NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26500 | 2kl8 | 16387 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -3.801 14.679 6.870 2 H2 MET 1 2H MET 1 -2.499 14.130 5.943 3 H3 MET 1 3H MET 1 -2.587 13.741 7.587 4 HA MET 1 HA MET 1 -4.529 12.405 7.243 5 HB2 MET 1 2HB MET 1 -5.451 13.717 5.351 6 HB3 MET 1 3HB MET 1 -4.181 13.089 4.309 7 HG2 MET 1 2HG MET 1 -5.052 10.816 4.621 8 HG3 MET 1 3HG MET 1 -6.324 11.449 5.663 9 HE1 MET 1 3HE MET 1 -4.859 11.316 2.051 10 HE2 MET 1 1HE MET 1 -4.912 13.058 2.313 11 HE3 MET 1 2HE MET 1 -5.993 12.309 1.138 12 H GLU 2 H GLU 2 -3.840 10.397 7.562 13 HA GLU 2 HA GLU 2 -1.437 9.450 6.142 14 HB2 GLU 2 2HB GLU 2 -2.717 8.470 8.711 15 HB3 GLU 2 3HB GLU 2 -1.283 7.771 7.974 16 HG2 GLU 2 2HG GLU 2 -0.615 9.179 9.793 17 HG3 GLU 2 3HG GLU 2 -0.110 9.927 8.280 18 H MET 3 H MET 3 -1.407 7.037 5.684 19 HA MET 3 HA MET 3 -4.062 5.916 5.141 20 HB2 MET 3 2HB MET 3 -3.444 7.165 3.115 21 HB3 MET 3 3HB MET 3 -1.937 6.267 3.009 22 HG2 MET 3 2HG MET 3 -3.153 4.210 2.619 23 HG3 MET 3 3HG MET 3 -4.689 5.053 2.826 24 HE1 MET 3 3HE MET 3 -4.114 3.252 0.328 25 HE2 MET 3 1HE MET 3 -4.666 4.267 -1.005 26 HE3 MET 3 2HE MET 3 -5.604 4.183 0.485 27 H ASP 4 H ASP 4 -4.059 3.936 6.014 28 HA ASP 4 HA ASP 4 -1.588 2.364 6.121 29 HB2 ASP 4 2HB ASP 4 -4.320 1.875 7.340 30 HB3 ASP 4 3HB ASP 4 -2.932 0.810 7.543 31 H ILE 5 H ILE 5 -1.215 1.402 4.168 32 HA ILE 5 HA ILE 5 -3.392 -0.077 2.859 33 HB ILE 5 HB ILE 5 -0.570 0.379 1.855 34 HG12 ILE 5 2HG1 ILE 5 -3.119 1.878 1.171 35 HG13 ILE 5 3HG1 ILE 5 -1.785 2.515 2.128 36 HG21 ILE 5 1HG2 ILE 5 -3.068 -0.582 0.447 37 HG22 ILE 5 2HG2 ILE 5 -1.661 -1.563 0.860 38 HG23 ILE 5 3HG2 ILE 5 -1.518 -0.267 -0.329 39 HD11 ILE 5 3HD1 ILE 5 -1.729 3.359 -0.144 40 HD12 ILE 5 1HD1 ILE 5 -1.649 1.711 -0.768 41 HD13 ILE 5 2HD1 ILE 5 -0.315 2.357 0.191 42 H ARG 6 H ARG 6 -3.649 -2.093 3.619 43 HA ARG 6 HA ARG 6 -1.336 -3.583 4.636 44 HB2 ARG 6 2HB ARG 6 -4.284 -4.211 4.939 45 HB3 ARG 6 3HB ARG 6 -2.952 -4.992 5.785 46 HG2 ARG 6 2HG ARG 6 -2.435 -2.854 6.902 47 HG3 ARG 6 3HG ARG 6 -3.808 -2.113 6.077 48 HD2 ARG 6 2HD ARG 6 -4.401 -2.757 8.361 49 HD3 ARG 6 3HD ARG 6 -5.329 -3.684 7.180 50 HE ARG 6 HE ARG 6 -3.122 -5.224 7.757 51 HH11 ARG 6 1HH1 ARG 6 -5.715 -3.888 9.595 52 HH12 ARG 6 2HH1 ARG 6 -5.692 -5.172 10.748 53 HH21 ARG 6 1HH2 ARG 6 -3.099 -6.837 9.218 54 HH22 ARG 6 2HH2 ARG 6 -4.234 -6.843 10.529 55 H PHE 7 H PHE 7 -0.368 -4.728 3.044 56 HA PHE 7 HA PHE 7 -1.959 -6.124 1.026 57 HB2 PHE 7 2HB PHE 7 1.012 -5.747 1.407 58 HB3 PHE 7 3HB PHE 7 0.368 -6.878 0.225 59 HD1 PHE 7 HD1 PHE 7 -1.017 -6.029 -1.667 60 HD2 PHE 7 HD2 PHE 7 1.073 -3.408 0.970 61 HE1 PHE 7 HE1 PHE 7 -1.201 -4.219 -3.322 62 HE2 PHE 7 HE2 PHE 7 0.885 -1.595 -0.685 63 HZ PHE 7 HZ PHE 7 -0.250 -2.002 -2.835 64 H ARG 8 H ARG 8 -2.553 -8.193 1.193 65 HA ARG 8 HA ARG 8 -1.057 -9.984 3.009 66 HB2 ARG 8 2HB ARG 8 -3.286 -9.236 3.931 67 HB3 ARG 8 3HB ARG 8 -4.058 -10.030 2.567 68 HG2 ARG 8 2HG ARG 8 -3.120 -12.181 3.305 69 HG3 ARG 8 3HG ARG 8 -2.388 -11.371 4.691 70 HD2 ARG 8 2HD ARG 8 -4.684 -10.654 5.390 71 HD3 ARG 8 3HD ARG 8 -5.336 -11.649 4.086 72 HE ARG 8 HE ARG 8 -4.229 -12.555 6.600 73 HH11 ARG 8 1HH1 ARG 8 -5.120 -13.456 3.392 74 HH12 ARG 8 2HH1 ARG 8 -5.281 -15.128 3.792 75 HH21 ARG 8 1HH2 ARG 8 -4.452 -14.699 7.098 76 HH22 ARG 8 2HH2 ARG 8 -4.907 -15.823 5.863 77 H GLY 9 H GLY 9 -0.245 -11.733 1.951 78 HA2 GLY 9 2HA GLY 9 -1.582 -12.667 -0.505 79 HA3 GLY 9 3HA GLY 9 0.074 -12.100 -0.629 80 H ASP 10 H ASP 10 0.195 -14.383 -1.529 81 HA ASP 10 HA ASP 10 0.435 -16.380 0.614 82 HB2 ASP 10 2HB ASP 10 0.498 -18.027 -1.323 83 HB3 ASP 10 3HB ASP 10 -1.019 -17.175 -1.060 84 H ASP 11 H ASP 11 2.295 -15.227 -2.248 85 HA ASP 11 HA ASP 11 4.694 -16.417 -1.036 86 HB2 ASP 11 2HB ASP 11 5.786 -16.095 -3.189 87 HB3 ASP 11 3HB ASP 11 4.265 -16.954 -3.396 88 H LEU 12 H LEU 12 6.663 -15.190 -0.824 89 HA LEU 12 HA LEU 12 6.253 -12.699 0.448 90 HB2 LEU 12 2HB LEU 12 8.058 -14.209 1.089 91 HB3 LEU 12 3HB LEU 12 8.820 -13.998 -0.478 92 HG LEU 12 HG LEU 12 9.137 -11.573 0.065 93 HD11 LEU 12 1HD1 LEU 12 8.194 -12.408 2.810 94 HD12 LEU 12 2HD1 LEU 12 7.366 -11.309 1.707 95 HD13 LEU 12 3HD1 LEU 12 8.921 -10.853 2.397 96 HD21 LEU 12 3HD2 LEU 12 10.399 -13.542 1.975 97 HD22 LEU 12 1HD2 LEU 12 11.002 -11.920 1.622 98 HD23 LEU 12 2HD2 LEU 12 10.965 -13.142 0.352 99 H GLU 13 H GLU 13 7.378 -13.526 -2.782 100 HA GLU 13 HA GLU 13 8.490 -11.067 -3.526 101 HB2 GLU 13 2HB GLU 13 7.192 -13.245 -5.175 102 HB3 GLU 13 3HB GLU 13 7.961 -11.837 -5.896 103 HG2 GLU 13 2HG GLU 13 9.427 -13.803 -5.880 104 HG3 GLU 13 3HG GLU 13 10.096 -12.457 -4.961 105 H ALA 14 H ALA 14 5.141 -12.161 -3.541 106 HA ALA 14 HA ALA 14 3.921 -10.067 -4.914 107 HB1 ALA 14 3HB ALA 14 2.845 -11.487 -2.469 108 HB2 ALA 14 1HB ALA 14 2.756 -12.099 -4.121 109 HB3 ALA 14 2HB ALA 14 1.902 -10.621 -3.683 110 H PHE 15 H PHE 15 4.780 -10.264 -1.461 111 HA PHE 15 HA PHE 15 3.928 -7.643 -0.759 112 HB2 PHE 15 2HB PHE 15 6.056 -9.373 0.543 113 HB3 PHE 15 3HB PHE 15 5.312 -7.953 1.267 114 HD1 PHE 15 HD1 PHE 15 3.036 -8.044 2.125 115 HD2 PHE 15 HD2 PHE 15 4.866 -11.473 0.388 116 HE1 PHE 15 HE1 PHE 15 1.295 -9.473 3.114 117 HE2 PHE 15 HE2 PHE 15 3.126 -12.905 1.372 118 HZ PHE 15 HZ PHE 15 1.339 -11.906 2.739 119 H GLU 16 H GLU 16 7.079 -8.992 -1.653 120 HA GLU 16 HA GLU 16 8.719 -6.787 -1.264 121 HB2 GLU 16 2HB GLU 16 9.577 -9.015 -1.726 122 HB3 GLU 16 3HB GLU 16 8.881 -8.990 -3.336 123 HG2 GLU 16 2HG GLU 16 11.192 -8.617 -3.594 124 HG3 GLU 16 3HG GLU 16 10.403 -7.064 -3.862 125 H LYS 17 H LYS 17 7.240 -7.795 -4.367 126 HA LYS 17 HA LYS 17 8.166 -5.550 -5.813 127 HB2 LYS 17 2HB LYS 17 5.841 -7.383 -6.450 128 HB3 LYS 17 3HB LYS 17 6.631 -6.296 -7.585 129 HG2 LYS 17 2HG LYS 17 7.945 -8.641 -6.207 130 HG3 LYS 17 3HG LYS 17 7.350 -8.625 -7.868 131 HD2 LYS 17 2HD LYS 17 8.953 -6.871 -8.442 132 HD3 LYS 17 3HD LYS 17 9.527 -6.829 -6.774 133 HE2 LYS 17 2HE LYS 17 10.321 -9.124 -6.966 134 HE3 LYS 17 3HE LYS 17 9.685 -9.230 -8.607 135 HZ1 LYS 17 3HZ LYS 17 11.841 -7.399 -7.697 136 HZ2 LYS 17 1HZ LYS 17 11.221 -7.481 -9.268 137 HZ3 LYS 17 2HZ LYS 17 12.053 -8.801 -8.614 138 H ALA 18 H ALA 18 4.949 -6.254 -4.398 139 HA ALA 18 HA ALA 18 3.633 -3.940 -5.265 140 HB1 ALA 18 3HB ALA 18 2.049 -4.350 -3.434 141 HB2 ALA 18 1HB ALA 18 3.173 -5.510 -2.725 142 HB3 ALA 18 2HB ALA 18 2.445 -5.833 -4.300 143 H LEU 19 H LEU 19 5.282 -4.503 -2.147 144 HA LEU 19 HA LEU 19 4.976 -1.945 -1.056 145 HB2 LEU 19 2HB LEU 19 5.720 -3.770 0.307 146 HB3 LEU 19 3HB LEU 19 7.132 -4.026 -0.698 147 HG LEU 19 HG LEU 19 8.037 -1.834 0.067 148 HD11 LEU 19 1HD1 LEU 19 5.682 -1.859 1.953 149 HD12 LEU 19 2HD1 LEU 19 5.950 -0.721 0.632 150 HD13 LEU 19 3HD1 LEU 19 7.045 -0.738 2.015 151 HD21 LEU 19 3HD2 LEU 19 7.375 -3.774 2.289 152 HD22 LEU 19 1HD2 LEU 19 8.679 -2.585 2.297 153 HD23 LEU 19 2HD2 LEU 19 8.714 -3.924 1.150 154 H LYS 20 H LYS 20 7.550 -3.240 -3.130 155 HA LYS 20 HA LYS 20 9.240 -0.975 -2.944 156 HB2 LYS 20 2HB LYS 20 9.813 -3.367 -3.644 157 HB3 LYS 20 3HB LYS 20 9.222 -2.924 -5.239 158 HG2 LYS 20 2HG LYS 20 11.000 -1.535 -5.667 159 HG3 LYS 20 3HG LYS 20 11.275 -1.176 -3.958 160 HD2 LYS 20 2HD LYS 20 12.082 -3.490 -3.645 161 HD3 LYS 20 3HD LYS 20 11.904 -3.770 -5.377 162 HE2 LYS 20 2HE LYS 20 13.563 -2.052 -5.845 163 HE3 LYS 20 3HE LYS 20 13.695 -1.684 -4.124 164 HZ1 LYS 20 3HZ LYS 20 14.431 -4.243 -5.439 165 HZ2 LYS 20 1HZ LYS 20 14.471 -3.969 -3.771 166 HZ3 LYS 20 2HZ LYS 20 15.496 -3.102 -4.793 167 H GLU 21 H GLU 21 6.627 -1.818 -5.176 168 HA GLU 21 HA GLU 21 7.060 0.349 -6.972 169 HB2 GLU 21 2HB GLU 21 4.616 -1.326 -6.385 170 HB3 GLU 21 3HB GLU 21 4.633 -0.065 -7.611 171 HG2 GLU 21 2HG GLU 21 6.411 -2.501 -7.559 172 HG3 GLU 21 3HG GLU 21 4.993 -2.272 -8.581 173 H MET 22 H MET 22 5.054 -0.008 -4.060 174 HA MET 22 HA MET 22 3.857 2.531 -4.091 175 HB2 MET 22 2HB MET 22 4.693 0.839 -1.720 176 HB3 MET 22 3HB MET 22 3.655 2.255 -1.616 177 HG2 MET 22 2HG MET 22 3.060 -0.325 -3.054 178 HG3 MET 22 3HG MET 22 2.303 0.270 -1.576 179 HE1 MET 22 3HE MET 22 2.009 3.405 -2.337 180 HE2 MET 22 1HE MET 22 0.748 2.484 -1.518 181 HE3 MET 22 2HE MET 22 0.359 3.427 -2.957 182 H ILE 23 H ILE 23 6.857 1.497 -2.436 183 HA ILE 23 HA ILE 23 7.726 4.012 -1.561 184 HB ILE 23 HB ILE 23 9.378 1.617 -2.414 185 HG12 ILE 23 2HG1 ILE 23 8.439 2.512 0.330 186 HG13 ILE 23 3HG1 ILE 23 7.791 1.153 -0.583 187 HG21 ILE 23 1HG2 ILE 23 10.758 3.628 -2.407 188 HG22 ILE 23 2HG2 ILE 23 11.192 2.570 -1.067 189 HG23 ILE 23 3HG2 ILE 23 10.220 4.013 -0.772 190 HD11 ILE 23 3HD1 ILE 23 9.315 0.425 1.171 191 HD12 ILE 23 1HD1 ILE 23 10.611 1.379 0.450 192 HD13 ILE 23 2HD1 ILE 23 9.931 0.009 -0.429 193 H ARG 24 H ARG 24 8.222 2.371 -4.642 194 HA ARG 24 HA ARG 24 10.082 3.918 -5.931 195 HB2 ARG 24 2HB ARG 24 9.012 1.852 -6.792 196 HB3 ARG 24 3HB ARG 24 7.546 2.761 -7.112 197 HG2 ARG 24 2HG ARG 24 8.779 4.123 -8.758 198 HG3 ARG 24 3HG ARG 24 10.219 3.140 -8.463 199 HD2 ARG 24 2HD ARG 24 8.897 1.124 -9.104 200 HD3 ARG 24 3HD ARG 24 7.556 2.185 -9.527 201 HE ARG 24 HE ARG 24 9.657 3.109 -11.013 202 HH11 ARG 24 1HH1 ARG 24 8.077 0.057 -10.635 203 HH12 ARG 24 2HH1 ARG 24 8.434 -0.442 -12.254 204 HH21 ARG 24 1HH2 ARG 24 10.074 2.451 -13.095 205 HH22 ARG 24 2HH2 ARG 24 9.542 0.891 -13.624 206 H GLN 25 H GLN 25 6.535 4.453 -6.195 207 HA GLN 25 HA GLN 25 6.891 7.057 -7.359 208 HB2 GLN 25 2HB GLN 25 4.424 5.672 -6.299 209 HB3 GLN 25 3HB GLN 25 4.405 7.255 -7.069 210 HG2 GLN 25 2HG GLN 25 5.407 6.195 -9.099 211 HG3 GLN 25 3HG GLN 25 5.186 4.627 -8.318 212 HE21 GLN 25 1HE2 GLN 25 3.090 3.846 -8.008 213 HE22 GLN 25 2HE2 GLN 25 1.746 4.487 -8.879 214 H ALA 26 H ALA 26 6.132 5.887 -4.109 215 HA ALA 26 HA ALA 26 5.140 8.219 -2.966 216 HB1 ALA 26 3HB ALA 26 5.702 7.245 -0.818 217 HB2 ALA 26 1HB ALA 26 6.800 6.105 -1.597 218 HB3 ALA 26 2HB ALA 26 5.064 6.009 -1.902 219 H ARG 27 H ARG 27 8.485 7.338 -3.602 220 HA ARG 27 HA ARG 27 9.779 9.221 -1.978 221 HB2 ARG 27 2HB ARG 27 10.593 8.040 -4.636 222 HB3 ARG 27 3HB ARG 27 11.652 9.054 -3.663 223 HG2 ARG 27 2HG ARG 27 11.503 7.424 -1.826 224 HG3 ARG 27 3HG ARG 27 10.479 6.400 -2.833 225 HD2 ARG 27 2HD ARG 27 12.837 5.670 -2.822 226 HD3 ARG 27 3HD ARG 27 12.273 6.114 -4.434 227 HE ARG 27 HE ARG 27 13.457 8.363 -3.280 228 HH11 ARG 27 1HH1 ARG 27 14.395 5.225 -4.348 229 HH12 ARG 27 2HH1 ARG 27 15.979 5.740 -4.809 230 HH21 ARG 27 1HH2 ARG 27 15.490 9.013 -3.863 231 HH22 ARG 27 2HH2 ARG 27 16.599 7.860 -4.521 232 H LYS 28 H LYS 28 8.128 9.657 -5.032 233 HA LYS 28 HA LYS 28 9.235 12.240 -5.615 234 HB2 LYS 28 2HB LYS 28 6.826 10.759 -6.681 235 HB3 LYS 28 3HB LYS 28 7.238 12.383 -7.210 236 HG2 LYS 28 2HG LYS 28 8.082 10.856 -8.826 237 HG3 LYS 28 3HG LYS 28 9.460 11.512 -7.944 238 HD2 LYS 28 2HD LYS 28 9.558 9.473 -6.582 239 HD3 LYS 28 3HD LYS 28 8.177 8.816 -7.464 240 HE2 LYS 28 2HE LYS 28 9.498 8.936 -9.552 241 HE3 LYS 28 3HE LYS 28 10.876 9.520 -8.621 242 HZ1 LYS 28 3HZ LYS 28 10.870 7.447 -7.385 243 HZ2 LYS 28 1HZ LYS 28 11.037 7.158 -9.041 244 HZ3 LYS 28 2HZ LYS 28 9.550 6.882 -8.283 245 H PHE 29 H PHE 29 6.894 11.162 -3.395 246 HA PHE 29 HA PHE 29 5.685 13.850 -3.199 247 HB2 PHE 29 2HB PHE 29 4.609 11.235 -2.102 248 HB3 PHE 29 3HB PHE 29 3.782 12.790 -2.106 249 HD1 PHE 29 HD1 PHE 29 3.287 13.851 -4.405 250 HD2 PHE 29 HD2 PHE 29 4.322 9.748 -3.880 251 HE1 PHE 29 HE1 PHE 29 2.312 13.323 -6.601 252 HE2 PHE 29 HE2 PHE 29 3.347 9.220 -6.074 253 HZ PHE 29 HZ PHE 29 2.341 11.007 -7.437 254 H ALA 30 H ALA 30 5.497 14.841 -1.142 255 HA ALA 30 HA ALA 30 7.626 14.206 0.692 256 HB1 ALA 30 3HB ALA 30 6.890 16.200 1.905 257 HB2 ALA 30 1HB ALA 30 5.458 16.300 0.881 258 HB3 ALA 30 2HB ALA 30 7.063 16.525 0.180 259 H GLY 31 H GLY 31 6.351 11.972 0.858 260 HA2 GLY 31 2HA GLY 31 4.804 12.078 3.383 261 HA3 GLY 31 3HA GLY 31 4.292 11.060 2.045 262 H THR 32 H THR 32 5.430 10.664 4.928 263 HA THR 32 HA THR 32 7.845 9.121 4.415 264 HB THR 32 HB THR 32 6.367 9.458 7.041 265 HG1 THR 32 HG1 THR 32 8.479 10.939 7.138 266 HG21 THR 32 3HG2 THR 32 7.967 7.570 6.965 267 HG22 THR 32 1HG2 THR 32 8.504 8.850 8.053 268 HG23 THR 32 2HG2 THR 32 9.235 8.687 6.457 269 H VAL 33 H VAL 33 7.799 7.031 3.853 270 HA VAL 33 HA VAL 33 5.331 5.504 4.192 271 HB VAL 33 HB VAL 33 7.843 4.782 2.664 272 HG11 VAL 33 1HG1 VAL 33 6.420 3.084 1.574 273 HG12 VAL 33 2HG1 VAL 33 5.101 3.506 2.665 274 HG13 VAL 33 3HG1 VAL 33 6.583 2.799 3.307 275 HG21 VAL 33 3HG2 VAL 33 6.774 6.756 1.720 276 HG22 VAL 33 1HG2 VAL 33 5.221 5.920 1.681 277 HG23 VAL 33 2HG2 VAL 33 6.545 5.368 0.657 278 H THR 34 H THR 34 5.133 4.480 6.084 279 HA THR 34 HA THR 34 7.428 2.920 7.123 280 HB THR 34 HB THR 34 6.445 3.003 9.324 281 HG1 THR 34 HG1 THR 34 4.278 4.477 8.196 282 HG21 THR 34 3HG2 THR 34 6.424 5.421 9.794 283 HG22 THR 34 1HG2 THR 34 6.326 5.748 8.062 284 HG23 THR 34 2HG2 THR 34 7.759 4.969 8.733 285 H TYR 35 H TYR 35 6.968 0.737 7.886 286 HA TYR 35 HA TYR 35 4.331 -0.355 7.442 287 HB2 TYR 35 2HB TYR 35 5.050 -2.088 5.818 288 HB3 TYR 35 3HB TYR 35 5.123 -0.456 5.169 289 HD1 TYR 35 HD2 TYR 35 7.298 0.609 4.715 290 HD2 TYR 35 HD1 TYR 35 7.057 -3.408 6.113 291 HE1 TYR 35 HE2 TYR 35 9.626 0.230 4.021 292 HE2 TYR 35 HE1 TYR 35 9.381 -3.797 5.421 293 HH TYR 35 HH TYR 35 11.478 -1.244 4.509 294 H THR 36 H THR 36 3.952 -2.346 8.371 295 HA THR 36 HA THR 36 6.191 -3.642 9.807 296 HB THR 36 HB THR 36 4.624 -4.180 11.662 297 HG1 THR 36 HG1 THR 36 2.567 -3.712 11.467 298 HG21 THR 36 3HG2 THR 36 6.117 -2.251 11.889 299 HG22 THR 36 1HG2 THR 36 4.572 -1.938 12.683 300 HG23 THR 36 2HG2 THR 36 4.920 -1.217 11.111 301 H LEU 37 H LEU 37 6.380 -5.758 9.332 302 HA LEU 37 HA LEU 37 4.169 -7.096 7.932 303 HB2 LEU 37 2HB LEU 37 6.385 -7.105 6.863 304 HB3 LEU 37 3HB LEU 37 7.062 -7.920 8.260 305 HG LEU 37 HG LEU 37 5.661 -9.894 7.791 306 HD11 LEU 37 1HD1 LEU 37 4.423 -10.067 5.692 307 HD12 LEU 37 2HD1 LEU 37 4.797 -8.382 5.326 308 HD13 LEU 37 3HD1 LEU 37 3.776 -8.780 6.709 309 HD21 LEU 37 3HD2 LEU 37 7.303 -8.972 5.427 310 HD22 LEU 37 1HD2 LEU 37 6.835 -10.638 5.769 311 HD23 LEU 37 2HD2 LEU 37 7.920 -9.785 6.868 312 H ASP 38 H ASP 38 2.767 -7.884 9.426 313 HA ASP 38 HA ASP 38 3.838 -9.400 11.717 314 HB2 ASP 38 2HB ASP 38 2.377 -7.439 12.210 315 HB3 ASP 38 3HB ASP 38 1.065 -8.235 11.348 316 H GLY 39 H GLY 39 3.956 -11.521 11.250 317 HA2 GLY 39 2HA GLY 39 3.406 -13.633 10.501 318 HA3 GLY 39 3HA GLY 39 1.727 -13.139 10.670 319 H ASN 40 H ASN 40 0.565 -13.197 8.829 320 HA ASN 40 HA ASN 40 1.970 -12.686 6.282 321 HB2 ASN 40 2HB ASN 40 0.981 -14.983 6.528 322 HB3 ASN 40 3HB ASN 40 -0.608 -14.233 6.639 323 HD21 ASN 40 1HD2 ASN 40 0.507 -16.089 4.669 324 HD22 ASN 40 2HD2 ASN 40 0.324 -15.317 3.136 325 H ASP 41 H ASP 41 1.624 -10.420 7.005 326 HA ASP 41 HA ASP 41 -0.337 -9.199 5.404 327 HB2 ASP 41 2HB ASP 41 -1.813 -9.921 7.308 328 HB3 ASP 41 3HB ASP 41 -0.861 -8.898 8.380 329 H LEU 42 H LEU 42 0.618 -7.391 4.748 330 HA LEU 42 HA LEU 42 2.725 -6.184 6.413 331 HB2 LEU 42 2HB LEU 42 3.427 -7.032 4.218 332 HB3 LEU 42 3HB LEU 42 2.241 -6.007 3.432 333 HG LEU 42 HG LEU 42 3.458 -4.003 4.246 334 HD11 LEU 42 1HD1 LEU 42 4.479 -4.923 6.241 335 HD12 LEU 42 2HD1 LEU 42 5.721 -4.268 5.175 336 HD13 LEU 42 3HD1 LEU 42 5.466 -6.011 5.265 337 HD21 LEU 42 3HD2 LEU 42 5.131 -5.962 2.662 338 HD22 LEU 42 1HD2 LEU 42 5.392 -4.219 2.740 339 HD23 LEU 42 2HD2 LEU 42 3.917 -4.858 2.016 340 H GLU 43 H GLU 43 1.751 -4.640 7.633 341 HA GLU 43 HA GLU 43 -0.279 -2.890 6.516 342 HB2 GLU 43 2HB GLU 43 1.027 -2.916 9.253 343 HB3 GLU 43 3HB GLU 43 -0.356 -1.926 8.796 344 HG2 GLU 43 2HG GLU 43 -1.650 -3.984 8.360 345 HG3 GLU 43 3HG GLU 43 -0.271 -4.943 8.894 346 H ILE 44 H ILE 44 0.478 -1.375 5.132 347 HA ILE 44 HA ILE 44 2.993 0.028 5.724 348 HB ILE 44 HB ILE 44 1.304 0.167 3.214 349 HG12 ILE 44 2HG1 ILE 44 3.794 -1.494 3.720 350 HG13 ILE 44 3HG1 ILE 44 2.154 -2.134 3.660 351 HG21 ILE 44 1HG2 ILE 44 3.353 1.074 2.187 352 HG22 ILE 44 2HG2 ILE 44 4.148 1.034 3.761 353 HG23 ILE 44 3HG2 ILE 44 2.762 2.093 3.500 354 HD11 ILE 44 3HD1 ILE 44 1.965 -1.450 1.330 355 HD12 ILE 44 1HD1 ILE 44 3.343 -2.522 1.579 356 HD13 ILE 44 2HD1 ILE 44 3.598 -0.788 1.387 357 H ARG 45 H ARG 45 2.695 1.804 6.995 358 HA ARG 45 HA ARG 45 0.350 3.510 6.537 359 HB2 ARG 45 2HB ARG 45 0.595 3.011 8.842 360 HB3 ARG 45 3HB ARG 45 2.320 3.351 8.816 361 HG2 ARG 45 2HG ARG 45 1.991 5.667 8.757 362 HG3 ARG 45 3HG ARG 45 0.314 5.510 8.232 363 HD2 ARG 45 2HD ARG 45 1.320 4.607 10.931 364 HD3 ARG 45 3HD ARG 45 0.623 6.202 10.629 365 HE ARG 45 HE ARG 45 -1.142 4.230 9.684 366 HH11 ARG 45 1HH1 ARG 45 0.063 5.428 12.686 367 HH12 ARG 45 2HH1 ARG 45 -1.394 5.059 13.535 368 HH21 ARG 45 1HH2 ARG 45 -2.992 3.775 10.756 369 HH22 ARG 45 2HH2 ARG 45 -3.114 4.106 12.453 370 H ILE 46 H ILE 46 0.698 4.879 4.894 371 HA ILE 46 HA ILE 46 3.232 6.329 4.686 372 HB ILE 46 HB ILE 46 0.767 6.576 2.937 373 HG12 ILE 46 2HG1 ILE 46 3.293 4.944 2.516 374 HG13 ILE 46 3HG1 ILE 46 1.698 4.290 2.864 375 HG21 ILE 46 1HG2 ILE 46 3.618 7.510 2.528 376 HG22 ILE 46 2HG2 ILE 46 2.207 8.531 2.822 377 HG23 ILE 46 3HG2 ILE 46 2.328 7.609 1.325 378 HD11 ILE 46 3HD1 ILE 46 0.878 5.192 0.738 379 HD12 ILE 46 1HD1 ILE 46 2.221 4.070 0.518 380 HD13 ILE 46 2HD1 ILE 46 2.494 5.807 0.388 381 H THR 47 H THR 47 3.491 8.068 5.919 382 HA THR 47 HA THR 47 1.176 9.506 6.977 383 HB THR 47 HB THR 47 4.117 9.767 7.675 384 HG1 THR 47 HG1 THR 47 3.715 8.351 9.261 385 HG21 THR 47 3HG2 THR 47 2.872 11.821 8.187 386 HG22 THR 47 1HG2 THR 47 3.329 10.976 9.667 387 HG23 THR 47 2HG2 THR 47 1.671 10.880 9.073 388 H GLY 48 H GLY 48 0.454 11.303 6.017 389 HA2 GLY 48 2HA GLY 48 0.669 13.570 5.408 390 HA3 GLY 48 3HA GLY 48 2.376 13.314 5.103 391 H VAL 49 H VAL 49 -0.782 12.206 3.818 392 HA VAL 49 HA VAL 49 0.291 12.682 1.104 393 HB VAL 49 HB VAL 49 -1.297 10.911 0.295 394 HG11 VAL 49 1HG1 VAL 49 0.834 10.008 2.237 395 HG12 VAL 49 2HG1 VAL 49 1.089 10.460 0.552 396 HG13 VAL 49 3HG1 VAL 49 0.134 9.032 0.946 397 HG21 VAL 49 3HG2 VAL 49 -2.121 9.258 1.927 398 HG22 VAL 49 1HG2 VAL 49 -2.826 10.854 2.195 399 HG23 VAL 49 2HG2 VAL 49 -1.531 10.273 3.245 400 HA PRO 50 HA PRO 50 -3.279 15.374 0.663 401 HB2 PRO 50 2HB PRO 50 -2.941 16.047 -1.927 402 HB3 PRO 50 3HB PRO 50 -1.873 16.655 -0.659 403 HG2 PRO 50 2HG PRO 50 -1.423 14.418 -2.597 404 HG3 PRO 50 3HG PRO 50 -0.296 15.675 -2.058 405 HD2 PRO 50 2HD PRO 50 -0.332 13.110 -1.061 406 HD3 PRO 50 3HD PRO 50 0.277 14.514 -0.162 407 H GLU 51 H GLU 51 -5.364 15.321 -0.287 408 HA GLU 51 HA GLU 51 -6.390 12.742 -0.677 409 HB2 GLU 51 2HB GLU 51 -8.528 13.858 -1.211 410 HB3 GLU 51 3HB GLU 51 -7.767 14.490 0.241 411 HG2 GLU 51 2HG GLU 51 -6.937 16.413 -1.056 412 HG3 GLU 51 3HG GLU 51 -7.770 15.789 -2.480 413 H GLN 52 H GLN 52 -5.351 15.123 -3.065 414 HA GLN 52 HA GLN 52 -6.541 13.927 -5.328 415 HB2 GLN 52 2HB GLN 52 -4.869 15.157 -6.659 416 HB3 GLN 52 3HB GLN 52 -5.614 16.177 -5.435 417 HG2 GLN 52 2HG GLN 52 -3.647 15.984 -4.028 418 HG3 GLN 52 3HG GLN 52 -2.904 14.876 -5.179 419 HE21 GLN 52 1HE2 GLN 52 -1.971 17.472 -4.193 420 HE22 GLN 52 2HE2 GLN 52 -1.740 18.452 -5.594 421 H VAL 53 H VAL 53 -3.349 13.400 -3.846 422 HA VAL 53 HA VAL 53 -2.569 11.406 -5.767 423 HB VAL 53 HB VAL 53 -1.329 12.096 -3.088 424 HG11 VAL 53 1HG1 VAL 53 -0.201 10.513 -5.403 425 HG12 VAL 53 2HG1 VAL 53 -0.668 9.870 -3.827 426 HG13 VAL 53 3HG1 VAL 53 0.687 10.994 -3.954 427 HG21 VAL 53 3HG2 VAL 53 -0.650 13.043 -5.878 428 HG22 VAL 53 1HG2 VAL 53 0.314 13.364 -4.434 429 HG23 VAL 53 2HG2 VAL 53 -1.320 14.016 -4.567 430 H ARG 54 H ARG 54 -4.131 11.416 -2.636 431 HA ARG 54 HA ARG 54 -3.912 8.822 -1.758 432 HB2 ARG 54 2HB ARG 54 -5.161 10.567 -0.564 433 HB3 ARG 54 3HB ARG 54 -6.410 10.539 -1.800 434 HG2 ARG 54 2HG ARG 54 -6.910 8.183 -1.182 435 HG3 ARG 54 3HG ARG 54 -5.727 8.311 0.122 436 HD2 ARG 54 2HD ARG 54 -7.951 8.666 1.005 437 HD3 ARG 54 3HD ARG 54 -7.035 10.170 1.095 438 HE ARG 54 HE ARG 54 -8.831 9.745 -1.182 439 HH11 ARG 54 1HH1 ARG 54 -8.148 11.419 1.761 440 HH12 ARG 54 2HH1 ARG 54 -9.344 12.633 1.464 441 HH21 ARG 54 1HH2 ARG 54 -10.346 11.327 -1.539 442 HH22 ARG 54 2HH2 ARG 54 -10.561 12.586 -0.370 443 H LYS 55 H LYS 55 -6.038 10.051 -4.299 444 HA LYS 55 HA LYS 55 -7.459 7.706 -4.892 445 HB2 LYS 55 2HB LYS 55 -6.622 9.861 -6.848 446 HB3 LYS 55 3HB LYS 55 -8.002 8.780 -6.997 447 HG2 LYS 55 2HG LYS 55 -9.116 9.850 -5.154 448 HG3 LYS 55 3HG LYS 55 -7.691 10.831 -4.807 449 HD2 LYS 55 2HD LYS 55 -7.931 11.829 -7.103 450 HD3 LYS 55 3HD LYS 55 -9.468 10.971 -7.246 451 HE2 LYS 55 2HE LYS 55 -8.781 13.006 -5.115 452 HE3 LYS 55 3HE LYS 55 -9.769 13.312 -6.544 453 HZ1 LYS 55 3HZ LYS 55 -11.349 11.659 -5.743 454 HZ2 LYS 55 1HZ LYS 55 -11.142 12.905 -4.619 455 HZ3 LYS 55 2HZ LYS 55 -10.408 11.404 -4.361 456 H GLU 56 H GLU 56 -4.499 9.007 -6.378 457 HA GLU 56 HA GLU 56 -4.148 6.989 -8.301 458 HB2 GLU 56 2HB GLU 56 -2.113 8.839 -7.032 459 HB3 GLU 56 3HB GLU 56 -1.832 7.885 -8.484 460 HG2 GLU 56 2HG GLU 56 -3.539 9.108 -9.680 461 HG3 GLU 56 3HG GLU 56 -3.979 9.987 -8.217 462 H LEU 57 H LEU 57 -2.729 7.331 -5.048 463 HA LEU 57 HA LEU 57 -1.124 4.993 -5.192 464 HB2 LEU 57 2HB LEU 57 -2.218 6.435 -2.767 465 HB3 LEU 57 3HB LEU 57 -0.987 5.186 -2.720 466 HG LEU 57 HG LEU 57 -0.701 7.892 -4.043 467 HD11 LEU 57 1HD1 LEU 57 -0.698 8.013 -1.602 468 HD12 LEU 57 2HD1 LEU 57 0.902 8.352 -2.264 469 HD13 LEU 57 3HD1 LEU 57 0.565 6.780 -1.538 470 HD21 LEU 57 3HD2 LEU 57 0.559 6.173 -5.238 471 HD22 LEU 57 1HD2 LEU 57 1.296 5.647 -3.723 472 HD23 LEU 57 2HD2 LEU 57 1.648 7.252 -4.367 473 H ALA 58 H ALA 58 -4.364 5.570 -3.832 474 HA ALA 58 HA ALA 58 -4.771 2.992 -2.770 475 HB1 ALA 58 3HB ALA 58 -6.153 4.927 -2.157 476 HB2 ALA 58 1HB ALA 58 -7.138 3.566 -2.698 477 HB3 ALA 58 2HB ALA 58 -6.856 4.935 -3.776 478 H LYS 59 H LYS 59 -5.441 4.343 -5.968 479 HA LYS 59 HA LYS 59 -6.857 2.056 -6.912 480 HB2 LYS 59 2HB LYS 59 -7.161 4.333 -7.829 481 HB3 LYS 59 3HB LYS 59 -5.548 4.255 -8.523 482 HG2 LYS 59 2HG LYS 59 -6.165 2.764 -10.157 483 HG3 LYS 59 3HG LYS 59 -7.495 2.100 -9.205 484 HD2 LYS 59 2HD LYS 59 -7.438 4.821 -10.526 485 HD3 LYS 59 3HD LYS 59 -8.333 3.408 -11.092 486 HE2 LYS 59 2HE LYS 59 -8.774 4.942 -8.524 487 HE3 LYS 59 3HE LYS 59 -9.852 4.865 -9.919 488 HZ1 LYS 59 3HZ LYS 59 -10.136 2.487 -9.495 489 HZ2 LYS 59 1HZ LYS 59 -10.625 3.414 -8.169 490 HZ3 LYS 59 2HZ LYS 59 -9.147 2.597 -8.129 491 H GLU 60 H GLU 60 -3.446 3.049 -7.094 492 HA GLU 60 HA GLU 60 -2.730 0.884 -8.824 493 HB2 GLU 60 2HB GLU 60 -1.297 2.894 -8.605 494 HB3 GLU 60 3HB GLU 60 -0.902 2.414 -6.956 495 HG2 GLU 60 2HG GLU 60 0.344 0.572 -7.649 496 HG3 GLU 60 3HG GLU 60 -0.416 0.527 -9.236 497 H ALA 61 H ALA 61 -2.944 1.263 -5.323 498 HA ALA 61 HA ALA 61 -1.873 -1.176 -4.495 499 HB1 ALA 61 3HB ALA 61 -2.639 0.565 -2.938 500 HB2 ALA 61 1HB ALA 61 -3.348 -1.003 -2.551 501 HB3 ALA 61 2HB ALA 61 -4.312 0.222 -3.377 502 H GLU 62 H GLU 62 -5.182 -0.448 -5.622 503 HA GLU 62 HA GLU 62 -6.246 -3.038 -5.607 504 HB2 GLU 62 2HB GLU 62 -6.760 -0.874 -7.671 505 HB3 GLU 62 3HB GLU 62 -7.798 -2.253 -7.342 506 HG2 GLU 62 2HG GLU 62 -8.210 -1.372 -5.076 507 HG3 GLU 62 3HG GLU 62 -7.211 0.030 -5.460 508 H ARG 63 H ARG 63 -4.541 -1.319 -8.194 509 HA ARG 63 HA ARG 63 -4.511 -3.231 -10.199 510 HB2 ARG 63 2HB ARG 63 -3.757 -0.837 -10.333 511 HB3 ARG 63 3HB ARG 63 -2.273 -1.306 -9.522 512 HG2 ARG 63 2HG ARG 63 -1.876 -1.108 -11.882 513 HG3 ARG 63 3HG ARG 63 -1.744 -2.803 -11.414 514 HD2 ARG 63 2HD ARG 63 -3.796 -3.358 -12.415 515 HD3 ARG 63 3HD ARG 63 -4.314 -1.673 -12.487 516 HE ARG 63 HE ARG 63 -2.390 -1.441 -14.152 517 HH11 ARG 63 1HH1 ARG 63 -4.145 -4.371 -13.755 518 HH12 ARG 63 2HH1 ARG 63 -3.987 -4.818 -15.415 519 HH21 ARG 63 1HH2 ARG 63 -2.171 -2.020 -16.265 520 HH22 ARG 63 2HH2 ARG 63 -2.887 -3.489 -16.835 521 H LEU 64 H LEU 64 -2.063 -2.743 -7.644 522 HA LEU 64 HA LEU 64 -0.343 -4.853 -8.271 523 HB2 LEU 64 2HB LEU 64 -1.038 -3.658 -5.578 524 HB3 LEU 64 3HB LEU 64 0.318 -4.737 -5.858 525 HG LEU 64 HG LEU 64 0.001 -2.054 -7.222 526 HD11 LEU 64 1HD1 LEU 64 1.689 -2.754 -4.816 527 HD12 LEU 64 2HD1 LEU 64 0.230 -1.764 -4.795 528 HD13 LEU 64 3HD1 LEU 64 1.661 -1.204 -5.659 529 HD21 LEU 64 3HD2 LEU 64 2.354 -3.934 -6.989 530 HD22 LEU 64 1HD2 LEU 64 2.375 -2.344 -7.754 531 HD23 LEU 64 2HD2 LEU 64 1.396 -3.639 -8.442 532 H ALA 65 H ALA 65 -3.083 -4.799 -5.985 533 HA ALA 65 HA ALA 65 -2.971 -7.486 -5.191 534 HB1 ALA 65 3HB ALA 65 -5.398 -5.699 -5.366 535 HB2 ALA 65 1HB ALA 65 -4.278 -5.792 -4.007 536 HB3 ALA 65 2HB ALA 65 -5.271 -7.187 -4.427 537 H LYS 66 H LYS 66 -4.268 -6.044 -8.097 538 HA LYS 66 HA LYS 66 -5.790 -8.330 -8.916 539 HB2 LYS 66 2HB LYS 66 -4.792 -5.903 -10.415 540 HB3 LYS 66 3HB LYS 66 -5.740 -7.171 -11.183 541 HG2 LYS 66 2HG LYS 66 -6.656 -5.531 -8.818 542 HG3 LYS 66 3HG LYS 66 -7.092 -5.219 -10.501 543 HD2 LYS 66 2HD LYS 66 -8.132 -7.460 -10.624 544 HD3 LYS 66 3HD LYS 66 -7.730 -7.727 -8.925 545 HE2 LYS 66 2HE LYS 66 -9.470 -5.464 -9.918 546 HE3 LYS 66 3HE LYS 66 -10.093 -7.007 -9.337 547 HZ1 LYS 66 3HZ LYS 66 -8.416 -5.160 -7.730 548 HZ2 LYS 66 1HZ LYS 66 -9.148 -6.583 -7.186 549 HZ3 LYS 66 2HZ LYS 66 -10.099 -5.256 -7.631 550 H GLU 67 H GLU 67 -2.711 -6.984 -10.221 551 HA GLU 67 HA GLU 67 -2.110 -9.164 -11.867 552 HB2 GLU 67 2HB GLU 67 -0.488 -6.953 -10.680 553 HB3 GLU 67 3HB GLU 67 0.370 -8.302 -11.408 554 HG2 GLU 67 2HG GLU 67 0.117 -6.523 -13.012 555 HG3 GLU 67 3HG GLU 67 -0.821 -7.924 -13.519 556 H PHE 68 H PHE 68 -1.381 -8.705 -8.434 557 HA PHE 68 HA PHE 68 0.051 -11.258 -8.358 558 HB2 PHE 68 2HB PHE 68 -0.502 -9.243 -6.167 559 HB3 PHE 68 3HB PHE 68 0.460 -10.704 -5.970 560 HD1 PHE 68 HD1 PHE 68 2.422 -10.955 -7.743 561 HD2 PHE 68 HD2 PHE 68 0.614 -7.271 -6.603 562 HE1 PHE 68 HE1 PHE 68 4.430 -9.740 -8.479 563 HE2 PHE 68 HE2 PHE 68 2.618 -6.055 -7.340 564 HZ PHE 68 HZ PHE 68 4.531 -7.290 -8.281 565 H ASN 69 H ASN 69 -3.132 -10.277 -8.171 566 HA ASN 69 HA ASN 69 -5.084 -11.212 -7.494 567 HB2 ASN 69 2HB ASN 69 -4.104 -13.087 -8.844 568 HB3 ASN 69 3HB ASN 69 -3.504 -13.792 -7.348 569 HD21 ASN 69 1HD2 ASN 69 -4.905 -14.883 -6.033 570 HD22 ASN 69 2HD2 ASN 69 -6.550 -15.197 -6.446 571 H ILE 70 H ILE 70 -2.964 -10.401 -5.426 572 HA ILE 70 HA ILE 70 -3.641 -12.038 -3.115 573 HB ILE 70 HB ILE 70 -2.080 -10.607 -1.869 574 HG12 ILE 70 2HG1 ILE 70 -1.727 -9.137 -4.502 575 HG13 ILE 70 3HG1 ILE 70 -2.478 -8.484 -3.051 576 HG21 ILE 70 1HG2 ILE 70 -0.026 -11.277 -3.038 577 HG22 ILE 70 2HG2 ILE 70 -0.969 -11.623 -4.488 578 HG23 ILE 70 3HG2 ILE 70 -1.225 -12.571 -3.023 579 HD11 ILE 70 3HD1 ILE 70 0.405 -9.303 -3.332 580 HD12 ILE 70 1HD1 ILE 70 -0.347 -8.668 -1.868 581 HD13 ILE 70 2HD1 ILE 70 -0.220 -7.654 -3.305 582 H THR 71 H THR 71 -4.014 -10.686 -1.008 583 HA THR 71 HA THR 71 -6.477 -9.170 -1.426 584 HB THR 71 HB THR 71 -5.194 -10.037 1.185 585 HG1 THR 71 HG1 THR 71 -6.098 -11.935 0.900 586 HG21 THR 71 3HG2 THR 71 -6.816 -8.218 1.447 587 HG22 THR 71 1HG2 THR 71 -7.446 -9.722 2.120 588 HG23 THR 71 2HG2 THR 71 -8.019 -9.149 0.554 589 H VAL 72 H VAL 72 -6.735 -7.004 -0.958 590 HA VAL 72 HA VAL 72 -4.553 -5.615 0.445 591 HB VAL 72 HB VAL 72 -4.246 -5.227 -1.985 592 HG11 VAL 72 1HG1 VAL 72 -6.947 -3.876 -1.853 593 HG12 VAL 72 2HG1 VAL 72 -6.571 -5.368 -2.715 594 HG13 VAL 72 3HG1 VAL 72 -5.842 -3.845 -3.229 595 HG21 VAL 72 3HG2 VAL 72 -3.488 -3.546 -0.394 596 HG22 VAL 72 1HG2 VAL 72 -5.078 -2.782 -0.413 597 HG23 VAL 72 2HG2 VAL 72 -4.077 -2.774 -1.865 598 H THR 73 H THR 73 -5.277 -4.441 2.097 599 HA THR 73 HA THR 73 -7.977 -3.238 1.935 600 HB THR 73 HB THR 73 -8.254 -3.594 4.382 601 HG1 THR 73 HG1 THR 73 -6.033 -5.376 4.197 602 HG21 THR 73 3HG2 THR 73 -8.706 -6.023 4.294 603 HG22 THR 73 1HG2 THR 73 -7.797 -6.124 2.785 604 HG23 THR 73 2HG2 THR 73 -9.292 -5.187 2.855 605 H TYR 74 H TYR 74 -7.896 -1.081 2.122 606 HA TYR 74 HA TYR 74 -5.533 0.108 3.434 607 HB2 TYR 74 2HB TYR 74 -5.794 1.993 1.733 608 HB3 TYR 74 3HB TYR 74 -5.174 0.462 1.131 609 HD1 TYR 74 HD2 TYR 74 -6.637 -1.018 -0.231 610 HD2 TYR 74 HD1 TYR 74 -7.882 2.892 0.921 611 HE1 TYR 74 HE2 TYR 74 -8.391 -1.074 -1.952 612 HE2 TYR 74 HE1 TYR 74 -9.641 2.843 -0.798 613 HH TYR 74 HH TYR 74 -10.106 1.676 -2.936 614 H THR 75 H THR 75 -6.031 1.238 5.182 615 HA THR 75 HA THR 75 -8.725 2.387 5.469 616 HB THR 75 HB THR 75 -6.552 2.040 7.561 617 HG1 THR 75 HG1 THR 75 -7.392 0.129 7.911 618 HG21 THR 75 3HG2 THR 75 -8.048 3.900 8.108 619 HG22 THR 75 1HG2 THR 75 -8.333 2.536 9.188 620 HG23 THR 75 2HG2 THR 75 -9.451 2.861 7.863 621 H ILE 76 H ILE 76 -8.984 4.469 4.955 622 HA ILE 76 HA ILE 76 -6.725 6.269 4.724 623 HB ILE 76 HB ILE 76 -9.675 6.869 4.385 624 HG12 ILE 76 2HG1 ILE 76 -8.979 5.099 2.837 625 HG13 ILE 76 3HG1 ILE 76 -9.271 6.597 1.961 626 HG21 ILE 76 1HG2 ILE 76 -7.223 8.381 3.464 627 HG22 ILE 76 2HG2 ILE 76 -8.344 8.878 4.732 628 HG23 ILE 76 3HG2 ILE 76 -8.889 8.793 3.058 629 HD11 ILE 76 3HD1 ILE 76 -6.577 5.495 2.734 630 HD12 ILE 76 1HD1 ILE 76 -6.863 7.001 1.859 631 HD13 ILE 76 2HD1 ILE 76 -7.303 5.458 1.127 632 H ARG 77 H ARG 77 -5.922 7.252 6.511 633 HA ARG 77 HA ARG 77 -7.526 7.609 8.889 634 HB2 ARG 77 2HB ARG 77 -4.726 8.625 8.340 635 HB3 ARG 77 3HB ARG 77 -5.495 8.466 9.914 636 HG2 ARG 77 2HG ARG 77 -4.717 6.216 8.059 637 HG3 ARG 77 3HG ARG 77 -3.920 6.664 9.567 638 HD2 ARG 77 2HD ARG 77 -6.773 5.689 9.327 639 HD3 ARG 77 3HD ARG 77 -5.396 4.698 9.808 640 HE ARG 77 HE ARG 77 -5.181 6.364 11.711 641 HH11 ARG 77 1HH1 ARG 77 -8.213 5.658 10.234 642 HH12 ARG 77 2HH1 ARG 77 -9.106 5.956 11.679 643 HH21 ARG 77 1HH2 ARG 77 -6.339 6.732 13.549 644 HH22 ARG 77 2HH2 ARG 77 -8.056 6.534 13.543 645 H LEU 78 H LEU 78 -9.061 9.156 8.777 646 HA LEU 78 HA LEU 78 -8.716 11.506 7.144 647 HB2 LEU 78 2HB LEU 78 -10.978 10.672 8.961 648 HB3 LEU 78 3HB LEU 78 -11.024 12.048 7.876 649 HG LEU 78 HG LEU 78 -10.767 9.152 7.031 650 HD11 LEU 78 1HD1 LEU 78 -13.093 11.063 6.802 651 HD12 LEU 78 2HD1 LEU 78 -12.986 9.691 7.905 652 HD13 LEU 78 3HD1 LEU 78 -13.031 9.420 6.164 653 HD21 LEU 78 3HD2 LEU 78 -11.086 10.021 4.752 654 HD22 LEU 78 1HD2 LEU 78 -9.602 10.629 5.487 655 HD23 LEU 78 2HD2 LEU 78 -11.022 11.669 5.379 656 H GLU 79 H GLU 79 -8.120 13.480 7.742 657 HA GLU 79 HA GLU 79 -7.293 14.173 10.354 658 HB2 GLU 79 2HB GLU 79 -6.448 15.254 8.291 659 HB3 GLU 79 3HB GLU 79 -8.030 15.974 8.027 660 HG2 GLU 79 2HG GLU 79 -7.789 17.249 10.106 661 HG3 GLU 79 3HG GLU 79 -6.201 16.529 10.361 662 H HIS 80 H HIS 80 -8.546 14.627 12.077 663 HA HIS 80 HA HIS 80 -11.345 15.430 11.587 664 HB2 HIS 80 2HB HIS 80 -11.906 14.043 13.637 665 HB3 HIS 80 3HB HIS 80 -11.437 13.145 12.199 666 HD1 HIS 80 HD1 HIS 80 -9.108 11.968 12.238 667 HD2 HIS 80 HD2 HIS 80 -10.205 13.742 15.835 668 HE1 HIS 80 HE1 HIS 80 -7.535 11.035 13.956 669 HE2 HIS 80 HE2 HIS 80 -8.252 12.073 16.132 670 H HIS 81 H HIS 81 -12.447 16.251 13.601 671 HA HIS 81 HA HIS 81 -10.944 17.564 15.634 672 HB2 HIS 81 2HB HIS 81 -10.270 19.091 13.889 673 HB3 HIS 81 3HB HIS 81 -11.921 19.230 13.296 674 HD1 HIS 81 HD1 HIS 81 -13.382 20.999 14.341 675 HD2 HIS 81 HD2 HIS 81 -9.800 20.473 16.380 676 HE1 HIS 81 HE1 HIS 81 -13.283 22.866 16.014 677 HE2 HIS 81 HE2 HIS 81 -11.063 22.590 17.164 678 H HIS 82 H HIS 82 -12.342 17.425 17.295 679 HA HIS 82 HA HIS 82 -15.125 17.077 17.049 680 HB2 HIS 82 2HB HIS 82 -13.781 16.382 19.025 681 HB3 HIS 82 3HB HIS 82 -13.570 18.074 19.458 682 HD1 HIS 82 HD1 HIS 82 -15.417 19.171 20.778 683 HD2 HIS 82 HD2 HIS 82 -16.481 15.415 19.348 684 HE1 HIS 82 HE1 HIS 82 -17.588 18.610 21.903 685 HE2 HIS 82 HE2 HIS 82 -18.270 16.393 20.939 686 H HIS 83 H HIS 83 -16.117 18.660 15.834 687 HA HIS 83 HA HIS 83 -15.607 21.421 16.008 688 HB2 HIS 83 2HB HIS 83 -17.706 21.696 14.703 689 HB3 HIS 83 3HB HIS 83 -16.610 20.502 14.022 690 HD1 HIS 83 HD1 HIS 83 -18.702 19.535 12.754 691 HD2 HIS 83 HD2 HIS 83 -18.863 19.174 16.889 692 HE1 HIS 83 HE1 HIS 83 -20.544 17.896 13.213 693 HE2 HIS 83 HE2 HIS 83 -20.513 17.576 15.707 694 H HIS 84 H HIS 84 -17.158 23.128 16.585 695 HA HIS 84 HA HIS 84 -18.463 22.560 19.152 696 HB2 HIS 84 2HB HIS 84 -17.738 25.202 17.856 697 HB3 HIS 84 3HB HIS 84 -18.518 25.033 19.426 698 HD1 HIS 84 HD1 HIS 84 -16.950 23.189 21.005 699 HD2 HIS 84 HD2 HIS 84 -15.092 25.643 18.210 700 HE1 HIS 84 HE1 HIS 84 -14.556 23.333 21.725 701 HE2 HIS 84 HE2 HIS 84 -13.493 24.954 20.124 702 H HIS 85 H HIS 85 -19.164 23.904 15.940 703 HA HIS 85 HA HIS 85 -22.048 23.739 16.598 704 HB2 HIS 85 2HB HIS 85 -22.452 25.597 15.039 705 HB3 HIS 85 3HB HIS 85 -21.350 26.075 16.326 706 HD1 HIS 85 HD1 HIS 85 -21.384 25.231 12.652 707 HD2 HIS 85 HD2 HIS 85 -18.848 26.918 15.477 708 HE1 HIS 85 HE1 HIS 85 -19.466 26.181 11.346 709 HE2 HIS 85 HE2 HIS 85 -17.839 26.964 13.095 Start of MODEL 2 1 H1 MET 1 1H MET 1 -1.336 13.828 4.639 2 H2 MET 1 2H MET 1 -2.729 14.595 4.067 3 H3 MET 1 3H MET 1 -1.924 13.473 3.091 4 HA MET 1 HA MET 1 -3.307 12.895 5.650 5 HB2 MET 1 2HB MET 1 -4.046 12.205 2.794 6 HB3 MET 1 3HB MET 1 -4.859 11.561 4.214 7 HG2 MET 1 2HG MET 1 -5.435 13.897 4.859 8 HG3 MET 1 3HG MET 1 -4.765 14.433 3.320 9 HE1 MET 1 3HE MET 1 -5.615 12.186 1.305 10 HE2 MET 1 1HE MET 1 -5.829 13.904 0.963 11 HE3 MET 1 2HE MET 1 -7.172 12.784 0.729 12 H GLU 2 H GLU 2 -3.724 10.447 5.799 13 HA GLU 2 HA GLU 2 -1.278 8.996 4.999 14 HB2 GLU 2 2HB GLU 2 -2.729 8.812 7.648 15 HB3 GLU 2 3HB GLU 2 -1.347 7.831 7.176 16 HG2 GLU 2 2HG GLU 2 0.058 9.798 7.078 17 HG3 GLU 2 3HG GLU 2 -1.320 10.834 7.437 18 H MET 3 H MET 3 -1.506 6.606 5.090 19 HA MET 3 HA MET 3 -4.225 5.611 4.594 20 HB2 MET 3 2HB MET 3 -3.421 6.328 2.405 21 HB3 MET 3 3HB MET 3 -1.943 5.404 2.611 22 HG2 MET 3 2HG MET 3 -3.269 3.326 2.615 23 HG3 MET 3 3HG MET 3 -4.729 4.280 2.342 24 HE1 MET 3 3HE MET 3 -3.845 1.859 0.428 25 HE2 MET 3 1HE MET 3 -4.155 2.566 -1.157 26 HE3 MET 3 2HE MET 3 -5.296 2.826 0.162 27 H ASP 4 H ASP 4 -4.376 3.964 6.012 28 HA ASP 4 HA ASP 4 -2.109 2.237 6.598 29 HB2 ASP 4 2HB ASP 4 -4.948 2.377 7.623 30 HB3 ASP 4 3HB ASP 4 -3.860 1.063 8.064 31 H ILE 5 H ILE 5 -1.668 0.420 5.504 32 HA ILE 5 HA ILE 5 -3.780 -0.813 3.831 33 HB ILE 5 HB ILE 5 -0.855 -0.660 3.073 34 HG12 ILE 5 2HG1 ILE 5 -3.093 1.113 2.046 35 HG13 ILE 5 3HG1 ILE 5 -1.873 1.622 3.209 36 HG21 ILE 5 1HG2 ILE 5 -2.112 -2.476 2.031 37 HG22 ILE 5 2HG2 ILE 5 -1.670 -1.258 0.837 38 HG23 ILE 5 3HG2 ILE 5 -3.320 -1.328 1.454 39 HD11 ILE 5 3HD1 ILE 5 -1.316 2.403 0.997 40 HD12 ILE 5 1HD1 ILE 5 -1.368 0.754 0.374 41 HD13 ILE 5 2HD1 ILE 5 -0.128 1.219 1.541 42 H ARG 6 H ARG 6 -3.791 -3.050 3.676 43 HA ARG 6 HA ARG 6 -1.545 -4.560 4.823 44 HB2 ARG 6 2HB ARG 6 -4.475 -4.987 5.415 45 HB3 ARG 6 3HB ARG 6 -3.300 -6.280 5.593 46 HG2 ARG 6 2HG ARG 6 -2.045 -4.820 7.196 47 HG3 ARG 6 3HG ARG 6 -3.391 -3.680 7.117 48 HD2 ARG 6 2HD ARG 6 -4.918 -5.343 7.973 49 HD3 ARG 6 3HD ARG 6 -3.669 -6.585 7.904 50 HE ARG 6 HE ARG 6 -3.632 -4.290 9.760 51 HH11 ARG 6 1HH1 ARG 6 -2.720 -7.521 8.954 52 HH12 ARG 6 2HH1 ARG 6 -2.164 -7.874 10.555 53 HH21 ARG 6 1HH2 ARG 6 -2.910 -4.785 11.819 54 HH22 ARG 6 2HH2 ARG 6 -2.266 -6.359 12.136 55 H PHE 7 H PHE 7 -0.675 -5.519 3.040 56 HA PHE 7 HA PHE 7 -2.401 -6.733 1.008 57 HB2 PHE 7 2HB PHE 7 0.603 -6.493 1.300 58 HB3 PHE 7 3HB PHE 7 -0.141 -7.474 0.043 59 HD1 PHE 7 HD2 PHE 7 0.458 -4.046 1.233 60 HD2 PHE 7 HD1 PHE 7 -1.246 -6.459 -1.842 61 HE1 PHE 7 HE2 PHE 7 0.306 -2.075 -0.235 62 HE2 PHE 7 HE1 PHE 7 -1.392 -4.492 -3.308 63 HZ PHE 7 HZ PHE 7 -0.614 -2.296 -2.507 64 H ARG 8 H ARG 8 -3.021 -8.845 1.075 65 HA ARG 8 HA ARG 8 -1.701 -10.600 3.055 66 HB2 ARG 8 2HB ARG 8 -3.880 -9.716 3.863 67 HB3 ARG 8 3HB ARG 8 -4.668 -10.443 2.472 68 HG2 ARG 8 2HG ARG 8 -4.024 -12.666 3.240 69 HG3 ARG 8 3HG ARG 8 -3.193 -11.956 4.626 70 HD2 ARG 8 2HD ARG 8 -5.334 -11.009 5.399 71 HD3 ARG 8 3HD ARG 8 -6.152 -11.773 4.033 72 HE ARG 8 HE ARG 8 -4.985 -13.872 5.202 73 HH11 ARG 8 1HH1 ARG 8 -6.874 -11.308 6.521 74 HH12 ARG 8 2HH1 ARG 8 -7.473 -12.273 7.825 75 HH21 ARG 8 1HH2 ARG 8 -5.779 -15.103 6.887 76 HH22 ARG 8 2HH2 ARG 8 -6.862 -14.382 8.026 77 H GLY 9 H GLY 9 -0.984 -12.478 2.274 78 HA2 GLY 9 2HA GLY 9 -2.351 -14.249 0.641 79 HA3 GLY 9 3HA GLY 9 -1.418 -13.235 -0.448 80 H ASP 10 H ASP 10 -0.524 -15.407 -0.965 81 HA ASP 10 HA ASP 10 1.729 -16.084 0.817 82 HB2 ASP 10 2HB ASP 10 0.067 -17.863 0.891 83 HB3 ASP 10 3HB ASP 10 0.026 -17.944 -0.867 84 H ASP 11 H ASP 11 3.163 -14.737 -0.300 85 HA ASP 11 HA ASP 11 4.599 -15.928 -2.409 86 HB2 ASP 11 2HB ASP 11 2.571 -15.037 -3.672 87 HB3 ASP 11 3HB ASP 11 3.139 -13.418 -3.282 88 H LEU 12 H LEU 12 6.628 -14.941 -2.668 89 HA LEU 12 HA LEU 12 7.260 -13.008 -0.577 90 HB2 LEU 12 2HB LEU 12 8.599 -15.080 -0.845 91 HB3 LEU 12 3HB LEU 12 9.128 -14.509 -2.417 92 HG LEU 12 HG LEU 12 10.256 -12.593 -1.357 93 HD11 LEU 12 1HD1 LEU 12 10.482 -12.499 1.089 94 HD12 LEU 12 2HD1 LEU 12 9.334 -13.830 1.241 95 HD13 LEU 12 3HD1 LEU 12 8.811 -12.285 0.568 96 HD21 LEU 12 3HD2 LEU 12 12.062 -13.831 -0.259 97 HD22 LEU 12 1HD2 LEU 12 11.519 -14.654 -1.721 98 HD23 LEU 12 2HD2 LEU 12 11.023 -15.251 -0.139 99 H GLU 13 H GLU 13 7.457 -13.240 -4.122 100 HA GLU 13 HA GLU 13 8.801 -10.757 -4.494 101 HB2 GLU 13 2HB GLU 13 7.152 -12.472 -6.346 102 HB3 GLU 13 3HB GLU 13 7.791 -10.919 -6.862 103 HG2 GLU 13 2HG GLU 13 9.242 -12.703 -7.591 104 HG3 GLU 13 3HG GLU 13 10.066 -11.698 -6.401 105 H ALA 14 H ALA 14 5.410 -11.633 -4.208 106 HA ALA 14 HA ALA 14 4.163 -9.238 -4.883 107 HB1 ALA 14 3HB ALA 14 3.429 -11.093 -2.611 108 HB2 ALA 14 1HB ALA 14 2.958 -11.299 -4.299 109 HB3 ALA 14 2HB ALA 14 2.364 -9.917 -3.379 110 H PHE 15 H PHE 15 5.694 -10.180 -1.831 111 HA PHE 15 HA PHE 15 5.159 -7.890 -0.314 112 HB2 PHE 15 2HB PHE 15 6.026 -9.814 0.793 113 HB3 PHE 15 3HB PHE 15 7.431 -9.883 -0.262 114 HD1 PHE 15 HD2 PHE 15 5.847 -7.905 2.452 115 HD2 PHE 15 HD1 PHE 15 9.428 -8.786 0.316 116 HE1 PHE 15 HE2 PHE 15 7.147 -6.623 4.101 117 HE2 PHE 15 HE1 PHE 15 10.730 -7.507 1.964 118 HZ PHE 15 HZ PHE 15 9.589 -6.422 3.857 119 H GLU 16 H GLU 16 8.106 -8.632 -2.204 120 HA GLU 16 HA GLU 16 9.367 -6.163 -1.709 121 HB2 GLU 16 2HB GLU 16 10.569 -8.181 -2.467 122 HB3 GLU 16 3HB GLU 16 9.795 -8.046 -4.039 123 HG2 GLU 16 2HG GLU 16 10.898 -5.885 -4.399 124 HG3 GLU 16 3HG GLU 16 11.685 -6.029 -2.829 125 H LYS 17 H LYS 17 7.576 -7.241 -4.607 126 HA LYS 17 HA LYS 17 7.984 -4.890 -6.097 127 HB2 LYS 17 2HB LYS 17 5.995 -7.132 -6.293 128 HB3 LYS 17 3HB LYS 17 5.876 -5.737 -7.358 129 HG2 LYS 17 2HG LYS 17 8.325 -7.479 -7.107 130 HG3 LYS 17 3HG LYS 17 7.084 -7.660 -8.349 131 HD2 LYS 17 2HD LYS 17 7.535 -5.376 -9.132 132 HD3 LYS 17 3HD LYS 17 8.779 -5.190 -7.896 133 HE2 LYS 17 2HE LYS 17 10.082 -6.979 -8.916 134 HE3 LYS 17 3HE LYS 17 8.812 -7.246 -10.110 135 HZ1 LYS 17 3HZ LYS 17 10.364 -4.730 -9.812 136 HZ2 LYS 17 1HZ LYS 17 9.195 -5.053 -10.989 137 HZ3 LYS 17 2HZ LYS 17 10.649 -5.914 -10.983 138 H ALA 18 H ALA 18 5.043 -5.878 -4.279 139 HA ALA 18 HA ALA 18 3.545 -3.584 -4.863 140 HB1 ALA 18 3HB ALA 18 2.144 -4.195 -2.948 141 HB2 ALA 18 1HB ALA 18 3.381 -5.329 -2.407 142 HB3 ALA 18 2HB ALA 18 2.544 -5.602 -3.936 143 H LEU 19 H LEU 19 5.692 -4.243 -2.110 144 HA LEU 19 HA LEU 19 5.308 -1.759 -0.799 145 HB2 LEU 19 2HB LEU 19 6.241 -3.771 0.274 146 HB3 LEU 19 3HB LEU 19 7.672 -3.644 -0.731 147 HG LEU 19 HG LEU 19 8.215 -1.476 0.357 148 HD11 LEU 19 1HD1 LEU 19 5.952 -0.807 0.999 149 HD12 LEU 19 2HD1 LEU 19 7.033 -0.821 2.392 150 HD13 LEU 19 3HD1 LEU 19 5.880 -2.136 2.159 151 HD21 LEU 19 3HD2 LEU 19 7.854 -3.818 2.237 152 HD22 LEU 19 1HD2 LEU 19 8.913 -2.435 2.514 153 HD23 LEU 19 2HD2 LEU 19 9.230 -3.533 1.173 154 H LYS 20 H LYS 20 7.675 -2.853 -3.199 155 HA LYS 20 HA LYS 20 9.437 -0.676 -3.120 156 HB2 LYS 20 2HB LYS 20 9.939 -2.822 -4.222 157 HB3 LYS 20 3HB LYS 20 8.745 -2.472 -5.460 158 HG2 LYS 20 2HG LYS 20 10.957 -2.060 -6.318 159 HG3 LYS 20 3HG LYS 20 10.083 -0.533 -6.183 160 HD2 LYS 20 2HD LYS 20 11.267 0.018 -4.142 161 HD3 LYS 20 3HD LYS 20 12.059 -1.561 -4.139 162 HE2 LYS 20 2HE LYS 20 12.393 0.550 -6.276 163 HE3 LYS 20 3HE LYS 20 13.531 0.243 -4.967 164 HZ1 LYS 20 3HZ LYS 20 14.140 -0.823 -7.089 165 HZ2 LYS 20 1HZ LYS 20 12.747 -1.775 -6.994 166 HZ3 LYS 20 2HZ LYS 20 13.958 -1.929 -5.822 167 H GLU 21 H GLU 21 6.692 -1.248 -5.344 168 HA GLU 21 HA GLU 21 7.047 1.080 -6.872 169 HB2 GLU 21 2HB GLU 21 4.475 -0.436 -6.381 170 HB3 GLU 21 3HB GLU 21 4.761 0.702 -7.690 171 HG2 GLU 21 2HG GLU 21 6.104 -1.961 -7.276 172 HG3 GLU 21 3HG GLU 21 4.937 -1.540 -8.527 173 H MET 22 H MET 22 4.833 0.521 -4.110 174 HA MET 22 HA MET 22 3.655 3.080 -4.192 175 HB2 MET 22 2HB MET 22 3.943 1.270 -1.789 176 HB3 MET 22 3HB MET 22 2.823 2.617 -1.939 177 HG2 MET 22 2HG MET 22 1.899 1.368 -3.982 178 HG3 MET 22 3HG MET 22 2.782 -0.022 -3.357 179 HE1 MET 22 3HE MET 22 -0.227 2.363 -2.979 180 HE2 MET 22 1HE MET 22 0.743 2.892 -1.601 181 HE3 MET 22 2HE MET 22 -0.788 2.059 -1.338 182 H ILE 23 H ILE 23 6.458 1.888 -2.329 183 HA ILE 23 HA ILE 23 7.014 4.323 -0.991 184 HB ILE 23 HB ILE 23 8.886 2.089 -1.813 185 HG12 ILE 23 2HG1 ILE 23 7.552 2.765 0.826 186 HG13 ILE 23 3HG1 ILE 23 7.187 1.388 -0.207 187 HG21 ILE 23 1HG2 ILE 23 10.161 4.148 -1.539 188 HG22 ILE 23 2HG2 ILE 23 10.500 3.034 -0.217 189 HG23 ILE 23 3HG2 ILE 23 9.430 4.412 0.043 190 HD11 ILE 23 3HD1 ILE 23 9.775 1.867 1.257 191 HD12 ILE 23 1HD1 ILE 23 9.422 0.490 0.213 192 HD13 ILE 23 2HD1 ILE 23 8.513 0.721 1.705 193 H ARG 24 H ARG 24 8.053 3.042 -4.125 194 HA ARG 24 HA ARG 24 9.894 4.998 -4.864 195 HB2 ARG 24 2HB ARG 24 9.472 2.836 -6.039 196 HB3 ARG 24 3HB ARG 24 7.986 3.506 -6.685 197 HG2 ARG 24 2HG ARG 24 10.526 4.970 -7.215 198 HG3 ARG 24 3HG ARG 24 10.236 3.458 -8.076 199 HD2 ARG 24 2HD ARG 24 8.041 4.383 -8.829 200 HD3 ARG 24 3HD ARG 24 8.480 5.918 -8.080 201 HE ARG 24 HE ARG 24 10.139 6.220 -9.717 202 HH11 ARG 24 1HH1 ARG 24 8.301 3.349 -10.236 203 HH12 ARG 24 2HH1 ARG 24 8.833 3.178 -11.868 204 HH21 ARG 24 1HH2 ARG 24 10.807 5.994 -11.813 205 HH22 ARG 24 2HH2 ARG 24 10.228 4.670 -12.761 206 H GLN 25 H GLN 25 6.362 4.937 -5.450 207 HA GLN 25 HA GLN 25 6.349 7.551 -6.624 208 HB2 GLN 25 2HB GLN 25 4.078 5.856 -5.578 209 HB3 GLN 25 3HB GLN 25 3.860 7.404 -6.385 210 HG2 GLN 25 2HG GLN 25 5.280 6.289 -8.277 211 HG3 GLN 25 3HG GLN 25 4.758 4.788 -7.510 212 HE21 GLN 25 1HE2 GLN 25 2.555 4.243 -7.557 213 HE22 GLN 25 2HE2 GLN 25 1.457 5.016 -8.642 214 H ALA 26 H ALA 26 5.768 6.355 -3.338 215 HA ALA 26 HA ALA 26 4.718 8.724 -2.251 216 HB1 ALA 26 3HB ALA 26 6.420 6.647 -0.869 217 HB2 ALA 26 1HB ALA 26 4.672 6.575 -1.082 218 HB3 ALA 26 2HB ALA 26 5.386 7.838 -0.079 219 H ARG 27 H ARG 27 8.102 7.634 -2.505 220 HA ARG 27 HA ARG 27 9.276 9.715 -1.048 221 HB2 ARG 27 2HB ARG 27 10.387 7.982 -3.255 222 HB3 ARG 27 3HB ARG 27 11.371 9.097 -2.314 223 HG2 ARG 27 2HG ARG 27 10.769 7.892 -0.261 224 HG3 ARG 27 3HG ARG 27 9.799 6.767 -1.214 225 HD2 ARG 27 2HD ARG 27 12.004 5.837 -0.664 226 HD3 ARG 27 3HD ARG 27 11.785 6.024 -2.403 227 HE ARG 27 HE ARG 27 13.186 8.035 -2.235 228 HH11 ARG 27 1HH1 ARG 27 13.323 5.780 0.364 229 HH12 ARG 27 2HH1 ARG 27 14.933 6.225 0.809 230 HH21 ARG 27 1HH2 ARG 27 15.242 8.607 -1.659 231 HH22 ARG 27 2HH2 ARG 27 16.010 7.823 -0.325 232 H LYS 28 H LYS 28 8.518 9.569 -4.533 233 HA LYS 28 HA LYS 28 9.848 12.018 -5.172 234 HB2 LYS 28 2HB LYS 28 8.687 11.893 -7.325 235 HB3 LYS 28 3HB LYS 28 9.372 10.332 -6.888 236 HG2 LYS 28 2HG LYS 28 7.088 9.692 -6.044 237 HG3 LYS 28 3HG LYS 28 6.480 11.171 -6.787 238 HD2 LYS 28 2HD LYS 28 7.916 8.937 -8.235 239 HD3 LYS 28 3HD LYS 28 6.172 9.188 -8.224 240 HE2 LYS 28 2HE LYS 28 6.482 11.363 -9.317 241 HE3 LYS 28 3HE LYS 28 8.228 11.108 -9.326 242 HZ1 LYS 28 3HZ LYS 28 7.225 10.547 -11.458 243 HZ2 LYS 28 1HZ LYS 28 6.235 9.395 -10.714 244 HZ3 LYS 28 2HZ LYS 28 7.912 9.181 -10.739 245 H PHE 29 H PHE 29 6.890 11.362 -3.597 246 HA PHE 29 HA PHE 29 6.037 14.172 -3.915 247 HB2 PHE 29 2HB PHE 29 4.477 11.763 -2.945 248 HB3 PHE 29 3HB PHE 29 3.861 13.411 -2.936 249 HD1 PHE 29 HD1 PHE 29 4.032 14.652 -5.283 250 HD2 PHE 29 HD2 PHE 29 3.947 10.422 -4.752 251 HE1 PHE 29 HE1 PHE 29 3.239 14.377 -7.598 252 HE2 PHE 29 HE2 PHE 29 3.158 10.146 -7.063 253 HZ PHE 29 HZ PHE 29 2.803 12.123 -8.488 254 H ALA 30 H ALA 30 8.128 12.783 -2.086 255 HA ALA 30 HA ALA 30 9.062 13.191 -0.059 256 HB1 ALA 30 3HB ALA 30 8.417 15.188 1.191 257 HB2 ALA 30 1HB ALA 30 6.972 15.359 0.194 258 HB3 ALA 30 2HB ALA 30 8.571 15.541 -0.531 259 H GLY 31 H GLY 31 6.513 11.476 -0.391 260 HA2 GLY 31 2HA GLY 31 5.252 11.526 2.198 261 HA3 GLY 31 3HA GLY 31 4.996 10.338 0.933 262 H THR 32 H THR 32 5.718 10.394 3.987 263 HA THR 32 HA THR 32 8.061 8.634 3.994 264 HB THR 32 HB THR 32 6.364 9.663 6.288 265 HG1 THR 32 HG1 THR 32 8.061 10.973 4.902 266 HG21 THR 32 3HG2 THR 32 8.969 8.118 6.359 267 HG22 THR 32 1HG2 THR 32 7.390 7.508 6.867 268 HG23 THR 32 2HG2 THR 32 8.154 8.827 7.751 269 H VAL 33 H VAL 33 7.878 6.468 3.867 270 HA VAL 33 HA VAL 33 5.251 5.241 4.439 271 HB VAL 33 HB VAL 33 7.493 4.137 2.727 272 HG11 VAL 33 1HG1 VAL 33 5.822 2.484 1.994 273 HG12 VAL 33 2HG1 VAL 33 4.663 3.152 3.143 274 HG13 VAL 33 3HG1 VAL 33 6.133 2.371 3.728 275 HG21 VAL 33 3HG2 VAL 33 4.883 5.431 1.912 276 HG22 VAL 33 1HG2 VAL 33 6.030 4.657 0.816 277 HG23 VAL 33 2HG2 VAL 33 6.496 6.112 1.699 278 H THR 34 H THR 34 5.064 3.859 6.101 279 HA THR 34 HA THR 34 7.489 2.476 7.087 280 HB THR 34 HB THR 34 6.849 4.095 8.776 281 HG1 THR 34 HG1 THR 34 6.387 2.565 10.512 282 HG21 THR 34 3HG2 THR 34 4.123 2.780 8.769 283 HG22 THR 34 1HG2 THR 34 4.490 4.398 8.166 284 HG23 THR 34 2HG2 THR 34 4.662 4.034 9.884 285 H TYR 35 H TYR 35 7.356 0.288 7.285 286 HA TYR 35 HA TYR 35 4.704 -0.954 6.922 287 HB2 TYR 35 2HB TYR 35 5.723 -2.640 5.434 288 HB3 TYR 35 3HB TYR 35 5.833 -1.014 4.775 289 HD1 TYR 35 HD2 TYR 35 8.036 0.175 4.782 290 HD2 TYR 35 HD1 TYR 35 7.691 -3.915 5.926 291 HE1 TYR 35 HE2 TYR 35 10.462 -0.105 4.492 292 HE2 TYR 35 HE1 TYR 35 10.117 -4.204 5.640 293 HH TYR 35 HH TYR 35 12.258 -1.567 5.262 294 H THR 36 H THR 36 4.304 -2.878 7.945 295 HA THR 36 HA THR 36 6.431 -4.107 9.571 296 HB THR 36 HB THR 36 4.776 -4.399 11.453 297 HG1 THR 36 HG1 THR 36 2.788 -3.942 10.773 298 HG21 THR 36 3HG2 THR 36 6.512 -2.656 11.567 299 HG22 THR 36 1HG2 THR 36 5.023 -2.142 12.360 300 HG23 THR 36 2HG2 THR 36 5.424 -1.526 10.756 301 H LEU 37 H LEU 37 6.420 -6.303 9.489 302 HA LEU 37 HA LEU 37 4.370 -7.648 7.936 303 HB2 LEU 37 2HB LEU 37 6.926 -8.563 9.236 304 HB3 LEU 37 3HB LEU 37 5.788 -9.716 8.573 305 HG LEU 37 HG LEU 37 7.550 -9.317 6.973 306 HD11 LEU 37 1HD1 LEU 37 4.993 -7.987 6.084 307 HD12 LEU 37 2HD1 LEU 37 5.314 -9.722 6.094 308 HD13 LEU 37 3HD1 LEU 37 6.239 -8.662 5.032 309 HD21 LEU 37 3HD2 LEU 37 6.786 -6.397 7.110 310 HD22 LEU 37 1HD2 LEU 37 7.931 -7.109 5.971 311 HD23 LEU 37 2HD2 LEU 37 8.286 -7.117 7.697 312 H ASP 38 H ASP 38 2.495 -8.299 8.816 313 HA ASP 38 HA ASP 38 2.514 -9.203 11.628 314 HB2 ASP 38 2HB ASP 38 1.174 -7.146 11.190 315 HB3 ASP 38 3HB ASP 38 0.157 -8.075 10.096 316 H GLY 39 H GLY 39 3.158 -11.310 10.882 317 HA2 GLY 39 2HA GLY 39 2.666 -13.529 10.604 318 HA3 GLY 39 3HA GLY 39 0.995 -13.097 10.908 319 H ASN 40 H ASN 40 -0.319 -12.438 9.062 320 HA ASN 40 HA ASN 40 0.358 -14.156 6.770 321 HB2 ASN 40 2HB ASN 40 -2.313 -13.113 7.747 322 HB3 ASN 40 3HB ASN 40 -2.091 -14.160 6.348 323 HD21 ASN 40 1HD2 ASN 40 -3.518 -14.544 8.926 324 HD22 ASN 40 2HD2 ASN 40 -2.882 -16.022 9.559 325 H ASP 41 H ASP 41 0.213 -10.865 7.528 326 HA ASP 41 HA ASP 41 0.125 -10.157 4.701 327 HB2 ASP 41 2HB ASP 41 -1.569 -8.395 5.064 328 HB3 ASP 41 3HB ASP 41 -2.199 -10.014 5.341 329 H LEU 42 H LEU 42 0.726 -7.943 4.240 330 HA LEU 42 HA LEU 42 2.736 -6.929 6.134 331 HB2 LEU 42 2HB LEU 42 3.642 -7.433 3.978 332 HB3 LEU 42 3HB LEU 42 2.355 -6.566 3.162 333 HG LEU 42 HG LEU 42 3.245 -4.433 4.095 334 HD11 LEU 42 1HD1 LEU 42 5.491 -4.394 5.063 335 HD12 LEU 42 2HD1 LEU 42 5.525 -6.156 5.061 336 HD13 LEU 42 3HD1 LEU 42 4.363 -5.296 6.071 337 HD21 LEU 42 3HD2 LEU 42 5.199 -4.302 2.618 338 HD22 LEU 42 1HD2 LEU 42 3.848 -5.129 1.843 339 HD23 LEU 42 2HD2 LEU 42 5.206 -6.059 2.477 340 H GLU 43 H GLU 43 2.096 -5.282 7.395 341 HA GLU 43 HA GLU 43 0.002 -3.445 6.644 342 HB2 GLU 43 2HB GLU 43 1.929 -3.308 8.982 343 HB3 GLU 43 3HB GLU 43 0.468 -2.349 8.791 344 HG2 GLU 43 2HG GLU 43 -0.869 -4.431 8.885 345 HG3 GLU 43 3HG GLU 43 0.616 -5.339 9.167 346 H ILE 44 H ILE 44 0.238 -1.511 5.651 347 HA ILE 44 HA ILE 44 2.894 -0.228 5.550 348 HB ILE 44 HB ILE 44 1.017 -0.517 3.184 349 HG12 ILE 44 2HG1 ILE 44 3.763 -1.729 3.628 350 HG13 ILE 44 3HG1 ILE 44 2.239 -2.609 3.690 351 HG21 ILE 44 1HG2 ILE 44 2.158 1.631 3.163 352 HG22 ILE 44 2HG2 ILE 44 2.800 0.589 1.894 353 HG23 ILE 44 3HG2 ILE 44 3.716 0.832 3.382 354 HD11 ILE 44 3HD1 ILE 44 3.406 -1.240 1.271 355 HD12 ILE 44 1HD1 ILE 44 1.858 -2.085 1.320 356 HD13 ILE 44 2HD1 ILE 44 3.358 -2.976 1.577 357 H ARG 45 H ARG 45 2.717 1.815 6.357 358 HA ARG 45 HA ARG 45 0.228 3.296 5.766 359 HB2 ARG 45 2HB ARG 45 0.470 2.899 8.179 360 HB3 ARG 45 3HB ARG 45 2.050 3.673 8.155 361 HG2 ARG 45 2HG ARG 45 1.002 5.787 7.471 362 HG3 ARG 45 3HG ARG 45 -0.580 5.009 7.509 363 HD2 ARG 45 2HD ARG 45 1.276 5.307 9.873 364 HD3 ARG 45 3HD ARG 45 -0.108 6.345 9.539 365 HE ARG 45 HE ARG 45 -1.271 3.941 9.618 366 HH11 ARG 45 1HH1 ARG 45 0.945 5.475 11.773 367 HH12 ARG 45 2HH1 ARG 45 0.409 4.563 13.141 368 HH21 ARG 45 1HH2 ARG 45 -1.981 2.824 11.372 369 HH22 ARG 45 2HH2 ARG 45 -1.253 3.087 12.923 370 H ILE 46 H ILE 46 0.474 4.878 4.361 371 HA ILE 46 HA ILE 46 3.115 6.133 3.992 372 HB ILE 46 HB ILE 46 0.657 6.347 2.228 373 HG12 ILE 46 2HG1 ILE 46 3.149 4.639 1.899 374 HG13 ILE 46 3HG1 ILE 46 1.536 4.044 2.278 375 HG21 ILE 46 1HG2 ILE 46 2.163 8.265 2.031 376 HG22 ILE 46 2HG2 ILE 46 2.205 7.284 0.570 377 HG23 ILE 46 3HG2 ILE 46 3.525 7.180 1.736 378 HD11 ILE 46 3HD1 ILE 46 2.368 5.414 -0.272 379 HD12 ILE 46 1HD1 ILE 46 0.739 4.849 0.109 380 HD13 ILE 46 2HD1 ILE 46 2.059 3.691 -0.053 381 H THR 47 H THR 47 3.479 8.202 4.598 382 HA THR 47 HA THR 47 1.179 9.821 5.538 383 HB THR 47 HB THR 47 3.978 9.772 6.714 384 HG1 THR 47 HG1 THR 47 1.614 8.918 8.041 385 HG21 THR 47 3HG2 THR 47 1.485 11.213 7.643 386 HG22 THR 47 1HG2 THR 47 2.912 11.968 6.934 387 HG23 THR 47 2HG2 THR 47 3.026 11.165 8.500 388 H GLY 48 H GLY 48 1.147 12.014 5.017 389 HA2 GLY 48 2HA GLY 48 2.098 14.086 4.424 390 HA3 GLY 48 3HA GLY 48 3.556 13.259 3.911 391 H VAL 49 H VAL 49 0.763 11.818 2.614 392 HA VAL 49 HA VAL 49 1.383 12.932 -0.006 393 HB VAL 49 HB VAL 49 -0.237 11.231 -0.872 394 HG11 VAL 49 1HG1 VAL 49 1.980 10.164 0.889 395 HG12 VAL 49 2HG1 VAL 49 2.164 10.777 -0.756 396 HG13 VAL 49 3HG1 VAL 49 1.226 9.313 -0.462 397 HG21 VAL 49 3HG2 VAL 49 -1.004 9.458 0.648 398 HG22 VAL 49 1HG2 VAL 49 -1.661 11.027 1.114 399 HG23 VAL 49 2HG2 VAL 49 -0.316 10.330 2.019 400 HA PRO 50 HA PRO 50 -2.003 15.831 0.074 401 HB2 PRO 50 2HB PRO 50 -2.028 16.511 -2.543 402 HB3 PRO 50 3HB PRO 50 -0.742 17.020 -1.442 403 HG2 PRO 50 2HG PRO 50 -0.766 14.758 -3.410 404 HG3 PRO 50 3HG PRO 50 0.512 15.945 -3.093 405 HD2 PRO 50 2HD PRO 50 0.542 13.425 -2.070 406 HD3 PRO 50 3HD PRO 50 1.274 14.810 -1.233 407 H GLU 51 H GLU 51 -4.064 16.313 -1.316 408 HA GLU 51 HA GLU 51 -5.683 14.028 -0.909 409 HB2 GLU 51 2HB GLU 51 -7.556 15.451 -1.649 410 HB3 GLU 51 3HB GLU 51 -6.542 16.228 -0.442 411 HG2 GLU 51 2HG GLU 51 -5.447 17.536 -2.207 412 HG3 GLU 51 3HG GLU 51 -6.475 16.763 -3.413 413 H GLN 52 H GLN 52 -4.807 15.681 -3.978 414 HA GLN 52 HA GLN 52 -6.449 13.983 -5.566 415 HB2 GLN 52 2HB GLN 52 -5.428 14.998 -7.478 416 HB3 GLN 52 3HB GLN 52 -5.628 16.247 -6.260 417 HG2 GLN 52 2HG GLN 52 -3.225 15.897 -5.636 418 HG3 GLN 52 3HG GLN 52 -3.086 14.838 -7.037 419 HE21 GLN 52 1HE2 GLN 52 -1.634 16.117 -8.118 420 HE22 GLN 52 2HE2 GLN 52 -2.039 17.663 -8.772 421 H VAL 53 H VAL 53 -3.002 13.871 -4.739 422 HA VAL 53 HA VAL 53 -2.382 11.598 -6.340 423 HB VAL 53 HB VAL 53 -0.941 12.652 -3.889 424 HG11 VAL 53 1HG1 VAL 53 1.019 11.461 -4.758 425 HG12 VAL 53 2HG1 VAL 53 0.042 10.799 -6.068 426 HG13 VAL 53 3HG1 VAL 53 -0.300 10.346 -4.399 427 HG21 VAL 53 3HG2 VAL 53 -0.548 13.236 -6.831 428 HG22 VAL 53 1HG2 VAL 53 0.554 13.742 -5.547 429 HG23 VAL 53 2HG2 VAL 53 -1.095 14.363 -5.590 430 H ARG 54 H ARG 54 -3.575 12.025 -3.067 431 HA ARG 54 HA ARG 54 -3.235 9.515 -1.948 432 HB2 ARG 54 2HB ARG 54 -4.188 11.438 -0.743 433 HB3 ARG 54 3HB ARG 54 -5.642 11.345 -1.725 434 HG2 ARG 54 2HG ARG 54 -6.271 10.327 0.266 435 HG3 ARG 54 3HG ARG 54 -5.893 8.963 -0.784 436 HD2 ARG 54 2HD ARG 54 -4.086 10.141 1.333 437 HD3 ARG 54 3HD ARG 54 -4.978 8.627 1.455 438 HE ARG 54 HE ARG 54 -2.535 9.107 -0.016 439 HH11 ARG 54 1HH1 ARG 54 -5.260 7.048 0.346 440 HH12 ARG 54 2HH1 ARG 54 -4.404 5.640 -0.171 441 HH21 ARG 54 1HH2 ARG 54 -1.443 7.288 -0.692 442 HH22 ARG 54 2HH2 ARG 54 -2.270 5.772 -0.738 443 H LYS 55 H LYS 55 -5.772 10.613 -4.154 444 HA LYS 55 HA LYS 55 -7.377 8.305 -4.129 445 HB2 LYS 55 2HB LYS 55 -6.986 10.241 -6.423 446 HB3 LYS 55 3HB LYS 55 -8.376 9.195 -6.158 447 HG2 LYS 55 2HG LYS 55 -8.985 10.435 -4.173 448 HG3 LYS 55 3HG LYS 55 -7.534 11.432 -4.317 449 HD2 LYS 55 2HD LYS 55 -8.356 12.280 -6.486 450 HD3 LYS 55 3HD LYS 55 -9.817 11.309 -6.297 451 HE2 LYS 55 2HE LYS 55 -10.395 12.556 -4.270 452 HE3 LYS 55 3HE LYS 55 -8.924 13.516 -4.435 453 HZ1 LYS 55 3HZ LYS 55 -11.184 13.445 -6.365 454 HZ2 LYS 55 1HZ LYS 55 -9.776 14.367 -6.538 455 HZ3 LYS 55 2HZ LYS 55 -10.851 14.696 -5.277 456 H GLU 56 H GLU 56 -4.860 9.286 -6.471 457 HA GLU 56 HA GLU 56 -5.050 7.008 -8.108 458 HB2 GLU 56 2HB GLU 56 -2.687 8.853 -7.685 459 HB3 GLU 56 3HB GLU 56 -2.865 7.718 -9.019 460 HG2 GLU 56 2HG GLU 56 -4.939 8.931 -9.698 461 HG3 GLU 56 3HG GLU 56 -4.600 10.121 -8.444 462 H LEU 57 H LEU 57 -2.855 7.681 -5.368 463 HA LEU 57 HA LEU 57 -1.436 5.247 -5.473 464 HB2 LEU 57 2HB LEU 57 -2.065 7.027 -3.112 465 HB3 LEU 57 3HB LEU 57 -0.947 5.676 -3.049 466 HG LEU 57 HG LEU 57 -0.632 8.162 -4.752 467 HD11 LEU 57 1HD1 LEU 57 1.239 8.680 -3.279 468 HD12 LEU 57 2HD1 LEU 57 0.897 7.244 -2.312 469 HD13 LEU 57 3HD1 LEU 57 -0.266 8.569 -2.365 470 HD21 LEU 57 3HD2 LEU 57 1.590 7.261 -5.292 471 HD22 LEU 57 1HD2 LEU 57 0.302 6.202 -5.869 472 HD23 LEU 57 2HD2 LEU 57 1.204 5.782 -4.412 473 H ALA 58 H ALA 58 -4.503 6.080 -3.911 474 HA ALA 58 HA ALA 58 -4.873 3.629 -2.532 475 HB1 ALA 58 3HB ALA 58 -6.160 5.647 -2.005 476 HB2 ALA 58 1HB ALA 58 -7.221 4.284 -2.359 477 HB3 ALA 58 2HB ALA 58 -6.967 5.543 -3.568 478 H LYS 59 H LYS 59 -5.475 4.606 -5.841 479 HA LYS 59 HA LYS 59 -7.001 2.265 -6.530 480 HB2 LYS 59 2HB LYS 59 -7.238 4.455 -7.693 481 HB3 LYS 59 3HB LYS 59 -5.622 4.251 -8.354 482 HG2 LYS 59 2HG LYS 59 -6.311 2.359 -9.648 483 HG3 LYS 59 3HG LYS 59 -7.886 2.323 -8.853 484 HD2 LYS 59 2HD LYS 59 -8.115 3.316 -11.049 485 HD3 LYS 59 3HD LYS 59 -8.389 4.551 -9.819 486 HE2 LYS 59 2HE LYS 59 -7.028 5.488 -11.563 487 HE3 LYS 59 3HE LYS 59 -6.028 5.294 -10.125 488 HZ1 LYS 59 3HZ LYS 59 -4.861 4.577 -12.103 489 HZ2 LYS 59 1HZ LYS 59 -6.083 3.468 -12.467 490 HZ3 LYS 59 2HZ LYS 59 -5.135 3.256 -11.085 491 H GLU 60 H GLU 60 -3.597 3.215 -6.745 492 HA GLU 60 HA GLU 60 -2.682 1.102 -8.363 493 HB2 GLU 60 2HB GLU 60 -1.255 2.997 -7.949 494 HB3 GLU 60 3HB GLU 60 -1.240 2.675 -6.220 495 HG2 GLU 60 2HG GLU 60 0.047 0.670 -6.539 496 HG3 GLU 60 3HG GLU 60 -0.120 0.789 -8.289 497 H ALA 61 H ALA 61 -3.054 1.280 -4.830 498 HA ALA 61 HA ALA 61 -1.921 -1.110 -4.050 499 HB1 ALA 61 3HB ALA 61 -2.828 0.552 -2.492 500 HB2 ALA 61 1HB ALA 61 -3.430 -1.068 -2.132 501 HB3 ALA 61 2HB ALA 61 -4.468 0.096 -2.958 502 H GLU 62 H GLU 62 -5.213 -0.608 -5.294 503 HA GLU 62 HA GLU 62 -6.127 -3.256 -5.145 504 HB2 GLU 62 2HB GLU 62 -6.835 -0.976 -6.992 505 HB3 GLU 62 3HB GLU 62 -7.666 -2.525 -7.053 506 HG2 GLU 62 2HG GLU 62 -7.492 -0.817 -4.580 507 HG3 GLU 62 3HG GLU 62 -8.816 -0.733 -5.740 508 H ARG 63 H ARG 63 -4.359 -1.564 -7.703 509 HA ARG 63 HA ARG 63 -4.388 -3.617 -9.636 510 HB2 ARG 63 2HB ARG 63 -3.776 -1.317 -10.201 511 HB3 ARG 63 3HB ARG 63 -2.360 -1.415 -9.164 512 HG2 ARG 63 2HG ARG 63 -1.605 -1.662 -11.396 513 HG3 ARG 63 3HG ARG 63 -1.513 -3.257 -10.648 514 HD2 ARG 63 2HD ARG 63 -3.859 -3.627 -11.677 515 HD3 ARG 63 3HD ARG 63 -3.473 -2.234 -12.687 516 HE ARG 63 HE ARG 63 -2.264 -4.866 -12.790 517 HH11 ARG 63 1HH1 ARG 63 -2.184 -1.596 -13.910 518 HH12 ARG 63 2HH1 ARG 63 -1.128 -1.973 -15.227 519 HH21 ARG 63 1HH2 ARG 63 -0.929 -5.327 -14.469 520 HH22 ARG 63 2HH2 ARG 63 -0.438 -4.066 -15.549 521 H LEU 64 H LEU 64 -1.873 -2.723 -7.282 522 HA LEU 64 HA LEU 64 0.030 -4.646 -7.779 523 HB2 LEU 64 2HB LEU 64 -0.831 -3.480 -5.126 524 HB3 LEU 64 3HB LEU 64 0.639 -4.411 -5.357 525 HG LEU 64 HG LEU 64 0.057 -1.826 -6.811 526 HD11 LEU 64 1HD1 LEU 64 1.613 -0.772 -5.250 527 HD12 LEU 64 2HD1 LEU 64 1.734 -2.279 -4.344 528 HD13 LEU 64 3HD1 LEU 64 0.201 -1.411 -4.411 529 HD21 LEU 64 3HD2 LEU 64 2.463 -1.877 -7.294 530 HD22 LEU 64 1HD2 LEU 64 1.639 -3.291 -7.954 531 HD23 LEU 64 2HD2 LEU 64 2.591 -3.437 -6.474 532 H ALA 65 H ALA 65 -2.743 -4.933 -5.567 533 HA ALA 65 HA ALA 65 -2.220 -7.503 -4.599 534 HB1 ALA 65 3HB ALA 65 -4.560 -7.553 -3.927 535 HB2 ALA 65 1HB ALA 65 -4.911 -6.193 -4.993 536 HB3 ALA 65 2HB ALA 65 -3.852 -5.970 -3.599 537 H LYS 66 H LYS 66 -4.338 -6.541 -7.323 538 HA LYS 66 HA LYS 66 -5.190 -9.157 -7.923 539 HB2 LYS 66 2HB LYS 66 -5.117 -6.700 -9.682 540 HB3 LYS 66 3HB LYS 66 -5.920 -8.207 -10.112 541 HG2 LYS 66 2HG LYS 66 -7.263 -7.932 -7.966 542 HG3 LYS 66 3HG LYS 66 -6.621 -6.290 -7.900 543 HD2 LYS 66 2HD LYS 66 -8.821 -6.308 -8.948 544 HD3 LYS 66 3HD LYS 66 -7.588 -5.834 -10.118 545 HE2 LYS 66 2HE LYS 66 -9.223 -7.415 -11.072 546 HE3 LYS 66 3HE LYS 66 -7.588 -8.072 -11.073 547 HZ1 LYS 66 3HZ LYS 66 -8.169 -9.295 -9.028 548 HZ2 LYS 66 1HZ LYS 66 -9.129 -9.744 -10.346 549 HZ3 LYS 66 2HZ LYS 66 -9.756 -8.731 -9.153 550 H GLU 67 H GLU 67 -2.387 -7.334 -9.116 551 HA GLU 67 HA GLU 67 -1.632 -8.976 -11.244 552 HB2 GLU 67 2HB GLU 67 0.157 -7.531 -9.269 553 HB3 GLU 67 3HB GLU 67 0.703 -8.221 -10.791 554 HG2 GLU 67 2HG GLU 67 -1.324 -6.005 -10.501 555 HG3 GLU 67 3HG GLU 67 0.373 -5.796 -10.922 556 H PHE 68 H PHE 68 -0.795 -9.299 -7.802 557 HA PHE 68 HA PHE 68 0.433 -11.910 -8.306 558 HB2 PHE 68 2HB PHE 68 0.279 -10.232 -5.790 559 HB3 PHE 68 3HB PHE 68 1.135 -11.767 -5.926 560 HD1 PHE 68 HD1 PHE 68 3.144 -11.947 -7.348 561 HD2 PHE 68 HD2 PHE 68 1.219 -8.208 -6.672 562 HE1 PHE 68 HE1 PHE 68 5.150 -10.773 -8.154 563 HE2 PHE 68 HE2 PHE 68 3.223 -7.028 -7.477 564 HZ PHE 68 HZ PHE 68 5.191 -8.313 -8.217 565 H ASN 69 H ASN 69 -2.609 -10.987 -7.997 566 HA ASN 69 HA ASN 69 -4.571 -11.979 -7.463 567 HB2 ASN 69 2HB ASN 69 -3.378 -13.873 -8.675 568 HB3 ASN 69 3HB ASN 69 -3.001 -14.541 -7.090 569 HD21 ASN 69 1HD2 ASN 69 -4.632 -15.474 -5.889 570 HD22 ASN 69 2HD2 ASN 69 -6.214 -15.789 -6.521 571 H ILE 70 H ILE 70 -2.991 -10.792 -5.324 572 HA ILE 70 HA ILE 70 -3.877 -12.381 -3.001 573 HB ILE 70 HB ILE 70 -2.394 -10.973 -1.629 574 HG12 ILE 70 2HG1 ILE 70 -1.564 -9.735 -4.273 575 HG13 ILE 70 3HG1 ILE 70 -2.464 -8.921 -2.998 576 HG21 ILE 70 1HG2 ILE 70 -0.259 -11.862 -2.443 577 HG22 ILE 70 2HG2 ILE 70 -1.000 -12.225 -4.002 578 HG23 ILE 70 3HG2 ILE 70 -1.541 -13.068 -2.552 579 HD11 ILE 70 3HD1 ILE 70 -0.143 -8.259 -2.967 580 HD12 ILE 70 1HD1 ILE 70 0.363 -9.941 -2.800 581 HD13 ILE 70 2HD1 ILE 70 -0.540 -9.158 -1.503 582 H THR 71 H THR 71 -4.532 -10.912 -1.066 583 HA THR 71 HA THR 71 -6.651 -9.126 -2.048 584 HB THR 71 HB THR 71 -7.589 -9.325 0.265 585 HG1 THR 71 HG1 THR 71 -6.087 -11.541 0.898 586 HG21 THR 71 3HG2 THR 71 -8.372 -10.821 -1.520 587 HG22 THR 71 1HG2 THR 71 -8.363 -11.646 0.041 588 HG23 THR 71 2HG2 THR 71 -7.085 -11.962 -1.134 589 H VAL 72 H VAL 72 -6.863 -6.994 -1.400 590 HA VAL 72 HA VAL 72 -4.808 -5.949 0.445 591 HB VAL 72 HB VAL 72 -4.178 -5.316 -1.839 592 HG11 VAL 72 1HG1 VAL 72 -6.829 -3.871 -1.951 593 HG12 VAL 72 2HG1 VAL 72 -6.387 -5.306 -2.879 594 HG13 VAL 72 3HG1 VAL 72 -5.547 -3.781 -3.162 595 HG21 VAL 72 3HG2 VAL 72 -3.931 -2.908 -1.472 596 HG22 VAL 72 1HG2 VAL 72 -3.626 -3.812 0.013 597 HG23 VAL 72 2HG2 VAL 72 -5.160 -2.966 -0.206 598 H THR 73 H THR 73 -5.658 -5.086 2.180 599 HA THR 73 HA THR 73 -8.274 -3.703 2.016 600 HB THR 73 HB THR 73 -8.537 -4.147 4.436 601 HG1 THR 73 HG1 THR 73 -6.789 -6.087 4.841 602 HG21 THR 73 3HG2 THR 73 -9.519 -5.739 2.857 603 HG22 THR 73 1HG2 THR 73 -8.947 -6.573 4.302 604 HG23 THR 73 2HG2 THR 73 -8.007 -6.647 2.812 605 H TYR 74 H TYR 74 -8.379 -1.585 2.732 606 HA TYR 74 HA TYR 74 -6.129 -0.468 4.194 607 HB2 TYR 74 2HB TYR 74 -5.880 1.404 2.473 608 HB3 TYR 74 3HB TYR 74 -5.201 -0.164 2.058 609 HD1 TYR 74 HD1 TYR 74 -8.253 1.940 1.526 610 HD2 TYR 74 HD2 TYR 74 -5.749 -1.166 0.024 611 HE1 TYR 74 HE1 TYR 74 -9.513 1.948 -0.585 612 HE2 TYR 74 HE2 TYR 74 -7.005 -1.162 -2.087 613 HH TYR 74 HH TYR 74 -9.190 -0.530 -2.916 614 H THR 75 H THR 75 -6.435 1.634 5.024 615 HA THR 75 HA THR 75 -9.201 2.671 4.963 616 HB THR 75 HB THR 75 -7.479 2.469 7.458 617 HG1 THR 75 HG1 THR 75 -8.284 0.511 7.509 618 HG21 THR 75 3HG2 THR 75 -8.956 4.421 7.484 619 HG22 THR 75 1HG2 THR 75 -9.504 3.207 8.642 620 HG23 THR 75 2HG2 THR 75 -10.339 3.394 7.097 621 H ILE 76 H ILE 76 -9.340 4.840 4.677 622 HA ILE 76 HA ILE 76 -6.841 6.359 4.444 623 HB ILE 76 HB ILE 76 -9.643 7.194 3.648 624 HG12 ILE 76 2HG1 ILE 76 -8.939 5.218 2.368 625 HG13 ILE 76 3HG1 ILE 76 -8.966 6.644 1.337 626 HG21 ILE 76 1HG2 ILE 76 -8.167 9.088 4.005 627 HG22 ILE 76 2HG2 ILE 76 -8.479 8.890 2.281 628 HG23 ILE 76 3HG2 ILE 76 -6.940 8.364 2.963 629 HD11 ILE 76 3HD1 ILE 76 -6.528 6.821 1.545 630 HD12 ILE 76 1HD1 ILE 76 -7.033 5.275 0.864 631 HD13 ILE 76 2HD1 ILE 76 -6.522 5.370 2.548 632 H ARG 77 H ARG 77 -6.190 7.693 6.045 633 HA ARG 77 HA ARG 77 -8.230 8.701 7.927 634 HB2 ARG 77 2HB ARG 77 -6.293 8.934 9.557 635 HB3 ARG 77 3HB ARG 77 -6.821 7.300 9.181 636 HG2 ARG 77 2HG ARG 77 -4.942 6.966 7.723 637 HG3 ARG 77 3HG ARG 77 -4.457 8.653 7.893 638 HD2 ARG 77 2HD ARG 77 -4.561 6.646 10.150 639 HD3 ARG 77 3HD ARG 77 -3.100 7.110 9.275 640 HE ARG 77 HE ARG 77 -4.310 9.431 10.255 641 HH11 ARG 77 1HH1 ARG 77 -2.711 6.628 11.462 642 HH12 ARG 77 2HH1 ARG 77 -2.107 7.447 12.863 643 HH21 ARG 77 1HH2 ARG 77 -3.535 10.463 12.054 644 HH22 ARG 77 2HH2 ARG 77 -2.563 9.588 13.186 645 H LEU 78 H LEU 78 -8.495 10.786 8.214 646 HA LEU 78 HA LEU 78 -6.498 12.736 7.292 647 HB2 LEU 78 2HB LEU 78 -7.876 12.638 5.385 648 HB3 LEU 78 3HB LEU 78 -9.336 12.458 6.335 649 HG LEU 78 HG LEU 78 -9.124 14.840 7.053 650 HD11 LEU 78 1HD1 LEU 78 -6.934 15.006 4.990 651 HD12 LEU 78 2HD1 LEU 78 -6.691 15.066 6.735 652 HD13 LEU 78 3HD1 LEU 78 -7.608 16.338 5.929 653 HD21 LEU 78 3HD2 LEU 78 -10.581 14.242 5.204 654 HD22 LEU 78 1HD2 LEU 78 -9.236 14.377 4.072 655 HD23 LEU 78 2HD2 LEU 78 -9.829 15.808 4.912 656 H GLU 79 H GLU 79 -6.459 14.630 8.479 657 HA GLU 79 HA GLU 79 -7.791 14.748 10.979 658 HB2 GLU 79 2HB GLU 79 -6.302 16.874 9.425 659 HB3 GLU 79 3HB GLU 79 -6.902 17.099 11.063 660 HG2 GLU 79 2HG GLU 79 -4.869 15.049 10.190 661 HG3 GLU 79 3HG GLU 79 -4.530 16.551 11.047 662 H HIS 80 H HIS 80 -10.003 14.561 10.595 663 HA HIS 80 HA HIS 80 -11.322 16.624 8.974 664 HB2 HIS 80 2HB HIS 80 -13.369 15.161 9.322 665 HB3 HIS 80 3HB HIS 80 -12.053 14.429 8.412 666 HD1 HIS 80 HD1 HIS 80 -10.820 12.447 9.493 667 HD2 HIS 80 HD2 HIS 80 -13.896 13.982 11.822 668 HE1 HIS 80 HE1 HIS 80 -11.183 10.766 11.314 669 HE2 HIS 80 HE2 HIS 80 -12.932 11.787 12.799 670 H HIS 81 H HIS 81 -12.187 18.359 9.891 671 HA HIS 81 HA HIS 81 -12.253 18.780 12.680 672 HB2 HIS 81 2HB HIS 81 -13.414 20.891 12.144 673 HB3 HIS 81 3HB HIS 81 -12.006 20.636 11.125 674 HD1 HIS 81 HD1 HIS 81 -12.401 20.311 8.604 675 HD2 HIS 81 HD2 HIS 81 -15.895 20.852 10.792 676 HE1 HIS 81 HE1 HIS 81 -14.199 20.734 6.908 677 HE2 HIS 81 HE2 HIS 81 -16.322 20.871 8.243 678 H HIS 82 H HIS 82 -13.844 18.648 14.172 679 HA HIS 82 HA HIS 82 -16.397 17.430 13.330 680 HB2 HIS 82 2HB HIS 82 -16.225 16.273 15.667 681 HB3 HIS 82 3HB HIS 82 -15.313 15.625 14.311 682 HD1 HIS 82 HD1 HIS 82 -12.732 15.922 14.359 683 HD2 HIS 82 HD2 HIS 82 -14.676 17.356 17.742 684 HE1 HIS 82 HE1 HIS 82 -10.928 16.296 16.062 685 HE2 HIS 82 HE2 HIS 82 -12.102 17.364 18.008 686 H HIS 83 H HIS 83 -17.904 18.949 13.601 687 HA HIS 83 HA HIS 83 -17.925 20.496 16.119 688 HB2 HIS 83 2HB HIS 83 -17.213 21.893 14.208 689 HB3 HIS 83 3HB HIS 83 -18.705 21.499 13.366 690 HD1 HIS 83 HD1 HIS 83 -19.959 23.646 13.334 691 HD2 HIS 83 HD2 HIS 83 -18.340 22.845 17.085 692 HE1 HIS 83 HE1 HIS 83 -20.789 25.479 14.837 693 HE2 HIS 83 HE2 HIS 83 -19.770 25.002 17.084 694 H HIS 84 H HIS 84 -19.606 19.891 17.305 695 HA HIS 84 HA HIS 84 -21.936 18.601 16.198 696 HB2 HIS 84 2HB HIS 84 -20.934 17.940 18.368 697 HB3 HIS 84 3HB HIS 84 -21.352 19.513 19.032 698 HD1 HIS 84 HD1 HIS 84 -23.909 19.960 19.488 699 HD2 HIS 84 HD2 HIS 84 -22.984 16.079 18.317 700 HE1 HIS 84 HE1 HIS 84 -25.925 18.585 20.064 701 HE2 HIS 84 HE2 HIS 84 -25.403 16.285 19.200 702 H HIS 85 H HIS 85 -24.149 19.329 16.559 703 HA HIS 85 HA HIS 85 -24.420 22.264 16.611 704 HB2 HIS 85 2HB HIS 85 -25.274 21.084 14.594 705 HB3 HIS 85 3HB HIS 85 -26.397 20.189 15.611 706 HD1 HIS 85 HD1 HIS 85 -28.434 21.477 16.534 707 HD2 HIS 85 HD2 HIS 85 -25.989 23.739 14.057 708 HE1 HIS 85 HE1 HIS 85 -29.757 23.533 15.993 709 HE2 HIS 85 HE2 HIS 85 -28.177 24.978 14.671 Start of MODEL 3 1 H1 MET 1 1H MET 1 -1.741 13.413 7.127 2 H2 MET 1 2H MET 1 -2.593 14.608 6.282 3 H3 MET 1 3H MET 1 -1.239 13.885 5.579 4 HA MET 1 HA MET 1 -3.843 12.601 6.180 5 HB2 MET 1 2HB MET 1 -3.412 14.141 4.085 6 HB3 MET 1 3HB MET 1 -2.535 12.747 3.471 7 HG2 MET 1 2HG MET 1 -5.446 12.868 4.233 8 HG3 MET 1 3HG MET 1 -4.776 12.734 2.611 9 HE1 MET 1 3HE MET 1 -3.751 10.526 1.593 10 HE2 MET 1 1HE MET 1 -3.378 9.095 2.554 11 HE3 MET 1 2HE MET 1 -2.506 10.602 2.840 12 H GLU 2 H GLU 2 -3.469 10.635 7.007 13 HA GLU 2 HA GLU 2 -1.132 9.091 6.073 14 HB2 GLU 2 2HB GLU 2 -2.659 8.981 8.688 15 HB3 GLU 2 3HB GLU 2 -1.414 7.827 8.237 16 HG2 GLU 2 2HG GLU 2 -0.510 9.488 9.741 17 HG3 GLU 2 3HG GLU 2 0.241 9.629 8.155 18 H MET 3 H MET 3 -1.374 6.894 5.553 19 HA MET 3 HA MET 3 -4.089 5.808 5.375 20 HB2 MET 3 2HB MET 3 -3.712 5.239 2.946 21 HB3 MET 3 3HB MET 3 -3.954 6.945 3.290 22 HG2 MET 3 2HG MET 3 -1.469 7.231 3.225 23 HG3 MET 3 3HG MET 3 -1.350 5.560 2.672 24 HE1 MET 3 3HE MET 3 -2.431 4.710 0.341 25 HE2 MET 3 1HE MET 3 -3.339 5.768 -0.739 26 HE3 MET 3 2HE MET 3 -3.985 5.370 0.852 27 H ASP 4 H ASP 4 -4.022 3.821 6.179 28 HA ASP 4 HA ASP 4 -1.570 2.222 6.077 29 HB2 ASP 4 2HB ASP 4 -4.230 1.745 7.452 30 HB3 ASP 4 3HB ASP 4 -2.840 0.672 7.573 31 H ILE 5 H ILE 5 -1.280 0.520 4.716 32 HA ILE 5 HA ILE 5 -3.629 -0.630 3.340 33 HB ILE 5 HB ILE 5 -0.993 -0.012 1.974 34 HG12 ILE 5 2HG1 ILE 5 -3.698 1.321 1.626 35 HG13 ILE 5 3HG1 ILE 5 -2.310 2.040 2.435 36 HG21 ILE 5 1HG2 ILE 5 -3.583 -1.145 0.902 37 HG22 ILE 5 2HG2 ILE 5 -2.050 -2.002 1.074 38 HG23 ILE 5 3HG2 ILE 5 -2.195 -0.679 -0.082 39 HD11 ILE 5 3HD1 ILE 5 -1.066 2.007 0.342 40 HD12 ILE 5 1HD1 ILE 5 -2.579 2.897 0.177 41 HD13 ILE 5 2HD1 ILE 5 -2.443 1.264 -0.472 42 H ARG 6 H ARG 6 -3.723 -2.726 3.941 43 HA ARG 6 HA ARG 6 -1.226 -4.186 4.477 44 HB2 ARG 6 2HB ARG 6 -4.070 -4.893 5.238 45 HB3 ARG 6 3HB ARG 6 -2.633 -5.803 5.689 46 HG2 ARG 6 2HG ARG 6 -1.815 -3.813 6.926 47 HG3 ARG 6 3HG ARG 6 -3.334 -2.998 6.547 48 HD2 ARG 6 2HD ARG 6 -3.429 -3.933 8.782 49 HD3 ARG 6 3HD ARG 6 -4.564 -4.777 7.728 50 HE ARG 6 HE ARG 6 -2.323 -6.314 7.613 51 HH11 ARG 6 1HH1 ARG 6 -4.212 -5.083 10.220 52 HH12 ARG 6 2HH1 ARG 6 -3.850 -6.425 11.248 53 HH21 ARG 6 1HH2 ARG 6 -1.853 -8.008 8.928 54 HH22 ARG 6 2HH2 ARG 6 -2.503 -8.059 10.530 55 H PHE 7 H PHE 7 -0.486 -5.567 3.004 56 HA PHE 7 HA PHE 7 -2.312 -6.646 0.957 57 HB2 PHE 7 2HB PHE 7 0.709 -6.456 1.058 58 HB3 PHE 7 3HB PHE 7 -0.168 -7.302 -0.211 59 HD1 PHE 7 HD1 PHE 7 -1.612 -6.045 -1.768 60 HD2 PHE 7 HD2 PHE 7 0.878 -4.074 1.070 61 HE1 PHE 7 HE1 PHE 7 -1.818 -3.951 -3.044 62 HE2 PHE 7 HE2 PHE 7 0.671 -1.980 -0.198 63 HZ PHE 7 HZ PHE 7 -0.676 -1.916 -2.260 64 H ARG 8 H ARG 8 -2.931 -8.719 1.002 65 HA ARG 8 HA ARG 8 -1.269 -10.737 2.357 66 HB2 ARG 8 2HB ARG 8 -2.946 -9.958 3.997 67 HB3 ARG 8 3HB ARG 8 -4.234 -10.338 2.862 68 HG2 ARG 8 2HG ARG 8 -3.574 -12.720 2.955 69 HG3 ARG 8 3HG ARG 8 -2.351 -12.310 4.158 70 HD2 ARG 8 2HD ARG 8 -5.320 -11.844 4.468 71 HD3 ARG 8 3HD ARG 8 -4.435 -13.208 5.151 72 HE ARG 8 HE ARG 8 -3.142 -10.985 6.102 73 HH11 ARG 8 1HH1 ARG 8 -6.342 -12.253 6.263 74 HH12 ARG 8 2HH1 ARG 8 -6.693 -11.473 7.766 75 HH21 ARG 8 1HH2 ARG 8 -3.594 -10.011 8.047 76 HH22 ARG 8 2HH2 ARG 8 -5.160 -10.209 8.761 77 H GLY 9 H GLY 9 -1.170 -12.647 1.222 78 HA2 GLY 9 2HA GLY 9 -3.224 -13.889 -0.137 79 HA3 GLY 9 3HA GLY 9 -2.495 -12.814 -1.311 80 H ASP 10 H ASP 10 -2.299 -15.028 -2.331 81 HA ASP 10 HA ASP 10 -0.243 -16.776 -1.253 82 HB2 ASP 10 2HB ASP 10 -1.907 -17.020 -3.774 83 HB3 ASP 10 3HB ASP 10 -0.874 -18.278 -3.097 84 H ASP 11 H ASP 11 1.584 -15.380 -1.486 85 HA ASP 11 HA ASP 11 3.214 -16.075 -3.636 86 HB2 ASP 11 2HB ASP 11 1.674 -14.330 -4.778 87 HB3 ASP 11 3HB ASP 11 2.536 -13.131 -3.822 88 H LEU 12 H LEU 12 5.371 -14.912 -3.528 89 HA LEU 12 HA LEU 12 5.868 -13.919 -0.788 90 HB2 LEU 12 2HB LEU 12 6.909 -16.102 -1.290 91 HB3 LEU 12 3HB LEU 12 7.772 -15.375 -2.634 92 HG LEU 12 HG LEU 12 8.980 -13.905 -1.041 93 HD11 LEU 12 1HD1 LEU 12 7.559 -15.527 1.073 94 HD12 LEU 12 2HD1 LEU 12 7.321 -13.812 0.736 95 HD13 LEU 12 3HD1 LEU 12 8.869 -14.378 1.361 96 HD21 LEU 12 3HD2 LEU 12 10.440 -15.618 -0.128 97 HD22 LEU 12 1HD2 LEU 12 9.951 -16.045 -1.767 98 HD23 LEU 12 2HD2 LEU 12 9.200 -16.846 -0.386 99 H GLU 13 H GLU 13 6.875 -13.586 -4.183 100 HA GLU 13 HA GLU 13 8.527 -11.322 -3.834 101 HB2 GLU 13 2HB GLU 13 7.035 -12.331 -6.262 102 HB3 GLU 13 3HB GLU 13 8.138 -10.966 -6.309 103 HG2 GLU 13 2HG GLU 13 9.271 -12.929 -7.094 104 HG3 GLU 13 3HG GLU 13 9.964 -12.433 -5.551 105 H ALA 14 H ALA 14 5.067 -11.673 -4.077 106 HA ALA 14 HA ALA 14 4.245 -9.121 -4.782 107 HB1 ALA 14 3HB ALA 14 2.989 -10.869 -2.667 108 HB2 ALA 14 1HB ALA 14 2.727 -11.024 -4.404 109 HB3 ALA 14 2HB ALA 14 2.196 -9.570 -3.560 110 H PHE 15 H PHE 15 5.639 -10.218 -1.756 111 HA PHE 15 HA PHE 15 5.111 -8.049 -0.077 112 HB2 PHE 15 2HB PHE 15 6.136 -10.044 0.805 113 HB3 PHE 15 3HB PHE 15 7.516 -9.879 -0.274 114 HD1 PHE 15 HD2 PHE 15 5.875 -8.481 2.727 115 HD2 PHE 15 HD1 PHE 15 9.372 -8.502 0.294 116 HE1 PHE 15 HE2 PHE 15 7.093 -7.249 4.469 117 HE2 PHE 15 HE1 PHE 15 10.595 -7.270 2.039 118 HZ PHE 15 HZ PHE 15 9.453 -6.639 4.129 119 H GLU 16 H GLU 16 8.068 -8.562 -2.041 120 HA GLU 16 HA GLU 16 9.040 -5.922 -1.606 121 HB2 GLU 16 2HB GLU 16 10.754 -6.467 -3.265 122 HB3 GLU 16 3HB GLU 16 10.553 -7.777 -2.111 123 HG2 GLU 16 2HG GLU 16 9.270 -9.050 -3.720 124 HG3 GLU 16 3HG GLU 16 9.353 -7.722 -4.877 125 H LYS 17 H LYS 17 7.214 -7.419 -4.240 126 HA LYS 17 HA LYS 17 7.411 -5.388 -6.142 127 HB2 LYS 17 2HB LYS 17 5.350 -7.498 -5.587 128 HB3 LYS 17 3HB LYS 17 5.034 -6.284 -6.818 129 HG2 LYS 17 2HG LYS 17 7.449 -8.094 -6.781 130 HG3 LYS 17 3HG LYS 17 5.978 -8.387 -7.713 131 HD2 LYS 17 2HD LYS 17 7.807 -5.992 -7.999 132 HD3 LYS 17 3HD LYS 17 7.730 -7.369 -9.099 133 HE2 LYS 17 2HE LYS 17 5.484 -6.815 -9.742 134 HE3 LYS 17 3HE LYS 17 5.378 -5.574 -8.497 135 HZ1 LYS 17 3HZ LYS 17 7.175 -4.375 -9.679 136 HZ2 LYS 17 1HZ LYS 17 5.754 -4.534 -10.586 137 HZ3 LYS 17 2HZ LYS 17 7.083 -5.516 -10.925 138 H ALA 18 H ALA 18 4.818 -5.828 -3.708 139 HA ALA 18 HA ALA 18 3.453 -3.443 -4.422 140 HB1 ALA 18 3HB ALA 18 2.138 -3.806 -2.417 141 HB2 ALA 18 1HB ALA 18 3.320 -4.972 -1.824 142 HB3 ALA 18 2HB ALA 18 2.377 -5.329 -3.273 143 H LEU 19 H LEU 19 5.704 -4.167 -1.746 144 HA LEU 19 HA LEU 19 5.575 -1.630 -0.521 145 HB2 LEU 19 2HB LEU 19 6.410 -3.643 0.599 146 HB3 LEU 19 3HB LEU 19 7.794 -3.679 -0.476 147 HG LEU 19 HG LEU 19 8.576 -1.529 0.472 148 HD11 LEU 19 1HD1 LEU 19 6.432 -0.598 1.153 149 HD12 LEU 19 2HD1 LEU 19 7.551 -0.655 2.514 150 HD13 LEU 19 3HD1 LEU 19 6.261 -1.850 2.383 151 HD21 LEU 19 3HD2 LEU 19 9.272 -2.411 2.652 152 HD22 LEU 19 1HD2 LEU 19 9.423 -3.623 1.380 153 HD23 LEU 19 2HD2 LEU 19 8.073 -3.699 2.513 154 H LYS 20 H LYS 20 7.928 -2.943 -2.854 155 HA LYS 20 HA LYS 20 9.727 -0.781 -2.785 156 HB2 LYS 20 2HB LYS 20 9.850 -3.227 -3.860 157 HB3 LYS 20 3HB LYS 20 9.420 -2.342 -5.315 158 HG2 LYS 20 2HG LYS 20 11.797 -2.566 -5.228 159 HG3 LYS 20 3HG LYS 20 11.392 -0.872 -4.936 160 HD2 LYS 20 2HD LYS 20 11.729 -1.144 -2.561 161 HD3 LYS 20 3HD LYS 20 11.951 -2.884 -2.749 162 HE2 LYS 20 2HE LYS 20 14.093 -1.756 -2.450 163 HE3 LYS 20 3HE LYS 20 13.985 -2.485 -4.051 164 HZ1 LYS 20 3HZ LYS 20 14.925 -0.258 -4.122 165 HZ2 LYS 20 1HZ LYS 20 13.519 0.381 -3.439 166 HZ3 LYS 20 2HZ LYS 20 13.470 -0.327 -4.971 167 H GLU 21 H GLU 21 7.127 -1.503 -5.138 168 HA GLU 21 HA GLU 21 7.546 0.750 -6.774 169 HB2 GLU 21 2HB GLU 21 5.046 -0.892 -6.327 170 HB3 GLU 21 3HB GLU 21 5.219 0.312 -7.595 171 HG2 GLU 21 2HG GLU 21 6.879 -2.190 -7.298 172 HG3 GLU 21 3HG GLU 21 5.566 -1.949 -8.447 173 H MET 22 H MET 22 5.324 0.302 -4.007 174 HA MET 22 HA MET 22 4.066 2.813 -4.152 175 HB2 MET 22 2HB MET 22 4.607 1.040 -1.759 176 HB3 MET 22 3HB MET 22 3.605 2.486 -1.694 177 HG2 MET 22 2HG MET 22 3.088 0.050 -3.397 178 HG3 MET 22 3HG MET 22 2.249 0.472 -1.906 179 HE1 MET 22 3HE MET 22 1.852 3.596 -2.143 180 HE2 MET 22 1HE MET 22 0.555 2.498 -1.670 181 HE3 MET 22 2HE MET 22 0.281 3.691 -2.940 182 H ILE 23 H ILE 23 6.994 1.841 -2.342 183 HA ILE 23 HA ILE 23 7.570 4.387 -1.263 184 HB ILE 23 HB ILE 23 9.474 2.141 -1.980 185 HG12 ILE 23 2HG1 ILE 23 8.194 2.913 0.661 186 HG13 ILE 23 3HG1 ILE 23 7.770 1.513 -0.317 187 HG21 ILE 23 1HG2 ILE 23 9.958 4.561 -0.232 188 HG22 ILE 23 2HG2 ILE 23 10.670 4.271 -1.821 189 HG23 ILE 23 3HG2 ILE 23 11.075 3.217 -0.465 190 HD11 ILE 23 3HD1 ILE 23 10.401 1.996 1.066 191 HD12 ILE 23 1HD1 ILE 23 10.027 0.609 0.039 192 HD13 ILE 23 2HD1 ILE 23 9.145 0.855 1.546 193 H ARG 24 H ARG 24 8.524 2.850 -4.308 194 HA ARG 24 HA ARG 24 10.341 4.749 -5.248 195 HB2 ARG 24 2HB ARG 24 9.904 2.465 -6.196 196 HB3 ARG 24 3HB ARG 24 8.431 3.090 -6.916 197 HG2 ARG 24 2HG ARG 24 11.042 4.411 -7.544 198 HG3 ARG 24 3HG ARG 24 10.630 2.884 -8.321 199 HD2 ARG 24 2HD ARG 24 8.538 3.897 -9.157 200 HD3 ARG 24 3HD ARG 24 9.000 5.427 -8.409 201 HE ARG 24 HE ARG 24 10.856 5.543 -9.948 202 HH11 ARG 24 1HH1 ARG 24 8.440 3.196 -10.683 203 HH12 ARG 24 2HH1 ARG 24 8.878 3.114 -12.352 204 HH21 ARG 24 1HH2 ARG 24 11.384 5.445 -12.090 205 HH22 ARG 24 2HH2 ARG 24 10.522 4.378 -13.145 206 H GLN 25 H GLN 25 6.801 4.655 -5.565 207 HA GLN 25 HA GLN 25 6.647 7.119 -7.036 208 HB2 GLN 25 2HB GLN 25 4.545 5.527 -5.550 209 HB3 GLN 25 3HB GLN 25 4.191 6.981 -6.473 210 HG2 GLN 25 2HG GLN 25 5.371 4.437 -7.580 211 HG3 GLN 25 3HG GLN 25 3.694 4.961 -7.745 212 HE21 GLN 25 1HE2 GLN 25 6.966 5.493 -8.770 213 HE22 GLN 25 2HE2 GLN 25 6.599 6.513 -10.111 214 H ALA 26 H ALA 26 6.034 6.265 -3.621 215 HA ALA 26 HA ALA 26 5.113 8.780 -2.793 216 HB1 ALA 26 3HB ALA 26 5.457 7.998 -0.527 217 HB2 ALA 26 1HB ALA 26 6.491 6.692 -1.111 218 HB3 ALA 26 2HB ALA 26 4.776 6.711 -1.524 219 H ARG 27 H ARG 27 8.422 7.502 -2.866 220 HA ARG 27 HA ARG 27 9.701 9.484 -1.374 221 HB2 ARG 27 2HB ARG 27 11.769 8.824 -2.490 222 HB3 ARG 27 3HB ARG 27 10.818 7.416 -2.046 223 HG2 ARG 27 2HG ARG 27 10.965 6.680 -4.136 224 HG3 ARG 27 3HG ARG 27 10.058 8.088 -4.684 225 HD2 ARG 27 2HD ARG 27 13.059 7.953 -4.347 226 HD3 ARG 27 3HD ARG 27 12.191 7.829 -5.876 227 HE ARG 27 HE ARG 27 11.832 10.250 -4.274 228 HH11 ARG 27 1HH1 ARG 27 13.257 8.743 -7.030 229 HH12 ARG 27 2HH1 ARG 27 13.559 10.247 -7.822 230 HH21 ARG 27 1HH2 ARG 27 12.219 12.164 -5.310 231 HH22 ARG 27 2HH2 ARG 27 12.956 12.155 -6.876 232 H LYS 28 H LYS 28 8.495 9.604 -4.640 233 HA LYS 28 HA LYS 28 9.835 11.809 -5.695 234 HB2 LYS 28 2HB LYS 28 8.192 10.367 -6.899 235 HB3 LYS 28 3HB LYS 28 6.895 11.143 -6.004 236 HG2 LYS 28 2HG LYS 28 7.627 13.323 -7.016 237 HG3 LYS 28 3HG LYS 28 8.727 12.398 -8.039 238 HD2 LYS 28 2HD LYS 28 5.712 12.210 -7.955 239 HD3 LYS 28 3HD LYS 28 6.702 12.832 -9.274 240 HE2 LYS 28 2HE LYS 28 6.688 9.975 -8.285 241 HE3 LYS 28 3HE LYS 28 5.856 10.564 -9.722 242 HZ1 LYS 28 3HZ LYS 28 8.793 10.690 -9.310 243 HZ2 LYS 28 1HZ LYS 28 7.950 11.112 -10.715 244 HZ3 LYS 28 2HZ LYS 28 7.996 9.501 -10.211 245 H PHE 29 H PHE 29 7.289 11.655 -3.296 246 HA PHE 29 HA PHE 29 7.210 14.605 -3.114 247 HB2 PHE 29 2HB PHE 29 5.143 12.625 -2.114 248 HB3 PHE 29 3HB PHE 29 4.990 14.378 -2.145 249 HD1 PHE 29 HD1 PHE 29 4.976 15.534 -4.417 250 HD2 PHE 29 HD2 PHE 29 4.460 11.329 -3.950 251 HE1 PHE 29 HE1 PHE 29 3.960 15.409 -6.651 252 HE2 PHE 29 HE2 PHE 29 3.443 11.206 -6.187 253 HZ PHE 29 HZ PHE 29 3.193 13.248 -7.539 254 H ALA 30 H ALA 30 6.141 14.960 -0.642 255 HA ALA 30 HA ALA 30 8.287 14.218 1.162 256 HB1 ALA 30 3HB ALA 30 7.138 15.687 2.762 257 HB2 ALA 30 1HB ALA 30 5.795 15.867 1.628 258 HB3 ALA 30 2HB ALA 30 7.394 16.483 1.210 259 H GLY 31 H GLY 31 6.128 12.256 0.130 260 HA2 GLY 31 2HA GLY 31 4.681 11.467 2.502 261 HA3 GLY 31 3HA GLY 31 4.675 10.649 0.949 262 H THR 32 H THR 32 5.799 10.556 4.130 263 HA THR 32 HA THR 32 8.080 8.828 3.650 264 HB THR 32 HB THR 32 6.683 9.447 6.271 265 HG1 THR 32 HG1 THR 32 7.958 11.183 6.426 266 HG21 THR 32 3HG2 THR 32 8.082 7.454 6.401 267 HG22 THR 32 1HG2 THR 32 8.830 8.783 7.284 268 HG23 THR 32 2HG2 THR 32 9.434 8.335 5.689 269 H VAL 33 H VAL 33 8.126 6.602 3.785 270 HA VAL 33 HA VAL 33 5.519 5.261 4.184 271 HB VAL 33 HB VAL 33 7.841 4.303 2.497 272 HG11 VAL 33 1HG1 VAL 33 6.251 2.618 1.662 273 HG12 VAL 33 2HG1 VAL 33 5.033 3.213 2.790 274 HG13 VAL 33 3HG1 VAL 33 6.507 2.462 3.400 275 HG21 VAL 33 3HG2 VAL 33 5.204 5.501 1.625 276 HG22 VAL 33 1HG2 VAL 33 6.457 4.861 0.560 277 HG23 VAL 33 2HG2 VAL 33 6.775 6.297 1.535 278 H THR 34 H THR 34 5.345 3.957 5.876 279 HA THR 34 HA THR 34 7.730 2.507 6.866 280 HB THR 34 HB THR 34 7.124 4.059 8.597 281 HG1 THR 34 HG1 THR 34 7.541 2.332 9.774 282 HG21 THR 34 3HG2 THR 34 4.857 4.099 9.592 283 HG22 THR 34 1HG2 THR 34 4.299 3.004 8.329 284 HG23 THR 34 2HG2 THR 34 4.863 4.623 7.909 285 H TYR 35 H TYR 35 7.333 0.328 7.660 286 HA TYR 35 HA TYR 35 4.746 -0.837 6.967 287 HB2 TYR 35 2HB TYR 35 5.699 -2.560 5.536 288 HB3 TYR 35 3HB TYR 35 6.070 -0.967 4.893 289 HD1 TYR 35 HD2 TYR 35 8.401 -0.036 5.217 290 HD2 TYR 35 HD1 TYR 35 7.425 -4.091 6.078 291 HE1 TYR 35 HE2 TYR 35 10.786 -0.629 5.113 292 HE2 TYR 35 HE1 TYR 35 9.803 -4.692 5.972 293 HH TYR 35 HH TYR 35 12.288 -2.412 5.993 294 H THR 36 H THR 36 4.179 -2.625 8.123 295 HA THR 36 HA THR 36 6.216 -3.919 9.827 296 HB THR 36 HB THR 36 4.539 -4.094 11.665 297 HG1 THR 36 HG1 THR 36 2.584 -3.766 10.648 298 HG21 THR 36 3HG2 THR 36 4.737 -1.788 12.463 299 HG22 THR 36 1HG2 THR 36 5.157 -1.249 10.838 300 HG23 THR 36 2HG2 THR 36 6.245 -2.320 11.720 301 H LEU 37 H LEU 37 6.090 -6.116 9.918 302 HA LEU 37 HA LEU 37 4.127 -7.441 8.219 303 HB2 LEU 37 2HB LEU 37 6.625 -8.364 9.627 304 HB3 LEU 37 3HB LEU 37 5.517 -9.514 8.906 305 HG LEU 37 HG LEU 37 7.362 -9.091 7.402 306 HD11 LEU 37 1HD1 LEU 37 6.136 -8.464 5.400 307 HD12 LEU 37 2HD1 LEU 37 4.840 -7.787 6.386 308 HD13 LEU 37 3HD1 LEU 37 5.166 -9.521 6.425 309 HD21 LEU 37 3HD2 LEU 37 6.535 -6.185 7.466 310 HD22 LEU 37 1HD2 LEU 37 7.779 -6.889 6.431 311 HD23 LEU 37 2HD2 LEU 37 7.999 -6.865 8.179 312 H ASP 38 H ASP 38 2.334 -8.456 8.940 313 HA ASP 38 HA ASP 38 2.237 -9.249 11.784 314 HB2 ASP 38 2HB ASP 38 0.795 -7.295 11.363 315 HB3 ASP 38 3HB ASP 38 -0.068 -8.199 10.121 316 H GLY 39 H GLY 39 2.812 -11.388 11.423 317 HA2 GLY 39 2HA GLY 39 2.209 -13.610 11.310 318 HA3 GLY 39 3HA GLY 39 0.587 -13.105 10.874 319 H ASN 40 H ASN 40 0.311 -12.376 8.547 320 HA ASN 40 HA ASN 40 2.118 -13.797 6.714 321 HB2 ASN 40 2HB ASN 40 0.154 -14.869 5.605 322 HB3 ASN 40 3HB ASN 40 0.427 -15.436 7.249 323 HD21 ASN 40 1HD2 ASN 40 -1.001 -14.748 8.897 324 HD22 ASN 40 2HD2 ASN 40 -2.576 -14.155 8.517 325 H ASP 41 H ASP 41 0.921 -10.909 7.343 326 HA ASP 41 HA ASP 41 0.771 -10.210 4.495 327 HB2 ASP 41 2HB ASP 41 -1.088 -8.676 4.864 328 HB3 ASP 41 3HB ASP 41 -1.539 -10.320 5.294 329 H LEU 42 H LEU 42 1.128 -7.934 4.028 330 HA LEU 42 HA LEU 42 3.086 -6.758 5.894 331 HB2 LEU 42 2HB LEU 42 4.000 -7.328 3.724 332 HB3 LEU 42 3HB LEU 42 2.724 -6.442 2.910 333 HG LEU 42 HG LEU 42 3.612 -4.324 3.813 334 HD11 LEU 42 1HD1 LEU 42 4.597 -5.143 5.876 335 HD12 LEU 42 2HD1 LEU 42 5.802 -4.282 4.918 336 HD13 LEU 42 3HD1 LEU 42 5.809 -6.046 4.965 337 HD21 LEU 42 3HD2 LEU 42 5.625 -4.213 2.443 338 HD22 LEU 42 1HD2 LEU 42 4.357 -5.120 1.620 339 HD23 LEU 42 2HD2 LEU 42 5.699 -5.974 2.380 340 H GLU 43 H GLU 43 2.424 -5.049 7.034 341 HA GLU 43 HA GLU 43 0.179 -3.409 6.139 342 HB2 GLU 43 2HB GLU 43 1.810 -3.153 8.679 343 HB3 GLU 43 3HB GLU 43 0.237 -2.437 8.353 344 HG2 GLU 43 2HG GLU 43 -0.776 -4.655 8.307 345 HG3 GLU 43 3HG GLU 43 0.800 -5.389 8.592 346 H ILE 44 H ILE 44 0.781 -1.936 4.612 347 HA ILE 44 HA ILE 44 3.238 -0.361 5.000 348 HB ILE 44 HB ILE 44 1.448 -0.545 2.559 349 HG12 ILE 44 2HG1 ILE 44 4.166 -1.790 3.081 350 HG13 ILE 44 3HG1 ILE 44 2.638 -2.661 3.049 351 HG21 ILE 44 1HG2 ILE 44 2.626 1.595 2.699 352 HG22 ILE 44 2HG2 ILE 44 3.271 0.611 1.387 353 HG23 ILE 44 3HG2 ILE 44 4.161 0.750 2.904 354 HD11 ILE 44 3HD1 ILE 44 2.359 -2.062 0.691 355 HD12 ILE 44 1HD1 ILE 44 3.844 -2.968 0.980 356 HD13 ILE 44 2HD1 ILE 44 3.911 -1.224 0.733 357 H ARG 45 H ARG 45 2.885 1.450 6.182 358 HA ARG 45 HA ARG 45 0.456 3.034 5.625 359 HB2 ARG 45 2HB ARG 45 0.491 2.375 7.921 360 HB3 ARG 45 3HB ARG 45 2.168 2.871 8.104 361 HG2 ARG 45 2HG ARG 45 1.589 5.184 7.956 362 HG3 ARG 45 3HG ARG 45 -0.065 4.798 7.475 363 HD2 ARG 45 2HD ARG 45 0.148 5.496 9.848 364 HD3 ARG 45 3HD ARG 45 -0.547 3.890 9.644 365 HE ARG 45 HE ARG 45 2.287 4.308 10.364 366 HH11 ARG 45 1HH1 ARG 45 -0.720 2.665 10.744 367 HH12 ARG 45 2HH1 ARG 45 -0.144 1.695 12.056 368 HH21 ARG 45 1HH2 ARG 45 3.029 3.002 12.018 369 HH22 ARG 45 2HH2 ARG 45 1.943 1.882 12.762 370 H ILE 46 H ILE 46 0.670 4.925 4.627 371 HA ILE 46 HA ILE 46 3.356 6.139 4.460 372 HB ILE 46 HB ILE 46 1.015 6.684 2.621 373 HG12 ILE 46 2HG1 ILE 46 3.340 4.770 2.220 374 HG13 ILE 46 3HG1 ILE 46 1.661 4.308 2.472 375 HG21 ILE 46 1HG2 ILE 46 3.972 7.267 2.353 376 HG22 ILE 46 2HG2 ILE 46 2.703 8.447 2.681 377 HG23 ILE 46 3HG2 ILE 46 2.743 7.602 1.133 378 HD11 ILE 46 3HD1 ILE 46 1.074 5.446 0.361 379 HD12 ILE 46 1HD1 ILE 46 2.213 4.116 0.149 380 HD13 ILE 46 2HD1 ILE 46 2.786 5.782 0.104 381 H THR 47 H THR 47 3.665 8.296 4.990 382 HA THR 47 HA THR 47 1.399 9.630 6.353 383 HB THR 47 HB THR 47 4.322 9.698 7.156 384 HG1 THR 47 HG1 THR 47 3.798 7.930 8.177 385 HG21 THR 47 3HG2 THR 47 3.223 11.804 7.703 386 HG22 THR 47 1HG2 THR 47 3.511 10.875 9.172 387 HG23 THR 47 2HG2 THR 47 1.893 10.937 8.473 388 H GLY 48 H GLY 48 0.903 11.631 5.687 389 HA2 GLY 48 2HA GLY 48 1.183 13.834 5.068 390 HA3 GLY 48 3HA GLY 48 2.916 13.591 5.139 391 H VAL 49 H VAL 49 0.609 11.883 3.038 392 HA VAL 49 HA VAL 49 2.040 12.923 0.700 393 HB VAL 49 HB VAL 49 0.611 11.290 -0.595 394 HG11 VAL 49 1HG1 VAL 49 2.381 10.171 1.581 395 HG12 VAL 49 2HG1 VAL 49 2.904 10.763 0.004 396 HG13 VAL 49 3HG1 VAL 49 1.898 9.320 0.114 397 HG21 VAL 49 3HG2 VAL 49 -0.510 9.498 0.657 398 HG22 VAL 49 1HG2 VAL 49 -1.234 11.071 0.993 399 HG23 VAL 49 2HG2 VAL 49 -0.149 10.329 2.171 400 HA PRO 50 HA PRO 50 -1.002 15.890 -0.612 401 HB2 PRO 50 2HB PRO 50 -1.154 15.187 -3.313 402 HB3 PRO 50 3HB PRO 50 0.012 16.303 -2.600 403 HG2 PRO 50 2HG PRO 50 0.334 13.409 -3.284 404 HG3 PRO 50 3HG PRO 50 1.496 14.739 -3.450 405 HD2 PRO 50 2HD PRO 50 1.692 12.966 -1.454 406 HD3 PRO 50 3HD PRO 50 2.063 14.686 -1.191 407 H GLU 51 H GLU 51 -3.056 15.676 -0.038 408 HA GLU 51 HA GLU 51 -4.564 13.378 0.058 409 HB2 GLU 51 2HB GLU 51 -6.566 15.126 -0.030 410 HB3 GLU 51 3HB GLU 51 -5.504 14.991 1.359 411 HG2 GLU 51 2HG GLU 51 -5.943 17.317 0.759 412 HG3 GLU 51 3HG GLU 51 -4.233 16.920 0.636 413 H GLN 52 H GLN 52 -4.185 15.520 -2.699 414 HA GLN 52 HA GLN 52 -6.370 14.415 -4.185 415 HB2 GLN 52 2HB GLN 52 -5.467 15.695 -6.081 416 HB3 GLN 52 3HB GLN 52 -5.633 16.676 -4.632 417 HG2 GLN 52 2HG GLN 52 -3.222 16.449 -4.220 418 HG3 GLN 52 3HG GLN 52 -3.068 15.507 -5.705 419 HE21 GLN 52 1HE2 GLN 52 -1.821 18.043 -5.000 420 HE22 GLN 52 2HE2 GLN 52 -2.313 19.174 -6.214 421 H VAL 53 H VAL 53 -2.821 13.918 -4.333 422 HA VAL 53 HA VAL 53 -2.925 12.044 -6.477 423 HB VAL 53 HB VAL 53 -0.777 12.388 -4.364 424 HG11 VAL 53 1HG1 VAL 53 -0.657 11.053 -7.074 425 HG12 VAL 53 2HG1 VAL 53 -0.535 10.256 -5.504 426 HG13 VAL 53 3HG1 VAL 53 0.730 11.368 -6.030 427 HG21 VAL 53 3HG2 VAL 53 0.355 13.793 -6.039 428 HG22 VAL 53 1HG2 VAL 53 -1.204 14.468 -5.562 429 HG23 VAL 53 2HG2 VAL 53 -1.040 13.635 -7.109 430 H ARG 54 H ARG 54 -3.529 11.807 -3.104 431 HA ARG 54 HA ARG 54 -3.146 9.205 -2.381 432 HB2 ARG 54 2HB ARG 54 -4.077 10.732 -0.814 433 HB3 ARG 54 3HB ARG 54 -5.462 11.062 -1.844 434 HG2 ARG 54 2HG ARG 54 -6.240 8.732 -1.469 435 HG3 ARG 54 3HG ARG 54 -4.905 8.510 -0.336 436 HD2 ARG 54 2HD ARG 54 -7.105 9.088 0.728 437 HD3 ARG 54 3HD ARG 54 -5.778 10.173 1.140 438 HE ARG 54 HE ARG 54 -6.748 11.689 -0.619 439 HH11 ARG 54 1HH1 ARG 54 -8.766 9.403 0.992 440 HH12 ARG 54 2HH1 ARG 54 -10.172 10.397 0.856 441 HH21 ARG 54 1HH2 ARG 54 -8.562 12.955 -0.751 442 HH22 ARG 54 2HH2 ARG 54 -10.054 12.374 -0.103 443 H LYS 55 H LYS 55 -5.610 10.386 -4.628 444 HA LYS 55 HA LYS 55 -7.237 8.099 -4.709 445 HB2 LYS 55 2HB LYS 55 -8.050 8.938 -6.856 446 HB3 LYS 55 3HB LYS 55 -7.931 10.230 -5.673 447 HG2 LYS 55 2HG LYS 55 -5.745 10.876 -6.720 448 HG3 LYS 55 3HG LYS 55 -6.069 9.688 -7.984 449 HD2 LYS 55 2HD LYS 55 -6.737 11.892 -8.746 450 HD3 LYS 55 3HD LYS 55 -8.169 10.884 -8.526 451 HE2 LYS 55 2HE LYS 55 -8.584 11.950 -6.352 452 HE3 LYS 55 3HE LYS 55 -7.144 12.946 -6.563 453 HZ1 LYS 55 3HZ LYS 55 -9.058 14.213 -7.153 454 HZ2 LYS 55 1HZ LYS 55 -9.609 13.011 -8.212 455 HZ3 LYS 55 2HZ LYS 55 -8.202 13.879 -8.572 456 H GLU 56 H GLU 56 -4.380 8.937 -6.666 457 HA GLU 56 HA GLU 56 -4.461 6.513 -8.198 458 HB2 GLU 56 2HB GLU 56 -2.225 8.531 -7.837 459 HB3 GLU 56 3HB GLU 56 -2.226 7.227 -9.017 460 HG2 GLU 56 2HG GLU 56 -4.159 9.538 -8.919 461 HG3 GLU 56 3HG GLU 56 -2.810 9.354 -10.038 462 H LEU 57 H LEU 57 -2.800 7.566 -5.271 463 HA LEU 57 HA LEU 57 -0.978 5.425 -5.043 464 HB2 LEU 57 2HB LEU 57 -2.275 7.073 -2.868 465 HB3 LEU 57 3HB LEU 57 -0.895 6.016 -2.635 466 HG LEU 57 HG LEU 57 -0.941 8.489 -4.374 467 HD11 LEU 57 1HD1 LEU 57 -1.002 9.023 -2.002 468 HD12 LEU 57 2HD1 LEU 57 0.565 9.431 -2.697 469 HD13 LEU 57 3HD1 LEU 57 0.388 7.976 -1.715 470 HD21 LEU 57 3HD2 LEU 57 1.470 8.137 -4.602 471 HD22 LEU 57 1HD2 LEU 57 0.559 6.787 -5.277 472 HD23 LEU 57 2HD2 LEU 57 1.341 6.625 -3.704 473 H ALA 58 H ALA 58 -4.234 5.836 -3.634 474 HA ALA 58 HA ALA 58 -4.349 3.246 -2.457 475 HB1 ALA 58 3HB ALA 58 -5.783 5.117 -1.739 476 HB2 ALA 58 1HB ALA 58 -6.725 3.686 -2.153 477 HB3 ALA 58 2HB ALA 58 -6.639 5.043 -3.279 478 H LYS 59 H LYS 59 -5.420 4.549 -5.567 479 HA LYS 59 HA LYS 59 -6.709 2.301 -6.611 480 HB2 LYS 59 2HB LYS 59 -6.737 4.556 -7.621 481 HB3 LYS 59 3HB LYS 59 -5.051 4.369 -8.077 482 HG2 LYS 59 2HG LYS 59 -5.663 2.500 -9.551 483 HG3 LYS 59 3HG LYS 59 -7.357 2.711 -9.102 484 HD2 LYS 59 2HD LYS 59 -5.617 4.761 -10.486 485 HD3 LYS 59 3HD LYS 59 -6.872 3.786 -11.247 486 HE2 LYS 59 2HE LYS 59 -8.575 4.854 -9.885 487 HE3 LYS 59 3HE LYS 59 -7.343 5.763 -9.010 488 HZ1 LYS 59 3HZ LYS 59 -7.891 6.012 -11.919 489 HZ2 LYS 59 1HZ LYS 59 -6.779 6.923 -11.026 490 HZ3 LYS 59 2HZ LYS 59 -8.440 7.084 -10.733 491 H GLU 60 H GLU 60 -3.274 3.212 -6.726 492 HA GLU 60 HA GLU 60 -2.328 1.056 -8.243 493 HB2 GLU 60 2HB GLU 60 -0.971 3.052 -7.724 494 HB3 GLU 60 3HB GLU 60 -0.902 2.568 -6.037 495 HG2 GLU 60 2HG GLU 60 1.165 1.976 -7.067 496 HG3 GLU 60 3HG GLU 60 0.279 0.493 -6.728 497 H ALA 61 H ALA 61 -2.763 1.380 -4.722 498 HA ALA 61 HA ALA 61 -1.714 -1.042 -3.868 499 HB1 ALA 61 3HB ALA 61 -2.492 0.714 -2.345 500 HB2 ALA 61 1HB ALA 61 -3.188 -0.853 -1.932 501 HB3 ALA 61 2HB ALA 61 -4.163 0.352 -2.776 502 H GLU 62 H GLU 62 -5.073 -0.395 -4.909 503 HA GLU 62 HA GLU 62 -5.994 -3.056 -4.698 504 HB2 GLU 62 2HB GLU 62 -6.958 -0.821 -6.502 505 HB3 GLU 62 3HB GLU 62 -7.833 -2.317 -6.197 506 HG2 GLU 62 2HG GLU 62 -7.983 -1.737 -3.816 507 HG3 GLU 62 3HG GLU 62 -7.125 -0.230 -4.138 508 H ARG 63 H ARG 63 -4.410 -1.323 -7.331 509 HA ARG 63 HA ARG 63 -4.701 -3.364 -9.296 510 HB2 ARG 63 2HB ARG 63 -4.236 -1.024 -9.870 511 HB3 ARG 63 3HB ARG 63 -2.671 -1.126 -9.078 512 HG2 ARG 63 2HG ARG 63 -2.558 -1.256 -11.549 513 HG3 ARG 63 3HG ARG 63 -1.849 -2.650 -10.733 514 HD2 ARG 63 2HD ARG 63 -3.233 -3.240 -12.717 515 HD3 ARG 63 3HD ARG 63 -3.779 -3.996 -11.222 516 HE ARG 63 HE ARG 63 -5.229 -1.650 -11.514 517 HH11 ARG 63 1HH1 ARG 63 -4.813 -4.592 -13.242 518 HH12 ARG 63 2HH1 ARG 63 -6.435 -4.605 -13.835 519 HH21 ARG 63 1HH2 ARG 63 -7.298 -1.658 -12.293 520 HH22 ARG 63 2HH2 ARG 63 -7.820 -2.935 -13.339 521 H LEU 64 H LEU 64 -2.186 -2.650 -6.913 522 HA LEU 64 HA LEU 64 -0.298 -4.598 -7.619 523 HB2 LEU 64 2HB LEU 64 -1.045 -3.460 -4.918 524 HB3 LEU 64 3HB LEU 64 0.329 -4.519 -5.166 525 HG LEU 64 HG LEU 64 0.026 -1.867 -6.586 526 HD11 LEU 64 1HD1 LEU 64 1.547 -2.462 -4.042 527 HD12 LEU 64 2HD1 LEU 64 0.098 -1.465 -4.177 528 HD13 LEU 64 3HD1 LEU 64 1.595 -0.948 -4.950 529 HD21 LEU 64 3HD2 LEU 64 2.426 -2.125 -6.975 530 HD22 LEU 64 1HD2 LEU 64 1.523 -3.481 -7.652 531 HD23 LEU 64 2HD2 LEU 64 2.402 -3.677 -6.133 532 H ALA 65 H ALA 65 -3.108 -4.770 -5.459 533 HA ALA 65 HA ALA 65 -2.901 -7.475 -4.746 534 HB1 ALA 65 3HB ALA 65 -5.410 -5.829 -5.081 535 HB2 ALA 65 1HB ALA 65 -4.411 -5.900 -3.631 536 HB3 ALA 65 2HB ALA 65 -5.270 -7.340 -4.181 537 H LYS 66 H LYS 66 -4.702 -5.955 -7.430 538 HA LYS 66 HA LYS 66 -5.756 -8.308 -8.530 539 HB2 LYS 66 2HB LYS 66 -5.103 -5.652 -9.805 540 HB3 LYS 66 3HB LYS 66 -5.908 -6.954 -10.672 541 HG2 LYS 66 2HG LYS 66 -6.935 -5.576 -8.193 542 HG3 LYS 66 3HG LYS 66 -7.511 -5.326 -9.843 543 HD2 LYS 66 2HD LYS 66 -8.216 -7.680 -9.946 544 HD3 LYS 66 3HD LYS 66 -7.649 -7.921 -8.293 545 HE2 LYS 66 2HE LYS 66 -9.885 -6.104 -9.199 546 HE3 LYS 66 3HE LYS 66 -10.042 -7.603 -8.284 547 HZ1 LYS 66 3HZ LYS 66 -8.852 -5.049 -7.369 548 HZ2 LYS 66 1HZ LYS 66 -8.699 -6.502 -6.513 549 HZ3 LYS 66 2HZ LYS 66 -10.224 -5.829 -6.762 550 H GLU 67 H GLU 67 -2.593 -6.813 -8.992 551 HA GLU 67 HA GLU 67 -1.752 -8.201 -11.266 552 HB2 GLU 67 2HB GLU 67 -0.513 -6.306 -10.222 553 HB3 GLU 67 3HB GLU 67 -0.022 -7.378 -8.916 554 HG2 GLU 67 2HG GLU 67 1.181 -8.786 -10.497 555 HG3 GLU 67 3HG GLU 67 0.663 -7.757 -11.829 556 H PHE 68 H PHE 68 -1.759 -9.182 -7.880 557 HA PHE 68 HA PHE 68 -0.869 -11.888 -8.672 558 HB2 PHE 68 2HB PHE 68 -0.827 -10.586 -5.933 559 HB3 PHE 68 3HB PHE 68 -0.250 -12.207 -6.308 560 HD1 PHE 68 HD1 PHE 68 1.819 -12.537 -7.565 561 HD2 PHE 68 HD2 PHE 68 0.456 -8.633 -6.545 562 HE1 PHE 68 HE1 PHE 68 4.040 -11.623 -8.097 563 HE2 PHE 68 HE2 PHE 68 2.677 -7.715 -7.076 564 HZ PHE 68 HZ PHE 68 4.473 -9.214 -7.851 565 H ASN 69 H ASN 69 -3.638 -10.346 -8.372 566 HA ASN 69 HA ASN 69 -5.795 -10.800 -7.830 567 HB2 ASN 69 2HB ASN 69 -4.792 -13.646 -8.057 568 HB3 ASN 69 3HB ASN 69 -6.493 -13.182 -8.015 569 HD21 ASN 69 1HD2 ASN 69 -3.595 -13.258 -9.900 570 HD22 ASN 69 2HD2 ASN 69 -4.324 -12.802 -11.398 571 H ILE 70 H ILE 70 -3.942 -10.426 -5.605 572 HA ILE 70 HA ILE 70 -4.909 -12.253 -3.530 573 HB ILE 70 HB ILE 70 -3.185 -11.273 -2.090 574 HG12 ILE 70 2HG1 ILE 70 -2.505 -9.561 -4.505 575 HG13 ILE 70 3HG1 ILE 70 -3.202 -8.979 -2.998 576 HG21 ILE 70 1HG2 ILE 70 -1.232 -12.131 -3.287 577 HG22 ILE 70 2HG2 ILE 70 -2.128 -12.075 -4.805 578 HG23 ILE 70 3HG2 ILE 70 -2.633 -13.177 -3.524 579 HD11 ILE 70 3HD1 ILE 70 -0.844 -8.491 -3.092 580 HD12 ILE 70 1HD1 ILE 70 -0.475 -10.197 -3.341 581 HD13 ILE 70 2HD1 ILE 70 -1.170 -9.660 -1.810 582 H THR 71 H THR 71 -4.961 -10.969 -1.254 583 HA THR 71 HA THR 71 -7.256 -9.169 -1.487 584 HB THR 71 HB THR 71 -6.009 -10.369 1.007 585 HG1 THR 71 HG1 THR 71 -8.262 -11.229 -0.527 586 HG21 THR 71 3HG2 THR 71 -7.351 -8.358 1.447 587 HG22 THR 71 1HG2 THR 71 -8.131 -9.805 2.087 588 HG23 THR 71 2HG2 THR 71 -8.715 -9.076 0.590 589 H VAL 72 H VAL 72 -7.282 -7.052 -0.815 590 HA VAL 72 HA VAL 72 -4.938 -5.990 0.606 591 HB VAL 72 HB VAL 72 -4.614 -5.356 -1.725 592 HG11 VAL 72 1HG1 VAL 72 -7.317 -4.007 -1.566 593 HG12 VAL 72 2HG1 VAL 72 -6.939 -5.464 -2.487 594 HG13 VAL 72 3HG1 VAL 72 -6.193 -3.926 -2.925 595 HG21 VAL 72 3HG2 VAL 72 -3.913 -3.778 0.009 596 HG22 VAL 72 1HG2 VAL 72 -5.497 -3.003 -0.044 597 HG23 VAL 72 2HG2 VAL 72 -4.430 -2.927 -1.447 598 H THR 73 H THR 73 -5.593 -5.152 2.482 599 HA THR 73 HA THR 73 -8.241 -3.819 2.624 600 HB THR 73 HB THR 73 -8.198 -4.278 5.068 601 HG1 THR 73 HG1 THR 73 -5.890 -4.483 5.261 602 HG21 THR 73 3HG2 THR 73 -8.641 -6.689 4.945 603 HG22 THR 73 1HG2 THR 73 -7.868 -6.756 3.361 604 HG23 THR 73 2HG2 THR 73 -9.360 -5.840 3.577 605 H TYR 74 H TYR 74 -8.172 -1.653 2.900 606 HA TYR 74 HA TYR 74 -5.747 -0.482 4.102 607 HB2 TYR 74 2HB TYR 74 -5.872 1.361 2.431 608 HB3 TYR 74 3HB TYR 74 -5.515 -0.205 1.720 609 HD1 TYR 74 HD2 TYR 74 -7.453 -1.480 0.608 610 HD2 TYR 74 HD1 TYR 74 -7.684 2.646 1.643 611 HE1 TYR 74 HE2 TYR 74 -9.317 -1.193 -0.967 612 HE2 TYR 74 HE1 TYR 74 -9.550 2.939 0.069 613 HH TYR 74 HH TYR 74 -10.383 1.753 -2.048 614 H THR 75 H THR 75 -5.999 1.181 5.482 615 HA THR 75 HA THR 75 -8.752 2.124 6.032 616 HB THR 75 HB THR 75 -6.417 1.972 7.971 617 HG1 THR 75 HG1 THR 75 -8.632 0.464 8.547 618 HG21 THR 75 3HG2 THR 75 -8.110 2.491 9.687 619 HG22 THR 75 1HG2 THR 75 -9.327 2.677 8.422 620 HG23 THR 75 2HG2 THR 75 -7.964 3.793 8.507 621 H ILE 76 H ILE 76 -9.019 4.137 5.222 622 HA ILE 76 HA ILE 76 -6.838 6.104 5.611 623 HB ILE 76 HB ILE 76 -8.820 6.058 3.320 624 HG12 ILE 76 2HG1 ILE 76 -5.855 5.405 3.371 625 HG13 ILE 76 3HG1 ILE 76 -7.163 4.255 3.119 626 HG21 ILE 76 1HG2 ILE 76 -8.156 8.326 3.958 627 HG22 ILE 76 2HG2 ILE 76 -7.472 7.888 2.393 628 HG23 ILE 76 3HG2 ILE 76 -6.455 7.872 3.834 629 HD11 ILE 76 3HD1 ILE 76 -6.431 6.530 1.288 630 HD12 ILE 76 1HD1 ILE 76 -7.744 5.378 1.030 631 HD13 ILE 76 2HD1 ILE 76 -6.069 4.822 1.034 632 H ARG 77 H ARG 77 -7.394 7.579 7.084 633 HA ARG 77 HA ARG 77 -10.215 8.454 7.273 634 HB2 ARG 77 2HB ARG 77 -8.128 8.261 9.463 635 HB3 ARG 77 3HB ARG 77 -9.729 8.964 9.670 636 HG2 ARG 77 2HG ARG 77 -10.786 6.852 9.262 637 HG3 ARG 77 3HG ARG 77 -9.251 6.116 8.804 638 HD2 ARG 77 2HD ARG 77 -9.898 5.456 11.056 639 HD3 ARG 77 3HD ARG 77 -8.423 6.418 11.085 640 HE ARG 77 HE ARG 77 -10.164 8.311 11.595 641 HH11 ARG 77 1HH1 ARG 77 -10.253 5.067 12.739 642 HH12 ARG 77 2HH1 ARG 77 -10.907 5.505 14.278 643 HH21 ARG 77 1HH2 ARG 77 -11.014 8.870 13.574 644 HH22 ARG 77 2HH2 ARG 77 -11.327 7.644 14.748 645 H LEU 78 H LEU 78 -10.552 10.496 6.670 646 HA LEU 78 HA LEU 78 -8.261 12.246 6.216 647 HB2 LEU 78 2HB LEU 78 -11.173 12.509 5.451 648 HB3 LEU 78 3HB LEU 78 -9.958 13.717 5.086 649 HG LEU 78 HG LEU 78 -10.321 12.423 3.111 650 HD11 LEU 78 1HD1 LEU 78 -8.098 11.513 2.670 651 HD12 LEU 78 2HD1 LEU 78 -7.731 11.555 4.394 652 HD13 LEU 78 3HD1 LEU 78 -8.011 13.059 3.514 653 HD21 LEU 78 3HD2 LEU 78 -11.319 10.441 4.136 654 HD22 LEU 78 1HD2 LEU 78 -9.738 9.949 4.744 655 HD23 LEU 78 2HD2 LEU 78 -10.038 10.005 3.005 656 H GLU 79 H GLU 79 -8.472 14.596 6.706 657 HA GLU 79 HA GLU 79 -9.021 14.955 9.503 658 HB2 GLU 79 2HB GLU 79 -7.210 16.060 7.870 659 HB3 GLU 79 3HB GLU 79 -8.452 17.293 7.716 660 HG2 GLU 79 2HG GLU 79 -7.260 16.374 10.334 661 HG3 GLU 79 3HG GLU 79 -6.728 17.788 9.431 662 H HIS 80 H HIS 80 -10.536 16.417 10.444 663 HA HIS 80 HA HIS 80 -12.847 17.079 8.732 664 HB2 HIS 80 2HB HIS 80 -14.261 16.381 10.801 665 HB3 HIS 80 3HB HIS 80 -13.625 15.133 9.738 666 HD1 HIS 80 HD1 HIS 80 -11.785 13.596 10.673 667 HD2 HIS 80 HD2 HIS 80 -13.167 16.412 13.396 668 HE1 HIS 80 HE1 HIS 80 -10.880 12.878 12.896 669 HE2 HIS 80 HE2 HIS 80 -11.938 14.450 14.549 670 H HIS 81 H HIS 81 -11.395 17.666 11.945 671 HA HIS 81 HA HIS 81 -11.405 19.469 13.338 672 HB2 HIS 81 2HB HIS 81 -9.971 20.186 11.418 673 HB3 HIS 81 3HB HIS 81 -11.363 21.010 10.731 674 HD1 HIS 81 HD1 HIS 81 -9.401 21.079 13.998 675 HD2 HIS 81 HD2 HIS 81 -11.471 23.622 11.449 676 HE1 HIS 81 HE1 HIS 81 -9.135 23.371 14.976 677 HE2 HIS 81 HE2 HIS 81 -10.518 24.865 13.505 678 H HIS 82 H HIS 82 -14.211 18.618 12.429 679 HA HIS 82 HA HIS 82 -15.816 20.857 12.062 680 HB2 HIS 82 2HB HIS 82 -17.687 19.514 13.076 681 HB3 HIS 82 3HB HIS 82 -16.833 18.734 11.757 682 HD1 HIS 82 HD1 HIS 82 -16.581 16.326 12.184 683 HD2 HIS 82 HD2 HIS 82 -16.437 18.498 15.722 684 HE1 HIS 82 HE1 HIS 82 -16.303 14.628 14.006 685 HE2 HIS 82 HE2 HIS 82 -16.474 15.946 16.131 686 H HIS 83 H HIS 83 -16.069 22.626 13.232 687 HA HIS 83 HA HIS 83 -15.030 22.802 15.897 688 HB2 HIS 83 2HB HIS 83 -14.949 24.641 14.178 689 HB3 HIS 83 3HB HIS 83 -16.675 24.877 14.433 690 HD1 HIS 83 HD1 HIS 83 -17.384 25.822 16.811 691 HD2 HIS 83 HD2 HIS 83 -13.294 25.781 16.078 692 HE1 HIS 83 HE1 HIS 83 -16.376 27.309 18.555 693 HE2 HIS 83 HE2 HIS 83 -13.926 27.392 17.999 694 H HIS 84 H HIS 84 -16.051 22.753 17.812 695 HA HIS 84 HA HIS 84 -18.980 22.331 17.816 696 HB2 HIS 84 2HB HIS 84 -18.649 21.129 19.945 697 HB3 HIS 84 3HB HIS 84 -17.685 20.418 18.655 698 HD1 HIS 84 HD1 HIS 84 -17.332 22.529 21.765 699 HD2 HIS 84 HD2 HIS 84 -14.957 20.395 19.106 700 HE1 HIS 84 HE1 HIS 84 -15.041 22.517 22.775 701 HE2 HIS 84 HE2 HIS 84 -13.589 21.388 21.060 702 H HIS 85 H HIS 85 -19.873 22.862 20.179 703 HA HIS 85 HA HIS 85 -19.455 25.674 20.658 704 HB2 HIS 85 2HB HIS 85 -21.083 23.650 22.220 705 HB3 HIS 85 3HB HIS 85 -21.122 25.393 22.462 706 HD1 HIS 85 HD1 HIS 85 -23.327 23.149 21.286 707 HD2 HIS 85 HD2 HIS 85 -21.554 26.401 19.398 708 HE1 HIS 85 HE1 HIS 85 -24.884 23.775 19.421 709 HE2 HIS 85 HE2 HIS 85 -23.863 25.820 18.380 Start of MODEL 4 1 H1 MET 1 1H MET 1 -2.180 14.529 4.200 2 H2 MET 1 2H MET 1 -3.316 14.761 2.972 3 H3 MET 1 3H MET 1 -1.947 13.811 2.683 4 HA MET 1 HA MET 1 -4.145 13.189 4.571 5 HB2 MET 1 2HB MET 1 -3.378 11.937 1.919 6 HB3 MET 1 3HB MET 1 -4.603 11.301 3.009 7 HG2 MET 1 2HG MET 1 -5.956 13.278 2.707 8 HG3 MET 1 3HG MET 1 -4.700 14.025 1.722 9 HE1 MET 1 3HE MET 1 -7.397 11.181 1.936 10 HE2 MET 1 1HE MET 1 -5.922 10.256 1.657 11 HE3 MET 1 2HE MET 1 -7.158 10.343 0.402 12 H GLU 2 H GLU 2 -3.987 11.151 5.621 13 HA GLU 2 HA GLU 2 -1.266 9.987 5.753 14 HB2 GLU 2 2HB GLU 2 -2.384 11.393 7.767 15 HB3 GLU 2 3HB GLU 2 -3.097 9.829 8.116 16 HG2 GLU 2 2HG GLU 2 -0.135 10.305 7.836 17 HG3 GLU 2 3HG GLU 2 -1.002 10.356 9.367 18 H MET 3 H MET 3 -1.242 7.807 5.193 19 HA MET 3 HA MET 3 -3.906 6.542 4.935 20 HB2 MET 3 2HB MET 3 -3.203 7.476 2.799 21 HB3 MET 3 3HB MET 3 -1.704 6.569 2.867 22 HG2 MET 3 2HG MET 3 -2.852 4.499 2.606 23 HG3 MET 3 3HG MET 3 -4.419 5.276 2.814 24 HE1 MET 3 3HE MET 3 -4.642 4.278 -0.939 25 HE2 MET 3 1HE MET 3 -5.440 4.249 0.634 26 HE3 MET 3 2HE MET 3 -3.953 3.335 0.382 27 H ASP 4 H ASP 4 -4.069 4.699 5.956 28 HA ASP 4 HA ASP 4 -1.800 2.930 6.434 29 HB2 ASP 4 2HB ASP 4 -3.202 3.016 8.306 30 HB3 ASP 4 3HB ASP 4 -4.666 3.071 7.339 31 H ILE 5 H ILE 5 -1.267 1.308 5.034 32 HA ILE 5 HA ILE 5 -3.390 0.170 3.316 33 HB ILE 5 HB ILE 5 -0.540 0.635 2.400 34 HG12 ILE 5 2HG1 ILE 5 -3.035 2.195 1.656 35 HG13 ILE 5 3HG1 ILE 5 -1.745 2.782 2.699 36 HG21 ILE 5 1HG2 ILE 5 -3.014 -0.261 0.907 37 HG22 ILE 5 2HG2 ILE 5 -1.615 -1.255 1.317 38 HG23 ILE 5 3HG2 ILE 5 -1.444 0.075 0.173 39 HD11 ILE 5 3HD1 ILE 5 -0.178 2.667 0.841 40 HD12 ILE 5 1HD1 ILE 5 -1.563 3.688 0.458 41 HD13 ILE 5 2HD1 ILE 5 -1.461 2.059 -0.208 42 H ARG 6 H ARG 6 -3.651 -1.871 4.054 43 HA ARG 6 HA ARG 6 -1.252 -3.412 4.807 44 HB2 ARG 6 2HB ARG 6 -4.097 -3.489 5.769 45 HB3 ARG 6 3HB ARG 6 -3.048 -4.887 5.981 46 HG2 ARG 6 2HG ARG 6 -1.585 -3.722 7.399 47 HG3 ARG 6 3HG ARG 6 -2.217 -2.151 6.910 48 HD2 ARG 6 2HD ARG 6 -3.926 -4.177 8.336 49 HD3 ARG 6 3HD ARG 6 -2.895 -3.044 9.213 50 HE ARG 6 HE ARG 6 -4.205 -1.324 7.747 51 HH11 ARG 6 1HH1 ARG 6 -5.495 -4.148 9.260 52 HH12 ARG 6 2HH1 ARG 6 -7.051 -3.431 9.498 53 HH21 ARG 6 1HH2 ARG 6 -6.171 -0.432 8.042 54 HH22 ARG 6 2HH2 ARG 6 -7.436 -1.341 8.803 55 H PHE 7 H PHE 7 -0.574 -4.588 3.154 56 HA PHE 7 HA PHE 7 -2.421 -5.981 1.368 57 HB2 PHE 7 2HB PHE 7 0.607 -5.855 1.448 58 HB3 PHE 7 3HB PHE 7 -0.307 -6.774 0.261 59 HD1 PHE 7 HD1 PHE 7 -1.743 -5.577 -1.378 60 HD2 PHE 7 HD2 PHE 7 0.948 -3.517 1.207 61 HE1 PHE 7 HE1 PHE 7 -1.832 -3.610 -2.853 62 HE2 PHE 7 HE2 PHE 7 0.857 -1.548 -0.265 63 HZ PHE 7 HZ PHE 7 -0.529 -1.597 -2.304 64 H ARG 8 H ARG 8 -2.387 -8.298 1.109 65 HA ARG 8 HA ARG 8 -0.753 -9.816 2.999 66 HB2 ARG 8 2HB ARG 8 -2.937 -9.609 4.097 67 HB3 ARG 8 3HB ARG 8 -3.724 -10.287 2.678 68 HG2 ARG 8 2HG ARG 8 -2.624 -12.405 3.004 69 HG3 ARG 8 3HG ARG 8 -1.661 -11.742 4.327 70 HD2 ARG 8 2HD ARG 8 -3.531 -13.101 5.139 71 HD3 ARG 8 3HD ARG 8 -3.661 -11.422 5.658 72 HE ARG 8 HE ARG 8 -5.167 -12.414 3.333 73 HH11 ARG 8 1HH1 ARG 8 -5.041 -10.863 6.407 74 HH12 ARG 8 2HH1 ARG 8 -6.736 -10.511 6.416 75 HH21 ARG 8 1HH2 ARG 8 -7.324 -11.938 3.337 76 HH22 ARG 8 2HH2 ARG 8 -8.013 -11.086 4.675 77 H GLY 9 H GLY 9 0.378 -11.249 1.929 78 HA2 GLY 9 2HA GLY 9 -0.799 -13.055 0.024 79 HA3 GLY 9 3HA GLY 9 0.252 -11.872 -0.741 80 H ASP 10 H ASP 10 0.302 -14.936 0.037 81 HA ASP 10 HA ASP 10 2.725 -15.101 1.591 82 HB2 ASP 10 2HB ASP 10 2.533 -17.539 1.213 83 HB3 ASP 10 3HB ASP 10 1.047 -16.836 1.842 84 H ASP 11 H ASP 11 2.124 -14.423 -1.617 85 HA ASP 11 HA ASP 11 4.386 -15.679 -2.829 86 HB2 ASP 11 2HB ASP 11 2.852 -13.219 -3.718 87 HB3 ASP 11 3HB ASP 11 3.934 -14.186 -4.718 88 H LEU 12 H LEU 12 6.348 -15.264 -1.925 89 HA LEU 12 HA LEU 12 7.028 -12.899 -0.569 90 HB2 LEU 12 2HB LEU 12 8.105 -15.121 -0.252 91 HB3 LEU 12 3HB LEU 12 8.922 -14.911 -1.788 92 HG LEU 12 HG LEU 12 10.139 -12.969 -0.899 93 HD11 LEU 12 1HD1 LEU 12 8.748 -13.579 1.714 94 HD12 LEU 12 2HD1 LEU 12 8.442 -12.178 0.688 95 HD13 LEU 12 3HD1 LEU 12 10.014 -12.376 1.460 96 HD21 LEU 12 3HD2 LEU 12 11.145 -15.177 -0.686 97 HD22 LEU 12 1HD2 LEU 12 10.326 -15.421 0.857 98 HD23 LEU 12 2HD2 LEU 12 11.562 -14.172 0.702 99 H GLU 13 H GLU 13 7.321 -13.724 -3.973 100 HA GLU 13 HA GLU 13 9.009 -11.506 -4.622 101 HB2 GLU 13 2HB GLU 13 8.710 -12.080 -6.888 102 HB3 GLU 13 3HB GLU 13 8.689 -13.604 -6.022 103 HG2 GLU 13 2HG GLU 13 6.966 -13.898 -7.511 104 HG3 GLU 13 3HG GLU 13 6.098 -13.310 -6.094 105 H ALA 14 H ALA 14 5.509 -12.011 -4.511 106 HA ALA 14 HA ALA 14 4.743 -9.473 -5.512 107 HB1 ALA 14 3HB ALA 14 3.262 -11.289 -3.609 108 HB2 ALA 14 1HB ALA 14 3.171 -11.337 -5.369 109 HB3 ALA 14 2HB ALA 14 2.564 -9.932 -4.494 110 H PHE 15 H PHE 15 5.624 -10.626 -2.303 111 HA PHE 15 HA PHE 15 5.084 -8.379 -0.749 112 HB2 PHE 15 2HB PHE 15 5.892 -10.372 0.313 113 HB3 PHE 15 3HB PHE 15 7.360 -10.374 -0.653 114 HD1 PHE 15 HD2 PHE 15 5.612 -8.711 2.144 115 HD2 PHE 15 HD1 PHE 15 9.280 -9.124 0.009 116 HE1 PHE 15 HE2 PHE 15 6.793 -7.503 3.931 117 HE2 PHE 15 HE1 PHE 15 10.460 -7.919 1.798 118 HZ PHE 15 HZ PHE 15 9.215 -7.106 3.764 119 H GLU 16 H GLU 16 7.988 -9.096 -2.681 120 HA GLU 16 HA GLU 16 9.351 -6.677 -2.275 121 HB2 GLU 16 2HB GLU 16 10.394 -8.686 -3.232 122 HB3 GLU 16 3HB GLU 16 9.399 -8.539 -4.669 123 HG2 GLU 16 2HG GLU 16 11.211 -6.284 -3.918 124 HG3 GLU 16 3HG GLU 16 11.899 -7.731 -4.645 125 H LYS 17 H LYS 17 7.152 -7.634 -4.918 126 HA LYS 17 HA LYS 17 7.218 -5.284 -6.412 127 HB2 LYS 17 2HB LYS 17 4.923 -7.220 -6.033 128 HB3 LYS 17 3HB LYS 17 5.005 -6.001 -7.298 129 HG2 LYS 17 2HG LYS 17 6.924 -8.301 -6.942 130 HG3 LYS 17 3HG LYS 17 5.618 -8.214 -8.127 131 HD2 LYS 17 2HD LYS 17 6.692 -6.235 -9.136 132 HD3 LYS 17 3HD LYS 17 8.008 -6.370 -7.967 133 HE2 LYS 17 2HE LYS 17 7.256 -8.390 -10.079 134 HE3 LYS 17 3HE LYS 17 8.682 -7.355 -10.071 135 HZ1 LYS 17 3HZ LYS 17 9.364 -8.484 -7.989 136 HZ2 LYS 17 1HZ LYS 17 9.305 -9.513 -9.333 137 HZ3 LYS 17 2HZ LYS 17 8.068 -9.560 -8.181 138 H ALA 18 H ALA 18 4.806 -6.170 -3.923 139 HA ALA 18 HA ALA 18 3.251 -3.868 -4.076 140 HB1 ALA 18 3HB ALA 18 2.390 -4.470 -1.875 141 HB2 ALA 18 1HB ALA 18 3.742 -5.578 -1.635 142 HB3 ALA 18 2HB ALA 18 2.554 -5.896 -2.899 143 H LEU 19 H LEU 19 5.883 -4.539 -1.740 144 HA LEU 19 HA LEU 19 5.872 -1.987 -0.538 145 HB2 LEU 19 2HB LEU 19 6.948 -3.993 0.436 146 HB3 LEU 19 3HB LEU 19 8.170 -3.937 -0.820 147 HG LEU 19 HG LEU 19 8.941 -1.745 0.052 148 HD11 LEU 19 1HD1 LEU 19 6.849 -0.975 1.042 149 HD12 LEU 19 2HD1 LEU 19 8.150 -0.965 2.231 150 HD13 LEU 19 3HD1 LEU 19 6.942 -2.250 2.258 151 HD21 LEU 19 3HD2 LEU 19 8.872 -3.952 2.117 152 HD22 LEU 19 1HD2 LEU 19 10.010 -2.604 2.079 153 HD23 LEU 19 2HD2 LEU 19 10.028 -3.810 0.792 154 H LYS 20 H LYS 20 7.533 -3.255 -3.368 155 HA LYS 20 HA LYS 20 9.382 -1.211 -3.859 156 HB2 LYS 20 2HB LYS 20 9.206 -3.466 -4.990 157 HB3 LYS 20 3HB LYS 20 7.898 -2.807 -5.957 158 HG2 LYS 20 2HG LYS 20 9.838 -2.706 -7.284 159 HG3 LYS 20 3HG LYS 20 9.522 -1.052 -6.756 160 HD2 LYS 20 2HD LYS 20 11.355 -1.005 -5.356 161 HD3 LYS 20 3HD LYS 20 11.341 -2.752 -5.104 162 HE2 LYS 20 2HE LYS 20 12.204 -1.322 -7.620 163 HE3 LYS 20 3HE LYS 20 13.269 -2.095 -6.443 164 HZ1 LYS 20 3HZ LYS 20 12.102 -4.213 -6.946 165 HZ2 LYS 20 1HZ LYS 20 12.949 -3.574 -8.266 166 HZ3 LYS 20 2HZ LYS 20 11.270 -3.426 -8.189 167 H GLU 21 H GLU 21 6.088 -1.613 -5.147 168 HA GLU 21 HA GLU 21 6.028 0.703 -6.736 169 HB2 GLU 21 2HB GLU 21 3.729 -0.764 -5.419 170 HB3 GLU 21 3HB GLU 21 3.573 0.400 -6.728 171 HG2 GLU 21 2HG GLU 21 5.094 -2.200 -6.916 172 HG3 GLU 21 3HG GLU 21 3.437 -1.960 -7.462 173 H MET 22 H MET 22 4.836 0.183 -3.414 174 HA MET 22 HA MET 22 3.777 2.761 -3.053 175 HB2 MET 22 2HB MET 22 4.917 1.017 -0.864 176 HB3 MET 22 3HB MET 22 3.698 2.276 -0.698 177 HG2 MET 22 2HG MET 22 3.434 -0.454 -1.901 178 HG3 MET 22 3HG MET 22 2.486 0.289 -0.615 179 HE1 MET 22 3HE MET 22 0.684 2.230 -1.050 180 HE2 MET 22 1HE MET 22 0.285 2.853 -2.651 181 HE3 MET 22 2HE MET 22 1.860 3.200 -1.939 182 H ILE 23 H ILE 23 7.027 1.492 -2.355 183 HA ILE 23 HA ILE 23 8.085 3.924 -1.325 184 HB ILE 23 HB ILE 23 9.499 1.590 -2.640 185 HG12 ILE 23 2HG1 ILE 23 9.113 2.341 0.276 186 HG13 ILE 23 3HG1 ILE 23 8.324 1.009 -0.560 187 HG21 ILE 23 1HG2 ILE 23 10.687 3.879 -1.060 188 HG22 ILE 23 2HG2 ILE 23 10.874 3.610 -2.793 189 HG23 ILE 23 3HG2 ILE 23 11.563 2.463 -1.645 190 HD11 ILE 23 3HD1 ILE 23 10.144 0.223 0.834 191 HD12 ILE 23 1HD1 ILE 23 11.278 1.257 -0.032 192 HD13 ILE 23 2HD1 ILE 23 10.489 -0.081 -0.868 193 H ARG 24 H ARG 24 7.876 2.570 -4.594 194 HA ARG 24 HA ARG 24 9.407 4.413 -6.007 195 HB2 ARG 24 2HB ARG 24 8.540 2.443 -7.094 196 HB3 ARG 24 3HB ARG 24 6.881 2.948 -6.810 197 HG2 ARG 24 2HG ARG 24 7.111 4.766 -8.384 198 HG3 ARG 24 3HG ARG 24 8.827 4.419 -8.590 199 HD2 ARG 24 2HD ARG 24 7.401 3.574 -10.452 200 HD3 ARG 24 3HD ARG 24 8.341 2.316 -9.652 201 HE ARG 24 HE ARG 24 6.390 1.317 -8.998 202 HH11 ARG 24 1HH1 ARG 24 5.646 4.515 -10.076 203 HH12 ARG 24 2HH1 ARG 24 3.939 4.257 -9.986 204 HH21 ARG 24 1HH2 ARG 24 4.200 1.011 -8.939 205 HH22 ARG 24 2HH2 ARG 24 3.136 2.310 -9.339 206 H GLN 25 H GLN 25 5.995 4.643 -5.031 207 HA GLN 25 HA GLN 25 5.608 7.270 -6.117 208 HB2 GLN 25 2HB GLN 25 4.030 5.751 -4.023 209 HB3 GLN 25 3HB GLN 25 3.511 7.250 -4.779 210 HG2 GLN 25 2HG GLN 25 3.968 4.619 -6.177 211 HG3 GLN 25 3HG GLN 25 2.407 5.336 -5.781 212 HE21 GLN 25 1HE2 GLN 25 5.178 5.496 -7.857 213 HE22 GLN 25 2HE2 GLN 25 4.494 6.575 -9.018 214 H ALA 26 H ALA 26 6.218 6.028 -2.837 215 HA ALA 26 HA ALA 26 5.907 8.363 -1.379 216 HB1 ALA 26 3HB ALA 26 7.235 7.303 0.347 217 HB2 ALA 26 1HB ALA 26 7.869 6.145 -0.823 218 HB3 ALA 26 2HB ALA 26 6.156 6.127 -0.404 219 H ARG 27 H ARG 27 8.914 7.137 -2.860 220 HA ARG 27 HA ARG 27 10.673 9.102 -1.954 221 HB2 ARG 27 2HB ARG 27 10.663 7.517 -4.530 222 HB3 ARG 27 3HB ARG 27 12.000 8.547 -4.039 223 HG2 ARG 27 2HG ARG 27 11.012 6.366 -2.231 224 HG3 ARG 27 3HG ARG 27 12.112 6.008 -3.562 225 HD2 ARG 27 2HD ARG 27 13.403 6.327 -1.559 226 HD3 ARG 27 3HD ARG 27 13.701 7.676 -2.649 227 HE ARG 27 HE ARG 27 11.703 8.052 -0.557 228 HH11 ARG 27 1HH1 ARG 27 14.899 8.658 -1.712 229 HH12 ARG 27 2HH1 ARG 27 15.179 9.940 -0.586 230 HH21 ARG 27 1HH2 ARG 27 12.093 9.692 0.900 231 HH22 ARG 27 2HH2 ARG 27 13.614 10.513 0.882 232 H LYS 28 H LYS 28 8.402 9.197 -4.640 233 HA LYS 28 HA LYS 28 9.391 11.619 -5.803 234 HB2 LYS 28 2HB LYS 28 6.685 10.281 -6.088 235 HB3 LYS 28 3HB LYS 28 7.299 11.574 -7.113 236 HG2 LYS 28 2HG LYS 28 9.058 10.147 -7.950 237 HG3 LYS 28 3HG LYS 28 8.597 8.862 -6.830 238 HD2 LYS 28 2HD LYS 28 7.747 8.364 -9.044 239 HD3 LYS 28 3HD LYS 28 6.402 8.702 -7.954 240 HE2 LYS 28 2HE LYS 28 6.055 9.764 -10.122 241 HE3 LYS 28 3HE LYS 28 6.245 10.977 -8.857 242 HZ1 LYS 28 3HZ LYS 28 7.478 11.489 -10.907 243 HZ2 LYS 28 1HZ LYS 28 8.420 10.106 -10.679 244 HZ3 LYS 28 2HZ LYS 28 8.485 11.370 -9.559 245 H PHE 29 H PHE 29 7.010 10.851 -3.337 246 HA PHE 29 HA PHE 29 6.138 13.649 -3.162 247 HB2 PHE 29 2HB PHE 29 5.145 11.265 -1.578 248 HB3 PHE 29 3HB PHE 29 4.384 12.851 -1.691 249 HD1 PHE 29 HD1 PHE 29 4.199 13.527 -4.406 250 HD2 PHE 29 HD2 PHE 29 3.924 9.646 -2.665 251 HE1 PHE 29 HE1 PHE 29 2.875 12.757 -6.330 252 HE2 PHE 29 HE2 PHE 29 2.603 8.874 -4.590 253 HZ PHE 29 HZ PHE 29 2.078 10.429 -6.425 254 H ALA 30 H ALA 30 8.555 11.776 -1.855 255 HA ALA 30 HA ALA 30 9.960 11.928 -0.073 256 HB1 ALA 30 3HB ALA 30 10.254 14.096 1.003 257 HB2 ALA 30 1HB ALA 30 8.740 14.668 0.300 258 HB3 ALA 30 2HB ALA 30 10.109 14.287 -0.744 259 H GLY 31 H GLY 31 7.249 10.837 0.261 260 HA2 GLY 31 2HA GLY 31 6.341 11.603 2.906 261 HA3 GLY 31 3HA GLY 31 5.651 10.354 1.881 262 H THR 32 H THR 32 6.130 10.161 4.691 263 HA THR 32 HA THR 32 8.424 8.385 5.019 264 HB THR 32 HB THR 32 6.283 9.168 7.021 265 HG1 THR 32 HG1 THR 32 7.577 10.797 7.585 266 HG21 THR 32 3HG2 THR 32 7.367 7.063 7.635 267 HG22 THR 32 1HG2 THR 32 7.879 8.357 8.718 268 HG23 THR 32 2HG2 THR 32 8.955 7.805 7.434 269 H VAL 33 H VAL 33 8.323 6.195 4.916 270 HA VAL 33 HA VAL 33 5.655 4.915 4.972 271 HB VAL 33 HB VAL 33 8.004 4.104 3.238 272 HG11 VAL 33 1HG1 VAL 33 6.445 2.477 2.251 273 HG12 VAL 33 2HG1 VAL 33 5.221 2.938 3.435 274 HG13 VAL 33 3HG1 VAL 33 6.716 2.167 3.965 275 HG21 VAL 33 3HG2 VAL 33 5.349 5.341 2.487 276 HG22 VAL 33 1HG2 VAL 33 6.577 4.770 1.355 277 HG23 VAL 33 2HG2 VAL 33 6.925 6.133 2.419 278 H THR 34 H THR 34 5.488 3.744 6.773 279 HA THR 34 HA THR 34 7.795 2.126 7.662 280 HB THR 34 HB THR 34 6.864 3.553 9.430 281 HG1 THR 34 HG1 THR 34 7.304 1.951 10.731 282 HG21 THR 34 3HG2 THR 34 4.606 3.146 10.309 283 HG22 THR 34 1HG2 THR 34 4.297 2.011 8.996 284 HG23 THR 34 2HG2 THR 34 4.552 3.721 8.644 285 H TYR 35 H TYR 35 7.409 -0.118 8.251 286 HA TYR 35 HA TYR 35 4.966 -1.324 7.217 287 HB2 TYR 35 2HB TYR 35 6.207 -2.942 5.806 288 HB3 TYR 35 3HB TYR 35 6.355 -1.284 5.243 289 HD1 TYR 35 HD2 TYR 35 8.491 -0.044 5.591 290 HD2 TYR 35 HD1 TYR 35 8.142 -4.194 6.490 291 HE1 TYR 35 HE2 TYR 35 10.937 -0.246 5.596 292 HE2 TYR 35 HE1 TYR 35 10.593 -4.403 6.500 293 HH TYR 35 HH TYR 35 12.655 -1.723 6.589 294 H THR 36 H THR 36 4.355 -3.157 8.234 295 HA THR 36 HA THR 36 6.292 -4.514 10.001 296 HB THR 36 HB THR 36 4.627 -4.772 11.761 297 HG1 THR 36 HG1 THR 36 2.828 -2.937 10.691 298 HG21 THR 36 3HG2 THR 36 6.036 -2.765 11.854 299 HG22 THR 36 1HG2 THR 36 4.439 -2.456 12.535 300 HG23 THR 36 2HG2 THR 36 4.836 -1.874 10.917 301 H LEU 37 H LEU 37 6.246 -6.701 9.895 302 HA LEU 37 HA LEU 37 4.206 -7.971 8.206 303 HB2 LEU 37 2HB LEU 37 6.946 -8.800 9.131 304 HB3 LEU 37 3HB LEU 37 5.823 -9.991 8.509 305 HG LEU 37 HG LEU 37 7.375 -9.299 6.776 306 HD11 LEU 37 1HD1 LEU 37 4.600 -8.227 6.259 307 HD12 LEU 37 2HD1 LEU 37 5.100 -9.913 6.122 308 HD13 LEU 37 3HD1 LEU 37 5.781 -8.702 5.036 309 HD21 LEU 37 3HD2 LEU 37 6.301 -6.509 7.212 310 HD22 LEU 37 1HD2 LEU 37 7.361 -7.000 5.892 311 HD23 LEU 37 2HD2 LEU 37 7.937 -7.069 7.557 312 H ASP 38 H ASP 38 2.423 -8.389 9.441 313 HA ASP 38 HA ASP 38 2.775 -9.667 12.065 314 HB2 ASP 38 2HB ASP 38 1.247 -7.717 11.900 315 HB3 ASP 38 3HB ASP 38 0.247 -8.616 10.760 316 H GLY 39 H GLY 39 3.228 -11.801 11.674 317 HA2 GLY 39 2HA GLY 39 2.785 -14.017 11.228 318 HA3 GLY 39 3HA GLY 39 1.108 -13.559 10.985 319 H ASN 40 H ASN 40 0.513 -12.713 8.855 320 HA ASN 40 HA ASN 40 2.386 -13.260 6.670 321 HB2 ASN 40 2HB ASN 40 0.648 -14.540 5.419 322 HB3 ASN 40 3HB ASN 40 1.200 -15.358 6.877 323 HD21 ASN 40 1HD2 ASN 40 -1.456 -13.902 5.268 324 HD22 ASN 40 2HD2 ASN 40 -2.656 -14.287 6.451 325 H ASP 41 H ASP 41 0.777 -10.981 8.033 326 HA ASP 41 HA ASP 41 -0.410 -9.807 5.603 327 HB2 ASP 41 2HB ASP 41 -0.709 -9.000 8.513 328 HB3 ASP 41 3HB ASP 41 -1.489 -8.198 7.152 329 H LEU 42 H LEU 42 0.624 -8.180 4.591 330 HA LEU 42 HA LEU 42 2.978 -6.957 5.833 331 HB2 LEU 42 2HB LEU 42 3.356 -7.826 3.632 332 HB3 LEU 42 3HB LEU 42 1.952 -6.993 2.994 333 HG LEU 42 HG LEU 42 3.085 -4.826 3.317 334 HD11 LEU 42 1HD1 LEU 42 5.474 -4.759 3.876 335 HD12 LEU 42 2HD1 LEU 42 5.436 -6.487 4.227 336 HD13 LEU 42 3HD1 LEU 42 4.497 -5.366 5.213 337 HD21 LEU 42 3HD2 LEU 42 4.751 -5.076 1.543 338 HD22 LEU 42 1HD2 LEU 42 3.282 -5.978 1.171 339 HD23 LEU 42 2HD2 LEU 42 4.716 -6.827 1.747 340 H GLU 43 H GLU 43 2.372 -5.321 7.144 341 HA GLU 43 HA GLU 43 0.272 -3.451 6.377 342 HB2 GLU 43 2HB GLU 43 0.311 -4.257 8.665 343 HB3 GLU 43 3HB GLU 43 1.969 -3.707 8.867 344 HG2 GLU 43 2HG GLU 43 1.205 -1.379 8.589 345 HG3 GLU 43 3HG GLU 43 -0.456 -1.961 8.466 346 H ILE 44 H ILE 44 0.892 -1.923 4.934 347 HA ILE 44 HA ILE 44 3.438 -0.477 5.374 348 HB ILE 44 HB ILE 44 1.810 -0.716 2.825 349 HG12 ILE 44 2HG1 ILE 44 4.510 -1.911 3.528 350 HG13 ILE 44 3HG1 ILE 44 2.995 -2.804 3.433 351 HG21 ILE 44 1HG2 ILE 44 2.940 1.444 2.983 352 HG22 ILE 44 2HG2 ILE 44 3.679 0.441 1.737 353 HG23 ILE 44 3HG2 ILE 44 4.474 0.633 3.300 354 HD11 ILE 44 3HD1 ILE 44 2.837 -2.294 1.054 355 HD12 ILE 44 1HD1 ILE 44 4.343 -3.126 1.441 356 HD13 ILE 44 2HD1 ILE 44 4.347 -1.387 1.146 357 H ARG 45 H ARG 45 3.164 1.511 6.262 358 HA ARG 45 HA ARG 45 0.659 2.965 5.663 359 HB2 ARG 45 2HB ARG 45 2.304 2.966 8.197 360 HB3 ARG 45 3HB ARG 45 0.996 4.102 7.881 361 HG2 ARG 45 2HG ARG 45 -0.568 2.222 7.648 362 HG3 ARG 45 3HG ARG 45 0.744 1.099 8.011 363 HD2 ARG 45 2HD ARG 45 0.963 1.980 10.238 364 HD3 ARG 45 3HD ARG 45 -0.177 3.284 9.886 365 HE ARG 45 HE ARG 45 -1.775 1.297 9.460 366 HH11 ARG 45 1HH1 ARG 45 0.632 1.416 11.917 367 HH12 ARG 45 2HH1 ARG 45 -0.213 0.313 12.940 368 HH21 ARG 45 1HH2 ARG 45 -2.853 -0.068 10.768 369 HH22 ARG 45 2HH2 ARG 45 -2.188 -0.516 12.301 370 H ILE 46 H ILE 46 0.829 4.807 4.599 371 HA ILE 46 HA ILE 46 3.499 6.042 4.322 372 HB ILE 46 HB ILE 46 1.169 6.202 2.393 373 HG12 ILE 46 2HG1 ILE 46 3.726 4.571 2.225 374 HG13 ILE 46 3HG1 ILE 46 2.114 3.920 2.504 375 HG21 ILE 46 1HG2 ILE 46 4.039 7.121 2.130 376 HG22 ILE 46 2HG2 ILE 46 2.619 8.158 2.289 377 HG23 ILE 46 3HG2 ILE 46 2.829 7.166 0.847 378 HD11 ILE 46 3HD1 ILE 46 1.425 4.691 0.289 379 HD12 ILE 46 1HD1 ILE 46 2.806 3.597 0.205 380 HD13 ILE 46 2HD1 ILE 46 3.044 5.333 0.012 381 H THR 47 H THR 47 3.720 7.874 5.416 382 HA THR 47 HA THR 47 1.379 9.550 6.004 383 HB THR 47 HB THR 47 4.168 9.672 7.184 384 HG1 THR 47 HG1 THR 47 1.811 8.314 7.942 385 HG21 THR 47 3HG2 THR 47 3.026 11.831 7.278 386 HG22 THR 47 1HG2 THR 47 3.142 11.121 8.889 387 HG23 THR 47 2HG2 THR 47 1.614 11.069 8.009 388 H GLY 48 H GLY 48 1.065 11.421 4.942 389 HA2 GLY 48 2HA GLY 48 1.754 13.583 4.251 390 HA3 GLY 48 3HA GLY 48 3.387 12.980 4.042 391 H VAL 49 H VAL 49 0.174 12.139 2.719 392 HA VAL 49 HA VAL 49 1.329 12.377 0.010 393 HB VAL 49 HB VAL 49 -0.429 10.761 -0.743 394 HG11 VAL 49 1HG1 VAL 49 0.725 8.764 0.113 395 HG12 VAL 49 2HG1 VAL 49 1.509 9.753 1.346 396 HG13 VAL 49 3HG1 VAL 49 1.860 10.029 -0.360 397 HG21 VAL 49 3HG2 VAL 49 -1.503 9.329 0.966 398 HG22 VAL 49 1HG2 VAL 49 -2.031 11.008 1.071 399 HG23 VAL 49 2HG2 VAL 49 -0.859 10.379 2.228 400 HA PRO 50 HA PRO 50 -1.526 15.689 -0.679 401 HB2 PRO 50 2HB PRO 50 -1.356 15.071 -3.557 402 HB3 PRO 50 3HB PRO 50 -0.824 16.512 -2.687 403 HG2 PRO 50 2HG PRO 50 0.934 14.753 -3.702 404 HG3 PRO 50 3HG PRO 50 1.240 15.604 -2.175 405 HD2 PRO 50 2HD PRO 50 0.260 12.794 -2.612 406 HD3 PRO 50 3HD PRO 50 1.484 13.396 -1.470 407 H GLU 51 H GLU 51 -3.683 15.992 -0.894 408 HA GLU 51 HA GLU 51 -5.469 13.874 -0.879 409 HB2 GLU 51 2HB GLU 51 -7.241 15.590 -1.169 410 HB3 GLU 51 3HB GLU 51 -6.050 16.021 0.052 411 HG2 GLU 51 2HG GLU 51 -4.915 17.437 -1.662 412 HG3 GLU 51 3HG GLU 51 -6.261 17.105 -2.750 413 H GLN 52 H GLN 52 -4.539 15.898 -3.652 414 HA GLN 52 HA GLN 52 -6.442 14.853 -5.464 415 HB2 GLN 52 2HB GLN 52 -4.990 15.833 -7.232 416 HB3 GLN 52 3HB GLN 52 -5.387 16.957 -5.940 417 HG2 GLN 52 2HG GLN 52 -3.185 16.631 -4.950 418 HG3 GLN 52 3HG GLN 52 -2.783 15.458 -6.205 419 HE21 GLN 52 1HE2 GLN 52 -1.019 16.713 -6.869 420 HE22 GLN 52 2HE2 GLN 52 -1.223 18.174 -7.767 421 H VAL 53 H VAL 53 -3.430 13.559 -4.337 422 HA VAL 53 HA VAL 53 -3.081 11.791 -6.616 423 HB VAL 53 HB VAL 53 -1.551 11.824 -4.002 424 HG11 VAL 53 1HG1 VAL 53 -0.843 10.611 -6.681 425 HG12 VAL 53 2HG1 VAL 53 -1.320 9.717 -5.238 426 HG13 VAL 53 3HG1 VAL 53 0.188 10.630 -5.249 427 HG21 VAL 53 3HG2 VAL 53 0.145 13.116 -5.223 428 HG22 VAL 53 1HG2 VAL 53 -1.389 13.980 -5.131 429 HG23 VAL 53 2HG2 VAL 53 -0.917 13.178 -6.630 430 H ARG 54 H ARG 54 -4.899 11.723 -3.766 431 HA ARG 54 HA ARG 54 -4.996 9.170 -2.825 432 HB2 ARG 54 2HB ARG 54 -6.524 10.567 -1.797 433 HB3 ARG 54 3HB ARG 54 -7.091 11.245 -3.314 434 HG2 ARG 54 2HG ARG 54 -8.870 9.984 -2.338 435 HG3 ARG 54 3HG ARG 54 -8.299 9.118 -3.761 436 HD2 ARG 54 2HD ARG 54 -6.832 7.794 -2.081 437 HD3 ARG 54 3HD ARG 54 -7.931 8.439 -0.857 438 HE ARG 54 HE ARG 54 -8.737 6.721 -3.120 439 HH11 ARG 54 1HH1 ARG 54 -9.329 7.961 0.044 440 HH12 ARG 54 2HH1 ARG 54 -10.609 6.835 0.346 441 HH21 ARG 54 1HH2 ARG 54 -10.378 5.316 -2.716 442 HH22 ARG 54 2HH2 ARG 54 -11.195 5.365 -1.190 443 H LYS 55 H LYS 55 -6.463 10.283 -5.851 444 HA LYS 55 HA LYS 55 -7.884 7.914 -6.421 445 HB2 LYS 55 2HB LYS 55 -6.885 9.980 -8.393 446 HB3 LYS 55 3HB LYS 55 -8.212 8.849 -8.639 447 HG2 LYS 55 2HG LYS 55 -8.131 11.136 -6.667 448 HG3 LYS 55 3HG LYS 55 -9.096 11.039 -8.142 449 HD2 LYS 55 2HD LYS 55 -10.395 9.212 -7.226 450 HD3 LYS 55 3HD LYS 55 -9.363 9.147 -5.797 451 HE2 LYS 55 2HE LYS 55 -11.450 10.281 -5.284 452 HE3 LYS 55 3HE LYS 55 -10.101 11.409 -5.177 453 HZ1 LYS 55 3HZ LYS 55 -11.919 11.158 -7.507 454 HZ2 LYS 55 1HZ LYS 55 -10.680 12.295 -7.323 455 HZ3 LYS 55 2HZ LYS 55 -12.031 12.348 -6.312 456 H GLU 56 H GLU 56 -4.575 8.880 -7.135 457 HA GLU 56 HA GLU 56 -4.038 6.647 -8.869 458 HB2 GLU 56 2HB GLU 56 -2.198 8.579 -7.444 459 HB3 GLU 56 3HB GLU 56 -1.634 7.329 -8.542 460 HG2 GLU 56 2HG GLU 56 -3.555 9.515 -9.318 461 HG3 GLU 56 3HG GLU 56 -1.809 9.603 -9.540 462 H LEU 57 H LEU 57 -3.114 7.442 -5.523 463 HA LEU 57 HA LEU 57 -1.558 5.199 -4.988 464 HB2 LEU 57 2HB LEU 57 -3.252 6.780 -3.048 465 HB3 LEU 57 3HB LEU 57 -1.932 5.710 -2.607 466 HG LEU 57 HG LEU 57 -1.643 8.235 -4.251 467 HD11 LEU 57 1HD1 LEU 57 -2.242 8.739 -1.946 468 HD12 LEU 57 2HD1 LEU 57 -0.564 9.174 -2.268 469 HD13 LEU 57 3HD1 LEU 57 -0.936 7.706 -1.363 470 HD21 LEU 57 3HD2 LEU 57 0.436 6.351 -3.126 471 HD22 LEU 57 1HD2 LEU 57 0.774 7.901 -3.897 472 HD23 LEU 57 2HD2 LEU 57 0.049 6.594 -4.830 473 H ALA 58 H ALA 58 -5.015 5.653 -4.147 474 HA ALA 58 HA ALA 58 -5.333 3.076 -3.009 475 HB1 ALA 58 3HB ALA 58 -6.836 4.956 -2.529 476 HB2 ALA 58 1HB ALA 58 -7.723 3.532 -3.077 477 HB3 ALA 58 2HB ALA 58 -7.451 4.883 -4.179 478 H LYS 59 H LYS 59 -5.942 4.322 -6.270 479 HA LYS 59 HA LYS 59 -7.101 2.010 -7.386 480 HB2 LYS 59 2HB LYS 59 -7.261 4.151 -8.481 481 HB3 LYS 59 3HB LYS 59 -5.516 4.267 -8.625 482 HG2 LYS 59 2HG LYS 59 -5.468 2.517 -10.266 483 HG3 LYS 59 3HG LYS 59 -7.183 2.177 -10.022 484 HD2 LYS 59 2HD LYS 59 -6.758 3.511 -12.064 485 HD3 LYS 59 3HD LYS 59 -7.786 4.355 -10.907 486 HE2 LYS 59 2HE LYS 59 -6.187 5.921 -11.785 487 HE3 LYS 59 3HE LYS 59 -5.772 5.589 -10.105 488 HZ1 LYS 59 3HZ LYS 59 -3.786 5.571 -11.382 489 HZ2 LYS 59 1HZ LYS 59 -4.441 4.513 -12.527 490 HZ3 LYS 59 2HZ LYS 59 -4.113 3.966 -10.963 491 H GLU 60 H GLU 60 -3.710 3.028 -7.130 492 HA GLU 60 HA GLU 60 -2.683 0.790 -8.593 493 HB2 GLU 60 2HB GLU 60 -1.478 2.918 -8.474 494 HB3 GLU 60 3HB GLU 60 -1.285 2.730 -6.736 495 HG2 GLU 60 2HG GLU 60 0.272 1.011 -6.965 496 HG3 GLU 60 3HG GLU 60 -0.209 0.665 -8.625 497 H ALA 61 H ALA 61 -3.185 1.497 -5.164 498 HA ALA 61 HA ALA 61 -1.956 -0.764 -4.049 499 HB1 ALA 61 3HB ALA 61 -2.787 1.128 -2.712 500 HB2 ALA 61 1HB ALA 61 -3.409 -0.413 -2.119 501 HB3 ALA 61 2HB ALA 61 -4.446 0.649 -3.074 502 H GLU 62 H GLU 62 -5.337 -0.325 -5.146 503 HA GLU 62 HA GLU 62 -6.097 -3.033 -4.749 504 HB2 GLU 62 2HB GLU 62 -7.269 -0.896 -6.540 505 HB3 GLU 62 3HB GLU 62 -8.002 -2.478 -6.300 506 HG2 GLU 62 2HG GLU 62 -8.111 -1.963 -3.849 507 HG3 GLU 62 3HG GLU 62 -7.579 -0.327 -4.233 508 H ARG 63 H ARG 63 -4.582 -1.350 -7.459 509 HA ARG 63 HA ARG 63 -4.793 -3.291 -9.449 510 HB2 ARG 63 2HB ARG 63 -3.707 -1.005 -9.681 511 HB3 ARG 63 3HB ARG 63 -2.281 -1.681 -8.903 512 HG2 ARG 63 2HG ARG 63 -2.489 -3.483 -10.823 513 HG3 ARG 63 3HG ARG 63 -3.387 -2.195 -11.627 514 HD2 ARG 63 2HD ARG 63 -1.226 -1.810 -12.367 515 HD3 ARG 63 3HD ARG 63 -1.330 -0.720 -10.984 516 HE ARG 63 HE ARG 63 -0.236 -3.389 -10.521 517 HH11 ARG 63 1HH1 ARG 63 0.387 -0.025 -10.959 518 HH12 ARG 63 2HH1 ARG 63 1.994 -0.138 -10.325 519 HH21 ARG 63 1HH2 ARG 63 1.824 -3.527 -9.767 520 HH22 ARG 63 2HH2 ARG 63 2.800 -2.090 -9.654 521 H LEU 64 H LEU 64 -2.211 -2.906 -7.024 522 HA LEU 64 HA LEU 64 -0.676 -5.129 -7.539 523 HB2 LEU 64 2HB LEU 64 -1.366 -3.772 -4.936 524 HB3 LEU 64 3HB LEU 64 -0.198 -5.080 -5.022 525 HG LEU 64 HG LEU 64 0.089 -2.572 -6.681 526 HD11 LEU 64 1HD1 LEU 64 1.260 -3.102 -3.949 527 HD12 LEU 64 2HD1 LEU 64 0.027 -1.900 -4.334 528 HD13 LEU 64 3HD1 LEU 64 1.652 -1.740 -5.000 529 HD21 LEU 64 3HD2 LEU 64 2.041 -4.700 -5.804 530 HD22 LEU 64 1HD2 LEU 64 2.440 -3.265 -6.743 531 HD23 LEU 64 2HD2 LEU 64 1.378 -4.490 -7.427 532 H ALA 65 H ALA 65 -3.618 -4.993 -5.547 533 HA ALA 65 HA ALA 65 -3.598 -7.647 -4.626 534 HB1 ALA 65 3HB ALA 65 -5.044 -5.901 -3.688 535 HB2 ALA 65 1HB ALA 65 -5.970 -7.328 -4.157 536 HB3 ALA 65 2HB ALA 65 -5.992 -5.888 -5.176 537 H LYS 66 H LYS 66 -5.443 -6.272 -7.369 538 HA LYS 66 HA LYS 66 -6.404 -8.803 -8.256 539 HB2 LYS 66 2HB LYS 66 -6.226 -6.227 -9.835 540 HB3 LYS 66 3HB LYS 66 -7.286 -7.593 -10.163 541 HG2 LYS 66 2HG LYS 66 -8.452 -7.188 -8.036 542 HG3 LYS 66 3HG LYS 66 -7.403 -5.801 -7.738 543 HD2 LYS 66 2HD LYS 66 -9.492 -5.002 -8.614 544 HD3 LYS 66 3HD LYS 66 -8.253 -4.779 -9.848 545 HE2 LYS 66 2HE LYS 66 -10.313 -5.629 -10.835 546 HE3 LYS 66 3HE LYS 66 -9.018 -6.817 -10.979 547 HZ1 LYS 66 3HZ LYS 66 -9.941 -8.061 -9.181 548 HZ2 LYS 66 1HZ LYS 66 -11.183 -7.756 -10.286 549 HZ3 LYS 66 2HZ LYS 66 -11.089 -6.867 -8.853 550 H GLU 67 H GLU 67 -3.534 -6.983 -8.926 551 HA GLU 67 HA GLU 67 -2.857 -8.233 -11.417 552 HB2 GLU 67 2HB GLU 67 -2.143 -5.960 -10.881 553 HB3 GLU 67 3HB GLU 67 -1.228 -6.544 -9.502 554 HG2 GLU 67 2HG GLU 67 0.343 -7.654 -10.941 555 HG3 GLU 67 3HG GLU 67 -0.635 -7.283 -12.362 556 H PHE 68 H PHE 68 -1.925 -8.730 -8.032 557 HA PHE 68 HA PHE 68 -0.370 -11.108 -8.854 558 HB2 PHE 68 2HB PHE 68 -0.177 -9.476 -6.308 559 HB3 PHE 68 3HB PHE 68 0.778 -10.913 -6.667 560 HD1 PHE 68 HD1 PHE 68 2.358 -10.873 -8.619 561 HD2 PHE 68 HD2 PHE 68 0.473 -7.352 -7.137 562 HE1 PHE 68 HE1 PHE 68 4.026 -9.494 -9.784 563 HE2 PHE 68 HE2 PHE 68 2.140 -5.968 -8.300 564 HZ PHE 68 HZ PHE 68 3.917 -7.039 -9.631 565 H ASN 69 H ASN 69 -3.361 -10.458 -7.928 566 HA ASN 69 HA ASN 69 -5.092 -11.709 -7.187 567 HB2 ASN 69 2HB ASN 69 -3.792 -13.506 -8.460 568 HB3 ASN 69 3HB ASN 69 -3.202 -14.047 -6.893 569 HD21 ASN 69 1HD2 ASN 69 -6.000 -13.691 -8.929 570 HD22 ASN 69 2HD2 ASN 69 -7.012 -14.789 -8.060 571 H ILE 70 H ILE 70 -2.914 -10.520 -5.301 572 HA ILE 70 HA ILE 70 -3.429 -11.992 -2.832 573 HB ILE 70 HB ILE 70 -1.939 -10.320 -1.765 574 HG12 ILE 70 2HG1 ILE 70 -1.657 -9.203 -4.577 575 HG13 ILE 70 3HG1 ILE 70 -2.460 -8.398 -3.233 576 HG21 ILE 70 1HG2 ILE 70 0.137 -11.043 -2.867 577 HG22 ILE 70 2HG2 ILE 70 -0.800 -11.609 -4.250 578 HG23 ILE 70 3HG2 ILE 70 -1.001 -12.377 -2.674 579 HD11 ILE 70 3HD1 ILE 70 -0.330 -8.291 -2.032 580 HD12 ILE 70 1HD1 ILE 70 -0.248 -7.488 -3.600 581 HD13 ILE 70 2HD1 ILE 70 0.467 -9.085 -3.392 582 H THR 71 H THR 71 -3.825 -10.348 -0.843 583 HA THR 71 HA THR 71 -6.277 -8.861 -1.565 584 HB THR 71 HB THR 71 -6.919 -9.096 0.834 585 HG1 THR 71 HG1 THR 71 -5.464 -9.772 2.185 586 HG21 THR 71 3HG2 THR 71 -7.486 -11.481 0.733 587 HG22 THR 71 1HG2 THR 71 -6.336 -11.699 -0.587 588 HG23 THR 71 2HG2 THR 71 -7.765 -10.690 -0.820 589 H VAL 72 H VAL 72 -6.773 -6.881 -0.453 590 HA VAL 72 HA VAL 72 -4.611 -5.532 0.969 591 HB VAL 72 HB VAL 72 -4.163 -4.971 -1.386 592 HG11 VAL 72 1HG1 VAL 72 -6.926 -3.741 -1.401 593 HG12 VAL 72 2HG1 VAL 72 -6.433 -5.190 -2.277 594 HG13 VAL 72 3HG1 VAL 72 -5.730 -3.629 -2.695 595 HG21 VAL 72 3HG2 VAL 72 -3.611 -3.329 0.328 596 HG22 VAL 72 1HG2 VAL 72 -5.232 -2.640 0.221 597 HG23 VAL 72 2HG2 VAL 72 -4.129 -2.520 -1.151 598 H THR 73 H THR 73 -5.373 -4.334 2.586 599 HA THR 73 HA THR 73 -8.072 -3.139 2.397 600 HB THR 73 HB THR 73 -8.387 -3.512 4.835 601 HG1 THR 73 HG1 THR 73 -5.898 -3.969 4.980 602 HG21 THR 73 3HG2 THR 73 -8.898 -5.910 4.732 603 HG22 THR 73 1HG2 THR 73 -7.912 -6.061 3.276 604 HG23 THR 73 2HG2 THR 73 -9.386 -5.092 3.248 605 H TYR 74 H TYR 74 -7.973 -0.955 2.640 606 HA TYR 74 HA TYR 74 -5.733 0.142 4.200 607 HB2 TYR 74 2HB TYR 74 -5.506 1.973 2.512 608 HB3 TYR 74 3HB TYR 74 -5.034 0.384 1.935 609 HD1 TYR 74 HD1 TYR 74 -7.628 3.015 1.704 610 HD2 TYR 74 HD2 TYR 74 -6.156 -0.641 0.085 611 HE1 TYR 74 HE1 TYR 74 -9.061 3.315 -0.269 612 HE2 TYR 74 HE2 TYR 74 -7.591 -0.350 -1.890 613 HH TYR 74 HH TYR 74 -9.457 0.814 -2.670 614 H THR 75 H THR 75 -6.212 1.610 5.655 615 HA THR 75 HA THR 75 -8.829 3.003 5.518 616 HB THR 75 HB THR 75 -7.173 2.291 7.960 617 HG1 THR 75 HG1 THR 75 -8.705 0.728 6.788 618 HG21 THR 75 3HG2 THR 75 -9.013 3.276 9.280 619 HG22 THR 75 1HG2 THR 75 -9.775 3.836 7.790 620 HG23 THR 75 2HG2 THR 75 -8.208 4.485 8.278 621 H ILE 76 H ILE 76 -8.735 5.152 5.155 622 HA ILE 76 HA ILE 76 -6.122 6.474 5.428 623 HB ILE 76 HB ILE 76 -8.550 7.392 3.874 624 HG12 ILE 76 2HG1 ILE 76 -5.988 6.030 3.005 625 HG13 ILE 76 3HG1 ILE 76 -7.622 5.403 2.851 626 HG21 ILE 76 1HG2 ILE 76 -5.731 8.484 3.956 627 HG22 ILE 76 2HG2 ILE 76 -7.171 9.263 4.615 628 HG23 ILE 76 3HG2 ILE 76 -7.012 9.033 2.875 629 HD11 ILE 76 3HD1 ILE 76 -6.830 6.144 0.715 630 HD12 ILE 76 1HD1 ILE 76 -6.436 7.735 1.365 631 HD13 ILE 76 2HD1 ILE 76 -8.119 7.220 1.251 632 H ARG 77 H ARG 77 -5.751 7.919 6.965 633 HA ARG 77 HA ARG 77 -7.810 8.834 8.746 634 HB2 ARG 77 2HB ARG 77 -4.896 9.606 8.480 635 HB3 ARG 77 3HB ARG 77 -5.953 10.166 9.768 636 HG2 ARG 77 2HG ARG 77 -5.274 7.274 9.226 637 HG3 ARG 77 3HG ARG 77 -4.510 8.288 10.453 638 HD2 ARG 77 2HD ARG 77 -7.431 7.518 10.325 639 HD3 ARG 77 3HD ARG 77 -6.232 6.899 11.462 640 HE ARG 77 HE ARG 77 -6.068 9.434 12.057 641 HH11 ARG 77 1HH1 ARG 77 -8.926 7.623 11.391 642 HH12 ARG 77 2HH1 ARG 77 -9.930 8.669 12.331 643 HH21 ARG 77 1HH2 ARG 77 -7.366 10.764 13.246 644 HH22 ARG 77 2HH2 ARG 77 -9.060 10.431 13.366 645 H LEU 78 H LEU 78 -9.289 10.172 7.827 646 HA LEU 78 HA LEU 78 -8.295 12.659 6.570 647 HB2 LEU 78 2HB LEU 78 -9.456 10.913 5.064 648 HB3 LEU 78 3HB LEU 78 -10.933 11.355 5.894 649 HG LEU 78 HG LEU 78 -9.230 13.360 4.396 650 HD11 LEU 78 1HD1 LEU 78 -10.786 13.134 2.536 651 HD12 LEU 78 2HD1 LEU 78 -11.640 11.846 3.384 652 HD13 LEU 78 3HD1 LEU 78 -9.974 11.603 2.858 653 HD21 LEU 78 3HD2 LEU 78 -12.109 13.446 5.320 654 HD22 LEU 78 1HD2 LEU 78 -11.289 14.699 4.388 655 HD23 LEU 78 2HD2 LEU 78 -10.764 14.337 6.031 656 H GLU 79 H GLU 79 -8.676 14.323 7.871 657 HA GLU 79 HA GLU 79 -10.429 14.173 10.114 658 HB2 GLU 79 2HB GLU 79 -8.388 15.458 10.259 659 HB3 GLU 79 3HB GLU 79 -8.886 16.483 8.919 660 HG2 GLU 79 2HG GLU 79 -10.766 17.316 10.304 661 HG3 GLU 79 3HG GLU 79 -10.160 16.354 11.652 662 H HIS 80 H HIS 80 -12.484 14.833 10.369 663 HA HIS 80 HA HIS 80 -14.038 15.900 8.212 664 HB2 HIS 80 2HB HIS 80 -14.980 14.459 10.008 665 HB3 HIS 80 3HB HIS 80 -14.681 15.741 11.175 666 HD1 HIS 80 HD1 HIS 80 -16.747 15.125 8.046 667 HD2 HIS 80 HD2 HIS 80 -16.751 17.477 11.468 668 HE1 HIS 80 HE1 HIS 80 -18.942 16.330 8.027 669 HE2 HIS 80 HE2 HIS 80 -18.837 17.887 9.996 670 H HIS 81 H HIS 81 -13.180 17.853 7.523 671 HA HIS 81 HA HIS 81 -11.986 19.677 9.383 672 HB2 HIS 81 2HB HIS 81 -11.326 19.072 6.918 673 HB3 HIS 81 3HB HIS 81 -12.438 20.371 6.502 674 HD1 HIS 81 HD1 HIS 81 -9.367 19.833 8.687 675 HD2 HIS 81 HD2 HIS 81 -11.258 22.831 6.519 676 HE1 HIS 81 HE1 HIS 81 -7.840 21.817 8.807 677 HE2 HIS 81 HE2 HIS 81 -8.914 23.544 7.337 678 H HIS 82 H HIS 82 -15.188 19.339 8.580 679 HA HIS 82 HA HIS 82 -15.698 22.130 9.429 680 HB2 HIS 82 2HB HIS 82 -17.478 20.386 7.701 681 HB3 HIS 82 3HB HIS 82 -17.896 21.991 8.295 682 HD1 HIS 82 HD1 HIS 82 -15.890 20.237 5.699 683 HD2 HIS 82 HD2 HIS 82 -16.548 24.122 7.020 684 HE1 HIS 82 HE1 HIS 82 -14.913 21.723 3.930 685 HE2 HIS 82 HE2 HIS 82 -15.144 24.049 4.853 686 H HIS 83 H HIS 83 -15.763 21.739 11.617 687 HA HIS 83 HA HIS 83 -16.721 19.391 12.812 688 HB2 HIS 83 2HB HIS 83 -15.168 21.102 13.833 689 HB3 HIS 83 3HB HIS 83 -16.584 22.099 14.149 690 HD1 HIS 83 HD1 HIS 83 -15.040 18.803 15.122 691 HD2 HIS 83 HD2 HIS 83 -18.010 21.404 16.419 692 HE1 HIS 83 HE1 HIS 83 -15.760 17.937 17.362 693 HE2 HIS 83 HE2 HIS 83 -17.402 19.633 18.208 694 H HIS 84 H HIS 84 -18.347 22.584 12.581 695 HA HIS 84 HA HIS 84 -20.803 21.584 13.650 696 HB2 HIS 84 2HB HIS 84 -21.766 23.760 12.683 697 HB3 HIS 84 3HB HIS 84 -20.539 23.890 13.932 698 HD1 HIS 84 HD1 HIS 84 -19.310 25.963 13.404 699 HD2 HIS 84 HD2 HIS 84 -19.962 23.682 9.995 700 HE1 HIS 84 HE1 HIS 84 -18.127 27.169 11.549 701 HE2 HIS 84 HE2 HIS 84 -18.387 25.677 9.545 702 H HIS 85 H HIS 85 -21.667 19.887 12.609 703 HA HIS 85 HA HIS 85 -22.837 18.680 11.092 704 HB2 HIS 85 2HB HIS 85 -23.058 21.281 9.559 705 HB3 HIS 85 3HB HIS 85 -23.973 19.815 9.216 706 HD1 HIS 85 HD1 HIS 85 -25.594 19.013 11.238 707 HD2 HIS 85 HD2 HIS 85 -24.231 22.937 11.389 708 HE1 HIS 85 HE1 HIS 85 -27.112 20.194 12.847 709 HE2 HIS 85 HE2 HIS 85 -26.400 22.601 12.754 Start of MODEL 5 1 H1 MET 1 1H MET 1 -2.310 13.551 7.844 2 H2 MET 1 2H MET 1 -3.378 14.462 6.910 3 H3 MET 1 3H MET 1 -1.997 13.790 6.202 4 HA MET 1 HA MET 1 -4.326 12.317 7.299 5 HB2 MET 1 2HB MET 1 -3.290 12.597 4.465 6 HB3 MET 1 3HB MET 1 -4.620 11.559 4.954 7 HG2 MET 1 2HG MET 1 -5.868 13.561 5.682 8 HG3 MET 1 3HG MET 1 -4.548 14.567 5.088 9 HE1 MET 1 3HE MET 1 -4.629 13.804 1.236 10 HE2 MET 1 1HE MET 1 -3.682 12.951 2.453 11 HE3 MET 1 2HE MET 1 -3.833 14.706 2.527 12 H GLU 2 H GLU 2 -3.928 10.278 7.942 13 HA GLU 2 HA GLU 2 -1.452 8.923 7.126 14 HB2 GLU 2 2HB GLU 2 -3.629 8.110 9.073 15 HB3 GLU 2 3HB GLU 2 -2.193 7.158 8.730 16 HG2 GLU 2 2HG GLU 2 -0.777 8.868 9.665 17 HG3 GLU 2 3HG GLU 2 -2.162 9.937 9.896 18 H MET 3 H MET 3 -1.446 7.282 5.632 19 HA MET 3 HA MET 3 -4.071 6.470 4.533 20 HB2 MET 3 2HB MET 3 -2.554 7.839 3.055 21 HB3 MET 3 3HB MET 3 -1.411 6.504 3.092 22 HG2 MET 3 2HG MET 3 -2.981 5.060 1.990 23 HG3 MET 3 3HG MET 3 -4.239 6.292 2.087 24 HE1 MET 3 3HE MET 3 -3.693 4.943 -0.656 25 HE2 MET 3 1HE MET 3 -3.616 6.344 -1.721 26 HE3 MET 3 2HE MET 3 -4.810 6.288 -0.425 27 H ASP 4 H ASP 4 -4.566 4.496 5.268 28 HA ASP 4 HA ASP 4 -2.406 2.640 5.989 29 HB2 ASP 4 2HB ASP 4 -4.159 3.386 7.665 30 HB3 ASP 4 3HB ASP 4 -5.334 2.465 6.734 31 H ILE 5 H ILE 5 -1.899 1.301 4.349 32 HA ILE 5 HA ILE 5 -4.084 -0.181 3.015 33 HB ILE 5 HB ILE 5 -1.477 0.696 1.742 34 HG12 ILE 5 2HG1 ILE 5 -4.326 1.603 1.216 35 HG13 ILE 5 3HG1 ILE 5 -3.060 2.562 1.973 36 HG21 ILE 5 1HG2 ILE 5 -3.796 -0.855 0.578 37 HG22 ILE 5 2HG2 ILE 5 -2.186 -1.483 0.928 38 HG23 ILE 5 3HG2 ILE 5 -2.401 -0.263 -0.326 39 HD11 ILE 5 3HD1 ILE 5 -3.407 3.195 -0.348 40 HD12 ILE 5 1HD1 ILE 5 -3.039 1.550 -0.863 41 HD13 ILE 5 2HD1 ILE 5 -1.790 2.538 -0.104 42 H ARG 6 H ARG 6 -3.983 -2.261 3.717 43 HA ARG 6 HA ARG 6 -1.305 -3.401 4.228 44 HB2 ARG 6 2HB ARG 6 -2.355 -4.807 5.982 45 HB3 ARG 6 3HB ARG 6 -2.426 -3.086 6.326 46 HG2 ARG 6 2HG ARG 6 -4.792 -3.154 5.374 47 HG3 ARG 6 3HG ARG 6 -4.654 -4.910 5.475 48 HD2 ARG 6 2HD ARG 6 -5.752 -4.031 7.461 49 HD3 ARG 6 3HD ARG 6 -4.185 -4.725 7.884 50 HE ARG 6 HE ARG 6 -4.311 -1.845 7.402 51 HH11 ARG 6 1HH1 ARG 6 -4.105 -4.414 9.695 52 HH12 ARG 6 2HH1 ARG 6 -3.546 -3.373 10.955 53 HH21 ARG 6 1HH2 ARG 6 -3.588 -0.548 9.006 54 HH22 ARG 6 2HH2 ARG 6 -3.265 -1.208 10.577 55 H PHE 7 H PHE 7 -0.741 -4.962 2.924 56 HA PHE 7 HA PHE 7 -2.733 -6.472 1.388 57 HB2 PHE 7 2HB PHE 7 0.294 -6.380 1.206 58 HB3 PHE 7 3HB PHE 7 -0.739 -7.328 0.147 59 HD1 PHE 7 HD2 PHE 7 0.142 -3.867 1.144 60 HD2 PHE 7 HD1 PHE 7 -1.739 -6.361 -1.757 61 HE1 PHE 7 HE2 PHE 7 -0.003 -1.959 -0.407 62 HE2 PHE 7 HE1 PHE 7 -1.878 -4.461 -3.306 63 HZ PHE 7 HZ PHE 7 -1.009 -2.258 -2.636 64 H ARG 8 H ARG 8 -2.755 -8.793 1.351 65 HA ARG 8 HA ARG 8 -1.022 -10.129 3.340 66 HB2 ARG 8 2HB ARG 8 -3.258 -10.319 4.184 67 HB3 ARG 8 3HB ARG 8 -3.887 -10.780 2.605 68 HG2 ARG 8 2HG ARG 8 -2.836 -12.915 2.718 69 HG3 ARG 8 3HG ARG 8 -1.901 -12.450 4.141 70 HD2 ARG 8 2HD ARG 8 -4.917 -12.585 4.108 71 HD3 ARG 8 3HD ARG 8 -3.891 -13.944 4.567 72 HE ARG 8 HE ARG 8 -3.581 -11.398 5.985 73 HH11 ARG 8 1HH1 ARG 8 -4.565 -14.706 6.026 74 HH12 ARG 8 2HH1 ARG 8 -4.667 -14.755 7.750 75 HH21 ARG 8 1HH2 ARG 8 -3.706 -11.482 8.163 76 HH22 ARG 8 2HH2 ARG 8 -4.182 -12.948 8.952 77 H GLY 9 H GLY 9 0.422 -11.460 2.441 78 HA2 GLY 9 2HA GLY 9 -0.139 -12.483 -0.294 79 HA3 GLY 9 3HA GLY 9 1.438 -11.904 0.208 80 H ASP 10 H ASP 10 0.125 -14.605 -0.687 81 HA ASP 10 HA ASP 10 0.710 -16.420 1.443 82 HB2 ASP 10 2HB ASP 10 0.369 -16.883 -1.531 83 HB3 ASP 10 3HB ASP 10 0.470 -18.162 -0.323 84 H ASP 11 H ASP 11 2.480 -15.384 -1.453 85 HA ASP 11 HA ASP 11 4.755 -17.072 -0.790 86 HB2 ASP 11 2HB ASP 11 5.694 -16.213 -2.914 87 HB3 ASP 11 3HB ASP 11 4.096 -16.926 -3.115 88 H LEU 12 H LEU 12 6.920 -15.633 -1.583 89 HA LEU 12 HA LEU 12 7.205 -13.795 0.684 90 HB2 LEU 12 2HB LEU 12 8.777 -15.670 0.501 91 HB3 LEU 12 3HB LEU 12 9.299 -15.090 -1.071 92 HG LEU 12 HG LEU 12 10.193 -13.042 -0.022 93 HD11 LEU 12 1HD1 LEU 12 9.378 -14.347 2.578 94 HD12 LEU 12 2HD1 LEU 12 8.704 -12.868 1.888 95 HD13 LEU 12 3HD1 LEU 12 10.384 -12.905 2.423 96 HD21 LEU 12 3HD2 LEU 12 12.093 -14.085 1.121 97 HD22 LEU 12 1HD2 LEU 12 11.666 -14.948 -0.357 98 HD23 LEU 12 2HD2 LEU 12 11.202 -15.605 1.213 99 H GLU 13 H GLU 13 8.045 -13.857 -2.817 100 HA GLU 13 HA GLU 13 9.270 -11.324 -2.805 101 HB2 GLU 13 2HB GLU 13 9.236 -11.399 -5.209 102 HB3 GLU 13 3HB GLU 13 9.644 -12.984 -4.574 103 HG2 GLU 13 2HG GLU 13 7.491 -13.849 -5.101 104 HG3 GLU 13 3HG GLU 13 6.866 -12.239 -5.461 105 H ALA 14 H ALA 14 5.887 -12.169 -3.096 106 HA ALA 14 HA ALA 14 4.818 -9.876 -4.243 107 HB1 ALA 14 3HB ALA 14 3.657 -11.470 -1.952 108 HB2 ALA 14 1HB ALA 14 3.472 -11.839 -3.666 109 HB3 ALA 14 2HB ALA 14 2.764 -10.368 -2.999 110 H PHE 15 H PHE 15 6.071 -10.358 -1.004 111 HA PHE 15 HA PHE 15 5.258 -7.971 0.220 112 HB2 PHE 15 2HB PHE 15 6.204 -9.571 1.651 113 HB3 PHE 15 3HB PHE 15 7.592 -9.834 0.606 114 HD1 PHE 15 HD2 PHE 15 6.044 -7.173 2.735 115 HD2 PHE 15 HD1 PHE 15 9.620 -8.886 1.179 116 HE1 PHE 15 HE2 PHE 15 7.383 -5.633 4.110 117 HE2 PHE 15 HE1 PHE 15 10.960 -7.350 2.553 118 HZ PHE 15 HZ PHE 15 9.842 -5.718 4.019 119 H GLU 16 H GLU 16 8.366 -8.650 -1.416 120 HA GLU 16 HA GLU 16 9.329 -5.994 -1.226 121 HB2 GLU 16 2HB GLU 16 10.158 -8.226 -3.094 122 HB3 GLU 16 3HB GLU 16 11.051 -6.731 -2.857 123 HG2 GLU 16 2HG GLU 16 11.366 -7.318 -0.485 124 HG3 GLU 16 3HG GLU 16 10.519 -8.839 -0.768 125 H LYS 17 H LYS 17 7.931 -7.777 -3.984 126 HA LYS 17 HA LYS 17 8.260 -5.826 -5.943 127 HB2 LYS 17 2HB LYS 17 6.006 -7.838 -5.721 128 HB3 LYS 17 3HB LYS 17 6.474 -6.985 -7.184 129 HG2 LYS 17 2HG LYS 17 8.202 -8.950 -5.678 130 HG3 LYS 17 3HG LYS 17 7.283 -9.301 -7.143 131 HD2 LYS 17 2HD LYS 17 8.607 -7.576 -8.340 132 HD3 LYS 17 3HD LYS 17 9.562 -7.330 -6.874 133 HE2 LYS 17 2HE LYS 17 10.748 -8.803 -8.394 134 HE3 LYS 17 3HE LYS 17 10.259 -9.697 -6.958 135 HZ1 LYS 17 3HZ LYS 17 8.870 -9.746 -9.587 136 HZ2 LYS 17 1HZ LYS 17 8.390 -10.604 -8.209 137 HZ3 LYS 17 2HZ LYS 17 9.857 -10.971 -8.968 138 H ALA 18 H ALA 18 5.320 -6.422 -3.971 139 HA ALA 18 HA ALA 18 3.850 -4.246 -5.031 140 HB1 ALA 18 3HB ALA 18 2.297 -4.612 -3.191 141 HB2 ALA 18 1HB ALA 18 3.486 -5.618 -2.362 142 HB3 ALA 18 2HB ALA 18 2.796 -6.149 -3.896 143 H LEU 19 H LEU 19 5.608 -4.540 -1.934 144 HA LEU 19 HA LEU 19 5.084 -2.004 -0.913 145 HB2 LEU 19 2HB LEU 19 6.059 -3.799 0.409 146 HB3 LEU 19 3HB LEU 19 7.517 -3.764 -0.562 147 HG LEU 19 HG LEU 19 8.007 -1.485 0.293 148 HD11 LEU 19 1HD1 LEU 19 5.742 -0.751 0.796 149 HD12 LEU 19 2HD1 LEU 19 6.772 -0.623 2.221 150 HD13 LEU 19 3HD1 LEU 19 5.623 -1.954 2.082 151 HD21 LEU 19 3HD2 LEU 19 7.600 -3.557 2.451 152 HD22 LEU 19 1HD2 LEU 19 8.694 -2.175 2.525 153 HD23 LEU 19 2HD2 LEU 19 8.983 -3.466 1.359 154 H LYS 20 H LYS 20 7.829 -3.046 -2.944 155 HA LYS 20 HA LYS 20 9.238 -0.614 -2.847 156 HB2 LYS 20 2HB LYS 20 10.228 -2.770 -3.537 157 HB3 LYS 20 3HB LYS 20 9.297 -2.710 -5.027 158 HG2 LYS 20 2HG LYS 20 11.601 -2.020 -5.402 159 HG3 LYS 20 3HG LYS 20 10.488 -0.685 -5.706 160 HD2 LYS 20 2HD LYS 20 11.005 0.269 -3.518 161 HD3 LYS 20 3HD LYS 20 12.062 -1.097 -3.153 162 HE2 LYS 20 2HE LYS 20 12.468 0.896 -5.390 163 HE3 LYS 20 3HE LYS 20 13.330 0.885 -3.851 164 HZ1 LYS 20 3HZ LYS 20 14.206 -1.304 -4.414 165 HZ2 LYS 20 1HZ LYS 20 14.638 -0.154 -5.575 166 HZ3 LYS 20 2HZ LYS 20 13.406 -1.261 -5.904 167 H GLU 21 H GLU 21 6.814 -1.776 -5.186 168 HA GLU 21 HA GLU 21 7.033 0.328 -7.039 169 HB2 GLU 21 2HB GLU 21 4.608 -1.333 -6.305 170 HB3 GLU 21 3HB GLU 21 4.704 -0.276 -7.707 171 HG2 GLU 21 2HG GLU 21 6.439 -2.691 -7.196 172 HG3 GLU 21 3HG GLU 21 5.082 -2.606 -8.316 173 H MET 22 H MET 22 4.776 -0.006 -4.281 174 HA MET 22 HA MET 22 3.537 2.502 -4.536 175 HB2 MET 22 2HB MET 22 4.028 0.856 -2.040 176 HB3 MET 22 3HB MET 22 2.931 2.227 -2.134 177 HG2 MET 22 2HG MET 22 1.588 1.042 -3.795 178 HG3 MET 22 3HG MET 22 2.691 -0.329 -3.706 179 HE1 MET 22 3HE MET 22 0.004 1.808 -1.817 180 HE2 MET 22 1HE MET 22 1.404 1.963 -0.754 181 HE3 MET 22 2HE MET 22 -0.010 1.052 -0.224 182 H ILE 23 H ILE 23 6.395 1.553 -2.625 183 HA ILE 23 HA ILE 23 6.955 4.066 -1.495 184 HB ILE 23 HB ILE 23 8.833 1.812 -2.237 185 HG12 ILE 23 2HG1 ILE 23 7.574 2.638 0.396 186 HG13 ILE 23 3HG1 ILE 23 7.180 1.204 -0.547 187 HG21 ILE 23 1HG2 ILE 23 9.403 4.260 -0.559 188 HG22 ILE 23 2HG2 ILE 23 10.119 3.868 -2.123 189 HG23 ILE 23 3HG2 ILE 23 10.468 2.862 -0.718 190 HD11 ILE 23 3HD1 ILE 23 8.562 0.624 1.341 191 HD12 ILE 23 1HD1 ILE 23 9.800 1.770 0.827 192 HD13 ILE 23 2HD1 ILE 23 9.449 0.348 -0.157 193 H ARG 24 H ARG 24 7.794 2.709 -4.649 194 HA ARG 24 HA ARG 24 9.690 4.576 -5.501 195 HB2 ARG 24 2HB ARG 24 9.075 2.422 -6.648 196 HB3 ARG 24 3HB ARG 24 7.624 3.212 -7.248 197 HG2 ARG 24 2HG ARG 24 9.148 4.919 -8.330 198 HG3 ARG 24 3HG ARG 24 10.489 3.849 -7.917 199 HD2 ARG 24 2HD ARG 24 8.125 3.183 -9.675 200 HD3 ARG 24 3HD ARG 24 9.780 3.468 -10.206 201 HE ARG 24 HE ARG 24 9.232 1.235 -8.387 202 HH11 ARG 24 1HH1 ARG 24 10.158 2.362 -11.511 203 HH12 ARG 24 2HH1 ARG 24 10.703 0.805 -12.024 204 HH21 ARG 24 1HH2 ARG 24 9.909 -0.763 -9.082 205 HH22 ARG 24 2HH2 ARG 24 10.567 -0.934 -10.674 206 H GLN 25 H GLN 25 6.160 4.591 -6.134 207 HA GLN 25 HA GLN 25 6.152 7.164 -7.344 208 HB2 GLN 25 2HB GLN 25 3.972 5.416 -6.216 209 HB3 GLN 25 3HB GLN 25 3.622 7.027 -6.816 210 HG2 GLN 25 2HG GLN 25 3.133 5.382 -8.509 211 HG3 GLN 25 3HG GLN 25 4.487 6.388 -9.022 212 HE21 GLN 25 1HE2 GLN 25 3.501 3.215 -7.982 213 HE22 GLN 25 2HE2 GLN 25 4.964 2.410 -8.432 214 H ALA 26 H ALA 26 5.521 6.078 -4.023 215 HA ALA 26 HA ALA 26 4.484 8.507 -3.032 216 HB1 ALA 26 3HB ALA 26 4.870 7.576 -0.822 217 HB2 ALA 26 1HB ALA 26 5.926 6.340 -1.508 218 HB3 ALA 26 2HB ALA 26 4.207 6.351 -1.903 219 H ARG 27 H ARG 27 7.828 7.268 -3.045 220 HA ARG 27 HA ARG 27 8.973 9.280 -1.462 221 HB2 ARG 27 2HB ARG 27 10.168 7.497 -3.575 222 HB3 ARG 27 3HB ARG 27 11.135 8.646 -2.662 223 HG2 ARG 27 2HG ARG 27 10.328 7.530 -0.564 224 HG3 ARG 27 3HG ARG 27 9.591 6.295 -1.586 225 HD2 ARG 27 2HD ARG 27 11.796 5.606 -0.741 226 HD3 ARG 27 3HD ARG 27 11.768 5.715 -2.501 227 HE ARG 27 HE ARG 27 12.925 7.861 -2.269 228 HH11 ARG 27 1HH1 ARG 27 12.989 5.736 0.450 229 HH12 ARG 27 2HH1 ARG 27 14.447 6.426 1.077 230 HH21 ARG 27 1HH2 ARG 27 14.761 8.736 -1.443 231 HH22 ARG 27 2HH2 ARG 27 15.436 8.107 0.020 232 H LYS 28 H LYS 28 8.120 9.337 -4.863 233 HA LYS 28 HA LYS 28 9.581 11.579 -5.699 234 HB2 LYS 28 2HB LYS 28 8.272 10.161 -7.228 235 HB3 LYS 28 3HB LYS 28 6.780 10.750 -6.509 236 HG2 LYS 28 2HG LYS 28 7.340 13.031 -7.288 237 HG3 LYS 28 3HG LYS 28 8.781 12.382 -8.073 238 HD2 LYS 28 2HD LYS 28 5.935 11.558 -8.687 239 HD3 LYS 28 3HD LYS 28 6.896 12.682 -9.646 240 HE2 LYS 28 2HE LYS 28 8.498 10.930 -10.156 241 HE3 LYS 28 3HE LYS 28 7.634 9.800 -9.112 242 HZ1 LYS 28 3HZ LYS 28 5.755 9.879 -10.567 243 HZ2 LYS 28 1HZ LYS 28 7.126 9.513 -11.488 244 HZ3 LYS 28 2HZ LYS 28 6.467 11.072 -11.527 245 H PHE 29 H PHE 29 6.888 11.329 -3.557 246 HA PHE 29 HA PHE 29 6.639 14.274 -3.408 247 HB2 PHE 29 2HB PHE 29 4.621 12.186 -2.525 248 HB3 PHE 29 3HB PHE 29 4.384 13.931 -2.543 249 HD1 PHE 29 HD1 PHE 29 4.105 15.123 -4.686 250 HD2 PHE 29 HD2 PHE 29 4.416 10.876 -4.514 251 HE1 PHE 29 HE1 PHE 29 3.200 14.964 -6.967 252 HE2 PHE 29 HE2 PHE 29 3.509 10.713 -6.795 253 HZ PHE 29 HZ PHE 29 2.898 12.761 -8.024 254 H ALA 30 H ALA 30 5.371 14.462 -0.935 255 HA ALA 30 HA ALA 30 7.518 13.873 0.925 256 HB1 ALA 30 3HB ALA 30 6.208 15.172 2.529 257 HB2 ALA 30 1HB ALA 30 4.859 15.227 1.393 258 HB3 ALA 30 2HB ALA 30 6.375 16.039 1.002 259 H GLY 31 H GLY 31 5.413 11.851 -0.283 260 HA2 GLY 31 2HA GLY 31 3.886 10.842 1.882 261 HA3 GLY 31 3HA GLY 31 4.217 10.011 0.374 262 H THR 32 H THR 32 5.373 10.600 3.638 263 HA THR 32 HA THR 32 7.587 8.798 3.510 264 HB THR 32 HB THR 32 6.069 9.784 5.945 265 HG1 THR 32 HG1 THR 32 6.952 11.548 4.922 266 HG21 THR 32 3HG2 THR 32 7.423 7.812 6.466 267 HG22 THR 32 1HG2 THR 32 8.139 9.258 7.179 268 HG23 THR 32 2HG2 THR 32 8.831 8.563 5.712 269 H VAL 33 H VAL 33 7.482 6.648 3.380 270 HA VAL 33 HA VAL 33 4.960 5.300 4.037 271 HB VAL 33 HB VAL 33 7.313 4.267 2.432 272 HG11 VAL 33 1HG1 VAL 33 5.758 2.506 1.701 273 HG12 VAL 33 2HG1 VAL 33 4.537 3.135 2.809 274 HG13 VAL 33 3HG1 VAL 33 6.039 2.459 3.440 275 HG21 VAL 33 3HG2 VAL 33 6.229 6.154 1.325 276 HG22 VAL 33 1HG2 VAL 33 4.659 5.368 1.491 277 HG23 VAL 33 2HG2 VAL 33 5.901 4.651 0.463 278 H THR 34 H THR 34 4.775 4.110 5.825 279 HA THR 34 HA THR 34 7.184 2.766 6.899 280 HB THR 34 HB THR 34 6.461 4.447 8.500 281 HG1 THR 34 HG1 THR 34 5.932 2.930 10.276 282 HG21 THR 34 3HG2 THR 34 4.254 4.364 9.568 283 HG22 THR 34 1HG2 THR 34 3.776 3.051 8.491 284 HG23 THR 34 2HG2 THR 34 4.107 4.654 7.835 285 H TYR 35 H TYR 35 7.018 0.583 7.401 286 HA TYR 35 HA TYR 35 4.434 -0.717 6.854 287 HB2 TYR 35 2HB TYR 35 5.612 -2.451 5.502 288 HB3 TYR 35 3HB TYR 35 5.633 -0.851 4.771 289 HD1 TYR 35 HD2 TYR 35 7.737 0.486 4.770 290 HD2 TYR 35 HD1 TYR 35 7.665 -3.544 6.152 291 HE1 TYR 35 HE2 TYR 35 10.184 0.377 4.570 292 HE2 TYR 35 HE1 TYR 35 10.115 -3.658 5.955 293 HH TYR 35 HH TYR 35 12.055 -0.874 5.441 294 H THR 36 H THR 36 3.928 -2.424 8.111 295 HA THR 36 HA THR 36 6.040 -3.593 9.832 296 HB THR 36 HB THR 36 4.277 -3.995 11.568 297 HG1 THR 36 HG1 THR 36 2.317 -3.766 10.749 298 HG21 THR 36 3HG2 THR 36 5.802 -2.110 11.817 299 HG22 THR 36 1HG2 THR 36 4.194 -1.674 12.400 300 HG23 THR 36 2HG2 THR 36 4.748 -1.100 10.827 301 H LEU 37 H LEU 37 6.096 -5.801 10.023 302 HA LEU 37 HA LEU 37 4.217 -7.304 8.313 303 HB2 LEU 37 2HB LEU 37 7.083 -7.806 9.078 304 HB3 LEU 37 3HB LEU 37 6.074 -9.100 8.467 305 HG LEU 37 HG LEU 37 7.437 -8.206 6.679 306 HD11 LEU 37 1HD1 LEU 37 5.710 -7.684 5.049 307 HD12 LEU 37 2HD1 LEU 37 4.560 -7.362 6.348 308 HD13 LEU 37 3HD1 LEU 37 5.196 -8.991 6.116 309 HD21 LEU 37 3HD2 LEU 37 6.130 -5.537 7.211 310 HD22 LEU 37 1HD2 LEU 37 7.255 -5.906 5.904 311 HD23 LEU 37 2HD2 LEU 37 7.802 -5.955 7.579 312 H ASP 38 H ASP 38 2.900 -8.784 9.173 313 HA ASP 38 HA ASP 38 3.665 -10.173 11.630 314 HB2 ASP 38 2HB ASP 38 2.292 -8.295 12.415 315 HB3 ASP 38 3HB ASP 38 0.999 -8.763 11.315 316 H GLY 39 H GLY 39 3.471 -12.290 11.265 317 HA2 GLY 39 2HA GLY 39 2.717 -14.310 10.458 318 HA3 GLY 39 3HA GLY 39 1.159 -13.538 10.208 319 H ASN 40 H ASN 40 0.688 -12.592 8.191 320 HA ASN 40 HA ASN 40 2.666 -12.826 6.047 321 HB2 ASN 40 2HB ASN 40 1.011 -13.935 4.548 322 HB3 ASN 40 3HB ASN 40 1.510 -14.946 5.898 323 HD21 ASN 40 1HD2 ASN 40 -0.858 -15.199 4.314 324 HD22 ASN 40 2HD2 ASN 40 -2.203 -15.023 5.382 325 H ASP 41 H ASP 41 0.801 -10.841 7.643 326 HA ASP 41 HA ASP 41 -0.384 -9.396 5.391 327 HB2 ASP 41 2HB ASP 41 -0.452 -8.723 8.343 328 HB3 ASP 41 3HB ASP 41 -1.420 -7.976 7.078 329 H LEU 42 H LEU 42 0.740 -7.878 4.367 330 HA LEU 42 HA LEU 42 2.948 -6.477 5.687 331 HB2 LEU 42 2HB LEU 42 3.517 -7.296 3.524 332 HB3 LEU 42 3HB LEU 42 2.045 -6.658 2.811 333 HG LEU 42 HG LEU 42 2.894 -4.361 3.116 334 HD11 LEU 42 1HD1 LEU 42 5.231 -3.981 3.772 335 HD12 LEU 42 2HD1 LEU 42 5.392 -5.695 4.160 336 HD13 LEU 42 3HD1 LEU 42 4.280 -4.683 5.081 337 HD21 LEU 42 3HD2 LEU 42 4.666 -4.453 1.418 338 HD22 LEU 42 1HD2 LEU 42 3.311 -5.507 1.013 339 HD23 LEU 42 2HD2 LEU 42 4.800 -6.195 1.658 340 H GLU 43 H GLU 43 2.227 -4.838 6.926 341 HA GLU 43 HA GLU 43 -0.091 -3.255 6.118 342 HB2 GLU 43 2HB GLU 43 1.608 -3.070 8.622 343 HB3 GLU 43 3HB GLU 43 0.050 -2.295 8.362 344 HG2 GLU 43 2HG GLU 43 -1.058 -4.435 8.289 345 HG3 GLU 43 3HG GLU 43 0.485 -5.277 8.390 346 H ILE 44 H ILE 44 0.374 -1.730 4.614 347 HA ILE 44 HA ILE 44 2.816 -0.099 4.904 348 HB ILE 44 HB ILE 44 0.976 -0.338 2.508 349 HG12 ILE 44 2HG1 ILE 44 3.697 -1.602 2.959 350 HG13 ILE 44 3HG1 ILE 44 2.162 -2.464 3.027 351 HG21 ILE 44 1HG2 ILE 44 2.178 1.786 2.589 352 HG22 ILE 44 2HG2 ILE 44 2.783 0.772 1.279 353 HG23 ILE 44 3HG2 ILE 44 3.708 0.924 2.773 354 HD11 ILE 44 3HD1 ILE 44 1.776 -1.924 0.665 355 HD12 ILE 44 1HD1 ILE 44 3.264 -2.839 0.910 356 HD13 ILE 44 2HD1 ILE 44 3.336 -1.103 0.609 357 H ARG 45 H ARG 45 2.396 1.722 6.102 358 HA ARG 45 HA ARG 45 -0.043 3.234 5.421 359 HB2 ARG 45 2HB ARG 45 0.058 2.577 7.784 360 HB3 ARG 45 3HB ARG 45 1.602 3.406 7.952 361 HG2 ARG 45 2HG ARG 45 0.560 5.544 7.523 362 HG3 ARG 45 3HG ARG 45 -0.985 4.763 7.184 363 HD2 ARG 45 2HD ARG 45 0.459 4.721 9.840 364 HD3 ARG 45 3HD ARG 45 -0.909 5.757 9.437 365 HE ARG 45 HE ARG 45 -1.560 3.027 9.014 366 HH11 ARG 45 1HH1 ARG 45 -1.208 5.408 11.485 367 HH12 ARG 45 2HH1 ARG 45 -2.191 4.529 12.605 368 HH21 ARG 45 1HH2 ARG 45 -2.850 1.948 10.448 369 HH22 ARG 45 2HH2 ARG 45 -3.118 2.611 12.028 370 H ILE 46 H ILE 46 0.297 4.865 4.093 371 HA ILE 46 HA ILE 46 2.910 6.181 3.974 372 HB ILE 46 HB ILE 46 0.481 6.662 2.228 373 HG12 ILE 46 2HG1 ILE 46 2.875 4.862 1.720 374 HG13 ILE 46 3HG1 ILE 46 1.245 4.309 2.091 375 HG21 ILE 46 1HG2 ILE 46 2.101 7.642 0.667 376 HG22 ILE 46 2HG2 ILE 46 3.396 7.360 1.829 377 HG23 ILE 46 3HG2 ILE 46 2.098 8.493 2.211 378 HD11 ILE 46 3HD1 ILE 46 0.434 5.302 0.017 379 HD12 ILE 46 1HD1 ILE 46 1.722 4.134 -0.280 380 HD13 ILE 46 2HD1 ILE 46 2.066 5.862 -0.354 381 H THR 47 H THR 47 3.256 8.311 4.561 382 HA THR 47 HA THR 47 0.980 9.737 5.808 383 HB THR 47 HB THR 47 3.819 9.635 6.873 384 HG1 THR 47 HG1 THR 47 2.557 7.676 7.182 385 HG21 THR 47 3HG2 THR 47 2.717 11.764 7.376 386 HG22 THR 47 1HG2 THR 47 2.878 10.790 8.838 387 HG23 THR 47 2HG2 THR 47 1.318 10.902 8.021 388 H GLY 48 H GLY 48 0.648 11.720 5.005 389 HA2 GLY 48 2HA GLY 48 1.198 13.924 4.454 390 HA3 GLY 48 3HA GLY 48 2.892 13.472 4.407 391 H VAL 49 H VAL 49 -0.070 12.603 2.568 392 HA VAL 49 HA VAL 49 1.460 13.086 0.082 393 HB VAL 49 HB VAL 49 -0.130 11.510 -1.035 394 HG11 VAL 49 1HG1 VAL 49 1.479 10.348 1.239 395 HG12 VAL 49 2HG1 VAL 49 2.090 10.774 -0.360 396 HG13 VAL 49 3HG1 VAL 49 0.919 9.468 -0.184 397 HG21 VAL 49 3HG2 VAL 49 -1.461 9.974 0.338 398 HG22 VAL 49 1HG2 VAL 49 -1.980 11.645 0.566 399 HG23 VAL 49 2HG2 VAL 49 -0.988 10.854 1.792 400 HA PRO 50 HA PRO 50 -1.565 16.219 -1.060 401 HB2 PRO 50 2HB PRO 50 -1.375 15.912 -3.803 402 HB3 PRO 50 3HB PRO 50 -0.268 16.880 -2.826 403 HG2 PRO 50 2HG PRO 50 0.061 14.090 -3.858 404 HG3 PRO 50 3HG PRO 50 1.253 15.400 -3.773 405 HD2 PRO 50 2HD PRO 50 1.232 13.384 -1.995 406 HD3 PRO 50 3HD PRO 50 1.666 15.039 -1.517 407 H GLU 51 H GLU 51 -3.751 16.108 -1.254 408 HA GLU 51 HA GLU 51 -4.973 13.609 -1.056 409 HB2 GLU 51 2HB GLU 51 -7.125 14.835 -1.170 410 HB3 GLU 51 3HB GLU 51 -5.976 15.515 -0.028 411 HG2 GLU 51 2HG GLU 51 -5.408 17.270 -1.643 412 HG3 GLU 51 3HG GLU 51 -6.578 16.596 -2.779 413 H GLN 52 H GLN 52 -4.471 15.546 -3.961 414 HA GLN 52 HA GLN 52 -6.306 14.116 -5.602 415 HB2 GLN 52 2HB GLN 52 -5.163 15.088 -7.506 416 HB3 GLN 52 3HB GLN 52 -5.364 16.306 -6.254 417 HG2 GLN 52 2HG GLN 52 -3.030 16.024 -5.592 418 HG3 GLN 52 3HG GLN 52 -2.824 14.781 -6.825 419 HE21 GLN 52 1HE2 GLN 52 -1.232 15.931 -7.893 420 HE22 GLN 52 2HE2 GLN 52 -1.558 17.368 -8.791 421 H VAL 53 H VAL 53 -2.907 13.568 -4.776 422 HA VAL 53 HA VAL 53 -2.584 11.359 -6.611 423 HB VAL 53 HB VAL 53 -0.839 12.213 -4.281 424 HG11 VAL 53 1HG1 VAL 53 0.935 10.915 -5.367 425 HG12 VAL 53 2HG1 VAL 53 -0.207 10.369 -6.595 426 HG13 VAL 53 3HG1 VAL 53 -0.422 9.886 -4.913 427 HG21 VAL 53 3HG2 VAL 53 -0.572 12.826 -7.230 428 HG22 VAL 53 1HG2 VAL 53 0.553 13.313 -5.960 429 HG23 VAL 53 2HG2 VAL 53 -1.087 13.965 -5.985 430 H ARG 54 H ARG 54 -3.551 11.779 -3.297 431 HA ARG 54 HA ARG 54 -3.295 9.302 -2.144 432 HB2 ARG 54 2HB ARG 54 -4.214 11.282 -1.013 433 HB3 ARG 54 3HB ARG 54 -5.671 11.174 -1.990 434 HG2 ARG 54 2HG ARG 54 -6.157 8.977 -0.941 435 HG3 ARG 54 3HG ARG 54 -4.746 9.205 0.099 436 HD2 ARG 54 2HD ARG 54 -6.781 9.867 1.266 437 HD3 ARG 54 3HD ARG 54 -5.744 11.268 0.991 438 HE ARG 54 HE ARG 54 -7.922 10.723 -0.893 439 HH11 ARG 54 1HH1 ARG 54 -6.663 12.692 1.651 440 HH12 ARG 54 2HH1 ARG 54 -7.738 13.997 1.303 441 HH21 ARG 54 1HH2 ARG 54 -9.300 12.390 -1.295 442 HH22 ARG 54 2HH2 ARG 54 -9.223 13.828 -0.336 443 H LYS 55 H LYS 55 -5.753 10.338 -4.475 444 HA LYS 55 HA LYS 55 -7.383 8.055 -4.474 445 HB2 LYS 55 2HB LYS 55 -6.718 9.975 -6.717 446 HB3 LYS 55 3HB LYS 55 -8.001 8.777 -6.796 447 HG2 LYS 55 2HG LYS 55 -7.868 10.996 -4.757 448 HG3 LYS 55 3HG LYS 55 -8.778 11.071 -6.269 449 HD2 LYS 55 2HD LYS 55 -10.023 9.023 -5.521 450 HD3 LYS 55 3HD LYS 55 -9.213 9.172 -3.959 451 HE2 LYS 55 2HE LYS 55 -11.436 10.169 -3.885 452 HE3 LYS 55 3HE LYS 55 -10.192 11.399 -3.663 453 HZ1 LYS 55 3HZ LYS 55 -11.676 10.846 -6.178 454 HZ2 LYS 55 1HZ LYS 55 -10.442 11.991 -6.008 455 HZ3 LYS 55 2HZ LYS 55 -11.890 12.181 -5.161 456 H GLU 56 H GLU 56 -4.555 8.825 -6.498 457 HA GLU 56 HA GLU 56 -4.694 6.486 -8.090 458 HB2 GLU 56 2HB GLU 56 -2.400 8.391 -7.580 459 HB3 GLU 56 3HB GLU 56 -2.363 7.105 -8.779 460 HG2 GLU 56 2HG GLU 56 -4.226 9.473 -8.737 461 HG3 GLU 56 3HG GLU 56 -2.878 9.205 -9.843 462 H LEU 57 H LEU 57 -2.789 7.256 -5.185 463 HA LEU 57 HA LEU 57 -1.223 4.916 -5.166 464 HB2 LEU 57 2HB LEU 57 -2.169 6.597 -2.838 465 HB3 LEU 57 3HB LEU 57 -0.911 5.377 -2.745 466 HG LEU 57 HG LEU 57 -0.788 7.923 -4.378 467 HD11 LEU 57 1HD1 LEU 57 -0.593 8.343 -1.990 468 HD12 LEU 57 2HD1 LEU 57 0.951 8.598 -2.799 469 HD13 LEU 57 3HD1 LEU 57 0.680 7.129 -1.862 470 HD21 LEU 57 3HD2 LEU 57 1.549 7.298 -4.812 471 HD22 LEU 57 1HD2 LEU 57 0.421 6.123 -5.483 472 HD23 LEU 57 2HD2 LEU 57 1.286 5.760 -3.989 473 H ALA 58 H ALA 58 -4.392 5.577 -3.669 474 HA ALA 58 HA ALA 58 -4.747 3.032 -2.484 475 HB1 ALA 58 3HB ALA 58 -6.114 4.968 -1.878 476 HB2 ALA 58 1HB ALA 58 -7.125 3.611 -2.375 477 HB3 ALA 58 2HB ALA 58 -6.852 4.960 -3.480 478 H LYS 59 H LYS 59 -5.664 4.305 -5.657 479 HA LYS 59 HA LYS 59 -6.978 1.967 -6.583 480 HB2 LYS 59 2HB LYS 59 -7.419 4.144 -7.553 481 HB3 LYS 59 3HB LYS 59 -5.749 4.299 -8.070 482 HG2 LYS 59 2HG LYS 59 -6.014 2.858 -9.845 483 HG3 LYS 59 3HG LYS 59 -7.355 1.998 -9.085 484 HD2 LYS 59 2HD LYS 59 -8.023 3.419 -11.035 485 HD3 LYS 59 3HD LYS 59 -8.866 3.804 -9.535 486 HE2 LYS 59 2HE LYS 59 -8.255 5.859 -10.627 487 HE3 LYS 59 3HE LYS 59 -7.270 5.682 -9.177 488 HZ1 LYS 59 3HZ LYS 59 -5.458 4.870 -10.586 489 HZ2 LYS 59 1HZ LYS 59 -5.938 6.432 -11.020 490 HZ3 LYS 59 2HZ LYS 59 -6.409 5.112 -11.961 491 H GLU 60 H GLU 60 -3.611 2.995 -6.647 492 HA GLU 60 HA GLU 60 -2.687 0.943 -8.403 493 HB2 GLU 60 2HB GLU 60 -1.370 2.975 -8.020 494 HB3 GLU 60 3HB GLU 60 -1.184 2.554 -6.323 495 HG2 GLU 60 2HG GLU 60 0.191 0.681 -6.853 496 HG3 GLU 60 3HG GLU 60 -0.157 0.834 -8.575 497 H ALA 61 H ALA 61 -3.143 1.182 -4.907 498 HA ALA 61 HA ALA 61 -2.010 -1.254 -4.123 499 HB1 ALA 61 3HB ALA 61 -2.819 0.458 -2.549 500 HB2 ALA 61 1HB ALA 61 -3.463 -1.142 -2.177 501 HB3 ALA 61 2HB ALA 61 -4.480 0.055 -2.981 502 H GLU 62 H GLU 62 -5.305 -0.550 -5.266 503 HA GLU 62 HA GLU 62 -6.334 -3.161 -5.217 504 HB2 GLU 62 2HB GLU 62 -6.977 -0.998 -7.244 505 HB3 GLU 62 3HB GLU 62 -7.988 -2.375 -6.825 506 HG2 GLU 62 2HG GLU 62 -8.257 -1.486 -4.557 507 HG3 GLU 62 3HG GLU 62 -7.253 -0.101 -4.983 508 H ARG 63 H ARG 63 -4.537 -1.430 -7.724 509 HA ARG 63 HA ARG 63 -4.517 -3.336 -9.761 510 HB2 ARG 63 2HB ARG 63 -3.699 -1.014 -9.983 511 HB3 ARG 63 3HB ARG 63 -2.323 -1.406 -8.964 512 HG2 ARG 63 2HG ARG 63 -1.548 -3.017 -10.665 513 HG3 ARG 63 3HG ARG 63 -2.904 -2.548 -11.697 514 HD2 ARG 63 2HD ARG 63 -0.613 -0.812 -10.763 515 HD3 ARG 63 3HD ARG 63 -0.967 -1.325 -12.415 516 HE ARG 63 HE ARG 63 -3.176 0.009 -11.875 517 HH11 ARG 63 1HH1 ARG 63 0.094 0.886 -11.191 518 HH12 ARG 63 2HH1 ARG 63 -0.252 2.579 -11.212 519 HH21 ARG 63 1HH2 ARG 63 -3.595 2.168 -11.923 520 HH22 ARG 63 2HH2 ARG 63 -2.317 3.303 -11.641 521 H LEU 64 H LEU 64 -2.167 -2.880 -7.107 522 HA LEU 64 HA LEU 64 -0.471 -5.027 -7.686 523 HB2 LEU 64 2HB LEU 64 -1.184 -3.822 -5.005 524 HB3 LEU 64 3HB LEU 64 0.168 -4.903 -5.283 525 HG LEU 64 HG LEU 64 -0.148 -2.171 -6.548 526 HD11 LEU 64 1HD1 LEU 64 1.670 -1.497 -5.051 527 HD12 LEU 64 2HD1 LEU 64 1.627 -3.087 -4.287 528 HD13 LEU 64 3HD1 LEU 64 0.241 -2.005 -4.149 529 HD21 LEU 64 3HD2 LEU 64 2.140 -4.142 -6.588 530 HD22 LEU 64 1HD2 LEU 64 2.198 -2.497 -7.226 531 HD23 LEU 64 2HD2 LEU 64 1.123 -3.688 -7.958 532 H ALA 65 H ALA 65 -3.426 -4.929 -5.729 533 HA ALA 65 HA ALA 65 -3.430 -7.561 -4.788 534 HB1 ALA 65 3HB ALA 65 -5.804 -5.866 -5.558 535 HB2 ALA 65 1HB ALA 65 -4.992 -5.860 -3.994 536 HB3 ALA 65 2HB ALA 65 -5.848 -7.304 -4.537 537 H LYS 66 H LYS 66 -4.869 -6.254 -7.790 538 HA LYS 66 HA LYS 66 -5.816 -8.732 -8.780 539 HB2 LYS 66 2HB LYS 66 -5.034 -6.267 -10.362 540 HB3 LYS 66 3HB LYS 66 -6.055 -7.582 -10.932 541 HG2 LYS 66 2HG LYS 66 -6.694 -5.665 -8.695 542 HG3 LYS 66 3HG LYS 66 -7.395 -5.658 -10.314 543 HD2 LYS 66 2HD LYS 66 -8.374 -7.874 -9.893 544 HD3 LYS 66 3HD LYS 66 -7.670 -7.875 -8.273 545 HE2 LYS 66 2HE LYS 66 -8.990 -5.882 -7.707 546 HE3 LYS 66 3HE LYS 66 -9.702 -5.897 -9.319 547 HZ1 LYS 66 3HZ LYS 66 -10.642 -8.077 -8.822 548 HZ2 LYS 66 1HZ LYS 66 -11.174 -6.909 -7.721 549 HZ3 LYS 66 2HZ LYS 66 -9.986 -8.020 -7.264 550 H GLU 67 H GLU 67 -2.725 -7.089 -9.068 551 HA GLU 67 HA GLU 67 -1.564 -8.644 -11.100 552 HB2 GLU 67 2HB GLU 67 -0.603 -6.529 -10.360 553 HB3 GLU 67 3HB GLU 67 -0.286 -7.196 -8.766 554 HG2 GLU 67 2HG GLU 67 1.754 -7.070 -10.060 555 HG3 GLU 67 3HG GLU 67 1.338 -8.752 -9.735 556 H PHE 68 H PHE 68 -1.229 -8.973 -7.549 557 HA PHE 68 HA PHE 68 0.040 -11.586 -7.909 558 HB2 PHE 68 2HB PHE 68 -0.414 -10.011 -5.364 559 HB3 PHE 68 3HB PHE 68 0.594 -11.444 -5.539 560 HD1 PHE 68 HD1 PHE 68 2.599 -11.298 -7.130 561 HD2 PHE 68 HD2 PHE 68 0.476 -7.882 -5.711 562 HE1 PHE 68 HE1 PHE 68 4.519 -9.868 -7.693 563 HE2 PHE 68 HE2 PHE 68 2.396 -6.455 -6.276 564 HZ PHE 68 HZ PHE 68 4.421 -7.446 -7.268 565 H ASN 69 H ASN 69 -3.063 -10.626 -7.783 566 HA ASN 69 HA ASN 69 -5.063 -11.588 -7.285 567 HB2 ASN 69 2HB ASN 69 -3.413 -14.128 -7.127 568 HB3 ASN 69 3HB ASN 69 -5.171 -14.056 -7.265 569 HD21 ASN 69 1HD2 ASN 69 -6.088 -13.348 -9.216 570 HD22 ASN 69 2HD2 ASN 69 -5.179 -13.352 -10.687 571 H ILE 70 H ILE 70 -3.548 -10.469 -5.117 572 HA ILE 70 HA ILE 70 -4.189 -12.233 -2.845 573 HB ILE 70 HB ILE 70 -2.722 -10.758 -1.500 574 HG12 ILE 70 2HG1 ILE 70 -2.132 -9.418 -4.160 575 HG13 ILE 70 3HG1 ILE 70 -2.984 -8.685 -2.805 576 HG21 ILE 70 1HG2 ILE 70 -0.597 -11.515 -2.458 577 HG22 ILE 70 2HG2 ILE 70 -1.412 -11.892 -3.976 578 HG23 ILE 70 3HG2 ILE 70 -1.820 -12.785 -2.511 579 HD11 ILE 70 3HD1 ILE 70 -0.954 -8.855 -1.449 580 HD12 ILE 70 1HD1 ILE 70 -0.698 -7.907 -2.913 581 HD13 ILE 70 2HD1 ILE 70 -0.102 -9.565 -2.822 582 H THR 71 H THR 71 -4.812 -10.998 -0.795 583 HA THR 71 HA THR 71 -6.999 -9.136 -1.423 584 HB THR 71 HB THR 71 -6.407 -10.674 1.124 585 HG1 THR 71 HG1 THR 71 -7.222 -12.031 -0.488 586 HG21 THR 71 3HG2 THR 71 -7.531 -8.542 1.618 587 HG22 THR 71 1HG2 THR 71 -8.604 -9.914 1.900 588 HG23 THR 71 2HG2 THR 71 -8.789 -8.935 0.445 589 H VAL 72 H VAL 72 -7.141 -7.085 -0.572 590 HA VAL 72 HA VAL 72 -5.138 -6.150 1.343 591 HB VAL 72 HB VAL 72 -4.062 -5.738 -0.818 592 HG11 VAL 72 1HG1 VAL 72 -6.527 -4.127 -1.500 593 HG12 VAL 72 2HG1 VAL 72 -6.018 -5.639 -2.254 594 HG13 VAL 72 3HG1 VAL 72 -5.044 -4.183 -2.454 595 HG21 VAL 72 3HG2 VAL 72 -3.684 -4.125 0.982 596 HG22 VAL 72 1HG2 VAL 72 -5.074 -3.182 0.445 597 HG23 VAL 72 2HG2 VAL 72 -3.655 -3.331 -0.591 598 H THR 73 H THR 73 -5.853 -4.474 2.637 599 HA THR 73 HA THR 73 -8.433 -3.210 1.913 600 HB THR 73 HB THR 73 -8.861 -2.856 4.309 601 HG1 THR 73 HG1 THR 73 -7.433 -4.189 5.746 602 HG21 THR 73 3HG2 THR 73 -9.339 -5.179 4.936 603 HG22 THR 73 1HG2 THR 73 -8.261 -5.753 3.664 604 HG23 THR 73 2HG2 THR 73 -9.743 -4.892 3.244 605 H TYR 74 H TYR 74 -8.664 -0.966 2.307 606 HA TYR 74 HA TYR 74 -6.268 0.534 3.040 607 HB2 TYR 74 2HB TYR 74 -6.461 1.961 0.995 608 HB3 TYR 74 3HB TYR 74 -5.977 0.304 0.665 609 HD1 TYR 74 HD2 TYR 74 -7.949 -1.335 0.033 610 HD2 TYR 74 HD1 TYR 74 -8.166 2.909 -0.286 611 HE1 TYR 74 HE2 TYR 74 -9.775 -1.556 -1.596 612 HE2 TYR 74 HE1 TYR 74 -9.994 2.694 -1.917 613 HH TYR 74 HH TYR 74 -10.783 0.869 -3.591 614 H THR 75 H THR 75 -6.773 2.143 4.371 615 HA THR 75 HA THR 75 -9.404 3.473 4.129 616 HB THR 75 HB THR 75 -8.097 2.738 6.767 617 HG1 THR 75 HG1 THR 75 -9.028 0.876 6.400 618 HG21 THR 75 3HG2 THR 75 -9.430 4.785 6.904 619 HG22 THR 75 1HG2 THR 75 -10.239 3.465 7.749 620 HG23 THR 75 2HG2 THR 75 -10.796 3.963 6.152 621 H ILE 76 H ILE 76 -9.446 5.681 4.564 622 HA ILE 76 HA ILE 76 -6.813 6.988 4.690 623 HB ILE 76 HB ILE 76 -9.482 8.197 3.931 624 HG12 ILE 76 2HG1 ILE 76 -8.846 6.482 2.311 625 HG13 ILE 76 3HG1 ILE 76 -8.652 8.077 1.598 626 HG21 ILE 76 1HG2 ILE 76 -8.146 10.050 3.040 627 HG22 ILE 76 2HG2 ILE 76 -6.673 9.269 3.614 628 HG23 ILE 76 3HG2 ILE 76 -7.877 9.838 4.771 629 HD11 ILE 76 3HD1 ILE 76 -6.447 6.337 2.684 630 HD12 ILE 76 1HD1 ILE 76 -6.239 7.952 2.002 631 HD13 ILE 76 2HD1 ILE 76 -6.816 6.632 0.985 632 H ARG 77 H ARG 77 -6.237 7.375 6.756 633 HA ARG 77 HA ARG 77 -8.167 8.147 8.778 634 HB2 ARG 77 2HB ARG 77 -5.178 7.719 8.824 635 HB3 ARG 77 3HB ARG 77 -6.074 8.279 10.229 636 HG2 ARG 77 2HG ARG 77 -7.306 6.251 10.367 637 HG3 ARG 77 3HG ARG 77 -6.726 5.717 8.790 638 HD2 ARG 77 2HD ARG 77 -5.630 4.612 10.764 639 HD3 ARG 77 3HD ARG 77 -4.528 5.363 9.614 640 HE ARG 77 HE ARG 77 -4.324 7.221 11.211 641 HH11 ARG 77 1HH1 ARG 77 -5.545 4.223 12.410 642 HH12 ARG 77 2HH1 ARG 77 -4.965 4.514 14.009 643 HH21 ARG 77 1HH2 ARG 77 -3.533 7.537 13.241 644 HH22 ARG 77 2HH2 ARG 77 -3.824 6.354 14.472 645 H LEU 78 H LEU 78 -8.934 10.157 8.657 646 HA LEU 78 HA LEU 78 -7.253 12.372 7.754 647 HB2 LEU 78 2HB LEU 78 -9.664 11.872 6.984 648 HB3 LEU 78 3HB LEU 78 -10.168 12.498 8.537 649 HG LEU 78 HG LEU 78 -10.390 14.153 6.721 650 HD11 LEU 78 1HD1 LEU 78 -8.298 14.940 8.745 651 HD12 LEU 78 2HD1 LEU 78 -10.044 14.960 8.995 652 HD13 LEU 78 3HD1 LEU 78 -9.312 16.039 7.809 653 HD21 LEU 78 3HD2 LEU 78 -8.403 15.146 5.695 654 HD22 LEU 78 1HD2 LEU 78 -8.547 13.431 5.314 655 HD23 LEU 78 2HD2 LEU 78 -7.385 13.969 6.527 656 H GLU 79 H GLU 79 -6.020 13.314 9.306 657 HA GLU 79 HA GLU 79 -7.066 13.615 12.019 658 HB2 GLU 79 2HB GLU 79 -4.749 12.914 11.850 659 HB3 GLU 79 3HB GLU 79 -4.360 14.316 10.861 660 HG2 GLU 79 2HG GLU 79 -3.577 14.678 13.110 661 HG3 GLU 79 3HG GLU 79 -4.899 15.789 12.763 662 H HIS 80 H HIS 80 -7.823 15.438 12.855 663 HA HIS 80 HA HIS 80 -7.306 18.075 12.116 664 HB2 HIS 80 2HB HIS 80 -8.346 17.522 9.958 665 HB3 HIS 80 3HB HIS 80 -9.787 16.937 10.781 666 HD1 HIS 80 HD1 HIS 80 -8.009 20.081 9.812 667 HD2 HIS 80 HD2 HIS 80 -11.543 18.933 11.668 668 HE1 HIS 80 HE1 HIS 80 -9.405 22.160 9.942 669 HE2 HIS 80 HE2 HIS 80 -11.603 21.402 10.903 670 H HIS 81 H HIS 81 -7.906 19.203 13.901 671 HA HIS 81 HA HIS 81 -9.396 18.036 15.981 672 HB2 HIS 81 2HB HIS 81 -7.734 19.810 16.359 673 HB3 HIS 81 3HB HIS 81 -8.782 20.974 15.556 674 HD1 HIS 81 HD1 HIS 81 -10.555 22.088 16.975 675 HD2 HIS 81 HD2 HIS 81 -8.763 18.867 18.892 676 HE1 HIS 81 HE1 HIS 81 -11.411 22.149 19.329 677 HE2 HIS 81 HE2 HIS 81 -10.198 20.290 20.508 678 H HIS 82 H HIS 82 -11.418 17.369 15.362 679 HA HIS 82 HA HIS 82 -13.380 19.415 14.566 680 HB2 HIS 82 2HB HIS 82 -13.321 17.346 13.220 681 HB3 HIS 82 3HB HIS 82 -13.626 16.391 14.666 682 HD1 HIS 82 HD1 HIS 82 -16.050 16.431 15.627 683 HD2 HIS 82 HD2 HIS 82 -15.563 18.594 12.112 684 HE1 HIS 82 HE1 HIS 82 -18.370 16.929 14.817 685 HE2 HIS 82 HE2 HIS 82 -18.042 18.025 12.580 686 H HIS 83 H HIS 83 -14.574 20.330 16.147 687 HA HIS 83 HA HIS 83 -14.516 19.535 18.831 688 HB2 HIS 83 2HB HIS 83 -15.117 21.812 18.174 689 HB3 HIS 83 3HB HIS 83 -16.589 21.225 17.407 690 HD1 HIS 83 HD1 HIS 83 -15.033 21.519 20.856 691 HD2 HIS 83 HD2 HIS 83 -18.760 21.057 19.077 692 HE1 HIS 83 HE1 HIS 83 -16.694 21.667 22.729 693 HE2 HIS 83 HE2 HIS 83 -18.931 21.279 21.645 694 H HIS 84 H HIS 84 -15.121 17.519 19.389 695 HA HIS 84 HA HIS 84 -17.316 16.091 18.281 696 HB2 HIS 84 2HB HIS 84 -15.483 14.857 19.207 697 HB3 HIS 84 3HB HIS 84 -15.624 15.678 20.756 698 HD1 HIS 84 HD1 HIS 84 -17.337 13.039 18.664 699 HD2 HIS 84 HD2 HIS 84 -17.392 14.536 22.540 700 HE1 HIS 84 HE1 HIS 84 -18.776 11.459 19.976 701 HE2 HIS 84 HE2 HIS 84 -18.920 12.472 22.275 702 H HIS 85 H HIS 85 -19.422 15.938 18.913 703 HA HIS 85 HA HIS 85 -20.549 17.790 20.746 704 HB2 HIS 85 2HB HIS 85 -21.850 16.960 18.882 705 HB3 HIS 85 3HB HIS 85 -21.704 15.305 19.460 706 HD1 HIS 85 HD1 HIS 85 -23.424 14.499 21.090 707 HD2 HIS 85 HD2 HIS 85 -23.598 18.610 20.509 708 HE1 HIS 85 HE1 HIS 85 -25.503 15.254 22.270 709 HE2 HIS 85 HE2 HIS 85 -25.674 17.710 21.767 Start of MODEL 6 1 H1 MET 1 1H MET 1 -3.258 13.705 7.226 2 H2 MET 1 2H MET 1 -3.754 14.706 5.958 3 H3 MET 1 3H MET 1 -2.222 13.990 5.919 4 HA MET 1 HA MET 1 -4.808 12.539 5.833 5 HB2 MET 1 2HB MET 1 -3.958 13.963 3.789 6 HB3 MET 1 3HB MET 1 -2.827 12.637 3.570 7 HG2 MET 1 2HG MET 1 -5.835 12.451 3.559 8 HG3 MET 1 3HG MET 1 -4.773 12.356 2.158 9 HE1 MET 1 3HE MET 1 -2.390 10.530 3.132 10 HE2 MET 1 1HE MET 1 -3.223 10.293 1.596 11 HE3 MET 1 2HE MET 1 -2.978 8.929 2.688 12 H GLU 2 H GLU 2 -4.658 10.431 6.336 13 HA GLU 2 HA GLU 2 -2.042 9.079 6.323 14 HB2 GLU 2 2HB GLU 2 -4.005 9.099 8.638 15 HB3 GLU 2 3HB GLU 2 -2.566 8.091 8.545 16 HG2 GLU 2 2HG GLU 2 -1.132 9.991 8.651 17 HG3 GLU 2 3HG GLU 2 -2.487 11.102 8.462 18 H MET 3 H MET 3 -2.135 6.879 5.822 19 HA MET 3 HA MET 3 -4.767 5.615 5.551 20 HB2 MET 3 2HB MET 3 -4.297 4.942 3.214 21 HB3 MET 3 3HB MET 3 -4.468 6.680 3.410 22 HG2 MET 3 2HG MET 3 -1.933 6.773 3.495 23 HG3 MET 3 3HG MET 3 -1.958 5.100 2.937 24 HE1 MET 3 3HE MET 3 -3.335 4.399 0.660 25 HE2 MET 3 1HE MET 3 -3.929 5.581 -0.504 26 HE3 MET 3 2HE MET 3 -4.721 5.410 1.061 27 H ASP 4 H ASP 4 -4.657 3.665 6.480 28 HA ASP 4 HA ASP 4 -2.121 2.226 6.679 29 HB2 ASP 4 2HB ASP 4 -4.867 1.554 7.777 30 HB3 ASP 4 3HB ASP 4 -3.397 0.638 8.098 31 H ILE 5 H ILE 5 -1.594 1.170 4.828 32 HA ILE 5 HA ILE 5 -3.674 -0.339 3.381 33 HB ILE 5 HB ILE 5 -0.851 0.247 2.454 34 HG12 ILE 5 2HG1 ILE 5 -3.372 1.816 1.820 35 HG13 ILE 5 3HG1 ILE 5 -2.088 2.361 2.895 36 HG21 ILE 5 1HG2 ILE 5 -3.337 -0.580 0.942 37 HG22 ILE 5 2HG2 ILE 5 -1.953 -1.608 1.313 38 HG23 ILE 5 3HG2 ILE 5 -1.762 -0.234 0.224 39 HD11 ILE 5 3HD1 ILE 5 -0.519 2.290 1.001 40 HD12 ILE 5 1HD1 ILE 5 -1.857 3.409 0.752 41 HD13 ILE 5 2HD1 ILE 5 -1.857 1.843 -0.057 42 H ARG 6 H ARG 6 -3.817 -2.415 4.099 43 HA ARG 6 HA ARG 6 -1.316 -3.803 4.813 44 HB2 ARG 6 2HB ARG 6 -2.818 -5.405 6.055 45 HB3 ARG 6 3HB ARG 6 -2.720 -3.777 6.707 46 HG2 ARG 6 2HG ARG 6 -4.875 -3.242 5.622 47 HG3 ARG 6 3HG ARG 6 -4.981 -4.914 5.064 48 HD2 ARG 6 2HD ARG 6 -6.285 -4.481 7.137 49 HD3 ARG 6 3HD ARG 6 -5.052 -5.726 7.336 50 HE ARG 6 HE ARG 6 -3.672 -4.005 8.440 51 HH11 ARG 6 1HH1 ARG 6 -7.088 -3.520 8.279 52 HH12 ARG 6 2HH1 ARG 6 -7.099 -2.423 9.614 53 HH21 ARG 6 1HH2 ARG 6 -3.711 -2.642 10.168 54 HH22 ARG 6 2HH2 ARG 6 -5.213 -1.959 10.701 55 H PHE 7 H PHE 7 -0.579 -5.356 3.597 56 HA PHE 7 HA PHE 7 -2.275 -6.552 1.506 57 HB2 PHE 7 2HB PHE 7 0.731 -6.375 1.818 58 HB3 PHE 7 3HB PHE 7 -0.052 -7.329 0.567 59 HD1 PHE 7 HD2 PHE 7 0.735 -3.934 1.720 60 HD2 PHE 7 HD1 PHE 7 -1.136 -6.272 -1.315 61 HE1 PHE 7 HE2 PHE 7 0.675 -1.968 0.241 62 HE2 PHE 7 HE1 PHE 7 -1.191 -4.310 -2.795 63 HZ PHE 7 HZ PHE 7 -0.288 -2.158 -2.022 64 H ARG 8 H ARG 8 -2.843 -8.656 1.600 65 HA ARG 8 HA ARG 8 -1.152 -10.554 3.059 66 HB2 ARG 8 2HB ARG 8 -2.910 -9.877 4.643 67 HB3 ARG 8 3HB ARG 8 -4.144 -10.317 3.469 68 HG2 ARG 8 2HG ARG 8 -3.498 -12.650 3.611 69 HG3 ARG 8 3HG ARG 8 -2.171 -12.242 4.702 70 HD2 ARG 8 2HD ARG 8 -4.076 -13.118 5.943 71 HD3 ARG 8 3HD ARG 8 -3.773 -11.434 6.362 72 HE ARG 8 HE ARG 8 -5.833 -12.076 4.374 73 HH11 ARG 8 1HH1 ARG 8 -4.932 -10.767 7.433 74 HH12 ARG 8 2HH1 ARG 8 -6.522 -10.166 7.765 75 HH21 ARG 8 1HH2 ARG 8 -7.870 -11.281 4.805 76 HH22 ARG 8 2HH2 ARG 8 -8.167 -10.462 6.299 77 H GLY 9 H GLY 9 -0.691 -12.200 1.714 78 HA2 GLY 9 2HA GLY 9 -2.653 -13.594 0.199 79 HA3 GLY 9 3HA GLY 9 -1.757 -12.500 -0.841 80 H ASP 10 H ASP 10 -1.773 -15.278 -1.194 81 HA ASP 10 HA ASP 10 0.658 -16.360 -0.026 82 HB2 ASP 10 2HB ASP 10 -1.283 -17.575 -2.006 83 HB3 ASP 10 3HB ASP 10 0.042 -18.429 -1.217 84 H ASP 11 H ASP 11 2.250 -15.011 -0.944 85 HA ASP 11 HA ASP 11 3.412 -16.157 -3.291 86 HB2 ASP 11 2HB ASP 11 1.770 -14.407 -4.202 87 HB3 ASP 11 3HB ASP 11 2.824 -13.191 -3.489 88 H LEU 12 H LEU 12 5.609 -15.113 -3.738 89 HA LEU 12 HA LEU 12 6.783 -14.262 -1.164 90 HB2 LEU 12 2HB LEU 12 7.622 -16.391 -2.058 91 HB3 LEU 12 3HB LEU 12 8.108 -15.587 -3.539 92 HG LEU 12 HG LEU 12 9.736 -14.227 -2.247 93 HD11 LEU 12 1HD1 LEU 12 8.879 -15.960 0.075 94 HD12 LEU 12 2HD1 LEU 12 8.647 -14.217 -0.079 95 HD13 LEU 12 3HD1 LEU 12 10.275 -14.880 0.066 96 HD21 LEU 12 3HD2 LEU 12 11.341 -16.023 -1.831 97 HD22 LEU 12 1HD2 LEU 12 10.460 -16.291 -3.335 98 HD23 LEU 12 2HD2 LEU 12 10.039 -17.211 -1.890 99 H GLU 13 H GLU 13 7.144 -13.694 -4.680 100 HA GLU 13 HA GLU 13 8.834 -11.412 -4.325 101 HB2 GLU 13 2HB GLU 13 7.387 -12.510 -6.733 102 HB3 GLU 13 3HB GLU 13 8.354 -11.041 -6.804 103 HG2 GLU 13 2HG GLU 13 10.295 -12.381 -5.952 104 HG3 GLU 13 3HG GLU 13 9.301 -13.824 -6.142 105 H ALA 14 H ALA 14 5.391 -11.832 -4.448 106 HA ALA 14 HA ALA 14 4.501 -9.362 -5.338 107 HB1 ALA 14 3HB ALA 14 3.273 -11.027 -3.141 108 HB2 ALA 14 1HB ALA 14 3.024 -11.262 -4.871 109 HB3 ALA 14 2HB ALA 14 2.453 -9.786 -4.092 110 H PHE 15 H PHE 15 5.841 -10.186 -2.178 111 HA PHE 15 HA PHE 15 5.224 -7.846 -0.767 112 HB2 PHE 15 2HB PHE 15 6.187 -9.679 0.427 113 HB3 PHE 15 3HB PHE 15 7.608 -9.702 -0.610 114 HD1 PHE 15 HD2 PHE 15 5.814 -7.498 1.810 115 HD2 PHE 15 HD1 PHE 15 9.551 -8.634 0.098 116 HE1 PHE 15 HE2 PHE 15 6.987 -6.022 3.390 117 HE2 PHE 15 HE1 PHE 15 10.724 -7.159 1.677 118 HZ PHE 15 HZ PHE 15 9.445 -5.848 3.326 119 H GLU 16 H GLU 16 8.296 -8.554 -2.469 120 HA GLU 16 HA GLU 16 9.368 -5.976 -2.364 121 HB2 GLU 16 2HB GLU 16 10.736 -7.889 -2.959 122 HB3 GLU 16 3HB GLU 16 9.780 -8.176 -4.406 123 HG2 GLU 16 2HG GLU 16 10.575 -6.092 -5.374 124 HG3 GLU 16 3HG GLU 16 11.485 -5.738 -3.908 125 H LYS 17 H LYS 17 7.351 -7.486 -4.859 126 HA LYS 17 HA LYS 17 7.359 -5.436 -6.754 127 HB2 LYS 17 2HB LYS 17 5.234 -7.467 -6.055 128 HB3 LYS 17 3HB LYS 17 5.136 -6.412 -7.457 129 HG2 LYS 17 2HG LYS 17 7.372 -8.372 -6.954 130 HG3 LYS 17 3HG LYS 17 5.960 -8.690 -7.966 131 HD2 LYS 17 2HD LYS 17 6.583 -6.752 -9.380 132 HD3 LYS 17 3HD LYS 17 8.039 -6.537 -8.404 133 HE2 LYS 17 2HE LYS 17 8.822 -8.750 -9.062 134 HE3 LYS 17 3HE LYS 17 7.345 -9.017 -9.988 135 HZ1 LYS 17 3HZ LYS 17 7.939 -7.262 -11.470 136 HZ2 LYS 17 1HZ LYS 17 9.259 -8.314 -11.351 137 HZ3 LYS 17 2HZ LYS 17 9.280 -6.834 -10.534 138 H ALA 18 H ALA 18 4.903 -6.037 -4.221 139 HA ALA 18 HA ALA 18 3.317 -3.783 -4.826 140 HB1 ALA 18 3HB ALA 18 2.204 -4.209 -2.700 141 HB2 ALA 18 1HB ALA 18 3.524 -5.271 -2.202 142 HB3 ALA 18 2HB ALA 18 2.492 -5.722 -3.559 143 H LEU 19 H LEU 19 5.871 -4.272 -2.415 144 HA LEU 19 HA LEU 19 5.638 -1.793 -1.114 145 HB2 LEU 19 2HB LEU 19 6.863 -3.755 -0.237 146 HB3 LEU 19 3HB LEU 19 8.103 -3.512 -1.452 147 HG LEU 19 HG LEU 19 8.638 -1.310 -0.436 148 HD11 LEU 19 1HD1 LEU 19 6.648 -2.142 1.677 149 HD12 LEU 19 2HD1 LEU 19 6.490 -0.784 0.561 150 HD13 LEU 19 3HD1 LEU 19 7.751 -0.770 1.791 151 HD21 LEU 19 3HD2 LEU 19 9.775 -2.187 1.532 152 HD22 LEU 19 1HD2 LEU 19 9.897 -3.321 0.188 153 HD23 LEU 19 2HD2 LEU 19 8.755 -3.629 1.500 154 H LYS 20 H LYS 20 7.967 -2.772 -3.673 155 HA LYS 20 HA LYS 20 9.254 -0.266 -3.788 156 HB2 LYS 20 2HB LYS 20 10.256 -2.377 -4.619 157 HB3 LYS 20 3HB LYS 20 9.115 -2.375 -5.957 158 HG2 LYS 20 2HG LYS 20 11.321 -1.550 -6.635 159 HG3 LYS 20 3HG LYS 20 10.076 -0.310 -6.814 160 HD2 LYS 20 2HD LYS 20 10.780 0.665 -4.647 161 HD3 LYS 20 3HD LYS 20 12.066 -0.539 -4.545 162 HE2 LYS 20 2HE LYS 20 11.775 1.515 -6.745 163 HE3 LYS 20 3HE LYS 20 12.866 1.655 -5.366 164 HZ1 LYS 20 3HZ LYS 20 13.966 -0.392 -6.129 165 HZ2 LYS 20 1HZ LYS 20 14.055 0.856 -7.269 166 HZ3 LYS 20 2HZ LYS 20 12.965 -0.417 -7.490 167 H GLU 21 H GLU 21 6.570 -1.581 -5.729 168 HA GLU 21 HA GLU 21 6.401 0.415 -7.665 169 HB2 GLU 21 2HB GLU 21 4.232 -1.258 -6.388 170 HB3 GLU 21 3HB GLU 21 3.921 -0.163 -7.728 171 HG2 GLU 21 2HG GLU 21 5.848 -2.484 -7.796 172 HG3 GLU 21 3HG GLU 21 4.209 -2.499 -8.444 173 H MET 22 H MET 22 4.832 0.334 -4.452 174 HA MET 22 HA MET 22 3.596 2.892 -4.800 175 HB2 MET 22 2HB MET 22 4.107 1.409 -2.213 176 HB3 MET 22 3HB MET 22 2.954 2.715 -2.466 177 HG2 MET 22 2HG MET 22 1.871 1.180 -4.206 178 HG3 MET 22 3HG MET 22 2.841 -0.103 -3.487 179 HE1 MET 22 3HE MET 22 1.048 3.014 -1.839 180 HE2 MET 22 1HE MET 22 -0.467 2.269 -1.333 181 HE3 MET 22 2HE MET 22 -0.086 2.410 -3.047 182 H ILE 23 H ILE 23 6.598 1.799 -3.260 183 HA ILE 23 HA ILE 23 7.401 4.187 -2.045 184 HB ILE 23 HB ILE 23 9.061 1.998 -3.312 185 HG12 ILE 23 2HG1 ILE 23 8.444 2.672 -0.419 186 HG13 ILE 23 3HG1 ILE 23 7.738 1.346 -1.337 187 HG21 ILE 23 1HG2 ILE 23 10.386 4.044 -3.331 188 HG22 ILE 23 2HG2 ILE 23 11.005 2.922 -2.121 189 HG23 ILE 23 3HG2 ILE 23 10.037 4.308 -1.624 190 HD11 ILE 23 3HD1 ILE 23 9.945 0.315 -1.533 191 HD12 ILE 23 1HD1 ILE 23 9.481 0.558 0.148 192 HD13 ILE 23 2HD1 ILE 23 10.646 1.643 -0.609 193 H ARG 24 H ARG 24 7.604 3.177 -5.415 194 HA ARG 24 HA ARG 24 9.267 5.057 -6.538 195 HB2 ARG 24 2HB ARG 24 8.291 3.271 -7.841 196 HB3 ARG 24 3HB ARG 24 6.676 3.921 -7.605 197 HG2 ARG 24 2HG ARG 24 7.195 5.836 -8.985 198 HG3 ARG 24 3HG ARG 24 8.874 5.310 -9.133 199 HD2 ARG 24 2HD ARG 24 7.488 4.767 -11.122 200 HD3 ARG 24 3HD ARG 24 8.213 3.349 -10.363 201 HE ARG 24 HE ARG 24 5.403 4.128 -9.894 202 HH11 ARG 24 1HH1 ARG 24 7.785 1.761 -10.659 203 HH12 ARG 24 2HH1 ARG 24 6.658 0.455 -10.633 204 HH21 ARG 24 1HH2 ARG 24 3.948 2.437 -9.886 205 HH22 ARG 24 2HH2 ARG 24 4.512 0.837 -10.240 206 H GLN 25 H GLN 25 5.777 5.494 -5.850 207 HA GLN 25 HA GLN 25 5.797 8.277 -6.561 208 HB2 GLN 25 2HB GLN 25 3.809 6.627 -4.987 209 HB3 GLN 25 3HB GLN 25 3.558 8.315 -5.407 210 HG2 GLN 25 2HG GLN 25 3.908 6.056 -7.376 211 HG3 GLN 25 3HG GLN 25 2.373 6.783 -6.910 212 HE21 GLN 25 1HE2 GLN 25 5.300 7.198 -8.720 213 HE22 GLN 25 2HE2 GLN 25 4.797 8.590 -9.604 214 H ALA 26 H ALA 26 5.969 6.487 -3.498 215 HA ALA 26 HA ALA 26 5.706 8.583 -1.695 216 HB1 ALA 26 3HB ALA 26 6.811 7.138 -0.068 217 HB2 ALA 26 1HB ALA 26 7.392 6.099 -1.370 218 HB3 ALA 26 2HB ALA 26 5.662 6.227 -1.048 219 H ARG 27 H ARG 27 8.595 7.552 -3.449 220 HA ARG 27 HA ARG 27 10.517 9.047 -2.047 221 HB2 ARG 27 2HB ARG 27 10.451 8.274 -4.973 222 HB3 ARG 27 3HB ARG 27 11.862 8.918 -4.148 223 HG2 ARG 27 2HG ARG 27 10.492 6.400 -3.239 224 HG3 ARG 27 3HG ARG 27 11.739 6.398 -4.484 225 HD2 ARG 27 2HD ARG 27 12.783 5.875 -2.402 226 HD3 ARG 27 3HD ARG 27 13.276 7.502 -2.852 227 HE ARG 27 HE ARG 27 11.806 8.352 -1.148 228 HH11 ARG 27 1HH1 ARG 27 12.307 4.935 -1.065 229 HH12 ARG 27 2HH1 ARG 27 11.872 4.812 0.605 230 HH21 ARG 27 1HH2 ARG 27 11.302 8.177 0.996 231 HH22 ARG 27 2HH2 ARG 27 11.323 6.623 1.762 232 H LYS 28 H LYS 28 8.161 10.044 -4.440 233 HA LYS 28 HA LYS 28 9.344 12.599 -5.019 234 HB2 LYS 28 2HB LYS 28 6.729 11.276 -5.638 235 HB3 LYS 28 3HB LYS 28 6.846 13.016 -5.821 236 HG2 LYS 28 2HG LYS 28 7.210 12.022 -7.949 237 HG3 LYS 28 3HG LYS 28 8.747 12.672 -7.396 238 HD2 LYS 28 2HD LYS 28 8.127 9.793 -6.860 239 HD3 LYS 28 3HD LYS 28 8.569 10.270 -8.496 240 HE2 LYS 28 2HE LYS 28 10.636 11.318 -7.561 241 HE3 LYS 28 3HE LYS 28 10.208 10.649 -5.989 242 HZ1 LYS 28 3HZ LYS 28 10.820 9.122 -8.460 243 HZ2 LYS 28 1HZ LYS 28 10.272 8.419 -7.021 244 HZ3 LYS 28 2HZ LYS 28 11.765 9.210 -7.060 245 H PHE 29 H PHE 29 7.652 11.413 -2.330 246 HA PHE 29 HA PHE 29 6.717 14.113 -1.575 247 HB2 PHE 29 2HB PHE 29 5.773 11.436 -0.517 248 HB3 PHE 29 3HB PHE 29 5.133 13.013 -0.063 249 HD1 PHE 29 HD1 PHE 29 4.300 14.483 -2.111 250 HD2 PHE 29 HD2 PHE 29 4.649 10.233 -2.138 251 HE1 PHE 29 HE1 PHE 29 2.686 14.362 -3.962 252 HE2 PHE 29 HE2 PHE 29 3.035 10.113 -3.989 253 HZ PHE 29 HZ PHE 29 2.055 12.177 -4.904 254 H ALA 30 H ALA 30 7.088 14.883 0.541 255 HA ALA 30 HA ALA 30 9.358 13.641 1.939 256 HB1 ALA 30 3HB ALA 30 8.138 16.385 2.279 257 HB2 ALA 30 1HB ALA 30 9.580 16.006 1.338 258 HB3 ALA 30 2HB ALA 30 9.588 15.791 3.089 259 H GLY 31 H GLY 31 7.380 12.032 2.447 260 HA2 GLY 31 2HA GLY 31 6.222 12.859 5.055 261 HA3 GLY 31 3HA GLY 31 5.327 11.908 3.883 262 H THR 32 H THR 32 5.103 10.538 5.883 263 HA THR 32 HA THR 32 7.465 8.841 6.390 264 HB THR 32 HB THR 32 4.889 9.084 7.972 265 HG1 THR 32 HG1 THR 32 7.537 10.048 8.404 266 HG21 THR 32 3HG2 THR 32 7.389 7.487 8.578 267 HG22 THR 32 1HG2 THR 32 5.809 6.821 8.157 268 HG23 THR 32 2HG2 THR 32 6.022 7.701 9.669 269 H VAL 33 H VAL 33 7.552 6.829 5.575 270 HA VAL 33 HA VAL 33 5.035 5.380 5.047 271 HB VAL 33 HB VAL 33 7.477 5.310 3.251 272 HG11 VAL 33 1HG1 VAL 33 6.072 3.915 1.774 273 HG12 VAL 33 2HG1 VAL 33 4.813 3.899 3.009 274 HG13 VAL 33 3HG1 VAL 33 6.377 3.147 3.331 275 HG21 VAL 33 3HG2 VAL 33 6.254 7.397 2.965 276 HG22 VAL 33 1HG2 VAL 33 4.743 6.509 2.762 277 HG23 VAL 33 2HG2 VAL 33 6.024 6.361 1.558 278 H THR 34 H THR 34 5.000 3.737 6.469 279 HA THR 34 HA THR 34 7.515 2.248 6.955 280 HB THR 34 HB THR 34 6.946 3.463 8.987 281 HG1 THR 34 HG1 THR 34 7.499 1.729 10.086 282 HG21 THR 34 3HG2 THR 34 4.293 2.006 8.871 283 HG22 THR 34 1HG2 THR 34 4.528 3.738 8.621 284 HG23 THR 34 2HG2 THR 34 4.852 3.022 10.203 285 H TYR 35 H TYR 35 7.182 -0.011 7.692 286 HA TYR 35 HA TYR 35 4.713 -1.324 6.971 287 HB2 TYR 35 2HB TYR 35 5.676 -2.732 5.198 288 HB3 TYR 35 3HB TYR 35 5.726 -1.031 4.754 289 HD1 TYR 35 HD2 TYR 35 7.940 0.216 5.004 290 HD2 TYR 35 HD1 TYR 35 7.659 -4.032 5.230 291 HE1 TYR 35 HE2 TYR 35 10.351 0.036 4.573 292 HE2 TYR 35 HE1 TYR 35 10.073 -4.213 4.804 293 HH TYR 35 HH TYR 35 12.177 -1.646 5.070 294 H THR 36 H THR 36 4.505 -3.321 7.969 295 HA THR 36 HA THR 36 6.920 -4.514 9.174 296 HB THR 36 HB THR 36 5.975 -3.234 10.982 297 HG1 THR 36 HG1 THR 36 5.248 -5.141 12.353 298 HG21 THR 36 3HG2 THR 36 3.688 -2.965 10.159 299 HG22 THR 36 1HG2 THR 36 3.686 -3.602 11.806 300 HG23 THR 36 2HG2 THR 36 3.368 -4.676 10.445 301 H LEU 37 H LEU 37 7.054 -6.663 9.036 302 HA LEU 37 HA LEU 37 4.794 -8.189 7.956 303 HB2 LEU 37 2HB LEU 37 7.722 -8.842 8.326 304 HB3 LEU 37 3HB LEU 37 6.544 -10.045 7.843 305 HG LEU 37 HG LEU 37 7.733 -9.260 5.899 306 HD11 LEU 37 1HD1 LEU 37 4.927 -8.155 5.950 307 HD12 LEU 37 2HD1 LEU 37 5.382 -9.824 5.604 308 HD13 LEU 37 3HD1 LEU 37 5.867 -8.532 4.504 309 HD21 LEU 37 3HD2 LEU 37 6.789 -6.484 6.631 310 HD22 LEU 37 1HD2 LEU 37 7.654 -6.931 5.162 311 HD23 LEU 37 2HD2 LEU 37 8.448 -7.078 6.728 312 H ASP 38 H ASP 38 3.396 -8.734 9.589 313 HA ASP 38 HA ASP 38 4.564 -10.135 11.921 314 HB2 ASP 38 2HB ASP 38 3.328 -7.878 12.267 315 HB3 ASP 38 3HB ASP 38 1.860 -8.808 11.987 316 H GLY 39 H GLY 39 4.372 -12.255 11.518 317 HA2 GLY 39 2HA GLY 39 3.330 -14.303 11.324 318 HA3 GLY 39 3HA GLY 39 1.784 -13.477 11.431 319 H ASN 40 H ASN 40 0.824 -12.646 9.494 320 HA ASN 40 HA ASN 40 2.045 -13.386 6.942 321 HB2 ASN 40 2HB ASN 40 0.008 -14.561 6.172 322 HB3 ASN 40 3HB ASN 40 0.771 -15.379 7.532 323 HD21 ASN 40 1HD2 ASN 40 -1.957 -13.496 6.497 324 HD22 ASN 40 2HD2 ASN 40 -2.952 -13.824 7.871 325 H ASP 41 H ASP 41 0.982 -10.966 8.571 326 HA ASP 41 HA ASP 41 -0.600 -9.757 6.384 327 HB2 ASP 41 2HB ASP 41 -0.611 -8.959 9.311 328 HB3 ASP 41 3HB ASP 41 -1.626 -8.289 8.036 329 H LEU 42 H LEU 42 0.273 -8.042 5.378 330 HA LEU 42 HA LEU 42 2.719 -6.818 6.478 331 HB2 LEU 42 2HB LEU 42 3.022 -7.730 4.276 332 HB3 LEU 42 3HB LEU 42 1.583 -6.925 3.680 333 HG LEU 42 HG LEU 42 2.702 -4.737 3.933 334 HD11 LEU 42 1HD1 LEU 42 5.085 -4.604 4.408 335 HD12 LEU 42 2HD1 LEU 42 5.136 -6.341 4.707 336 HD13 LEU 42 3HD1 LEU 42 4.207 -5.290 5.775 337 HD21 LEU 42 3HD2 LEU 42 4.315 -5.008 2.093 338 HD22 LEU 42 1HD2 LEU 42 2.804 -5.865 1.788 339 HD23 LEU 42 2HD2 LEU 42 4.236 -6.758 2.296 340 H GLU 43 H GLU 43 2.127 -5.150 7.768 341 HA GLU 43 HA GLU 43 -0.040 -3.347 7.025 342 HB2 GLU 43 2HB GLU 43 1.836 -3.202 9.399 343 HB3 GLU 43 3HB GLU 43 0.335 -2.313 9.197 344 HG2 GLU 43 2HG GLU 43 0.511 -5.314 9.399 345 HG3 GLU 43 3HG GLU 43 0.205 -4.243 10.762 346 H ILE 44 H ILE 44 0.503 -1.904 5.428 347 HA ILE 44 HA ILE 44 3.029 -0.383 5.718 348 HB ILE 44 HB ILE 44 1.315 -0.707 3.238 349 HG12 ILE 44 2HG1 ILE 44 4.007 -1.912 3.942 350 HG13 ILE 44 3HG1 ILE 44 2.487 -2.789 3.798 351 HG21 ILE 44 1HG2 ILE 44 3.983 0.666 3.615 352 HG22 ILE 44 2HG2 ILE 44 2.440 1.451 3.277 353 HG23 ILE 44 3HG2 ILE 44 3.179 0.406 2.066 354 HD11 ILE 44 3HD1 ILE 44 3.858 -3.127 1.840 355 HD12 ILE 44 1HD1 ILE 44 3.958 -1.386 1.574 356 HD13 ILE 44 2HD1 ILE 44 2.408 -2.217 1.411 357 H ARG 45 H ARG 45 2.658 1.533 6.746 358 HA ARG 45 HA ARG 45 0.118 2.933 6.180 359 HB2 ARG 45 2HB ARG 45 0.469 2.393 8.544 360 HB3 ARG 45 3HB ARG 45 1.996 3.267 8.533 361 HG2 ARG 45 2HG ARG 45 0.835 5.360 8.124 362 HG3 ARG 45 3HG ARG 45 -0.709 4.512 8.012 363 HD2 ARG 45 2HD ARG 45 -0.463 3.792 10.359 364 HD3 ARG 45 3HD ARG 45 1.059 4.675 10.461 365 HE ARG 45 HE ARG 45 -0.170 6.722 10.287 366 HH11 ARG 45 1HH1 ARG 45 -2.169 3.927 10.569 367 HH12 ARG 45 2HH1 ARG 45 -3.507 4.819 11.205 368 HH21 ARG 45 1HH2 ARG 45 -1.922 7.845 11.121 369 HH22 ARG 45 2HH2 ARG 45 -3.364 6.982 11.532 370 H ILE 46 H ILE 46 0.169 4.653 4.920 371 HA ILE 46 HA ILE 46 2.690 6.161 4.592 372 HB ILE 46 HB ILE 46 0.251 6.171 2.789 373 HG12 ILE 46 2HG1 ILE 46 2.927 4.783 2.438 374 HG13 ILE 46 3HG1 ILE 46 1.392 3.987 2.760 375 HG21 ILE 46 1HG2 ILE 46 3.008 7.339 2.362 376 HG22 ILE 46 2HG2 ILE 46 1.542 8.256 2.711 377 HG23 ILE 46 3HG2 ILE 46 1.682 7.359 1.199 378 HD11 ILE 46 3HD1 ILE 46 2.107 5.543 0.283 379 HD12 ILE 46 1HD1 ILE 46 0.541 4.797 0.606 380 HD13 ILE 46 2HD1 ILE 46 1.978 3.790 0.430 381 H THR 47 H THR 47 2.805 8.217 5.319 382 HA THR 47 HA THR 47 0.315 9.575 6.160 383 HB THR 47 HB THR 47 2.876 9.342 7.765 384 HG1 THR 47 HG1 THR 47 1.191 8.499 9.313 385 HG21 THR 47 3HG2 THR 47 0.386 10.954 8.350 386 HG22 THR 47 1HG2 THR 47 1.992 11.598 8.008 387 HG23 THR 47 2HG2 THR 47 1.705 10.677 9.485 388 H GLY 48 H GLY 48 0.126 11.595 5.400 389 HA2 GLY 48 2HA GLY 48 0.816 13.845 5.252 390 HA3 GLY 48 3HA GLY 48 2.487 13.324 5.305 391 H VAL 49 H VAL 49 0.129 11.987 3.035 392 HA VAL 49 HA VAL 49 1.550 13.389 0.857 393 HB VAL 49 HB VAL 49 0.822 11.580 -0.652 394 HG11 VAL 49 1HG1 VAL 49 2.301 10.588 1.789 395 HG12 VAL 49 2HG1 VAL 49 3.012 11.431 0.411 396 HG13 VAL 49 3HG1 VAL 49 2.312 9.826 0.197 397 HG21 VAL 49 3HG2 VAL 49 -0.155 9.520 0.233 398 HG22 VAL 49 1HG2 VAL 49 -1.218 10.898 0.517 399 HG23 VAL 49 2HG2 VAL 49 -0.249 10.246 1.838 400 HA PRO 50 HA PRO 50 -2.070 15.757 -0.062 401 HB2 PRO 50 2HB PRO 50 -1.793 15.973 -2.805 402 HB3 PRO 50 3HB PRO 50 -0.921 16.959 -1.628 403 HG2 PRO 50 2HG PRO 50 -0.016 14.490 -3.070 404 HG3 PRO 50 3HG PRO 50 0.875 15.994 -2.760 405 HD2 PRO 50 2HD PRO 50 1.310 13.807 -1.279 406 HD3 PRO 50 3HD PRO 50 1.305 15.421 -0.537 407 H GLU 51 H GLU 51 -4.180 15.304 -0.389 408 HA GLU 51 HA GLU 51 -4.986 12.665 -0.853 409 HB2 GLU 51 2HB GLU 51 -7.281 13.488 -0.759 410 HB3 GLU 51 3HB GLU 51 -6.299 14.218 0.503 411 HG2 GLU 51 2HG GLU 51 -6.108 16.263 -0.856 412 HG3 GLU 51 3HG GLU 51 -7.139 15.526 -2.083 413 H GLN 52 H GLN 52 -4.537 15.281 -3.124 414 HA GLN 52 HA GLN 52 -6.095 14.344 -5.259 415 HB2 GLN 52 2HB GLN 52 -4.667 15.686 -6.714 416 HB3 GLN 52 3HB GLN 52 -5.057 16.566 -5.244 417 HG2 GLN 52 2HG GLN 52 -2.855 16.095 -4.337 418 HG3 GLN 52 3HG GLN 52 -2.460 15.117 -5.750 419 HE21 GLN 52 1HE2 GLN 52 -1.078 17.461 -4.753 420 HE22 GLN 52 2HE2 GLN 52 -1.121 18.629 -6.021 421 H VAL 53 H VAL 53 -2.882 13.354 -4.182 422 HA VAL 53 HA VAL 53 -2.576 11.532 -6.449 423 HB VAL 53 HB VAL 53 -0.726 11.929 -4.080 424 HG11 VAL 53 1HG1 VAL 53 -0.393 9.785 -5.202 425 HG12 VAL 53 2HG1 VAL 53 0.966 10.864 -5.508 426 HG13 VAL 53 3HG1 VAL 53 -0.250 10.604 -6.757 427 HG21 VAL 53 3HG2 VAL 53 -0.615 13.183 -6.830 428 HG22 VAL 53 1HG2 VAL 53 0.633 13.317 -5.590 429 HG23 VAL 53 2HG2 VAL 53 -0.962 14.016 -5.314 430 H ARG 54 H ARG 54 -3.555 11.505 -3.131 431 HA ARG 54 HA ARG 54 -3.165 8.938 -2.250 432 HB2 ARG 54 2HB ARG 54 -4.206 10.823 -0.988 433 HB3 ARG 54 3HB ARG 54 -5.687 10.582 -1.894 434 HG2 ARG 54 2HG ARG 54 -4.506 8.392 -0.207 435 HG3 ARG 54 3HG ARG 54 -5.540 9.640 0.483 436 HD2 ARG 54 2HD ARG 54 -6.247 7.590 -1.608 437 HD3 ARG 54 3HD ARG 54 -6.926 7.769 0.006 438 HE ARG 54 HE ARG 54 -7.784 9.078 -2.353 439 HH11 ARG 54 1HH1 ARG 54 -7.417 9.627 1.037 440 HH12 ARG 54 2HH1 ARG 54 -8.699 10.783 1.089 441 HH21 ARG 54 1HH2 ARG 54 -9.443 10.542 -2.243 442 HH22 ARG 54 2HH2 ARG 54 -9.845 11.271 -0.726 443 H LYS 55 H LYS 55 -5.731 10.060 -4.433 444 HA LYS 55 HA LYS 55 -7.181 7.659 -4.624 445 HB2 LYS 55 2HB LYS 55 -8.050 8.603 -6.764 446 HB3 LYS 55 3HB LYS 55 -8.145 9.716 -5.406 447 HG2 LYS 55 2HG LYS 55 -6.056 10.802 -6.220 448 HG3 LYS 55 3HG LYS 55 -6.116 9.754 -7.639 449 HD2 LYS 55 2HD LYS 55 -8.286 11.700 -6.825 450 HD3 LYS 55 3HD LYS 55 -7.056 12.017 -8.047 451 HE2 LYS 55 2HE LYS 55 -7.890 10.112 -9.364 452 HE3 LYS 55 3HE LYS 55 -9.135 9.824 -8.149 453 HZ1 LYS 55 3HZ LYS 55 -9.941 11.092 -10.073 454 HZ2 LYS 55 1HZ LYS 55 -8.853 12.334 -9.708 455 HZ3 LYS 55 2HZ LYS 55 -10.096 11.952 -8.629 456 H GLU 56 H GLU 56 -4.448 8.847 -6.562 457 HA GLU 56 HA GLU 56 -4.377 6.688 -8.396 458 HB2 GLU 56 2HB GLU 56 -2.130 8.511 -7.495 459 HB3 GLU 56 3HB GLU 56 -2.088 7.471 -8.912 460 HG2 GLU 56 2HG GLU 56 -3.946 9.808 -8.476 461 HG3 GLU 56 3HG GLU 56 -2.531 9.780 -9.528 462 H LEU 57 H LEU 57 -2.613 7.307 -5.373 463 HA LEU 57 HA LEU 57 -1.040 4.998 -5.287 464 HB2 LEU 57 2HB LEU 57 -2.305 6.505 -2.986 465 HB3 LEU 57 3HB LEU 57 -0.999 5.342 -2.831 466 HG LEU 57 HG LEU 57 -0.837 7.971 -4.319 467 HD11 LEU 57 1HD1 LEU 57 -0.974 8.327 -1.927 468 HD12 LEU 57 2HD1 LEU 57 0.662 8.654 -2.496 469 HD13 LEU 57 3HD1 LEU 57 0.309 7.148 -1.652 470 HD21 LEU 57 3HD2 LEU 57 1.569 7.498 -4.457 471 HD22 LEU 57 1HD2 LEU 57 0.608 6.295 -5.319 472 HD23 LEU 57 2HD2 LEU 57 1.294 5.909 -3.740 473 H ALA 58 H ALA 58 -4.347 5.527 -4.121 474 HA ALA 58 HA ALA 58 -4.724 2.987 -2.947 475 HB1 ALA 58 3HB ALA 58 -6.144 4.958 -2.501 476 HB2 ALA 58 1HB ALA 58 -7.082 3.527 -2.933 477 HB3 ALA 58 2HB ALA 58 -6.827 4.809 -4.120 478 H LYS 59 H LYS 59 -5.510 4.194 -6.212 479 HA LYS 59 HA LYS 59 -6.729 1.754 -7.038 480 HB2 LYS 59 2HB LYS 59 -7.286 3.939 -8.036 481 HB3 LYS 59 3HB LYS 59 -5.681 4.014 -8.753 482 HG2 LYS 59 2HG LYS 59 -6.135 2.221 -10.221 483 HG3 LYS 59 3HG LYS 59 -7.580 1.749 -9.324 484 HD2 LYS 59 2HD LYS 59 -7.232 4.292 -10.924 485 HD3 LYS 59 3HD LYS 59 -8.167 2.878 -11.415 486 HE2 LYS 59 2HE LYS 59 -8.722 4.708 -9.075 487 HE3 LYS 59 3HE LYS 59 -9.674 4.547 -10.547 488 HZ1 LYS 59 3HZ LYS 59 -10.168 2.247 -9.905 489 HZ2 LYS 59 1HZ LYS 59 -10.707 3.352 -8.744 490 HZ3 LYS 59 2HZ LYS 59 -9.302 2.452 -8.467 491 H GLU 60 H GLU 60 -3.438 3.036 -7.366 492 HA GLU 60 HA GLU 60 -2.462 0.981 -9.050 493 HB2 GLU 60 2HB GLU 60 -1.191 3.040 -8.655 494 HB3 GLU 60 3HB GLU 60 -0.982 2.613 -6.963 495 HG2 GLU 60 2HG GLU 60 0.471 0.821 -7.491 496 HG3 GLU 60 3HG GLU 60 0.047 0.881 -9.201 497 H ALA 61 H ALA 61 -2.810 1.238 -5.541 498 HA ALA 61 HA ALA 61 -1.718 -1.266 -4.838 499 HB1 ALA 61 3HB ALA 61 -2.196 0.476 -3.184 500 HB2 ALA 61 1HB ALA 61 -2.988 -1.041 -2.757 501 HB3 ALA 61 2HB ALA 61 -3.927 0.275 -3.463 502 H GLU 62 H GLU 62 -5.004 -0.333 -5.836 503 HA GLU 62 HA GLU 62 -6.274 -2.804 -5.508 504 HB2 GLU 62 2HB GLU 62 -6.774 -0.750 -7.682 505 HB3 GLU 62 3HB GLU 62 -7.866 -2.057 -7.244 506 HG2 GLU 62 2HG GLU 62 -8.009 -1.055 -4.950 507 HG3 GLU 62 3HG GLU 62 -7.094 0.322 -5.562 508 H ARG 63 H ARG 63 -4.349 -1.586 -8.249 509 HA ARG 63 HA ARG 63 -4.669 -3.818 -9.934 510 HB2 ARG 63 2HB ARG 63 -3.662 -1.756 -10.769 511 HB3 ARG 63 3HB ARG 63 -2.290 -1.959 -9.685 512 HG2 ARG 63 2HG ARG 63 -1.707 -4.059 -10.862 513 HG3 ARG 63 3HG ARG 63 -3.030 -3.765 -11.989 514 HD2 ARG 63 2HD ARG 63 -1.967 -1.713 -12.743 515 HD3 ARG 63 3HD ARG 63 -0.677 -1.922 -11.556 516 HE ARG 63 HE ARG 63 -0.729 -4.219 -13.115 517 HH11 ARG 63 1HH1 ARG 63 -0.117 -0.850 -13.575 518 HH12 ARG 63 2HH1 ARG 63 0.976 -1.125 -14.882 519 HH21 ARG 63 1HH2 ARG 63 0.702 -4.534 -14.792 520 HH22 ARG 63 2HH2 ARG 63 1.443 -3.173 -15.554 521 H LEU 64 H LEU 64 -2.227 -3.155 -7.421 522 HA LEU 64 HA LEU 64 -0.598 -5.370 -7.672 523 HB2 LEU 64 2HB LEU 64 -1.551 -4.101 -5.095 524 HB3 LEU 64 3HB LEU 64 -0.149 -5.146 -5.250 525 HG LEU 64 HG LEU 64 -0.439 -2.457 -6.615 526 HD11 LEU 64 1HD1 LEU 64 1.146 -3.201 -4.149 527 HD12 LEU 64 2HD1 LEU 64 -0.302 -2.194 -4.188 528 HD13 LEU 64 3HD1 LEU 64 1.176 -1.640 -4.971 529 HD21 LEU 64 3HD2 LEU 64 1.955 -2.697 -7.063 530 HD22 LEU 64 1HD2 LEU 64 1.030 -3.997 -7.813 531 HD23 LEU 64 2HD2 LEU 64 1.936 -4.301 -6.329 532 H ALA 65 H ALA 65 -3.724 -5.156 -6.013 533 HA ALA 65 HA ALA 65 -3.804 -7.809 -5.033 534 HB1 ALA 65 3HB ALA 65 -6.099 -5.984 -5.749 535 HB2 ALA 65 1HB ALA 65 -5.265 -6.038 -4.197 536 HB3 ALA 65 2HB ALA 65 -6.198 -7.428 -4.743 537 H LYS 66 H LYS 66 -5.402 -6.385 -7.895 538 HA LYS 66 HA LYS 66 -6.477 -8.825 -8.838 539 HB2 LYS 66 2HB LYS 66 -5.905 -6.284 -10.384 540 HB3 LYS 66 3HB LYS 66 -6.978 -7.582 -10.895 541 HG2 LYS 66 2HG LYS 66 -8.455 -7.133 -9.008 542 HG3 LYS 66 3HG LYS 66 -7.361 -5.873 -8.436 543 HD2 LYS 66 2HD LYS 66 -9.230 -4.868 -9.608 544 HD3 LYS 66 3HD LYS 66 -7.747 -4.618 -10.531 545 HE2 LYS 66 2HE LYS 66 -8.355 -6.501 -11.993 546 HE3 LYS 66 3HE LYS 66 -9.842 -6.730 -11.072 547 HZ1 LYS 66 3HZ LYS 66 -9.101 -4.361 -12.697 548 HZ2 LYS 66 1HZ LYS 66 -10.471 -4.438 -11.703 549 HZ3 LYS 66 2HZ LYS 66 -10.321 -5.478 -13.031 550 H GLU 67 H GLU 67 -3.343 -7.408 -9.201 551 HA GLU 67 HA GLU 67 -2.591 -8.945 -11.534 552 HB2 GLU 67 2HB GLU 67 -1.660 -6.699 -11.130 553 HB3 GLU 67 3HB GLU 67 -0.916 -7.272 -9.645 554 HG2 GLU 67 2HG GLU 67 0.755 -7.143 -11.353 555 HG3 GLU 67 3HG GLU 67 0.458 -8.842 -10.983 556 H PHE 68 H PHE 68 -1.531 -8.895 -8.113 557 HA PHE 68 HA PHE 68 -0.137 -11.443 -8.514 558 HB2 PHE 68 2HB PHE 68 -0.147 -9.623 -6.089 559 HB3 PHE 68 3HB PHE 68 0.935 -10.986 -6.373 560 HD1 PHE 68 HD1 PHE 68 2.435 -10.863 -8.477 561 HD2 PHE 68 HD2 PHE 68 0.485 -7.481 -6.766 562 HE1 PHE 68 HE1 PHE 68 4.012 -9.369 -9.629 563 HE2 PHE 68 HE2 PHE 68 2.061 -5.987 -7.919 564 HZ PHE 68 HZ PHE 68 3.824 -6.931 -9.354 565 H ASN 69 H ASN 69 -3.200 -10.687 -7.807 566 HA ASN 69 HA ASN 69 -4.966 -11.762 -6.877 567 HB2 ASN 69 2HB ASN 69 -2.995 -14.053 -6.786 568 HB3 ASN 69 3HB ASN 69 -4.706 -14.216 -6.395 569 HD21 ASN 69 1HD2 ASN 69 -2.404 -13.612 -8.930 570 HD22 ASN 69 2HD2 ASN 69 -3.493 -13.881 -10.241 571 H ILE 70 H ILE 70 -2.874 -10.408 -5.150 572 HA ILE 70 HA ILE 70 -3.232 -11.735 -2.575 573 HB ILE 70 HB ILE 70 -1.806 -9.910 -1.680 574 HG12 ILE 70 2HG1 ILE 70 -1.705 -9.001 -4.577 575 HG13 ILE 70 3HG1 ILE 70 -2.427 -8.117 -3.237 576 HG21 ILE 70 1HG2 ILE 70 0.268 -10.638 -2.761 577 HG22 ILE 70 2HG2 ILE 70 -0.661 -11.323 -4.095 578 HG23 ILE 70 3HG2 ILE 70 -0.814 -12.002 -2.473 579 HD11 ILE 70 3HD1 ILE 70 -0.269 -7.199 -3.835 580 HD12 ILE 70 1HD1 ILE 70 0.496 -8.762 -3.559 581 HD13 ILE 70 2HD1 ILE 70 -0.222 -7.880 -2.211 582 H THR 71 H THR 71 -4.194 -10.688 -0.748 583 HA THR 71 HA THR 71 -6.475 -9.009 -1.452 584 HB THR 71 HB THR 71 -5.718 -10.132 1.264 585 HG1 THR 71 HG1 THR 71 -6.190 -11.718 -0.463 586 HG21 THR 71 3HG2 THR 71 -7.264 -8.242 1.422 587 HG22 THR 71 1HG2 THR 71 -8.090 -9.749 1.821 588 HG23 THR 71 2HG2 THR 71 -8.334 -9.000 0.244 589 H VAL 72 H VAL 72 -6.429 -6.836 -1.296 590 HA VAL 72 HA VAL 72 -4.601 -5.604 0.673 591 HB VAL 72 HB VAL 72 -3.794 -5.255 -1.651 592 HG11 VAL 72 1HG1 VAL 72 -6.299 -3.613 -2.035 593 HG12 VAL 72 2HG1 VAL 72 -6.019 -5.200 -2.746 594 HG13 VAL 72 3HG1 VAL 72 -4.992 -3.839 -3.199 595 HG21 VAL 72 3HG2 VAL 72 -3.462 -2.828 -1.456 596 HG22 VAL 72 1HG2 VAL 72 -3.241 -3.645 0.090 597 HG23 VAL 72 2HG2 VAL 72 -4.729 -2.755 -0.231 598 H THR 73 H THR 73 -5.458 -4.165 2.040 599 HA THR 73 HA THR 73 -7.964 -2.790 1.371 600 HB THR 73 HB THR 73 -8.859 -3.194 3.686 601 HG1 THR 73 HG1 THR 73 -6.601 -4.896 3.779 602 HG21 THR 73 3HG2 THR 73 -9.759 -4.450 1.795 603 HG22 THR 73 1HG2 THR 73 -9.709 -5.456 3.242 604 HG23 THR 73 2HG2 THR 73 -8.494 -5.666 1.981 605 H TYR 74 H TYR 74 -8.166 -0.754 2.298 606 HA TYR 74 HA TYR 74 -6.002 0.130 4.064 607 HB2 TYR 74 2HB TYR 74 -5.848 2.249 2.609 608 HB3 TYR 74 3HB TYR 74 -5.069 0.783 2.030 609 HD1 TYR 74 HD1 TYR 74 -7.989 3.015 1.558 610 HD2 TYR 74 HD2 TYR 74 -5.757 -0.259 -0.006 611 HE1 TYR 74 HE1 TYR 74 -9.198 3.212 -0.574 612 HE2 TYR 74 HE2 TYR 74 -6.962 -0.070 -2.138 613 HH TYR 74 HH TYR 74 -9.019 0.808 -3.025 614 H THR 75 H THR 75 -6.656 1.318 5.700 615 HA THR 75 HA THR 75 -9.297 2.641 5.605 616 HB THR 75 HB THR 75 -7.542 2.071 8.021 617 HG1 THR 75 HG1 THR 75 -9.394 0.554 6.652 618 HG21 THR 75 3HG2 THR 75 -8.995 4.009 8.371 619 HG22 THR 75 1HG2 THR 75 -9.559 2.638 9.326 620 HG23 THR 75 2HG2 THR 75 -10.391 3.076 7.836 621 H ILE 76 H ILE 76 -9.418 4.845 5.503 622 HA ILE 76 HA ILE 76 -6.859 6.326 5.696 623 HB ILE 76 HB ILE 76 -9.025 6.789 3.635 624 HG12 ILE 76 2HG1 ILE 76 -6.332 5.416 3.371 625 HG13 ILE 76 3HG1 ILE 76 -7.909 4.645 3.242 626 HG21 ILE 76 1HG2 ILE 76 -7.366 8.251 2.560 627 HG22 ILE 76 2HG2 ILE 76 -6.253 7.962 3.901 628 HG23 ILE 76 3HG2 ILE 76 -7.775 8.809 4.184 629 HD11 ILE 76 3HD1 ILE 76 -6.754 6.688 1.364 630 HD12 ILE 76 1HD1 ILE 76 -8.373 5.998 1.245 631 HD13 ILE 76 2HD1 ILE 76 -6.957 4.963 1.063 632 H ARG 77 H ARG 77 -6.860 8.283 6.660 633 HA ARG 77 HA ARG 77 -9.373 9.728 7.084 634 HB2 ARG 77 2HB ARG 77 -8.905 10.148 9.433 635 HB3 ARG 77 3HB ARG 77 -9.004 8.416 9.146 636 HG2 ARG 77 2HG ARG 77 -6.580 8.236 9.194 637 HG3 ARG 77 3HG ARG 77 -6.437 9.986 9.393 638 HD2 ARG 77 2HD ARG 77 -7.800 8.110 11.336 639 HD3 ARG 77 3HD ARG 77 -6.174 8.763 11.522 640 HE ARG 77 HE ARG 77 -7.279 11.006 11.584 641 HH11 ARG 77 1HH1 ARG 77 -9.069 8.190 12.428 642 HH12 ARG 77 2HH1 ARG 77 -10.112 9.041 13.508 643 HH21 ARG 77 1HH2 ARG 77 -8.640 12.094 12.975 644 HH22 ARG 77 2HH2 ARG 77 -9.876 11.224 13.809 645 H LEU 78 H LEU 78 -8.835 11.976 8.094 646 HA LEU 78 HA LEU 78 -6.184 12.969 7.562 647 HB2 LEU 78 2HB LEU 78 -6.998 14.739 5.950 648 HB3 LEU 78 3HB LEU 78 -6.867 13.109 5.323 649 HG LEU 78 HG LEU 78 -9.388 12.902 5.721 650 HD11 LEU 78 1HD1 LEU 78 -9.164 15.903 5.944 651 HD12 LEU 78 2HD1 LEU 78 -9.703 14.797 7.207 652 HD13 LEU 78 3HD1 LEU 78 -10.662 14.994 5.742 653 HD21 LEU 78 3HD2 LEU 78 -8.383 13.140 3.508 654 HD22 LEU 78 1HD2 LEU 78 -8.406 14.896 3.677 655 HD23 LEU 78 2HD2 LEU 78 -9.921 13.995 3.609 656 H GLU 79 H GLU 79 -6.030 15.361 7.977 657 HA GLU 79 HA GLU 79 -7.402 15.983 10.416 658 HB2 GLU 79 2HB GLU 79 -6.081 18.124 10.317 659 HB3 GLU 79 3HB GLU 79 -5.120 16.655 10.313 660 HG2 GLU 79 2HG GLU 79 -5.812 18.073 7.754 661 HG3 GLU 79 3HG GLU 79 -4.445 18.576 8.742 662 H HIS 80 H HIS 80 -9.580 16.096 9.802 663 HA HIS 80 HA HIS 80 -10.637 17.566 7.682 664 HB2 HIS 80 2HB HIS 80 -11.821 15.824 9.087 665 HB3 HIS 80 3HB HIS 80 -12.054 17.068 10.309 666 HD1 HIS 80 HD1 HIS 80 -14.583 17.192 10.129 667 HD2 HIS 80 HD2 HIS 80 -12.686 17.728 6.474 668 HE1 HIS 80 HE1 HIS 80 -16.375 17.942 8.550 669 HE2 HIS 80 HE2 HIS 80 -15.250 18.012 6.306 670 H HIS 81 H HIS 81 -10.298 19.634 7.330 671 HA HIS 81 HA HIS 81 -9.252 21.476 9.094 672 HB2 HIS 81 2HB HIS 81 -9.255 21.513 6.572 673 HB3 HIS 81 3HB HIS 81 -10.889 22.155 6.649 674 HD1 HIS 81 HD1 HIS 81 -10.779 24.559 6.101 675 HD2 HIS 81 HD2 HIS 81 -7.566 23.381 8.469 676 HE1 HIS 81 HE1 HIS 81 -9.440 26.646 6.514 677 HE2 HIS 81 HE2 HIS 81 -7.497 25.914 7.932 678 H HIS 82 H HIS 82 -10.136 22.275 10.900 679 HA HIS 82 HA HIS 82 -12.934 23.241 10.848 680 HB2 HIS 82 2HB HIS 82 -11.152 22.478 13.178 681 HB3 HIS 82 3HB HIS 82 -12.723 23.246 13.363 682 HD1 HIS 82 HD1 HIS 82 -12.165 20.472 14.570 683 HD2 HIS 82 HD2 HIS 82 -13.895 21.092 10.844 684 HE1 HIS 82 HE1 HIS 82 -13.482 18.396 14.087 685 HE2 HIS 82 HE2 HIS 82 -14.702 18.900 11.949 686 H HIS 83 H HIS 83 -13.075 25.156 12.682 687 HA HIS 83 HA HIS 83 -10.787 26.869 12.821 688 HB2 HIS 83 2HB HIS 83 -11.539 28.730 11.494 689 HB3 HIS 83 3HB HIS 83 -11.525 27.295 10.474 690 HD1 HIS 83 HD1 HIS 83 -13.480 30.152 10.960 691 HD2 HIS 83 HD2 HIS 83 -14.394 26.111 10.586 692 HE1 HIS 83 HE1 HIS 83 -15.887 30.065 10.250 693 HE2 HIS 83 HE2 HIS 83 -16.344 27.629 9.833 694 H HIS 84 H HIS 84 -10.927 28.288 14.468 695 HA HIS 84 HA HIS 84 -13.287 28.343 16.125 696 HB2 HIS 84 2HB HIS 84 -11.167 28.370 17.249 697 HB3 HIS 84 3HB HIS 84 -10.603 29.738 16.299 698 HD1 HIS 84 HD1 HIS 84 -11.000 32.015 17.251 699 HD2 HIS 84 HD2 HIS 84 -13.235 29.092 19.185 700 HE1 HIS 84 HE1 HIS 84 -12.066 33.172 19.203 701 HE2 HIS 84 HE2 HIS 84 -13.298 31.359 20.436 702 H HIS 85 H HIS 85 -14.668 30.103 16.506 703 HA HIS 85 HA HIS 85 -15.066 31.904 14.323 704 HB2 HIS 85 2HB HIS 85 -16.384 31.702 17.035 705 HB3 HIS 85 3HB HIS 85 -16.878 32.859 15.803 706 HD1 HIS 85 HD1 HIS 85 -17.606 29.535 16.980 707 HD2 HIS 85 HD2 HIS 85 -17.657 31.453 13.293 708 HE1 HIS 85 HE1 HIS 85 -19.067 28.127 15.510 709 HE2 HIS 85 HE2 HIS 85 -19.304 29.465 13.398 Start of MODEL 7 1 H1 MET 1 1H MET 1 -1.016 14.026 6.991 2 H2 MET 1 2H MET 1 -2.012 15.172 6.250 3 H3 MET 1 3H MET 1 -0.883 14.315 5.331 4 HA MET 1 HA MET 1 -3.250 13.175 6.696 5 HB2 MET 1 2HB MET 1 -3.716 14.524 4.640 6 HB3 MET 1 3HB MET 1 -2.664 13.446 3.736 7 HG2 MET 1 2HG MET 1 -4.154 11.573 4.204 8 HG3 MET 1 3HG MET 1 -5.198 12.630 5.155 9 HE1 MET 1 3HE MET 1 -3.321 13.597 1.865 10 HE2 MET 1 1HE MET 1 -4.512 13.194 0.629 11 HE3 MET 1 2HE MET 1 -3.745 11.911 1.566 12 H GLU 2 H GLU 2 -3.467 10.927 6.615 13 HA GLU 2 HA GLU 2 -1.066 9.417 5.766 14 HB2 GLU 2 2HB GLU 2 -2.703 9.079 8.289 15 HB3 GLU 2 3HB GLU 2 -1.433 7.976 7.772 16 HG2 GLU 2 2HG GLU 2 0.253 9.576 8.120 17 HG3 GLU 2 3HG GLU 2 -0.908 10.900 8.206 18 H MET 3 H MET 3 -1.369 7.252 5.131 19 HA MET 3 HA MET 3 -4.067 6.141 5.050 20 HB2 MET 3 2HB MET 3 -3.843 5.557 2.625 21 HB3 MET 3 3HB MET 3 -4.027 7.275 2.940 22 HG2 MET 3 2HG MET 3 -1.587 7.554 2.673 23 HG3 MET 3 3HG MET 3 -1.461 5.844 2.266 24 HE1 MET 3 3HE MET 3 -2.604 4.756 0.110 25 HE2 MET 3 1HE MET 3 -3.534 5.678 -1.071 26 HE3 MET 3 2HE MET 3 -4.167 5.442 0.556 27 H ASP 4 H ASP 4 -3.803 4.217 6.036 28 HA ASP 4 HA ASP 4 -1.321 2.718 5.587 29 HB2 ASP 4 2HB ASP 4 -2.148 1.309 7.534 30 HB3 ASP 4 3HB ASP 4 -1.712 2.972 7.898 31 H ILE 5 H ILE 5 -1.261 1.095 4.213 32 HA ILE 5 HA ILE 5 -3.777 -0.181 3.340 33 HB ILE 5 HB ILE 5 -1.169 0.050 1.815 34 HG12 ILE 5 2HG1 ILE 5 -3.768 1.579 1.454 35 HG13 ILE 5 3HG1 ILE 5 -2.283 2.244 2.126 36 HG21 ILE 5 1HG2 ILE 5 -3.897 -0.935 0.963 37 HG22 ILE 5 2HG2 ILE 5 -2.451 -1.920 1.190 38 HG23 ILE 5 3HG2 ILE 5 -2.508 -0.723 -0.105 39 HD11 ILE 5 3HD1 ILE 5 -1.160 1.899 -0.008 40 HD12 ILE 5 1HD1 ILE 5 -2.594 2.911 -0.185 41 HD13 ILE 5 2HD1 ILE 5 -2.642 1.220 -0.683 42 H ARG 6 H ARG 6 -4.037 -2.202 4.109 43 HA ARG 6 HA ARG 6 -1.675 -3.778 4.873 44 HB2 ARG 6 2HB ARG 6 -3.446 -3.286 6.569 45 HB3 ARG 6 3HB ARG 6 -4.581 -4.216 5.609 46 HG2 ARG 6 2HG ARG 6 -2.044 -5.458 6.631 47 HG3 ARG 6 3HG ARG 6 -3.467 -5.315 7.660 48 HD2 ARG 6 2HD ARG 6 -3.268 -6.790 5.031 49 HD3 ARG 6 3HD ARG 6 -3.418 -7.503 6.635 50 HE ARG 6 HE ARG 6 -5.552 -5.779 5.573 51 HH11 ARG 6 1HH1 ARG 6 -4.512 -8.843 6.762 52 HH12 ARG 6 2HH1 ARG 6 -6.121 -9.473 6.842 53 HH21 ARG 6 1HH2 ARG 6 -7.591 -6.594 5.677 54 HH22 ARG 6 2HH2 ARG 6 -7.849 -8.210 6.238 55 H PHE 7 H PHE 7 -0.978 -5.136 3.339 56 HA PHE 7 HA PHE 7 -2.828 -6.415 1.480 57 HB2 PHE 7 2HB PHE 7 0.192 -6.517 1.677 58 HB3 PHE 7 3HB PHE 7 -0.755 -7.312 0.424 59 HD1 PHE 7 HD1 PHE 7 -1.820 -6.030 -1.340 60 HD2 PHE 7 HD2 PHE 7 0.479 -4.105 1.689 61 HE1 PHE 7 HE1 PHE 7 -1.744 -3.986 -2.702 62 HE2 PHE 7 HE2 PHE 7 0.554 -2.057 0.328 63 HZ PHE 7 HZ PHE 7 -0.558 -1.995 -1.869 64 H ARG 8 H ARG 8 -2.876 -8.722 1.155 65 HA ARG 8 HA ARG 8 -1.766 -10.389 3.306 66 HB2 ARG 8 2HB ARG 8 -4.082 -9.910 3.970 67 HB3 ARG 8 3HB ARG 8 -4.660 -10.477 2.407 68 HG2 ARG 8 2HG ARG 8 -3.707 -12.725 2.947 69 HG3 ARG 8 3HG ARG 8 -3.334 -12.121 4.561 70 HD2 ARG 8 2HD ARG 8 -5.706 -11.704 4.967 71 HD3 ARG 8 3HD ARG 8 -6.094 -12.248 3.334 72 HE ARG 8 HE ARG 8 -4.674 -14.189 4.927 73 HH11 ARG 8 1HH1 ARG 8 -7.795 -12.997 4.051 74 HH12 ARG 8 2HH1 ARG 8 -8.574 -14.491 4.446 75 HH21 ARG 8 1HH2 ARG 8 -5.699 -16.069 5.413 76 HH22 ARG 8 2HH2 ARG 8 -7.409 -16.199 5.193 77 H GLY 9 H GLY 9 -0.649 -12.024 2.422 78 HA2 GLY 9 2HA GLY 9 -1.717 -13.702 0.369 79 HA3 GLY 9 3HA GLY 9 -0.480 -12.637 -0.278 80 H ASP 10 H ASP 10 -0.214 -15.410 -0.336 81 HA ASP 10 HA ASP 10 1.568 -16.189 1.826 82 HB2 ASP 10 2HB ASP 10 0.865 -17.679 -0.716 83 HB3 ASP 10 3HB ASP 10 1.681 -18.349 0.692 84 H ASP 11 H ASP 11 1.794 -15.223 -1.543 85 HA ASP 11 HA ASP 11 4.421 -16.048 -2.080 86 HB2 ASP 11 2HB ASP 11 2.972 -13.671 -3.266 87 HB3 ASP 11 3HB ASP 11 4.319 -14.549 -3.986 88 H LEU 12 H LEU 12 6.280 -15.387 -1.200 89 HA LEU 12 HA LEU 12 6.560 -13.147 0.483 90 HB2 LEU 12 2HB LEU 12 8.054 -15.099 0.556 91 HB3 LEU 12 3HB LEU 12 8.700 -14.669 -1.017 92 HG LEU 12 HG LEU 12 9.606 -12.571 -0.058 93 HD11 LEU 12 1HD1 LEU 12 8.634 -13.686 2.574 94 HD12 LEU 12 2HD1 LEU 12 8.014 -12.252 1.757 95 HD13 LEU 12 3HD1 LEU 12 9.666 -12.270 2.369 96 HD21 LEU 12 3HD2 LEU 12 11.408 -13.606 1.243 97 HD22 LEU 12 1HD2 LEU 12 11.029 -14.542 -0.202 98 HD23 LEU 12 2HD2 LEU 12 10.460 -15.088 1.376 99 H GLU 13 H GLU 13 7.295 -13.601 -2.949 100 HA GLU 13 HA GLU 13 8.482 -11.108 -3.448 101 HB2 GLU 13 2HB GLU 13 6.928 -12.942 -5.280 102 HB3 GLU 13 3HB GLU 13 7.746 -11.491 -5.837 103 HG2 GLU 13 2HG GLU 13 9.166 -13.331 -6.301 104 HG3 GLU 13 3HG GLU 13 9.884 -12.439 -4.963 105 H ALA 14 H ALA 14 5.119 -11.988 -3.088 106 HA ALA 14 HA ALA 14 3.890 -9.788 -4.316 107 HB1 ALA 14 3HB ALA 14 2.653 -11.759 -3.537 108 HB2 ALA 14 1HB ALA 14 1.964 -10.267 -2.899 109 HB3 ALA 14 2HB ALA 14 2.959 -11.292 -1.865 110 H PHE 15 H PHE 15 5.256 -10.155 -1.070 111 HA PHE 15 HA PHE 15 4.351 -7.664 -0.045 112 HB2 PHE 15 2HB PHE 15 6.725 -9.331 0.826 113 HB3 PHE 15 3HB PHE 15 5.983 -8.034 1.758 114 HD1 PHE 15 HD1 PHE 15 3.399 -8.340 2.209 115 HD2 PHE 15 HD2 PHE 15 6.083 -11.509 1.263 116 HE1 PHE 15 HE1 PHE 15 1.856 -9.953 3.244 117 HE2 PHE 15 HE2 PHE 15 4.542 -13.125 2.293 118 HZ PHE 15 HZ PHE 15 2.430 -12.352 3.286 119 H GLU 16 H GLU 16 7.571 -8.652 -1.270 120 HA GLU 16 HA GLU 16 8.772 -6.120 -0.976 121 HB2 GLU 16 2HB GLU 16 10.524 -6.983 -2.516 122 HB3 GLU 16 3HB GLU 16 10.154 -8.073 -1.189 123 HG2 GLU 16 2HG GLU 16 8.804 -9.453 -2.679 124 HG3 GLU 16 3HG GLU 16 9.128 -8.344 -4.011 125 H LYS 17 H LYS 17 7.172 -7.587 -3.808 126 HA LYS 17 HA LYS 17 7.711 -5.461 -5.595 127 HB2 LYS 17 2HB LYS 17 5.531 -7.553 -5.584 128 HB3 LYS 17 3HB LYS 17 5.758 -6.408 -6.899 129 HG2 LYS 17 2HG LYS 17 7.850 -8.366 -5.963 130 HG3 LYS 17 3HG LYS 17 6.756 -8.644 -7.315 131 HD2 LYS 17 2HD LYS 17 8.589 -6.252 -7.197 132 HD3 LYS 17 3HD LYS 17 9.105 -7.800 -7.862 133 HE2 LYS 17 2HE LYS 17 8.379 -6.366 -9.663 134 HE3 LYS 17 3HE LYS 17 7.237 -7.692 -9.483 135 HZ1 LYS 17 3HZ LYS 17 6.151 -5.546 -9.835 136 HZ2 LYS 17 1HZ LYS 17 6.841 -4.951 -8.411 137 HZ3 LYS 17 2HZ LYS 17 5.728 -6.219 -8.347 138 H ALA 18 H ALA 18 4.937 -6.090 -3.450 139 HA ALA 18 HA ALA 18 3.362 -3.893 -4.248 140 HB1 ALA 18 3HB ALA 18 2.133 -4.220 -2.184 141 HB2 ALA 18 1HB ALA 18 3.445 -5.201 -1.524 142 HB3 ALA 18 2HB ALA 18 2.517 -5.780 -2.907 143 H LEU 19 H LEU 19 5.704 -4.199 -1.596 144 HA LEU 19 HA LEU 19 5.505 -1.568 -0.621 145 HB2 LEU 19 2HB LEU 19 6.581 -3.469 0.559 146 HB3 LEU 19 3HB LEU 19 7.905 -3.406 -0.588 147 HG LEU 19 HG LEU 19 8.452 -1.112 0.214 148 HD11 LEU 19 1HD1 LEU 19 6.342 -1.670 2.302 149 HD12 LEU 19 2HD1 LEU 19 6.243 -0.461 1.020 150 HD13 LEU 19 3HD1 LEU 19 7.453 -0.299 2.292 151 HD21 LEU 19 3HD2 LEU 19 8.389 -3.244 2.352 152 HD22 LEU 19 1HD2 LEU 19 9.413 -1.806 2.361 153 HD23 LEU 19 2HD2 LEU 19 9.635 -3.040 1.121 154 H LYS 20 H LYS 20 7.643 -2.988 -3.075 155 HA LYS 20 HA LYS 20 9.297 -0.766 -3.523 156 HB2 LYS 20 2HB LYS 20 9.670 -3.144 -4.296 157 HB3 LYS 20 3HB LYS 20 8.505 -2.846 -5.575 158 HG2 LYS 20 2HG LYS 20 10.766 -2.634 -6.413 159 HG3 LYS 20 3HG LYS 20 9.945 -1.071 -6.471 160 HD2 LYS 20 2HD LYS 20 11.113 -0.311 -4.515 161 HD3 LYS 20 3HD LYS 20 11.781 -1.919 -4.224 162 HE2 LYS 20 2HE LYS 20 12.378 -0.231 -6.659 163 HE3 LYS 20 3HE LYS 20 13.405 -0.316 -5.228 164 HZ1 LYS 20 3HZ LYS 20 14.185 -1.797 -6.965 165 HZ2 LYS 20 1HZ LYS 20 12.697 -2.601 -6.991 166 HZ3 LYS 20 2HZ LYS 20 13.682 -2.685 -5.618 167 H GLU 21 H GLU 21 6.346 -1.791 -5.264 168 HA GLU 21 HA GLU 21 6.243 0.273 -7.149 169 HB2 GLU 21 2HB GLU 21 4.019 -1.304 -5.845 170 HB3 GLU 21 3HB GLU 21 3.755 -0.192 -7.179 171 HG2 GLU 21 2HG GLU 21 5.593 -2.574 -7.319 172 HG3 GLU 21 3HG GLU 21 3.905 -2.597 -7.819 173 H MET 22 H MET 22 4.606 0.119 -3.963 174 HA MET 22 HA MET 22 3.325 2.609 -4.138 175 HB2 MET 22 2HB MET 22 4.244 1.154 -1.647 176 HB3 MET 22 3HB MET 22 3.077 2.468 -1.685 177 HG2 MET 22 2HG MET 22 2.761 -0.266 -2.902 178 HG3 MET 22 3HG MET 22 1.922 0.371 -1.490 179 HE1 MET 22 3HE MET 22 1.211 3.348 -2.404 180 HE2 MET 22 1HE MET 22 0.072 2.272 -1.596 181 HE3 MET 22 2HE MET 22 -0.398 3.101 -3.081 182 H ILE 23 H ILE 23 6.450 1.784 -2.609 183 HA ILE 23 HA ILE 23 6.999 4.404 -1.693 184 HB ILE 23 HB ILE 23 8.907 2.130 -2.282 185 HG12 ILE 23 2HG1 ILE 23 7.662 3.137 0.298 186 HG13 ILE 23 3HG1 ILE 23 7.287 1.623 -0.517 187 HG21 ILE 23 1HG2 ILE 23 10.119 4.245 -2.352 188 HG22 ILE 23 2HG2 ILE 23 10.537 3.354 -0.889 189 HG23 ILE 23 3HG2 ILE 23 9.423 4.719 -0.802 190 HD11 ILE 23 3HD1 ILE 23 8.723 1.284 1.417 191 HD12 ILE 23 1HD1 ILE 23 9.943 2.341 0.710 192 HD13 ILE 23 2HD1 ILE 23 9.537 0.813 -0.074 193 H ARG 24 H ARG 24 7.899 2.736 -4.720 194 HA ARG 24 HA ARG 24 9.739 4.535 -5.741 195 HB2 ARG 24 2HB ARG 24 9.125 2.340 -6.758 196 HB3 ARG 24 3HB ARG 24 7.645 3.072 -7.364 197 HG2 ARG 24 2HG ARG 24 9.049 4.697 -8.642 198 HG3 ARG 24 3HG ARG 24 10.473 3.789 -8.129 199 HD2 ARG 24 2HD ARG 24 9.766 3.112 -10.367 200 HD3 ARG 24 3HD ARG 24 9.589 1.780 -9.223 201 HE ARG 24 HE ARG 24 7.293 3.469 -9.959 202 HH11 ARG 24 1HH1 ARG 24 8.776 0.359 -9.791 203 HH12 ARG 24 2HH1 ARG 24 7.297 -0.477 -10.106 204 HH21 ARG 24 1HH2 ARG 24 5.412 2.383 -10.380 205 HH22 ARG 24 2HH2 ARG 24 5.409 0.652 -10.435 206 H GLN 25 H GLN 25 6.186 4.644 -6.184 207 HA GLN 25 HA GLN 25 6.219 7.178 -7.514 208 HB2 GLN 25 2HB GLN 25 4.020 5.557 -6.231 209 HB3 GLN 25 3HB GLN 25 3.714 7.171 -6.852 210 HG2 GLN 25 2HG GLN 25 3.049 5.617 -8.523 211 HG3 GLN 25 3HG GLN 25 4.526 6.396 -9.080 212 HE21 GLN 25 1HE2 GLN 25 3.089 3.435 -7.982 213 HE22 GLN 25 2HE2 GLN 25 4.420 2.410 -8.382 214 H ALA 26 H ALA 26 5.648 6.183 -4.151 215 HA ALA 26 HA ALA 26 4.771 8.638 -3.136 216 HB1 ALA 26 3HB ALA 26 5.303 7.735 -0.928 217 HB2 ALA 26 1HB ALA 26 6.245 6.445 -1.675 218 HB3 ALA 26 2HB ALA 26 4.503 6.532 -1.939 219 H ARG 27 H ARG 27 8.060 7.509 -3.708 220 HA ARG 27 HA ARG 27 9.464 9.307 -2.075 221 HB2 ARG 27 2HB ARG 27 10.293 8.086 -4.718 222 HB3 ARG 27 3HB ARG 27 11.381 8.955 -3.642 223 HG2 ARG 27 2HG ARG 27 10.895 7.282 -1.874 224 HG3 ARG 27 3HG ARG 27 9.925 6.385 -3.042 225 HD2 ARG 27 2HD ARG 27 12.099 5.380 -2.946 226 HD3 ARG 27 3HD ARG 27 11.943 6.211 -4.494 227 HE ARG 27 HE ARG 27 13.129 7.971 -2.674 228 HH11 ARG 27 1HH1 ARG 27 13.871 5.036 -4.323 229 HH12 ARG 27 2HH1 ARG 27 15.574 5.334 -4.290 230 HH21 ARG 27 1HH2 ARG 27 15.312 8.330 -2.648 231 HH22 ARG 27 2HH2 ARG 27 16.378 7.160 -3.352 232 H LYS 28 H LYS 28 7.925 9.827 -5.169 233 HA LYS 28 HA LYS 28 9.238 12.286 -5.801 234 HB2 LYS 28 2HB LYS 28 6.671 11.023 -6.773 235 HB3 LYS 28 3HB LYS 28 7.206 12.599 -7.338 236 HG2 LYS 28 2HG LYS 28 7.849 10.924 -8.938 237 HG3 LYS 28 3HG LYS 28 9.298 11.562 -8.162 238 HD2 LYS 28 2HD LYS 28 9.352 9.587 -6.685 239 HD3 LYS 28 3HD LYS 28 7.922 8.950 -7.500 240 HE2 LYS 28 2HE LYS 28 10.591 9.508 -8.803 241 HE3 LYS 28 3HE LYS 28 9.992 7.919 -8.334 242 HZ1 LYS 28 3HZ LYS 28 9.678 8.386 -10.700 243 HZ2 LYS 28 1HZ LYS 28 8.692 9.702 -10.318 244 HZ3 LYS 28 2HZ LYS 28 8.206 8.137 -9.912 245 H PHE 29 H PHE 29 6.911 11.484 -3.476 246 HA PHE 29 HA PHE 29 6.077 14.304 -3.191 247 HB2 PHE 29 2HB PHE 29 4.664 11.835 -2.140 248 HB3 PHE 29 3HB PHE 29 4.072 13.495 -2.071 249 HD1 PHE 29 HD1 PHE 29 3.533 14.683 -4.236 250 HD2 PHE 29 HD2 PHE 29 4.290 10.490 -4.050 251 HE1 PHE 29 HE1 PHE 29 2.480 14.394 -6.441 252 HE2 PHE 29 HE2 PHE 29 3.234 10.200 -6.253 253 HZ PHE 29 HZ PHE 29 2.333 12.154 -7.452 254 H ALA 30 H ALA 30 7.029 15.343 -1.554 255 HA ALA 30 HA ALA 30 8.867 14.203 0.183 256 HB1 ALA 30 3HB ALA 30 8.915 16.337 1.334 257 HB2 ALA 30 1HB ALA 30 7.379 16.794 0.595 258 HB3 ALA 30 2HB ALA 30 8.813 16.586 -0.409 259 H GLY 31 H GLY 31 7.920 12.387 1.183 260 HA2 GLY 31 2HA GLY 31 6.626 13.055 3.725 261 HA3 GLY 31 3HA GLY 31 5.787 11.921 2.675 262 H THR 32 H THR 32 5.977 10.290 4.284 263 HA THR 32 HA THR 32 8.512 8.838 4.152 264 HB THR 32 HB THR 32 7.270 9.651 6.797 265 HG1 THR 32 HG1 THR 32 8.731 11.171 6.534 266 HG21 THR 32 3HG2 THR 32 9.505 7.680 6.273 267 HG22 THR 32 1HG2 THR 32 7.915 7.302 6.938 268 HG23 THR 32 2HG2 THR 32 9.043 8.298 7.860 269 H VAL 33 H VAL 33 8.235 6.657 4.089 270 HA VAL 33 HA VAL 33 5.519 5.603 4.615 271 HB VAL 33 HB VAL 33 7.544 4.569 2.610 272 HG11 VAL 33 1HG1 VAL 33 5.716 3.114 1.835 273 HG12 VAL 33 2HG1 VAL 33 4.704 3.692 3.160 274 HG13 VAL 33 3HG1 VAL 33 6.170 2.773 3.505 275 HG21 VAL 33 3HG2 VAL 33 6.619 6.678 1.856 276 HG22 VAL 33 1HG2 VAL 33 4.980 6.111 2.181 277 HG23 VAL 33 2HG2 VAL 33 5.936 5.360 0.903 278 H THR 34 H THR 34 5.371 4.173 6.217 279 HA THR 34 HA THR 34 7.738 2.535 6.927 280 HB THR 34 HB THR 34 7.187 4.067 8.760 281 HG1 THR 34 HG1 THR 34 6.962 2.469 10.392 282 HG21 THR 34 3HG2 THR 34 5.058 3.901 9.965 283 HG22 THR 34 1HG2 THR 34 4.466 2.747 8.767 284 HG23 THR 34 2HG2 THR 34 4.807 4.411 8.296 285 H TYR 35 H TYR 35 7.252 0.310 7.675 286 HA TYR 35 HA TYR 35 4.682 -0.721 6.729 287 HB2 TYR 35 2HB TYR 35 5.843 -2.445 5.332 288 HB3 TYR 35 3HB TYR 35 5.986 -0.801 4.727 289 HD1 TYR 35 HD2 TYR 35 8.151 0.400 4.890 290 HD2 TYR 35 HD1 TYR 35 7.777 -3.677 6.056 291 HE1 TYR 35 HE2 TYR 35 10.594 0.156 4.806 292 HE2 TYR 35 HE1 TYR 35 10.220 -3.931 5.974 293 HH TYR 35 HH TYR 35 12.334 -1.299 5.805 294 H THR 36 H THR 36 4.003 -2.598 7.661 295 HA THR 36 HA THR 36 5.762 -3.830 9.690 296 HB THR 36 HB THR 36 2.735 -3.733 9.789 297 HG1 THR 36 HG1 THR 36 2.904 -1.793 10.585 298 HG21 THR 36 3HG2 THR 36 3.764 -5.550 11.060 299 HG22 THR 36 1HG2 THR 36 3.070 -4.343 12.144 300 HG23 THR 36 2HG2 THR 36 4.813 -4.393 11.879 301 H LEU 37 H LEU 37 6.264 -5.915 9.286 302 HA LEU 37 HA LEU 37 4.562 -7.481 7.459 303 HB2 LEU 37 2HB LEU 37 7.426 -7.745 8.334 304 HB3 LEU 37 3HB LEU 37 6.581 -9.124 7.662 305 HG LEU 37 HG LEU 37 7.931 -8.021 5.965 306 HD11 LEU 37 1HD1 LEU 37 4.980 -7.606 5.483 307 HD12 LEU 37 2HD1 LEU 37 5.859 -9.123 5.283 308 HD13 LEU 37 3HD1 LEU 37 6.232 -7.746 4.247 309 HD21 LEU 37 3HD2 LEU 37 6.207 -5.584 6.419 310 HD22 LEU 37 1HD2 LEU 37 7.468 -5.768 5.198 311 HD23 LEU 37 2HD2 LEU 37 7.894 -5.749 6.909 312 H ASP 38 H ASP 38 3.158 -8.906 8.298 313 HA ASP 38 HA ASP 38 3.912 -10.346 10.754 314 HB2 ASP 38 2HB ASP 38 2.327 -8.508 11.326 315 HB3 ASP 38 3HB ASP 38 1.144 -9.230 10.239 316 H GLY 39 H GLY 39 4.477 -12.098 9.380 317 HA2 GLY 39 2HA GLY 39 4.102 -14.120 8.357 318 HA3 GLY 39 3HA GLY 39 2.500 -14.063 9.069 319 H ASN 40 H ASN 40 0.753 -13.309 7.825 320 HA ASN 40 HA ASN 40 1.179 -13.484 4.929 321 HB2 ASN 40 2HB ASN 40 -1.443 -13.458 6.444 322 HB3 ASN 40 3HB ASN 40 -1.184 -13.937 4.768 323 HD21 ASN 40 1HD2 ASN 40 -0.898 -14.866 8.083 324 HD22 ASN 40 2HD2 ASN 40 -0.507 -16.526 7.795 325 H ASP 41 H ASP 41 0.697 -11.123 7.307 326 HA ASP 41 HA ASP 41 -0.785 -9.304 5.551 327 HB2 ASP 41 2HB ASP 41 -0.092 -9.072 8.490 328 HB3 ASP 41 3HB ASP 41 -1.089 -7.936 7.582 329 H LEU 42 H LEU 42 -0.108 -7.257 5.029 330 HA LEU 42 HA LEU 42 2.575 -6.368 5.834 331 HB2 LEU 42 2HB LEU 42 2.979 -7.329 3.691 332 HB3 LEU 42 3HB LEU 42 1.537 -6.599 3.009 333 HG LEU 42 HG LEU 42 2.596 -4.367 3.194 334 HD11 LEU 42 1HD1 LEU 42 4.981 -4.179 3.688 335 HD12 LEU 42 2HD1 LEU 42 5.041 -5.898 4.077 336 HD13 LEU 42 3HD1 LEU 42 4.086 -4.800 5.074 337 HD21 LEU 42 3HD2 LEU 42 4.213 -6.413 1.672 338 HD22 LEU 42 1HD2 LEU 42 4.230 -4.672 1.387 339 HD23 LEU 42 2HD2 LEU 42 2.757 -5.597 1.103 340 H GLU 43 H GLU 43 1.931 -4.672 7.073 341 HA GLU 43 HA GLU 43 -0.148 -2.849 6.142 342 HB2 GLU 43 2HB GLU 43 -0.173 -3.511 8.490 343 HB3 GLU 43 3HB GLU 43 1.472 -2.929 8.700 344 HG2 GLU 43 2HG GLU 43 0.647 -0.632 8.150 345 HG3 GLU 43 3HG GLU 43 -0.992 -1.278 8.171 346 H ILE 44 H ILE 44 0.584 -1.480 4.569 347 HA ILE 44 HA ILE 44 3.150 -0.091 4.973 348 HB ILE 44 HB ILE 44 1.371 -0.173 2.517 349 HG12 ILE 44 2HG1 ILE 44 4.004 -1.570 3.100 350 HG13 ILE 44 3HG1 ILE 44 2.427 -2.345 2.987 351 HG21 ILE 44 1HG2 ILE 44 2.625 1.907 2.615 352 HG22 ILE 44 2HG2 ILE 44 3.285 0.867 1.354 353 HG23 ILE 44 3HG2 ILE 44 4.125 1.020 2.897 354 HD11 ILE 44 3HD1 ILE 44 2.296 -1.704 0.624 355 HD12 ILE 44 1HD1 ILE 44 3.710 -2.700 0.968 356 HD13 ILE 44 2HD1 ILE 44 3.891 -0.961 0.748 357 H ARG 45 H ARG 45 2.936 1.724 6.154 358 HA ARG 45 HA ARG 45 0.527 3.378 5.873 359 HB2 ARG 45 2HB ARG 45 2.784 3.550 7.886 360 HB3 ARG 45 3HB ARG 45 1.333 4.544 7.891 361 HG2 ARG 45 2HG ARG 45 -0.029 2.517 8.231 362 HG3 ARG 45 3HG ARG 45 1.447 1.551 8.282 363 HD2 ARG 45 2HD ARG 45 2.207 2.815 10.241 364 HD3 ARG 45 3HD ARG 45 0.739 3.794 10.184 365 HE ARG 45 HE ARG 45 -0.242 1.297 10.370 366 HH11 ARG 45 1HH1 ARG 45 2.167 2.969 12.203 367 HH12 ARG 45 2HH1 ARG 45 1.851 2.051 13.633 368 HH21 ARG 45 1HH2 ARG 45 -0.649 0.172 12.209 369 HH22 ARG 45 2HH2 ARG 45 0.257 0.504 13.644 370 H ILE 46 H ILE 46 0.664 4.817 4.249 371 HA ILE 46 HA ILE 46 3.200 6.187 3.707 372 HB ILE 46 HB ILE 46 0.569 6.373 2.215 373 HG12 ILE 46 2HG1 ILE 46 3.083 4.795 1.581 374 HG13 ILE 46 3HG1 ILE 46 1.543 4.113 2.091 375 HG21 ILE 46 1HG2 ILE 46 3.333 7.368 1.485 376 HG22 ILE 46 2HG2 ILE 46 1.940 8.362 1.909 377 HG23 ILE 46 3HG2 ILE 46 1.920 7.406 0.428 378 HD11 ILE 46 3HD1 ILE 46 1.842 3.854 -0.288 379 HD12 ILE 46 1HD1 ILE 46 2.068 5.593 -0.477 380 HD13 ILE 46 2HD1 ILE 46 0.505 4.957 0.038 381 H THR 47 H THR 47 3.629 8.136 4.539 382 HA THR 47 HA THR 47 1.396 9.761 5.615 383 HB THR 47 HB THR 47 4.225 9.627 6.699 384 HG1 THR 47 HG1 THR 47 3.504 7.856 7.607 385 HG21 THR 47 3HG2 THR 47 3.148 11.778 7.126 386 HG22 THR 47 1HG2 THR 47 3.276 10.851 8.621 387 HG23 THR 47 2HG2 THR 47 1.731 10.957 7.780 388 H GLY 48 H GLY 48 1.181 11.763 4.785 389 HA2 GLY 48 2HA GLY 48 1.938 13.923 4.234 390 HA3 GLY 48 3HA GLY 48 3.560 13.289 4.035 391 H VAL 49 H VAL 49 0.350 12.870 2.515 392 HA VAL 49 HA VAL 49 1.614 13.292 -0.115 393 HB VAL 49 HB VAL 49 0.104 11.559 -1.096 394 HG11 VAL 49 1HG1 VAL 49 2.028 10.544 1.006 395 HG12 VAL 49 2HG1 VAL 49 2.446 11.043 -0.632 396 HG13 VAL 49 3HG1 VAL 49 1.431 9.624 -0.376 397 HG21 VAL 49 3HG2 VAL 49 -0.923 9.887 0.391 398 HG22 VAL 49 1HG2 VAL 49 -1.600 11.495 0.651 399 HG23 VAL 49 2HG2 VAL 49 -0.430 10.836 1.795 400 HA PRO 50 HA PRO 50 -1.831 16.070 -0.785 401 HB2 PRO 50 2HB PRO 50 -1.797 16.216 -3.496 402 HB3 PRO 50 3HB PRO 50 -0.577 16.997 -2.483 403 HG2 PRO 50 2HG PRO 50 -0.423 14.393 -3.958 404 HG3 PRO 50 3HG PRO 50 0.792 15.678 -3.832 405 HD2 PRO 50 2HD PRO 50 0.888 13.412 -2.337 406 HD3 PRO 50 3HD PRO 50 1.505 14.971 -1.752 407 H GLU 51 H GLU 51 -4.003 15.876 -1.014 408 HA GLU 51 HA GLU 51 -5.189 13.366 -1.088 409 HB2 GLU 51 2HB GLU 51 -6.252 15.251 -0.018 410 HB3 GLU 51 3HB GLU 51 -6.421 16.083 -1.558 411 HG2 GLU 51 2HG GLU 51 -8.047 14.532 -2.320 412 HG3 GLU 51 3HG GLU 51 -7.733 13.440 -0.975 413 H GLN 52 H GLN 52 -4.744 15.654 -3.754 414 HA GLN 52 HA GLN 52 -6.453 14.466 -5.633 415 HB2 GLN 52 2HB GLN 52 -5.284 15.712 -7.304 416 HB3 GLN 52 3HB GLN 52 -5.296 16.699 -5.848 417 HG2 GLN 52 2HG GLN 52 -2.974 15.857 -5.378 418 HG3 GLN 52 3HG GLN 52 -3.000 15.110 -6.974 419 HE21 GLN 52 1HE2 GLN 52 -1.388 16.336 -7.859 420 HE22 GLN 52 2HE2 GLN 52 -1.526 18.033 -8.145 421 H VAL 53 H VAL 53 -3.227 13.545 -4.603 422 HA VAL 53 HA VAL 53 -2.990 11.517 -6.700 423 HB VAL 53 HB VAL 53 -1.067 12.196 -4.454 424 HG11 VAL 53 1HG1 VAL 53 0.584 10.935 -5.759 425 HG12 VAL 53 2HG1 VAL 53 -0.665 10.502 -6.928 426 HG13 VAL 53 3HG1 VAL 53 -0.766 9.914 -5.268 427 HG21 VAL 53 3HG2 VAL 53 -1.066 13.046 -7.358 428 HG22 VAL 53 1HG2 VAL 53 0.246 13.334 -6.212 429 HG23 VAL 53 2HG2 VAL 53 -1.328 14.085 -5.956 430 H ARG 54 H ARG 54 -3.583 11.772 -3.242 431 HA ARG 54 HA ARG 54 -3.253 9.220 -2.298 432 HB2 ARG 54 2HB ARG 54 -4.040 11.149 -0.946 433 HB3 ARG 54 3HB ARG 54 -5.618 11.023 -1.713 434 HG2 ARG 54 2HG ARG 54 -5.717 8.651 -0.783 435 HG3 ARG 54 3HG ARG 54 -4.316 9.094 0.195 436 HD2 ARG 54 2HD ARG 54 -6.241 9.444 1.546 437 HD3 ARG 54 3HD ARG 54 -5.665 11.037 1.065 438 HE ARG 54 HE ARG 54 -7.816 9.780 -0.477 439 HH11 ARG 54 1HH1 ARG 54 -6.817 12.259 1.716 440 HH12 ARG 54 2HH1 ARG 54 -8.253 13.189 1.472 441 HH21 ARG 54 1HH2 ARG 54 -9.651 10.976 -0.746 442 HH22 ARG 54 2HH2 ARG 54 -9.838 12.468 0.110 443 H LYS 55 H LYS 55 -5.942 10.454 -4.206 444 HA LYS 55 HA LYS 55 -7.731 8.343 -4.155 445 HB2 LYS 55 2HB LYS 55 -7.044 10.022 -6.579 446 HB3 LYS 55 3HB LYS 55 -8.564 9.189 -6.277 447 HG2 LYS 55 2HG LYS 55 -9.123 10.680 -4.500 448 HG3 LYS 55 3HG LYS 55 -7.505 11.391 -4.509 449 HD2 LYS 55 2HD LYS 55 -7.922 12.240 -6.795 450 HD3 LYS 55 3HD LYS 55 -9.560 11.590 -6.719 451 HE2 LYS 55 2HE LYS 55 -8.443 13.641 -4.803 452 HE3 LYS 55 3HE LYS 55 -9.410 14.031 -6.223 453 HZ1 LYS 55 3HZ LYS 55 -10.298 12.395 -3.908 454 HZ2 LYS 55 1HZ LYS 55 -11.228 12.731 -5.281 455 HZ3 LYS 55 2HZ LYS 55 -10.771 13.984 -4.244 456 H GLU 56 H GLU 56 -4.995 8.819 -6.396 457 HA GLU 56 HA GLU 56 -5.422 6.322 -7.749 458 HB2 GLU 56 2HB GLU 56 -3.025 8.170 -7.837 459 HB3 GLU 56 3HB GLU 56 -3.364 6.861 -8.963 460 HG2 GLU 56 2HG GLU 56 -5.449 8.026 -9.626 461 HG3 GLU 56 3HG GLU 56 -4.994 9.369 -8.579 462 H LEU 57 H LEU 57 -3.276 7.445 -5.176 463 HA LEU 57 HA LEU 57 -1.601 5.188 -5.015 464 HB2 LEU 57 2HB LEU 57 -2.508 7.065 -2.826 465 HB3 LEU 57 3HB LEU 57 -1.223 5.886 -2.648 466 HG LEU 57 HG LEU 57 -1.203 8.240 -4.549 467 HD11 LEU 57 1HD1 LEU 57 0.583 9.101 -3.095 468 HD12 LEU 57 2HD1 LEU 57 0.312 7.758 -1.983 469 HD13 LEU 57 3HD1 LEU 57 -0.958 8.953 -2.250 470 HD21 LEU 57 3HD2 LEU 57 1.129 7.622 -4.986 471 HD22 LEU 57 1HD2 LEU 57 0.022 6.342 -5.477 472 HD23 LEU 57 2HD2 LEU 57 0.942 6.185 -3.980 473 H ALA 58 H ALA 58 -4.812 5.788 -3.692 474 HA ALA 58 HA ALA 58 -5.029 3.415 -2.156 475 HB1 ALA 58 3HB ALA 58 -6.567 5.308 -1.888 476 HB2 ALA 58 1HB ALA 58 -7.439 3.810 -2.212 477 HB3 ALA 58 2HB ALA 58 -7.226 5.003 -3.495 478 H LYS 59 H LYS 59 -5.737 4.151 -5.550 479 HA LYS 59 HA LYS 59 -6.788 1.575 -6.185 480 HB2 LYS 59 2HB LYS 59 -7.350 3.474 -7.574 481 HB3 LYS 59 3HB LYS 59 -5.657 3.744 -7.965 482 HG2 LYS 59 2HG LYS 59 -5.544 1.791 -9.295 483 HG3 LYS 59 3HG LYS 59 -7.081 1.190 -8.676 484 HD2 LYS 59 2HD LYS 59 -6.746 3.672 -10.373 485 HD3 LYS 59 3HD LYS 59 -7.256 2.092 -10.973 486 HE2 LYS 59 2HE LYS 59 -8.708 3.820 -8.965 487 HE3 LYS 59 3HE LYS 59 -9.199 3.487 -10.625 488 HZ1 LYS 59 3HZ LYS 59 -9.366 1.114 -9.993 489 HZ2 LYS 59 1HZ LYS 59 -10.452 2.108 -9.163 490 HZ3 LYS 59 2HZ LYS 59 -9.067 1.545 -8.384 491 H GLU 60 H GLU 60 -3.528 2.919 -6.148 492 HA GLU 60 HA GLU 60 -2.136 0.952 -7.529 493 HB2 GLU 60 2HB GLU 60 -1.375 2.571 -5.094 494 HB3 GLU 60 3HB GLU 60 -0.248 1.486 -5.891 495 HG2 GLU 60 2HG GLU 60 -1.640 3.778 -7.264 496 HG3 GLU 60 3HG GLU 60 -0.027 3.874 -6.553 497 H ALA 61 H ALA 61 -3.333 0.941 -4.202 498 HA ALA 61 HA ALA 61 -2.328 -1.520 -3.337 499 HB1 ALA 61 3HB ALA 61 -3.456 0.092 -1.869 500 HB2 ALA 61 1HB ALA 61 -4.169 -1.514 -1.733 501 HB3 ALA 61 2HB ALA 61 -4.992 -0.260 -2.662 502 H GLU 62 H GLU 62 -5.315 -0.778 -5.129 503 HA GLU 62 HA GLU 62 -6.316 -3.417 -5.274 504 HB2 GLU 62 2HB GLU 62 -6.735 -1.183 -7.273 505 HB3 GLU 62 3HB GLU 62 -7.739 -2.613 -7.083 506 HG2 GLU 62 2HG GLU 62 -8.288 -1.823 -4.771 507 HG3 GLU 62 3HG GLU 62 -7.428 -0.329 -5.145 508 H ARG 63 H ARG 63 -4.207 -1.563 -7.442 509 HA ARG 63 HA ARG 63 -3.999 -3.480 -9.500 510 HB2 ARG 63 2HB ARG 63 -3.297 -1.146 -9.798 511 HB3 ARG 63 3HB ARG 63 -1.998 -1.370 -8.633 512 HG2 ARG 63 2HG ARG 63 -0.922 -2.981 -10.112 513 HG3 ARG 63 3HG ARG 63 -2.242 -2.823 -11.268 514 HD2 ARG 63 2HD ARG 63 -0.319 -1.515 -11.978 515 HD3 ARG 63 3HD ARG 63 -1.679 -0.462 -11.596 516 HE ARG 63 HE ARG 63 -0.537 0.299 -9.694 517 HH11 ARG 63 1HH1 ARG 63 1.319 -2.084 -11.374 518 HH12 ARG 63 2HH1 ARG 63 2.812 -1.556 -10.670 519 HH21 ARG 63 1HH2 ARG 63 1.399 0.957 -8.821 520 HH22 ARG 63 2HH2 ARG 63 2.851 0.111 -9.248 521 H LEU 64 H LEU 64 -2.003 -2.912 -6.620 522 HA LEU 64 HA LEU 64 -0.097 -4.931 -7.080 523 HB2 LEU 64 2HB LEU 64 -1.083 -3.690 -4.510 524 HB3 LEU 64 3HB LEU 64 0.313 -4.754 -4.613 525 HG LEU 64 HG LEU 64 0.054 -2.113 -6.067 526 HD11 LEU 64 1HD1 LEU 64 0.213 -1.769 -3.661 527 HD12 LEU 64 2HD1 LEU 64 1.699 -1.274 -4.472 528 HD13 LEU 64 3HD1 LEU 64 1.640 -2.805 -3.596 529 HD21 LEU 64 3HD2 LEU 64 2.442 -2.418 -6.522 530 HD22 LEU 64 1HD2 LEU 64 1.469 -3.700 -7.239 531 HD23 LEU 64 2HD2 LEU 64 2.382 -4.008 -5.761 532 H ALA 65 H ALA 65 -3.220 -5.019 -5.401 533 HA ALA 65 HA ALA 65 -3.167 -7.663 -4.506 534 HB1 ALA 65 3HB ALA 65 -4.937 -6.082 -3.906 535 HB2 ALA 65 1HB ALA 65 -5.609 -7.575 -4.562 536 HB3 ALA 65 2HB ALA 65 -5.541 -6.123 -5.563 537 H LYS 66 H LYS 66 -4.266 -6.372 -7.634 538 HA LYS 66 HA LYS 66 -4.885 -8.907 -8.780 539 HB2 LYS 66 2HB LYS 66 -4.309 -6.264 -10.147 540 HB3 LYS 66 3HB LYS 66 -5.065 -7.664 -10.899 541 HG2 LYS 66 2HG LYS 66 -6.950 -7.467 -9.320 542 HG3 LYS 66 3HG LYS 66 -6.194 -6.031 -8.624 543 HD2 LYS 66 2HD LYS 66 -6.322 -4.920 -10.825 544 HD3 LYS 66 3HD LYS 66 -7.116 -6.351 -11.487 545 HE2 LYS 66 2HE LYS 66 -8.780 -4.685 -10.966 546 HE3 LYS 66 3HE LYS 66 -8.948 -6.041 -9.853 547 HZ1 LYS 66 3HZ LYS 66 -9.121 -3.889 -8.739 548 HZ2 LYS 66 1HZ LYS 66 -7.551 -3.497 -9.236 549 HZ3 LYS 66 2HZ LYS 66 -7.803 -4.781 -8.166 550 H GLU 67 H GLU 67 -1.959 -7.053 -8.511 551 HA GLU 67 HA GLU 67 -0.425 -8.057 -10.616 552 HB2 GLU 67 2HB GLU 67 0.226 -6.154 -9.181 553 HB3 GLU 67 3HB GLU 67 0.482 -7.254 -7.837 554 HG2 GLU 67 2HG GLU 67 2.609 -6.705 -8.721 555 HG3 GLU 67 3HG GLU 67 2.265 -8.370 -9.184 556 H PHE 68 H PHE 68 -0.553 -9.243 -7.239 557 HA PHE 68 HA PHE 68 0.500 -11.842 -8.175 558 HB2 PHE 68 2HB PHE 68 0.733 -10.421 -5.532 559 HB3 PHE 68 3HB PHE 68 0.951 -12.164 -5.636 560 HD1 PHE 68 HD2 PHE 68 2.240 -8.931 -6.926 561 HD2 PHE 68 HD1 PHE 68 2.973 -13.092 -6.377 562 HE1 PHE 68 HE2 PHE 68 4.581 -8.611 -7.615 563 HE2 PHE 68 HE1 PHE 68 5.311 -12.774 -7.067 564 HZ PHE 68 HZ PHE 68 6.118 -10.532 -7.684 565 H ASN 69 H ASN 69 -2.381 -10.702 -7.946 566 HA ASN 69 HA ASN 69 -4.466 -11.554 -7.612 567 HB2 ASN 69 2HB ASN 69 -3.057 -14.212 -7.249 568 HB3 ASN 69 3HB ASN 69 -4.749 -13.969 -7.680 569 HD21 ASN 69 1HD2 ASN 69 -1.486 -13.928 -8.793 570 HD22 ASN 69 2HD2 ASN 69 -1.841 -13.755 -10.473 571 H ILE 70 H ILE 70 -2.836 -10.673 -5.284 572 HA ILE 70 HA ILE 70 -3.721 -12.397 -3.093 573 HB ILE 70 HB ILE 70 -2.378 -10.895 -1.645 574 HG12 ILE 70 2HG1 ILE 70 -1.640 -9.536 -4.256 575 HG13 ILE 70 3HG1 ILE 70 -2.612 -8.829 -2.971 576 HG21 ILE 70 1HG2 ILE 70 -0.187 -11.616 -2.457 577 HG22 ILE 70 2HG2 ILE 70 -0.885 -11.985 -4.034 578 HG23 ILE 70 3HG2 ILE 70 -1.381 -12.906 -2.613 579 HD11 ILE 70 3HD1 ILE 70 -0.330 -7.994 -2.944 580 HD12 ILE 70 1HD1 ILE 70 0.278 -9.635 -2.742 581 HD13 ILE 70 2HD1 ILE 70 -0.697 -8.894 -1.473 582 H THR 71 H THR 71 -4.302 -10.973 -1.018 583 HA THR 71 HA THR 71 -6.685 -9.408 -1.775 584 HB THR 71 HB THR 71 -5.953 -10.698 0.872 585 HG1 THR 71 HG1 THR 71 -7.641 -12.158 0.290 586 HG21 THR 71 3HG2 THR 71 -7.374 -8.714 1.193 587 HG22 THR 71 1HG2 THR 71 -8.261 -10.197 1.548 588 HG23 THR 71 2HG2 THR 71 -8.529 -9.352 0.023 589 H VAL 72 H VAL 72 -7.127 -7.355 -0.797 590 HA VAL 72 HA VAL 72 -5.046 -6.203 0.910 591 HB VAL 72 HB VAL 72 -4.353 -5.602 -1.358 592 HG11 VAL 72 1HG1 VAL 72 -7.020 -4.198 -1.590 593 HG12 VAL 72 2HG1 VAL 72 -6.535 -5.650 -2.467 594 HG13 VAL 72 3HG1 VAL 72 -5.703 -4.122 -2.761 595 HG21 VAL 72 3HG2 VAL 72 -4.160 -3.184 -1.025 596 HG22 VAL 72 1HG2 VAL 72 -3.889 -4.059 0.482 597 HG23 VAL 72 2HG2 VAL 72 -5.428 -3.246 0.200 598 H THR 73 H THR 73 -5.818 -4.954 2.474 599 HA THR 73 HA THR 73 -8.402 -3.562 2.140 600 HB THR 73 HB THR 73 -8.969 -3.973 4.497 601 HG1 THR 73 HG1 THR 73 -7.064 -4.303 5.530 602 HG21 THR 73 3HG2 THR 73 -9.456 -6.393 4.376 603 HG22 THR 73 1HG2 THR 73 -8.379 -6.526 2.987 604 HG23 THR 73 2HG2 THR 73 -9.851 -5.559 2.872 605 H TYR 74 H TYR 74 -8.285 -1.413 2.650 606 HA TYR 74 HA TYR 74 -5.912 -0.495 4.150 607 HB2 TYR 74 2HB TYR 74 -5.692 1.416 2.610 608 HB3 TYR 74 3HB TYR 74 -5.480 -0.123 1.784 609 HD1 TYR 74 HD2 TYR 74 -7.127 -0.899 0.150 610 HD2 TYR 74 HD1 TYR 74 -7.627 2.832 2.147 611 HE1 TYR 74 HE2 TYR 74 -8.837 -0.250 -1.492 612 HE2 TYR 74 HE1 TYR 74 -9.338 3.485 0.508 613 HH TYR 74 HH TYR 74 -10.675 1.253 -1.750 614 H THR 75 H THR 75 -6.084 1.461 5.291 615 HA THR 75 HA THR 75 -8.794 2.608 5.567 616 HB THR 75 HB THR 75 -6.801 2.125 7.806 617 HG1 THR 75 HG1 THR 75 -7.956 0.252 7.336 618 HG21 THR 75 3HG2 THR 75 -7.981 4.261 8.121 619 HG22 THR 75 1HG2 THR 75 -8.510 3.061 9.301 620 HG23 THR 75 2HG2 THR 75 -9.528 3.439 7.912 621 H ILE 76 H ILE 76 -8.904 4.801 5.419 622 HA ILE 76 HA ILE 76 -6.352 6.299 5.415 623 HB ILE 76 HB ILE 76 -8.752 6.798 3.640 624 HG12 ILE 76 2HG1 ILE 76 -5.956 5.784 3.045 625 HG13 ILE 76 3HG1 ILE 76 -7.459 4.886 2.875 626 HG21 ILE 76 1HG2 ILE 76 -6.118 8.280 3.764 627 HG22 ILE 76 2HG2 ILE 76 -7.665 8.889 4.353 628 HG23 ILE 76 3HG2 ILE 76 -7.436 8.586 2.633 629 HD11 ILE 76 3HD1 ILE 76 -8.144 6.422 1.084 630 HD12 ILE 76 1HD1 ILE 76 -6.635 5.586 0.722 631 HD13 ILE 76 2HD1 ILE 76 -6.604 7.268 1.248 632 H ARG 77 H ARG 77 -6.270 7.511 7.171 633 HA ARG 77 HA ARG 77 -8.720 8.591 8.351 634 HB2 ARG 77 2HB ARG 77 -7.358 9.077 10.304 635 HB3 ARG 77 3HB ARG 77 -7.117 7.409 9.803 636 HG2 ARG 77 2HG ARG 77 -5.009 8.097 8.681 637 HG3 ARG 77 3HG ARG 77 -5.241 9.724 9.323 638 HD2 ARG 77 2HD ARG 77 -4.854 7.183 10.906 639 HD3 ARG 77 3HD ARG 77 -3.710 8.512 10.742 640 HE ARG 77 HE ARG 77 -5.242 9.883 12.037 641 HH11 ARG 77 1HH1 ARG 77 -5.799 6.484 12.071 642 HH12 ARG 77 2HH1 ARG 77 -6.674 6.531 13.562 643 HH21 ARG 77 1HH2 ARG 77 -6.373 9.933 13.956 644 HH22 ARG 77 2HH2 ARG 77 -6.982 8.461 14.629 645 H LEU 78 H LEU 78 -9.082 10.770 8.706 646 HA LEU 78 HA LEU 78 -7.177 12.719 7.640 647 HB2 LEU 78 2HB LEU 78 -8.792 13.829 6.250 648 HB3 LEU 78 3HB LEU 78 -8.698 12.149 5.765 649 HG LEU 78 HG LEU 78 -10.901 13.288 7.509 650 HD11 LEU 78 1HD1 LEU 78 -10.924 12.691 4.548 651 HD12 LEU 78 2HD1 LEU 78 -10.984 14.290 5.290 652 HD13 LEU 78 3HD1 LEU 78 -12.320 13.164 5.519 653 HD21 LEU 78 3HD2 LEU 78 -10.594 10.902 7.845 654 HD22 LEU 78 1HD2 LEU 78 -10.631 10.625 6.102 655 HD23 LEU 78 2HD2 LEU 78 -12.077 11.195 6.937 656 H GLU 79 H GLU 79 -7.905 15.008 8.141 657 HA GLU 79 HA GLU 79 -8.944 15.106 10.863 658 HB2 GLU 79 2HB GLU 79 -6.961 16.508 9.691 659 HB3 GLU 79 3HB GLU 79 -8.288 17.613 9.373 660 HG2 GLU 79 2HG GLU 79 -7.236 16.687 12.034 661 HG3 GLU 79 3HG GLU 79 -7.260 18.322 11.382 662 H HIS 80 H HIS 80 -10.944 15.929 11.445 663 HA HIS 80 HA HIS 80 -12.960 15.880 9.444 664 HB2 HIS 80 2HB HIS 80 -14.499 16.610 11.314 665 HB3 HIS 80 3HB HIS 80 -13.604 15.123 11.589 666 HD1 HIS 80 HD1 HIS 80 -11.918 18.434 12.167 667 HD2 HIS 80 HD2 HIS 80 -13.748 15.409 14.354 668 HE1 HIS 80 HE1 HIS 80 -11.408 18.937 14.566 669 HE2 HIS 80 HE2 HIS 80 -12.406 17.031 15.857 670 H HIS 81 H HIS 81 -12.281 17.495 7.954 671 HA HIS 81 HA HIS 81 -12.505 20.288 8.738 672 HB2 HIS 81 2HB HIS 81 -12.077 19.055 6.001 673 HB3 HIS 81 3HB HIS 81 -11.941 20.769 6.387 674 HD1 HIS 81 HD1 HIS 81 -9.759 18.309 5.540 675 HD2 HIS 81 HD2 HIS 81 -9.962 20.704 8.930 676 HE1 HIS 81 HE1 HIS 81 -7.440 18.313 6.498 677 HE2 HIS 81 HE2 HIS 81 -7.554 19.882 8.461 678 H HIS 82 H HIS 82 -13.967 21.765 7.468 679 HA HIS 82 HA HIS 82 -16.413 20.659 6.430 680 HB2 HIS 82 2HB HIS 82 -17.846 21.626 8.280 681 HB3 HIS 82 3HB HIS 82 -16.908 20.204 8.729 682 HD1 HIS 82 HD1 HIS 82 -16.781 23.985 9.100 683 HD2 HIS 82 HD2 HIS 82 -15.276 20.554 10.901 684 HE1 HIS 82 HE1 HIS 82 -15.615 24.770 11.172 685 HE2 HIS 82 HE2 HIS 82 -14.568 22.707 12.147 686 H HIS 83 H HIS 83 -17.618 22.160 5.320 687 HA HIS 83 HA HIS 83 -17.028 25.015 5.736 688 HB2 HIS 83 2HB HIS 83 -15.677 24.397 3.833 689 HB3 HIS 83 3HB HIS 83 -17.030 23.563 3.078 690 HD1 HIS 83 HD1 HIS 83 -18.324 24.894 1.420 691 HD2 HIS 83 HD2 HIS 83 -16.152 27.318 4.004 692 HE1 HIS 83 HE1 HIS 83 -18.640 27.236 0.573 693 HE2 HIS 83 HE2 HIS 83 -17.452 28.688 2.243 694 H HIS 84 H HIS 84 -18.822 26.205 5.939 695 HA HIS 84 HA HIS 84 -21.428 25.060 5.244 696 HB2 HIS 84 2HB HIS 84 -20.664 27.563 6.773 697 HB3 HIS 84 3HB HIS 84 -22.322 27.081 6.446 698 HD1 HIS 84 HD1 HIS 84 -23.376 25.450 8.030 699 HD2 HIS 84 HD2 HIS 84 -19.272 25.773 8.572 700 HE1 HIS 84 HE1 HIS 84 -22.881 24.211 10.152 701 HE2 HIS 84 HE2 HIS 84 -20.436 24.599 10.560 702 H HIS 85 H HIS 85 -23.017 26.283 4.050 703 HA HIS 85 HA HIS 85 -21.927 28.118 2.041 704 HB2 HIS 85 2HB HIS 85 -24.672 26.876 2.359 705 HB3 HIS 85 3HB HIS 85 -24.248 28.003 1.077 706 HD1 HIS 85 HD1 HIS 85 -25.131 24.946 0.759 707 HD2 HIS 85 HD2 HIS 85 -21.286 26.479 0.435 708 HE1 HIS 85 HE1 HIS 85 -23.883 23.320 -0.688 709 HE2 HIS 85 HE2 HIS 85 -21.642 24.398 -1.056 Start of MODEL 8 1 H1 MET 1 1H MET 1 -1.053 14.321 4.553 2 H2 MET 1 2H MET 1 -2.243 14.950 3.536 3 H3 MET 1 3H MET 1 -1.182 13.767 2.960 4 HA MET 1 HA MET 1 -3.230 13.406 5.079 5 HB2 MET 1 2HB MET 1 -4.090 13.574 2.738 6 HB3 MET 1 3HB MET 1 -3.060 12.221 2.293 7 HG2 MET 1 2HG MET 1 -4.309 10.874 4.049 8 HG3 MET 1 3HG MET 1 -5.454 12.214 4.115 9 HE1 MET 1 3HE MET 1 -3.910 9.359 1.932 10 HE2 MET 1 1HE MET 1 -3.480 10.802 1.015 11 HE3 MET 1 2HE MET 1 -4.650 9.656 0.360 12 H GLU 2 H GLU 2 -3.396 11.268 5.926 13 HA GLU 2 HA GLU 2 -0.960 9.622 5.737 14 HB2 GLU 2 2HB GLU 2 -3.327 9.397 7.620 15 HB3 GLU 2 3HB GLU 2 -1.828 8.485 7.727 16 HG2 GLU 2 2HG GLU 2 -0.588 10.418 8.322 17 HG3 GLU 2 3HG GLU 2 -1.937 11.484 7.928 18 H MET 3 H MET 3 -1.062 7.403 5.094 19 HA MET 3 HA MET 3 -3.682 6.289 4.449 20 HB2 MET 3 2HB MET 3 -2.806 7.529 2.411 21 HB3 MET 3 3HB MET 3 -1.539 6.314 2.318 22 HG2 MET 3 2HG MET 3 -3.159 4.572 1.972 23 HG3 MET 3 3HG MET 3 -4.487 5.698 2.246 24 HE1 MET 3 3HE MET 3 -4.945 5.007 -1.551 25 HE2 MET 3 1HE MET 3 -5.740 5.121 0.019 26 HE3 MET 3 2HE MET 3 -4.540 3.861 -0.274 27 H ASP 4 H ASP 4 -3.612 4.521 5.686 28 HA ASP 4 HA ASP 4 -1.271 2.772 5.682 29 HB2 ASP 4 2HB ASP 4 -3.913 2.551 7.154 30 HB3 ASP 4 3HB ASP 4 -2.541 1.466 7.364 31 H ILE 5 H ILE 5 -1.102 1.437 3.966 32 HA ILE 5 HA ILE 5 -3.539 0.110 2.928 33 HB ILE 5 HB ILE 5 -0.943 0.634 1.451 34 HG12 ILE 5 2HG1 ILE 5 -3.649 1.974 1.147 35 HG13 ILE 5 3HG1 ILE 5 -2.212 2.712 1.851 36 HG21 ILE 5 1HG2 ILE 5 -2.154 -0.144 -0.534 37 HG22 ILE 5 2HG2 ILE 5 -3.569 -0.488 0.461 38 HG23 ILE 5 3HG2 ILE 5 -2.079 -1.399 0.703 39 HD11 ILE 5 3HD1 ILE 5 -2.546 3.478 -0.416 40 HD12 ILE 5 1HD1 ILE 5 -2.532 1.814 -1.006 41 HD13 ILE 5 2HD1 ILE 5 -1.072 2.518 -0.310 42 H ARG 6 H ARG 6 -3.648 -2.005 3.519 43 HA ARG 6 HA ARG 6 -1.114 -3.433 4.009 44 HB2 ARG 6 2HB ARG 6 -2.503 -5.094 5.265 45 HB3 ARG 6 3HB ARG 6 -2.459 -3.486 5.970 46 HG2 ARG 6 2HG ARG 6 -4.668 -3.086 5.563 47 HG3 ARG 6 3HG ARG 6 -4.713 -4.133 4.143 48 HD2 ARG 6 2HD ARG 6 -5.931 -4.888 6.307 49 HD3 ARG 6 3HD ARG 6 -4.973 -6.062 5.409 50 HE ARG 6 HE ARG 6 -3.284 -5.917 7.076 51 HH11 ARG 6 1HH1 ARG 6 -6.196 -4.256 7.896 52 HH12 ARG 6 2HH1 ARG 6 -5.836 -4.243 9.585 53 HH21 ARG 6 1HH2 ARG 6 -2.858 -5.949 9.215 54 HH22 ARG 6 2HH2 ARG 6 -3.941 -5.194 10.336 55 H PHE 7 H PHE 7 -0.464 -4.965 2.695 56 HA PHE 7 HA PHE 7 -2.378 -6.270 0.864 57 HB2 PHE 7 2HB PHE 7 0.654 -6.148 0.792 58 HB3 PHE 7 3HB PHE 7 -0.334 -7.054 -0.346 59 HD1 PHE 7 HD2 PHE 7 0.679 -3.687 0.747 60 HD2 PHE 7 HD1 PHE 7 -1.514 -5.949 -2.125 61 HE1 PHE 7 HE2 PHE 7 0.536 -1.704 -0.708 62 HE2 PHE 7 HE1 PHE 7 -1.653 -3.970 -3.580 63 HZ PHE 7 HZ PHE 7 -0.628 -1.847 -2.872 64 H ARG 8 H ARG 8 -2.960 -8.340 1.297 65 HA ARG 8 HA ARG 8 -1.299 -9.864 3.201 66 HB2 ARG 8 2HB ARG 8 -3.581 -9.147 4.032 67 HB3 ARG 8 3HB ARG 8 -4.281 -10.207 2.813 68 HG2 ARG 8 2HG ARG 8 -3.170 -12.129 3.825 69 HG3 ARG 8 3HG ARG 8 -2.422 -11.075 5.024 70 HD2 ARG 8 2HD ARG 8 -4.713 -10.452 5.800 71 HD3 ARG 8 3HD ARG 8 -5.368 -11.662 4.694 72 HE ARG 8 HE ARG 8 -3.376 -12.606 6.587 73 HH11 ARG 8 1HH1 ARG 8 -6.739 -12.289 5.861 74 HH12 ARG 8 2HH1 ARG 8 -7.190 -13.505 7.003 75 HH21 ARG 8 1HH2 ARG 8 -3.993 -14.162 8.029 76 HH22 ARG 8 2HH2 ARG 8 -5.672 -14.548 8.203 77 H GLY 9 H GLY 9 -0.371 -11.620 2.418 78 HA2 GLY 9 2HA GLY 9 -1.586 -13.613 0.870 79 HA3 GLY 9 3HA GLY 9 -0.719 -12.548 -0.229 80 H ASP 10 H ASP 10 -0.090 -15.296 0.162 81 HA ASP 10 HA ASP 10 2.284 -15.345 1.878 82 HB2 ASP 10 2HB ASP 10 0.842 -17.526 0.366 83 HB3 ASP 10 3HB ASP 10 2.315 -17.793 1.294 84 H ASP 11 H ASP 11 1.622 -14.732 -1.386 85 HA ASP 11 HA ASP 11 3.861 -15.971 -2.599 86 HB2 ASP 11 2HB ASP 11 2.252 -13.565 -3.479 87 HB3 ASP 11 3HB ASP 11 3.454 -14.384 -4.476 88 H LEU 12 H LEU 12 5.884 -15.604 -2.078 89 HA LEU 12 HA LEU 12 6.882 -13.671 -0.421 90 HB2 LEU 12 2HB LEU 12 8.031 -15.755 -0.995 91 HB3 LEU 12 3HB LEU 12 8.365 -15.138 -2.601 92 HG LEU 12 HG LEU 12 9.799 -13.381 -1.631 93 HD11 LEU 12 1HD1 LEU 12 9.203 -14.741 0.997 94 HD12 LEU 12 2HD1 LEU 12 8.724 -13.110 0.522 95 HD13 LEU 12 3HD1 LEU 12 10.429 -13.499 0.742 96 HD21 LEU 12 3HD2 LEU 12 10.794 -15.499 -2.337 97 HD22 LEU 12 1HD2 LEU 12 10.515 -16.175 -0.730 98 HD23 LEU 12 2HD2 LEU 12 11.641 -14.833 -0.940 99 H GLU 13 H GLU 13 7.220 -13.601 -3.998 100 HA GLU 13 HA GLU 13 8.700 -11.205 -4.030 101 HB2 GLU 13 2HB GLU 13 8.360 -11.154 -6.415 102 HB3 GLU 13 3HB GLU 13 8.660 -12.809 -5.909 103 HG2 GLU 13 2HG GLU 13 6.370 -13.397 -6.170 104 HG3 GLU 13 3HG GLU 13 5.896 -11.713 -6.396 105 H ALA 14 H ALA 14 5.246 -11.734 -3.886 106 HA ALA 14 HA ALA 14 4.272 -9.310 -4.862 107 HB1 ALA 14 3HB ALA 14 3.165 -10.902 -2.543 108 HB2 ALA 14 1HB ALA 14 2.832 -11.211 -4.247 109 HB3 ALA 14 2HB ALA 14 2.288 -9.709 -3.500 110 H PHE 15 H PHE 15 5.557 -10.116 -1.670 111 HA PHE 15 HA PHE 15 5.104 -7.768 -0.265 112 HB2 PHE 15 2HB PHE 15 6.075 -9.742 0.780 113 HB3 PHE 15 3HB PHE 15 7.511 -9.615 -0.226 114 HD1 PHE 15 HD2 PHE 15 5.742 -8.258 2.686 115 HD2 PHE 15 HD1 PHE 15 9.249 -7.993 0.278 116 HE1 PHE 15 HE2 PHE 15 6.834 -6.911 4.426 117 HE2 PHE 15 HE1 PHE 15 10.345 -6.646 2.026 118 HZ PHE 15 HZ PHE 15 9.135 -6.102 4.102 119 H GLU 16 H GLU 16 7.889 -8.558 -2.340 120 HA GLU 16 HA GLU 16 9.175 -6.036 -2.051 121 HB2 GLU 16 2HB GLU 16 10.420 -8.058 -2.650 122 HB3 GLU 16 3HB GLU 16 9.522 -8.185 -4.158 123 HG2 GLU 16 2HG GLU 16 10.465 -5.930 -4.780 124 HG3 GLU 16 3HG GLU 16 11.515 -6.071 -3.372 125 H LYS 17 H LYS 17 7.332 -7.454 -4.771 126 HA LYS 17 HA LYS 17 7.697 -5.374 -6.585 127 HB2 LYS 17 2HB LYS 17 5.326 -7.247 -6.380 128 HB3 LYS 17 3HB LYS 17 5.759 -6.300 -7.797 129 HG2 LYS 17 2HG LYS 17 7.402 -8.515 -6.567 130 HG3 LYS 17 3HG LYS 17 6.458 -8.614 -8.054 131 HD2 LYS 17 2HD LYS 17 7.887 -6.950 -9.108 132 HD3 LYS 17 3HD LYS 17 8.792 -6.742 -7.608 133 HE2 LYS 17 2HE LYS 17 10.046 -8.149 -9.114 134 HE3 LYS 17 3HE LYS 17 9.495 -9.111 -7.743 135 HZ1 LYS 17 3HZ LYS 17 9.194 -10.309 -9.802 136 HZ2 LYS 17 1HZ LYS 17 8.266 -9.052 -10.449 137 HZ3 LYS 17 2HZ LYS 17 7.684 -9.948 -9.137 138 H ALA 18 H ALA 18 4.985 -5.841 -4.299 139 HA ALA 18 HA ALA 18 3.595 -3.483 -5.109 140 HB1 ALA 18 3HB ALA 18 2.219 -3.851 -3.117 141 HB2 ALA 18 1HB ALA 18 3.363 -5.070 -2.553 142 HB3 ALA 18 2HB ALA 18 2.445 -5.339 -4.036 143 H LEU 19 H LEU 19 5.523 -4.183 -2.167 144 HA LEU 19 HA LEU 19 5.369 -1.653 -1.006 145 HB2 LEU 19 2HB LEU 19 6.202 -3.615 0.179 146 HB3 LEU 19 3HB LEU 19 7.603 -3.685 -0.871 147 HG LEU 19 HG LEU 19 8.383 -1.517 0.055 148 HD11 LEU 19 1HD1 LEU 19 6.230 -0.577 0.699 149 HD12 LEU 19 2HD1 LEU 19 7.332 -0.618 2.075 150 HD13 LEU 19 3HD1 LEU 19 6.044 -1.816 1.941 151 HD21 LEU 19 3HD2 LEU 19 7.851 -3.658 2.121 152 HD22 LEU 19 1HD2 LEU 19 9.067 -2.383 2.239 153 HD23 LEU 19 2HD2 LEU 19 9.203 -3.618 0.988 154 H LYS 20 H LYS 20 7.633 -2.878 -3.441 155 HA LYS 20 HA LYS 20 9.438 -0.716 -3.391 156 HB2 LYS 20 2HB LYS 20 9.798 -2.974 -4.478 157 HB3 LYS 20 3HB LYS 20 8.797 -2.413 -5.811 158 HG2 LYS 20 2HG LYS 20 11.146 -2.182 -6.354 159 HG3 LYS 20 3HG LYS 20 10.389 -0.592 -6.235 160 HD2 LYS 20 2HD LYS 20 11.316 -0.277 -4.009 161 HD3 LYS 20 3HD LYS 20 11.987 -1.908 -4.027 162 HE2 LYS 20 2HE LYS 20 12.764 0.341 -5.887 163 HE3 LYS 20 3HE LYS 20 13.697 -0.211 -4.498 164 HZ1 LYS 20 3HZ LYS 20 13.833 -2.411 -5.585 165 HZ2 LYS 20 1HZ LYS 20 14.590 -1.185 -6.465 166 HZ3 LYS 20 2HZ LYS 20 13.084 -1.762 -6.951 167 H GLU 21 H GLU 21 6.472 -1.233 -5.280 168 HA GLU 21 HA GLU 21 6.726 1.132 -6.849 169 HB2 GLU 21 2HB GLU 21 4.317 -0.569 -6.173 170 HB3 GLU 21 3HB GLU 21 4.245 0.814 -7.257 171 HG2 GLU 21 2HG GLU 21 5.948 -1.641 -7.661 172 HG3 GLU 21 3HG GLU 21 4.416 -1.307 -8.467 173 H MET 22 H MET 22 5.045 0.427 -3.800 174 HA MET 22 HA MET 22 3.797 2.918 -3.460 175 HB2 MET 22 2HB MET 22 4.870 1.065 -1.316 176 HB3 MET 22 3HB MET 22 3.694 2.351 -1.068 177 HG2 MET 22 2HG MET 22 3.326 -0.171 -2.671 178 HG3 MET 22 3HG MET 22 2.534 0.263 -1.157 179 HE1 MET 22 3HE MET 22 0.251 3.259 -2.312 180 HE2 MET 22 1HE MET 22 1.906 3.383 -1.710 181 HE3 MET 22 2HE MET 22 0.766 2.270 -0.949 182 H ILE 23 H ILE 23 6.978 1.791 -2.293 183 HA ILE 23 HA ILE 23 7.827 4.256 -1.190 184 HB ILE 23 HB ILE 23 9.466 1.966 -2.310 185 HG12 ILE 23 2HG1 ILE 23 8.676 2.653 0.539 186 HG13 ILE 23 3HG1 ILE 23 8.007 1.341 -0.423 187 HG21 ILE 23 1HG2 ILE 23 10.355 4.284 -0.585 188 HG22 ILE 23 2HG2 ILE 23 10.816 3.985 -2.260 189 HG23 ILE 23 3HG2 ILE 23 11.339 2.878 -0.995 190 HD11 ILE 23 3HD1 ILE 23 9.637 0.526 1.178 191 HD12 ILE 23 1HD1 ILE 23 10.866 1.583 0.488 192 HD13 ILE 23 2HD1 ILE 23 10.197 0.263 -0.473 193 H ARG 24 H ARG 24 8.307 2.816 -4.393 194 HA ARG 24 HA ARG 24 9.947 4.630 -5.647 195 HB2 ARG 24 2HB ARG 24 9.248 2.580 -6.707 196 HB3 ARG 24 3HB ARG 24 7.570 3.095 -6.710 197 HG2 ARG 24 2HG ARG 24 8.151 4.879 -8.316 198 HG3 ARG 24 3HG ARG 24 9.810 4.272 -8.348 199 HD2 ARG 24 2HD ARG 24 9.008 2.107 -9.155 200 HD3 ARG 24 3HD ARG 24 7.345 2.690 -9.090 201 HE ARG 24 HE ARG 24 8.840 4.401 -10.733 202 HH11 ARG 24 1HH1 ARG 24 7.598 1.186 -10.691 203 HH12 ARG 24 2HH1 ARG 24 7.507 1.086 -12.418 204 HH21 ARG 24 1HH2 ARG 24 8.689 4.268 -12.945 205 HH22 ARG 24 2HH2 ARG 24 8.125 2.808 -13.680 206 H GLN 25 H GLN 25 6.381 4.790 -5.511 207 HA GLN 25 HA GLN 25 6.223 7.344 -6.766 208 HB2 GLN 25 2HB GLN 25 4.301 5.526 -5.376 209 HB3 GLN 25 3HB GLN 25 3.832 7.205 -5.592 210 HG2 GLN 25 2HG GLN 25 2.993 5.735 -7.380 211 HG3 GLN 25 3HG GLN 25 4.033 7.022 -7.980 212 HE21 GLN 25 1HE2 GLN 25 3.739 3.595 -7.447 213 HE22 GLN 25 2HE2 GLN 25 5.070 3.130 -8.441 214 H ALA 26 H ALA 26 6.189 6.307 -3.367 215 HA ALA 26 HA ALA 26 5.567 8.788 -2.198 216 HB1 ALA 26 3HB ALA 26 6.438 7.857 -0.129 217 HB2 ALA 26 1HB ALA 26 7.231 6.559 -1.026 218 HB3 ALA 26 2HB ALA 26 5.471 6.658 -0.988 219 H ARG 27 H ARG 27 8.654 7.467 -3.269 220 HA ARG 27 HA ARG 27 10.385 9.332 -2.075 221 HB2 ARG 27 2HB ARG 27 10.641 7.678 -4.588 222 HB3 ARG 27 3HB ARG 27 11.945 8.703 -4.000 223 HG2 ARG 27 2HG ARG 27 10.708 6.693 -2.159 224 HG3 ARG 27 3HG ARG 27 11.869 6.163 -3.374 225 HD2 ARG 27 2HD ARG 27 12.766 6.724 -1.039 226 HD3 ARG 27 3HD ARG 27 13.616 7.408 -2.421 227 HE ARG 27 HE ARG 27 12.643 9.534 -1.907 228 HH11 ARG 27 1HH1 ARG 27 12.094 7.142 0.522 229 HH12 ARG 27 2HH1 ARG 27 11.837 8.320 1.759 230 HH21 ARG 27 1HH2 ARG 27 12.306 11.016 -0.308 231 HH22 ARG 27 2HH2 ARG 27 11.959 10.486 1.300 232 H LYS 28 H LYS 28 8.402 9.601 -4.954 233 HA LYS 28 HA LYS 28 9.595 11.987 -5.974 234 HB2 LYS 28 2HB LYS 28 6.779 10.929 -6.349 235 HB3 LYS 28 3HB LYS 28 7.522 12.210 -7.298 236 HG2 LYS 28 2HG LYS 28 9.251 10.559 -8.035 237 HG3 LYS 28 3HG LYS 28 8.327 9.306 -7.209 238 HD2 LYS 28 2HD LYS 28 7.213 11.061 -9.407 239 HD3 LYS 28 3HD LYS 28 7.906 9.464 -9.676 240 HE2 LYS 28 2HE LYS 28 5.538 9.207 -9.596 241 HE3 LYS 28 3HE LYS 28 6.179 8.546 -8.094 242 HZ1 LYS 28 3HZ LYS 28 4.175 9.926 -7.813 243 HZ2 LYS 28 1HZ LYS 28 5.031 11.271 -8.373 244 HZ3 LYS 28 2HZ LYS 28 5.494 10.506 -6.937 245 H PHE 29 H PHE 29 7.670 11.378 -3.261 246 HA PHE 29 HA PHE 29 7.037 14.251 -2.951 247 HB2 PHE 29 2HB PHE 29 5.538 11.894 -1.759 248 HB3 PHE 29 3HB PHE 29 5.135 13.594 -1.544 249 HD1 PHE 29 HD1 PHE 29 4.400 14.934 -3.556 250 HD2 PHE 29 HD2 PHE 29 4.745 10.688 -3.616 251 HE1 PHE 29 HE1 PHE 29 2.945 14.844 -5.540 252 HE2 PHE 29 HE2 PHE 29 3.293 10.594 -5.597 253 HZ PHE 29 HZ PHE 29 2.390 12.674 -6.562 254 H ALA 30 H ALA 30 6.513 14.472 -0.346 255 HA ALA 30 HA ALA 30 8.991 13.668 1.006 256 HB1 ALA 30 3HB ALA 30 8.315 15.274 2.740 257 HB2 ALA 30 1HB ALA 30 6.795 15.551 1.890 258 HB3 ALA 30 2HB ALA 30 8.320 16.018 1.141 259 H GLY 31 H GLY 31 7.147 11.577 0.466 260 HA2 GLY 31 2HA GLY 31 5.488 11.121 2.801 261 HA3 GLY 31 3HA GLY 31 5.641 10.074 1.402 262 H THR 32 H THR 32 6.159 10.195 4.622 263 HA THR 32 HA THR 32 8.582 8.575 4.699 264 HB THR 32 HB THR 32 6.687 9.419 6.911 265 HG1 THR 32 HG1 THR 32 9.354 10.259 6.778 266 HG21 THR 32 3HG2 THR 32 8.396 8.611 8.474 267 HG22 THR 32 1HG2 THR 32 9.362 8.013 7.124 268 HG23 THR 32 2HG2 THR 32 7.791 7.292 7.472 269 H VAL 33 H VAL 33 8.541 6.440 4.385 270 HA VAL 33 HA VAL 33 5.963 5.020 4.582 271 HB VAL 33 HB VAL 33 8.457 4.210 3.066 272 HG11 VAL 33 1HG1 VAL 33 6.982 2.573 1.964 273 HG12 VAL 33 2HG1 VAL 33 5.661 3.059 3.024 274 HG13 VAL 33 3HG1 VAL 33 7.095 2.288 3.700 275 HG21 VAL 33 3HG2 VAL 33 5.892 5.428 2.025 276 HG22 VAL 33 1HG2 VAL 33 7.248 4.870 1.044 277 HG23 VAL 33 2HG2 VAL 33 7.453 6.243 2.133 278 H THR 34 H THR 34 5.684 3.314 5.886 279 HA THR 34 HA THR 34 7.924 1.720 6.824 280 HB THR 34 HB THR 34 7.802 3.385 8.609 281 HG1 THR 34 HG1 THR 34 8.060 1.841 10.037 282 HG21 THR 34 3HG2 THR 34 4.916 2.538 8.920 283 HG22 THR 34 1HG2 THR 34 5.477 4.101 8.327 284 HG23 THR 34 2HG2 THR 34 5.791 3.628 9.996 285 H TYR 35 H TYR 35 7.028 -0.212 8.160 286 HA TYR 35 HA TYR 35 4.311 -0.965 7.518 287 HB2 TYR 35 2HB TYR 35 5.042 -2.993 6.185 288 HB3 TYR 35 3HB TYR 35 5.221 -1.443 5.371 289 HD1 TYR 35 HD1 TYR 35 7.023 -4.252 6.922 290 HD2 TYR 35 HD2 TYR 35 7.417 -0.555 4.849 291 HE1 TYR 35 HE1 TYR 35 9.393 -4.751 6.496 292 HE2 TYR 35 HE2 TYR 35 9.787 -1.041 4.417 293 HH TYR 35 HH TYR 35 11.583 -2.399 5.328 294 H THR 36 H THR 36 3.667 -3.017 8.378 295 HA THR 36 HA THR 36 5.533 -4.243 10.312 296 HB THR 36 HB THR 36 4.079 -2.805 11.628 297 HG1 THR 36 HG1 THR 36 3.167 -4.421 12.989 298 HG21 THR 36 3HG2 THR 36 2.195 -2.629 10.070 299 HG22 THR 36 1HG2 THR 36 1.650 -3.106 11.678 300 HG23 THR 36 2HG2 THR 36 1.766 -4.309 10.395 301 H LEU 37 H LEU 37 5.538 -6.440 10.328 302 HA LEU 37 HA LEU 37 3.788 -7.784 8.394 303 HB2 LEU 37 2HB LEU 37 6.428 -8.507 9.641 304 HB3 LEU 37 3HB LEU 37 5.442 -9.732 8.868 305 HG LEU 37 HG LEU 37 7.153 -8.955 7.340 306 HD11 LEU 37 1HD1 LEU 37 4.428 -7.950 6.517 307 HD12 LEU 37 2HD1 LEU 37 4.994 -9.619 6.409 308 HD13 LEU 37 3HD1 LEU 37 5.762 -8.363 5.436 309 HD21 LEU 37 3HD2 LEU 37 5.951 -6.203 7.668 310 HD22 LEU 37 1HD2 LEU 37 7.209 -6.652 6.515 311 HD23 LEU 37 2HD2 LEU 37 7.532 -6.727 8.248 312 H ASP 38 H ASP 38 2.358 -9.358 8.917 313 HA ASP 38 HA ASP 38 2.443 -10.566 11.584 314 HB2 ASP 38 2HB ASP 38 0.908 -8.572 11.658 315 HB3 ASP 38 3HB ASP 38 -0.101 -9.366 10.454 316 H GLY 39 H GLY 39 3.049 -12.515 10.642 317 HA2 GLY 39 2HA GLY 39 2.743 -14.570 9.652 318 HA3 GLY 39 3HA GLY 39 1.024 -14.210 9.595 319 H ASN 40 H ASN 40 0.107 -13.612 7.678 320 HA ASN 40 HA ASN 40 1.904 -13.271 5.353 321 HB2 ASN 40 2HB ASN 40 -0.080 -14.076 3.997 322 HB3 ASN 40 3HB ASN 40 0.640 -15.282 5.064 323 HD21 ASN 40 1HD2 ASN 40 -0.469 -15.887 6.942 324 HD22 ASN 40 2HD2 ASN 40 -2.167 -15.613 7.113 325 H ASP 41 H ASP 41 0.471 -11.346 7.372 326 HA ASP 41 HA ASP 41 -0.884 -9.615 5.412 327 HB2 ASP 41 2HB ASP 41 -2.201 -10.156 7.396 328 HB3 ASP 41 3HB ASP 41 -0.913 -9.569 8.442 329 H LEU 42 H LEU 42 0.032 -7.771 4.748 330 HA LEU 42 HA LEU 42 2.358 -6.694 6.230 331 HB2 LEU 42 2HB LEU 42 3.147 -7.623 4.175 332 HB3 LEU 42 3HB LEU 42 1.855 -6.871 3.260 333 HG LEU 42 HG LEU 42 2.858 -4.641 3.760 334 HD11 LEU 42 1HD1 LEU 42 4.051 -5.201 5.799 335 HD12 LEU 42 2HD1 LEU 42 5.143 -4.516 4.597 336 HD13 LEU 42 3HD1 LEU 42 5.140 -6.253 4.894 337 HD21 LEU 42 3HD2 LEU 42 4.755 -4.875 2.200 338 HD22 LEU 42 1HD2 LEU 42 3.302 -5.699 1.636 339 HD23 LEU 42 2HD2 LEU 42 4.627 -6.629 2.336 340 H GLU 43 H GLU 43 1.311 -5.101 7.393 341 HA GLU 43 HA GLU 43 -0.480 -3.235 6.046 342 HB2 GLU 43 2HB GLU 43 -0.982 -4.052 8.341 343 HB3 GLU 43 3HB GLU 43 0.474 -3.257 8.923 344 HG2 GLU 43 2HG GLU 43 -0.434 -1.087 8.360 345 HG3 GLU 43 3HG GLU 43 -1.860 -1.838 7.643 346 H ILE 44 H ILE 44 0.408 -1.668 4.850 347 HA ILE 44 HA ILE 44 3.041 -0.578 5.593 348 HB ILE 44 HB ILE 44 1.539 -0.282 2.979 349 HG12 ILE 44 2HG1 ILE 44 3.874 -2.107 3.640 350 HG13 ILE 44 3HG1 ILE 44 2.204 -2.638 3.463 351 HG21 ILE 44 1HG2 ILE 44 3.096 1.542 3.362 352 HG22 ILE 44 2HG2 ILE 44 3.714 0.484 2.093 353 HG23 ILE 44 3HG2 ILE 44 4.392 0.398 3.719 354 HD11 ILE 44 3HD1 ILE 44 2.226 -1.921 1.129 355 HD12 ILE 44 1HD1 ILE 44 3.491 -3.103 1.463 356 HD13 ILE 44 2HD1 ILE 44 3.900 -1.394 1.308 357 H ARG 45 H ARG 45 2.996 1.268 6.729 358 HA ARG 45 HA ARG 45 0.843 3.214 6.328 359 HB2 ARG 45 2HB ARG 45 1.103 3.038 8.604 360 HB3 ARG 45 3HB ARG 45 2.808 2.644 8.494 361 HG2 ARG 45 2HG ARG 45 2.423 4.782 9.619 362 HG3 ARG 45 3HG ARG 45 3.367 4.976 8.144 363 HD2 ARG 45 2HD ARG 45 1.800 6.761 8.238 364 HD3 ARG 45 3HD ARG 45 1.263 5.659 6.978 365 HE ARG 45 HE ARG 45 -0.399 4.835 8.618 366 HH11 ARG 45 1HH1 ARG 45 1.030 7.936 9.066 367 HH12 ARG 45 2HH1 ARG 45 -0.334 8.556 9.931 368 HH21 ARG 45 1HH2 ARG 45 -2.160 5.649 9.672 369 HH22 ARG 45 2HH2 ARG 45 -2.116 7.276 10.276 370 H ILE 46 H ILE 46 1.101 4.805 4.907 371 HA ILE 46 HA ILE 46 3.794 6.004 4.595 372 HB ILE 46 HB ILE 46 1.593 5.977 2.512 373 HG12 ILE 46 2HG1 ILE 46 4.170 4.374 2.633 374 HG13 ILE 46 3HG1 ILE 46 2.545 3.724 2.833 375 HG21 ILE 46 1HG2 ILE 46 3.017 7.943 2.357 376 HG22 ILE 46 2HG2 ILE 46 3.353 6.852 1.014 377 HG23 ILE 46 3HG2 ILE 46 4.462 6.930 2.384 378 HD11 ILE 46 3HD1 ILE 46 2.019 4.322 0.533 379 HD12 ILE 46 1HD1 ILE 46 3.430 3.268 0.618 380 HD13 ILE 46 2HD1 ILE 46 3.637 4.996 0.331 381 H THR 47 H THR 47 3.874 7.913 5.614 382 HA THR 47 HA THR 47 1.427 9.560 5.827 383 HB THR 47 HB THR 47 3.988 9.755 7.443 384 HG1 THR 47 HG1 THR 47 3.034 8.518 8.905 385 HG21 THR 47 3HG2 THR 47 2.832 11.904 7.279 386 HG22 THR 47 1HG2 THR 47 2.690 11.247 8.909 387 HG23 THR 47 2HG2 THR 47 1.323 11.148 7.795 388 H GLY 48 H GLY 48 1.309 11.531 4.868 389 HA2 GLY 48 2HA GLY 48 2.465 13.659 4.421 390 HA3 GLY 48 3HA GLY 48 3.824 12.719 3.832 391 H VAL 49 H VAL 49 1.427 11.002 2.605 392 HA VAL 49 HA VAL 49 1.720 11.970 -0.026 393 HB VAL 49 HB VAL 49 -0.135 10.400 -0.617 394 HG11 VAL 49 1HG1 VAL 49 2.028 9.256 1.164 395 HG12 VAL 49 2HG1 VAL 49 2.189 9.645 -0.550 396 HG13 VAL 49 3HG1 VAL 49 1.095 8.360 -0.038 397 HG21 VAL 49 3HG2 VAL 49 -1.486 10.581 1.403 398 HG22 VAL 49 1HG2 VAL 49 -0.186 9.880 2.367 399 HG23 VAL 49 2HG2 VAL 49 -1.007 8.903 1.149 400 HA PRO 50 HA PRO 50 -1.190 15.339 -0.005 401 HB2 PRO 50 2HB PRO 50 -1.246 15.129 -2.940 402 HB3 PRO 50 3HB PRO 50 -0.632 16.432 -1.918 403 HG2 PRO 50 2HG PRO 50 1.013 14.816 -3.327 404 HG3 PRO 50 3HG PRO 50 1.471 15.485 -1.749 405 HD2 PRO 50 2HD PRO 50 0.467 12.741 -2.428 406 HD3 PRO 50 3HD PRO 50 1.776 13.221 -1.325 407 H GLU 51 H GLU 51 -3.355 15.734 -0.191 408 HA GLU 51 HA GLU 51 -5.254 13.780 -0.168 409 HB2 GLU 51 2HB GLU 51 -5.702 16.065 0.523 410 HB3 GLU 51 3HB GLU 51 -5.533 16.634 -1.131 411 HG2 GLU 51 2HG GLU 51 -7.523 15.235 -1.734 412 HG3 GLU 51 3HG GLU 51 -7.729 14.894 -0.015 413 H GLN 52 H GLN 52 -4.427 15.738 -3.054 414 HA GLN 52 HA GLN 52 -6.292 14.591 -4.793 415 HB2 GLN 52 2HB GLN 52 -4.972 15.553 -6.604 416 HB3 GLN 52 3HB GLN 52 -5.102 16.685 -5.264 417 HG2 GLN 52 2HG GLN 52 -2.834 16.014 -4.526 418 HG3 GLN 52 3HG GLN 52 -2.712 14.976 -5.945 419 HE21 GLN 52 1HE2 GLN 52 -1.060 17.229 -5.196 420 HE22 GLN 52 2HE2 GLN 52 -1.168 18.366 -6.490 421 H VAL 53 H VAL 53 -3.162 13.385 -3.797 422 HA VAL 53 HA VAL 53 -2.883 11.537 -5.999 423 HB VAL 53 HB VAL 53 -1.309 11.674 -3.412 424 HG11 VAL 53 1HG1 VAL 53 -0.670 10.346 -6.053 425 HG12 VAL 53 2HG1 VAL 53 -1.025 9.531 -4.529 426 HG13 VAL 53 3HG1 VAL 53 0.442 10.494 -4.691 427 HG21 VAL 53 3HG2 VAL 53 0.346 12.944 -4.717 428 HG22 VAL 53 1HG2 VAL 53 -1.199 13.789 -4.613 429 HG23 VAL 53 2HG2 VAL 53 -0.751 12.948 -6.096 430 H ARG 54 H ARG 54 -4.491 11.503 -2.981 431 HA ARG 54 HA ARG 54 -4.563 8.912 -2.101 432 HB2 ARG 54 2HB ARG 54 -5.786 10.577 -0.932 433 HB3 ARG 54 3HB ARG 54 -6.737 10.988 -2.347 434 HG2 ARG 54 2HG ARG 54 -8.097 9.821 -0.735 435 HG3 ARG 54 3HG ARG 54 -7.909 8.836 -2.185 436 HD2 ARG 54 2HD ARG 54 -6.239 7.467 -1.073 437 HD3 ARG 54 3HD ARG 54 -6.302 8.505 0.352 438 HE ARG 54 HE ARG 54 -8.359 7.576 0.926 439 HH11 ARG 54 1HH1 ARG 54 -7.303 6.364 -2.112 440 HH12 ARG 54 2HH1 ARG 54 -8.392 5.023 -2.076 441 HH21 ARG 54 1HH2 ARG 54 -9.745 5.820 0.964 442 HH22 ARG 54 2HH2 ARG 54 -9.732 4.706 -0.360 443 H LYS 55 H LYS 55 -6.172 10.224 -4.923 444 HA LYS 55 HA LYS 55 -7.878 8.047 -5.504 445 HB2 LYS 55 2HB LYS 55 -6.734 10.121 -7.392 446 HB3 LYS 55 3HB LYS 55 -8.171 9.141 -7.670 447 HG2 LYS 55 2HG LYS 55 -9.398 10.276 -6.004 448 HG3 LYS 55 3HG LYS 55 -7.949 11.017 -5.327 449 HD2 LYS 55 2HD LYS 55 -9.210 12.662 -6.587 450 HD3 LYS 55 3HD LYS 55 -7.675 12.337 -7.390 451 HE2 LYS 55 2HE LYS 55 -8.822 10.848 -8.967 452 HE3 LYS 55 3HE LYS 55 -10.356 11.180 -8.162 453 HZ1 LYS 55 3HZ LYS 55 -8.660 13.157 -9.587 454 HZ2 LYS 55 1HZ LYS 55 -10.086 13.524 -8.755 455 HZ3 LYS 55 2HZ LYS 55 -10.135 12.531 -10.116 456 H GLU 56 H GLU 56 -4.766 8.989 -7.013 457 HA GLU 56 HA GLU 56 -4.603 6.754 -8.729 458 HB2 GLU 56 2HB GLU 56 -2.471 8.643 -7.714 459 HB3 GLU 56 3HB GLU 56 -2.163 7.407 -8.926 460 HG2 GLU 56 2HG GLU 56 -4.120 9.688 -9.190 461 HG3 GLU 56 3HG GLU 56 -2.524 9.601 -9.935 462 H LEU 57 H LEU 57 -3.362 7.290 -5.456 463 HA LEU 57 HA LEU 57 -1.744 5.003 -5.242 464 HB2 LEU 57 2HB LEU 57 -3.327 6.424 -3.095 465 HB3 LEU 57 3HB LEU 57 -2.092 5.219 -2.785 466 HG LEU 57 HG LEU 57 -1.637 7.904 -4.095 467 HD11 LEU 57 1HD1 LEU 57 -0.446 8.479 -2.053 468 HD12 LEU 57 2HD1 LEU 57 -0.849 6.908 -1.359 469 HD13 LEU 57 3HD1 LEU 57 -2.126 8.076 -1.703 470 HD21 LEU 57 3HD2 LEU 57 0.746 7.356 -3.939 471 HD22 LEU 57 1HD2 LEU 57 -0.113 6.210 -4.968 472 HD23 LEU 57 2HD2 LEU 57 0.337 5.752 -3.325 473 H ALA 58 H ALA 58 -5.197 5.435 -4.485 474 HA ALA 58 HA ALA 58 -5.683 2.802 -3.579 475 HB1 ALA 58 3HB ALA 58 -7.219 4.665 -3.176 476 HB2 ALA 58 1HB ALA 58 -8.042 3.302 -3.931 477 HB3 ALA 58 2HB ALA 58 -7.612 4.716 -4.893 478 H LYS 59 H LYS 59 -6.057 4.274 -6.791 479 HA LYS 59 HA LYS 59 -7.009 1.976 -8.127 480 HB2 LYS 59 2HB LYS 59 -7.189 4.278 -9.008 481 HB3 LYS 59 3HB LYS 59 -5.447 4.324 -9.235 482 HG2 LYS 59 2HG LYS 59 -5.620 2.501 -10.871 483 HG3 LYS 59 3HG LYS 59 -7.369 2.477 -10.651 484 HD2 LYS 59 2HD LYS 59 -6.709 3.734 -12.662 485 HD3 LYS 59 3HD LYS 59 -7.536 4.759 -11.486 486 HE2 LYS 59 2HE LYS 59 -5.392 5.643 -10.724 487 HE3 LYS 59 3HE LYS 59 -4.539 4.575 -11.839 488 HZ1 LYS 59 3HZ LYS 59 -4.780 6.883 -12.636 489 HZ2 LYS 59 1HZ LYS 59 -6.460 6.675 -12.684 490 HZ3 LYS 59 2HZ LYS 59 -5.465 5.740 -13.687 491 H GLU 60 H GLU 60 -3.762 3.073 -7.364 492 HA GLU 60 HA GLU 60 -2.373 1.191 -9.009 493 HB2 GLU 60 2HB GLU 60 -1.396 3.325 -8.149 494 HB3 GLU 60 3HB GLU 60 -1.387 2.634 -6.532 495 HG2 GLU 60 2HG GLU 60 0.819 2.490 -7.468 496 HG3 GLU 60 3HG GLU 60 0.147 0.866 -7.334 497 H ALA 61 H ALA 61 -3.137 1.292 -5.523 498 HA ALA 61 HA ALA 61 -1.911 -1.065 -4.713 499 HB1 ALA 61 3HB ALA 61 -2.846 0.594 -3.169 500 HB2 ALA 61 1HB ALA 61 -3.414 -1.035 -2.796 501 HB3 ALA 61 2HB ALA 61 -4.477 0.102 -3.628 502 H GLU 62 H GLU 62 -5.198 -0.648 -6.019 503 HA GLU 62 HA GLU 62 -6.102 -3.283 -5.787 504 HB2 GLU 62 2HB GLU 62 -6.722 -1.070 -7.730 505 HB3 GLU 62 3HB GLU 62 -7.473 -2.650 -7.904 506 HG2 GLU 62 2HG GLU 62 -7.618 -1.079 -5.345 507 HG3 GLU 62 3HG GLU 62 -8.783 -0.873 -6.652 508 H ARG 63 H ARG 63 -4.375 -1.756 -8.503 509 HA ARG 63 HA ARG 63 -4.239 -4.054 -10.131 510 HB2 ARG 63 2HB ARG 63 -3.855 -1.707 -10.895 511 HB3 ARG 63 3HB ARG 63 -2.307 -1.720 -10.063 512 HG2 ARG 63 2HG ARG 63 -2.706 -3.931 -11.969 513 HG3 ARG 63 3HG ARG 63 -2.673 -2.324 -12.690 514 HD2 ARG 63 2HD ARG 63 -0.544 -3.467 -10.874 515 HD3 ARG 63 3HD ARG 63 -0.449 -3.392 -12.634 516 HE ARG 63 HE ARG 63 -0.265 -1.139 -10.775 517 HH11 ARG 63 1HH1 ARG 63 -0.268 -2.265 -14.043 518 HH12 ARG 63 2HH1 ARG 63 0.439 -0.810 -14.650 519 HH21 ARG 63 1HH2 ARG 63 0.626 0.711 -11.574 520 HH22 ARG 63 2HH2 ARG 63 0.949 0.852 -13.270 521 H LEU 64 H LEU 64 -2.096 -2.829 -7.598 522 HA LEU 64 HA LEU 64 0.000 -4.696 -7.907 523 HB2 LEU 64 2HB LEU 64 -0.982 -3.200 -5.472 524 HB3 LEU 64 3HB LEU 64 0.476 -4.174 -5.480 525 HG LEU 64 HG LEU 64 0.019 -1.753 -7.242 526 HD11 LEU 64 1HD1 LEU 64 1.590 -0.600 -5.777 527 HD12 LEU 64 2HD1 LEU 64 1.692 -2.022 -4.739 528 HD13 LEU 64 3HD1 LEU 64 0.175 -1.133 -4.870 529 HD21 LEU 64 3HD2 LEU 64 2.494 -3.410 -6.729 530 HD22 LEU 64 1HD2 LEU 64 2.411 -1.950 -7.719 531 HD23 LEU 64 2HD2 LEU 64 1.542 -3.402 -8.215 532 H ALA 65 H ALA 65 -2.960 -4.812 -5.948 533 HA ALA 65 HA ALA 65 -2.350 -7.280 -4.672 534 HB1 ALA 65 3HB ALA 65 -3.899 -5.643 -3.720 535 HB2 ALA 65 1HB ALA 65 -4.655 -7.229 -3.887 536 HB3 ALA 65 2HB ALA 65 -5.031 -5.944 -5.037 537 H LYS 66 H LYS 66 -4.642 -6.511 -7.313 538 HA LYS 66 HA LYS 66 -5.464 -9.165 -7.767 539 HB2 LYS 66 2HB LYS 66 -5.512 -6.734 -9.560 540 HB3 LYS 66 3HB LYS 66 -6.258 -8.270 -9.992 541 HG2 LYS 66 2HG LYS 66 -7.718 -8.128 -8.048 542 HG3 LYS 66 3HG LYS 66 -6.952 -6.612 -7.569 543 HD2 LYS 66 2HD LYS 66 -7.801 -5.488 -9.505 544 HD3 LYS 66 3HD LYS 66 -8.365 -7.006 -10.208 545 HE2 LYS 66 2HE LYS 66 -10.214 -5.723 -9.243 546 HE3 LYS 66 3HE LYS 66 -9.987 -7.258 -8.409 547 HZ1 LYS 66 3HZ LYS 66 -9.163 -4.569 -7.455 548 HZ2 LYS 66 1HZ LYS 66 -8.729 -6.015 -6.692 549 HZ3 LYS 66 2HZ LYS 66 -10.353 -5.569 -6.798 550 H GLU 67 H GLU 67 -2.728 -7.353 -9.036 551 HA GLU 67 HA GLU 67 -1.906 -8.976 -11.124 552 HB2 GLU 67 2HB GLU 67 -0.811 -6.864 -10.547 553 HB3 GLU 67 3HB GLU 67 -0.191 -7.569 -9.062 554 HG2 GLU 67 2HG GLU 67 1.523 -7.415 -10.804 555 HG3 GLU 67 3HG GLU 67 1.218 -9.082 -10.318 556 H PHE 68 H PHE 68 -1.433 -9.461 -7.644 557 HA PHE 68 HA PHE 68 -0.309 -12.138 -8.205 558 HB2 PHE 68 2HB PHE 68 0.001 -10.398 -5.745 559 HB3 PHE 68 3HB PHE 68 0.669 -12.019 -5.924 560 HD1 PHE 68 HD1 PHE 68 2.497 -12.442 -7.508 561 HD2 PHE 68 HD2 PHE 68 1.028 -8.505 -6.823 562 HE1 PHE 68 HE1 PHE 68 4.509 -11.510 -8.567 563 HE2 PHE 68 HE2 PHE 68 3.042 -7.568 -7.880 564 HZ PHE 68 HZ PHE 68 4.784 -9.073 -8.754 565 H ASN 69 H ASN 69 -3.211 -10.989 -7.729 566 HA ASN 69 HA ASN 69 -5.188 -11.809 -6.951 567 HB2 ASN 69 2HB ASN 69 -4.334 -13.848 -8.101 568 HB3 ASN 69 3HB ASN 69 -3.618 -14.381 -6.585 569 HD21 ASN 69 1HD2 ASN 69 -4.846 -16.263 -6.625 570 HD22 ASN 69 2HD2 ASN 69 -6.530 -16.262 -6.247 571 H ILE 70 H ILE 70 -3.176 -10.677 -5.004 572 HA ILE 70 HA ILE 70 -3.897 -12.053 -2.519 573 HB ILE 70 HB ILE 70 -2.328 -10.524 -1.403 574 HG12 ILE 70 2HG1 ILE 70 -1.840 -9.408 -4.183 575 HG13 ILE 70 3HG1 ILE 70 -2.626 -8.555 -2.859 576 HG21 ILE 70 1HG2 ILE 70 -0.259 -11.381 -2.431 577 HG22 ILE 70 2HG2 ILE 70 -1.182 -11.879 -3.849 578 HG23 ILE 70 3HG2 ILE 70 -1.492 -12.633 -2.286 579 HD11 ILE 70 3HD1 ILE 70 -0.539 -8.662 -1.574 580 HD12 ILE 70 1HD1 ILE 70 -0.346 -7.816 -3.111 581 HD13 ILE 70 2HD1 ILE 70 0.240 -9.470 -2.936 582 H THR 71 H THR 71 -4.405 -10.526 -0.602 583 HA THR 71 HA THR 71 -6.730 -8.912 -1.410 584 HB THR 71 HB THR 71 -5.911 -9.864 1.351 585 HG1 THR 71 HG1 THR 71 -6.949 -11.238 -0.647 586 HG21 THR 71 3HG2 THR 71 -7.324 -7.872 1.469 587 HG22 THR 71 1HG2 THR 71 -8.225 -9.297 1.991 588 HG23 THR 71 2HG2 THR 71 -8.495 -8.623 0.384 589 H VAL 72 H VAL 72 -7.070 -6.750 -0.698 590 HA VAL 72 HA VAL 72 -4.934 -5.428 0.801 591 HB VAL 72 HB VAL 72 -4.257 -5.184 -1.561 592 HG11 VAL 72 1HG1 VAL 72 -6.882 -3.726 -1.903 593 HG12 VAL 72 2HG1 VAL 72 -6.439 -5.270 -2.634 594 HG13 VAL 72 3HG1 VAL 72 -5.586 -3.796 -3.097 595 HG21 VAL 72 3HG2 VAL 72 -3.652 -3.437 0.029 596 HG22 VAL 72 1HG2 VAL 72 -5.171 -2.596 -0.288 597 HG23 VAL 72 2HG2 VAL 72 -3.961 -2.746 -1.564 598 H THR 73 H THR 73 -5.709 -3.920 2.197 599 HA THR 73 HA THR 73 -8.304 -2.626 1.607 600 HB THR 73 HB THR 73 -8.963 -2.705 3.968 601 HG1 THR 73 HG1 THR 73 -7.753 -4.044 5.409 602 HG21 THR 73 3HG2 THR 73 -9.458 -5.113 4.153 603 HG22 THR 73 1HG2 THR 73 -8.311 -5.442 2.855 604 HG23 THR 73 2HG2 THR 73 -9.768 -4.504 2.528 605 H TYR 74 H TYR 74 -8.638 -0.655 3.105 606 HA TYR 74 HA TYR 74 -6.069 0.795 3.336 607 HB2 TYR 74 2HB TYR 74 -8.639 2.073 2.389 608 HB3 TYR 74 3HB TYR 74 -7.010 2.734 2.317 609 HD1 TYR 74 HD2 TYR 74 -5.359 1.738 0.687 610 HD2 TYR 74 HD1 TYR 74 -9.492 0.716 0.651 611 HE1 TYR 74 HE2 TYR 74 -5.119 0.866 -1.600 612 HE2 TYR 74 HE1 TYR 74 -9.262 -0.159 -1.632 613 HH TYR 74 HH TYR 74 -6.338 -0.831 -3.068 614 H THR 75 H THR 75 -5.857 2.263 5.001 615 HA THR 75 HA THR 75 -8.188 2.870 6.689 616 HB THR 75 HB THR 75 -5.521 1.904 7.772 617 HG1 THR 75 HG1 THR 75 -6.538 0.066 8.200 618 HG21 THR 75 3HG2 THR 75 -6.374 3.692 9.183 619 HG22 THR 75 1HG2 THR 75 -6.579 2.144 10.003 620 HG23 THR 75 2HG2 THR 75 -7.963 2.928 9.241 621 H ILE 76 H ILE 76 -8.342 5.034 6.952 622 HA ILE 76 HA ILE 76 -5.866 6.645 7.024 623 HB ILE 76 HB ILE 76 -8.354 7.293 5.422 624 HG12 ILE 76 2HG1 ILE 76 -5.486 6.784 4.571 625 HG13 ILE 76 3HG1 ILE 76 -6.846 5.693 4.323 626 HG21 ILE 76 1HG2 ILE 76 -7.184 9.357 4.752 627 HG22 ILE 76 2HG2 ILE 76 -5.893 8.985 5.894 628 HG23 ILE 76 3HG2 ILE 76 -7.521 9.317 6.483 629 HD11 ILE 76 3HD1 ILE 76 -6.521 8.426 3.103 630 HD12 ILE 76 1HD1 ILE 76 -7.890 7.342 2.853 631 HD13 ILE 76 2HD1 ILE 76 -6.284 6.881 2.290 632 H ARG 77 H ARG 77 -5.780 8.061 8.681 633 HA ARG 77 HA ARG 77 -8.126 8.576 10.316 634 HB2 ARG 77 2HB ARG 77 -5.343 9.768 10.539 635 HB3 ARG 77 3HB ARG 77 -6.616 9.859 11.750 636 HG2 ARG 77 2HG ARG 77 -6.522 7.342 11.888 637 HG3 ARG 77 3HG ARG 77 -5.080 7.418 10.874 638 HD2 ARG 77 2HD ARG 77 -5.427 8.730 13.576 639 HD3 ARG 77 3HD ARG 77 -4.496 7.268 13.249 640 HE ARG 77 HE ARG 77 -3.483 9.289 11.616 641 HH11 ARG 77 1HH1 ARG 77 -3.735 8.592 14.986 642 HH12 ARG 77 2HH1 ARG 77 -2.307 9.479 15.380 643 HH21 ARG 77 1HH2 ARG 77 -1.650 10.386 12.132 644 HH22 ARG 77 2HH2 ARG 77 -1.131 10.484 13.781 645 H LEU 78 H LEU 78 -9.572 9.839 9.191 646 HA LEU 78 HA LEU 78 -8.532 12.244 7.825 647 HB2 LEU 78 2HB LEU 78 -9.640 10.399 6.470 648 HB3 LEU 78 3HB LEU 78 -11.143 10.820 7.261 649 HG LEU 78 HG LEU 78 -10.828 11.743 4.934 650 HD11 LEU 78 1HD1 LEU 78 -11.760 13.930 5.420 651 HD12 LEU 78 2HD1 LEU 78 -11.228 13.806 7.096 652 HD13 LEU 78 3HD1 LEU 78 -12.463 12.708 6.480 653 HD21 LEU 78 3HD2 LEU 78 -8.830 13.557 6.282 654 HD22 LEU 78 1HD2 LEU 78 -9.394 13.670 4.614 655 HD23 LEU 78 2HD2 LEU 78 -8.441 12.277 5.129 656 H GLU 79 H GLU 79 -8.908 14.086 8.853 657 HA GLU 79 HA GLU 79 -11.207 14.375 10.644 658 HB2 GLU 79 2HB GLU 79 -9.039 15.145 11.458 659 HB3 GLU 79 3HB GLU 79 -8.859 16.198 10.061 660 HG2 GLU 79 2HG GLU 79 -10.784 17.521 10.811 661 HG3 GLU 79 3HG GLU 79 -10.957 16.470 12.215 662 H HIS 80 H HIS 80 -13.018 15.506 10.105 663 HA HIS 80 HA HIS 80 -12.914 17.298 7.773 664 HB2 HIS 80 2HB HIS 80 -15.101 16.403 6.982 665 HB3 HIS 80 3HB HIS 80 -13.789 15.236 6.884 666 HD1 HIS 80 HD1 HIS 80 -17.150 15.704 8.233 667 HD2 HIS 80 HD2 HIS 80 -13.911 13.210 8.975 668 HE1 HIS 80 HE1 HIS 80 -18.069 13.786 9.559 669 HE2 HIS 80 HE2 HIS 80 -16.138 12.200 9.811 670 H HIS 81 H HIS 81 -14.034 19.144 7.961 671 HA HIS 81 HA HIS 81 -14.944 19.905 10.566 672 HB2 HIS 81 2HB HIS 81 -13.729 21.439 9.040 673 HB3 HIS 81 3HB HIS 81 -15.106 21.422 7.944 674 HD1 HIS 81 HD1 HIS 81 -13.972 22.785 11.247 675 HD2 HIS 81 HD2 HIS 81 -17.258 23.046 8.716 676 HE1 HIS 81 HE1 HIS 81 -15.344 24.696 12.120 677 HE2 HIS 81 HE2 HIS 81 -17.353 24.798 10.614 678 H HIS 82 H HIS 82 -17.002 20.217 11.332 679 HA HIS 82 HA HIS 82 -19.180 18.949 9.981 680 HB2 HIS 82 2HB HIS 82 -19.255 20.758 12.413 681 HB3 HIS 82 3HB HIS 82 -20.544 19.682 11.879 682 HD1 HIS 82 HD1 HIS 82 -17.417 19.760 13.832 683 HD2 HIS 82 HD2 HIS 82 -19.947 16.888 12.205 684 HE1 HIS 82 HE1 HIS 82 -16.775 17.596 14.932 685 HE2 HIS 82 HE2 HIS 82 -18.328 15.875 13.948 686 H HIS 83 H HIS 83 -19.430 19.960 8.025 687 HA HIS 83 HA HIS 83 -19.540 22.811 7.763 688 HB2 HIS 83 2HB HIS 83 -20.107 22.233 5.335 689 HB3 HIS 83 3HB HIS 83 -18.541 21.715 5.947 690 HD1 HIS 83 HD1 HIS 83 -18.096 19.196 6.095 691 HD2 HIS 83 HD2 HIS 83 -21.938 20.126 4.802 692 HE1 HIS 83 HE1 HIS 83 -19.054 17.050 5.227 693 HE2 HIS 83 HE2 HIS 83 -21.313 17.661 4.323 694 H HIS 84 H HIS 84 -21.326 23.137 9.257 695 HA HIS 84 HA HIS 84 -23.626 23.901 7.780 696 HB2 HIS 84 2HB HIS 84 -24.020 21.382 8.263 697 HB3 HIS 84 3HB HIS 84 -24.286 21.885 9.931 698 HD1 HIS 84 HD1 HIS 84 -26.524 22.936 10.485 699 HD2 HIS 84 HD2 HIS 84 -25.971 22.382 6.406 700 HE1 HIS 84 HE1 HIS 84 -28.735 23.452 9.432 701 HE2 HIS 84 HE2 HIS 84 -28.328 23.278 6.962 702 H HIS 85 H HIS 85 -21.547 24.837 9.696 703 HA HIS 85 HA HIS 85 -23.315 26.100 11.701 704 HB2 HIS 85 2HB HIS 85 -20.410 25.293 12.015 705 HB3 HIS 85 3HB HIS 85 -21.323 26.229 13.195 706 HD1 HIS 85 HD1 HIS 85 -20.355 22.864 12.476 707 HD2 HIS 85 HD2 HIS 85 -23.729 24.670 14.103 708 HE1 HIS 85 HE1 HIS 85 -21.556 21.048 13.727 709 HE2 HIS 85 HE2 HIS 85 -23.497 22.202 14.837 Start of MODEL 9 1 H1 MET 1 1H MET 1 -3.623 14.644 6.308 2 H2 MET 1 2H MET 1 -4.523 15.526 5.190 3 H3 MET 1 3H MET 1 -2.849 15.388 5.003 4 HA MET 1 HA MET 1 -4.877 13.246 4.729 5 HB2 MET 1 2HB MET 1 -2.878 14.397 2.761 6 HB3 MET 1 3HB MET 1 -3.999 13.083 2.426 7 HG2 MET 1 2HG MET 1 -4.786 15.906 3.139 8 HG3 MET 1 3HG MET 1 -4.763 15.228 1.512 9 HE1 MET 1 3HE MET 1 -6.467 13.480 0.596 10 HE2 MET 1 1HE MET 1 -7.623 12.610 1.604 11 HE3 MET 1 2HE MET 1 -5.893 12.341 1.815 12 H GLU 2 H GLU 2 -4.200 11.440 5.713 13 HA GLU 2 HA GLU 2 -1.395 10.588 5.444 14 HB2 GLU 2 2HB GLU 2 -2.112 11.834 7.676 15 HB3 GLU 2 3HB GLU 2 -2.777 10.264 8.091 16 HG2 GLU 2 2HG GLU 2 0.035 10.362 7.149 17 HG3 GLU 2 3HG GLU 2 -0.314 11.006 8.749 18 H MET 3 H MET 3 -1.160 8.318 5.195 19 HA MET 3 HA MET 3 -3.769 7.050 4.577 20 HB2 MET 3 2HB MET 3 -2.552 7.895 2.614 21 HB3 MET 3 3HB MET 3 -1.169 6.901 3.042 22 HG2 MET 3 2HG MET 3 -2.390 5.862 1.257 23 HG3 MET 3 3HG MET 3 -2.548 4.886 2.716 24 HE1 MET 3 3HE MET 3 -4.420 4.877 -0.040 25 HE2 MET 3 1HE MET 3 -5.980 4.537 0.706 26 HE3 MET 3 2HE MET 3 -4.539 3.675 1.246 27 H ASP 4 H ASP 4 -4.156 5.243 5.729 28 HA ASP 4 HA ASP 4 -1.953 3.449 6.481 29 HB2 ASP 4 2HB ASP 4 -4.897 3.419 7.211 30 HB3 ASP 4 3HB ASP 4 -3.722 2.234 7.769 31 H ILE 5 H ILE 5 -1.440 1.782 5.156 32 HA ILE 5 HA ILE 5 -3.578 0.503 3.554 33 HB ILE 5 HB ILE 5 -0.712 0.954 2.665 34 HG12 ILE 5 2HG1 ILE 5 -3.306 2.151 1.641 35 HG13 ILE 5 3HG1 ILE 5 -2.079 3.003 2.571 36 HG21 ILE 5 1HG2 ILE 5 -3.016 -0.362 1.209 37 HG22 ILE 5 2HG2 ILE 5 -1.593 -1.180 1.857 38 HG23 ILE 5 3HG2 ILE 5 -1.420 -0.034 0.528 39 HD11 ILE 5 3HD1 ILE 5 -1.939 3.558 0.218 40 HD12 ILE 5 1HD1 ILE 5 -1.727 1.855 -0.191 41 HD13 ILE 5 2HD1 ILE 5 -0.489 2.700 0.739 42 H ARG 6 H ARG 6 -3.573 -1.747 3.500 43 HA ARG 6 HA ARG 6 -1.371 -3.162 4.855 44 HB2 ARG 6 2HB ARG 6 -4.312 -3.424 5.532 45 HB3 ARG 6 3HB ARG 6 -3.060 -4.515 6.116 46 HG2 ARG 6 2HG ARG 6 -2.015 -2.776 7.370 47 HG3 ARG 6 3HG ARG 6 -3.030 -1.545 6.619 48 HD2 ARG 6 2HD ARG 6 -4.987 -2.403 7.733 49 HD3 ARG 6 3HD ARG 6 -4.074 -3.775 8.364 50 HE ARG 6 HE ARG 6 -2.909 -2.283 9.814 51 HH11 ARG 6 1HH1 ARG 6 -5.519 -0.798 8.114 52 HH12 ARG 6 2HH1 ARG 6 -5.666 0.499 9.249 53 HH21 ARG 6 1HH2 ARG 6 -3.097 -0.600 11.249 54 HH22 ARG 6 2HH2 ARG 6 -4.303 0.614 10.995 55 H PHE 7 H PHE 7 -0.662 -4.786 3.624 56 HA PHE 7 HA PHE 7 -2.443 -5.971 1.599 57 HB2 PHE 7 2HB PHE 7 0.562 -5.945 1.909 58 HB3 PHE 7 3HB PHE 7 -0.254 -6.997 0.760 59 HD1 PHE 7 HD2 PHE 7 0.532 -3.494 1.596 60 HD2 PHE 7 HD1 PHE 7 -1.193 -6.137 -1.270 61 HE1 PHE 7 HE2 PHE 7 0.544 -1.689 -0.080 62 HE2 PHE 7 HE1 PHE 7 -1.179 -4.334 -2.944 63 HZ PHE 7 HZ PHE 7 -0.307 -2.108 -2.352 64 H ARG 8 H ARG 8 -2.870 -8.157 1.497 65 HA ARG 8 HA ARG 8 -1.520 -9.981 3.358 66 HB2 ARG 8 2HB ARG 8 -3.606 -9.294 4.499 67 HB3 ARG 8 3HB ARG 8 -4.535 -9.798 3.096 68 HG2 ARG 8 2HG ARG 8 -3.789 -12.114 3.426 69 HG3 ARG 8 3HG ARG 8 -2.870 -11.611 4.846 70 HD2 ARG 8 2HD ARG 8 -5.860 -11.311 4.534 71 HD3 ARG 8 3HD ARG 8 -5.069 -12.637 5.387 72 HE ARG 8 HE ARG 8 -4.066 -10.448 6.606 73 HH11 ARG 8 1HH1 ARG 8 -7.282 -11.488 5.932 74 HH12 ARG 8 2HH1 ARG 8 -7.938 -10.703 7.324 75 HH21 ARG 8 1HH2 ARG 8 -4.894 -9.490 8.386 76 HH22 ARG 8 2HH2 ARG 8 -6.592 -9.567 8.710 77 H GLY 9 H GLY 9 -0.990 -11.888 2.367 78 HA2 GLY 9 2HA GLY 9 -2.585 -13.363 0.658 79 HA3 GLY 9 3HA GLY 9 -1.694 -12.273 -0.385 80 H ASP 10 H ASP 10 -0.493 -13.779 -1.437 81 HA ASP 10 HA ASP 10 1.542 -15.216 0.110 82 HB2 ASP 10 2HB ASP 10 -0.373 -16.755 -0.255 83 HB3 ASP 10 3HB ASP 10 -0.223 -16.513 -1.992 84 H ASP 11 H ASP 11 3.124 -16.320 -1.499 85 HA ASP 11 HA ASP 11 4.488 -16.360 -3.323 86 HB2 ASP 11 2HB ASP 11 2.601 -15.752 -4.789 87 HB3 ASP 11 3HB ASP 11 2.873 -14.049 -4.430 88 H LEU 12 H LEU 12 6.517 -15.558 -3.575 89 HA LEU 12 HA LEU 12 7.404 -13.610 -1.707 90 HB2 LEU 12 2HB LEU 12 8.769 -15.528 -2.390 91 HB3 LEU 12 3HB LEU 12 8.877 -14.883 -4.016 92 HG LEU 12 HG LEU 12 10.126 -12.929 -3.147 93 HD11 LEU 12 1HD1 LEU 12 9.989 -14.390 -0.509 94 HD12 LEU 12 2HD1 LEU 12 9.242 -12.839 -0.891 95 HD13 LEU 12 3HD1 LEU 12 11.000 -12.985 -0.846 96 HD21 LEU 12 3HD2 LEU 12 12.216 -14.109 -2.686 97 HD22 LEU 12 1HD2 LEU 12 11.328 -14.885 -3.997 98 HD23 LEU 12 2HD2 LEU 12 11.322 -15.599 -2.385 99 H GLU 13 H GLU 13 7.230 -13.554 -5.289 100 HA GLU 13 HA GLU 13 8.261 -10.960 -5.611 101 HB2 GLU 13 2HB GLU 13 6.345 -12.508 -7.358 102 HB3 GLU 13 3HB GLU 13 7.038 -10.959 -7.814 103 HG2 GLU 13 2HG GLU 13 9.305 -12.003 -7.564 104 HG3 GLU 13 3HG GLU 13 8.490 -13.556 -7.354 105 H ALA 14 H ALA 14 4.982 -12.076 -4.943 106 HA ALA 14 HA ALA 14 3.557 -9.724 -5.317 107 HB1 ALA 14 3HB ALA 14 2.512 -11.859 -4.723 108 HB2 ALA 14 1HB ALA 14 1.983 -10.567 -3.647 109 HB3 ALA 14 2HB ALA 14 3.182 -11.739 -3.097 110 H PHE 15 H PHE 15 5.426 -10.745 -2.468 111 HA PHE 15 HA PHE 15 4.934 -8.441 -0.902 112 HB2 PHE 15 2HB PHE 15 5.725 -10.364 0.237 113 HB3 PHE 15 3HB PHE 15 7.099 -10.543 -0.849 114 HD1 PHE 15 HD2 PHE 15 5.697 -7.947 1.469 115 HD2 PHE 15 HD1 PHE 15 9.159 -9.966 0.008 116 HE1 PHE 15 HE2 PHE 15 7.102 -6.664 3.026 117 HE2 PHE 15 HE1 PHE 15 10.565 -8.679 1.564 118 HZ PHE 15 HZ PHE 15 9.539 -7.026 3.076 119 H GLU 16 H GLU 16 7.881 -9.309 -2.777 120 HA GLU 16 HA GLU 16 9.192 -6.880 -2.156 121 HB2 GLU 16 2HB GLU 16 10.878 -7.538 -3.798 122 HB3 GLU 16 3HB GLU 16 10.447 -8.886 -2.756 123 HG2 GLU 16 2HG GLU 16 9.168 -9.917 -4.482 124 HG3 GLU 16 3HG GLU 16 9.286 -8.486 -5.506 125 H LYS 17 H LYS 17 7.337 -7.843 -5.037 126 HA LYS 17 HA LYS 17 8.010 -5.499 -6.526 127 HB2 LYS 17 2HB LYS 17 5.723 -7.439 -6.925 128 HB3 LYS 17 3HB LYS 17 6.232 -6.219 -8.083 129 HG2 LYS 17 2HG LYS 17 7.887 -8.564 -7.144 130 HG3 LYS 17 3HG LYS 17 7.051 -8.435 -8.692 131 HD2 LYS 17 2HD LYS 17 8.449 -6.491 -9.271 132 HD3 LYS 17 3HD LYS 17 9.298 -6.651 -7.731 133 HE2 LYS 17 2HE LYS 17 10.601 -7.651 -9.524 134 HE3 LYS 17 3HE LYS 17 10.061 -8.894 -8.398 135 HZ1 LYS 17 3HZ LYS 17 8.332 -9.521 -9.931 136 HZ2 LYS 17 1HZ LYS 17 9.817 -9.547 -10.738 137 HZ3 LYS 17 2HZ LYS 17 8.741 -8.264 -10.986 138 H ALA 18 H ALA 18 5.081 -6.440 -4.681 139 HA ALA 18 HA ALA 18 3.623 -4.080 -5.178 140 HB1 ALA 18 3HB ALA 18 2.281 -4.685 -3.223 141 HB2 ALA 18 1HB ALA 18 3.498 -5.871 -2.747 142 HB3 ALA 18 2HB ALA 18 2.591 -6.090 -4.243 143 H LEU 19 H LEU 19 5.733 -4.927 -2.411 144 HA LEU 19 HA LEU 19 5.587 -2.482 -1.057 145 HB2 LEU 19 2HB LEU 19 6.593 -4.520 -0.108 146 HB3 LEU 19 3HB LEU 19 7.926 -4.395 -1.240 147 HG LEU 19 HG LEU 19 8.598 -2.249 -0.179 148 HD11 LEU 19 1HD1 LEU 19 6.423 -1.558 0.683 149 HD12 LEU 19 2HD1 LEU 19 7.633 -1.600 1.965 150 HD13 LEU 19 3HD1 LEU 19 6.444 -2.897 1.834 151 HD21 LEU 19 3HD2 LEU 19 8.393 -4.574 1.741 152 HD22 LEU 19 1HD2 LEU 19 9.526 -3.227 1.854 153 HD23 LEU 19 2HD2 LEU 19 9.637 -4.361 0.509 154 H LYS 20 H LYS 20 7.811 -3.530 -3.633 155 HA LYS 20 HA LYS 20 9.470 -1.290 -3.721 156 HB2 LYS 20 2HB LYS 20 9.957 -3.362 -4.939 157 HB3 LYS 20 3HB LYS 20 8.597 -3.065 -6.012 158 HG2 LYS 20 2HG LYS 20 10.715 -2.489 -7.073 159 HG3 LYS 20 3HG LYS 20 9.687 -1.066 -6.881 160 HD2 LYS 20 2HD LYS 20 10.969 -0.407 -4.893 161 HD3 LYS 20 3HD LYS 20 11.988 -1.838 -5.069 162 HE2 LYS 20 2HE LYS 20 11.740 0.433 -7.047 163 HE3 LYS 20 3HE LYS 20 13.098 0.146 -5.960 164 HZ1 LYS 20 3HZ LYS 20 12.217 -1.583 -8.204 165 HZ2 LYS 20 1HZ LYS 20 13.419 -2.011 -7.093 166 HZ3 LYS 20 2HZ LYS 20 13.643 -0.684 -8.108 167 H GLU 21 H GLU 21 6.467 -1.884 -5.571 168 HA GLU 21 HA GLU 21 6.393 0.556 -6.946 169 HB2 GLU 21 2HB GLU 21 4.233 -1.350 -6.065 170 HB3 GLU 21 3HB GLU 21 3.843 0.130 -6.932 171 HG2 GLU 21 2HG GLU 21 5.741 -1.968 -7.972 172 HG3 GLU 21 3HG GLU 21 4.019 -1.914 -8.356 173 H MET 22 H MET 22 5.202 -0.262 -3.703 174 HA MET 22 HA MET 22 4.006 2.262 -3.180 175 HB2 MET 22 2HB MET 22 5.116 0.250 -1.204 176 HB3 MET 22 3HB MET 22 4.025 1.577 -0.819 177 HG2 MET 22 2HG MET 22 3.435 -0.849 -2.498 178 HG3 MET 22 3HG MET 22 2.745 -0.431 -0.931 179 HE1 MET 22 3HE MET 22 2.225 2.708 -1.304 180 HE2 MET 22 1HE MET 22 1.048 1.620 -0.569 181 HE3 MET 22 2HE MET 22 0.554 2.707 -1.869 182 H ILE 23 H ILE 23 7.279 0.991 -2.621 183 HA ILE 23 HA ILE 23 8.334 3.268 -1.306 184 HB ILE 23 HB ILE 23 9.755 1.250 -3.066 185 HG12 ILE 23 2HG1 ILE 23 9.495 1.394 -0.043 186 HG13 ILE 23 3HG1 ILE 23 8.629 0.271 -1.085 187 HG21 ILE 23 1HG2 ILE 23 10.909 3.246 -1.108 188 HG22 ILE 23 2HG2 ILE 23 11.072 3.291 -2.864 189 HG23 ILE 23 3HG2 ILE 23 11.818 1.987 -1.943 190 HD11 ILE 23 3HD1 ILE 23 10.731 -0.761 -1.740 191 HD12 ILE 23 1HD1 ILE 23 10.521 -0.786 0.011 192 HD13 ILE 23 2HD1 ILE 23 11.615 0.385 -0.727 193 H ARG 24 H ARG 24 8.086 2.394 -4.735 194 HA ARG 24 HA ARG 24 9.456 4.545 -5.877 195 HB2 ARG 24 2HB ARG 24 8.685 2.567 -7.139 196 HB3 ARG 24 3HB ARG 24 7.016 3.091 -6.946 197 HG2 ARG 24 2HG ARG 24 7.445 5.065 -8.291 198 HG3 ARG 24 3HG ARG 24 9.152 4.635 -8.418 199 HD2 ARG 24 2HD ARG 24 8.557 2.591 -9.624 200 HD3 ARG 24 3HD ARG 24 6.846 2.992 -9.473 201 HE ARG 24 HE ARG 24 7.404 5.027 -10.825 202 HH11 ARG 24 1HH1 ARG 24 9.282 2.147 -11.072 203 HH12 ARG 24 2HH1 ARG 24 9.822 2.509 -12.674 204 HH21 ARG 24 1HH2 ARG 24 8.096 5.477 -12.880 205 HH22 ARG 24 2HH2 ARG 24 9.161 4.377 -13.684 206 H GLN 25 H GLN 25 6.043 4.275 -4.909 207 HA GLN 25 HA GLN 25 5.278 6.922 -5.575 208 HB2 GLN 25 2HB GLN 25 4.177 5.135 -3.386 209 HB3 GLN 25 3HB GLN 25 3.375 6.545 -4.070 210 HG2 GLN 25 2HG GLN 25 3.128 5.444 -6.191 211 HG3 GLN 25 3HG GLN 25 4.099 4.078 -5.645 212 HE21 GLN 25 1HE2 GLN 25 2.493 2.574 -5.978 213 HE22 GLN 25 2HE2 GLN 25 1.075 2.485 -5.000 214 H ALA 26 H ALA 26 6.509 5.467 -2.588 215 HA ALA 26 HA ALA 26 6.276 7.619 -0.848 216 HB1 ALA 26 3HB ALA 26 7.967 6.510 0.511 217 HB2 ALA 26 1HB ALA 26 8.419 5.494 -0.861 218 HB3 ALA 26 2HB ALA 26 6.815 5.345 -0.139 219 H ARG 27 H ARG 27 8.834 6.956 -3.206 220 HA ARG 27 HA ARG 27 10.679 8.907 -2.329 221 HB2 ARG 27 2HB ARG 27 10.223 7.915 -5.152 222 HB3 ARG 27 3HB ARG 27 11.648 8.770 -4.582 223 HG2 ARG 27 2HG ARG 27 10.745 5.995 -3.843 224 HG3 ARG 27 3HG ARG 27 12.200 6.465 -4.719 225 HD2 ARG 27 2HD ARG 27 11.576 6.917 -1.801 226 HD3 ARG 27 3HD ARG 27 12.830 5.885 -2.483 227 HE ARG 27 HE ARG 27 13.023 8.728 -3.083 228 HH11 ARG 27 1HH1 ARG 27 14.118 6.047 -1.211 229 HH12 ARG 27 2HH1 ARG 27 15.490 6.897 -0.594 230 HH21 ARG 27 1HH2 ARG 27 14.784 9.821 -2.273 231 HH22 ARG 27 2HH2 ARG 27 15.852 9.016 -1.172 232 H LYS 28 H LYS 28 7.765 9.163 -4.241 233 HA LYS 28 HA LYS 28 8.261 11.858 -5.144 234 HB2 LYS 28 2HB LYS 28 5.919 9.978 -5.285 235 HB3 LYS 28 3HB LYS 28 5.732 11.666 -5.732 236 HG2 LYS 28 2HG LYS 28 7.778 9.829 -6.970 237 HG3 LYS 28 3HG LYS 28 6.170 10.109 -7.643 238 HD2 LYS 28 2HD LYS 28 8.253 12.246 -7.141 239 HD3 LYS 28 3HD LYS 28 7.892 11.524 -8.711 240 HE2 LYS 28 2HE LYS 28 5.646 12.412 -8.657 241 HE3 LYS 28 3HE LYS 28 5.877 13.006 -7.012 242 HZ1 LYS 28 3HZ LYS 28 6.087 14.760 -8.667 243 HZ2 LYS 28 1HZ LYS 28 7.376 13.945 -9.393 244 HZ3 LYS 28 2HZ LYS 28 7.533 14.542 -7.819 245 H PHE 29 H PHE 29 7.040 10.460 -2.261 246 HA PHE 29 HA PHE 29 5.520 12.851 -1.517 247 HB2 PHE 29 2HB PHE 29 5.915 10.278 0.032 248 HB3 PHE 29 3HB PHE 29 4.793 11.574 0.436 249 HD1 PHE 29 HD1 PHE 29 3.557 12.202 -2.123 250 HD2 PHE 29 HD2 PHE 29 4.629 8.421 -0.479 251 HE1 PHE 29 HE1 PHE 29 1.816 11.122 -3.481 252 HE2 PHE 29 HE2 PHE 29 2.889 7.337 -1.839 253 HZ PHE 29 HZ PHE 29 1.485 8.685 -3.342 254 H ALA 30 H ALA 30 6.371 14.442 -0.333 255 HA ALA 30 HA ALA 30 9.014 14.230 0.806 256 HB1 ALA 30 3HB ALA 30 8.265 16.293 -0.289 257 HB2 ALA 30 1HB ALA 30 8.734 16.583 1.386 258 HB3 ALA 30 2HB ALA 30 7.027 16.503 0.949 259 H GLY 31 H GLY 31 7.928 12.334 2.146 260 HA2 GLY 31 2HA GLY 31 7.569 13.357 4.860 261 HA3 GLY 31 3HA GLY 31 6.242 12.413 4.203 262 H THR 32 H THR 32 6.314 10.544 5.331 263 HA THR 32 HA THR 32 8.769 8.931 5.224 264 HB THR 32 HB THR 32 7.314 9.611 7.795 265 HG1 THR 32 HG1 THR 32 10.055 9.979 7.068 266 HG21 THR 32 3HG2 THR 32 9.576 7.651 7.354 267 HG22 THR 32 1HG2 THR 32 7.915 7.229 7.772 268 HG23 THR 32 2HG2 THR 32 8.915 8.125 8.917 269 H VAL 33 H VAL 33 8.423 6.757 5.064 270 HA VAL 33 HA VAL 33 5.648 5.764 5.341 271 HB VAL 33 HB VAL 33 7.727 4.863 3.327 272 HG11 VAL 33 1HG1 VAL 33 6.375 2.977 4.055 273 HG12 VAL 33 2HG1 VAL 33 5.930 3.440 2.413 274 HG13 VAL 33 3HG1 VAL 33 4.895 3.895 3.768 275 HG21 VAL 33 3HG2 VAL 33 6.761 7.014 2.750 276 HG22 VAL 33 1HG2 VAL 33 5.134 6.373 2.977 277 HG23 VAL 33 2HG2 VAL 33 6.143 5.771 1.662 278 H THR 34 H THR 34 5.316 3.919 6.465 279 HA THR 34 HA THR 34 7.666 2.543 7.633 280 HB THR 34 HB THR 34 6.331 2.087 9.617 281 HG1 THR 34 HG1 THR 34 4.211 2.245 9.573 282 HG21 THR 34 3HG2 THR 34 5.998 4.359 10.478 283 HG22 THR 34 1HG2 THR 34 6.080 5.002 8.836 284 HG23 THR 34 2HG2 THR 34 7.502 4.249 9.562 285 H TYR 35 H TYR 35 7.533 0.241 7.886 286 HA TYR 35 HA TYR 35 5.158 -1.145 7.010 287 HB2 TYR 35 2HB TYR 35 6.136 -2.377 5.170 288 HB3 TYR 35 3HB TYR 35 6.267 -0.653 4.856 289 HD1 TYR 35 HD2 TYR 35 8.501 0.479 5.130 290 HD2 TYR 35 HD1 TYR 35 8.065 -3.758 5.277 291 HE1 TYR 35 HE2 TYR 35 10.914 0.217 4.723 292 HE2 TYR 35 HE1 TYR 35 10.469 -4.028 4.873 293 HH TYR 35 HH TYR 35 12.678 -1.449 5.092 294 H THR 36 H THR 36 4.891 -3.012 8.052 295 HA THR 36 HA THR 36 7.251 -4.490 9.014 296 HB THR 36 HB THR 36 6.553 -3.272 10.977 297 HG1 THR 36 HG1 THR 36 5.651 -5.268 12.197 298 HG21 THR 36 3HG2 THR 36 4.304 -3.501 11.939 299 HG22 THR 36 1HG2 THR 36 3.798 -4.432 10.529 300 HG23 THR 36 2HG2 THR 36 4.252 -2.737 10.350 301 H LEU 37 H LEU 37 7.073 -6.696 8.983 302 HA LEU 37 HA LEU 37 4.772 -7.776 7.530 303 HB2 LEU 37 2HB LEU 37 7.560 -8.777 8.059 304 HB3 LEU 37 3HB LEU 37 6.313 -9.861 7.482 305 HG LEU 37 HG LEU 37 7.710 -9.084 5.647 306 HD11 LEU 37 1HD1 LEU 37 5.935 -8.270 4.154 307 HD12 LEU 37 2HD1 LEU 37 4.906 -7.971 5.554 308 HD13 LEU 37 3HD1 LEU 37 5.400 -9.618 5.156 309 HD21 LEU 37 3HD2 LEU 37 7.708 -6.740 4.943 310 HD22 LEU 37 1HD2 LEU 37 8.398 -6.921 6.555 311 HD23 LEU 37 2HD2 LEU 37 6.756 -6.304 6.361 312 H ASP 38 H ASP 38 3.414 -9.340 8.307 313 HA ASP 38 HA ASP 38 4.061 -10.666 10.841 314 HB2 ASP 38 2HB ASP 38 2.626 -8.629 11.299 315 HB3 ASP 38 3HB ASP 38 1.343 -9.412 10.380 316 H GLY 39 H GLY 39 4.406 -12.543 9.616 317 HA2 GLY 39 2HA GLY 39 3.827 -14.556 8.670 318 HA3 GLY 39 3HA GLY 39 2.182 -14.234 9.196 319 H ASN 40 H ASN 40 0.703 -13.411 7.751 320 HA ASN 40 HA ASN 40 1.547 -13.369 4.920 321 HB2 ASN 40 2HB ASN 40 -1.264 -13.721 5.989 322 HB3 ASN 40 3HB ASN 40 -0.705 -14.000 4.341 323 HD21 ASN 40 1HD2 ASN 40 0.621 -15.828 3.937 324 HD22 ASN 40 2HD2 ASN 40 0.614 -17.181 5.012 325 H ASP 41 H ASP 41 0.704 -11.335 7.423 326 HA ASP 41 HA ASP 41 -0.708 -9.365 5.791 327 HB2 ASP 41 2HB ASP 41 0.024 -9.353 8.732 328 HB3 ASP 41 3HB ASP 41 -0.950 -8.128 7.924 329 H LEU 42 H LEU 42 0.020 -7.245 5.487 330 HA LEU 42 HA LEU 42 2.793 -6.604 6.221 331 HB2 LEU 42 2HB LEU 42 2.987 -7.434 3.981 332 HB3 LEU 42 3HB LEU 42 1.611 -6.489 3.445 333 HG LEU 42 HG LEU 42 2.883 -4.425 3.662 334 HD11 LEU 42 1HD1 LEU 42 5.255 -4.426 4.239 335 HD12 LEU 42 2HD1 LEU 42 5.178 -6.154 4.585 336 HD13 LEU 42 3HD1 LEU 42 4.274 -5.014 5.582 337 HD21 LEU 42 3HD2 LEU 42 4.511 -4.786 1.890 338 HD22 LEU 42 1HD2 LEU 42 3.027 -5.678 1.558 339 HD23 LEU 42 2HD2 LEU 42 4.450 -6.528 2.163 340 H GLU 43 H GLU 43 2.365 -4.994 7.620 341 HA GLU 43 HA GLU 43 0.335 -2.990 7.187 342 HB2 GLU 43 2HB GLU 43 2.595 -3.112 9.205 343 HB3 GLU 43 3HB GLU 43 1.269 -1.961 9.242 344 HG2 GLU 43 2HG GLU 43 0.832 -4.933 9.391 345 HG3 GLU 43 3HG GLU 43 1.135 -3.944 10.817 346 H ILE 44 H ILE 44 0.653 -1.446 5.628 347 HA ILE 44 HA ILE 44 3.290 -0.096 5.537 348 HB ILE 44 HB ILE 44 1.370 -0.518 3.227 349 HG12 ILE 44 2HG1 ILE 44 4.159 -1.615 3.720 350 HG13 ILE 44 3HG1 ILE 44 2.659 -2.535 3.776 351 HG21 ILE 44 1HG2 ILE 44 3.064 0.606 1.842 352 HG22 ILE 44 2HG2 ILE 44 4.022 0.941 3.285 353 HG23 ILE 44 3HG2 ILE 44 2.429 1.677 3.091 354 HD11 ILE 44 3HD1 ILE 44 2.312 -2.102 1.393 355 HD12 ILE 44 1HD1 ILE 44 3.839 -2.929 1.702 356 HD13 ILE 44 2HD1 ILE 44 3.829 -1.203 1.343 357 H ARG 45 H ARG 45 3.073 1.828 6.526 358 HA ARG 45 HA ARG 45 0.603 3.386 6.044 359 HB2 ARG 45 2HB ARG 45 1.036 2.708 8.411 360 HB3 ARG 45 3HB ARG 45 2.519 3.653 8.375 361 HG2 ARG 45 2HG ARG 45 1.228 5.693 7.997 362 HG3 ARG 45 3HG ARG 45 -0.265 4.752 7.978 363 HD2 ARG 45 2HD ARG 45 0.213 4.030 10.303 364 HD3 ARG 45 3HD ARG 45 1.631 5.081 10.305 365 HE ARG 45 HE ARG 45 -0.459 6.721 9.625 366 HH11 ARG 45 1HH1 ARG 45 0.248 4.638 12.277 367 HH12 ARG 45 2HH1 ARG 45 -0.676 5.573 13.398 368 HH21 ARG 45 1HH2 ARG 45 -1.644 7.902 11.083 369 HH22 ARG 45 2HH2 ARG 45 -1.738 7.386 12.734 370 H ILE 46 H ILE 46 0.771 5.255 4.960 371 HA ILE 46 HA ILE 46 3.479 6.347 4.496 372 HB ILE 46 HB ILE 46 1.030 6.651 2.732 373 HG12 ILE 46 2HG1 ILE 46 3.515 4.947 2.356 374 HG13 ILE 46 3HG1 ILE 46 1.904 4.342 2.726 375 HG21 ILE 46 1HG2 ILE 46 2.580 7.623 1.101 376 HG22 ILE 46 2HG2 ILE 46 3.902 7.475 2.257 377 HG23 ILE 46 3HG2 ILE 46 2.555 8.562 2.592 378 HD11 ILE 46 3HD1 ILE 46 2.707 5.790 0.210 379 HD12 ILE 46 1HD1 ILE 46 1.095 5.172 0.578 380 HD13 ILE 46 2HD1 ILE 46 2.444 4.054 0.377 381 H THR 47 H THR 47 3.828 8.063 5.748 382 HA THR 47 HA THR 47 1.606 9.822 6.506 383 HB THR 47 HB THR 47 4.414 9.671 7.638 384 HG1 THR 47 HG1 THR 47 2.030 8.352 8.208 385 HG21 THR 47 3HG2 THR 47 3.454 11.908 7.904 386 HG22 THR 47 1HG2 THR 47 3.524 11.074 9.458 387 HG23 THR 47 2HG2 THR 47 1.990 11.209 8.597 388 H GLY 48 H GLY 48 1.279 11.462 5.135 389 HA2 GLY 48 2HA GLY 48 1.992 13.714 4.566 390 HA3 GLY 48 3HA GLY 48 3.613 13.090 4.316 391 H VAL 49 H VAL 49 0.289 12.651 3.066 392 HA VAL 49 HA VAL 49 1.441 12.486 0.345 393 HB VAL 49 HB VAL 49 -0.575 11.091 -0.270 394 HG11 VAL 49 1HG1 VAL 49 1.329 9.943 1.771 395 HG12 VAL 49 2HG1 VAL 49 1.617 10.082 0.036 396 HG13 VAL 49 3HG1 VAL 49 0.355 9.006 0.638 397 HG21 VAL 49 3HG2 VAL 49 -1.777 9.931 1.509 398 HG22 VAL 49 1HG2 VAL 49 -1.988 11.676 1.667 399 HG23 VAL 49 2HG2 VAL 49 -0.868 10.821 2.731 400 HA PRO 50 HA PRO 50 -1.242 15.913 -0.663 401 HB2 PRO 50 2HB PRO 50 -1.054 15.113 -3.475 402 HB3 PRO 50 3HB PRO 50 -0.392 16.540 -2.676 403 HG2 PRO 50 2HG PRO 50 1.163 14.517 -3.598 404 HG3 PRO 50 3HG PRO 50 1.603 15.502 -2.189 405 HD2 PRO 50 2HD PRO 50 0.400 12.753 -2.289 406 HD3 PRO 50 3HD PRO 50 1.679 13.386 -1.228 407 H GLU 51 H GLU 51 -3.391 16.292 -1.169 408 HA GLU 51 HA GLU 51 -5.244 14.236 -0.909 409 HB2 GLU 51 2HB GLU 51 -5.769 16.594 -0.471 410 HB3 GLU 51 3HB GLU 51 -5.647 16.948 -2.189 411 HG2 GLU 51 2HG GLU 51 -7.538 15.357 -2.578 412 HG3 GLU 51 3HG GLU 51 -7.709 15.221 -0.828 413 H GLN 52 H GLN 52 -4.171 15.866 -3.886 414 HA GLN 52 HA GLN 52 -5.921 14.617 -5.670 415 HB2 GLN 52 2HB GLN 52 -4.360 15.298 -7.431 416 HB3 GLN 52 3HB GLN 52 -4.614 16.588 -6.264 417 HG2 GLN 52 2HG GLN 52 -2.468 16.032 -5.199 418 HG3 GLN 52 3HG GLN 52 -2.214 14.764 -6.398 419 HE21 GLN 52 1HE2 GLN 52 -0.589 17.119 -5.849 420 HE22 GLN 52 2HE2 GLN 52 -0.519 18.003 -7.329 421 H VAL 53 H VAL 53 -3.132 13.313 -4.099 422 HA VAL 53 HA VAL 53 -2.724 11.198 -6.051 423 HB VAL 53 HB VAL 53 -1.411 11.610 -3.349 424 HG11 VAL 53 1HG1 VAL 53 -0.648 9.815 -5.660 425 HG12 VAL 53 2HG1 VAL 53 -1.217 9.302 -4.072 426 HG13 VAL 53 3HG1 VAL 53 0.342 10.107 -4.230 427 HG21 VAL 53 3HG2 VAL 53 0.467 12.543 -4.612 428 HG22 VAL 53 1HG2 VAL 53 -1.002 13.483 -4.873 429 HG23 VAL 53 2HG2 VAL 53 -0.440 12.361 -6.113 430 H ARG 54 H ARG 54 -4.855 11.702 -3.520 431 HA ARG 54 HA ARG 54 -5.132 9.312 -2.178 432 HB2 ARG 54 2HB ARG 54 -6.495 11.166 -1.565 433 HB3 ARG 54 3HB ARG 54 -7.207 11.268 -3.168 434 HG2 ARG 54 2HG ARG 54 -8.767 10.363 -1.511 435 HG3 ARG 54 3HG ARG 54 -8.427 9.206 -2.798 436 HD2 ARG 54 2HD ARG 54 -6.872 8.017 -1.338 437 HD3 ARG 54 3HD ARG 54 -7.144 9.204 -0.061 438 HE ARG 54 HE ARG 54 -9.138 8.190 0.432 439 HH11 ARG 54 1HH1 ARG 54 -7.975 6.959 -2.569 440 HH12 ARG 54 2HH1 ARG 54 -9.196 5.738 -2.660 441 HH21 ARG 54 1HH2 ARG 54 -10.687 6.617 0.298 442 HH22 ARG 54 2HH2 ARG 54 -10.693 5.528 -1.044 443 H LYS 55 H LYS 55 -6.490 10.111 -5.379 444 HA LYS 55 HA LYS 55 -7.741 7.634 -5.856 445 HB2 LYS 55 2HB LYS 55 -7.748 8.283 -8.219 446 HB3 LYS 55 3HB LYS 55 -8.224 9.626 -7.191 447 HG2 LYS 55 2HG LYS 55 -6.001 10.606 -7.417 448 HG3 LYS 55 3HG LYS 55 -5.492 9.242 -8.414 449 HD2 LYS 55 2HD LYS 55 -7.263 9.842 -10.054 450 HD3 LYS 55 3HD LYS 55 -7.640 11.264 -9.079 451 HE2 LYS 55 2HE LYS 55 -4.977 10.670 -10.376 452 HE3 LYS 55 3HE LYS 55 -6.180 11.807 -10.980 453 HZ1 LYS 55 3HZ LYS 55 -4.704 12.010 -8.412 454 HZ2 LYS 55 1HZ LYS 55 -5.923 13.069 -8.912 455 HZ3 LYS 55 2HZ LYS 55 -4.479 12.972 -9.780 456 H GLU 56 H GLU 56 -4.444 8.743 -6.502 457 HA GLU 56 HA GLU 56 -3.590 6.541 -8.051 458 HB2 GLU 56 2HB GLU 56 -1.926 8.374 -6.305 459 HB3 GLU 56 3HB GLU 56 -1.307 7.324 -7.570 460 HG2 GLU 56 2HG GLU 56 -3.208 9.623 -8.007 461 HG3 GLU 56 3HG GLU 56 -1.465 9.690 -8.252 462 H LEU 57 H LEU 57 -3.111 7.255 -4.588 463 HA LEU 57 HA LEU 57 -1.697 4.994 -3.843 464 HB2 LEU 57 2HB LEU 57 -3.779 6.501 -2.245 465 HB3 LEU 57 3HB LEU 57 -2.624 5.369 -1.563 466 HG LEU 57 HG LEU 57 -1.884 7.949 -2.964 467 HD11 LEU 57 1HD1 LEU 57 -1.339 8.801 -0.751 468 HD12 LEU 57 2HD1 LEU 57 -1.909 7.300 -0.016 469 HD13 LEU 57 3HD1 LEU 57 -3.045 8.364 -0.850 470 HD21 LEU 57 3HD2 LEU 57 -0.209 5.965 -1.418 471 HD22 LEU 57 1HD2 LEU 57 0.352 7.518 -2.039 472 HD23 LEU 57 2HD2 LEU 57 -0.152 6.252 -3.159 473 H ALA 58 H ALA 58 -5.244 5.406 -3.848 474 HA ALA 58 HA ALA 58 -5.815 2.770 -2.942 475 HB1 ALA 58 3HB ALA 58 -7.414 4.607 -2.726 476 HB2 ALA 58 1HB ALA 58 -8.119 3.249 -3.603 477 HB3 ALA 58 2HB ALA 58 -7.578 4.680 -4.480 478 H LYS 59 H LYS 59 -5.964 4.226 -6.185 479 HA LYS 59 HA LYS 59 -6.779 1.975 -7.618 480 HB2 LYS 59 2HB LYS 59 -6.933 4.092 -8.645 481 HB3 LYS 59 3HB LYS 59 -5.238 4.453 -8.352 482 HG2 LYS 59 2HG LYS 59 -4.547 2.924 -10.056 483 HG3 LYS 59 3HG LYS 59 -6.193 2.317 -10.250 484 HD2 LYS 59 2HD LYS 59 -5.486 3.926 -12.023 485 HD3 LYS 59 3HD LYS 59 -6.937 4.413 -11.146 486 HE2 LYS 59 2HE LYS 59 -5.517 6.335 -11.453 487 HE3 LYS 59 3HE LYS 59 -5.539 5.911 -9.746 488 HZ1 LYS 59 3HZ LYS 59 -3.319 6.451 -10.489 489 HZ2 LYS 59 1HZ LYS 59 -3.380 5.243 -11.668 490 HZ3 LYS 59 2HZ LYS 59 -3.389 4.825 -10.030 491 H GLU 60 H GLU 60 -3.501 3.092 -6.868 492 HA GLU 60 HA GLU 60 -2.169 1.047 -8.329 493 HB2 GLU 60 2HB GLU 60 -1.387 3.220 -6.475 494 HB3 GLU 60 3HB GLU 60 -0.284 1.855 -6.542 495 HG2 GLU 60 2HG GLU 60 0.307 3.691 -8.094 496 HG3 GLU 60 3HG GLU 60 0.047 2.146 -8.899 497 H ALA 61 H ALA 61 -2.986 1.397 -4.868 498 HA ALA 61 HA ALA 61 -1.792 -0.961 -3.943 499 HB1 ALA 61 3HB ALA 61 -2.684 0.761 -2.448 500 HB2 ALA 61 1HB ALA 61 -3.338 -0.829 -2.055 501 HB3 ALA 61 2HB ALA 61 -4.325 0.339 -2.932 502 H GLU 62 H GLU 62 -5.127 -0.453 -5.118 503 HA GLU 62 HA GLU 62 -5.977 -3.128 -4.963 504 HB2 GLU 62 2HB GLU 62 -6.857 -0.937 -6.862 505 HB3 GLU 62 3HB GLU 62 -7.707 -2.461 -6.625 506 HG2 GLU 62 2HG GLU 62 -8.107 -1.884 -4.284 507 HG3 GLU 62 3HG GLU 62 -7.233 -0.368 -4.505 508 H ARG 63 H ARG 63 -4.452 -1.340 -7.637 509 HA ARG 63 HA ARG 63 -4.453 -3.333 -9.585 510 HB2 ARG 63 2HB ARG 63 -3.837 -1.054 -10.089 511 HB3 ARG 63 3HB ARG 63 -2.447 -1.139 -9.025 512 HG2 ARG 63 2HG ARG 63 -2.560 -3.052 -11.304 513 HG3 ARG 63 3HG ARG 63 -2.231 -1.356 -11.661 514 HD2 ARG 63 2HD ARG 63 -0.666 -3.145 -9.790 515 HD3 ARG 63 3HD ARG 63 -0.146 -2.567 -11.372 516 HE ARG 63 HE ARG 63 -0.759 -0.563 -9.346 517 HH11 ARG 63 1HH1 ARG 63 1.646 -2.299 -11.105 518 HH12 ARG 63 2HH1 ARG 63 2.906 -1.189 -10.678 519 HH21 ARG 63 1HH2 ARG 63 0.880 0.856 -8.831 520 HH22 ARG 63 2HH2 ARG 63 2.477 0.561 -9.427 521 H LEU 64 H LEU 64 -2.057 -2.728 -7.023 522 HA LEU 64 HA LEU 64 -0.255 -4.786 -7.658 523 HB2 LEU 64 2HB LEU 64 -0.962 -3.590 -4.970 524 HB3 LEU 64 3HB LEU 64 0.419 -4.633 -5.258 525 HG LEU 64 HG LEU 64 0.001 -1.929 -6.555 526 HD11 LEU 64 1HD1 LEU 64 0.418 -1.708 -4.164 527 HD12 LEU 64 2HD1 LEU 64 1.808 -1.159 -5.100 528 HD13 LEU 64 3HD1 LEU 64 1.845 -2.734 -4.305 529 HD21 LEU 64 3HD2 LEU 64 2.366 -3.807 -6.592 530 HD22 LEU 64 1HD2 LEU 64 2.325 -2.185 -7.285 531 HD23 LEU 64 2HD2 LEU 64 1.295 -3.452 -7.948 532 H ALA 65 H ALA 65 -3.033 -4.788 -5.432 533 HA ALA 65 HA ALA 65 -2.822 -7.409 -4.502 534 HB1 ALA 65 3HB ALA 65 -5.339 -5.793 -4.916 535 HB2 ALA 65 1HB ALA 65 -4.293 -5.738 -3.495 536 HB3 ALA 65 2HB ALA 65 -5.175 -7.215 -3.884 537 H LYS 66 H LYS 66 -4.782 -6.192 -7.225 538 HA LYS 66 HA LYS 66 -5.925 -8.661 -7.932 539 HB2 LYS 66 2HB LYS 66 -5.403 -6.264 -9.704 540 HB3 LYS 66 3HB LYS 66 -6.516 -7.578 -10.058 541 HG2 LYS 66 2HG LYS 66 -7.837 -6.963 -8.066 542 HG3 LYS 66 3HG LYS 66 -6.741 -5.612 -7.783 543 HD2 LYS 66 2HD LYS 66 -8.580 -4.661 -8.895 544 HD3 LYS 66 3HD LYS 66 -7.350 -4.838 -10.145 545 HE2 LYS 66 2HE LYS 66 -9.619 -6.777 -9.666 546 HE3 LYS 66 3HE LYS 66 -9.626 -5.506 -10.884 547 HZ1 LYS 66 3HZ LYS 66 -7.769 -7.820 -10.767 548 HZ2 LYS 66 1HZ LYS 66 -7.678 -6.567 -11.899 549 HZ3 LYS 66 2HZ LYS 66 -9.020 -7.590 -11.875 550 H GLU 67 H GLU 67 -3.003 -7.041 -9.188 551 HA GLU 67 HA GLU 67 -2.442 -8.850 -11.257 552 HB2 GLU 67 2HB GLU 67 -1.363 -6.648 -11.057 553 HB3 GLU 67 3HB GLU 67 -0.489 -7.197 -9.632 554 HG2 GLU 67 2HG GLU 67 0.734 -8.814 -10.956 555 HG3 GLU 67 3HG GLU 67 -0.209 -8.401 -12.385 556 H PHE 68 H PHE 68 -1.672 -9.017 -7.820 557 HA PHE 68 HA PHE 68 -0.240 -11.555 -8.266 558 HB2 PHE 68 2HB PHE 68 -0.317 -9.756 -5.835 559 HB3 PHE 68 3HB PHE 68 0.580 -11.268 -5.941 560 HD1 PHE 68 HD1 PHE 68 2.255 -11.446 -7.947 561 HD2 PHE 68 HD2 PHE 68 0.766 -7.774 -6.385 562 HE1 PHE 68 HE1 PHE 68 4.176 -10.257 -8.919 563 HE2 PHE 68 HE2 PHE 68 2.686 -6.580 -7.355 564 HZ PHE 68 HZ PHE 68 4.394 -7.824 -8.625 565 H ASN 69 H ASN 69 -3.309 -10.756 -7.842 566 HA ASN 69 HA ASN 69 -5.190 -11.797 -7.112 567 HB2 ASN 69 2HB ASN 69 -3.322 -14.175 -6.967 568 HB3 ASN 69 3HB ASN 69 -5.079 -14.276 -6.864 569 HD21 ASN 69 1HD2 ASN 69 -3.236 -15.407 -8.832 570 HD22 ASN 69 2HD2 ASN 69 -3.758 -14.811 -10.365 571 H ILE 70 H ILE 70 -3.558 -10.463 -5.107 572 HA ILE 70 HA ILE 70 -4.189 -12.041 -2.692 573 HB ILE 70 HB ILE 70 -2.560 -10.666 -1.484 574 HG12 ILE 70 2HG1 ILE 70 -1.999 -9.391 -4.183 575 HG13 ILE 70 3HG1 ILE 70 -2.771 -8.597 -2.814 576 HG21 ILE 70 1HG2 ILE 70 -1.820 -12.747 -2.523 577 HG22 ILE 70 2HG2 ILE 70 -0.525 -11.550 -2.527 578 HG23 ILE 70 3HG2 ILE 70 -1.426 -11.882 -4.009 579 HD11 ILE 70 3HD1 ILE 70 -0.712 -8.840 -1.518 580 HD12 ILE 70 1HD1 ILE 70 -0.453 -7.934 -3.009 581 HD13 ILE 70 2HD1 ILE 70 0.061 -9.617 -2.900 582 H THR 71 H THR 71 -4.501 -10.435 -0.714 583 HA THR 71 HA THR 71 -6.715 -8.639 -1.468 584 HB THR 71 HB THR 71 -7.395 -8.778 0.931 585 HG1 THR 71 HG1 THR 71 -5.300 -10.715 1.072 586 HG21 THR 71 3HG2 THR 71 -8.420 -10.269 -0.720 587 HG22 THR 71 1HG2 THR 71 -8.255 -11.075 0.840 588 HG23 THR 71 2HG2 THR 71 -7.130 -11.445 -0.466 589 H VAL 72 H VAL 72 -6.950 -6.582 -0.465 590 HA VAL 72 HA VAL 72 -4.752 -5.504 1.102 591 HB VAL 72 HB VAL 72 -4.007 -5.169 -1.242 592 HG11 VAL 72 1HG1 VAL 72 -6.461 -3.422 -1.513 593 HG12 VAL 72 2HG1 VAL 72 -6.202 -4.970 -2.317 594 HG13 VAL 72 3HG1 VAL 72 -5.172 -3.593 -2.705 595 HG21 VAL 72 3HG2 VAL 72 -3.312 -3.605 0.517 596 HG22 VAL 72 1HG2 VAL 72 -4.718 -2.597 0.177 597 HG23 VAL 72 2HG2 VAL 72 -3.461 -2.798 -1.044 598 H THR 73 H THR 73 -5.359 -3.844 2.419 599 HA THR 73 HA THR 73 -8.036 -2.647 2.012 600 HB THR 73 HB THR 73 -8.156 -2.253 4.447 601 HG1 THR 73 HG1 THR 73 -6.329 -3.962 5.356 602 HG21 THR 73 3HG2 THR 73 -8.538 -4.572 5.155 603 HG22 THR 73 1HG2 THR 73 -7.653 -5.152 3.743 604 HG23 THR 73 2HG2 THR 73 -9.175 -4.284 3.536 605 H TYR 74 H TYR 74 -8.219 -0.424 2.193 606 HA TYR 74 HA TYR 74 -5.786 1.140 2.686 607 HB2 TYR 74 2HB TYR 74 -6.182 2.447 0.585 608 HB3 TYR 74 3HB TYR 74 -5.708 0.778 0.299 609 HD1 TYR 74 HD2 TYR 74 -7.535 -0.906 -0.306 610 HD2 TYR 74 HD1 TYR 74 -8.192 3.304 -0.330 611 HE1 TYR 74 HE2 TYR 74 -9.507 -1.226 -1.738 612 HE2 TYR 74 HE1 TYR 74 -10.167 2.990 -1.760 613 HH TYR 74 HH TYR 74 -11.010 1.274 -3.403 614 H THR 75 H THR 75 -6.275 2.758 4.068 615 HA THR 75 HA THR 75 -8.770 4.243 3.789 616 HB THR 75 HB THR 75 -8.175 2.745 6.359 617 HG1 THR 75 HG1 THR 75 -9.759 2.192 4.149 618 HG21 THR 75 3HG2 THR 75 -10.331 3.638 7.133 619 HG22 THR 75 1HG2 THR 75 -10.483 4.570 5.642 620 HG23 THR 75 2HG2 THR 75 -9.192 4.937 6.787 621 H ILE 76 H ILE 76 -8.097 6.303 3.854 622 HA ILE 76 HA ILE 76 -5.902 7.222 5.482 623 HB ILE 76 HB ILE 76 -7.999 8.688 3.860 624 HG12 ILE 76 2HG1 ILE 76 -5.027 8.223 3.496 625 HG13 ILE 76 3HG1 ILE 76 -6.331 7.559 2.518 626 HG21 ILE 76 1HG2 ILE 76 -6.776 10.772 4.275 627 HG22 ILE 76 2HG2 ILE 76 -5.712 9.928 5.399 628 HG23 ILE 76 3HG2 ILE 76 -7.426 10.101 5.770 629 HD11 ILE 76 3HD1 ILE 76 -5.221 9.349 1.350 630 HD12 ILE 76 1HD1 ILE 76 -5.525 10.453 2.692 631 HD13 ILE 76 2HD1 ILE 76 -6.873 9.823 1.744 632 H ARG 77 H ARG 77 -5.992 8.305 7.466 633 HA ARG 77 HA ARG 77 -8.274 7.823 9.082 634 HB2 ARG 77 2HB ARG 77 -7.046 9.423 10.732 635 HB3 ARG 77 3HB ARG 77 -6.372 7.847 10.372 636 HG2 ARG 77 2HG ARG 77 -4.538 9.291 10.377 637 HG3 ARG 77 3HG ARG 77 -4.884 9.031 8.672 638 HD2 ARG 77 2HD ARG 77 -4.351 11.406 9.347 639 HD3 ARG 77 3HD ARG 77 -5.848 11.182 8.441 640 HE ARG 77 HE ARG 77 -6.834 11.157 10.861 641 HH11 ARG 77 1HH1 ARG 77 -4.278 13.167 9.727 642 HH12 ARG 77 2HH1 ARG 77 -4.730 14.488 10.746 643 HH21 ARG 77 1HH2 ARG 77 -7.397 12.861 12.149 644 HH22 ARG 77 2HH2 ARG 77 -6.469 14.320 12.097 645 H LEU 78 H LEU 78 -10.088 8.715 8.349 646 HA LEU 78 HA LEU 78 -10.365 11.270 7.220 647 HB2 LEU 78 2HB LEU 78 -12.483 9.579 8.556 648 HB3 LEU 78 3HB LEU 78 -12.781 10.923 7.469 649 HG LEU 78 HG LEU 78 -11.436 8.316 6.716 650 HD11 LEU 78 1HD1 LEU 78 -14.181 9.382 6.047 651 HD12 LEU 78 2HD1 LEU 78 -13.817 8.036 7.127 652 HD13 LEU 78 3HD1 LEU 78 -13.463 7.904 5.405 653 HD21 LEU 78 3HD2 LEU 78 -12.194 10.693 5.007 654 HD22 LEU 78 1HD2 LEU 78 -11.574 9.151 4.412 655 HD23 LEU 78 2HD2 LEU 78 -10.556 10.182 5.417 656 H GLU 79 H GLU 79 -11.175 13.210 7.998 657 HA GLU 79 HA GLU 79 -10.931 13.621 10.889 658 HB2 GLU 79 2HB GLU 79 -11.194 15.607 8.617 659 HB3 GLU 79 3HB GLU 79 -10.991 16.035 10.313 660 HG2 GLU 79 2HG GLU 79 -8.804 14.958 10.337 661 HG3 GLU 79 3HG GLU 79 -9.006 14.488 8.648 662 H HIS 80 H HIS 80 -12.619 14.215 12.193 663 HA HIS 80 HA HIS 80 -15.303 13.894 11.127 664 HB2 HIS 80 2HB HIS 80 -14.396 14.478 13.964 665 HB3 HIS 80 3HB HIS 80 -16.028 14.026 13.476 666 HD1 HIS 80 HD1 HIS 80 -16.531 11.564 13.355 667 HD2 HIS 80 HD2 HIS 80 -12.456 12.345 13.600 668 HE1 HIS 80 HE1 HIS 80 -15.432 9.329 13.650 669 HE2 HIS 80 HE2 HIS 80 -12.965 9.814 13.589 670 H HIS 81 H HIS 81 -16.426 15.558 10.313 671 HA HIS 81 HA HIS 81 -15.475 18.236 10.466 672 HB2 HIS 81 2HB HIS 81 -18.153 17.228 9.467 673 HB3 HIS 81 3HB HIS 81 -17.445 18.804 9.121 674 HD1 HIS 81 HD1 HIS 81 -14.895 18.501 7.939 675 HD2 HIS 81 HD2 HIS 81 -17.676 15.451 7.476 676 HE1 HIS 81 HE1 HIS 81 -14.101 17.163 5.974 677 HE2 HIS 81 HE2 HIS 81 -15.904 15.455 5.592 678 H HIS 82 H HIS 82 -18.668 16.990 11.515 679 HA HIS 82 HA HIS 82 -19.811 17.204 13.459 680 HB2 HIS 82 2HB HIS 82 -17.705 16.644 14.538 681 HB3 HIS 82 3HB HIS 82 -17.212 18.331 14.514 682 HD1 HIS 82 HD1 HIS 82 -19.819 16.090 16.103 683 HD2 HIS 82 HD2 HIS 82 -18.007 19.779 16.711 684 HE1 HIS 82 HE1 HIS 82 -20.584 16.850 18.367 685 HE2 HIS 82 HE2 HIS 82 -19.351 18.999 18.777 686 H HIS 83 H HIS 83 -18.396 20.073 12.088 687 HA HIS 83 HA HIS 83 -19.537 22.012 13.796 688 HB2 HIS 83 2HB HIS 83 -18.794 22.268 10.869 689 HB3 HIS 83 3HB HIS 83 -19.114 23.612 11.962 690 HD1 HIS 83 HD1 HIS 83 -16.392 23.055 10.432 691 HD2 HIS 83 HD2 HIS 83 -17.167 22.229 14.432 692 HE1 HIS 83 HE1 HIS 83 -14.150 22.994 11.552 693 HE2 HIS 83 HE2 HIS 83 -14.650 22.644 13.987 694 H HIS 84 H HIS 84 -21.584 22.705 14.027 695 HA HIS 84 HA HIS 84 -23.587 21.780 12.070 696 HB2 HIS 84 2HB HIS 84 -23.990 20.940 14.298 697 HB3 HIS 84 3HB HIS 84 -23.889 22.560 14.979 698 HD1 HIS 84 HD1 HIS 84 -26.098 20.540 12.647 699 HD2 HIS 84 HD2 HIS 84 -26.290 23.892 15.098 700 HE1 HIS 84 HE1 HIS 84 -28.509 21.235 12.649 701 HE2 HIS 84 HE2 HIS 84 -28.590 23.308 14.065 702 H HIS 85 H HIS 85 -25.000 23.143 11.085 703 HA HIS 85 HA HIS 85 -24.938 26.010 11.818 704 HB2 HIS 85 2HB HIS 85 -25.116 24.823 9.034 705 HB3 HIS 85 3HB HIS 85 -25.273 26.536 9.410 706 HD1 HIS 85 HD1 HIS 85 -22.772 23.876 8.845 707 HD2 HIS 85 HD2 HIS 85 -22.841 27.775 10.271 708 HE1 HIS 85 HE1 HIS 85 -20.377 24.626 8.863 709 HE2 HIS 85 HE2 HIS 85 -20.463 27.036 9.568 Start of MODEL 10 1 H1 MET 1 1H MET 1 -2.027 14.669 5.004 2 H2 MET 1 2H MET 1 -3.367 15.387 4.262 3 H3 MET 1 3H MET 1 -2.408 14.295 3.398 4 HA MET 1 HA MET 1 -4.040 13.634 5.780 5 HB2 MET 1 2HB MET 1 -5.359 14.179 3.741 6 HB3 MET 1 3HB MET 1 -4.481 12.941 2.859 7 HG2 MET 1 2HG MET 1 -5.445 11.210 4.205 8 HG3 MET 1 3HG MET 1 -6.179 12.395 5.283 9 HE1 MET 1 3HE MET 1 -6.003 12.756 1.351 10 HE2 MET 1 1HE MET 1 -7.465 11.896 0.870 11 HE3 MET 1 2HE MET 1 -6.122 11.012 1.594 12 H GLU 2 H GLU 2 -4.283 11.190 5.980 13 HA GLU 2 HA GLU 2 -1.796 9.812 5.157 14 HB2 GLU 2 2HB GLU 2 -3.252 9.462 7.789 15 HB3 GLU 2 3HB GLU 2 -1.771 8.650 7.300 16 HG2 GLU 2 2HG GLU 2 -0.618 10.825 7.237 17 HG3 GLU 2 3HG GLU 2 -2.101 11.608 7.783 18 H MET 3 H MET 3 -1.990 7.384 5.254 19 HA MET 3 HA MET 3 -4.687 6.360 4.789 20 HB2 MET 3 2HB MET 3 -3.968 7.258 2.611 21 HB3 MET 3 3HB MET 3 -2.531 6.249 2.666 22 HG2 MET 3 2HG MET 3 -3.874 4.250 2.521 23 HG3 MET 3 3HG MET 3 -5.358 5.203 2.608 24 HE1 MET 3 3HE MET 3 -6.321 4.084 0.389 25 HE2 MET 3 1HE MET 3 -4.885 3.066 0.340 26 HE3 MET 3 2HE MET 3 -5.391 3.941 -1.105 27 H ASP 4 H ASP 4 -4.813 4.510 5.894 28 HA ASP 4 HA ASP 4 -2.412 2.906 6.378 29 HB2 ASP 4 2HB ASP 4 -5.211 2.673 7.516 30 HB3 ASP 4 3HB ASP 4 -3.826 1.704 8.013 31 H ILE 5 H ILE 5 -1.971 1.558 4.709 32 HA ILE 5 HA ILE 5 -4.164 0.001 3.487 33 HB ILE 5 HB ILE 5 -1.319 0.361 2.488 34 HG12 ILE 5 2HG1 ILE 5 -3.868 1.720 1.556 35 HG13 ILE 5 3HG1 ILE 5 -2.582 2.491 2.475 36 HG21 ILE 5 1HG2 ILE 5 -2.164 -0.573 0.387 37 HG22 ILE 5 2HG2 ILE 5 -3.757 -0.783 1.114 38 HG23 ILE 5 3HG2 ILE 5 -2.383 -1.710 1.719 39 HD11 ILE 5 3HD1 ILE 5 -1.041 2.122 0.608 40 HD12 ILE 5 1HD1 ILE 5 -2.444 3.076 0.134 41 HD13 ILE 5 2HD1 ILE 5 -2.348 1.375 -0.311 42 H ARG 6 H ARG 6 -4.061 -2.290 3.438 43 HA ARG 6 HA ARG 6 -1.681 -3.557 4.564 44 HB2 ARG 6 2HB ARG 6 -2.838 -4.853 6.204 45 HB3 ARG 6 3HB ARG 6 -3.272 -3.170 6.457 46 HG2 ARG 6 2HG ARG 6 -5.411 -3.580 5.284 47 HG3 ARG 6 3HG ARG 6 -4.969 -5.282 5.134 48 HD2 ARG 6 2HD ARG 6 -5.569 -3.717 7.634 49 HD3 ARG 6 3HD ARG 6 -6.381 -5.155 7.025 50 HE ARG 6 HE ARG 6 -3.896 -5.042 8.520 51 HH11 ARG 6 1HH1 ARG 6 -6.032 -6.994 6.640 52 HH12 ARG 6 2HH1 ARG 6 -5.406 -8.475 7.274 53 HH21 ARG 6 1HH2 ARG 6 -3.115 -6.946 9.327 54 HH22 ARG 6 2HH2 ARG 6 -3.756 -8.449 8.761 55 H PHE 7 H PHE 7 -1.036 -5.019 3.173 56 HA PHE 7 HA PHE 7 -2.909 -6.426 1.428 57 HB2 PHE 7 2HB PHE 7 0.120 -6.448 1.604 58 HB3 PHE 7 3HB PHE 7 -0.801 -7.416 0.461 59 HD1 PHE 7 HD2 PHE 7 -0.071 -3.913 1.472 60 HD2 PHE 7 HD1 PHE 7 -1.493 -6.511 -1.595 61 HE1 PHE 7 HE2 PHE 7 -0.047 -2.042 -0.129 62 HE2 PHE 7 HE1 PHE 7 -1.464 -4.644 -3.194 63 HZ PHE 7 HZ PHE 7 -0.740 -2.406 -2.463 64 H ARG 8 H ARG 8 -3.082 -8.727 1.388 65 HA ARG 8 HA ARG 8 -1.919 -10.204 3.644 66 HB2 ARG 8 2HB ARG 8 -4.301 -9.222 4.099 67 HB3 ARG 8 3HB ARG 8 -4.859 -10.496 3.028 68 HG2 ARG 8 2HG ARG 8 -3.212 -10.996 5.504 69 HG3 ARG 8 3HG ARG 8 -4.975 -11.004 5.480 70 HD2 ARG 8 2HD ARG 8 -4.935 -12.825 3.834 71 HD3 ARG 8 3HD ARG 8 -3.170 -12.817 3.871 72 HE ARG 8 HE ARG 8 -3.683 -13.234 6.429 73 HH11 ARG 8 1HH1 ARG 8 -5.121 -14.661 3.648 74 HH12 ARG 8 2HH1 ARG 8 -5.494 -16.136 4.466 75 HH21 ARG 8 1HH2 ARG 8 -4.149 -15.134 7.466 76 HH22 ARG 8 2HH2 ARG 8 -4.935 -16.411 6.603 77 H GLY 9 H GLY 9 -1.025 -12.025 2.883 78 HA2 GLY 9 2HA GLY 9 -2.229 -13.922 1.228 79 HA3 GLY 9 3HA GLY 9 -1.329 -12.842 0.175 80 H ASP 10 H ASP 10 -0.147 -14.860 -0.341 81 HA ASP 10 HA ASP 10 1.871 -15.560 1.714 82 HB2 ASP 10 2HB ASP 10 0.911 -17.332 -0.542 83 HB3 ASP 10 3HB ASP 10 1.905 -17.795 0.837 84 H ASP 11 H ASP 11 1.359 -14.494 -1.525 85 HA ASP 11 HA ASP 11 3.659 -15.439 -2.811 86 HB2 ASP 11 2HB ASP 11 2.092 -12.917 -3.401 87 HB3 ASP 11 3HB ASP 11 3.160 -13.766 -4.519 88 H LEU 12 H LEU 12 5.726 -14.991 -2.482 89 HA LEU 12 HA LEU 12 6.641 -12.952 -0.731 90 HB2 LEU 12 2HB LEU 12 7.812 -15.090 -1.038 91 HB3 LEU 12 3HB LEU 12 8.181 -14.658 -2.697 92 HG LEU 12 HG LEU 12 9.575 -12.779 -1.888 93 HD11 LEU 12 1HD1 LEU 12 8.982 -13.898 0.851 94 HD12 LEU 12 2HD1 LEU 12 8.481 -12.325 0.231 95 HD13 LEU 12 3HD1 LEU 12 10.192 -12.667 0.487 96 HD21 LEU 12 3HD2 LEU 12 10.308 -15.480 -0.749 97 HD22 LEU 12 1HD2 LEU 12 11.424 -14.145 -1.040 98 HD23 LEU 12 2HD2 LEU 12 10.610 -14.924 -2.396 99 H GLU 13 H GLU 13 6.723 -13.272 -4.267 100 HA GLU 13 HA GLU 13 8.265 -11.067 -4.925 101 HB2 GLU 13 2HB GLU 13 5.912 -12.235 -6.428 102 HB3 GLU 13 3HB GLU 13 7.009 -11.039 -7.101 103 HG2 GLU 13 2HG GLU 13 7.657 -13.178 -7.917 104 HG3 GLU 13 3HG GLU 13 8.879 -12.638 -6.767 105 H ALA 14 H ALA 14 4.919 -11.153 -3.900 106 HA ALA 14 HA ALA 14 4.003 -8.668 -4.748 107 HB1 ALA 14 3HB ALA 14 2.564 -10.369 -3.734 108 HB2 ALA 14 1HB ALA 14 2.375 -8.810 -2.932 109 HB3 ALA 14 2HB ALA 14 3.326 -10.085 -2.168 110 H PHE 15 H PHE 15 5.893 -9.486 -1.862 111 HA PHE 15 HA PHE 15 5.857 -7.070 -0.511 112 HB2 PHE 15 2HB PHE 15 6.854 -9.132 0.389 113 HB3 PHE 15 3HB PHE 15 8.168 -9.018 -0.776 114 HD1 PHE 15 HD2 PHE 15 6.648 -7.398 2.187 115 HD2 PHE 15 HD1 PHE 15 10.072 -7.670 -0.338 116 HE1 PHE 15 HE2 PHE 15 7.944 -6.066 3.799 117 HE2 PHE 15 HE1 PHE 15 11.367 -6.340 1.273 118 HZ PHE 15 HZ PHE 15 10.306 -5.532 3.341 119 H GLU 16 H GLU 16 8.353 -8.101 -2.883 120 HA GLU 16 HA GLU 16 9.682 -5.600 -2.916 121 HB2 GLU 16 2HB GLU 16 10.755 -7.683 -3.683 122 HB3 GLU 16 3HB GLU 16 9.659 -7.743 -5.058 123 HG2 GLU 16 2HG GLU 16 10.597 -5.474 -5.729 124 HG3 GLU 16 3HG GLU 16 11.839 -5.737 -4.508 125 H LYS 17 H LYS 17 7.440 -7.039 -5.298 126 HA LYS 17 HA LYS 17 7.667 -4.961 -7.170 127 HB2 LYS 17 2HB LYS 17 5.301 -6.814 -6.830 128 HB3 LYS 17 3HB LYS 17 5.768 -5.955 -8.293 129 HG2 LYS 17 2HG LYS 17 7.287 -8.185 -6.946 130 HG3 LYS 17 3HG LYS 17 6.404 -8.273 -8.469 131 HD2 LYS 17 2HD LYS 17 7.965 -6.714 -9.499 132 HD3 LYS 17 3HD LYS 17 8.816 -6.520 -7.965 133 HE2 LYS 17 2HE LYS 17 9.393 -8.915 -8.003 134 HE3 LYS 17 3HE LYS 17 8.587 -9.076 -9.563 135 HZ1 LYS 17 3HZ LYS 17 10.953 -7.377 -8.985 136 HZ2 LYS 17 1HZ LYS 17 10.164 -7.472 -10.480 137 HZ3 LYS 17 2HZ LYS 17 10.956 -8.828 -9.850 138 H ALA 18 H ALA 18 5.146 -5.498 -4.713 139 HA ALA 18 HA ALA 18 3.658 -3.159 -5.411 140 HB1 ALA 18 3HB ALA 18 3.504 -4.855 -2.920 141 HB2 ALA 18 1HB ALA 18 2.602 -5.131 -4.410 142 HB3 ALA 18 2HB ALA 18 2.304 -3.677 -3.458 143 H LEU 19 H LEU 19 5.596 -3.954 -2.488 144 HA LEU 19 HA LEU 19 5.202 -1.457 -1.246 145 HB2 LEU 19 2HB LEU 19 5.863 -3.424 0.001 146 HB3 LEU 19 3HB LEU 19 7.381 -3.507 -0.870 147 HG LEU 19 HG LEU 19 8.057 -1.342 0.164 148 HD11 LEU 19 1HD1 LEU 19 6.804 -0.491 2.082 149 HD12 LEU 19 2HD1 LEU 19 5.546 -1.696 1.797 150 HD13 LEU 19 3HD1 LEU 19 5.840 -0.429 0.607 151 HD21 LEU 19 3HD2 LEU 19 8.790 -3.463 1.122 152 HD22 LEU 19 1HD2 LEU 19 7.322 -3.540 2.101 153 HD23 LEU 19 2HD2 LEU 19 8.509 -2.266 2.385 154 H LYS 20 H LYS 20 8.078 -2.659 -3.022 155 HA LYS 20 HA LYS 20 9.628 -0.335 -2.674 156 HB2 LYS 20 2HB LYS 20 10.311 -2.702 -3.509 157 HB3 LYS 20 3HB LYS 20 9.883 -2.099 -5.102 158 HG2 LYS 20 2HG LYS 20 12.258 -1.883 -4.750 159 HG3 LYS 20 3HG LYS 20 11.525 -0.278 -4.835 160 HD2 LYS 20 2HD LYS 20 11.587 -0.083 -2.415 161 HD3 LYS 20 3HD LYS 20 12.189 -1.734 -2.267 162 HE2 LYS 20 2HE LYS 20 13.991 -0.110 -1.990 163 HE3 LYS 20 3HE LYS 20 14.243 -1.097 -3.431 164 HZ1 LYS 20 3HZ LYS 20 13.409 0.711 -4.782 165 HZ2 LYS 20 1HZ LYS 20 14.703 1.247 -3.836 166 HZ3 LYS 20 2HZ LYS 20 13.117 1.654 -3.412 167 H GLU 21 H GLU 21 7.234 -1.203 -5.091 168 HA GLU 21 HA GLU 21 7.602 0.938 -6.891 169 HB2 GLU 21 2HB GLU 21 6.409 -1.143 -7.392 170 HB3 GLU 21 3HB GLU 21 5.191 -0.753 -6.190 171 HG2 GLU 21 2HG GLU 21 4.308 -0.358 -8.325 172 HG3 GLU 21 3HG GLU 21 4.550 1.200 -7.545 173 H MET 22 H MET 22 5.446 0.503 -4.079 174 HA MET 22 HA MET 22 4.170 3.019 -4.226 175 HB2 MET 22 2HB MET 22 4.643 1.196 -1.856 176 HB3 MET 22 3HB MET 22 3.569 2.587 -1.837 177 HG2 MET 22 2HG MET 22 2.149 1.576 -3.499 178 HG3 MET 22 3HG MET 22 3.272 0.233 -3.694 179 HE1 MET 22 3HE MET 22 2.165 1.993 -0.341 180 HE2 MET 22 1HE MET 22 0.806 0.975 0.139 181 HE3 MET 22 2HE MET 22 0.686 1.980 -1.304 182 H ILE 23 H ILE 23 7.015 1.949 -2.365 183 HA ILE 23 HA ILE 23 7.621 4.406 -1.138 184 HB ILE 23 HB ILE 23 9.527 2.218 -2.007 185 HG12 ILE 23 2HG1 ILE 23 8.180 2.731 0.659 186 HG13 ILE 23 3HG1 ILE 23 7.773 1.440 -0.467 187 HG21 ILE 23 1HG2 ILE 23 10.728 4.307 -1.605 188 HG22 ILE 23 2HG2 ILE 23 11.078 3.130 -0.341 189 HG23 ILE 23 3HG2 ILE 23 9.960 4.455 -0.023 190 HD11 ILE 23 3HD1 ILE 23 10.385 1.756 0.997 191 HD12 ILE 23 1HD1 ILE 23 9.993 0.468 -0.145 192 HD13 ILE 23 2HD1 ILE 23 9.101 0.603 1.371 193 H ARG 24 H ARG 24 8.546 3.076 -4.281 194 HA ARG 24 HA ARG 24 10.331 4.931 -5.243 195 HB2 ARG 24 2HB ARG 24 9.846 3.025 -6.561 196 HB3 ARG 24 3HB ARG 24 8.130 3.385 -6.598 197 HG2 ARG 24 2HG ARG 24 8.601 5.350 -8.026 198 HG3 ARG 24 3HG ARG 24 10.307 4.888 -8.045 199 HD2 ARG 24 2HD ARG 24 9.818 2.840 -9.167 200 HD3 ARG 24 3HD ARG 24 8.085 3.047 -8.923 201 HE ARG 24 HE ARG 24 8.753 5.210 -10.400 202 HH11 ARG 24 1HH1 ARG 24 9.311 1.841 -10.780 203 HH12 ARG 24 2HH1 ARG 24 9.278 1.916 -12.504 204 HH21 ARG 24 1HH2 ARG 24 8.674 5.285 -12.624 205 HH22 ARG 24 2HH2 ARG 24 8.919 3.831 -13.531 206 H GLN 25 H GLN 25 6.771 5.125 -5.635 207 HA GLN 25 HA GLN 25 6.710 7.748 -6.643 208 HB2 GLN 25 2HB GLN 25 4.703 5.961 -5.323 209 HB3 GLN 25 3HB GLN 25 4.299 7.660 -5.536 210 HG2 GLN 25 2HG GLN 25 3.470 6.193 -7.353 211 HG3 GLN 25 3HG GLN 25 4.513 7.495 -7.908 212 HE21 GLN 25 1HE2 GLN 25 4.192 4.074 -7.488 213 HE22 GLN 25 2HE2 GLN 25 5.560 3.624 -8.440 214 H ALA 26 H ALA 26 6.522 6.571 -3.298 215 HA ALA 26 HA ALA 26 6.107 9.021 -2.011 216 HB1 ALA 26 3HB ALA 26 7.630 6.628 -0.984 217 HB2 ALA 26 1HB ALA 26 5.886 6.868 -0.884 218 HB3 ALA 26 2HB ALA 26 6.975 7.939 -0.002 219 H ARG 27 H ARG 27 9.024 7.703 -3.417 220 HA ARG 27 HA ARG 27 10.790 9.601 -2.160 221 HB2 ARG 27 2HB ARG 27 11.253 7.857 -4.589 222 HB3 ARG 27 3HB ARG 27 12.490 8.765 -3.730 223 HG2 ARG 27 2HG ARG 27 10.856 6.495 -2.599 224 HG3 ARG 27 3HG ARG 27 12.532 6.400 -3.129 225 HD2 ARG 27 2HD ARG 27 12.509 6.564 -0.737 226 HD3 ARG 27 3HD ARG 27 13.118 8.085 -1.384 227 HE ARG 27 HE ARG 27 10.327 8.247 -0.943 228 HH11 ARG 27 1HH1 ARG 27 13.291 8.136 0.791 229 HH12 ARG 27 2HH1 ARG 27 12.693 9.107 2.090 230 HH21 ARG 27 1HH2 ARG 27 9.575 9.536 0.707 231 HH22 ARG 27 2HH2 ARG 27 10.626 9.921 2.025 232 H LYS 28 H LYS 28 8.920 9.509 -5.132 233 HA LYS 28 HA LYS 28 10.123 11.863 -6.257 234 HB2 LYS 28 2HB LYS 28 7.477 10.523 -6.873 235 HB3 LYS 28 3HB LYS 28 8.201 11.813 -7.826 236 HG2 LYS 28 2HG LYS 28 10.156 10.346 -8.254 237 HG3 LYS 28 3HG LYS 28 9.325 9.046 -7.396 238 HD2 LYS 28 2HD LYS 28 8.332 10.433 -9.894 239 HD3 LYS 28 3HD LYS 28 9.076 8.835 -9.831 240 HE2 LYS 28 2HE LYS 28 7.225 8.069 -8.380 241 HE3 LYS 28 3HE LYS 28 6.478 9.659 -8.526 242 HZ1 LYS 28 3HZ LYS 28 7.012 7.799 -10.778 243 HZ2 LYS 28 1HZ LYS 28 6.268 9.313 -10.899 244 HZ3 LYS 28 2HZ LYS 28 5.505 8.062 -10.056 245 H PHE 29 H PHE 29 7.304 11.206 -4.238 246 HA PHE 29 HA PHE 29 6.630 14.044 -4.046 247 HB2 PHE 29 2HB PHE 29 5.394 11.622 -2.698 248 HB3 PHE 29 3HB PHE 29 4.783 13.267 -2.572 249 HD1 PHE 29 HD1 PHE 29 3.909 14.403 -4.633 250 HD2 PHE 29 HD2 PHE 29 4.825 10.246 -4.544 251 HE1 PHE 29 HE1 PHE 29 2.537 14.061 -6.642 252 HE2 PHE 29 HE2 PHE 29 3.454 9.898 -6.560 253 HZ PHE 29 HZ PHE 29 2.310 11.809 -7.611 254 H ALA 30 H ALA 30 5.942 14.498 -1.483 255 HA ALA 30 HA ALA 30 8.489 14.272 -0.028 256 HB1 ALA 30 3HB ALA 30 7.529 16.509 -0.299 257 HB2 ALA 30 1HB ALA 30 7.633 16.051 1.401 258 HB3 ALA 30 2HB ALA 30 6.080 15.996 0.565 259 H GLY 31 H GLY 31 6.073 12.249 -0.252 260 HA2 GLY 31 2HA GLY 31 5.247 11.989 2.520 261 HA3 GLY 31 3HA GLY 31 4.741 10.975 1.180 262 H THR 32 H THR 32 5.274 9.761 3.524 263 HA THR 32 HA THR 32 7.746 8.270 2.912 264 HB THR 32 HB THR 32 6.872 9.081 5.701 265 HG1 THR 32 HG1 THR 32 8.140 10.527 4.052 266 HG21 THR 32 3HG2 THR 32 9.270 7.465 4.804 267 HG22 THR 32 1HG2 THR 32 7.873 6.837 5.684 268 HG23 THR 32 2HG2 THR 32 8.950 8.003 6.452 269 H VAL 33 H VAL 33 7.581 6.087 3.031 270 HA VAL 33 HA VAL 33 4.946 4.981 3.780 271 HB VAL 33 HB VAL 33 7.002 3.910 1.830 272 HG11 VAL 33 1HG1 VAL 33 5.317 2.202 1.276 273 HG12 VAL 33 2HG1 VAL 33 4.297 2.797 2.586 274 HG13 VAL 33 3HG1 VAL 33 5.862 2.071 2.949 275 HG21 VAL 33 3HG2 VAL 33 5.804 5.840 0.957 276 HG22 VAL 33 1HG2 VAL 33 4.259 5.095 1.373 277 HG23 VAL 33 2HG2 VAL 33 5.281 4.372 0.132 278 H THR 34 H THR 34 4.859 3.754 5.550 279 HA THR 34 HA THR 34 7.254 2.190 6.327 280 HB THR 34 HB THR 34 6.767 3.803 8.079 281 HG1 THR 34 HG1 THR 34 6.076 2.091 9.750 282 HG21 THR 34 3HG2 THR 34 4.004 2.574 8.199 283 HG22 THR 34 1HG2 THR 34 4.386 4.191 7.609 284 HG23 THR 34 2HG2 THR 34 4.644 3.787 9.306 285 H TYR 35 H TYR 35 6.761 0.095 7.420 286 HA TYR 35 HA TYR 35 4.223 -1.136 6.760 287 HB2 TYR 35 2HB TYR 35 5.219 -2.844 5.254 288 HB3 TYR 35 3HB TYR 35 5.298 -1.219 4.584 289 HD1 TYR 35 HD2 TYR 35 7.489 0.023 4.632 290 HD2 TYR 35 HD1 TYR 35 7.214 -4.108 5.634 291 HE1 TYR 35 HE2 TYR 35 9.911 -0.216 4.302 292 HE2 TYR 35 HE1 TYR 35 9.640 -4.353 5.307 293 HH TYR 35 HH TYR 35 11.730 -1.679 5.008 294 H THR 36 H THR 36 3.836 -3.026 7.874 295 HA THR 36 HA THR 36 6.071 -4.155 9.451 296 HB THR 36 HB THR 36 4.687 -2.939 11.013 297 HG1 THR 36 HG1 THR 36 3.687 -5.190 11.938 298 HG21 THR 36 3HG2 THR 36 2.601 -2.846 9.729 299 HG22 THR 36 1HG2 THR 36 2.313 -3.465 11.356 300 HG23 THR 36 2HG2 THR 36 2.357 -4.573 9.985 301 H LEU 37 H LEU 37 6.386 -6.278 9.233 302 HA LEU 37 HA LEU 37 4.477 -7.860 7.699 303 HB2 LEU 37 2HB LEU 37 7.291 -8.346 8.652 304 HB3 LEU 37 3HB LEU 37 6.314 -9.653 8.015 305 HG LEU 37 HG LEU 37 7.824 -8.769 6.313 306 HD11 LEU 37 1HD1 LEU 37 4.933 -8.107 5.741 307 HD12 LEU 37 2HD1 LEU 37 5.688 -9.695 5.594 308 HD13 LEU 37 3HD1 LEU 37 6.193 -8.378 4.535 309 HD21 LEU 37 3HD2 LEU 37 8.028 -6.476 7.123 310 HD22 LEU 37 1HD2 LEU 37 6.353 -6.156 6.669 311 HD23 LEU 37 2HD2 LEU 37 7.554 -6.507 5.425 312 H ASP 38 H ASP 38 3.169 -9.385 8.522 313 HA ASP 38 HA ASP 38 3.656 -10.416 11.228 314 HB2 ASP 38 2HB ASP 38 1.962 -8.495 11.200 315 HB3 ASP 38 3HB ASP 38 0.896 -9.581 10.313 316 H GLY 39 H GLY 39 4.399 -12.296 10.076 317 HA2 GLY 39 2HA GLY 39 4.165 -14.416 9.219 318 HA3 GLY 39 3HA GLY 39 2.494 -14.339 9.746 319 H ASN 40 H ASN 40 0.900 -13.552 8.262 320 HA ASN 40 HA ASN 40 1.721 -13.695 5.424 321 HB2 ASN 40 2HB ASN 40 -0.707 -14.488 5.080 322 HB3 ASN 40 3HB ASN 40 0.423 -15.623 5.811 323 HD21 ASN 40 1HD2 ASN 40 0.249 -16.087 8.011 324 HD22 ASN 40 2HD2 ASN 40 -1.188 -15.739 8.902 325 H ASP 41 H ASP 41 1.018 -11.464 7.574 326 HA ASP 41 HA ASP 41 -0.724 -9.862 5.810 327 HB2 ASP 41 2HB ASP 41 -0.223 -9.633 8.791 328 HB3 ASP 41 3HB ASP 41 -1.173 -8.482 7.855 329 H LEU 42 H LEU 42 0.156 -8.152 4.806 330 HA LEU 42 HA LEU 42 2.601 -6.925 5.924 331 HB2 LEU 42 2HB LEU 42 3.147 -7.924 3.819 332 HB3 LEU 42 3HB LEU 42 1.726 -7.241 3.052 333 HG LEU 42 HG LEU 42 2.697 -4.983 3.252 334 HD11 LEU 42 1HD1 LEU 42 5.030 -4.686 3.917 335 HD12 LEU 42 2HD1 LEU 42 5.121 -6.388 4.371 336 HD13 LEU 42 3HD1 LEU 42 4.049 -5.296 5.249 337 HD21 LEU 42 3HD2 LEU 42 4.453 -5.240 1.577 338 HD22 LEU 42 1HD2 LEU 42 3.075 -6.277 1.216 339 HD23 LEU 42 2HD2 LEU 42 4.539 -6.969 1.916 340 H GLU 43 H GLU 43 1.705 -5.310 7.148 341 HA GLU 43 HA GLU 43 -0.421 -3.664 5.990 342 HB2 GLU 43 2HB GLU 43 0.726 -3.619 8.791 343 HB3 GLU 43 3HB GLU 43 -0.718 -2.774 8.241 344 HG2 GLU 43 2HG GLU 43 -1.713 -5.004 7.679 345 HG3 GLU 43 3HG GLU 43 -0.318 -5.755 8.448 346 H ILE 44 H ILE 44 0.108 -1.947 4.857 347 HA ILE 44 HA ILE 44 2.672 -0.569 5.345 348 HB ILE 44 HB ILE 44 1.015 -0.681 2.813 349 HG12 ILE 44 2HG1 ILE 44 3.650 -2.031 3.478 350 HG13 ILE 44 3HG1 ILE 44 2.092 -2.841 3.375 351 HG21 ILE 44 1HG2 ILE 44 2.240 1.409 2.983 352 HG22 ILE 44 2HG2 ILE 44 2.959 0.383 1.743 353 HG23 ILE 44 3HG2 ILE 44 3.734 0.533 3.320 354 HD11 ILE 44 3HD1 ILE 44 1.953 -2.297 1.006 355 HD12 ILE 44 1HD1 ILE 44 3.425 -3.196 1.376 356 HD13 ILE 44 2HD1 ILE 44 3.500 -1.456 1.105 357 H ARG 45 H ARG 45 2.390 1.291 6.454 358 HA ARG 45 HA ARG 45 -0.031 2.910 6.003 359 HB2 ARG 45 2HB ARG 45 0.294 2.416 8.319 360 HB3 ARG 45 3HB ARG 45 1.990 2.872 8.250 361 HG2 ARG 45 2HG ARG 45 1.392 5.202 7.944 362 HG3 ARG 45 3HG ARG 45 -0.319 4.779 7.881 363 HD2 ARG 45 2HD ARG 45 -0.312 4.095 10.174 364 HD3 ARG 45 3HD ARG 45 1.444 4.222 10.265 365 HE ARG 45 HE ARG 45 1.249 6.500 10.519 366 HH11 ARG 45 1HH1 ARG 45 -1.821 5.186 9.659 367 HH12 ARG 45 2HH1 ARG 45 -2.659 6.651 10.006 368 HH21 ARG 45 1HH2 ARG 45 0.166 8.370 10.953 369 HH22 ARG 45 2HH2 ARG 45 -1.538 8.457 10.709 370 H ILE 46 H ILE 46 0.071 4.785 4.903 371 HA ILE 46 HA ILE 46 2.738 5.926 4.321 372 HB ILE 46 HB ILE 46 0.190 6.267 2.717 373 HG12 ILE 46 2HG1 ILE 46 2.639 4.560 2.159 374 HG13 ILE 46 3HG1 ILE 46 1.042 3.955 2.584 375 HG21 ILE 46 1HG2 ILE 46 3.036 7.095 2.107 376 HG22 ILE 46 2HG2 ILE 46 1.711 8.176 2.541 377 HG23 ILE 46 3HG2 ILE 46 1.653 7.278 1.026 378 HD11 ILE 46 3HD1 ILE 46 1.769 5.461 0.080 379 HD12 ILE 46 1HD1 ILE 46 0.149 4.911 0.510 380 HD13 ILE 46 2HD1 ILE 46 1.429 3.737 0.215 381 H THR 47 H THR 47 3.204 7.941 4.974 382 HA THR 47 HA THR 47 1.006 9.668 5.961 383 HB THR 47 HB THR 47 3.789 9.323 7.103 384 HG1 THR 47 HG1 THR 47 1.323 9.181 8.498 385 HG21 THR 47 3HG2 THR 47 1.700 11.373 7.876 386 HG22 THR 47 1HG2 THR 47 3.243 11.716 7.094 387 HG23 THR 47 2HG2 THR 47 3.211 11.069 8.734 388 H GLY 48 H GLY 48 1.004 11.802 5.378 389 HA2 GLY 48 2HA GLY 48 1.858 13.830 4.581 390 HA3 GLY 48 3HA GLY 48 3.357 13.019 4.163 391 H VAL 49 H VAL 49 -0.004 12.329 3.164 392 HA VAL 49 HA VAL 49 0.791 12.938 0.387 393 HB VAL 49 HB VAL 49 -0.736 11.137 -0.389 394 HG11 VAL 49 1HG1 VAL 49 1.485 10.239 1.449 395 HG12 VAL 49 2HG1 VAL 49 1.649 10.710 -0.243 396 HG13 VAL 49 3HG1 VAL 49 0.745 9.256 0.184 397 HG21 VAL 49 3HG2 VAL 49 -1.500 9.417 1.199 398 HG22 VAL 49 1HG2 VAL 49 -2.205 10.992 1.566 399 HG23 VAL 49 2HG2 VAL 49 -0.869 10.375 2.539 400 HA PRO 50 HA PRO 50 -2.907 15.480 0.428 401 HB2 PRO 50 2HB PRO 50 -2.871 16.289 -2.133 402 HB3 PRO 50 3HB PRO 50 -1.657 16.840 -0.971 403 HG2 PRO 50 2HG PRO 50 -1.446 14.704 -3.060 404 HG3 PRO 50 3HG PRO 50 -0.268 15.952 -2.612 405 HD2 PRO 50 2HD PRO 50 -0.166 13.342 -1.731 406 HD3 PRO 50 3HD PRO 50 0.556 14.715 -0.867 407 H GLU 51 H GLU 51 -4.990 15.678 -0.788 408 HA GLU 51 HA GLU 51 -6.344 13.256 -0.922 409 HB2 GLU 51 2HB GLU 51 -8.195 14.552 -1.951 410 HB3 GLU 51 3HB GLU 51 -7.515 15.322 -0.527 411 HG2 GLU 51 2HG GLU 51 -6.207 16.819 -1.980 412 HG3 GLU 51 3HG GLU 51 -6.946 16.070 -3.392 413 H GLN 52 H GLN 52 -5.156 15.217 -3.666 414 HA GLN 52 HA GLN 52 -6.259 13.663 -5.717 415 HB2 GLN 52 2HB GLN 52 -4.636 14.761 -7.205 416 HB3 GLN 52 3HB GLN 52 -5.406 15.905 -6.114 417 HG2 GLN 52 2HG GLN 52 -3.405 15.884 -4.692 418 HG3 GLN 52 3HG GLN 52 -2.633 14.752 -5.802 419 HE21 GLN 52 1HE2 GLN 52 -0.951 16.191 -6.241 420 HE22 GLN 52 2HE2 GLN 52 -1.171 17.600 -7.211 421 H VAL 53 H VAL 53 -3.112 13.357 -4.115 422 HA VAL 53 HA VAL 53 -2.192 11.300 -5.907 423 HB VAL 53 HB VAL 53 -1.049 12.220 -3.257 424 HG11 VAL 53 1HG1 VAL 53 0.157 10.457 -5.395 425 HG12 VAL 53 2HG1 VAL 53 -0.259 9.986 -3.747 426 HG13 VAL 53 3HG1 VAL 53 1.046 11.140 -4.031 427 HG21 VAL 53 3HG2 VAL 53 -0.282 12.935 -6.091 428 HG22 VAL 53 1HG2 VAL 53 0.547 13.476 -4.631 429 HG23 VAL 53 2HG2 VAL 53 -1.112 13.989 -4.944 430 H ARG 54 H ARG 54 -3.781 11.385 -2.778 431 HA ARG 54 HA ARG 54 -3.354 8.778 -1.889 432 HB2 ARG 54 2HB ARG 54 -4.530 10.716 -0.699 433 HB3 ARG 54 3HB ARG 54 -5.974 10.264 -1.588 434 HG2 ARG 54 2HG ARG 54 -4.498 8.371 0.242 435 HG3 ARG 54 3HG ARG 54 -5.820 9.406 0.773 436 HD2 ARG 54 2HD ARG 54 -5.946 7.213 -1.296 437 HD3 ARG 54 3HD ARG 54 -6.673 7.203 0.309 438 HE ARG 54 HE ARG 54 -7.750 9.388 -0.940 439 HH11 ARG 54 1HH1 ARG 54 -7.630 6.016 -1.608 440 HH12 ARG 54 2HH1 ARG 54 -9.135 6.016 -2.453 441 HH21 ARG 54 1HH2 ARG 54 -9.664 9.379 -2.035 442 HH22 ARG 54 2HH2 ARG 54 -10.274 7.902 -2.697 443 H LYS 55 H LYS 55 -5.926 10.001 -4.059 444 HA LYS 55 HA LYS 55 -7.257 7.589 -4.537 445 HB2 LYS 55 2HB LYS 55 -6.818 9.942 -6.389 446 HB3 LYS 55 3HB LYS 55 -7.924 8.619 -6.731 447 HG2 LYS 55 2HG LYS 55 -9.187 9.184 -4.680 448 HG3 LYS 55 3HG LYS 55 -8.111 10.561 -4.430 449 HD2 LYS 55 2HD LYS 55 -10.197 11.257 -5.511 450 HD3 LYS 55 3HD LYS 55 -8.812 11.510 -6.578 451 HE2 LYS 55 2HE LYS 55 -9.349 9.400 -7.737 452 HE3 LYS 55 3HE LYS 55 -10.750 9.191 -6.689 453 HZ1 LYS 55 3HZ LYS 55 -11.403 10.130 -8.792 454 HZ2 LYS 55 1HZ LYS 55 -10.318 11.415 -8.610 455 HZ3 LYS 55 2HZ LYS 55 -11.644 11.272 -7.571 456 H GLU 56 H GLU 56 -4.431 8.963 -6.180 457 HA GLU 56 HA GLU 56 -4.158 6.971 -8.163 458 HB2 GLU 56 2HB GLU 56 -2.031 8.752 -6.940 459 HB3 GLU 56 3HB GLU 56 -1.868 7.848 -8.441 460 HG2 GLU 56 2HG GLU 56 -3.713 9.150 -9.415 461 HG3 GLU 56 3HG GLU 56 -3.837 10.073 -7.919 462 H LEU 57 H LEU 57 -2.771 7.262 -4.906 463 HA LEU 57 HA LEU 57 -1.167 4.942 -4.985 464 HB2 LEU 57 2HB LEU 57 -2.501 6.298 -2.634 465 HB3 LEU 57 3HB LEU 57 -1.273 5.050 -2.496 466 HG LEU 57 HG LEU 57 -0.884 7.782 -3.742 467 HD11 LEU 57 1HD1 LEU 57 0.521 8.246 -1.815 468 HD12 LEU 57 2HD1 LEU 57 0.160 6.655 -1.144 469 HD13 LEU 57 3HD1 LEU 57 -1.122 7.857 -1.309 470 HD21 LEU 57 3HD2 LEU 57 1.496 7.172 -3.821 471 HD22 LEU 57 1HD2 LEU 57 0.510 6.123 -4.840 472 HD23 LEU 57 2HD2 LEU 57 1.092 5.543 -3.277 473 H ALA 58 H ALA 58 -4.546 5.421 -3.975 474 HA ALA 58 HA ALA 58 -5.089 2.766 -3.177 475 HB1 ALA 58 3HB ALA 58 -6.571 4.632 -2.627 476 HB2 ALA 58 1HB ALA 58 -7.453 3.353 -3.464 477 HB3 ALA 58 2HB ALA 58 -6.989 4.817 -4.330 478 H LYS 59 H LYS 59 -5.528 4.395 -6.298 479 HA LYS 59 HA LYS 59 -6.622 2.322 -7.801 480 HB2 LYS 59 2HB LYS 59 -6.438 4.634 -8.606 481 HB3 LYS 59 3HB LYS 59 -4.689 4.488 -8.675 482 HG2 LYS 59 2HG LYS 59 -4.969 2.696 -10.390 483 HG3 LYS 59 3HG LYS 59 -6.702 3.029 -10.381 484 HD2 LYS 59 2HD LYS 59 -5.615 4.192 -12.227 485 HD3 LYS 59 3HD LYS 59 -6.256 5.350 -11.057 486 HE2 LYS 59 2HE LYS 59 -4.020 5.624 -10.099 487 HE3 LYS 59 3HE LYS 59 -3.376 4.443 -11.239 488 HZ1 LYS 59 3HZ LYS 59 -4.631 7.028 -11.979 489 HZ2 LYS 59 1HZ LYS 59 -3.951 5.909 -13.049 490 HZ3 LYS 59 2HZ LYS 59 -2.970 6.726 -11.943 491 H GLU 60 H GLU 60 -3.240 3.029 -7.047 492 HA GLU 60 HA GLU 60 -2.117 0.924 -8.603 493 HB2 GLU 60 2HB GLU 60 -0.881 2.945 -7.767 494 HB3 GLU 60 3HB GLU 60 -0.951 2.267 -6.148 495 HG2 GLU 60 2HG GLU 60 1.208 1.816 -7.035 496 HG3 GLU 60 3HG GLU 60 0.326 0.293 -6.988 497 H ALA 61 H ALA 61 -2.810 1.224 -5.119 498 HA ALA 61 HA ALA 61 -1.817 -1.186 -4.207 499 HB1 ALA 61 3HB ALA 61 -2.566 0.633 -2.745 500 HB2 ALA 61 1HB ALA 61 -3.270 -0.913 -2.272 501 HB3 ALA 61 2HB ALA 61 -4.242 0.269 -3.149 502 H GLU 62 H GLU 62 -5.192 -0.560 -5.243 503 HA GLU 62 HA GLU 62 -6.201 -3.124 -4.745 504 HB2 GLU 62 2HB GLU 62 -7.070 -1.186 -6.905 505 HB3 GLU 62 3HB GLU 62 -8.012 -2.549 -6.311 506 HG2 GLU 62 2HG GLU 62 -8.083 -1.513 -4.081 507 HG3 GLU 62 3HG GLU 62 -7.182 -0.133 -4.706 508 H ARG 63 H ARG 63 -4.540 -1.855 -7.593 509 HA ARG 63 HA ARG 63 -4.848 -4.213 -9.179 510 HB2 ARG 63 2HB ARG 63 -4.452 -2.283 -10.431 511 HB3 ARG 63 3HB ARG 63 -3.176 -1.724 -9.364 512 HG2 ARG 63 2HG ARG 63 -2.680 -4.238 -10.876 513 HG3 ARG 63 3HG ARG 63 -2.690 -2.726 -11.785 514 HD2 ARG 63 2HD ARG 63 -0.933 -1.817 -10.454 515 HD3 ARG 63 3HD ARG 63 -1.052 -3.126 -9.282 516 HE ARG 63 HE ARG 63 -0.387 -4.469 -11.479 517 HH11 ARG 63 1HH1 ARG 63 0.894 -1.525 -10.212 518 HH12 ARG 63 2HH1 ARG 63 2.497 -1.867 -10.774 519 HH21 ARG 63 1HH2 ARG 63 1.684 -4.895 -12.158 520 HH22 ARG 63 2HH2 ARG 63 2.933 -3.733 -11.859 521 H LEU 64 H LEU 64 -2.327 -3.036 -6.983 522 HA LEU 64 HA LEU 64 -0.319 -4.898 -7.525 523 HB2 LEU 64 2HB LEU 64 -1.041 -3.589 -4.895 524 HB3 LEU 64 3HB LEU 64 0.460 -4.444 -5.199 525 HG LEU 64 HG LEU 64 -0.422 -1.961 -6.685 526 HD11 LEU 64 1HD1 LEU 64 1.586 -2.258 -4.452 527 HD12 LEU 64 2HD1 LEU 64 0.023 -1.447 -4.348 528 HD13 LEU 64 3HD1 LEU 64 1.289 -0.790 -5.384 529 HD21 LEU 64 3HD2 LEU 64 2.221 -3.418 -6.656 530 HD22 LEU 64 1HD2 LEU 64 1.866 -1.924 -7.525 531 HD23 LEU 64 2HD2 LEU 64 1.058 -3.423 -7.981 532 H ALA 65 H ALA 65 -2.995 -5.105 -5.194 533 HA ALA 65 HA ALA 65 -2.408 -7.681 -4.206 534 HB1 ALA 65 3HB ALA 65 -4.722 -7.687 -3.396 535 HB2 ALA 65 1HB ALA 65 -5.070 -6.271 -4.390 536 HB3 ALA 65 2HB ALA 65 -3.920 -6.155 -3.060 537 H LYS 66 H LYS 66 -4.709 -6.652 -6.731 538 HA LYS 66 HA LYS 66 -5.712 -9.108 -7.510 539 HB2 LYS 66 2HB LYS 66 -5.194 -6.570 -9.040 540 HB3 LYS 66 3HB LYS 66 -5.885 -7.974 -9.839 541 HG2 LYS 66 2HG LYS 66 -7.093 -6.704 -7.388 542 HG3 LYS 66 3HG LYS 66 -7.533 -6.254 -9.036 543 HD2 LYS 66 2HD LYS 66 -7.676 -9.112 -8.092 544 HD3 LYS 66 3HD LYS 66 -9.001 -7.984 -7.814 545 HE2 LYS 66 2HE LYS 66 -9.380 -9.312 -9.834 546 HE3 LYS 66 3HE LYS 66 -9.210 -7.602 -10.214 547 HZ1 LYS 66 3HZ LYS 66 -7.053 -9.628 -10.517 548 HZ2 LYS 66 1HZ LYS 66 -6.967 -8.001 -10.970 549 HZ3 LYS 66 2HZ LYS 66 -8.018 -9.049 -11.774 550 H GLU 67 H GLU 67 -2.714 -7.553 -8.628 551 HA GLU 67 HA GLU 67 -2.119 -9.375 -10.687 552 HB2 GLU 67 2HB GLU 67 -1.096 -7.117 -10.398 553 HB3 GLU 67 3HB GLU 67 -0.152 -7.750 -9.057 554 HG2 GLU 67 2HG GLU 67 1.031 -9.253 -10.519 555 HG3 GLU 67 3HG GLU 67 -0.013 -8.821 -11.873 556 H PHE 68 H PHE 68 -1.658 -9.634 -7.242 557 HA PHE 68 HA PHE 68 -0.265 -12.211 -7.655 558 HB2 PHE 68 2HB PHE 68 -0.205 -10.363 -5.254 559 HB3 PHE 68 3HB PHE 68 0.560 -11.951 -5.315 560 HD1 PHE 68 HD1 PHE 68 2.499 -12.347 -6.770 561 HD2 PHE 68 HD2 PHE 68 0.766 -8.472 -6.391 562 HE1 PHE 68 HE1 PHE 68 4.501 -11.353 -7.789 563 HE2 PHE 68 HE2 PHE 68 2.773 -7.474 -7.411 564 HZ PHE 68 HZ PHE 68 4.640 -8.917 -8.114 565 H ASN 69 H ASN 69 -3.254 -11.227 -7.337 566 HA ASN 69 HA ASN 69 -5.215 -12.184 -6.707 567 HB2 ASN 69 2HB ASN 69 -3.419 -14.578 -6.266 568 HB3 ASN 69 3HB ASN 69 -5.175 -14.646 -6.167 569 HD21 ASN 69 1HD2 ASN 69 -6.383 -14.430 -8.032 570 HD22 ASN 69 2HD2 ASN 69 -5.685 -14.577 -9.605 571 H ILE 70 H ILE 70 -3.295 -10.995 -4.593 572 HA ILE 70 HA ILE 70 -4.191 -12.390 -2.184 573 HB ILE 70 HB ILE 70 -2.643 -10.941 -0.957 574 HG12 ILE 70 2HG1 ILE 70 -2.028 -9.721 -3.666 575 HG13 ILE 70 3HG1 ILE 70 -2.840 -8.913 -2.328 576 HG21 ILE 70 1HG2 ILE 70 -0.545 -11.801 -1.909 577 HG22 ILE 70 2HG2 ILE 70 -1.393 -12.207 -3.401 578 HG23 ILE 70 3HG2 ILE 70 -1.806 -13.033 -1.899 579 HD11 ILE 70 3HD1 ILE 70 -0.521 -8.226 -2.507 580 HD12 ILE 70 1HD1 ILE 70 0.004 -9.900 -2.328 581 HD13 ILE 70 2HD1 ILE 70 -0.807 -9.081 -0.991 582 H THR 71 H THR 71 -4.896 -11.024 -0.297 583 HA THR 71 HA THR 71 -7.074 -9.281 -1.170 584 HB THR 71 HB THR 71 -6.415 -10.299 1.616 585 HG1 THR 71 HG1 THR 71 -8.596 -11.236 0.105 586 HG21 THR 71 3HG2 THR 71 -7.790 -8.280 1.686 587 HG22 THR 71 1HG2 THR 71 -8.748 -9.688 2.144 588 HG23 THR 71 2HG2 THR 71 -8.921 -8.990 0.534 589 H VAL 72 H VAL 72 -7.382 -7.125 -0.434 590 HA VAL 72 HA VAL 72 -5.325 -5.902 1.227 591 HB VAL 72 HB VAL 72 -4.454 -5.678 -1.090 592 HG11 VAL 72 1HG1 VAL 72 -6.918 -3.995 -1.577 593 HG12 VAL 72 2HG1 VAL 72 -6.579 -5.569 -2.297 594 HG13 VAL 72 3HG1 VAL 72 -5.556 -4.187 -2.683 595 HG21 VAL 72 3HG2 VAL 72 -3.994 -3.264 -0.982 596 HG22 VAL 72 1HG2 VAL 72 -3.845 -4.033 0.600 597 HG23 VAL 72 2HG2 VAL 72 -5.278 -3.078 0.214 598 H THR 73 H THR 73 -6.144 -4.384 2.544 599 HA THR 73 HA THR 73 -8.593 -2.939 1.740 600 HB THR 73 HB THR 73 -9.413 -2.928 4.042 601 HG1 THR 73 HG1 THR 73 -7.994 -3.296 5.555 602 HG21 THR 73 3HG2 THR 73 -10.183 -4.761 2.621 603 HG22 THR 73 1HG2 THR 73 -10.025 -5.297 4.294 604 HG23 THR 73 2HG2 THR 73 -8.796 -5.739 3.108 605 H TYR 74 H TYR 74 -8.783 -0.786 2.705 606 HA TYR 74 HA TYR 74 -6.387 0.256 3.992 607 HB2 TYR 74 2HB TYR 74 -6.335 2.193 2.318 608 HB3 TYR 74 3HB TYR 74 -5.693 0.645 1.791 609 HD1 TYR 74 HD1 TYR 74 -8.661 2.875 1.531 610 HD2 TYR 74 HD2 TYR 74 -6.562 -0.441 -0.122 611 HE1 TYR 74 HE1 TYR 74 -10.105 2.957 -0.455 612 HE2 TYR 74 HE2 TYR 74 -8.006 -0.367 -2.109 613 HH TYR 74 HH TYR 74 -10.063 0.466 -2.887 614 H THR 75 H THR 75 -6.827 1.657 5.521 615 HA THR 75 HA THR 75 -9.499 2.874 5.692 616 HB THR 75 HB THR 75 -7.342 2.692 7.821 617 HG1 THR 75 HG1 THR 75 -8.954 0.794 6.921 618 HG21 THR 75 3HG2 THR 75 -8.868 4.587 8.153 619 HG22 THR 75 1HG2 THR 75 -9.126 3.344 9.378 620 HG23 THR 75 2HG2 THR 75 -10.251 3.500 8.028 621 H ILE 76 H ILE 76 -9.782 5.071 5.630 622 HA ILE 76 HA ILE 76 -7.404 6.708 5.031 623 HB ILE 76 HB ILE 76 -10.320 7.389 4.569 624 HG12 ILE 76 2HG1 ILE 76 -9.694 5.470 3.192 625 HG13 ILE 76 3HG1 ILE 76 -9.872 6.899 2.181 626 HG21 ILE 76 1HG2 ILE 76 -9.450 9.169 3.123 627 HG22 ILE 76 2HG2 ILE 76 -7.800 8.708 3.545 628 HG23 ILE 76 3HG2 ILE 76 -8.879 9.351 4.782 629 HD11 ILE 76 3HD1 ILE 76 -7.434 7.154 2.152 630 HD12 ILE 76 1HD1 ILE 76 -7.958 5.604 1.496 631 HD13 ILE 76 2HD1 ILE 76 -7.283 5.689 3.123 632 H ARG 77 H ARG 77 -6.782 8.382 6.341 633 HA ARG 77 HA ARG 77 -8.712 9.439 8.283 634 HB2 ARG 77 2HB ARG 77 -7.075 9.428 10.102 635 HB3 ARG 77 3HB ARG 77 -7.420 7.797 9.545 636 HG2 ARG 77 2HG ARG 77 -5.324 7.679 8.386 637 HG3 ARG 77 3HG ARG 77 -4.998 9.383 8.702 638 HD2 ARG 77 2HD ARG 77 -3.719 7.954 10.213 639 HD3 ARG 77 3HD ARG 77 -4.889 8.927 11.105 640 HE ARG 77 HE ARG 77 -6.203 6.592 10.662 641 HH11 ARG 77 1HH1 ARG 77 -3.182 7.396 12.105 642 HH12 ARG 77 2HH1 ARG 77 -3.167 6.000 13.116 643 HH21 ARG 77 1HH2 ARG 77 -6.193 4.829 12.000 644 HH22 ARG 77 2HH2 ARG 77 -4.850 4.561 13.057 645 H LEU 78 H LEU 78 -8.661 11.580 8.516 646 HA LEU 78 HA LEU 78 -6.554 13.103 7.130 647 HB2 LEU 78 2HB LEU 78 -8.108 14.941 6.987 648 HB3 LEU 78 3HB LEU 78 -8.868 13.495 6.358 649 HG LEU 78 HG LEU 78 -9.379 14.523 9.158 650 HD11 LEU 78 1HD1 LEU 78 -10.991 15.044 6.657 651 HD12 LEU 78 2HD1 LEU 78 -10.034 16.234 7.541 652 HD13 LEU 78 3HD1 LEU 78 -11.446 15.498 8.299 653 HD21 LEU 78 3HD2 LEU 78 -10.903 12.588 7.404 654 HD22 LEU 78 1HD2 LEU 78 -11.401 13.134 9.005 655 HD23 LEU 78 2HD2 LEU 78 -9.938 12.169 8.819 656 H GLU 79 H GLU 79 -6.021 15.274 8.168 657 HA GLU 79 HA GLU 79 -5.087 14.838 10.809 658 HB2 GLU 79 2HB GLU 79 -4.202 16.439 8.944 659 HB3 GLU 79 3HB GLU 79 -5.350 17.588 9.608 660 HG2 GLU 79 2HG GLU 79 -3.091 16.278 11.121 661 HG3 GLU 79 3HG GLU 79 -3.086 17.917 10.480 662 H HIS 80 H HIS 80 -6.198 14.933 12.637 663 HA HIS 80 HA HIS 80 -8.895 15.856 12.727 664 HB2 HIS 80 2HB HIS 80 -8.687 15.293 15.199 665 HB3 HIS 80 3HB HIS 80 -8.412 13.976 14.065 666 HD1 HIS 80 HD1 HIS 80 -6.713 16.041 16.647 667 HD2 HIS 80 HD2 HIS 80 -5.735 13.041 13.949 668 HE1 HIS 80 HE1 HIS 80 -4.470 15.185 17.378 669 HE2 HIS 80 HE2 HIS 80 -3.809 13.540 15.597 670 H HIS 81 H HIS 81 -8.949 18.039 12.296 671 HA HIS 81 HA HIS 81 -7.684 19.840 14.269 672 HB2 HIS 81 2HB HIS 81 -6.878 20.035 11.912 673 HB3 HIS 81 3HB HIS 81 -8.509 20.470 11.420 674 HD1 HIS 81 HD1 HIS 81 -8.455 22.883 10.879 675 HD2 HIS 81 HD2 HIS 81 -6.269 22.026 14.310 676 HE1 HIS 81 HE1 HIS 81 -7.651 25.099 11.739 677 HE2 HIS 81 HE2 HIS 81 -6.200 24.542 13.717 678 H HIS 82 H HIS 82 -9.047 20.756 15.664 679 HA HIS 82 HA HIS 82 -10.919 21.502 16.691 680 HB2 HIS 82 2HB HIS 82 -11.588 22.283 13.857 681 HB3 HIS 82 3HB HIS 82 -12.675 22.632 15.196 682 HD1 HIS 82 HD1 HIS 82 -12.448 25.059 15.623 683 HD2 HIS 82 HD2 HIS 82 -8.760 23.253 15.001 684 HE1 HIS 82 HE1 HIS 82 -10.746 26.854 16.027 685 HE2 HIS 82 HE2 HIS 82 -8.533 25.682 15.846 686 H HIS 83 H HIS 83 -12.963 20.741 13.952 687 HA HIS 83 HA HIS 83 -14.846 19.482 13.816 688 HB2 HIS 83 2HB HIS 83 -13.185 17.785 13.271 689 HB3 HIS 83 3HB HIS 83 -12.967 17.408 14.977 690 HD1 HIS 83 HD1 HIS 83 -15.688 17.257 12.328 691 HD2 HIS 83 HD2 HIS 83 -14.613 15.432 15.906 692 HE1 HIS 83 HE1 HIS 83 -17.328 15.388 12.649 693 HE2 HIS 83 HE2 HIS 83 -16.755 14.398 14.887 694 H HIS 84 H HIS 84 -16.356 20.382 15.207 695 HA HIS 84 HA HIS 84 -16.734 18.937 17.743 696 HB2 HIS 84 2HB HIS 84 -16.826 21.944 17.415 697 HB3 HIS 84 3HB HIS 84 -17.435 21.093 18.830 698 HD1 HIS 84 HD1 HIS 84 -14.495 22.729 17.622 699 HD2 HIS 84 HD2 HIS 84 -15.249 19.479 20.093 700 HE1 HIS 84 HE1 HIS 84 -12.379 22.366 18.912 701 HE2 HIS 84 HE2 HIS 84 -12.929 20.534 20.538 702 H HIS 85 H HIS 85 -18.837 18.745 18.481 703 HA HIS 85 HA HIS 85 -20.926 18.935 16.484 704 HB2 HIS 85 2HB HIS 85 -20.808 16.936 17.865 705 HB3 HIS 85 3HB HIS 85 -20.937 17.898 19.331 706 HD1 HIS 85 HD1 HIS 85 -23.007 16.913 16.316 707 HD2 HIS 85 HD2 HIS 85 -23.507 18.316 20.194 708 HE1 HIS 85 HE1 HIS 85 -25.475 16.846 16.738 709 HE2 HIS 85 HE2 HIS 85 -25.726 17.487 19.156 Start of MODEL 11 1 H1 MET 1 1H MET 1 -3.902 14.478 6.681 2 H2 MET 1 2H MET 1 -2.572 14.106 5.708 3 H3 MET 1 3H MET 1 -2.610 13.593 7.319 4 HA MET 1 HA MET 1 -4.438 12.133 6.885 5 HB2 MET 1 2HB MET 1 -5.572 13.429 5.179 6 HB3 MET 1 3HB MET 1 -4.223 13.222 4.070 7 HG2 MET 1 2HG MET 1 -4.663 10.832 3.949 8 HG3 MET 1 3HG MET 1 -5.990 11.006 5.096 9 HE1 MET 1 3HE MET 1 -4.673 12.400 1.620 10 HE2 MET 1 1HE MET 1 -5.336 13.805 2.457 11 HE3 MET 1 2HE MET 1 -6.140 13.172 1.021 12 H GLU 2 H GLU 2 -3.088 10.486 7.426 13 HA GLU 2 HA GLU 2 -0.962 9.620 5.643 14 HB2 GLU 2 2HB GLU 2 -2.041 8.312 8.154 15 HB3 GLU 2 3HB GLU 2 -0.561 7.870 7.315 16 HG2 GLU 2 2HG GLU 2 0.425 10.011 7.840 17 HG3 GLU 2 3HG GLU 2 -1.078 10.555 8.584 18 H MET 3 H MET 3 -0.886 7.182 5.092 19 HA MET 3 HA MET 3 -3.575 6.242 4.301 20 HB2 MET 3 2HB MET 3 -2.396 7.235 2.372 21 HB3 MET 3 3HB MET 3 -1.066 6.112 2.608 22 HG2 MET 3 2HG MET 3 -2.386 4.260 1.967 23 HG3 MET 3 3HG MET 3 -3.877 5.193 2.077 24 HE1 MET 3 3HE MET 3 -4.760 4.524 -0.297 25 HE2 MET 3 1HE MET 3 -3.386 3.430 -0.440 26 HE3 MET 3 2HE MET 3 -3.766 4.543 -1.752 27 H ASP 4 H ASP 4 -3.935 4.525 5.558 28 HA ASP 4 HA ASP 4 -1.813 2.615 6.176 29 HB2 ASP 4 2HB ASP 4 -4.695 2.751 7.104 30 HB3 ASP 4 3HB ASP 4 -3.486 1.619 7.701 31 H ILE 5 H ILE 5 -1.581 0.710 5.139 32 HA ILE 5 HA ILE 5 -3.871 -0.477 3.697 33 HB ILE 5 HB ILE 5 -1.067 -0.317 2.552 34 HG12 ILE 5 2HG1 ILE 5 -3.551 1.202 1.690 35 HG13 ILE 5 3HG1 ILE 5 -2.167 1.902 2.523 36 HG21 ILE 5 1HG2 ILE 5 -2.107 -1.208 0.505 37 HG22 ILE 5 2HG2 ILE 5 -3.642 -1.353 1.361 38 HG23 ILE 5 3HG2 ILE 5 -2.256 -2.318 1.867 39 HD11 ILE 5 3HD1 ILE 5 -2.029 2.418 0.193 40 HD12 ILE 5 1HD1 ILE 5 -2.204 0.719 -0.245 41 HD13 ILE 5 2HD1 ILE 5 -0.752 1.271 0.591 42 H ARG 6 H ARG 6 -3.905 -2.766 3.687 43 HA ARG 6 HA ARG 6 -1.555 -4.141 4.828 44 HB2 ARG 6 2HB ARG 6 -4.445 -4.560 5.602 45 HB3 ARG 6 3HB ARG 6 -3.203 -5.768 5.912 46 HG2 ARG 6 2HG ARG 6 -1.957 -4.090 7.244 47 HG3 ARG 6 3HG ARG 6 -3.283 -2.952 6.995 48 HD2 ARG 6 2HD ARG 6 -4.810 -4.375 8.187 49 HD3 ARG 6 3HD ARG 6 -3.609 -5.665 8.279 50 HE ARG 6 HE ARG 6 -2.515 -3.424 9.514 51 HH11 ARG 6 1HH1 ARG 6 -5.183 -5.567 10.018 52 HH12 ARG 6 2HH1 ARG 6 -5.128 -5.378 11.737 53 HH21 ARG 6 1HH2 ARG 6 -2.448 -3.240 11.699 54 HH22 ARG 6 2HH2 ARG 6 -3.591 -4.099 12.679 55 H PHE 7 H PHE 7 -0.731 -5.296 3.224 56 HA PHE 7 HA PHE 7 -2.427 -6.610 1.237 57 HB2 PHE 7 2HB PHE 7 0.577 -6.367 1.521 58 HB3 PHE 7 3HB PHE 7 -0.186 -7.350 0.281 59 HD1 PHE 7 HD2 PHE 7 0.477 -3.926 1.427 60 HD2 PHE 7 HD1 PHE 7 -1.293 -6.333 -1.618 61 HE1 PHE 7 HE2 PHE 7 0.355 -1.965 -0.053 62 HE2 PHE 7 HE1 PHE 7 -1.410 -4.370 -3.101 63 HZ PHE 7 HZ PHE 7 -0.584 -2.187 -2.318 64 H ARG 8 H ARG 8 -2.901 -8.750 1.226 65 HA ARG 8 HA ARG 8 -1.417 -10.561 3.023 66 HB2 ARG 8 2HB ARG 8 -3.546 -9.745 4.092 67 HB3 ARG 8 3HB ARG 8 -4.436 -10.501 2.778 68 HG2 ARG 8 2HG ARG 8 -3.588 -12.695 3.456 69 HG3 ARG 8 3HG ARG 8 -2.674 -11.939 4.766 70 HD2 ARG 8 2HD ARG 8 -4.808 -11.081 5.695 71 HD3 ARG 8 3HD ARG 8 -5.676 -11.956 4.433 72 HE ARG 8 HE ARG 8 -3.938 -13.610 6.024 73 HH11 ARG 8 1HH1 ARG 8 -7.114 -12.313 5.682 74 HH12 ARG 8 2HH1 ARG 8 -7.819 -13.477 6.749 75 HH21 ARG 8 1HH2 ARG 8 -4.851 -15.090 7.389 76 HH22 ARG 8 2HH2 ARG 8 -6.549 -15.024 7.722 77 H GLY 9 H GLY 9 -0.892 -12.484 2.065 78 HA2 GLY 9 2HA GLY 9 -2.448 -13.583 -0.105 79 HA3 GLY 9 3HA GLY 9 -0.952 -12.845 -0.644 80 H ASP 10 H ASP 10 -0.331 -14.920 -1.444 81 HA ASP 10 HA ASP 10 0.340 -16.924 0.620 82 HB2 ASP 10 2HB ASP 10 -0.256 -17.297 -2.324 83 HB3 ASP 10 3HB ASP 10 0.221 -18.587 -1.222 84 H ASP 11 H ASP 11 1.994 -14.571 -0.691 85 HA ASP 11 HA ASP 11 4.424 -16.171 -0.954 86 HB2 ASP 11 2HB ASP 11 3.634 -15.924 -3.259 87 HB3 ASP 11 3HB ASP 11 3.578 -14.172 -3.066 88 H LEU 12 H LEU 12 6.363 -15.076 -0.601 89 HA LEU 12 HA LEU 12 6.163 -12.887 1.255 90 HB2 LEU 12 2HB LEU 12 7.765 -14.698 1.606 91 HB3 LEU 12 3HB LEU 12 8.563 -14.314 0.092 92 HG LEU 12 HG LEU 12 9.198 -12.087 1.050 93 HD11 LEU 12 1HD1 LEU 12 8.114 -13.253 3.615 94 HD12 LEU 12 2HD1 LEU 12 7.447 -11.882 2.728 95 HD13 LEU 12 3HD1 LEU 12 9.041 -11.758 3.469 96 HD21 LEU 12 3HD2 LEU 12 10.779 -13.947 1.048 97 HD22 LEU 12 1HD2 LEU 12 10.138 -14.510 2.592 98 HD23 LEU 12 2HD2 LEU 12 10.975 -12.960 2.494 99 H GLU 13 H GLU 13 7.906 -13.288 -1.863 100 HA GLU 13 HA GLU 13 8.788 -10.610 -1.965 101 HB2 GLU 13 2HB GLU 13 8.563 -12.711 -4.116 102 HB3 GLU 13 3HB GLU 13 9.219 -11.107 -4.424 103 HG2 GLU 13 2HG GLU 13 10.859 -11.583 -2.531 104 HG3 GLU 13 3HG GLU 13 10.320 -13.258 -2.636 105 H ALA 14 H ALA 14 5.809 -12.090 -3.033 106 HA ALA 14 HA ALA 14 4.761 -10.147 -4.708 107 HB1 ALA 14 3HB ALA 14 3.637 -12.273 -4.197 108 HB2 ALA 14 1HB ALA 14 2.553 -10.898 -3.982 109 HB3 ALA 14 2HB ALA 14 3.267 -11.686 -2.575 110 H PHE 15 H PHE 15 4.754 -10.203 -1.134 111 HA PHE 15 HA PHE 15 3.444 -7.722 -0.759 112 HB2 PHE 15 2HB PHE 15 5.519 -9.018 1.029 113 HB3 PHE 15 3HB PHE 15 4.405 -7.742 1.501 114 HD1 PHE 15 HD1 PHE 15 1.851 -8.630 0.445 115 HD2 PHE 15 HD2 PHE 15 4.983 -10.886 2.250 116 HE1 PHE 15 HE1 PHE 15 0.215 -10.308 1.184 117 HE2 PHE 15 HE2 PHE 15 3.350 -12.569 2.985 118 HZ PHE 15 HZ PHE 15 0.966 -12.281 2.455 119 H GLU 16 H GLU 16 6.847 -8.577 -1.154 120 HA GLU 16 HA GLU 16 7.908 -6.010 -0.589 121 HB2 GLU 16 2HB GLU 16 9.146 -8.190 -0.478 122 HB3 GLU 16 3HB GLU 16 9.171 -8.217 -2.233 123 HG2 GLU 16 2HG GLU 16 10.258 -5.786 -0.928 124 HG3 GLU 16 3HG GLU 16 11.183 -7.270 -0.733 125 H LYS 17 H LYS 17 6.785 -7.528 -3.585 126 HA LYS 17 HA LYS 17 7.777 -5.583 -5.392 127 HB2 LYS 17 2HB LYS 17 5.241 -7.217 -5.677 128 HB3 LYS 17 3HB LYS 17 6.097 -6.404 -6.973 129 HG2 LYS 17 2HG LYS 17 7.057 -8.785 -5.391 130 HG3 LYS 17 3HG LYS 17 6.500 -8.778 -7.059 131 HD2 LYS 17 2HD LYS 17 8.756 -8.747 -7.427 132 HD3 LYS 17 3HD LYS 17 8.470 -7.010 -7.328 133 HE2 LYS 17 2HE LYS 17 9.178 -6.996 -5.006 134 HE3 LYS 17 3HE LYS 17 9.355 -8.749 -5.018 135 HZ1 LYS 17 3HZ LYS 17 10.924 -6.896 -6.724 136 HZ2 LYS 17 1HZ LYS 17 11.150 -8.562 -6.562 137 HZ3 LYS 17 2HZ LYS 17 11.463 -7.538 -5.254 138 H ALA 18 H ALA 18 4.557 -5.947 -3.905 139 HA ALA 18 HA ALA 18 3.424 -3.550 -4.810 140 HB1 ALA 18 3HB ALA 18 2.859 -5.034 -2.239 141 HB2 ALA 18 1HB ALA 18 2.114 -5.354 -3.805 142 HB3 ALA 18 2HB ALA 18 1.813 -3.822 -2.983 143 H LEU 19 H LEU 19 5.138 -4.244 -1.777 144 HA LEU 19 HA LEU 19 5.080 -1.732 -0.594 145 HB2 LEU 19 2HB LEU 19 5.872 -3.684 0.585 146 HB3 LEU 19 3HB LEU 19 7.205 -3.880 -0.536 147 HG LEU 19 HG LEU 19 8.178 -1.742 0.299 148 HD11 LEU 19 1HD1 LEU 19 5.977 -1.891 2.361 149 HD12 LEU 19 2HD1 LEU 19 6.134 -0.674 1.094 150 HD13 LEU 19 3HD1 LEU 19 7.339 -0.771 2.376 151 HD21 LEU 19 3HD2 LEU 19 8.929 -3.894 1.177 152 HD22 LEU 19 1HD2 LEU 19 7.675 -3.836 2.417 153 HD23 LEU 19 2HD2 LEU 19 8.978 -2.647 2.421 154 H LYS 20 H LYS 20 7.455 -3.048 -2.896 155 HA LYS 20 HA LYS 20 9.236 -0.883 -2.881 156 HB2 LYS 20 2HB LYS 20 9.605 -3.216 -3.831 157 HB3 LYS 20 3HB LYS 20 8.715 -2.689 -5.252 158 HG2 LYS 20 2HG LYS 20 11.145 -2.558 -5.569 159 HG3 LYS 20 3HG LYS 20 10.371 -0.976 -5.698 160 HD2 LYS 20 2HD LYS 20 11.077 -0.374 -3.478 161 HD3 LYS 20 3HD LYS 20 11.676 -2.006 -3.174 162 HE2 LYS 20 2HE LYS 20 12.770 -0.153 -5.289 163 HE3 LYS 20 3HE LYS 20 13.457 -0.337 -3.678 164 HZ1 LYS 20 3HZ LYS 20 13.261 -2.406 -5.790 165 HZ2 LYS 20 1HZ LYS 20 13.726 -2.735 -4.196 166 HZ3 LYS 20 2HZ LYS 20 14.666 -1.712 -5.161 167 H GLU 21 H GLU 21 6.465 -1.563 -5.016 168 HA GLU 21 HA GLU 21 6.703 0.732 -6.642 169 HB2 GLU 21 2HB GLU 21 4.304 -0.962 -5.924 170 HB3 GLU 21 3HB GLU 21 4.241 0.342 -7.104 171 HG2 GLU 21 2HG GLU 21 6.051 -2.065 -7.294 172 HG3 GLU 21 3HG GLU 21 4.502 -1.892 -8.120 173 H MET 22 H MET 22 4.881 0.198 -3.628 174 HA MET 22 HA MET 22 3.659 2.733 -3.508 175 HB2 MET 22 2HB MET 22 4.438 0.861 -1.262 176 HB3 MET 22 3HB MET 22 3.415 2.277 -1.064 177 HG2 MET 22 2HG MET 22 2.812 -0.154 -2.735 178 HG3 MET 22 3HG MET 22 2.050 0.301 -1.212 179 HE1 MET 22 3HE MET 22 1.691 3.460 -1.571 180 HE2 MET 22 1HE MET 22 0.423 2.407 -0.939 181 HE3 MET 22 2HE MET 22 0.065 3.533 -2.247 182 H ILE 23 H ILE 23 6.757 1.610 -2.148 183 HA ILE 23 HA ILE 23 7.491 4.067 -0.953 184 HB ILE 23 HB ILE 23 9.251 1.833 -2.001 185 HG12 ILE 23 2HG1 ILE 23 8.293 2.461 0.810 186 HG13 ILE 23 3HG1 ILE 23 7.695 1.156 -0.208 187 HG21 ILE 23 1HG2 ILE 23 10.551 3.883 -1.838 188 HG22 ILE 23 2HG2 ILE 23 11.015 2.770 -0.553 189 HG23 ILE 23 3HG2 ILE 23 9.974 4.147 -0.192 190 HD11 ILE 23 3HD1 ILE 23 10.496 1.423 0.864 191 HD12 ILE 23 1HD1 ILE 23 9.915 0.124 -0.178 192 HD13 ILE 23 2HD1 ILE 23 9.248 0.320 1.444 193 H ARG 24 H ARG 24 8.223 2.699 -4.157 194 HA ARG 24 HA ARG 24 9.910 4.672 -5.149 195 HB2 ARG 24 2HB ARG 24 9.475 2.528 -6.284 196 HB3 ARG 24 3HB ARG 24 7.843 3.054 -6.675 197 HG2 ARG 24 2HG ARG 24 8.651 4.721 -8.170 198 HG3 ARG 24 3HG ARG 24 10.313 4.493 -7.626 199 HD2 ARG 24 2HD ARG 24 10.044 3.421 -9.764 200 HD3 ARG 24 3HD ARG 24 10.248 2.186 -8.529 201 HE ARG 24 HE ARG 24 7.923 1.656 -8.737 202 HH11 ARG 24 1HH1 ARG 24 9.115 3.860 -11.101 203 HH12 ARG 24 2HH1 ARG 24 7.848 3.522 -12.223 204 HH21 ARG 24 1HH2 ARG 24 6.317 1.197 -10.208 205 HH22 ARG 24 2HH2 ARG 24 6.297 2.014 -11.733 206 H GLN 25 H GLN 25 6.359 4.542 -5.270 207 HA GLN 25 HA GLN 25 6.070 7.107 -6.510 208 HB2 GLN 25 2HB GLN 25 4.117 5.352 -5.013 209 HB3 GLN 25 3HB GLN 25 3.666 6.857 -5.807 210 HG2 GLN 25 2HG GLN 25 4.295 5.969 -7.960 211 HG3 GLN 25 3HG GLN 25 4.908 4.497 -7.209 212 HE21 GLN 25 1HE2 GLN 25 2.739 4.227 -5.337 213 HE22 GLN 25 2HE2 GLN 25 1.355 3.745 -6.241 214 H ALA 26 H ALA 26 6.007 5.957 -3.164 215 HA ALA 26 HA ALA 26 4.987 8.253 -1.930 216 HB1 ALA 26 3HB ALA 26 5.907 7.368 0.142 217 HB2 ALA 26 1HB ALA 26 6.915 6.242 -0.771 218 HB3 ALA 26 2HB ALA 26 5.158 6.085 -0.809 219 H ARG 27 H ARG 27 8.246 7.533 -3.027 220 HA ARG 27 HA ARG 27 9.698 9.443 -1.605 221 HB2 ARG 27 2HB ARG 27 10.130 8.462 -4.434 222 HB3 ARG 27 3HB ARG 27 11.299 9.412 -3.524 223 HG2 ARG 27 2HG ARG 27 11.209 7.542 -1.782 224 HG3 ARG 27 3HG ARG 27 10.378 6.594 -3.017 225 HD2 ARG 27 2HD ARG 27 12.777 6.123 -3.021 226 HD3 ARG 27 3HD ARG 27 12.284 6.891 -4.532 227 HE ARG 27 HE ARG 27 13.105 8.919 -2.834 228 HH11 ARG 27 1HH1 ARG 27 14.551 6.156 -4.310 229 HH12 ARG 27 2HH1 ARG 27 16.116 6.888 -4.371 230 HH21 ARG 27 1HH2 ARG 27 15.087 9.840 -2.939 231 HH22 ARG 27 2HH2 ARG 27 16.416 8.965 -3.625 232 H LYS 28 H LYS 28 7.520 9.894 -4.299 233 HA LYS 28 HA LYS 28 8.387 12.468 -5.107 234 HB2 LYS 28 2HB LYS 28 5.659 11.173 -5.340 235 HB3 LYS 28 3HB LYS 28 6.144 12.646 -6.171 236 HG2 LYS 28 2HG LYS 28 7.428 9.936 -6.540 237 HG3 LYS 28 3HG LYS 28 6.242 10.668 -7.626 238 HD2 LYS 28 2HD LYS 28 7.785 12.528 -8.061 239 HD3 LYS 28 3HD LYS 28 8.967 11.812 -6.964 240 HE2 LYS 28 2HE LYS 28 9.134 9.848 -8.416 241 HE3 LYS 28 3HE LYS 28 7.932 10.540 -9.504 242 HZ1 LYS 28 3HZ LYS 28 10.587 11.728 -8.896 243 HZ2 LYS 28 1HZ LYS 28 9.441 12.364 -9.963 244 HZ3 LYS 28 2HZ LYS 28 10.188 10.889 -10.306 245 H PHE 29 H PHE 29 6.436 11.404 -2.432 246 HA PHE 29 HA PHE 29 5.323 14.070 -1.968 247 HB2 PHE 29 2HB PHE 29 4.906 11.551 -0.339 248 HB3 PHE 29 3HB PHE 29 3.941 13.023 -0.285 249 HD1 PHE 29 HD1 PHE 29 2.718 13.692 -2.460 250 HD2 PHE 29 HD2 PHE 29 4.275 9.795 -1.729 251 HE1 PHE 29 HE1 PHE 29 1.220 12.773 -4.180 252 HE2 PHE 29 HE2 PHE 29 2.781 8.870 -3.449 253 HZ PHE 29 HZ PHE 29 1.253 10.362 -4.677 254 H ALA 30 H ALA 30 5.816 15.366 -0.215 255 HA ALA 30 HA ALA 30 8.327 14.870 1.128 256 HB1 ALA 30 3HB ALA 30 8.007 17.073 2.133 257 HB2 ALA 30 1HB ALA 30 6.363 17.137 1.501 258 HB3 ALA 30 2HB ALA 30 7.735 17.131 0.391 259 H GLY 31 H GLY 31 7.669 12.885 2.220 260 HA2 GLY 31 2HA GLY 31 6.547 13.431 4.858 261 HA3 GLY 31 3HA GLY 31 5.619 12.331 3.856 262 H THR 32 H THR 32 5.923 10.681 5.421 263 HA THR 32 HA THR 32 8.627 9.471 5.432 264 HB THR 32 HB THR 32 6.728 9.526 7.799 265 HG1 THR 32 HG1 THR 32 9.245 10.853 7.578 266 HG21 THR 32 3HG2 THR 32 9.565 8.497 7.550 267 HG22 THR 32 1HG2 THR 32 8.114 7.516 7.768 268 HG23 THR 32 2HG2 THR 32 8.646 8.601 9.051 269 H VAL 33 H VAL 33 8.712 7.253 5.171 270 HA VAL 33 HA VAL 33 6.118 5.858 4.851 271 HB VAL 33 HB VAL 33 8.739 5.153 3.510 272 HG11 VAL 33 1HG1 VAL 33 7.354 3.673 2.106 273 HG12 VAL 33 2HG1 VAL 33 5.942 4.090 3.079 274 HG13 VAL 33 3HG1 VAL 33 7.291 3.218 3.809 275 HG21 VAL 33 3HG2 VAL 33 7.908 7.287 2.669 276 HG22 VAL 33 1HG2 VAL 33 6.329 6.563 2.354 277 HG23 VAL 33 2HG2 VAL 33 7.743 6.028 1.446 278 H THR 34 H THR 34 5.717 4.131 6.121 279 HA THR 34 HA THR 34 7.935 2.597 7.265 280 HB THR 34 HB THR 34 7.506 4.220 9.017 281 HG1 THR 34 HG1 THR 34 6.525 2.564 10.610 282 HG21 THR 34 3HG2 THR 34 4.627 3.285 8.933 283 HG22 THR 34 1HG2 THR 34 5.219 4.868 8.422 284 HG23 THR 34 2HG2 THR 34 5.316 4.395 10.119 285 H TYR 35 H TYR 35 7.316 0.495 8.064 286 HA TYR 35 HA TYR 35 4.601 -0.423 7.677 287 HB2 TYR 35 2HB TYR 35 5.101 -2.087 5.968 288 HB3 TYR 35 3HB TYR 35 5.498 -0.480 5.373 289 HD1 TYR 35 HD2 TYR 35 7.847 0.181 5.029 290 HD2 TYR 35 HD1 TYR 35 6.834 -3.745 6.342 291 HE1 TYR 35 HE2 TYR 35 10.108 -0.596 4.450 292 HE2 TYR 35 HE1 TYR 35 9.089 -4.524 5.767 293 HH TYR 35 HH TYR 35 11.647 -2.406 5.064 294 H THR 36 H THR 36 4.282 -2.678 8.299 295 HA THR 36 HA THR 36 6.514 -3.955 9.731 296 HB THR 36 HB THR 36 5.247 -2.877 11.500 297 HG1 THR 36 HG1 THR 36 4.233 -5.307 12.076 298 HG21 THR 36 3HG2 THR 36 3.096 -2.635 10.325 299 HG22 THR 36 1HG2 THR 36 2.890 -3.379 11.912 300 HG23 THR 36 2HG2 THR 36 2.834 -4.375 10.459 301 H LEU 37 H LEU 37 6.500 -6.212 9.684 302 HA LEU 37 HA LEU 37 4.433 -7.424 7.944 303 HB2 LEU 37 2HB LEU 37 6.540 -7.149 6.738 304 HB3 LEU 37 3HB LEU 37 7.400 -7.999 8.008 305 HG LEU 37 HG LEU 37 6.130 -10.068 7.452 306 HD11 LEU 37 1HD1 LEU 37 5.044 -8.422 5.169 307 HD12 LEU 37 2HD1 LEU 37 4.122 -9.092 6.516 308 HD13 LEU 37 3HD1 LEU 37 4.877 -10.169 5.342 309 HD21 LEU 37 3HD2 LEU 37 7.596 -8.841 5.114 310 HD22 LEU 37 1HD2 LEU 37 7.314 -10.562 5.379 311 HD23 LEU 37 2HD2 LEU 37 8.346 -9.657 6.486 312 H ASP 38 H ASP 38 3.369 -9.098 8.788 313 HA ASP 38 HA ASP 38 4.748 -10.815 10.751 314 HB2 ASP 38 2HB ASP 38 3.092 -9.501 11.969 315 HB3 ASP 38 3HB ASP 38 1.837 -9.978 10.830 316 H GLY 39 H GLY 39 5.341 -12.137 8.980 317 HA2 GLY 39 2HA GLY 39 5.151 -14.075 7.785 318 HA3 GLY 39 3HA GLY 39 3.658 -14.368 8.653 319 H ASN 40 H ASN 40 1.704 -13.973 7.649 320 HA ASN 40 HA ASN 40 1.932 -13.887 4.728 321 HB2 ASN 40 2HB ASN 40 -0.448 -14.701 6.410 322 HB3 ASN 40 3HB ASN 40 -0.215 -15.003 4.690 323 HD21 ASN 40 1HD2 ASN 40 -0.680 -16.897 6.842 324 HD22 ASN 40 2HD2 ASN 40 0.659 -17.985 6.831 325 H ASP 41 H ASP 41 1.594 -11.495 6.788 326 HA ASP 41 HA ASP 41 -0.213 -9.984 5.052 327 HB2 ASP 41 2HB ASP 41 -1.651 -10.846 6.856 328 HB3 ASP 41 3HB ASP 41 -0.585 -10.127 8.057 329 H LEU 42 H LEU 42 0.425 -7.914 4.729 330 HA LEU 42 HA LEU 42 2.665 -6.868 6.354 331 HB2 LEU 42 2HB LEU 42 3.492 -7.606 4.199 332 HB3 LEU 42 3HB LEU 42 2.244 -6.702 3.364 333 HG LEU 42 HG LEU 42 3.269 -4.585 4.166 334 HD11 LEU 42 1HD1 LEU 42 4.333 -5.392 6.193 335 HD12 LEU 42 2HD1 LEU 42 5.520 -4.629 5.134 336 HD13 LEU 42 3HD1 LEU 42 5.435 -6.388 5.241 337 HD21 LEU 42 3HD2 LEU 42 5.153 -6.405 2.666 338 HD22 LEU 42 1HD2 LEU 42 5.223 -4.642 2.698 339 HD23 LEU 42 2HD2 LEU 42 3.842 -5.455 1.963 340 H GLU 43 H GLU 43 2.080 -5.096 7.436 341 HA GLU 43 HA GLU 43 -0.027 -3.337 6.408 342 HB2 GLU 43 2HB GLU 43 -0.189 -4.012 8.748 343 HB3 GLU 43 3HB GLU 43 1.422 -3.381 9.068 344 HG2 GLU 43 2HG GLU 43 0.628 -1.115 8.562 345 HG3 GLU 43 3HG GLU 43 -0.989 -1.755 8.264 346 H ILE 44 H ILE 44 0.503 -1.624 5.215 347 HA ILE 44 HA ILE 44 3.124 -0.299 5.610 348 HB ILE 44 HB ILE 44 1.500 -0.356 3.047 349 HG12 ILE 44 2HG1 ILE 44 4.015 -1.933 3.687 350 HG13 ILE 44 3HG1 ILE 44 2.392 -2.614 3.677 351 HG21 ILE 44 1HG2 ILE 44 2.925 1.607 3.264 352 HG22 ILE 44 2HG2 ILE 44 3.559 0.527 2.022 353 HG23 ILE 44 3HG2 ILE 44 4.319 0.583 3.613 354 HD11 ILE 44 3HD1 ILE 44 2.185 -2.101 1.306 355 HD12 ILE 44 1HD1 ILE 44 3.586 -3.121 1.626 356 HD13 ILE 44 2HD1 ILE 44 3.804 -1.399 1.312 357 H ARG 45 H ARG 45 3.005 1.798 6.294 358 HA ARG 45 HA ARG 45 0.556 3.322 5.659 359 HB2 ARG 45 2HB ARG 45 0.692 2.692 8.087 360 HB3 ARG 45 3HB ARG 45 2.165 3.648 8.201 361 HG2 ARG 45 2HG ARG 45 0.872 5.642 7.472 362 HG3 ARG 45 3HG ARG 45 -0.590 4.656 7.499 363 HD2 ARG 45 2HD ARG 45 -0.573 5.811 9.551 364 HD3 ARG 45 3HD ARG 45 -0.051 4.173 9.934 365 HE ARG 45 HE ARG 45 1.782 6.473 9.678 366 HH11 ARG 45 1HH1 ARG 45 0.846 3.515 11.167 367 HH12 ARG 45 2HH1 ARG 45 2.136 3.553 12.316 368 HH21 ARG 45 1HH2 ARG 45 3.444 6.512 11.149 369 HH22 ARG 45 2HH2 ARG 45 3.601 5.226 12.293 370 H ILE 46 H ILE 46 0.947 5.001 4.391 371 HA ILE 46 HA ILE 46 3.616 6.238 4.397 372 HB ILE 46 HB ILE 46 1.352 6.546 2.407 373 HG12 ILE 46 2HG1 ILE 46 4.012 5.093 2.183 374 HG13 ILE 46 3HG1 ILE 46 2.440 4.321 2.375 375 HG21 ILE 46 1HG2 ILE 46 4.169 7.650 2.346 376 HG22 ILE 46 2HG2 ILE 46 2.683 8.586 2.525 377 HG23 ILE 46 3HG2 ILE 46 3.014 7.734 1.016 378 HD11 ILE 46 3HD1 ILE 46 3.177 4.221 0.075 379 HD12 ILE 46 1HD1 ILE 46 3.325 5.976 0.021 380 HD13 ILE 46 2HD1 ILE 46 1.737 5.231 0.211 381 H THR 47 H THR 47 3.923 8.048 5.480 382 HA THR 47 HA THR 47 1.654 9.541 6.555 383 HB THR 47 HB THR 47 4.611 9.818 7.175 384 HG1 THR 47 HG1 THR 47 2.519 8.451 8.559 385 HG21 THR 47 3HG2 THR 47 3.862 11.043 9.171 386 HG22 THR 47 1HG2 THR 47 2.189 10.913 8.622 387 HG23 THR 47 2HG2 THR 47 3.353 11.858 7.693 388 H GLY 48 H GLY 48 0.891 11.179 5.352 389 HA2 GLY 48 2HA GLY 48 1.116 13.472 4.729 390 HA3 GLY 48 3HA GLY 48 2.809 13.184 4.376 391 H VAL 49 H VAL 49 -0.436 12.187 3.257 392 HA VAL 49 HA VAL 49 0.566 12.431 0.488 393 HB VAL 49 HB VAL 49 -1.096 10.614 -0.132 394 HG11 VAL 49 1HG1 VAL 49 1.213 9.848 1.664 395 HG12 VAL 49 2HG1 VAL 49 1.301 10.178 -0.067 396 HG13 VAL 49 3HG1 VAL 49 0.405 8.776 0.519 397 HG21 VAL 49 3HG2 VAL 49 -1.787 9.059 1.629 398 HG22 VAL 49 1HG2 VAL 49 -2.441 10.671 1.918 399 HG23 VAL 49 2HG2 VAL 49 -1.054 10.102 2.850 400 HA PRO 50 HA PRO 50 -2.760 15.360 0.216 401 HB2 PRO 50 2HB PRO 50 -2.501 16.045 -2.369 402 HB3 PRO 50 3HB PRO 50 -1.279 16.471 -1.164 403 HG2 PRO 50 2HG PRO 50 -1.279 14.209 -3.136 404 HG3 PRO 50 3HG PRO 50 0.035 15.325 -2.719 405 HD2 PRO 50 2HD PRO 50 -0.183 12.801 -1.687 406 HD3 PRO 50 3HD PRO 50 0.601 14.142 -0.828 407 H GLU 51 H GLU 51 -4.828 15.692 -0.670 408 HA GLU 51 HA GLU 51 -6.297 13.328 -1.171 409 HB2 GLU 51 2HB GLU 51 -8.231 14.849 -1.468 410 HB3 GLU 51 3HB GLU 51 -7.313 15.180 -0.005 411 HG2 GLU 51 2HG GLU 51 -6.218 17.067 -1.120 412 HG3 GLU 51 3HG GLU 51 -7.136 16.730 -2.586 413 H GLN 52 H GLN 52 -5.258 15.946 -3.359 414 HA GLN 52 HA GLN 52 -6.746 15.189 -5.604 415 HB2 GLN 52 2HB GLN 52 -5.166 16.502 -6.927 416 HB3 GLN 52 3HB GLN 52 -5.598 17.345 -5.446 417 HG2 GLN 52 2HG GLN 52 -3.487 16.782 -4.440 418 HG3 GLN 52 3HG GLN 52 -3.062 15.758 -5.811 419 HE21 GLN 52 1HE2 GLN 52 -1.185 16.931 -6.234 420 HE22 GLN 52 2HE2 GLN 52 -1.228 18.506 -6.937 421 H VAL 53 H VAL 53 -3.837 13.784 -4.296 422 HA VAL 53 HA VAL 53 -3.398 12.190 -6.726 423 HB VAL 53 HB VAL 53 -1.682 12.319 -4.233 424 HG11 VAL 53 1HG1 VAL 53 -1.103 11.208 -6.987 425 HG12 VAL 53 2HG1 VAL 53 -1.327 10.273 -5.507 426 HG13 VAL 53 3HG1 VAL 53 0.065 11.343 -5.671 427 HG21 VAL 53 3HG2 VAL 53 -1.344 13.779 -6.861 428 HG22 VAL 53 1HG2 VAL 53 -0.204 13.798 -5.515 429 HG23 VAL 53 2HG2 VAL 53 -1.807 14.509 -5.324 430 H ARG 54 H ARG 54 -5.140 11.936 -3.890 431 HA ARG 54 HA ARG 54 -4.740 9.355 -2.932 432 HB2 ARG 54 2HB ARG 54 -6.255 10.928 -1.837 433 HB3 ARG 54 3HB ARG 54 -7.341 10.881 -3.217 434 HG2 ARG 54 2HG ARG 54 -8.252 9.543 -1.434 435 HG3 ARG 54 3HG ARG 54 -7.774 8.489 -2.764 436 HD2 ARG 54 2HD ARG 54 -7.093 7.485 -0.677 437 HD3 ARG 54 3HD ARG 54 -5.659 8.001 -1.565 438 HE ARG 54 HE ARG 54 -6.731 9.813 0.454 439 HH11 ARG 54 1HH1 ARG 54 -4.303 7.545 -0.456 440 HH12 ARG 54 2HH1 ARG 54 -3.245 7.995 0.829 441 HH21 ARG 54 1HH2 ARG 54 -5.374 10.375 2.106 442 HH22 ARG 54 2HH2 ARG 54 -3.848 9.583 2.272 443 H LYS 55 H LYS 55 -6.681 10.427 -5.694 444 HA LYS 55 HA LYS 55 -7.939 8.102 -6.480 445 HB2 LYS 55 2HB LYS 55 -6.609 10.112 -8.317 446 HB3 LYS 55 3HB LYS 55 -7.904 9.005 -8.757 447 HG2 LYS 55 2HG LYS 55 -9.468 10.173 -7.365 448 HG3 LYS 55 3HG LYS 55 -8.182 11.169 -6.673 449 HD2 LYS 55 2HD LYS 55 -7.759 12.147 -8.891 450 HD3 LYS 55 3HD LYS 55 -9.058 11.163 -9.569 451 HE2 LYS 55 2HE LYS 55 -9.416 13.214 -7.381 452 HE3 LYS 55 3HE LYS 55 -9.725 13.509 -9.091 453 HZ1 LYS 55 3HZ LYS 55 -11.362 11.660 -8.994 454 HZ2 LYS 55 1HZ LYS 55 -11.774 12.993 -8.037 455 HZ3 LYS 55 2HZ LYS 55 -11.148 11.600 -7.317 456 H GLU 56 H GLU 56 -4.674 9.175 -7.378 457 HA GLU 56 HA GLU 56 -4.054 6.974 -9.046 458 HB2 GLU 56 2HB GLU 56 -2.107 8.775 -7.591 459 HB3 GLU 56 3HB GLU 56 -1.805 7.856 -9.059 460 HG2 GLU 56 2HG GLU 56 -3.740 10.157 -8.805 461 HG3 GLU 56 3HG GLU 56 -2.120 10.251 -9.492 462 H LEU 57 H LEU 57 -2.967 7.772 -5.745 463 HA LEU 57 HA LEU 57 -1.405 5.506 -5.283 464 HB2 LEU 57 2HB LEU 57 -2.987 7.132 -3.282 465 HB3 LEU 57 3HB LEU 57 -1.692 6.018 -2.882 466 HG LEU 57 HG LEU 57 -1.385 8.548 -4.515 467 HD11 LEU 57 1HD1 LEU 57 -0.163 9.398 -2.572 468 HD12 LEU 57 2HD1 LEU 57 -0.548 7.924 -1.683 469 HD13 LEU 57 3HD1 LEU 57 -1.839 9.021 -2.171 470 HD21 LEU 57 3HD2 LEU 57 1.023 8.123 -4.349 471 HD22 LEU 57 1HD2 LEU 57 0.201 6.813 -5.197 472 HD23 LEU 57 2HD2 LEU 57 0.703 6.599 -3.519 473 H ALA 58 H ALA 58 -4.851 6.022 -4.522 474 HA ALA 58 HA ALA 58 -5.256 3.505 -3.280 475 HB1 ALA 58 3HB ALA 58 -6.750 5.427 -2.946 476 HB2 ALA 58 1HB ALA 58 -7.634 3.991 -3.466 477 HB3 ALA 58 2HB ALA 58 -7.298 5.288 -4.615 478 H LYS 59 H LYS 59 -5.431 4.565 -6.628 479 HA LYS 59 HA LYS 59 -6.721 2.188 -7.601 480 HB2 LYS 59 2HB LYS 59 -6.821 4.460 -8.703 481 HB3 LYS 59 3HB LYS 59 -5.151 4.223 -9.197 482 HG2 LYS 59 2HG LYS 59 -5.825 2.218 -10.460 483 HG3 LYS 59 3HG LYS 59 -7.500 2.508 -9.996 484 HD2 LYS 59 2HD LYS 59 -5.746 4.285 -11.695 485 HD3 LYS 59 3HD LYS 59 -7.147 3.352 -12.226 486 HE2 LYS 59 2HE LYS 59 -7.152 5.700 -10.323 487 HE3 LYS 59 3HE LYS 59 -7.747 5.688 -11.981 488 HZ1 LYS 59 3HZ LYS 59 -9.528 5.510 -10.330 489 HZ2 LYS 59 1HZ LYS 59 -8.870 4.057 -9.769 490 HZ3 LYS 59 2HZ LYS 59 -9.476 4.158 -11.343 491 H GLU 60 H GLU 60 -3.378 3.320 -7.352 492 HA GLU 60 HA GLU 60 -2.173 1.307 -8.917 493 HB2 GLU 60 2HB GLU 60 -1.034 3.390 -8.222 494 HB3 GLU 60 3HB GLU 60 -1.002 2.813 -6.563 495 HG2 GLU 60 2HG GLU 60 1.157 2.519 -7.640 496 HG3 GLU 60 3HG GLU 60 0.447 0.963 -7.215 497 H ALA 61 H ALA 61 -2.771 1.470 -5.408 498 HA ALA 61 HA ALA 61 -1.633 -0.996 -4.718 499 HB1 ALA 61 3HB ALA 61 -2.230 0.713 -3.080 500 HB2 ALA 61 1HB ALA 61 -2.950 -0.844 -2.671 501 HB3 ALA 61 2HB ALA 61 -3.943 0.424 -3.391 502 H GLU 62 H GLU 62 -4.908 -0.232 -5.889 503 HA GLU 62 HA GLU 62 -6.101 -2.744 -5.707 504 HB2 GLU 62 2HB GLU 62 -6.352 -0.673 -7.906 505 HB3 GLU 62 3HB GLU 62 -7.401 -2.075 -7.757 506 HG2 GLU 62 2HG GLU 62 -7.115 0.051 -5.643 507 HG3 GLU 62 3HG GLU 62 -8.355 0.063 -6.895 508 H ARG 63 H ARG 63 -4.100 -1.422 -8.346 509 HA ARG 63 HA ARG 63 -3.990 -3.672 -9.998 510 HB2 ARG 63 2HB ARG 63 -3.085 -1.371 -10.514 511 HB3 ARG 63 3HB ARG 63 -1.703 -1.748 -9.495 512 HG2 ARG 63 2HG ARG 63 -1.527 -3.846 -11.093 513 HG3 ARG 63 3HG ARG 63 -2.432 -2.803 -12.188 514 HD2 ARG 63 2HD ARG 63 0.305 -2.386 -11.017 515 HD3 ARG 63 3HD ARG 63 -0.170 -2.430 -12.713 516 HE ARG 63 HE ARG 63 -0.258 -0.179 -10.928 517 HH11 ARG 63 1HH1 ARG 63 -1.566 -1.511 -13.826 518 HH12 ARG 63 2HH1 ARG 63 -1.967 0.038 -14.480 519 HH21 ARG 63 1HH2 ARG 63 -0.749 1.786 -11.773 520 HH22 ARG 63 2HH2 ARG 63 -1.520 1.888 -13.324 521 H LEU 64 H LEU 64 -1.728 -2.686 -7.438 522 HA LEU 64 HA LEU 64 0.113 -4.721 -7.536 523 HB2 LEU 64 2HB LEU 64 -0.979 -3.372 -5.058 524 HB3 LEU 64 3HB LEU 64 0.522 -4.278 -5.134 525 HG LEU 64 HG LEU 64 -0.047 -1.745 -6.687 526 HD11 LEU 64 1HD1 LEU 64 1.645 -2.168 -4.224 527 HD12 LEU 64 2HD1 LEU 64 0.127 -1.274 -4.313 528 HD13 LEU 64 3HD1 LEU 64 1.550 -0.680 -5.166 529 HD21 LEU 64 3HD2 LEU 64 2.350 -1.798 -7.206 530 HD22 LEU 64 1HD2 LEU 64 1.511 -3.211 -7.844 531 HD23 LEU 64 2HD2 LEU 64 2.489 -3.353 -6.384 532 H ALA 65 H ALA 65 -2.931 -4.741 -5.687 533 HA ALA 65 HA ALA 65 -2.604 -7.330 -4.591 534 HB1 ALA 65 3HB ALA 65 -4.165 -5.644 -3.695 535 HB2 ALA 65 1HB ALA 65 -4.949 -7.196 -3.999 536 HB3 ALA 65 2HB ALA 65 -5.186 -5.853 -5.119 537 H LYS 66 H LYS 66 -4.210 -6.202 -7.560 538 HA LYS 66 HA LYS 66 -5.371 -8.742 -8.171 539 HB2 LYS 66 2HB LYS 66 -4.955 -6.329 -9.945 540 HB3 LYS 66 3HB LYS 66 -5.972 -7.712 -10.332 541 HG2 LYS 66 2HG LYS 66 -6.376 -5.778 -8.050 542 HG3 LYS 66 3HG LYS 66 -7.325 -5.862 -9.537 543 HD2 LYS 66 2HD LYS 66 -8.180 -8.030 -8.940 544 HD3 LYS 66 3HD LYS 66 -7.091 -8.133 -7.556 545 HE2 LYS 66 2HE LYS 66 -9.361 -7.568 -6.852 546 HE3 LYS 66 3HE LYS 66 -8.238 -6.257 -6.498 547 HZ1 LYS 66 3HZ LYS 66 -10.073 -6.358 -8.831 548 HZ2 LYS 66 1HZ LYS 66 -9.028 -5.086 -8.445 549 HZ3 LYS 66 2HZ LYS 66 -10.325 -5.455 -7.425 550 H GLU 67 H GLU 67 -2.378 -7.142 -9.171 551 HA GLU 67 HA GLU 67 -1.613 -8.749 -11.305 552 HB2 GLU 67 2HB GLU 67 0.136 -7.512 -9.163 553 HB3 GLU 67 3HB GLU 67 0.739 -8.188 -10.670 554 HG2 GLU 67 2HG GLU 67 -1.204 -5.888 -10.499 555 HG3 GLU 67 3HG GLU 67 0.541 -5.706 -10.650 556 H PHE 68 H PHE 68 -1.192 -9.331 -7.833 557 HA PHE 68 HA PHE 68 -0.171 -12.038 -8.403 558 HB2 PHE 68 2HB PHE 68 -0.198 -10.481 -5.803 559 HB3 PHE 68 3HB PHE 68 0.533 -12.066 -6.042 560 HD1 PHE 68 HD1 PHE 68 2.549 -12.300 -7.458 561 HD2 PHE 68 HD2 PHE 68 0.906 -8.483 -6.505 562 HE1 PHE 68 HE1 PHE 68 4.653 -11.223 -8.139 563 HE2 PHE 68 HE2 PHE 68 3.010 -7.405 -7.188 564 HZ PHE 68 HZ PHE 68 4.884 -8.776 -8.006 565 H ASN 69 H ASN 69 -3.059 -10.639 -7.991 566 HA ASN 69 HA ASN 69 -5.129 -11.224 -7.272 567 HB2 ASN 69 2HB ASN 69 -3.987 -14.005 -7.625 568 HB3 ASN 69 3HB ASN 69 -5.701 -13.629 -7.472 569 HD21 ASN 69 1HD2 ASN 69 -6.731 -12.509 -9.149 570 HD22 ASN 69 2HD2 ASN 69 -6.054 -12.423 -10.735 571 H ILE 70 H ILE 70 -3.449 -10.518 -5.216 572 HA ILE 70 HA ILE 70 -4.119 -12.340 -3.003 573 HB ILE 70 HB ILE 70 -2.506 -11.063 -1.661 574 HG12 ILE 70 2HG1 ILE 70 -1.966 -9.514 -4.215 575 HG13 ILE 70 3HG1 ILE 70 -2.759 -8.873 -2.782 576 HG21 ILE 70 1HG2 ILE 70 -0.461 -11.800 -2.797 577 HG22 ILE 70 2HG2 ILE 70 -1.370 -12.015 -4.293 578 HG23 ILE 70 3HG2 ILE 70 -1.733 -13.019 -2.891 579 HD11 ILE 70 3HD1 ILE 70 -0.709 -9.183 -1.500 580 HD12 ILE 70 1HD1 ILE 70 -0.446 -8.157 -2.909 581 HD13 ILE 70 2HD1 ILE 70 0.090 -9.836 -2.931 582 H THR 71 H THR 71 -4.633 -11.142 -0.882 583 HA THR 71 HA THR 71 -6.913 -9.394 -1.403 584 HB THR 71 HB THR 71 -5.952 -10.589 1.213 585 HG1 THR 71 HG1 THR 71 -6.748 -12.348 0.344 586 HG21 THR 71 3HG2 THR 71 -7.357 -8.625 1.585 587 HG22 THR 71 1HG2 THR 71 -8.236 -10.095 2.013 588 HG23 THR 71 2HG2 THR 71 -8.580 -9.273 0.491 589 H VAL 72 H VAL 72 -7.217 -7.317 -0.451 590 HA VAL 72 HA VAL 72 -4.990 -6.124 1.019 591 HB VAL 72 HB VAL 72 -4.436 -5.713 -1.354 592 HG11 VAL 72 1HG1 VAL 72 -7.040 -4.180 -1.429 593 HG12 VAL 72 2HG1 VAL 72 -6.673 -5.665 -2.307 594 HG13 VAL 72 3HG1 VAL 72 -5.814 -4.176 -2.698 595 HG21 VAL 72 3HG2 VAL 72 -3.719 -4.119 0.361 596 HG22 VAL 72 1HG2 VAL 72 -5.220 -3.214 0.157 597 HG23 VAL 72 2HG2 VAL 72 -4.056 -3.302 -1.164 598 H THR 73 H THR 73 -5.627 -4.641 2.492 599 HA THR 73 HA THR 73 -8.413 -3.632 2.364 600 HB THR 73 HB THR 73 -8.405 -3.501 4.820 601 HG1 THR 73 HG1 THR 73 -6.420 -4.978 5.586 602 HG21 THR 73 3HG2 THR 73 -9.250 -5.558 3.799 603 HG22 THR 73 1HG2 THR 73 -8.444 -5.908 5.330 604 HG23 THR 73 2HG2 THR 73 -7.626 -6.244 3.805 605 H TYR 74 H TYR 74 -8.799 -1.456 2.928 606 HA TYR 74 HA TYR 74 -6.383 0.251 3.069 607 HB2 TYR 74 2HB TYR 74 -8.965 0.847 1.599 608 HB3 TYR 74 3HB TYR 74 -7.580 1.927 1.720 609 HD1 TYR 74 HD1 TYR 74 -8.790 -1.247 0.279 610 HD2 TYR 74 HD2 TYR 74 -5.664 1.643 0.319 611 HE1 TYR 74 HE1 TYR 74 -7.835 -2.265 -1.738 612 HE2 TYR 74 HE2 TYR 74 -4.702 0.631 -1.700 613 HH TYR 74 HH TYR 74 -6.389 -1.662 -3.587 614 H THR 75 H THR 75 -6.326 1.819 4.564 615 HA THR 75 HA THR 75 -8.833 2.756 5.796 616 HB THR 75 HB THR 75 -6.322 2.031 7.343 617 HG1 THR 75 HG1 THR 75 -7.688 0.248 6.872 618 HG21 THR 75 3HG2 THR 75 -7.537 2.755 9.341 619 HG22 THR 75 1HG2 THR 75 -8.901 3.258 8.341 620 HG23 THR 75 2HG2 THR 75 -7.353 4.096 8.209 621 H ILE 76 H ILE 76 -8.910 4.801 5.029 622 HA ILE 76 HA ILE 76 -6.427 6.381 4.892 623 HB ILE 76 HB ILE 76 -9.142 7.019 3.709 624 HG12 ILE 76 2HG1 ILE 76 -8.199 5.004 2.676 625 HG13 ILE 76 3HG1 ILE 76 -8.165 6.350 1.545 626 HG21 ILE 76 1HG2 ILE 76 -7.912 8.678 2.371 627 HG22 ILE 76 2HG2 ILE 76 -6.434 8.278 3.248 628 HG23 ILE 76 3HG2 ILE 76 -7.796 9.007 4.100 629 HD11 ILE 76 3HD1 ILE 76 -6.131 5.029 1.430 630 HD12 ILE 76 1HD1 ILE 76 -5.824 5.332 3.140 631 HD13 ILE 76 2HD1 ILE 76 -5.791 6.667 1.987 632 H ARG 77 H ARG 77 -6.057 7.410 6.797 633 HA ARG 77 HA ARG 77 -8.250 8.321 8.446 634 HB2 ARG 77 2HB ARG 77 -6.534 9.005 10.047 635 HB3 ARG 77 3HB ARG 77 -6.263 7.357 9.500 636 HG2 ARG 77 2HG ARG 77 -4.514 8.177 7.964 637 HG3 ARG 77 3HG ARG 77 -4.762 9.810 8.584 638 HD2 ARG 77 2HD ARG 77 -2.913 9.015 9.781 639 HD3 ARG 77 3HD ARG 77 -4.267 8.814 10.893 640 HE ARG 77 HE ARG 77 -3.880 6.440 9.401 641 HH11 ARG 77 1HH1 ARG 77 -2.429 8.271 11.933 642 HH12 ARG 77 2HH1 ARG 77 -1.682 6.883 12.643 643 HH21 ARG 77 1HH2 ARG 77 -2.896 4.680 10.319 644 HH22 ARG 77 2HH2 ARG 77 -1.963 4.887 11.766 645 H LEU 78 H LEU 78 -9.337 10.012 7.621 646 HA LEU 78 HA LEU 78 -7.901 12.308 6.509 647 HB2 LEU 78 2HB LEU 78 -9.967 11.233 5.441 648 HB3 LEU 78 3HB LEU 78 -10.896 11.942 6.745 649 HG LEU 78 HG LEU 78 -9.228 13.602 4.843 650 HD11 LEU 78 1HD1 LEU 78 -11.294 14.064 3.615 651 HD12 LEU 78 2HD1 LEU 78 -12.159 12.904 4.624 652 HD13 LEU 78 3HD1 LEU 78 -10.876 12.353 3.547 653 HD21 LEU 78 3HD2 LEU 78 -9.824 14.724 6.932 654 HD22 LEU 78 1HD2 LEU 78 -11.521 14.318 6.684 655 HD23 LEU 78 2HD2 LEU 78 -10.708 15.427 5.578 656 H GLU 79 H GLU 79 -7.541 14.138 7.665 657 HA GLU 79 HA GLU 79 -8.064 14.189 10.445 658 HB2 GLU 79 2HB GLU 79 -6.112 15.293 9.401 659 HB3 GLU 79 3HB GLU 79 -7.189 16.482 8.676 660 HG2 GLU 79 2HG GLU 79 -7.867 17.221 10.915 661 HG3 GLU 79 3HG GLU 79 -6.777 16.035 11.633 662 H HIS 80 H HIS 80 -10.119 14.293 11.127 663 HA HIS 80 HA HIS 80 -11.657 16.700 10.387 664 HB2 HIS 80 2HB HIS 80 -12.692 14.667 9.422 665 HB3 HIS 80 3HB HIS 80 -12.799 13.964 11.034 666 HD1 HIS 80 HD1 HIS 80 -14.937 14.375 12.228 667 HD2 HIS 80 HD2 HIS 80 -14.294 17.158 9.215 668 HE1 HIS 80 HE1 HIS 80 -17.011 15.774 12.157 669 HE2 HIS 80 HE2 HIS 80 -16.531 17.553 10.449 670 H HIS 81 H HIS 81 -11.592 18.033 12.083 671 HA HIS 81 HA HIS 81 -12.225 16.995 14.748 672 HB2 HIS 81 2HB HIS 81 -10.413 18.407 15.756 673 HB3 HIS 81 3HB HIS 81 -9.836 17.037 14.818 674 HD1 HIS 81 HD1 HIS 81 -9.091 20.439 15.367 675 HD2 HIS 81 HD2 HIS 81 -9.199 18.024 11.992 676 HE1 HIS 81 HE1 HIS 81 -7.647 21.594 13.673 677 HE2 HIS 81 HE2 HIS 81 -7.541 19.991 11.735 678 H HIS 82 H HIS 82 -13.341 18.380 16.074 679 HA HIS 82 HA HIS 82 -14.895 20.339 14.725 680 HB2 HIS 82 2HB HIS 82 -15.722 18.866 16.570 681 HB3 HIS 82 3HB HIS 82 -14.773 19.818 17.705 682 HD1 HIS 82 HD1 HIS 82 -18.042 19.627 16.171 683 HD2 HIS 82 HD2 HIS 82 -15.678 22.641 17.782 684 HE1 HIS 82 HE1 HIS 82 -19.598 21.543 16.606 685 HE2 HIS 82 HE2 HIS 82 -18.112 23.416 17.377 686 H HIS 83 H HIS 83 -12.443 20.632 17.310 687 HA HIS 83 HA HIS 83 -11.187 22.380 18.051 688 HB2 HIS 83 2HB HIS 83 -10.433 22.702 15.793 689 HB3 HIS 83 3HB HIS 83 -11.922 23.531 15.349 690 HD1 HIS 83 HD1 HIS 83 -12.174 26.005 16.105 691 HD2 HIS 83 HD2 HIS 83 -8.529 24.281 17.112 692 HE1 HIS 83 HE1 HIS 83 -10.693 27.912 16.790 693 HE2 HIS 83 HE2 HIS 83 -8.501 26.852 17.396 694 H HIS 84 H HIS 84 -12.112 23.246 19.814 695 HA HIS 84 HA HIS 84 -14.345 25.153 19.469 696 HB2 HIS 84 2HB HIS 84 -14.836 23.150 20.847 697 HB3 HIS 84 3HB HIS 84 -13.518 23.583 21.929 698 HD1 HIS 84 HD1 HIS 84 -13.923 25.519 23.581 699 HD2 HIS 84 HD2 HIS 84 -17.190 24.661 21.160 700 HE1 HIS 84 HE1 HIS 84 -15.862 26.711 24.623 701 HE2 HIS 84 HE2 HIS 84 -17.852 26.016 23.260 702 H HIS 85 H HIS 85 -14.334 27.117 20.708 703 HA HIS 85 HA HIS 85 -11.814 27.801 22.069 704 HB2 HIS 85 2HB HIS 85 -11.860 30.077 21.071 705 HB3 HIS 85 3HB HIS 85 -11.604 28.808 19.881 706 HD1 HIS 85 HD1 HIS 85 -13.586 31.747 20.497 707 HD2 HIS 85 HD2 HIS 85 -14.128 28.190 18.421 708 HE1 HIS 85 HE1 HIS 85 -15.493 32.174 18.920 709 HE2 HIS 85 HE2 HIS 85 -15.702 30.059 17.576 Start of MODEL 12 1 H1 MET 1 1H MET 1 -1.243 14.522 6.403 2 H2 MET 1 2H MET 1 -2.303 15.602 5.647 3 H3 MET 1 3H MET 1 -1.293 14.621 4.712 4 HA MET 1 HA MET 1 -3.512 13.706 6.447 5 HB2 MET 1 2HB MET 1 -4.143 14.836 4.284 6 HB3 MET 1 3HB MET 1 -3.259 13.584 3.429 7 HG2 MET 1 2HG MET 1 -4.771 11.896 4.185 8 HG3 MET 1 3HG MET 1 -5.569 13.027 5.277 9 HE1 MET 1 3HE MET 1 -4.997 12.025 1.490 10 HE2 MET 1 1HE MET 1 -4.357 13.665 1.582 11 HE3 MET 1 2HE MET 1 -5.833 13.344 0.670 12 H GLU 2 H GLU 2 -3.654 11.505 6.806 13 HA GLU 2 HA GLU 2 -1.294 9.933 5.948 14 HB2 GLU 2 2HB GLU 2 -1.343 10.650 8.334 15 HB3 GLU 2 3HB GLU 2 -2.832 9.740 8.544 16 HG2 GLU 2 2HG GLU 2 -1.659 7.669 8.049 17 HG3 GLU 2 3HG GLU 2 -0.162 8.567 7.778 18 H MET 3 H MET 3 -1.568 7.607 5.737 19 HA MET 3 HA MET 3 -4.284 6.547 5.639 20 HB2 MET 3 2HB MET 3 -4.014 5.728 3.308 21 HB3 MET 3 3HB MET 3 -4.092 7.478 3.429 22 HG2 MET 3 2HG MET 3 -1.597 7.525 3.295 23 HG3 MET 3 3HG MET 3 -1.642 5.793 2.968 24 HE1 MET 3 3HE MET 3 -3.636 5.695 -0.424 25 HE2 MET 3 1HE MET 3 -4.345 5.622 1.188 26 HE3 MET 3 2HE MET 3 -2.862 4.736 0.836 27 H ASP 4 H ASP 4 -4.410 4.344 5.936 28 HA ASP 4 HA ASP 4 -1.872 2.851 6.194 29 HB2 ASP 4 2HB ASP 4 -4.529 2.535 7.601 30 HB3 ASP 4 3HB ASP 4 -3.270 1.308 7.668 31 H ILE 5 H ILE 5 -1.516 1.442 4.565 32 HA ILE 5 HA ILE 5 -3.820 0.025 3.366 33 HB ILE 5 HB ILE 5 -1.116 0.569 2.105 34 HG12 ILE 5 2HG1 ILE 5 -3.846 1.742 1.484 35 HG13 ILE 5 3HG1 ILE 5 -2.501 2.599 2.230 36 HG21 ILE 5 1HG2 ILE 5 -2.051 -1.561 1.376 37 HG22 ILE 5 2HG2 ILE 5 -2.100 -0.386 0.061 38 HG23 ILE 5 3HG2 ILE 5 -3.571 -0.774 0.956 39 HD11 ILE 5 3HD1 ILE 5 -1.197 2.333 0.185 40 HD12 ILE 5 1HD1 ILE 5 -2.722 3.162 -0.119 41 HD13 ILE 5 2HD1 ILE 5 -2.540 1.467 -0.560 42 H ARG 6 H ARG 6 -3.960 -2.035 4.113 43 HA ARG 6 HA ARG 6 -1.454 -3.450 4.775 44 HB2 ARG 6 2HB ARG 6 -4.266 -3.887 5.809 45 HB3 ARG 6 3HB ARG 6 -2.936 -4.993 6.119 46 HG2 ARG 6 2HG ARG 6 -3.076 -3.669 8.041 47 HG3 ARG 6 3HG ARG 6 -1.718 -3.000 7.141 48 HD2 ARG 6 2HD ARG 6 -3.264 -1.269 6.228 49 HD3 ARG 6 3HD ARG 6 -4.524 -1.900 7.285 50 HE ARG 6 HE ARG 6 -2.061 -0.553 8.159 51 HH11 ARG 6 1HH1 ARG 6 -5.219 -1.753 8.876 52 HH12 ARG 6 2HH1 ARG 6 -5.342 -0.833 10.340 53 HH21 ARG 6 1HH2 ARG 6 -2.261 0.638 10.015 54 HH22 ARG 6 2HH2 ARG 6 -3.690 0.479 10.979 55 H PHE 7 H PHE 7 -0.798 -4.946 3.392 56 HA PHE 7 HA PHE 7 -2.693 -6.259 1.583 57 HB2 PHE 7 2HB PHE 7 0.332 -6.272 1.705 58 HB3 PHE 7 3HB PHE 7 -0.593 -7.256 0.579 59 HD1 PHE 7 HD2 PHE 7 0.343 -3.801 1.489 60 HD2 PHE 7 HD1 PHE 7 -1.579 -6.304 -1.380 61 HE1 PHE 7 HE2 PHE 7 0.312 -1.937 -0.119 62 HE2 PHE 7 HE1 PHE 7 -1.604 -4.442 -2.989 63 HZ PHE 7 HZ PHE 7 -0.663 -2.258 -2.362 64 H ARG 8 H ARG 8 -2.862 -8.530 1.428 65 HA ARG 8 HA ARG 8 -1.760 -10.156 3.606 66 HB2 ARG 8 2HB ARG 8 -3.895 -9.410 4.478 67 HB3 ARG 8 3HB ARG 8 -4.708 -9.839 2.982 68 HG2 ARG 8 2HG ARG 8 -5.255 -11.496 4.585 69 HG3 ARG 8 3HG ARG 8 -4.136 -12.229 3.440 70 HD2 ARG 8 2HD ARG 8 -2.291 -11.858 5.046 71 HD3 ARG 8 3HD ARG 8 -3.453 -11.192 6.196 72 HE ARG 8 HE ARG 8 -4.103 -13.832 5.246 73 HH11 ARG 8 1HH1 ARG 8 -2.415 -12.057 7.688 74 HH12 ARG 8 2HH1 ARG 8 -2.436 -13.386 8.787 75 HH21 ARG 8 1HH2 ARG 8 -4.124 -15.491 6.671 76 HH22 ARG 8 2HH2 ARG 8 -3.404 -15.299 8.233 77 H GLY 9 H GLY 9 -0.879 -11.947 2.702 78 HA2 GLY 9 2HA GLY 9 -2.271 -13.689 0.962 79 HA3 GLY 9 3HA GLY 9 -1.189 -12.689 0.006 80 H ASP 10 H ASP 10 -0.549 -15.156 -0.317 81 HA ASP 10 HA ASP 10 1.467 -15.881 1.717 82 HB2 ASP 10 2HB ASP 10 1.322 -18.184 0.777 83 HB3 ASP 10 3HB ASP 10 -0.194 -17.602 1.456 84 H ASP 11 H ASP 11 1.150 -14.811 -1.536 85 HA ASP 11 HA ASP 11 3.590 -15.933 -2.535 86 HB2 ASP 11 2HB ASP 11 1.645 -15.140 -3.947 87 HB3 ASP 11 3HB ASP 11 2.153 -13.490 -3.603 88 H LEU 12 H LEU 12 5.523 -15.402 -1.747 89 HA LEU 12 HA LEU 12 6.022 -13.200 -0.074 90 HB2 LEU 12 2HB LEU 12 7.294 -15.314 -0.018 91 HB3 LEU 12 3HB LEU 12 8.010 -14.914 -1.568 92 HG LEU 12 HG LEU 12 9.099 -12.936 -0.537 93 HD11 LEU 12 1HD1 LEU 12 9.142 -12.691 1.884 94 HD12 LEU 12 2HD1 LEU 12 8.016 -14.037 2.058 95 HD13 LEU 12 3HD1 LEU 12 7.495 -12.545 1.273 96 HD21 LEU 12 3HD2 LEU 12 10.317 -15.041 -0.725 97 HD22 LEU 12 1HD2 LEU 12 9.687 -15.560 0.841 98 HD23 LEU 12 2HD2 LEU 12 10.776 -14.176 0.741 99 H GLU 13 H GLU 13 6.751 -13.673 -3.526 100 HA GLU 13 HA GLU 13 8.273 -11.296 -3.838 101 HB2 GLU 13 2HB GLU 13 6.792 -13.032 -5.813 102 HB3 GLU 13 3HB GLU 13 7.691 -11.607 -6.312 103 HG2 GLU 13 2HG GLU 13 8.993 -13.636 -6.630 104 HG3 GLU 13 3HG GLU 13 9.750 -12.570 -5.448 105 H ALA 14 H ALA 14 4.829 -11.975 -4.092 106 HA ALA 14 HA ALA 14 3.906 -9.675 -5.333 107 HB1 ALA 14 3HB ALA 14 1.773 -10.092 -4.200 108 HB2 ALA 14 1HB ALA 14 2.576 -11.212 -3.099 109 HB3 ALA 14 2HB ALA 14 2.477 -11.586 -4.820 110 H PHE 15 H PHE 15 4.617 -10.169 -1.878 111 HA PHE 15 HA PHE 15 3.763 -7.704 -0.892 112 HB2 PHE 15 2HB PHE 15 6.081 -9.428 0.015 113 HB3 PHE 15 3HB PHE 15 5.464 -8.052 0.923 114 HD1 PHE 15 HD1 PHE 15 2.885 -8.123 1.433 115 HD2 PHE 15 HD2 PHE 15 5.263 -11.539 0.500 116 HE1 PHE 15 HE1 PHE 15 1.235 -9.574 2.534 117 HE2 PHE 15 HE2 PHE 15 3.610 -12.986 1.600 118 HZ PHE 15 HZ PHE 15 1.595 -12.007 2.620 119 H GLU 16 H GLU 16 7.040 -8.578 -2.051 120 HA GLU 16 HA GLU 16 8.126 -5.984 -1.751 121 HB2 GLU 16 2HB GLU 16 9.501 -8.044 -1.973 122 HB3 GLU 16 3HB GLU 16 9.026 -8.151 -3.664 123 HG2 GLU 16 2HG GLU 16 10.060 -5.926 -4.051 124 HG3 GLU 16 3HG GLU 16 10.626 -5.938 -2.382 125 H LYS 17 H LYS 17 6.718 -7.629 -4.584 126 HA LYS 17 HA LYS 17 7.215 -5.650 -6.493 127 HB2 LYS 17 2HB LYS 17 4.968 -7.662 -6.287 128 HB3 LYS 17 3HB LYS 17 5.218 -6.639 -7.694 129 HG2 LYS 17 2HG LYS 17 7.183 -8.656 -6.614 130 HG3 LYS 17 3HG LYS 17 6.141 -8.874 -8.022 131 HD2 LYS 17 2HD LYS 17 7.250 -6.936 -9.100 132 HD3 LYS 17 3HD LYS 17 8.334 -6.815 -7.713 133 HE2 LYS 17 2HE LYS 17 9.099 -9.138 -8.180 134 HE3 LYS 17 3HE LYS 17 8.097 -9.131 -9.633 135 HZ1 LYS 17 3HZ LYS 17 10.340 -7.269 -9.070 136 HZ2 LYS 17 1HZ LYS 17 9.388 -7.269 -10.467 137 HZ3 LYS 17 2HZ LYS 17 10.395 -8.584 -10.131 138 H ALA 18 H ALA 18 4.509 -5.976 -4.225 139 HA ALA 18 HA ALA 18 3.077 -3.695 -5.208 140 HB1 ALA 18 3HB ALA 18 1.709 -3.955 -3.190 141 HB2 ALA 18 1HB ALA 18 2.871 -5.114 -2.544 142 HB3 ALA 18 2HB ALA 18 1.954 -5.502 -3.999 143 H LEU 19 H LEU 19 5.057 -4.259 -2.312 144 HA LEU 19 HA LEU 19 4.903 -1.692 -1.213 145 HB2 LEU 19 2HB LEU 19 5.628 -3.616 0.059 146 HB3 LEU 19 3HB LEU 19 7.031 -3.817 -0.972 147 HG LEU 19 HG LEU 19 7.903 -1.632 -0.145 148 HD11 LEU 19 1HD1 LEU 19 5.604 -1.799 1.806 149 HD12 LEU 19 2HD1 LEU 19 5.777 -0.614 0.510 150 HD13 LEU 19 3HD1 LEU 19 6.924 -0.629 1.848 151 HD21 LEU 19 3HD2 LEU 19 8.602 -2.468 2.038 152 HD22 LEU 19 1HD2 LEU 19 8.654 -3.747 0.824 153 HD23 LEU 19 2HD2 LEU 19 7.330 -3.689 1.991 154 H LYS 20 H LYS 20 7.337 -3.058 -3.413 155 HA LYS 20 HA LYS 20 9.251 -1.032 -3.235 156 HB2 LYS 20 2HB LYS 20 9.377 -3.390 -4.319 157 HB3 LYS 20 3HB LYS 20 8.776 -2.598 -5.768 158 HG2 LYS 20 2HG LYS 20 11.165 -2.764 -5.897 159 HG3 LYS 20 3HG LYS 20 10.732 -1.066 -5.685 160 HD2 LYS 20 2HD LYS 20 11.306 -1.160 -3.337 161 HD3 LYS 20 3HD LYS 20 11.579 -2.900 -3.432 162 HE2 LYS 20 2HE LYS 20 13.179 -0.799 -4.901 163 HE3 LYS 20 3HE LYS 20 13.681 -1.603 -3.415 164 HZ1 LYS 20 3HZ LYS 20 13.607 -3.722 -4.610 165 HZ2 LYS 20 1HZ LYS 20 14.699 -2.641 -5.315 166 HZ3 LYS 20 2HZ LYS 20 13.196 -2.911 -6.035 167 H GLU 21 H GLU 21 6.470 -1.350 -5.424 168 HA GLU 21 HA GLU 21 7.106 0.976 -6.965 169 HB2 GLU 21 2HB GLU 21 4.448 -0.453 -6.708 170 HB3 GLU 21 3HB GLU 21 4.884 0.707 -7.957 171 HG2 GLU 21 2HG GLU 21 6.013 -2.049 -7.530 172 HG3 GLU 21 3HG GLU 21 5.044 -1.478 -8.888 173 H MET 22 H MET 22 4.935 0.342 -4.227 174 HA MET 22 HA MET 22 3.791 2.887 -3.984 175 HB2 MET 22 2HB MET 22 4.540 0.921 -1.799 176 HB3 MET 22 3HB MET 22 3.504 2.324 -1.569 177 HG2 MET 22 2HG MET 22 2.928 -0.008 -3.389 178 HG3 MET 22 3HG MET 22 2.209 0.270 -1.804 179 HE1 MET 22 3HE MET 22 0.495 2.222 -1.265 180 HE2 MET 22 1HE MET 22 0.067 3.486 -2.418 181 HE3 MET 22 2HE MET 22 1.709 3.395 -1.778 182 H ILE 23 H ILE 23 6.793 1.606 -2.561 183 HA ILE 23 HA ILE 23 7.658 4.007 -1.350 184 HB ILE 23 HB ILE 23 9.322 1.688 -2.371 185 HG12 ILE 23 2HG1 ILE 23 8.255 2.282 0.408 186 HG13 ILE 23 3HG1 ILE 23 7.646 1.036 -0.677 187 HG21 ILE 23 1HG2 ILE 23 10.703 3.666 -2.083 188 HG22 ILE 23 2HG2 ILE 23 11.057 2.494 -0.813 189 HG23 ILE 23 3HG2 ILE 23 10.060 3.906 -0.458 190 HD11 ILE 23 3HD1 ILE 23 9.784 -0.121 -0.563 191 HD12 ILE 23 1HD1 ILE 23 9.085 0.101 1.040 192 HD13 ILE 23 2HD1 ILE 23 10.413 1.131 0.509 193 H ARG 24 H ARG 24 8.189 2.654 -4.584 194 HA ARG 24 HA ARG 24 10.061 4.427 -5.603 195 HB2 ARG 24 2HB ARG 24 9.244 2.425 -6.802 196 HB3 ARG 24 3HB ARG 24 7.696 3.216 -7.061 197 HG2 ARG 24 2HG ARG 24 8.973 3.357 -9.082 198 HG3 ARG 24 3HG ARG 24 8.866 4.974 -8.377 199 HD2 ARG 24 2HD ARG 24 11.120 4.669 -7.411 200 HD3 ARG 24 3HD ARG 24 11.223 3.086 -8.183 201 HE ARG 24 HE ARG 24 10.970 5.610 -9.699 202 HH11 ARG 24 1HH1 ARG 24 12.329 2.461 -9.280 203 HH12 ARG 24 2HH1 ARG 24 13.329 2.596 -10.684 204 HH21 ARG 24 1HH2 ARG 24 12.286 5.764 -11.472 205 HH22 ARG 24 2HH2 ARG 24 13.320 4.439 -11.894 206 H GLN 25 H GLN 25 6.497 4.751 -5.690 207 HA GLN 25 HA GLN 25 6.492 7.367 -6.797 208 HB2 GLN 25 2HB GLN 25 4.378 5.975 -5.137 209 HB3 GLN 25 3HB GLN 25 4.134 7.468 -6.027 210 HG2 GLN 25 2HG GLN 25 4.780 4.777 -7.225 211 HG3 GLN 25 3HG GLN 25 3.201 5.557 -7.206 212 HE21 GLN 25 1HE2 GLN 25 4.660 4.685 -9.510 213 HE22 GLN 25 2HE2 GLN 25 4.957 6.085 -10.478 214 H ALA 26 H ALA 26 6.165 6.211 -3.441 215 HA ALA 26 HA ALA 26 5.745 8.657 -2.172 216 HB1 ALA 26 3HB ALA 26 7.182 6.249 -1.062 217 HB2 ALA 26 1HB ALA 26 5.433 6.477 -1.099 218 HB3 ALA 26 2HB ALA 26 6.441 7.548 -0.125 219 H ARG 27 H ARG 27 8.783 7.166 -3.163 220 HA ARG 27 HA ARG 27 10.569 8.803 -1.765 221 HB2 ARG 27 2HB ARG 27 10.812 7.277 -4.349 222 HB3 ARG 27 3HB ARG 27 12.149 8.247 -3.738 223 HG2 ARG 27 2HG ARG 27 12.175 6.946 -1.676 224 HG3 ARG 27 3HG ARG 27 10.805 5.996 -2.244 225 HD2 ARG 27 2HD ARG 27 12.120 5.036 -4.012 226 HD3 ARG 27 3HD ARG 27 13.466 6.125 -3.669 227 HE ARG 27 HE ARG 27 13.174 4.860 -1.331 228 HH11 ARG 27 1HH1 ARG 27 13.357 3.592 -4.528 229 HH12 ARG 27 2HH1 ARG 27 14.119 2.131 -4.009 230 HH21 ARG 27 1HH2 ARG 27 14.156 3.016 -0.691 231 HH22 ARG 27 2HH2 ARG 27 14.578 1.812 -1.861 232 H LYS 28 H LYS 28 8.696 9.473 -4.624 233 HA LYS 28 HA LYS 28 10.181 11.805 -5.417 234 HB2 LYS 28 2HB LYS 28 7.378 10.938 -6.166 235 HB3 LYS 28 3HB LYS 28 8.310 12.197 -6.968 236 HG2 LYS 28 2HG LYS 28 8.991 9.261 -6.862 237 HG3 LYS 28 3HG LYS 28 8.364 10.144 -8.256 238 HD2 LYS 28 2HD LYS 28 10.390 11.523 -8.302 239 HD3 LYS 28 3HD LYS 28 11.015 10.666 -6.891 240 HE2 LYS 28 2HE LYS 28 11.074 8.586 -8.174 241 HE3 LYS 28 3HE LYS 28 10.402 9.422 -9.577 242 HZ1 LYS 28 3HZ LYS 28 12.371 10.842 -9.605 243 HZ2 LYS 28 1HZ LYS 28 12.781 9.211 -9.777 244 HZ3 LYS 28 2HZ LYS 28 13.021 9.993 -8.297 245 H PHE 29 H PHE 29 7.830 11.191 -3.004 246 HA PHE 29 HA PHE 29 7.108 14.050 -2.822 247 HB2 PHE 29 2HB PHE 29 5.695 11.664 -1.597 248 HB3 PHE 29 3HB PHE 29 5.155 13.339 -1.531 249 HD1 PHE 29 HD1 PHE 29 4.653 14.510 -3.761 250 HD2 PHE 29 HD2 PHE 29 5.030 10.283 -3.364 251 HE1 PHE 29 HE1 PHE 29 3.420 14.205 -5.871 252 HE2 PHE 29 HE2 PHE 29 3.796 9.975 -5.471 253 HZ PHE 29 HZ PHE 29 2.990 11.932 -6.725 254 H ALA 30 H ALA 30 7.379 15.186 -0.905 255 HA ALA 30 HA ALA 30 9.341 14.145 0.939 256 HB1 ALA 30 3HB ALA 30 9.286 16.360 1.953 257 HB2 ALA 30 1HB ALA 30 7.869 16.782 0.992 258 HB3 ALA 30 2HB ALA 30 9.415 16.483 0.198 259 H GLY 31 H GLY 31 8.304 12.435 2.012 260 HA2 GLY 31 2HA GLY 31 6.690 13.272 4.289 261 HA3 GLY 31 3HA GLY 31 5.899 12.160 3.182 262 H THR 32 H THR 32 5.752 10.620 4.910 263 HA THR 32 HA THR 32 8.246 9.093 5.282 264 HB THR 32 HB THR 32 6.324 9.727 7.541 265 HG1 THR 32 HG1 THR 32 8.887 10.727 6.833 266 HG21 THR 32 3HG2 THR 32 7.966 8.578 8.970 267 HG22 THR 32 1HG2 THR 32 8.918 8.163 7.541 268 HG23 THR 32 2HG2 THR 32 7.302 7.486 7.756 269 H VAL 33 H VAL 33 7.989 6.943 4.957 270 HA VAL 33 HA VAL 33 5.251 5.819 5.060 271 HB VAL 33 HB VAL 33 7.431 5.097 3.079 272 HG11 VAL 33 1HG1 VAL 33 6.104 3.137 3.709 273 HG12 VAL 33 2HG1 VAL 33 5.754 3.628 2.052 274 HG13 VAL 33 3HG1 VAL 33 4.618 4.016 3.345 275 HG21 VAL 33 3HG2 VAL 33 5.875 5.995 1.390 276 HG22 VAL 33 1HG2 VAL 33 6.396 7.229 2.538 277 HG23 VAL 33 2HG2 VAL 33 4.790 6.513 2.682 278 H THR 34 H THR 34 5.075 4.327 6.605 279 HA THR 34 HA THR 34 7.468 2.790 7.424 280 HB THR 34 HB THR 34 6.415 2.420 9.557 281 HG1 THR 34 HG1 THR 34 4.200 2.292 8.592 282 HG21 THR 34 3HG2 THR 34 7.491 4.611 9.274 283 HG22 THR 34 1HG2 THR 34 6.118 4.715 10.378 284 HG23 THR 34 2HG2 THR 34 5.961 5.292 8.716 285 H TYR 35 H TYR 35 7.524 0.595 7.049 286 HA TYR 35 HA TYR 35 4.953 -0.755 6.534 287 HB2 TYR 35 2HB TYR 35 5.940 -2.023 4.666 288 HB3 TYR 35 3HB TYR 35 5.897 -0.294 4.351 289 HD1 TYR 35 HD1 TYR 35 8.098 -3.168 5.080 290 HD2 TYR 35 HD2 TYR 35 7.941 0.969 4.071 291 HE1 TYR 35 HE1 TYR 35 10.481 -3.226 4.481 292 HE2 TYR 35 HE2 TYR 35 10.329 0.917 3.474 293 HH TYR 35 HH TYR 35 12.351 -0.461 4.014 294 H THR 36 H THR 36 4.745 -2.852 7.199 295 HA THR 36 HA THR 36 7.068 -4.143 8.491 296 HB THR 36 HB THR 36 5.664 -4.906 10.351 297 HG1 THR 36 HG1 THR 36 3.551 -4.559 10.411 298 HG21 THR 36 3HG2 THR 36 6.887 -2.819 10.667 299 HG22 THR 36 1HG2 THR 36 5.339 -2.757 11.509 300 HG23 THR 36 2HG2 THR 36 5.544 -1.908 9.977 301 H LEU 37 H LEU 37 7.247 -6.307 8.176 302 HA LEU 37 HA LEU 37 5.099 -7.694 6.688 303 HB2 LEU 37 2HB LEU 37 8.094 -8.031 6.638 304 HB3 LEU 37 3HB LEU 37 7.035 -9.320 6.110 305 HG LEU 37 HG LEU 37 7.834 -8.123 4.195 306 HD11 LEU 37 1HD1 LEU 37 4.946 -7.460 4.731 307 HD12 LEU 37 2HD1 LEU 37 5.573 -8.967 4.066 308 HD13 LEU 37 3HD1 LEU 37 5.727 -7.470 3.149 309 HD21 LEU 37 3HD2 LEU 37 6.656 -5.619 5.405 310 HD22 LEU 37 1HD2 LEU 37 7.423 -5.759 3.822 311 HD23 LEU 37 2HD2 LEU 37 8.376 -5.992 5.286 312 H ASP 38 H ASP 38 4.176 -9.467 7.588 313 HA ASP 38 HA ASP 38 5.698 -11.062 9.490 314 HB2 ASP 38 2HB ASP 38 4.382 -9.281 10.778 315 HB3 ASP 38 3HB ASP 38 2.933 -10.152 10.284 316 H GLY 39 H GLY 39 5.665 -12.799 8.107 317 HA2 GLY 39 2HA GLY 39 4.857 -14.755 7.216 318 HA3 GLY 39 3HA GLY 39 3.438 -14.531 8.222 319 H ASN 40 H ASN 40 1.685 -13.205 7.366 320 HA ASN 40 HA ASN 40 1.635 -13.151 4.409 321 HB2 ASN 40 2HB ASN 40 -0.636 -13.884 6.276 322 HB3 ASN 40 3HB ASN 40 -0.765 -13.746 4.525 323 HD21 ASN 40 1HD2 ASN 40 1.889 -14.935 4.100 324 HD22 ASN 40 2HD2 ASN 40 1.701 -16.622 4.414 325 H ASP 41 H ASP 41 1.553 -11.233 7.103 326 HA ASP 41 HA ASP 41 -0.392 -9.320 6.006 327 HB2 ASP 41 2HB ASP 41 0.932 -9.419 8.731 328 HB3 ASP 41 3HB ASP 41 -0.288 -8.250 8.229 329 H LEU 42 H LEU 42 0.198 -7.401 5.195 330 HA LEU 42 HA LEU 42 2.922 -6.374 5.698 331 HB2 LEU 42 2HB LEU 42 2.992 -7.177 3.460 332 HB3 LEU 42 3HB LEU 42 1.411 -6.515 3.090 333 HG LEU 42 HG LEU 42 2.319 -4.240 3.146 334 HD11 LEU 42 1HD1 LEU 42 4.711 -3.825 3.351 335 HD12 LEU 42 2HD1 LEU 42 4.991 -5.534 3.682 336 HD13 LEU 42 3HD1 LEU 42 4.068 -4.555 4.823 337 HD21 LEU 42 3HD2 LEU 42 3.720 -4.367 1.147 338 HD22 LEU 42 1HD2 LEU 42 2.340 -5.458 1.030 339 HD23 LEU 42 2HD2 LEU 42 3.941 -6.099 1.402 340 H GLU 43 H GLU 43 2.433 -4.788 7.152 341 HA GLU 43 HA GLU 43 0.146 -3.029 6.665 342 HB2 GLU 43 2HB GLU 43 2.071 -3.176 8.995 343 HB3 GLU 43 3HB GLU 43 0.694 -2.087 8.899 344 HG2 GLU 43 2HG GLU 43 -0.815 -4.027 8.781 345 HG3 GLU 43 3HG GLU 43 0.576 -5.099 8.925 346 H ILE 44 H ILE 44 0.589 -1.547 5.129 347 HA ILE 44 HA ILE 44 3.057 0.047 5.339 348 HB ILE 44 HB ILE 44 0.978 0.016 3.132 349 HG12 ILE 44 2HG1 ILE 44 3.748 -1.219 3.200 350 HG13 ILE 44 3HG1 ILE 44 2.233 -2.111 3.291 351 HG21 ILE 44 1HG2 ILE 44 2.634 1.291 1.833 352 HG22 ILE 44 2HG2 ILE 44 3.693 1.344 3.243 353 HG23 ILE 44 3HG2 ILE 44 2.130 2.160 3.283 354 HD11 ILE 44 3HD1 ILE 44 1.659 -1.337 1.037 355 HD12 ILE 44 1HD1 ILE 44 3.177 -2.232 1.071 356 HD13 ILE 44 2HD1 ILE 44 3.196 -0.473 0.953 357 H ARG 45 H ARG 45 2.980 2.077 6.146 358 HA ARG 45 HA ARG 45 0.372 3.452 6.310 359 HB2 ARG 45 2HB ARG 45 1.163 2.538 8.511 360 HB3 ARG 45 3HB ARG 45 2.569 3.587 8.388 361 HG2 ARG 45 2HG ARG 45 1.184 5.551 8.489 362 HG3 ARG 45 3HG ARG 45 -0.281 4.567 8.420 363 HD2 ARG 45 2HD ARG 45 0.496 3.470 10.561 364 HD3 ARG 45 3HD ARG 45 1.748 4.711 10.650 365 HE ARG 45 HE ARG 45 -0.494 6.168 10.396 366 HH11 ARG 45 1HH1 ARG 45 0.330 3.580 12.494 367 HH12 ARG 45 2HH1 ARG 45 -0.707 4.125 13.761 368 HH21 ARG 45 1HH2 ARG 45 -1.823 6.867 12.002 369 HH22 ARG 45 2HH2 ARG 45 -1.910 5.982 13.490 370 H ILE 46 H ILE 46 0.428 5.169 5.007 371 HA ILE 46 HA ILE 46 3.013 6.499 4.504 372 HB ILE 46 HB ILE 46 0.474 6.648 2.857 373 HG12 ILE 46 2HG1 ILE 46 3.018 5.058 2.371 374 HG13 ILE 46 3HG1 ILE 46 1.462 4.381 2.836 375 HG21 ILE 46 1HG2 ILE 46 1.938 7.651 1.145 376 HG22 ILE 46 2HG2 ILE 46 3.276 7.629 2.293 377 HG23 ILE 46 3HG2 ILE 46 1.859 8.628 2.610 378 HD11 ILE 46 3HD1 ILE 46 0.497 5.135 0.734 379 HD12 ILE 46 1HD1 ILE 46 1.895 4.094 0.465 380 HD13 ILE 46 2HD1 ILE 46 2.047 5.840 0.270 381 H THR 47 H THR 47 3.330 8.291 5.608 382 HA THR 47 HA THR 47 1.061 9.969 6.450 383 HB THR 47 HB THR 47 3.916 10.016 7.470 384 HG1 THR 47 HG1 THR 47 1.868 9.058 9.091 385 HG21 THR 47 3HG2 THR 47 2.740 12.125 7.835 386 HG22 THR 47 1HG2 THR 47 2.942 11.271 9.363 387 HG23 THR 47 2HG2 THR 47 1.377 11.262 8.549 388 H GLY 48 H GLY 48 0.681 11.663 5.079 389 HA2 GLY 48 2HA GLY 48 1.765 13.969 4.869 390 HA3 GLY 48 3HA GLY 48 3.033 13.115 4.011 391 H VAL 49 H VAL 49 1.389 11.394 2.443 392 HA VAL 49 HA VAL 49 1.231 12.908 0.152 393 HB VAL 49 HB VAL 49 -0.156 11.063 -0.834 394 HG11 VAL 49 1HG1 VAL 49 2.302 10.259 0.737 395 HG12 VAL 49 2HG1 VAL 49 2.282 10.994 -0.867 396 HG13 VAL 49 3HG1 VAL 49 1.624 9.374 -0.631 397 HG21 VAL 49 3HG2 VAL 49 -0.563 9.064 0.526 398 HG22 VAL 49 1HG2 VAL 49 -1.423 10.461 1.178 399 HG23 VAL 49 2HG2 VAL 49 0.060 9.900 1.950 400 HA PRO 50 HA PRO 50 -2.591 15.177 0.588 401 HB2 PRO 50 2HB PRO 50 -2.335 16.706 -1.589 402 HB3 PRO 50 3HB PRO 50 -1.225 16.875 -0.220 403 HG2 PRO 50 2HG PRO 50 -0.824 15.479 -2.840 404 HG3 PRO 50 3HG PRO 50 0.308 16.493 -1.926 405 HD2 PRO 50 2HD PRO 50 0.286 13.716 -1.900 406 HD3 PRO 50 3HD PRO 50 1.020 14.739 -0.651 407 H GLU 51 H GLU 51 -4.199 16.092 -1.295 408 HA GLU 51 HA GLU 51 -6.023 14.121 -1.808 409 HB2 GLU 51 2HB GLU 51 -6.563 16.486 -1.874 410 HB3 GLU 51 3HB GLU 51 -5.597 16.700 -3.324 411 HG2 GLU 51 2HG GLU 51 -7.883 16.678 -3.972 412 HG3 GLU 51 3HG GLU 51 -7.163 15.166 -4.515 413 H GLN 52 H GLN 52 -4.267 15.642 -4.552 414 HA GLN 52 HA GLN 52 -5.136 13.900 -6.500 415 HB2 GLN 52 2HB GLN 52 -3.208 14.617 -7.860 416 HB3 GLN 52 3HB GLN 52 -4.005 15.964 -7.062 417 HG2 GLN 52 2HG GLN 52 -2.255 16.163 -5.460 418 HG3 GLN 52 3HG GLN 52 -1.520 14.649 -5.982 419 HE21 GLN 52 1HE2 GLN 52 -0.394 17.353 -5.840 420 HE22 GLN 52 2HE2 GLN 52 0.169 17.704 -7.432 421 H VAL 53 H VAL 53 -2.437 13.410 -4.302 422 HA VAL 53 HA VAL 53 -1.434 11.086 -5.698 423 HB VAL 53 HB VAL 53 -0.772 12.007 -2.891 424 HG11 VAL 53 1HG1 VAL 53 1.322 10.780 -3.224 425 HG12 VAL 53 2HG1 VAL 53 0.773 10.264 -4.819 426 HG13 VAL 53 3HG1 VAL 53 -0.075 9.715 -3.373 427 HG21 VAL 53 3HG2 VAL 53 0.532 12.769 -5.510 428 HG22 VAL 53 1HG2 VAL 53 1.169 13.150 -3.911 429 HG23 VAL 53 2HG2 VAL 53 -0.370 13.836 -4.432 430 H ARG 54 H ARG 54 -3.502 11.734 -2.939 431 HA ARG 54 HA ARG 54 -3.545 9.288 -1.641 432 HB2 ARG 54 2HB ARG 54 -4.588 11.387 -0.828 433 HB3 ARG 54 3HB ARG 54 -5.855 11.203 -2.030 434 HG2 ARG 54 2HG ARG 54 -6.613 10.501 0.169 435 HG3 ARG 54 3HG ARG 54 -6.598 9.143 -0.958 436 HD2 ARG 54 2HD ARG 54 -5.704 8.622 1.323 437 HD3 ARG 54 3HD ARG 54 -4.593 8.270 -0.003 438 HE ARG 54 HE ARG 54 -3.478 10.409 0.568 439 HH11 ARG 54 1HH1 ARG 54 -5.465 8.927 2.932 440 HH12 ARG 54 2HH1 ARG 54 -4.555 9.542 4.263 441 HH21 ARG 54 1HH2 ARG 54 -2.315 11.238 2.253 442 HH22 ARG 54 2HH2 ARG 54 -2.749 10.823 3.871 443 H LYS 55 H LYS 55 -5.780 10.407 -4.190 444 HA LYS 55 HA LYS 55 -7.285 8.043 -4.379 445 HB2 LYS 55 2HB LYS 55 -8.047 8.934 -6.560 446 HB3 LYS 55 3HB LYS 55 -8.108 10.132 -5.274 447 HG2 LYS 55 2HG LYS 55 -5.968 11.075 -6.100 448 HG3 LYS 55 3HG LYS 55 -6.014 9.923 -7.439 449 HD2 LYS 55 2HD LYS 55 -8.175 10.893 -8.157 450 HD3 LYS 55 3HD LYS 55 -8.058 12.074 -6.851 451 HE2 LYS 55 2HE LYS 55 -7.328 13.080 -8.926 452 HE3 LYS 55 3HE LYS 55 -5.953 12.908 -7.839 453 HZ1 LYS 55 3HZ LYS 55 -6.611 11.176 -10.159 454 HZ2 LYS 55 1HZ LYS 55 -5.369 10.855 -9.058 455 HZ3 LYS 55 2HZ LYS 55 -5.305 12.240 -10.021 456 H GLU 56 H GLU 56 -4.273 8.972 -5.955 457 HA GLU 56 HA GLU 56 -4.275 6.853 -7.873 458 HB2 GLU 56 2HB GLU 56 -1.964 8.508 -6.833 459 HB3 GLU 56 3HB GLU 56 -1.913 7.463 -8.246 460 HG2 GLU 56 2HG GLU 56 -3.558 9.960 -7.896 461 HG3 GLU 56 3HG GLU 56 -2.167 9.740 -8.957 462 H LEU 57 H LEU 57 -2.750 7.260 -4.687 463 HA LEU 57 HA LEU 57 -1.343 4.804 -4.671 464 HB2 LEU 57 2HB LEU 57 -2.417 6.421 -2.352 465 HB3 LEU 57 3HB LEU 57 -1.270 5.102 -2.206 466 HG LEU 57 HG LEU 57 -0.788 7.738 -3.612 467 HD11 LEU 57 1HD1 LEU 57 0.828 8.134 -1.834 468 HD12 LEU 57 2HD1 LEU 57 0.389 6.603 -1.078 469 HD13 LEU 57 3HD1 LEU 57 -0.792 7.908 -1.176 470 HD21 LEU 57 3HD2 LEU 57 1.510 6.959 -3.924 471 HD22 LEU 57 1HD2 LEU 57 0.364 5.909 -4.758 472 HD23 LEU 57 2HD2 LEU 57 1.081 5.393 -3.232 473 H ALA 58 H ALA 58 -4.559 5.668 -3.394 474 HA ALA 58 HA ALA 58 -5.270 3.139 -2.394 475 HB1 ALA 58 3HB ALA 58 -6.519 5.183 -1.887 476 HB2 ALA 58 1HB ALA 58 -7.582 3.923 -2.514 477 HB3 ALA 58 2HB ALA 58 -7.084 5.257 -3.556 478 H LYS 59 H LYS 59 -5.741 4.555 -5.617 479 HA LYS 59 HA LYS 59 -7.082 2.379 -6.806 480 HB2 LYS 59 2HB LYS 59 -7.020 4.612 -7.809 481 HB3 LYS 59 3HB LYS 59 -5.286 4.469 -8.062 482 HG2 LYS 59 2HG LYS 59 -5.728 2.540 -9.576 483 HG3 LYS 59 3HG LYS 59 -7.454 2.854 -9.396 484 HD2 LYS 59 2HD LYS 59 -6.671 3.874 -11.443 485 HD3 LYS 59 3HD LYS 59 -7.093 5.141 -10.290 486 HE2 LYS 59 2HE LYS 59 -5.018 5.696 -11.420 487 HE3 LYS 59 3HE LYS 59 -4.709 5.386 -9.711 488 HZ1 LYS 59 3HZ LYS 59 -3.046 4.345 -11.104 489 HZ2 LYS 59 1HZ LYS 59 -4.231 3.472 -11.938 490 HZ3 LYS 59 2HZ LYS 59 -3.944 3.163 -10.302 491 H GLU 60 H GLU 60 -3.645 3.041 -6.342 492 HA GLU 60 HA GLU 60 -2.683 1.051 -8.122 493 HB2 GLU 60 2HB GLU 60 -1.435 3.066 -7.031 494 HB3 GLU 60 3HB GLU 60 -1.136 1.954 -5.702 495 HG2 GLU 60 2HG GLU 60 0.750 1.979 -7.209 496 HG3 GLU 60 3HG GLU 60 -0.039 0.401 -7.265 497 H ALA 61 H ALA 61 -3.336 1.041 -4.643 498 HA ALA 61 HA ALA 61 -2.370 -1.444 -3.917 499 HB1 ALA 61 3HB ALA 61 -3.257 0.221 -2.344 500 HB2 ALA 61 1HB ALA 61 -3.952 -1.375 -2.072 501 HB3 ALA 61 2HB ALA 61 -4.894 -0.134 -2.897 502 H GLU 62 H GLU 62 -5.509 -0.690 -5.416 503 HA GLU 62 HA GLU 62 -6.624 -3.269 -5.291 504 HB2 GLU 62 2HB GLU 62 -7.079 -1.000 -7.232 505 HB3 GLU 62 3HB GLU 62 -8.029 -2.481 -7.245 506 HG2 GLU 62 2HG GLU 62 -7.803 -0.595 -4.899 507 HG3 GLU 62 3HG GLU 62 -9.133 -0.621 -6.057 508 H ARG 63 H ARG 63 -4.852 -1.711 -7.989 509 HA ARG 63 HA ARG 63 -4.757 -3.878 -9.742 510 HB2 ARG 63 2HB ARG 63 -4.010 -1.731 -10.500 511 HB3 ARG 63 3HB ARG 63 -2.777 -1.647 -9.247 512 HG2 ARG 63 2HG ARG 63 -1.592 -3.533 -10.320 513 HG3 ARG 63 3HG ARG 63 -2.800 -3.535 -11.606 514 HD2 ARG 63 2HD ARG 63 -1.047 -1.180 -10.901 515 HD3 ARG 63 3HD ARG 63 -0.698 -2.332 -12.188 516 HE ARG 63 HE ARG 63 -3.077 -1.536 -12.956 517 HH11 ARG 63 1HH1 ARG 63 -0.592 0.433 -11.581 518 HH12 ARG 63 2HH1 ARG 63 -0.975 1.792 -12.579 519 HH21 ARG 63 1HH2 ARG 63 -3.575 0.224 -14.202 520 HH22 ARG 63 2HH2 ARG 63 -2.673 1.687 -14.016 521 H LEU 64 H LEU 64 -2.386 -2.960 -7.251 522 HA LEU 64 HA LEU 64 -0.542 -5.016 -7.587 523 HB2 LEU 64 2HB LEU 64 -1.361 -3.604 -5.040 524 HB3 LEU 64 3HB LEU 64 0.112 -4.539 -5.244 525 HG LEU 64 HG LEU 64 -0.563 -2.032 -6.798 526 HD11 LEU 64 1HD1 LEU 64 1.354 -2.374 -4.491 527 HD12 LEU 64 2HD1 LEU 64 -0.208 -1.559 -4.415 528 HD13 LEU 64 3HD1 LEU 64 1.078 -0.900 -5.423 529 HD21 LEU 64 3HD2 LEU 64 1.973 -3.663 -6.636 530 HD22 LEU 64 1HD2 LEU 64 1.800 -2.119 -7.475 531 HD23 LEU 64 2HD2 LEU 64 0.899 -3.529 -8.027 532 H ALA 65 H ALA 65 -3.490 -4.939 -5.620 533 HA ALA 65 HA ALA 65 -3.136 -7.425 -4.338 534 HB1 ALA 65 3HB ALA 65 -4.704 -5.712 -3.565 535 HB2 ALA 65 1HB ALA 65 -5.504 -7.269 -3.784 536 HB3 ALA 65 2HB ALA 65 -5.713 -5.992 -4.983 537 H LYS 66 H LYS 66 -4.955 -6.584 -7.286 538 HA LYS 66 HA LYS 66 -6.181 -9.104 -7.578 539 HB2 LYS 66 2HB LYS 66 -5.666 -7.006 -9.689 540 HB3 LYS 66 3HB LYS 66 -6.797 -8.343 -9.832 541 HG2 LYS 66 2HG LYS 66 -6.977 -6.053 -7.872 542 HG3 LYS 66 3HG LYS 66 -7.952 -6.268 -9.321 543 HD2 LYS 66 2HD LYS 66 -9.413 -7.077 -7.750 544 HD3 LYS 66 3HD LYS 66 -8.565 -8.569 -8.153 545 HE2 LYS 66 2HE LYS 66 -7.082 -8.215 -6.200 546 HE3 LYS 66 3HE LYS 66 -7.997 -6.765 -5.792 547 HZ1 LYS 66 3HZ LYS 66 -9.973 -8.155 -5.541 548 HZ2 LYS 66 1HZ LYS 66 -8.739 -8.634 -4.486 549 HZ3 LYS 66 2HZ LYS 66 -9.062 -9.535 -5.884 550 H GLU 67 H GLU 67 -3.466 -7.756 -9.530 551 HA GLU 67 HA GLU 67 -3.235 -10.249 -10.950 552 HB2 GLU 67 2HB GLU 67 -1.319 -9.178 -12.103 553 HB3 GLU 67 3HB GLU 67 -2.803 -8.240 -12.166 554 HG2 GLU 67 2HG GLU 67 -1.936 -6.805 -10.349 555 HG3 GLU 67 3HG GLU 67 -0.428 -7.720 -10.382 556 H PHE 68 H PHE 68 -1.847 -9.112 -8.027 557 HA PHE 68 HA PHE 68 0.307 -11.109 -8.193 558 HB2 PHE 68 2HB PHE 68 -0.180 -8.842 -6.259 559 HB3 PHE 68 3HB PHE 68 1.086 -10.045 -6.035 560 HD1 PHE 68 HD1 PHE 68 2.848 -10.292 -7.806 561 HD2 PHE 68 HD2 PHE 68 0.162 -6.990 -7.710 562 HE1 PHE 68 HE1 PHE 68 4.355 -9.030 -9.269 563 HE2 PHE 68 HE2 PHE 68 1.673 -5.717 -9.179 564 HZ PHE 68 HZ PHE 68 3.770 -6.738 -9.964 565 H ASN 69 H ASN 69 -2.797 -11.236 -7.446 566 HA ASN 69 HA ASN 69 -4.104 -12.772 -6.404 567 HB2 ASN 69 2HB ASN 69 -1.585 -14.345 -5.833 568 HB3 ASN 69 3HB ASN 69 -3.225 -14.961 -6.019 569 HD21 ASN 69 1HD2 ASN 69 -0.354 -14.012 -7.603 570 HD22 ASN 69 2HD2 ASN 69 -0.849 -14.391 -9.213 571 H ILE 70 H ILE 70 -3.155 -10.598 -4.787 572 HA ILE 70 HA ILE 70 -3.256 -11.887 -2.126 573 HB ILE 70 HB ILE 70 -1.933 -9.978 -1.214 574 HG12 ILE 70 2HG1 ILE 70 -1.474 -9.345 -4.146 575 HG13 ILE 70 3HG1 ILE 70 -2.329 -8.335 -2.987 576 HG21 ILE 70 1HG2 ILE 70 0.243 -10.801 -1.971 577 HG22 ILE 70 2HG2 ILE 70 -0.529 -11.607 -3.336 578 HG23 ILE 70 3HG2 ILE 70 -0.880 -12.132 -1.690 579 HD11 ILE 70 3HD1 ILE 70 -0.249 -8.016 -1.738 580 HD12 ILE 70 1HD1 ILE 70 -0.100 -7.488 -3.414 581 HD13 ILE 70 2HD1 ILE 70 0.603 -9.024 -2.908 582 H THR 71 H THR 71 -4.444 -10.828 -0.510 583 HA THR 71 HA THR 71 -6.611 -9.138 -1.477 584 HB THR 71 HB THR 71 -6.182 -10.067 1.377 585 HG1 THR 71 HG1 THR 71 -7.583 -11.447 -0.703 586 HG21 THR 71 3HG2 THR 71 -7.909 -8.348 1.041 587 HG22 THR 71 1HG2 THR 71 -8.628 -9.890 1.509 588 HG23 THR 71 2HG2 THR 71 -8.685 -9.366 -0.172 589 H VAL 72 H VAL 72 -6.906 -6.946 -0.925 590 HA VAL 72 HA VAL 72 -4.923 -5.811 0.949 591 HB VAL 72 HB VAL 72 -4.333 -5.180 -1.357 592 HG11 VAL 72 1HG1 VAL 72 -7.000 -3.756 -1.403 593 HG12 VAL 72 2HG1 VAL 72 -6.556 -5.163 -2.368 594 HG13 VAL 72 3HG1 VAL 72 -5.738 -3.624 -2.630 595 HG21 VAL 72 3HG2 VAL 72 -4.110 -2.771 -0.950 596 HG22 VAL 72 1HG2 VAL 72 -3.752 -3.707 0.502 597 HG23 VAL 72 2HG2 VAL 72 -5.301 -2.877 0.344 598 H THR 73 H THR 73 -5.789 -4.935 2.670 599 HA THR 73 HA THR 73 -8.409 -3.570 2.464 600 HB THR 73 HB THR 73 -8.817 -4.090 4.838 601 HG1 THR 73 HG1 THR 73 -6.405 -4.397 5.217 602 HG21 THR 73 3HG2 THR 73 -9.683 -5.639 3.142 603 HG22 THR 73 1HG2 THR 73 -9.251 -6.490 4.626 604 HG23 THR 73 2HG2 THR 73 -8.186 -6.568 3.223 605 H TYR 74 H TYR 74 -8.317 -1.429 2.835 606 HA TYR 74 HA TYR 74 -5.998 -0.378 4.321 607 HB2 TYR 74 2HB TYR 74 -6.394 1.689 2.706 608 HB3 TYR 74 3HB TYR 74 -5.395 0.322 2.234 609 HD1 TYR 74 HD1 TYR 74 -8.909 1.598 1.955 610 HD2 TYR 74 HD2 TYR 74 -5.815 -0.766 0.220 611 HE1 TYR 74 HE1 TYR 74 -10.275 1.293 -0.068 612 HE2 TYR 74 HE2 TYR 74 -7.178 -1.076 -1.801 613 HH TYR 74 HH TYR 74 -9.356 -0.937 -2.592 614 H THR 75 H THR 75 -6.253 1.317 5.680 615 HA THR 75 HA THR 75 -8.988 2.347 6.132 616 HB THR 75 HB THR 75 -6.859 1.738 8.211 617 HG1 THR 75 HG1 THR 75 -8.162 0.079 8.799 618 HG21 THR 75 3HG2 THR 75 -8.081 3.771 8.814 619 HG22 THR 75 1HG2 THR 75 -8.539 2.436 9.872 620 HG23 THR 75 2HG2 THR 75 -9.614 2.936 8.566 621 H ILE 76 H ILE 76 -9.129 4.491 5.787 622 HA ILE 76 HA ILE 76 -6.686 6.136 6.077 623 HB ILE 76 HB ILE 76 -8.958 6.561 4.115 624 HG12 ILE 76 2HG1 ILE 76 -6.099 5.643 3.670 625 HG13 ILE 76 3HG1 ILE 76 -7.548 4.663 3.473 626 HG21 ILE 76 1HG2 ILE 76 -8.019 8.685 4.845 627 HG22 ILE 76 2HG2 ILE 76 -7.537 8.354 3.182 628 HG23 ILE 76 3HG2 ILE 76 -6.389 8.110 4.497 629 HD11 ILE 76 3HD1 ILE 76 -6.671 5.382 1.333 630 HD12 ILE 76 1HD1 ILE 76 -6.802 7.070 1.826 631 HD13 ILE 76 2HD1 ILE 76 -8.259 6.094 1.624 632 H ARG 77 H ARG 77 -6.845 8.115 7.094 633 HA ARG 77 HA ARG 77 -9.495 8.892 8.136 634 HB2 ARG 77 2HB ARG 77 -6.820 8.910 9.526 635 HB3 ARG 77 3HB ARG 77 -8.145 9.930 10.072 636 HG2 ARG 77 2HG ARG 77 -8.177 6.919 9.887 637 HG3 ARG 77 3HG ARG 77 -8.058 7.882 11.363 638 HD2 ARG 77 2HD ARG 77 -10.264 8.840 10.932 639 HD3 ARG 77 3HD ARG 77 -10.382 7.923 9.431 640 HE ARG 77 HE ARG 77 -10.467 6.798 12.147 641 HH11 ARG 77 1HH1 ARG 77 -10.922 6.438 8.746 642 HH12 ARG 77 2HH1 ARG 77 -11.872 5.003 8.923 643 HH21 ARG 77 1HH2 ARG 77 -11.688 4.965 12.345 644 HH22 ARG 77 2HH2 ARG 77 -12.326 4.198 10.933 645 H LEU 78 H LEU 78 -10.131 10.611 7.017 646 HA LEU 78 HA LEU 78 -8.220 12.840 6.658 647 HB2 LEU 78 2HB LEU 78 -8.881 12.042 4.497 648 HB3 LEU 78 3HB LEU 78 -10.573 12.009 4.958 649 HG LEU 78 HG LEU 78 -10.636 14.455 5.038 650 HD11 LEU 78 1HD1 LEU 78 -8.733 15.800 4.283 651 HD12 LEU 78 2HD1 LEU 78 -7.743 14.344 4.193 652 HD13 LEU 78 3HD1 LEU 78 -8.354 14.898 5.750 653 HD21 LEU 78 3HD2 LEU 78 -11.152 13.364 2.922 654 HD22 LEU 78 1HD2 LEU 78 -9.447 13.403 2.467 655 HD23 LEU 78 2HD2 LEU 78 -10.349 14.908 2.648 656 H GLU 79 H GLU 79 -8.567 14.359 8.129 657 HA GLU 79 HA GLU 79 -10.998 14.710 9.553 658 HB2 GLU 79 2HB GLU 79 -8.817 15.309 10.498 659 HB3 GLU 79 3HB GLU 79 -8.607 16.545 9.267 660 HG2 GLU 79 2HG GLU 79 -10.522 17.776 10.175 661 HG3 GLU 79 3HG GLU 79 -10.722 16.541 11.418 662 H HIS 80 H HIS 80 -12.728 15.124 8.246 663 HA HIS 80 HA HIS 80 -12.625 17.596 6.626 664 HB2 HIS 80 2HB HIS 80 -14.371 16.573 5.176 665 HB3 HIS 80 3HB HIS 80 -12.844 15.703 5.147 666 HD1 HIS 80 HD1 HIS 80 -12.818 13.319 6.130 667 HD2 HIS 80 HD2 HIS 80 -16.539 15.157 6.294 668 HE1 HIS 80 HE1 HIS 80 -14.445 11.490 6.668 669 HE2 HIS 80 HE2 HIS 80 -16.653 12.655 6.937 670 H HIS 81 H HIS 81 -14.013 19.158 7.111 671 HA HIS 81 HA HIS 81 -15.717 18.870 9.417 672 HB2 HIS 81 2HB HIS 81 -14.346 20.892 9.005 673 HB3 HIS 81 3HB HIS 81 -15.304 21.237 7.570 674 HD1 HIS 81 HD1 HIS 81 -15.532 21.195 11.327 675 HD2 HIS 81 HD2 HIS 81 -17.714 22.507 8.042 676 HE1 HIS 81 HE1 HIS 81 -17.352 22.649 12.263 677 HE2 HIS 81 HE2 HIS 81 -18.612 23.490 10.254 678 H HIS 82 H HIS 82 -17.953 18.911 9.510 679 HA HIS 82 HA HIS 82 -19.459 18.090 7.264 680 HB2 HIS 82 2HB HIS 82 -20.371 19.258 9.906 681 HB3 HIS 82 3HB HIS 82 -21.458 18.565 8.705 682 HD1 HIS 82 HD1 HIS 82 -19.365 17.667 11.550 683 HD2 HIS 82 HD2 HIS 82 -20.981 15.714 8.265 684 HE1 HIS 82 HE1 HIS 82 -19.224 15.226 12.089 685 HE2 HIS 82 HE2 HIS 82 -20.404 14.082 10.186 686 H HIS 83 H HIS 83 -20.025 19.258 5.563 687 HA HIS 83 HA HIS 83 -19.386 22.019 5.408 688 HB2 HIS 83 2HB HIS 83 -20.964 20.368 3.427 689 HB3 HIS 83 3HB HIS 83 -20.119 21.877 3.100 690 HD1 HIS 83 HD1 HIS 83 -17.374 21.573 3.921 691 HD2 HIS 83 HD2 HIS 83 -19.495 18.281 2.535 692 HE1 HIS 83 HE1 HIS 83 -15.642 19.900 3.228 693 HE2 HIS 83 HE2 HIS 83 -16.946 18.028 2.184 694 H HIS 84 H HIS 84 -22.486 20.317 5.669 695 HA HIS 84 HA HIS 84 -23.808 22.943 5.986 696 HB2 HIS 84 2HB HIS 84 -24.983 20.452 4.728 697 HB3 HIS 84 3HB HIS 84 -25.847 21.962 5.000 698 HD1 HIS 84 HD1 HIS 84 -23.376 20.348 2.725 699 HD2 HIS 84 HD2 HIS 84 -25.146 24.071 3.250 700 HE1 HIS 84 HE1 HIS 84 -22.870 21.636 0.630 701 HE2 HIS 84 HE2 HIS 84 -23.995 23.861 0.945 702 H HIS 85 H HIS 85 -25.811 22.894 7.288 703 HA HIS 85 HA HIS 85 -25.462 21.386 9.713 704 HB2 HIS 85 2HB HIS 85 -27.639 23.288 8.820 705 HB3 HIS 85 3HB HIS 85 -27.590 22.542 10.413 706 HD1 HIS 85 HD1 HIS 85 -25.413 23.172 11.885 707 HD2 HIS 85 HD2 HIS 85 -26.193 25.597 8.603 708 HE1 HIS 85 HE1 HIS 85 -24.091 25.268 12.270 709 HE2 HIS 85 HE2 HIS 85 -24.708 26.778 10.361 Start of MODEL 13 1 H1 MET 1 1H MET 1 -2.365 14.269 6.666 2 H2 MET 1 2H MET 1 -3.412 15.183 5.701 3 H3 MET 1 3H MET 1 -2.018 14.508 5.027 4 HA MET 1 HA MET 1 -4.285 12.969 6.150 5 HB2 MET 1 2HB MET 1 -4.958 14.114 4.108 6 HB3 MET 1 3HB MET 1 -3.524 13.536 3.274 7 HG2 MET 1 2HG MET 1 -4.333 11.229 3.478 8 HG3 MET 1 3HG MET 1 -5.773 11.812 4.310 9 HE1 MET 1 3HE MET 1 -4.822 12.921 -0.073 10 HE2 MET 1 1HE MET 1 -3.751 11.920 0.911 11 HE3 MET 1 2HE MET 1 -3.992 13.620 1.317 12 H GLU 2 H GLU 2 -4.047 10.775 6.187 13 HA GLU 2 HA GLU 2 -1.461 9.641 5.293 14 HB2 GLU 2 2HB GLU 2 -2.950 8.915 7.833 15 HB3 GLU 2 3HB GLU 2 -1.398 8.273 7.309 16 HG2 GLU 2 2HG GLU 2 -0.308 10.341 7.679 17 HG3 GLU 2 3HG GLU 2 -1.838 11.197 7.858 18 H MET 3 H MET 3 -1.615 7.120 5.244 19 HA MET 3 HA MET 3 -4.314 6.188 4.565 20 HB2 MET 3 2HB MET 3 -3.337 7.031 2.465 21 HB3 MET 3 3HB MET 3 -1.974 5.937 2.663 22 HG2 MET 3 2HG MET 3 -3.469 4.019 2.469 23 HG3 MET 3 3HG MET 3 -4.851 5.104 2.307 24 HE1 MET 3 3HE MET 3 -5.585 3.892 0.080 25 HE2 MET 3 1HE MET 3 -4.212 2.787 0.195 26 HE3 MET 3 2HE MET 3 -4.524 3.651 -1.310 27 H ASP 4 H ASP 4 -4.705 4.283 5.432 28 HA ASP 4 HA ASP 4 -2.632 2.485 6.346 29 HB2 ASP 4 2HB ASP 4 -5.633 2.067 6.169 30 HB3 ASP 4 3HB ASP 4 -4.498 1.081 7.081 31 H ILE 5 H ILE 5 -1.781 0.805 5.163 32 HA ILE 5 HA ILE 5 -3.354 -0.306 2.930 33 HB ILE 5 HB ILE 5 -0.432 0.459 2.653 34 HG12 ILE 5 2HG1 ILE 5 -2.880 1.711 1.363 35 HG13 ILE 5 3HG1 ILE 5 -1.919 2.442 2.644 36 HG21 ILE 5 1HG2 ILE 5 -2.376 -0.674 0.637 37 HG22 ILE 5 2HG2 ILE 5 -1.040 -1.546 1.392 38 HG23 ILE 5 3HG2 ILE 5 -0.710 -0.194 0.309 39 HD11 ILE 5 3HD1 ILE 5 -1.363 3.403 0.506 40 HD12 ILE 5 1HD1 ILE 5 -0.984 1.808 -0.144 41 HD13 ILE 5 2HD1 ILE 5 0.014 2.497 1.135 42 H ARG 6 H ARG 6 -3.618 -2.400 3.525 43 HA ARG 6 HA ARG 6 -1.253 -3.847 4.561 44 HB2 ARG 6 2HB ARG 6 -4.167 -4.224 5.283 45 HB3 ARG 6 3HB ARG 6 -2.910 -5.376 5.709 46 HG2 ARG 6 2HG ARG 6 -3.178 -4.094 7.633 47 HG3 ARG 6 3HG ARG 6 -1.745 -3.412 6.867 48 HD2 ARG 6 2HD ARG 6 -3.324 -1.706 5.811 49 HD3 ARG 6 3HD ARG 6 -4.532 -2.286 6.957 50 HE ARG 6 HE ARG 6 -1.938 -1.261 7.891 51 HH11 ARG 6 1HH1 ARG 6 -5.389 -1.143 7.930 52 HH12 ARG 6 2HH1 ARG 6 -5.424 0.087 9.144 53 HH21 ARG 6 1HH2 ARG 6 -1.999 0.277 9.438 54 HH22 ARG 6 2HH2 ARG 6 -3.521 0.907 9.973 55 H PHE 7 H PHE 7 -0.530 -5.477 3.376 56 HA PHE 7 HA PHE 7 -2.283 -6.658 1.302 57 HB2 PHE 7 2HB PHE 7 0.742 -6.531 1.453 58 HB3 PHE 7 3HB PHE 7 -0.154 -7.387 0.208 59 HD1 PHE 7 HD1 PHE 7 -1.544 -6.104 -1.414 60 HD2 PHE 7 HD2 PHE 7 1.086 -4.187 1.336 61 HE1 PHE 7 HE1 PHE 7 -1.598 -4.064 -2.789 62 HE2 PHE 7 HE2 PHE 7 1.027 -2.146 -0.035 63 HZ PHE 7 HZ PHE 7 -0.316 -2.083 -2.097 64 H ARG 8 H ARG 8 -2.519 -8.887 1.153 65 HA ARG 8 HA ARG 8 -0.801 -10.608 2.791 66 HB2 ARG 8 2HB ARG 8 -2.856 -10.246 4.128 67 HB3 ARG 8 3HB ARG 8 -3.827 -10.841 2.785 68 HG2 ARG 8 2HG ARG 8 -2.769 -13.034 2.969 69 HG3 ARG 8 3HG ARG 8 -1.747 -12.444 4.280 70 HD2 ARG 8 2HD ARG 8 -3.608 -13.728 5.168 71 HD3 ARG 8 3HD ARG 8 -3.750 -12.038 5.646 72 HE ARG 8 HE ARG 8 -5.668 -11.863 4.391 73 HH11 ARG 8 1HH1 ARG 8 -4.099 -14.838 3.633 74 HH12 ARG 8 2HH1 ARG 8 -5.462 -15.472 2.783 75 HH21 ARG 8 1HH2 ARG 8 -7.421 -12.697 3.327 76 HH22 ARG 8 2HH2 ARG 8 -7.322 -14.261 2.600 77 H GLY 9 H GLY 9 0.028 -12.164 1.513 78 HA2 GLY 9 2HA GLY 9 -1.600 -13.285 -0.648 79 HA3 GLY 9 3HA GLY 9 -0.139 -12.433 -1.119 80 H ASP 10 H ASP 10 -0.666 -15.123 -1.706 81 HA ASP 10 HA ASP 10 0.921 -16.730 0.133 82 HB2 ASP 10 2HB ASP 10 0.283 -18.599 -1.414 83 HB3 ASP 10 3HB ASP 10 -1.087 -17.751 -0.704 84 H ASP 11 H ASP 11 1.515 -14.843 -2.620 85 HA ASP 11 HA ASP 11 3.573 -16.491 -3.797 86 HB2 ASP 11 2HB ASP 11 2.129 -14.926 -5.112 87 HB3 ASP 11 3HB ASP 11 2.942 -13.575 -4.328 88 H LEU 12 H LEU 12 5.813 -15.740 -4.083 89 HA LEU 12 HA LEU 12 6.945 -14.755 -1.596 90 HB2 LEU 12 2HB LEU 12 7.969 -16.679 -2.664 91 HB3 LEU 12 3HB LEU 12 8.223 -15.769 -4.142 92 HG LEU 12 HG LEU 12 9.821 -14.298 -2.936 93 HD11 LEU 12 1HD1 LEU 12 9.379 -16.219 -0.649 94 HD12 LEU 12 2HD1 LEU 12 8.982 -14.501 -0.677 95 HD13 LEU 12 3HD1 LEU 12 10.666 -15.017 -0.731 96 HD21 LEU 12 3HD2 LEU 12 10.641 -16.203 -4.217 97 HD22 LEU 12 1HD2 LEU 12 10.463 -17.248 -2.807 98 HD23 LEU 12 2HD2 LEU 12 11.638 -15.931 -2.789 99 H GLU 13 H GLU 13 7.286 -13.842 -5.049 100 HA GLU 13 HA GLU 13 8.837 -11.526 -4.483 101 HB2 GLU 13 2HB GLU 13 7.335 -12.344 -6.975 102 HB3 GLU 13 3HB GLU 13 8.350 -10.911 -6.881 103 HG2 GLU 13 2HG GLU 13 10.256 -12.431 -6.255 104 HG3 GLU 13 3HG GLU 13 9.198 -13.791 -6.644 105 H ALA 14 H ALA 14 5.397 -12.069 -4.757 106 HA ALA 14 HA ALA 14 4.447 -9.540 -5.377 107 HB1 ALA 14 3HB ALA 14 3.198 -11.513 -3.466 108 HB2 ALA 14 1HB ALA 14 3.030 -11.532 -5.221 109 HB3 ALA 14 2HB ALA 14 2.365 -10.190 -4.285 110 H PHE 15 H PHE 15 5.589 -10.742 -2.272 111 HA PHE 15 HA PHE 15 4.784 -8.635 -0.610 112 HB2 PHE 15 2HB PHE 15 5.673 -10.653 0.354 113 HB3 PHE 15 3HB PHE 15 7.199 -10.462 -0.501 114 HD1 PHE 15 HD2 PHE 15 5.065 -8.891 2.111 115 HD2 PHE 15 HD1 PHE 15 8.989 -9.343 0.511 116 HE1 PHE 15 HE2 PHE 15 5.992 -7.692 4.045 117 HE2 PHE 15 HE1 PHE 15 9.918 -8.141 2.448 118 HZ PHE 15 HZ PHE 15 8.419 -7.311 4.218 119 H GLU 16 H GLU 16 7.865 -9.065 -2.362 120 HA GLU 16 HA GLU 16 8.911 -6.537 -1.520 121 HB2 GLU 16 2HB GLU 16 10.322 -8.514 -2.031 122 HB3 GLU 16 3HB GLU 16 9.890 -8.360 -3.727 123 HG2 GLU 16 2HG GLU 16 10.998 -6.225 -3.870 124 HG3 GLU 16 3HG GLU 16 11.315 -6.232 -2.135 125 H LYS 17 H LYS 17 7.337 -7.698 -4.465 126 HA LYS 17 HA LYS 17 7.838 -5.508 -6.142 127 HB2 LYS 17 2HB LYS 17 5.390 -7.290 -6.071 128 HB3 LYS 17 3HB LYS 17 5.850 -6.245 -7.408 129 HG2 LYS 17 2HG LYS 17 7.480 -8.568 -6.389 130 HG3 LYS 17 3HG LYS 17 6.403 -8.616 -7.784 131 HD2 LYS 17 2HD LYS 17 7.771 -6.872 -8.876 132 HD3 LYS 17 3HD LYS 17 8.867 -6.881 -7.490 133 HE2 LYS 17 2HE LYS 17 9.470 -9.179 -7.927 134 HE3 LYS 17 3HE LYS 17 8.268 -9.290 -9.212 135 HZ1 LYS 17 3HZ LYS 17 10.664 -7.535 -9.235 136 HZ2 LYS 17 1HZ LYS 17 9.509 -7.640 -10.468 137 HZ3 LYS 17 2HZ LYS 17 10.483 -8.973 -10.105 138 H ALA 18 H ALA 18 4.956 -6.146 -4.122 139 HA ALA 18 HA ALA 18 3.643 -3.714 -4.619 140 HB1 ALA 18 3HB ALA 18 2.288 -4.231 -2.663 141 HB2 ALA 18 1HB ALA 18 3.463 -5.445 -2.152 142 HB3 ALA 18 2HB ALA 18 2.545 -5.676 -3.641 143 H LEU 19 H LEU 19 5.801 -4.621 -1.925 144 HA LEU 19 HA LEU 19 5.700 -2.208 -0.507 145 HB2 LEU 19 2HB LEU 19 6.635 -4.292 0.394 146 HB3 LEU 19 3HB LEU 19 7.972 -4.189 -0.736 147 HG LEU 19 HG LEU 19 8.724 -2.100 0.379 148 HD11 LEU 19 1HD1 LEU 19 6.573 -1.350 1.260 149 HD12 LEU 19 2HD1 LEU 19 7.777 -1.472 2.541 150 HD13 LEU 19 3HD1 LEU 19 6.539 -2.717 2.374 151 HD21 LEU 19 3HD2 LEU 19 8.420 -4.475 2.222 152 HD22 LEU 19 1HD2 LEU 19 9.596 -3.171 2.399 153 HD23 LEU 19 2HD2 LEU 19 9.686 -4.257 1.013 154 H LYS 20 H LYS 20 7.913 -3.236 -3.100 155 HA LYS 20 HA LYS 20 9.626 -0.997 -2.990 156 HB2 LYS 20 2HB LYS 20 10.110 -3.208 -4.114 157 HB3 LYS 20 3HB LYS 20 9.063 -2.696 -5.431 158 HG2 LYS 20 2HG LYS 20 11.370 -2.312 -6.024 159 HG3 LYS 20 3HG LYS 20 10.546 -0.763 -5.831 160 HD2 LYS 20 2HD LYS 20 11.496 -0.539 -3.575 161 HD3 LYS 20 3HD LYS 20 12.314 -2.090 -3.767 162 HE2 LYS 20 2HE LYS 20 13.582 -1.165 -5.668 163 HE3 LYS 20 3HE LYS 20 12.782 0.390 -5.426 164 HZ1 LYS 20 3HZ LYS 20 14.932 0.416 -4.392 165 HZ2 LYS 20 1HZ LYS 20 14.587 -0.985 -3.510 166 HZ3 LYS 20 2HZ LYS 20 13.753 0.448 -3.181 167 H GLU 21 H GLU 21 6.740 -1.647 -4.979 168 HA GLU 21 HA GLU 21 6.883 0.658 -6.586 169 HB2 GLU 21 2HB GLU 21 4.604 -1.138 -5.791 170 HB3 GLU 21 3HB GLU 21 4.324 0.288 -6.783 171 HG2 GLU 21 2HG GLU 21 6.157 -2.008 -7.467 172 HG3 GLU 21 3HG GLU 21 4.549 -1.727 -8.136 173 H MET 22 H MET 22 5.133 0.137 -3.512 174 HA MET 22 HA MET 22 3.898 2.633 -3.352 175 HB2 MET 22 2HB MET 22 4.951 0.973 -1.046 176 HB3 MET 22 3HB MET 22 3.767 2.269 -0.923 177 HG2 MET 22 2HG MET 22 3.446 -0.403 -2.257 178 HG3 MET 22 3HG MET 22 2.577 0.223 -0.858 179 HE1 MET 22 3HE MET 22 2.037 3.301 -1.986 180 HE2 MET 22 1HE MET 22 0.914 2.339 -1.025 181 HE3 MET 22 2HE MET 22 0.386 3.049 -2.549 182 H ILE 23 H ILE 23 7.112 1.662 -2.163 183 HA ILE 23 HA ILE 23 7.872 4.222 -1.196 184 HB ILE 23 HB ILE 23 9.635 1.970 -2.207 185 HG12 ILE 23 2HG1 ILE 23 8.734 2.652 0.612 186 HG13 ILE 23 3HG1 ILE 23 8.135 1.306 -0.350 187 HG21 ILE 23 1HG2 ILE 23 10.331 4.335 -0.456 188 HG22 ILE 23 2HG2 ILE 23 10.833 4.104 -2.131 189 HG23 ILE 23 3HG2 ILE 23 11.414 3.011 -0.876 190 HD11 ILE 23 3HD1 ILE 23 10.958 1.664 0.636 191 HD12 ILE 23 1HD1 ILE 23 10.376 0.323 -0.352 192 HD13 ILE 23 2HD1 ILE 23 9.750 0.552 1.281 193 H ARG 24 H ARG 24 8.321 2.617 -4.322 194 HA ARG 24 HA ARG 24 9.971 4.406 -5.643 195 HB2 ARG 24 2HB ARG 24 9.435 2.255 -6.584 196 HB3 ARG 24 3HB ARG 24 7.729 2.664 -6.682 197 HG2 ARG 24 2HG ARG 24 8.170 4.281 -8.422 198 HG3 ARG 24 3HG ARG 24 9.909 4.008 -8.274 199 HD2 ARG 24 2HD ARG 24 9.667 1.730 -9.028 200 HD3 ARG 24 3HD ARG 24 7.910 1.868 -9.011 201 HE ARG 24 HE ARG 24 8.012 3.197 -10.946 202 HH11 ARG 24 1HH1 ARG 24 11.153 2.213 -9.937 203 HH12 ARG 24 2HH1 ARG 24 11.846 2.438 -11.502 204 HH21 ARG 24 1HH2 ARG 24 8.899 3.483 -12.948 205 HH22 ARG 24 2HH2 ARG 24 10.585 3.175 -13.192 206 H GLN 25 H GLN 25 6.380 4.383 -5.772 207 HA GLN 25 HA GLN 25 6.193 6.885 -7.106 208 HB2 GLN 25 2HB GLN 25 4.246 5.136 -5.636 209 HB3 GLN 25 3HB GLN 25 3.764 6.765 -6.088 210 HG2 GLN 25 2HG GLN 25 3.054 5.075 -7.723 211 HG3 GLN 25 3HG GLN 25 4.125 6.286 -8.423 212 HE21 GLN 25 1HE2 GLN 25 3.799 2.965 -7.457 213 HE22 GLN 25 2HE2 GLN 25 5.197 2.380 -8.294 214 H ALA 26 H ALA 26 6.183 6.009 -3.672 215 HA ALA 26 HA ALA 26 5.426 8.487 -2.598 216 HB1 ALA 26 3HB ALA 26 6.388 7.725 -0.513 217 HB2 ALA 26 1HB ALA 26 7.307 6.477 -1.356 218 HB3 ALA 26 2HB ALA 26 5.546 6.392 -1.302 219 H ARG 27 H ARG 27 8.469 7.466 -3.953 220 HA ARG 27 HA ARG 27 10.238 9.305 -2.831 221 HB2 ARG 27 2HB ARG 27 10.206 8.182 -5.642 222 HB3 ARG 27 3HB ARG 27 11.557 9.061 -4.943 223 HG2 ARG 27 2HG ARG 27 10.453 6.429 -3.964 224 HG3 ARG 27 3HG ARG 27 11.946 6.665 -4.871 225 HD2 ARG 27 2HD ARG 27 11.336 7.670 -2.089 226 HD3 ARG 27 3HD ARG 27 12.455 6.379 -2.524 227 HE ARG 27 HE ARG 27 12.976 9.038 -3.611 228 HH11 ARG 27 1HH1 ARG 27 13.803 6.600 -1.320 229 HH12 ARG 27 2HH1 ARG 27 15.319 7.329 -0.939 230 HH21 ARG 27 1HH2 ARG 27 14.904 9.952 -3.121 231 HH22 ARG 27 2HH2 ARG 27 15.940 9.219 -1.942 232 H LYS 28 H LYS 28 7.746 9.843 -5.223 233 HA LYS 28 HA LYS 28 8.673 12.266 -6.338 234 HB2 LYS 28 2HB LYS 28 5.959 11.013 -6.058 235 HB3 LYS 28 3HB LYS 28 6.087 12.666 -6.629 236 HG2 LYS 28 2HG LYS 28 5.899 11.259 -8.524 237 HG3 LYS 28 3HG LYS 28 7.555 11.850 -8.474 238 HD2 LYS 28 2HD LYS 28 6.960 9.216 -7.198 239 HD3 LYS 28 3HD LYS 28 6.973 9.301 -8.959 240 HE2 LYS 28 2HE LYS 28 9.250 10.252 -8.869 241 HE3 LYS 28 3HE LYS 28 9.229 10.091 -7.113 242 HZ1 LYS 28 3HZ LYS 28 10.380 8.258 -8.268 243 HZ2 LYS 28 1HZ LYS 28 8.921 7.823 -9.004 244 HZ3 LYS 28 2HZ LYS 28 9.080 7.726 -7.326 245 H PHE 29 H PHE 29 7.301 11.581 -3.232 246 HA PHE 29 HA PHE 29 6.832 14.463 -2.742 247 HB2 PHE 29 2HB PHE 29 5.453 12.196 -1.292 248 HB3 PHE 29 3HB PHE 29 5.028 13.904 -1.277 249 HD1 PHE 29 HD1 PHE 29 4.013 14.939 -3.308 250 HD2 PHE 29 HD2 PHE 29 4.673 10.742 -2.997 251 HE1 PHE 29 HE1 PHE 29 2.452 14.555 -5.169 252 HE2 PHE 29 HE2 PHE 29 3.113 10.357 -4.859 253 HZ PHE 29 HZ PHE 29 2.002 12.263 -5.949 254 H ALA 30 H ALA 30 6.916 15.027 -0.353 255 HA ALA 30 HA ALA 30 9.192 13.686 0.944 256 HB1 ALA 30 3HB ALA 30 9.397 15.692 2.305 257 HB2 ALA 30 1HB ALA 30 7.934 16.360 1.582 258 HB3 ALA 30 2HB ALA 30 9.376 16.117 0.595 259 H GLY 31 H GLY 31 8.137 11.895 1.869 260 HA2 GLY 31 2HA GLY 31 6.503 12.479 4.219 261 HA3 GLY 31 3HA GLY 31 5.729 11.528 2.961 262 H THR 32 H THR 32 5.980 10.523 5.486 263 HA THR 32 HA THR 32 8.320 8.748 5.515 264 HB THR 32 HB THR 32 6.195 9.175 7.632 265 HG1 THR 32 HG1 THR 32 7.894 10.307 8.703 266 HG21 THR 32 3HG2 THR 32 7.758 7.957 9.115 267 HG22 THR 32 1HG2 THR 32 8.785 7.613 7.724 268 HG23 THR 32 2HG2 THR 32 7.155 6.944 7.805 269 H VAL 33 H VAL 33 8.186 6.747 4.744 270 HA VAL 33 HA VAL 33 5.576 5.352 4.759 271 HB VAL 33 HB VAL 33 7.942 4.844 2.928 272 HG11 VAL 33 1HG1 VAL 33 6.401 3.334 1.725 273 HG12 VAL 33 2HG1 VAL 33 5.186 3.596 2.979 274 HG13 VAL 33 3HG1 VAL 33 6.709 2.798 3.379 275 HG21 VAL 33 3HG2 VAL 33 6.832 6.944 2.380 276 HG22 VAL 33 1HG2 VAL 33 5.267 6.128 2.334 277 HG23 VAL 33 2HG2 VAL 33 6.507 5.734 1.139 278 H THR 34 H THR 34 5.439 3.765 6.237 279 HA THR 34 HA THR 34 7.867 2.206 6.881 280 HB THR 34 HB THR 34 7.506 3.747 8.748 281 HG1 THR 34 HG1 THR 34 7.512 2.160 10.355 282 HG21 THR 34 3HG2 THR 34 4.773 2.465 8.989 283 HG22 THR 34 1HG2 THR 34 5.097 4.126 8.490 284 HG23 THR 34 2HG2 THR 34 5.480 3.608 10.131 285 H TYR 35 H TYR 35 7.321 0.100 8.005 286 HA TYR 35 HA TYR 35 4.706 -1.003 7.441 287 HB2 TYR 35 2HB TYR 35 5.439 -2.704 5.864 288 HB3 TYR 35 3HB TYR 35 5.803 -1.109 5.222 289 HD1 TYR 35 HD2 TYR 35 8.179 -0.288 5.234 290 HD2 TYR 35 HD1 TYR 35 7.174 -4.290 6.292 291 HE1 TYR 35 HE2 TYR 35 10.519 -0.963 4.902 292 HE2 TYR 35 HE1 TYR 35 9.510 -4.971 5.963 293 HH TYR 35 HH TYR 35 12.051 -2.741 5.633 294 H THR 36 H THR 36 4.299 -2.950 8.493 295 HA THR 36 HA THR 36 6.499 -4.193 10.009 296 HB THR 36 HB THR 36 5.591 -2.872 11.721 297 HG1 THR 36 HG1 THR 36 5.545 -4.703 12.811 298 HG21 THR 36 3HG2 THR 36 3.610 -2.081 10.492 299 HG22 THR 36 1HG2 THR 36 3.213 -2.559 12.143 300 HG23 THR 36 2HG2 THR 36 2.815 -3.627 10.795 301 H LEU 37 H LEU 37 6.396 -6.392 10.170 302 HA LEU 37 HA LEU 37 4.360 -7.742 8.584 303 HB2 LEU 37 2HB LEU 37 6.957 -8.632 9.823 304 HB3 LEU 37 3HB LEU 37 5.818 -9.796 9.177 305 HG LEU 37 HG LEU 37 7.548 -9.357 7.549 306 HD11 LEU 37 1HD1 LEU 37 4.948 -8.068 6.717 307 HD12 LEU 37 2HD1 LEU 37 5.292 -9.798 6.717 308 HD13 LEU 37 3HD1 LEU 37 6.179 -8.723 5.636 309 HD21 LEU 37 3HD2 LEU 37 6.715 -6.456 7.676 310 HD22 LEU 37 1HD2 LEU 37 7.890 -7.151 6.560 311 HD23 LEU 37 2HD2 LEU 37 8.224 -7.127 8.292 312 H ASP 38 H ASP 38 2.695 -8.886 9.366 313 HA ASP 38 HA ASP 38 2.736 -9.744 12.184 314 HB2 ASP 38 2HB ASP 38 1.388 -7.662 11.943 315 HB3 ASP 38 3HB ASP 38 0.348 -8.499 10.794 316 H GLY 39 H GLY 39 2.848 -11.910 12.000 317 HA2 GLY 39 2HA GLY 39 2.193 -14.068 11.563 318 HA3 GLY 39 3HA GLY 39 0.633 -13.417 11.096 319 H ASN 40 H ASN 40 0.143 -13.155 8.932 320 HA ASN 40 HA ASN 40 2.200 -14.037 6.995 321 HB2 ASN 40 2HB ASN 40 -0.735 -14.781 7.049 322 HB3 ASN 40 3HB ASN 40 0.357 -15.145 5.715 323 HD21 ASN 40 1HD2 ASN 40 1.961 -16.704 6.003 324 HD22 ASN 40 2HD2 ASN 40 1.911 -17.837 7.303 325 H ASP 41 H ASP 41 0.749 -11.345 7.873 326 HA ASP 41 HA ASP 41 0.474 -10.400 5.098 327 HB2 ASP 41 2HB ASP 41 -1.423 -8.960 5.780 328 HB3 ASP 41 3HB ASP 41 -1.778 -10.677 5.901 329 H LEU 42 H LEU 42 0.699 -8.072 4.825 330 HA LEU 42 HA LEU 42 2.727 -6.988 6.671 331 HB2 LEU 42 2HB LEU 42 3.575 -7.456 4.450 332 HB3 LEU 42 3HB LEU 42 2.279 -6.529 3.717 333 HG LEU 42 HG LEU 42 3.197 -4.466 4.731 334 HD11 LEU 42 1HD1 LEU 42 5.443 -4.510 5.723 335 HD12 LEU 42 2HD1 LEU 42 5.428 -6.273 5.664 336 HD13 LEU 42 3HD1 LEU 42 4.273 -5.410 6.682 337 HD21 LEU 42 3HD2 LEU 42 5.149 -4.271 3.276 338 HD22 LEU 42 1HD2 LEU 42 3.830 -5.102 2.454 339 HD23 LEU 42 2HD2 LEU 42 5.196 -6.024 3.085 340 H GLU 43 H GLU 43 2.236 -5.213 7.791 341 HA GLU 43 HA GLU 43 -0.126 -3.617 7.047 342 HB2 GLU 43 2HB GLU 43 0.168 -4.734 9.341 343 HB3 GLU 43 3HB GLU 43 1.397 -3.525 9.659 344 HG2 GLU 43 2HG GLU 43 -1.395 -2.746 8.879 345 HG3 GLU 43 3HG GLU 43 -0.985 -3.144 10.544 346 H ILE 44 H ILE 44 0.389 -1.892 5.787 347 HA ILE 44 HA ILE 44 2.934 -0.468 6.256 348 HB ILE 44 HB ILE 44 1.207 -0.466 3.766 349 HG12 ILE 44 2HG1 ILE 44 3.861 -1.842 4.298 350 HG13 ILE 44 3HG1 ILE 44 2.301 -2.643 4.139 351 HG21 ILE 44 1HG2 ILE 44 2.421 1.625 4.025 352 HG22 ILE 44 2HG2 ILE 44 3.108 0.683 2.702 353 HG23 ILE 44 3HG2 ILE 44 3.932 0.746 4.264 354 HD11 ILE 44 3HD1 ILE 44 3.584 -2.863 2.105 355 HD12 ILE 44 1HD1 ILE 44 3.745 -1.112 1.985 356 HD13 ILE 44 2HD1 ILE 44 2.159 -1.867 1.814 357 H ARG 45 H ARG 45 2.989 1.685 6.651 358 HA ARG 45 HA ARG 45 0.456 3.210 6.590 359 HB2 ARG 45 2HB ARG 45 1.084 2.737 8.908 360 HB3 ARG 45 3HB ARG 45 2.685 3.410 8.635 361 HG2 ARG 45 2HG ARG 45 1.619 5.613 8.170 362 HG3 ARG 45 3HG ARG 45 0.064 4.906 8.610 363 HD2 ARG 45 2HD ARG 45 0.922 4.405 10.848 364 HD3 ARG 45 3HD ARG 45 2.485 5.090 10.408 365 HE ARG 45 HE ARG 45 0.315 6.936 10.075 366 HH11 ARG 45 1HH1 ARG 45 2.618 5.660 12.288 367 HH12 ARG 45 2HH1 ARG 45 2.487 7.006 13.361 368 HH21 ARG 45 1HH2 ARG 45 0.168 8.659 11.458 369 HH22 ARG 45 2HH2 ARG 45 1.110 8.679 12.906 370 H ILE 46 H ILE 46 0.543 4.893 5.217 371 HA ILE 46 HA ILE 46 3.169 6.130 4.639 372 HB ILE 46 HB ILE 46 0.737 5.984 2.838 373 HG12 ILE 46 2HG1 ILE 46 3.469 4.672 2.646 374 HG13 ILE 46 3HG1 ILE 46 1.948 3.855 2.994 375 HG21 ILE 46 1HG2 ILE 46 2.162 7.058 1.142 376 HG22 ILE 46 2HG2 ILE 46 3.440 7.248 2.343 377 HG23 ILE 46 3HG2 ILE 46 1.910 8.106 2.540 378 HD11 ILE 46 3HD1 ILE 46 2.688 5.225 0.419 379 HD12 ILE 46 1HD1 ILE 46 1.134 4.462 0.758 380 HD13 ILE 46 2HD1 ILE 46 2.604 3.489 0.706 381 H THR 47 H THR 47 3.442 8.133 5.359 382 HA THR 47 HA THR 47 1.075 9.845 5.847 383 HB THR 47 HB THR 47 3.643 9.755 7.456 384 HG1 THR 47 HG1 THR 47 1.372 9.293 8.854 385 HG21 THR 47 3HG2 THR 47 2.709 12.026 7.348 386 HG22 THR 47 1HG2 THR 47 2.534 11.344 8.964 387 HG23 THR 47 2HG2 THR 47 1.145 11.411 7.880 388 H GLY 48 H GLY 48 1.051 11.733 4.762 389 HA2 GLY 48 2HA GLY 48 2.171 13.849 4.311 390 HA3 GLY 48 3HA GLY 48 3.632 12.946 3.961 391 H VAL 49 H VAL 49 0.240 12.838 2.786 392 HA VAL 49 HA VAL 49 1.255 13.171 0.038 393 HB VAL 49 HB VAL 49 -0.417 11.505 -0.771 394 HG11 VAL 49 1HG1 VAL 49 1.623 10.409 1.168 395 HG12 VAL 49 2HG1 VAL 49 1.928 10.873 -0.506 396 HG13 VAL 49 3HG1 VAL 49 0.863 9.514 -0.148 397 HG21 VAL 49 3HG2 VAL 49 -1.399 9.913 0.809 398 HG22 VAL 49 1HG2 VAL 49 -1.948 11.557 1.140 399 HG23 VAL 49 2HG2 VAL 49 -0.711 10.817 2.158 400 HA PRO 50 HA PRO 50 -2.168 16.046 -0.211 401 HB2 PRO 50 2HB PRO 50 -1.973 16.747 -2.776 402 HB3 PRO 50 3HB PRO 50 -0.677 17.124 -1.633 403 HG2 PRO 50 2HG PRO 50 -0.833 14.911 -3.657 404 HG3 PRO 50 3HG PRO 50 0.540 15.955 -3.242 405 HD2 PRO 50 2HD PRO 50 0.151 13.387 -2.268 406 HD3 PRO 50 3HD PRO 50 1.167 14.620 -1.495 407 H GLU 51 H GLU 51 -4.251 16.405 -1.275 408 HA GLU 51 HA GLU 51 -5.766 14.057 -1.625 409 HB2 GLU 51 2HB GLU 51 -6.800 16.119 -0.859 410 HB3 GLU 51 3HB GLU 51 -6.427 16.912 -2.385 411 HG2 GLU 51 2HG GLU 51 -7.875 15.172 -3.511 412 HG3 GLU 51 3HG GLU 51 -8.388 14.678 -1.898 413 H GLN 52 H GLN 52 -4.265 16.200 -3.995 414 HA GLN 52 HA GLN 52 -5.687 15.386 -6.267 415 HB2 GLN 52 2HB GLN 52 -3.837 16.361 -7.564 416 HB3 GLN 52 3HB GLN 52 -4.352 17.404 -6.246 417 HG2 GLN 52 2HG GLN 52 -2.437 16.545 -4.901 418 HG3 GLN 52 3HG GLN 52 -1.886 15.676 -6.335 419 HE21 GLN 52 1HE2 GLN 52 -0.563 17.805 -4.846 420 HE22 GLN 52 2HE2 GLN 52 -0.284 19.077 -5.977 421 H VAL 53 H VAL 53 -3.249 13.683 -4.529 422 HA VAL 53 HA VAL 53 -3.013 11.723 -6.735 423 HB VAL 53 HB VAL 53 -1.174 11.957 -4.342 424 HG11 VAL 53 1HG1 VAL 53 -0.807 10.558 -6.996 425 HG12 VAL 53 2HG1 VAL 53 -1.173 9.770 -5.461 426 HG13 VAL 53 3HG1 VAL 53 0.362 10.610 -5.674 427 HG21 VAL 53 3HG2 VAL 53 0.411 13.098 -5.840 428 HG22 VAL 53 1HG2 VAL 53 -1.066 14.032 -5.608 429 HG23 VAL 53 2HG2 VAL 53 -0.818 13.131 -7.103 430 H ARG 54 H ARG 54 -4.690 12.260 -3.976 431 HA ARG 54 HA ARG 54 -4.519 10.034 -2.343 432 HB2 ARG 54 2HB ARG 54 -5.815 11.954 -1.691 433 HB3 ARG 54 3HB ARG 54 -6.900 11.752 -3.058 434 HG2 ARG 54 2HG ARG 54 -8.062 11.028 -1.124 435 HG3 ARG 54 3HG ARG 54 -7.641 9.583 -2.039 436 HD2 ARG 54 2HD ARG 54 -6.107 10.638 0.339 437 HD3 ARG 54 3HD ARG 54 -7.299 9.344 0.403 438 HE ARG 54 HE ARG 54 -5.606 8.366 -1.395 439 HH11 ARG 54 1HH1 ARG 54 -5.010 9.876 1.637 440 HH12 ARG 54 2HH1 ARG 54 -3.566 8.978 1.929 441 HH21 ARG 54 1HH2 ARG 54 -3.738 7.242 -1.040 442 HH22 ARG 54 2HH2 ARG 54 -2.851 7.481 0.417 443 H LYS 55 H LYS 55 -6.881 10.491 -4.981 444 HA LYS 55 HA LYS 55 -8.023 7.907 -4.765 445 HB2 LYS 55 2HB LYS 55 -8.061 9.823 -7.111 446 HB3 LYS 55 3HB LYS 55 -9.153 8.464 -6.875 447 HG2 LYS 55 2HG LYS 55 -10.149 9.503 -4.954 448 HG3 LYS 55 3HG LYS 55 -8.940 10.787 -4.962 449 HD2 LYS 55 2HD LYS 55 -11.056 11.578 -5.892 450 HD3 LYS 55 3HD LYS 55 -9.790 11.583 -7.120 451 HE2 LYS 55 2HE LYS 55 -10.648 9.442 -7.979 452 HE3 LYS 55 3HE LYS 55 -11.931 9.484 -6.771 453 HZ1 LYS 55 3HZ LYS 55 -12.664 10.272 -8.948 454 HZ2 LYS 55 1HZ LYS 55 -11.525 11.522 -8.895 455 HZ3 LYS 55 2HZ LYS 55 -12.792 11.482 -7.776 456 H GLU 56 H GLU 56 -5.389 9.194 -6.701 457 HA GLU 56 HA GLU 56 -5.066 7.049 -8.492 458 HB2 GLU 56 2HB GLU 56 -2.975 8.946 -7.394 459 HB3 GLU 56 3HB GLU 56 -2.760 7.905 -8.795 460 HG2 GLU 56 2HG GLU 56 -4.756 10.155 -8.552 461 HG3 GLU 56 3HG GLU 56 -3.237 10.205 -9.445 462 H LEU 57 H LEU 57 -3.403 7.707 -5.392 463 HA LEU 57 HA LEU 57 -1.909 5.325 -5.296 464 HB2 LEU 57 2HB LEU 57 -2.977 7.012 -3.026 465 HB3 LEU 57 3HB LEU 57 -1.770 5.752 -2.848 466 HG LEU 57 HG LEU 57 -1.436 8.293 -4.459 467 HD11 LEU 57 1HD1 LEU 57 -1.453 8.681 -2.036 468 HD12 LEU 57 2HD1 LEU 57 0.139 8.964 -2.741 469 HD13 LEU 57 3HD1 LEU 57 -0.174 7.481 -1.840 470 HD21 LEU 57 3HD2 LEU 57 0.913 7.604 -4.670 471 HD22 LEU 57 1HD2 LEU 57 -0.177 6.455 -5.446 472 HD23 LEU 57 2HD2 LEU 57 0.533 6.074 -3.878 473 H ALA 58 H ALA 58 -5.184 6.058 -4.184 474 HA ALA 58 HA ALA 58 -5.708 3.672 -2.799 475 HB1 ALA 58 3HB ALA 58 -7.123 5.678 -2.650 476 HB2 ALA 58 1HB ALA 58 -8.064 4.236 -3.035 477 HB3 ALA 58 2HB ALA 58 -7.676 5.403 -4.301 478 H LYS 59 H LYS 59 -6.145 4.492 -6.236 479 HA LYS 59 HA LYS 59 -7.266 1.923 -6.885 480 HB2 LYS 59 2HB LYS 59 -7.928 3.892 -8.148 481 HB3 LYS 59 3HB LYS 59 -6.267 4.156 -8.666 482 HG2 LYS 59 2HG LYS 59 -6.281 2.252 -10.056 483 HG3 LYS 59 3HG LYS 59 -7.754 1.622 -9.319 484 HD2 LYS 59 2HD LYS 59 -7.556 4.131 -10.997 485 HD3 LYS 59 3HD LYS 59 -8.181 2.571 -11.543 486 HE2 LYS 59 2HE LYS 59 -9.334 4.309 -9.356 487 HE3 LYS 59 3HE LYS 59 -10.024 4.035 -10.958 488 HZ1 LYS 59 3HZ LYS 59 -10.249 1.674 -10.378 489 HZ2 LYS 59 1HZ LYS 59 -11.134 2.669 -9.338 490 HZ3 LYS 59 2HZ LYS 59 -9.672 1.993 -8.822 491 H GLU 60 H GLU 60 -4.048 3.371 -7.044 492 HA GLU 60 HA GLU 60 -2.840 1.337 -8.586 493 HB2 GLU 60 2HB GLU 60 -1.818 3.569 -8.073 494 HB3 GLU 60 3HB GLU 60 -1.487 2.991 -6.443 495 HG2 GLU 60 2HG GLU 60 0.010 1.316 -7.256 496 HG3 GLU 60 3HG GLU 60 -0.473 1.613 -8.923 497 H ALA 61 H ALA 61 -3.504 1.611 -5.129 498 HA ALA 61 HA ALA 61 -2.247 -0.702 -4.198 499 HB1 ALA 61 3HB ALA 61 -3.321 0.919 -2.713 500 HB2 ALA 61 1HB ALA 61 -3.937 -0.709 -2.416 501 HB3 ALA 61 2HB ALA 61 -4.906 0.447 -3.329 502 H GLU 62 H GLU 62 -5.380 -0.316 -5.844 503 HA GLU 62 HA GLU 62 -6.265 -2.976 -5.732 504 HB2 GLU 62 2HB GLU 62 -6.680 -0.954 -7.951 505 HB3 GLU 62 3HB GLU 62 -7.590 -2.443 -7.763 506 HG2 GLU 62 2HG GLU 62 -8.465 -1.611 -5.614 507 HG3 GLU 62 3HG GLU 62 -7.572 -0.109 -5.854 508 H ARG 63 H ARG 63 -4.182 -1.337 -8.102 509 HA ARG 63 HA ARG 63 -3.764 -3.412 -9.907 510 HB2 ARG 63 2HB ARG 63 -2.911 -1.296 -10.511 511 HB3 ARG 63 3HB ARG 63 -2.018 -1.126 -9.007 512 HG2 ARG 63 2HG ARG 63 -0.467 -2.885 -9.729 513 HG3 ARG 63 3HG ARG 63 -1.359 -3.041 -11.245 514 HD2 ARG 63 2HD ARG 63 0.000 -0.519 -10.282 515 HD3 ARG 63 3HD ARG 63 0.686 -1.653 -11.447 516 HE ARG 63 HE ARG 63 -1.349 -1.113 -12.837 517 HH11 ARG 63 1HH1 ARG 63 0.010 1.160 -10.627 518 HH12 ARG 63 2HH1 ARG 63 -0.629 2.524 -11.473 519 HH21 ARG 63 1HH2 ARG 63 -2.121 0.631 -13.928 520 HH22 ARG 63 2HH2 ARG 63 -1.814 2.231 -13.336 521 H LEU 64 H LEU 64 -1.790 -2.606 -7.035 522 HA LEU 64 HA LEU 64 0.083 -4.661 -7.271 523 HB2 LEU 64 2HB LEU 64 -0.980 -3.359 -4.758 524 HB3 LEU 64 3HB LEU 64 0.487 -4.318 -4.851 525 HG LEU 64 HG LEU 64 0.023 -1.701 -6.299 526 HD11 LEU 64 1HD1 LEU 64 1.722 -2.321 -3.881 527 HD12 LEU 64 2HD1 LEU 64 0.241 -1.363 -3.897 528 HD13 LEU 64 3HD1 LEU 64 1.676 -0.781 -4.741 529 HD21 LEU 64 3HD2 LEU 64 2.404 -1.833 -6.855 530 HD22 LEU 64 1HD2 LEU 64 1.507 -3.188 -7.536 531 HD23 LEU 64 2HD2 LEU 64 2.497 -3.421 -6.094 532 H ALA 65 H ALA 65 -3.082 -4.674 -5.695 533 HA ALA 65 HA ALA 65 -2.837 -7.285 -4.565 534 HB1 ALA 65 3HB ALA 65 -5.307 -5.652 -5.144 535 HB2 ALA 65 1HB ALA 65 -4.378 -5.643 -3.645 536 HB3 ALA 65 2HB ALA 65 -5.245 -7.098 -4.138 537 H LYS 66 H LYS 66 -4.722 -6.087 -7.350 538 HA LYS 66 HA LYS 66 -5.702 -8.644 -8.082 539 HB2 LYS 66 2HB LYS 66 -5.534 -6.134 -9.763 540 HB3 LYS 66 3HB LYS 66 -6.542 -7.536 -10.100 541 HG2 LYS 66 2HG LYS 66 -6.797 -5.738 -7.686 542 HG3 LYS 66 3HG LYS 66 -7.826 -5.682 -9.118 543 HD2 LYS 66 2HD LYS 66 -7.531 -8.104 -7.328 544 HD3 LYS 66 3HD LYS 66 -8.822 -6.913 -7.174 545 HE2 LYS 66 2HE LYS 66 -8.272 -8.577 -9.635 546 HE3 LYS 66 3HE LYS 66 -9.520 -8.917 -8.436 547 HZ1 LYS 66 3HZ LYS 66 -10.512 -6.747 -8.965 548 HZ2 LYS 66 1HZ LYS 66 -10.472 -7.777 -10.307 549 HZ3 LYS 66 2HZ LYS 66 -9.356 -6.517 -10.176 550 H GLU 67 H GLU 67 -2.751 -6.979 -8.886 551 HA GLU 67 HA GLU 67 -2.084 -8.287 -11.285 552 HB2 GLU 67 2HB GLU 67 -0.895 -6.366 -9.725 553 HB3 GLU 67 3HB GLU 67 0.175 -7.729 -9.452 554 HG2 GLU 67 2HG GLU 67 -0.530 -6.512 -12.122 555 HG3 GLU 67 3HG GLU 67 0.989 -6.323 -11.253 556 H PHE 68 H PHE 68 -1.294 -9.131 -7.917 557 HA PHE 68 HA PHE 68 -0.477 -11.825 -8.792 558 HB2 PHE 68 2HB PHE 68 -0.001 -10.374 -6.172 559 HB3 PHE 68 3HB PHE 68 0.534 -12.015 -6.520 560 HD1 PHE 68 HD2 PHE 68 1.069 -8.453 -7.247 561 HD2 PHE 68 HD1 PHE 68 2.407 -12.433 -7.987 562 HE1 PHE 68 HE2 PHE 68 3.147 -7.572 -8.225 563 HE2 PHE 68 HE1 PHE 68 4.486 -11.554 -8.963 564 HZ PHE 68 HZ PHE 68 4.857 -9.121 -9.085 565 H ASN 69 H ASN 69 -3.247 -10.459 -8.035 566 HA ASN 69 HA ASN 69 -5.267 -11.132 -7.260 567 HB2 ASN 69 2HB ASN 69 -3.929 -13.836 -7.441 568 HB3 ASN 69 3HB ASN 69 -5.632 -13.629 -7.035 569 HD21 ASN 69 1HD2 ASN 69 -3.245 -13.392 -9.544 570 HD22 ASN 69 2HD2 ASN 69 -4.362 -13.211 -10.852 571 H ILE 70 H ILE 70 -3.138 -10.404 -5.321 572 HA ILE 70 HA ILE 70 -3.688 -12.070 -2.993 573 HB ILE 70 HB ILE 70 -2.037 -10.715 -1.820 574 HG12 ILE 70 2HG1 ILE 70 -1.866 -9.090 -4.382 575 HG13 ILE 70 3HG1 ILE 70 -2.542 -8.527 -2.856 576 HG21 ILE 70 1HG2 ILE 70 -0.066 -11.274 -3.185 577 HG22 ILE 70 2HG2 ILE 70 -1.117 -11.542 -4.578 578 HG23 ILE 70 3HG2 ILE 70 -1.247 -12.584 -3.161 579 HD11 ILE 70 3HD1 ILE 70 -0.306 -7.657 -3.214 580 HD12 ILE 70 1HD1 ILE 70 0.330 -9.297 -3.333 581 HD13 ILE 70 2HD1 ILE 70 -0.348 -8.722 -1.810 582 H THR 71 H THR 71 -4.157 -10.917 -0.873 583 HA THR 71 HA THR 71 -6.559 -9.300 -1.229 584 HB THR 71 HB THR 71 -5.358 -10.391 1.335 585 HG1 THR 71 HG1 THR 71 -7.539 -11.457 -0.168 586 HG21 THR 71 3HG2 THR 71 -6.917 -8.551 1.737 587 HG22 THR 71 1HG2 THR 71 -7.627 -10.082 2.250 588 HG23 THR 71 2HG2 THR 71 -8.133 -9.340 0.732 589 H VAL 72 H VAL 72 -6.847 -7.205 -0.490 590 HA VAL 72 HA VAL 72 -4.688 -5.925 1.016 591 HB VAL 72 HB VAL 72 -4.198 -5.460 -1.368 592 HG11 VAL 72 1HG1 VAL 72 -6.865 -4.042 -1.378 593 HG12 VAL 72 2HG1 VAL 72 -6.474 -5.521 -2.256 594 HG13 VAL 72 3HG1 VAL 72 -5.673 -4.005 -2.678 595 HG21 VAL 72 3HG2 VAL 72 -3.553 -3.843 0.371 596 HG22 VAL 72 1HG2 VAL 72 -5.094 -3.009 0.165 597 HG23 VAL 72 2HG2 VAL 72 -3.924 -3.044 -1.156 598 H THR 73 H THR 73 -5.420 -4.581 2.561 599 HA THR 73 HA THR 73 -8.146 -3.448 2.291 600 HB THR 73 HB THR 73 -8.324 -3.342 4.721 601 HG1 THR 73 HG1 THR 73 -6.385 -4.858 5.620 602 HG21 THR 73 3HG2 THR 73 -8.441 -5.737 5.253 603 HG22 THR 73 1HG2 THR 73 -7.483 -6.106 3.818 604 HG23 THR 73 2HG2 THR 73 -9.095 -5.406 3.649 605 H TYR 74 H TYR 74 -8.195 -1.284 2.073 606 HA TYR 74 HA TYR 74 -5.899 0.270 3.078 607 HB2 TYR 74 2HB TYR 74 -6.054 1.709 1.046 608 HB3 TYR 74 3HB TYR 74 -5.547 0.060 0.710 609 HD1 TYR 74 HD2 TYR 74 -7.175 -1.538 -0.338 610 HD2 TYR 74 HD1 TYR 74 -8.037 2.616 0.065 611 HE1 TYR 74 HE2 TYR 74 -8.944 -1.743 -2.033 612 HE2 TYR 74 HE1 TYR 74 -9.805 2.417 -1.631 613 HH TYR 74 HH TYR 74 -10.371 0.915 -3.539 614 H THR 75 H THR 75 -6.326 2.141 4.081 615 HA THR 75 HA THR 75 -9.087 3.187 4.067 616 HB THR 75 HB THR 75 -7.403 2.730 6.556 617 HG1 THR 75 HG1 THR 75 -8.521 0.948 6.779 618 HG21 THR 75 3HG2 THR 75 -8.729 4.775 6.763 619 HG22 THR 75 1HG2 THR 75 -9.389 3.505 7.796 620 HG23 THR 75 2HG2 THR 75 -10.182 3.902 6.271 621 H ILE 76 H ILE 76 -9.266 5.439 4.459 622 HA ILE 76 HA ILE 76 -6.748 6.909 4.069 623 HB ILE 76 HB ILE 76 -9.550 7.988 3.711 624 HG12 ILE 76 2HG1 ILE 76 -9.243 6.124 2.165 625 HG13 ILE 76 3HG1 ILE 76 -9.199 7.641 1.277 626 HG21 ILE 76 1HG2 ILE 76 -6.867 8.994 2.741 627 HG22 ILE 76 2HG2 ILE 76 -7.828 9.690 4.046 628 HG23 ILE 76 3HG2 ILE 76 -8.432 9.732 2.390 629 HD11 ILE 76 3HD1 ILE 76 -6.751 7.504 1.200 630 HD12 ILE 76 1HD1 ILE 76 -7.523 6.106 0.452 631 HD13 ILE 76 2HD1 ILE 76 -6.820 5.968 2.063 632 H ARG 77 H ARG 77 -5.867 7.740 5.858 633 HA ARG 77 HA ARG 77 -7.463 8.254 8.223 634 HB2 ARG 77 2HB ARG 77 -4.516 8.338 7.635 635 HB3 ARG 77 3HB ARG 77 -5.154 9.008 9.129 636 HG2 ARG 77 2HG ARG 77 -6.010 6.875 9.800 637 HG3 ARG 77 3HG ARG 77 -5.608 6.168 8.235 638 HD2 ARG 77 2HD ARG 77 -4.005 5.603 10.074 639 HD3 ARG 77 3HD ARG 77 -3.263 6.358 8.664 640 HE ARG 77 HE ARG 77 -3.387 8.486 10.037 641 HH11 ARG 77 1HH1 ARG 77 -3.088 5.383 11.519 642 HH12 ARG 77 2HH1 ARG 77 -2.243 6.011 12.889 643 HH21 ARG 77 1HH2 ARG 77 -2.278 9.257 11.774 644 HH22 ARG 77 2HH2 ARG 77 -1.800 8.179 13.044 645 H LEU 78 H LEU 78 -8.678 10.064 8.104 646 HA LEU 78 HA LEU 78 -7.330 12.622 7.537 647 HB2 LEU 78 2HB LEU 78 -10.269 11.972 7.890 648 HB3 LEU 78 3HB LEU 78 -9.643 13.596 7.693 649 HG LEU 78 HG LEU 78 -10.509 12.942 5.587 650 HD11 LEU 78 1HD1 LEU 78 -8.567 13.013 4.122 651 HD12 LEU 78 2HD1 LEU 78 -7.516 12.588 5.473 652 HD13 LEU 78 3HD1 LEU 78 -8.379 14.126 5.476 653 HD21 LEU 78 3HD2 LEU 78 -10.614 10.529 5.971 654 HD22 LEU 78 1HD2 LEU 78 -8.864 10.417 5.773 655 HD23 LEU 78 2HD2 LEU 78 -9.878 10.900 4.413 656 H GLU 79 H GLU 79 -7.650 14.391 9.066 657 HA GLU 79 HA GLU 79 -7.280 13.606 11.794 658 HB2 GLU 79 2HB GLU 79 -6.121 15.556 10.985 659 HB3 GLU 79 3HB GLU 79 -7.620 16.298 10.450 660 HG2 GLU 79 2HG GLU 79 -6.861 17.397 12.438 661 HG3 GLU 79 3HG GLU 79 -8.332 16.503 12.806 662 H HIS 80 H HIS 80 -8.729 13.644 13.497 663 HA HIS 80 HA HIS 80 -11.537 13.974 12.936 664 HB2 HIS 80 2HB HIS 80 -11.862 13.579 15.375 665 HB3 HIS 80 3HB HIS 80 -10.924 12.317 14.593 666 HD1 HIS 80 HD1 HIS 80 -10.683 15.034 17.135 667 HD2 HIS 80 HD2 HIS 80 -8.245 12.121 15.453 668 HE1 HIS 80 HE1 HIS 80 -8.649 14.930 18.601 669 HE2 HIS 80 HE2 HIS 80 -7.098 13.340 17.424 670 H HIS 81 H HIS 81 -11.172 16.120 12.040 671 HA HIS 81 HA HIS 81 -10.115 18.263 13.541 672 HB2 HIS 81 2HB HIS 81 -10.221 18.076 11.027 673 HB3 HIS 81 3HB HIS 81 -11.939 18.448 11.130 674 HD1 HIS 81 HD1 HIS 81 -12.542 20.876 11.122 675 HD2 HIS 81 HD2 HIS 81 -8.524 20.258 11.974 676 HE1 HIS 81 HE1 HIS 81 -11.505 23.161 11.165 677 HE2 HIS 81 HE2 HIS 81 -9.048 22.743 11.495 678 H HIS 82 H HIS 82 -11.027 19.703 14.875 679 HA HIS 82 HA HIS 82 -13.676 19.273 15.860 680 HB2 HIS 82 2HB HIS 82 -11.718 21.520 16.406 681 HB3 HIS 82 3HB HIS 82 -13.206 21.237 17.307 682 HD1 HIS 82 HD1 HIS 82 -13.113 19.530 19.172 683 HD2 HIS 82 HD2 HIS 82 -9.714 19.482 16.785 684 HE1 HIS 82 HE1 HIS 82 -11.507 17.989 20.322 685 HE2 HIS 82 HE2 HIS 82 -9.396 18.128 18.962 686 H HIS 83 H HIS 83 -15.317 19.716 14.501 687 HA HIS 83 HA HIS 83 -15.724 22.461 13.644 688 HB2 HIS 83 2HB HIS 83 -14.436 21.513 11.777 689 HB3 HIS 83 3HB HIS 83 -15.591 20.193 11.635 690 HD1 HIS 83 HD1 HIS 83 -15.314 23.917 11.073 691 HD2 HIS 83 HD2 HIS 83 -17.832 20.752 10.127 692 HE1 HIS 83 HE1 HIS 83 -16.934 24.828 9.395 693 HE2 HIS 83 HE2 HIS 83 -18.556 22.954 8.983 694 H HIS 84 H HIS 84 -17.843 23.012 13.519 695 HA HIS 84 HA HIS 84 -19.877 20.867 13.649 696 HB2 HIS 84 2HB HIS 84 -21.229 22.325 15.114 697 HB3 HIS 84 3HB HIS 84 -19.678 21.939 15.849 698 HD1 HIS 84 HD1 HIS 84 -21.644 24.780 14.410 699 HD2 HIS 84 HD2 HIS 84 -17.944 24.135 16.199 700 HE1 HIS 84 HE1 HIS 84 -20.744 27.058 14.932 701 HE2 HIS 84 HE2 HIS 84 -18.469 26.655 15.919 702 H HIS 85 H HIS 85 -22.169 21.969 13.141 703 HA HIS 85 HA HIS 85 -21.831 23.331 10.579 704 HB2 HIS 85 2HB HIS 85 -24.324 22.937 10.350 705 HB3 HIS 85 3HB HIS 85 -23.331 21.491 10.461 706 HD1 HIS 85 HD1 HIS 85 -23.618 20.013 12.548 707 HD2 HIS 85 HD2 HIS 85 -26.093 23.346 12.502 708 HE1 HIS 85 HE1 HIS 85 -25.298 19.623 14.361 709 HE2 HIS 85 HE2 HIS 85 -26.643 21.741 14.453 Start of MODEL 14 1 H1 MET 1 1H MET 1 -3.547 14.188 6.762 2 H2 MET 1 2H MET 1 -4.505 15.241 5.853 3 H3 MET 1 3H MET 1 -3.041 14.678 5.223 4 HA MET 1 HA MET 1 -5.430 13.025 5.830 5 HB2 MET 1 2HB MET 1 -5.413 14.624 3.781 6 HB3 MET 1 3HB MET 1 -4.232 13.516 3.099 7 HG2 MET 1 2HG MET 1 -7.016 12.756 3.972 8 HG3 MET 1 3HG MET 1 -6.530 13.102 2.316 9 HE1 MET 1 3HE MET 1 -4.064 10.160 1.559 10 HE2 MET 1 1HE MET 1 -3.637 11.753 2.178 11 HE3 MET 1 2HE MET 1 -4.857 11.599 0.914 12 H GLU 2 H GLU 2 -4.654 11.183 6.685 13 HA GLU 2 HA GLU 2 -2.106 10.087 5.688 14 HB2 GLU 2 2HB GLU 2 -2.381 10.512 8.140 15 HB3 GLU 2 3HB GLU 2 -3.664 9.309 8.164 16 HG2 GLU 2 2HG GLU 2 -2.025 7.612 7.386 17 HG3 GLU 2 3HG GLU 2 -0.759 8.834 7.508 18 H MET 3 H MET 3 -1.911 7.881 5.096 19 HA MET 3 HA MET 3 -4.465 6.568 4.403 20 HB2 MET 3 2HB MET 3 -3.391 7.623 2.439 21 HB3 MET 3 3HB MET 3 -1.958 6.643 2.712 22 HG2 MET 3 2HG MET 3 -3.134 4.639 2.203 23 HG3 MET 3 3HG MET 3 -4.681 5.484 2.190 24 HE1 MET 3 3HE MET 3 -4.349 4.577 -1.570 25 HE2 MET 3 1HE MET 3 -5.392 4.566 -0.148 26 HE3 MET 3 2HE MET 3 -3.927 3.585 -0.175 27 H ASP 4 H ASP 4 -4.701 4.595 5.189 28 HA ASP 4 HA ASP 4 -2.350 3.064 6.097 29 HB2 ASP 4 2HB ASP 4 -3.883 3.524 7.883 30 HB3 ASP 4 3HB ASP 4 -5.265 3.034 6.914 31 H ILE 5 H ILE 5 -1.715 1.478 4.746 32 HA ILE 5 HA ILE 5 -3.746 0.056 3.122 33 HB ILE 5 HB ILE 5 -0.858 0.562 2.348 34 HG12 ILE 5 2HG1 ILE 5 -3.382 1.865 1.279 35 HG13 ILE 5 3HG1 ILE 5 -2.192 2.646 2.314 36 HG21 ILE 5 1HG2 ILE 5 -3.147 -0.634 0.773 37 HG22 ILE 5 2HG2 ILE 5 -1.763 -1.512 1.425 38 HG23 ILE 5 3HG2 ILE 5 -1.527 -0.314 0.152 39 HD11 ILE 5 3HD1 ILE 5 -1.881 3.327 0.031 40 HD12 ILE 5 1HD1 ILE 5 -1.744 1.648 -0.490 41 HD13 ILE 5 2HD1 ILE 5 -0.504 2.353 0.548 42 H ARG 6 H ARG 6 -3.621 -2.183 3.042 43 HA ARG 6 HA ARG 6 -1.347 -3.546 4.291 44 HB2 ARG 6 2HB ARG 6 -4.184 -3.638 5.274 45 HB3 ARG 6 3HB ARG 6 -3.123 -5.019 5.511 46 HG2 ARG 6 2HG ARG 6 -1.687 -3.837 6.923 47 HG3 ARG 6 3HG ARG 6 -2.287 -2.271 6.381 48 HD2 ARG 6 2HD ARG 6 -4.004 -4.243 7.877 49 HD3 ARG 6 3HD ARG 6 -3.014 -3.030 8.690 50 HE ARG 6 HE ARG 6 -4.322 -1.326 7.556 51 HH11 ARG 6 1HH1 ARG 6 -5.632 -4.516 7.519 52 HH12 ARG 6 2HH1 ARG 6 -7.250 -3.955 7.310 53 HH21 ARG 6 1HH2 ARG 6 -6.360 -0.624 7.285 54 HH22 ARG 6 2HH2 ARG 6 -7.668 -1.756 7.192 55 H PHE 7 H PHE 7 -0.699 -5.178 3.049 56 HA PHE 7 HA PHE 7 -2.579 -6.357 1.102 57 HB2 PHE 7 2HB PHE 7 0.448 -6.313 1.189 58 HB3 PHE 7 3HB PHE 7 -0.476 -7.236 0.011 59 HD1 PHE 7 HD1 PHE 7 -1.740 -6.106 -1.745 60 HD2 PHE 7 HD2 PHE 7 0.644 -3.911 1.024 61 HE1 PHE 7 HE1 PHE 7 -1.818 -4.149 -3.231 62 HE2 PHE 7 HE2 PHE 7 0.563 -1.950 -0.461 63 HZ PHE 7 HZ PHE 7 -0.666 -2.070 -2.590 64 H ARG 8 H ARG 8 -3.334 -8.359 1.439 65 HA ARG 8 HA ARG 8 -1.906 -10.149 3.292 66 HB2 ARG 8 2HB ARG 8 -4.168 -9.839 3.984 67 HB3 ARG 8 3HB ARG 8 -4.777 -10.054 2.350 68 HG2 ARG 8 2HG ARG 8 -5.302 -12.007 3.626 69 HG3 ARG 8 3HG ARG 8 -4.068 -12.432 2.442 70 HD2 ARG 8 2HD ARG 8 -2.376 -12.041 4.328 71 HD3 ARG 8 3HD ARG 8 -3.767 -12.053 5.414 72 HE ARG 8 HE ARG 8 -3.346 -14.321 3.610 73 HH11 ARG 8 1HH1 ARG 8 -3.452 -13.107 6.846 74 HH12 ARG 8 2HH1 ARG 8 -3.373 -14.692 7.531 75 HH21 ARG 8 1HH2 ARG 8 -3.235 -16.306 4.511 76 HH22 ARG 8 2HH2 ARG 8 -3.236 -16.478 6.235 77 H GLY 9 H GLY 9 -0.681 -11.691 2.403 78 HA2 GLY 9 2HA GLY 9 -1.598 -13.383 0.295 79 HA3 GLY 9 3HA GLY 9 -0.405 -12.238 -0.296 80 H ASP 10 H ASP 10 -0.350 -15.215 0.021 81 HA ASP 10 HA ASP 10 1.808 -15.566 1.959 82 HB2 ASP 10 2HB ASP 10 1.573 -17.988 1.411 83 HB3 ASP 10 3HB ASP 10 0.086 -17.252 1.999 84 H ASP 11 H ASP 11 1.732 -14.482 -1.103 85 HA ASP 11 HA ASP 11 3.889 -15.986 -2.274 86 HB2 ASP 11 2HB ASP 11 2.446 -13.457 -3.055 87 HB3 ASP 11 3HB ASP 11 3.871 -14.006 -3.932 88 H LEU 12 H LEU 12 6.030 -15.581 -2.250 89 HA LEU 12 HA LEU 12 7.101 -13.818 -0.281 90 HB2 LEU 12 2HB LEU 12 8.136 -15.973 -0.849 91 HB3 LEU 12 3HB LEU 12 8.494 -15.382 -2.459 92 HG LEU 12 HG LEU 12 10.010 -13.680 -1.482 93 HD11 LEU 12 1HD1 LEU 12 9.417 -15.081 1.125 94 HD12 LEU 12 2HD1 LEU 12 8.978 -13.424 0.701 95 HD13 LEU 12 3HD1 LEU 12 10.675 -13.870 0.873 96 HD21 LEU 12 3HD2 LEU 12 10.899 -15.826 -2.256 97 HD22 LEU 12 1HD2 LEU 12 10.630 -16.522 -0.656 98 HD23 LEU 12 2HD2 LEU 12 11.805 -15.224 -0.869 99 H GLU 13 H GLU 13 7.388 -13.839 -3.862 100 HA GLU 13 HA GLU 13 8.819 -11.453 -4.117 101 HB2 GLU 13 2HB GLU 13 8.493 -13.067 -5.959 102 HB3 GLU 13 3HB GLU 13 6.803 -12.594 -6.068 103 HG2 GLU 13 2HG GLU 13 7.522 -10.291 -6.633 104 HG3 GLU 13 3HG GLU 13 9.196 -10.838 -6.609 105 H ALA 14 H ALA 14 5.387 -11.962 -3.642 106 HA ALA 14 HA ALA 14 4.338 -9.515 -4.440 107 HB1 ALA 14 3HB ALA 14 3.428 -11.185 -2.094 108 HB2 ALA 14 1HB ALA 14 2.967 -11.440 -3.778 109 HB3 ALA 14 2HB ALA 14 2.476 -9.967 -2.943 110 H PHE 15 H PHE 15 5.848 -10.378 -1.341 111 HA PHE 15 HA PHE 15 5.394 -8.012 0.068 112 HB2 PHE 15 2HB PHE 15 6.307 -9.876 1.245 113 HB3 PHE 15 3HB PHE 15 7.682 -9.990 0.153 114 HD1 PHE 15 HD2 PHE 15 6.122 -7.675 2.632 115 HD2 PHE 15 HD1 PHE 15 9.707 -9.027 0.766 116 HE1 PHE 15 HE2 PHE 15 7.447 -6.273 4.157 117 HE2 PHE 15 HE1 PHE 15 11.033 -7.624 2.290 118 HZ PHE 15 HZ PHE 15 9.905 -6.246 3.989 119 H GLU 16 H GLU 16 8.229 -8.852 -1.940 120 HA GLU 16 HA GLU 16 9.539 -6.371 -1.639 121 HB2 GLU 16 2HB GLU 16 9.803 -8.487 -3.785 122 HB3 GLU 16 3HB GLU 16 10.888 -7.113 -3.616 123 HG2 GLU 16 2HG GLU 16 11.509 -7.894 -1.371 124 HG3 GLU 16 3HG GLU 16 10.445 -9.283 -1.574 125 H LYS 17 H LYS 17 7.521 -7.609 -4.323 126 HA LYS 17 HA LYS 17 7.760 -5.328 -5.954 127 HB2 LYS 17 2HB LYS 17 5.690 -7.513 -5.825 128 HB3 LYS 17 3HB LYS 17 5.575 -6.201 -6.990 129 HG2 LYS 17 2HG LYS 17 7.855 -8.167 -6.754 130 HG3 LYS 17 3HG LYS 17 6.591 -8.175 -7.986 131 HD2 LYS 17 2HD LYS 17 7.355 -5.874 -8.656 132 HD3 LYS 17 3HD LYS 17 8.720 -6.073 -7.561 133 HE2 LYS 17 2HE LYS 17 9.431 -8.057 -8.832 134 HE3 LYS 17 3HE LYS 17 8.083 -7.813 -9.945 135 HZ1 LYS 17 3HZ LYS 17 10.391 -5.996 -9.509 136 HZ2 LYS 17 1HZ LYS 17 9.039 -5.592 -10.443 137 HZ3 LYS 17 2HZ LYS 17 10.035 -6.876 -10.906 138 H ALA 18 H ALA 18 5.059 -6.217 -3.760 139 HA ALA 18 HA ALA 18 3.485 -3.963 -4.272 140 HB1 ALA 18 3HB ALA 18 2.298 -4.492 -2.218 141 HB2 ALA 18 1HB ALA 18 3.619 -5.544 -1.705 142 HB3 ALA 18 2HB ALA 18 2.657 -5.961 -3.123 143 H LEU 19 H LEU 19 5.866 -4.464 -1.653 144 HA LEU 19 HA LEU 19 5.561 -1.917 -0.477 145 HB2 LEU 19 2HB LEU 19 6.642 -3.832 0.640 146 HB3 LEU 19 3HB LEU 19 7.979 -3.731 -0.490 147 HG LEU 19 HG LEU 19 8.545 -1.488 0.400 148 HD11 LEU 19 1HD1 LEU 19 6.343 -0.797 1.166 149 HD12 LEU 19 2HD1 LEU 19 7.510 -0.715 2.484 150 HD13 LEU 19 3HD1 LEU 19 6.361 -2.051 2.408 151 HD21 LEU 19 3HD2 LEU 19 8.393 -3.673 2.483 152 HD22 LEU 19 1HD2 LEU 19 9.444 -2.257 2.546 153 HD23 LEU 19 2HD2 LEU 19 9.670 -3.466 1.282 154 H LYS 20 H LYS 20 7.813 -3.094 -2.970 155 HA LYS 20 HA LYS 20 9.412 -0.785 -3.131 156 HB2 LYS 20 2HB LYS 20 9.966 -3.061 -4.049 157 HB3 LYS 20 3HB LYS 20 8.851 -2.741 -5.369 158 HG2 LYS 20 2HG LYS 20 11.110 -2.327 -6.096 159 HG3 LYS 20 3HG LYS 20 10.229 -0.798 -6.032 160 HD2 LYS 20 2HD LYS 20 11.274 -0.274 -3.883 161 HD3 LYS 20 3HD LYS 20 12.114 -1.827 -3.897 162 HE2 LYS 20 2HE LYS 20 12.478 0.385 -5.925 163 HE3 LYS 20 3HE LYS 20 13.577 0.029 -4.594 164 HZ1 LYS 20 3HZ LYS 20 12.937 -1.787 -6.856 165 HZ2 LYS 20 1HZ LYS 20 13.965 -2.163 -5.568 166 HZ3 LYS 20 2HZ LYS 20 14.374 -0.929 -6.648 167 H GLU 21 H GLU 21 6.565 -1.739 -5.068 168 HA GLU 21 HA GLU 21 6.608 0.507 -6.782 169 HB2 GLU 21 2HB GLU 21 4.254 -1.214 -5.979 170 HB3 GLU 21 3HB GLU 21 4.284 -0.103 -7.339 171 HG2 GLU 21 2HG GLU 21 5.935 -2.603 -7.006 172 HG3 GLU 21 3HG GLU 21 4.597 -2.354 -8.125 173 H MET 22 H MET 22 4.777 -0.088 -3.770 174 HA MET 22 HA MET 22 3.376 2.323 -3.630 175 HB2 MET 22 2HB MET 22 4.520 0.611 -1.411 176 HB3 MET 22 3HB MET 22 3.443 1.967 -1.123 177 HG2 MET 22 2HG MET 22 2.532 -0.154 -2.999 178 HG3 MET 22 3HG MET 22 2.571 -0.524 -1.279 179 HE1 MET 22 3HE MET 22 0.905 1.598 -4.123 180 HE2 MET 22 1HE MET 22 1.691 2.873 -3.193 181 HE3 MET 22 2HE MET 22 -0.067 2.752 -3.209 182 H ILE 23 H ILE 23 6.589 1.567 -2.260 183 HA ILE 23 HA ILE 23 7.161 4.157 -1.302 184 HB ILE 23 HB ILE 23 9.057 1.963 -2.181 185 HG12 ILE 23 2HG1 ILE 23 8.033 2.773 0.561 186 HG13 ILE 23 3HG1 ILE 23 7.576 1.323 -0.327 187 HG21 ILE 23 1HG2 ILE 23 9.634 4.462 -0.579 188 HG22 ILE 23 2HG2 ILE 23 10.216 4.102 -2.205 189 HG23 ILE 23 3HG2 ILE 23 10.764 3.131 -0.841 190 HD11 ILE 23 3HD1 ILE 23 10.325 1.954 0.724 191 HD12 ILE 23 1HD1 ILE 23 9.867 0.498 -0.161 192 HD13 ILE 23 2HD1 ILE 23 9.171 0.822 1.427 193 H ARG 24 H ARG 24 7.829 2.635 -4.453 194 HA ARG 24 HA ARG 24 9.517 4.478 -5.611 195 HB2 ARG 24 2HB ARG 24 8.740 2.346 -6.678 196 HB3 ARG 24 3HB ARG 24 7.212 3.138 -7.053 197 HG2 ARG 24 2HG ARG 24 8.834 4.918 -8.182 198 HG3 ARG 24 3HG ARG 24 9.910 3.525 -8.257 199 HD2 ARG 24 2HD ARG 24 7.123 3.698 -9.412 200 HD3 ARG 24 3HD ARG 24 8.629 3.767 -10.320 201 HE ARG 24 HE ARG 24 7.475 1.400 -9.033 202 HH11 ARG 24 1HH1 ARG 24 9.952 2.781 -10.995 203 HH12 ARG 24 2HH1 ARG 24 10.354 1.268 -11.730 204 HH21 ARG 24 1HH2 ARG 24 7.987 -0.525 -10.000 205 HH22 ARG 24 2HH2 ARG 24 9.245 -0.580 -11.194 206 H GLN 25 H GLN 25 5.964 4.587 -5.571 207 HA GLN 25 HA GLN 25 5.737 7.029 -7.008 208 HB2 GLN 25 2HB GLN 25 3.751 5.735 -5.117 209 HB3 GLN 25 3HB GLN 25 3.385 7.001 -6.282 210 HG2 GLN 25 2HG GLN 25 4.334 4.214 -6.942 211 HG3 GLN 25 3HG GLN 25 2.679 4.803 -7.076 212 HE21 GLN 25 1HE2 GLN 25 4.445 3.708 -9.120 213 HE22 GLN 25 2HE2 GLN 25 4.570 4.920 -10.342 214 H ALA 26 H ALA 26 5.672 6.291 -3.522 215 HA ALA 26 HA ALA 26 5.004 8.933 -2.706 216 HB1 ALA 26 3HB ALA 26 5.438 8.154 -0.454 217 HB2 ALA 26 1HB ALA 26 6.259 6.725 -1.083 218 HB3 ALA 26 2HB ALA 26 4.531 6.941 -1.357 219 H ARG 27 H ARG 27 8.050 7.483 -3.525 220 HA ARG 27 HA ARG 27 9.835 8.962 -1.978 221 HB2 ARG 27 2HB ARG 27 10.102 7.769 -4.734 222 HB3 ARG 27 3HB ARG 27 11.447 8.577 -3.936 223 HG2 ARG 27 2HG ARG 27 11.431 6.984 -2.146 224 HG3 ARG 27 3HG ARG 27 9.944 6.252 -2.744 225 HD2 ARG 27 2HD ARG 27 11.841 4.861 -3.313 226 HD3 ARG 27 3HD ARG 27 11.138 5.539 -4.779 227 HE ARG 27 HE ARG 27 13.005 7.103 -4.832 228 HH11 ARG 27 1HH1 ARG 27 13.345 4.403 -2.725 229 HH12 ARG 27 2HH1 ARG 27 15.068 4.415 -2.808 230 HH21 ARG 27 1HH2 ARG 27 15.210 7.106 -4.943 231 HH22 ARG 27 2HH2 ARG 27 16.112 5.918 -4.071 232 H LYS 28 H LYS 28 8.041 9.996 -4.800 233 HA LYS 28 HA LYS 28 9.641 12.327 -5.310 234 HB2 LYS 28 2HB LYS 28 6.854 11.576 -6.223 235 HB3 LYS 28 3HB LYS 28 7.675 13.046 -6.722 236 HG2 LYS 28 2HG LYS 28 7.969 11.518 -8.477 237 HG3 LYS 28 3HG LYS 28 9.514 11.573 -7.632 238 HD2 LYS 28 2HD LYS 28 8.948 9.493 -6.458 239 HD3 LYS 28 3HD LYS 28 7.393 9.441 -7.293 240 HE2 LYS 28 2HE LYS 28 10.125 9.284 -8.575 241 HE3 LYS 28 3HE LYS 28 8.989 7.952 -8.364 242 HZ1 LYS 28 3HZ LYS 28 8.878 8.804 -10.598 243 HZ2 LYS 28 1HZ LYS 28 8.561 10.367 -10.036 244 HZ3 LYS 28 2HZ LYS 28 7.426 9.141 -9.799 245 H PHE 29 H PHE 29 7.204 11.598 -3.012 246 HA PHE 29 HA PHE 29 6.500 14.445 -2.656 247 HB2 PHE 29 2HB PHE 29 5.041 11.967 -1.701 248 HB3 PHE 29 3HB PHE 29 4.495 13.626 -1.476 249 HD1 PHE 29 HD1 PHE 29 3.699 14.942 -3.400 250 HD2 PHE 29 HD2 PHE 29 4.794 10.844 -3.803 251 HE1 PHE 29 HE1 PHE 29 2.527 14.841 -5.560 252 HE2 PHE 29 HE2 PHE 29 3.622 10.740 -5.963 253 HZ PHE 29 HZ PHE 29 2.488 12.739 -6.846 254 H ALA 30 H ALA 30 5.771 14.862 -0.266 255 HA ALA 30 HA ALA 30 8.027 14.238 1.481 256 HB1 ALA 30 3HB ALA 30 7.083 15.952 2.954 257 HB2 ALA 30 1HB ALA 30 5.669 16.084 1.908 258 HB3 ALA 30 2HB ALA 30 7.259 16.557 1.307 259 H GLY 31 H GLY 31 6.041 12.161 0.799 260 HA2 GLY 31 2HA GLY 31 4.563 11.724 3.286 261 HA3 GLY 31 3HA GLY 31 4.409 10.796 1.804 262 H THR 32 H THR 32 5.221 10.402 4.868 263 HA THR 32 HA THR 32 7.636 8.805 4.515 264 HB THR 32 HB THR 32 5.954 9.285 6.993 265 HG1 THR 32 HG1 THR 32 7.059 11.155 6.355 266 HG21 THR 32 3HG2 THR 32 7.131 7.154 7.165 267 HG22 THR 32 1HG2 THR 32 7.887 8.347 8.222 268 HG23 THR 32 2HG2 THR 32 8.642 7.926 6.685 269 H VAL 33 H VAL 33 7.515 6.777 3.832 270 HA VAL 33 HA VAL 33 5.050 5.227 4.281 271 HB VAL 33 HB VAL 33 7.329 4.709 2.350 272 HG11 VAL 33 1HG1 VAL 33 5.862 2.988 1.383 273 HG12 VAL 33 2HG1 VAL 33 4.676 3.280 2.656 274 HG13 VAL 33 3HG1 VAL 33 6.263 2.622 3.061 275 HG21 VAL 33 3HG2 VAL 33 6.027 6.666 1.724 276 HG22 VAL 33 1HG2 VAL 33 4.530 5.743 1.869 277 HG23 VAL 33 2HG2 VAL 33 5.701 5.336 0.614 278 H THR 34 H THR 34 5.146 4.062 6.103 279 HA THR 34 HA THR 34 7.626 2.561 6.704 280 HB THR 34 HB THR 34 7.015 4.021 8.545 281 HG1 THR 34 HG1 THR 34 6.547 2.228 10.144 282 HG21 THR 34 3HG2 THR 34 4.893 3.741 9.767 283 HG22 THR 34 1HG2 THR 34 4.352 2.580 8.555 284 HG23 THR 34 2HG2 THR 34 4.619 4.264 8.104 285 H TYR 35 H TYR 35 7.349 0.359 7.555 286 HA TYR 35 HA TYR 35 4.859 -0.952 6.735 287 HB2 TYR 35 2HB TYR 35 6.109 -2.672 5.455 288 HB3 TYR 35 3HB TYR 35 6.226 -1.068 4.741 289 HD1 TYR 35 HD2 TYR 35 8.356 0.267 5.111 290 HD2 TYR 35 HD1 TYR 35 8.065 -3.877 6.071 291 HE1 TYR 35 HE2 TYR 35 10.804 0.098 5.119 292 HE2 TYR 35 HE1 TYR 35 10.517 -4.050 6.083 293 HH TYR 35 HH TYR 35 12.538 -1.320 6.103 294 H THR 36 H THR 36 4.250 -2.556 8.038 295 HA THR 36 HA THR 36 6.252 -3.873 9.765 296 HB THR 36 HB THR 36 4.443 -4.049 11.530 297 HG1 THR 36 HG1 THR 36 2.539 -3.509 10.694 298 HG21 THR 36 3HG2 THR 36 6.254 -2.420 11.768 299 HG22 THR 36 1HG2 THR 36 4.739 -1.750 12.376 300 HG23 THR 36 2HG2 THR 36 5.352 -1.255 10.798 301 H LEU 37 H LEU 37 6.169 -6.063 9.763 302 HA LEU 37 HA LEU 37 4.216 -7.305 7.976 303 HB2 LEU 37 2HB LEU 37 6.838 -8.208 9.139 304 HB3 LEU 37 3HB LEU 37 5.743 -9.359 8.402 305 HG LEU 37 HG LEU 37 7.485 -8.679 6.837 306 HD11 LEU 37 1HD1 LEU 37 4.762 -7.624 6.081 307 HD12 LEU 37 2HD1 LEU 37 5.317 -9.293 5.941 308 HD13 LEU 37 3HD1 LEU 37 6.060 -8.033 4.958 309 HD21 LEU 37 3HD2 LEU 37 6.370 -5.882 7.100 310 HD22 LEU 37 1HD2 LEU 37 7.636 -6.402 5.986 311 HD23 LEU 37 2HD2 LEU 37 7.927 -6.431 7.725 312 H ASP 38 H ASP 38 2.410 -8.173 8.781 313 HA ASP 38 HA ASP 38 2.570 -9.585 11.373 314 HB2 ASP 38 2HB ASP 38 0.909 -7.734 11.306 315 HB3 ASP 38 3HB ASP 38 0.091 -8.537 9.968 316 H GLY 39 H GLY 39 3.381 -11.526 10.540 317 HA2 GLY 39 2HA GLY 39 3.300 -13.612 9.587 318 HA3 GLY 39 3HA GLY 39 1.554 -13.445 9.630 319 H ASN 40 H ASN 40 0.456 -13.066 7.746 320 HA ASN 40 HA ASN 40 2.074 -13.013 5.275 321 HB2 ASN 40 2HB ASN 40 -0.724 -14.074 5.742 322 HB3 ASN 40 3HB ASN 40 0.105 -14.062 4.189 323 HD21 ASN 40 1HD2 ASN 40 1.834 -15.457 3.866 324 HD22 ASN 40 2HD2 ASN 40 2.108 -16.827 4.881 325 H ASP 41 H ASP 41 0.727 -10.796 7.066 326 HA ASP 41 HA ASP 41 -0.473 -9.327 4.799 327 HB2 ASP 41 2HB ASP 41 -2.076 -9.877 6.632 328 HB3 ASP 41 3HB ASP 41 -1.075 -8.957 7.749 329 H LEU 42 H LEU 42 0.712 -7.676 4.114 330 HA LEU 42 HA LEU 42 2.842 -6.567 5.788 331 HB2 LEU 42 2HB LEU 42 3.531 -7.223 3.592 332 HB3 LEU 42 3HB LEU 42 2.204 -6.353 2.845 333 HG LEU 42 HG LEU 42 3.238 -4.211 3.482 334 HD11 LEU 42 1HD1 LEU 42 5.488 -4.132 4.409 335 HD12 LEU 42 2HD1 LEU 42 5.507 -5.888 4.552 336 HD13 LEU 42 3HD1 LEU 42 4.380 -4.936 5.520 337 HD21 LEU 42 3HD2 LEU 42 5.159 -4.313 1.960 338 HD22 LEU 42 1HD2 LEU 42 3.760 -5.164 1.306 339 HD23 LEU 42 2HD2 LEU 42 5.100 -6.076 2.003 340 H GLU 43 H GLU 43 2.175 -4.972 7.102 341 HA GLU 43 HA GLU 43 0.009 -3.194 6.346 342 HB2 GLU 43 2HB GLU 43 1.710 -3.100 8.846 343 HB3 GLU 43 3HB GLU 43 0.127 -2.372 8.609 344 HG2 GLU 43 2HG GLU 43 -0.855 -4.625 8.395 345 HG3 GLU 43 3HG GLU 43 0.733 -5.326 8.689 346 H ILE 44 H ILE 44 0.566 -1.686 4.878 347 HA ILE 44 HA ILE 44 3.068 -0.165 5.211 348 HB ILE 44 HB ILE 44 1.193 -0.306 2.833 349 HG12 ILE 44 2HG1 ILE 44 3.959 -1.492 3.231 350 HG13 ILE 44 3HG1 ILE 44 2.450 -2.400 3.226 351 HG21 ILE 44 1HG2 ILE 44 2.315 1.865 2.981 352 HG22 ILE 44 2HG2 ILE 44 2.925 0.929 1.618 353 HG23 ILE 44 3HG2 ILE 44 3.880 1.058 3.096 354 HD11 ILE 44 3HD1 ILE 44 2.089 -1.785 0.891 355 HD12 ILE 44 1HD1 ILE 44 3.625 -2.622 1.117 356 HD13 ILE 44 2HD1 ILE 44 3.600 -0.873 0.899 357 H ARG 45 H ARG 45 2.846 1.685 6.324 358 HA ARG 45 HA ARG 45 0.295 3.160 6.146 359 HB2 ARG 45 2HB ARG 45 1.019 2.306 8.394 360 HB3 ARG 45 3HB ARG 45 2.406 3.382 8.301 361 HG2 ARG 45 2HG ARG 45 0.930 5.317 8.233 362 HG3 ARG 45 3HG ARG 45 -0.482 4.257 8.246 363 HD2 ARG 45 2HD ARG 45 0.341 3.358 10.453 364 HD3 ARG 45 3HD ARG 45 1.555 4.642 10.441 365 HE ARG 45 HE ARG 45 -0.930 5.832 10.045 366 HH11 ARG 45 1HH1 ARG 45 0.732 4.113 12.520 367 HH12 ARG 45 2HH1 ARG 45 -0.183 4.848 13.785 368 HH21 ARG 45 1HH2 ARG 45 -2.082 6.763 11.652 369 HH22 ARG 45 2HH2 ARG 45 -1.780 6.333 13.302 370 H ILE 46 H ILE 46 0.302 4.986 5.009 371 HA ILE 46 HA ILE 46 2.864 6.381 4.514 372 HB ILE 46 HB ILE 46 0.338 6.484 2.838 373 HG12 ILE 46 2HG1 ILE 46 2.920 4.970 2.329 374 HG13 ILE 46 3HG1 ILE 46 1.390 4.237 2.797 375 HG21 ILE 46 1HG2 ILE 46 1.767 7.561 1.160 376 HG22 ILE 46 2HG2 ILE 46 3.127 7.510 2.281 377 HG23 ILE 46 3HG2 ILE 46 1.714 8.496 2.655 378 HD11 ILE 46 3HD1 ILE 46 0.389 5.027 0.701 379 HD12 ILE 46 1HD1 ILE 46 1.779 3.977 0.426 380 HD13 ILE 46 2HD1 ILE 46 1.942 5.723 0.234 381 H THR 47 H THR 47 3.075 8.167 5.732 382 HA THR 47 HA THR 47 0.658 9.685 6.513 383 HB THR 47 HB THR 47 3.408 9.710 7.792 384 HG1 THR 47 HG1 THR 47 1.108 8.745 9.090 385 HG21 THR 47 3HG2 THR 47 0.816 10.993 8.684 386 HG22 THR 47 1HG2 THR 47 2.251 11.842 8.105 387 HG23 THR 47 2HG2 THR 47 2.310 10.942 9.621 388 H GLY 48 H GLY 48 0.356 11.745 5.848 389 HA2 GLY 48 2HA GLY 48 0.899 13.925 5.261 390 HA3 GLY 48 3HA GLY 48 2.595 13.484 5.256 391 H VAL 49 H VAL 49 -0.348 12.690 3.357 392 HA VAL 49 HA VAL 49 1.148 13.401 0.918 393 HB VAL 49 HB VAL 49 -0.041 11.531 -0.290 394 HG11 VAL 49 1HG1 VAL 49 1.900 10.755 1.892 395 HG12 VAL 49 2HG1 VAL 49 2.317 11.373 0.295 396 HG13 VAL 49 3HG1 VAL 49 1.540 9.798 0.454 397 HG21 VAL 49 3HG2 VAL 49 -0.580 10.535 2.515 398 HG22 VAL 49 1HG2 VAL 49 -0.883 9.648 1.022 399 HG23 VAL 49 2HG2 VAL 49 -1.800 11.112 1.380 400 HA PRO 50 HA PRO 50 -2.327 16.010 -0.019 401 HB2 PRO 50 2HB PRO 50 -2.116 15.917 -2.796 402 HB3 PRO 50 3HB PRO 50 -1.215 17.008 -1.738 403 HG2 PRO 50 2HG PRO 50 -0.362 14.418 -2.962 404 HG3 PRO 50 3HG PRO 50 0.568 15.909 -2.730 405 HD2 PRO 50 2HD PRO 50 0.898 13.778 -1.128 406 HD3 PRO 50 3HD PRO 50 0.997 15.435 -0.492 407 H GLU 51 H GLU 51 -4.450 15.677 -0.226 408 HA GLU 51 HA GLU 51 -5.553 13.148 -0.231 409 HB2 GLU 51 2HB GLU 51 -7.731 14.246 -0.415 410 HB3 GLU 51 3HB GLU 51 -6.671 15.123 0.682 411 HG2 GLU 51 2HG GLU 51 -6.181 16.740 -1.103 412 HG3 GLU 51 3HG GLU 51 -7.278 15.873 -2.177 413 H GLN 52 H GLN 52 -5.117 15.291 -3.024 414 HA GLN 52 HA GLN 52 -6.801 13.835 -4.785 415 HB2 GLN 52 2HB GLN 52 -5.786 15.119 -6.579 416 HB3 GLN 52 3HB GLN 52 -6.132 16.161 -5.208 417 HG2 GLN 52 2HG GLN 52 -3.777 16.093 -4.551 418 HG3 GLN 52 3HG GLN 52 -3.428 15.033 -5.918 419 HE21 GLN 52 1HE2 GLN 52 -2.346 17.660 -5.332 420 HE22 GLN 52 2HE2 GLN 52 -2.732 18.647 -6.693 421 H VAL 53 H VAL 53 -3.390 13.489 -3.959 422 HA VAL 53 HA VAL 53 -2.784 11.650 -6.089 423 HB VAL 53 HB VAL 53 -1.251 12.209 -3.534 424 HG11 VAL 53 1HG1 VAL 53 0.690 11.265 -4.730 425 HG12 VAL 53 2HG1 VAL 53 -0.363 10.831 -6.077 426 HG13 VAL 53 3HG1 VAL 53 -0.588 10.070 -4.501 427 HG21 VAL 53 3HG2 VAL 53 -0.916 13.366 -6.310 428 HG22 VAL 53 1HG2 VAL 53 0.147 13.667 -4.935 429 HG23 VAL 53 2HG2 VAL 53 -1.527 14.219 -4.891 430 H ARG 54 H ARG 54 -4.222 11.381 -2.990 431 HA ARG 54 HA ARG 54 -3.660 8.831 -2.131 432 HB2 ARG 54 2HB ARG 54 -5.022 10.342 -0.842 433 HB3 ARG 54 3HB ARG 54 -6.272 10.349 -2.078 434 HG2 ARG 54 2HG ARG 54 -6.770 8.003 -1.602 435 HG3 ARG 54 3HG ARG 54 -5.489 7.973 -0.385 436 HD2 ARG 54 2HD ARG 54 -7.733 8.271 0.604 437 HD3 ARG 54 3HD ARG 54 -6.653 9.625 0.941 438 HE ARG 54 HE ARG 54 -8.377 9.961 -1.364 439 HH11 ARG 54 1HH1 ARG 54 -7.945 10.521 2.005 440 HH12 ARG 54 2HH1 ARG 54 -9.141 11.764 2.065 441 HH21 ARG 54 1HH2 ARG 54 -9.893 11.581 -1.284 442 HH22 ARG 54 2HH2 ARG 54 -10.219 12.367 0.220 443 H LYS 55 H LYS 55 -5.868 9.785 -4.736 444 HA LYS 55 HA LYS 55 -7.063 7.278 -5.195 445 HB2 LYS 55 2HB LYS 55 -6.513 9.559 -7.107 446 HB3 LYS 55 3HB LYS 55 -7.506 8.162 -7.505 447 HG2 LYS 55 2HG LYS 55 -8.060 10.190 -5.342 448 HG3 LYS 55 3HG LYS 55 -8.891 10.050 -6.893 449 HD2 LYS 55 2HD LYS 55 -9.619 7.757 -6.232 450 HD3 LYS 55 3HD LYS 55 -8.897 8.029 -4.643 451 HE2 LYS 55 2HE LYS 55 -11.273 8.451 -4.533 452 HE3 LYS 55 3HE LYS 55 -10.401 9.969 -4.330 453 HZ1 LYS 55 3HZ LYS 55 -11.618 9.035 -6.875 454 HZ2 LYS 55 1HZ LYS 55 -10.865 10.528 -6.617 455 HZ3 LYS 55 2HZ LYS 55 -12.317 10.160 -5.829 456 H GLU 56 H GLU 56 -4.098 8.708 -6.572 457 HA GLU 56 HA GLU 56 -3.487 6.562 -8.314 458 HB2 GLU 56 2HB GLU 56 -1.679 8.607 -7.004 459 HB3 GLU 56 3HB GLU 56 -1.151 7.482 -8.250 460 HG2 GLU 56 2HG GLU 56 -3.262 9.616 -8.549 461 HG3 GLU 56 3HG GLU 56 -1.625 9.663 -9.201 462 H LEU 57 H LEU 57 -2.501 7.242 -4.968 463 HA LEU 57 HA LEU 57 -0.818 5.013 -4.607 464 HB2 LEU 57 2HB LEU 57 -2.522 6.436 -2.551 465 HB3 LEU 57 3HB LEU 57 -1.182 5.361 -2.194 466 HG LEU 57 HG LEU 57 -0.970 8.027 -3.617 467 HD11 LEU 57 1HD1 LEU 57 -1.473 8.273 -1.241 468 HD12 LEU 57 2HD1 LEU 57 0.179 8.778 -1.592 469 HD13 LEU 57 3HD1 LEU 57 -0.122 7.214 -0.833 470 HD21 LEU 57 3HD2 LEU 57 1.451 7.710 -3.453 471 HD22 LEU 57 1HD2 LEU 57 0.710 6.433 -4.415 472 HD23 LEU 57 2HD2 LEU 57 1.205 6.109 -2.754 473 H ALA 58 H ALA 58 -4.311 5.401 -4.079 474 HA ALA 58 HA ALA 58 -4.760 2.801 -3.027 475 HB1 ALA 58 3HB ALA 58 -6.325 4.665 -2.694 476 HB2 ALA 58 1HB ALA 58 -7.125 3.255 -3.389 477 HB3 ALA 58 2HB ALA 58 -6.722 4.636 -4.412 478 H LYS 59 H LYS 59 -5.093 4.136 -6.315 479 HA LYS 59 HA LYS 59 -6.060 1.756 -7.493 480 HB2 LYS 59 2HB LYS 59 -6.293 4.017 -8.490 481 HB3 LYS 59 3HB LYS 59 -4.567 4.022 -8.831 482 HG2 LYS 59 2HG LYS 59 -4.763 2.312 -10.441 483 HG3 LYS 59 3HG LYS 59 -6.385 1.875 -9.901 484 HD2 LYS 59 2HD LYS 59 -5.606 4.459 -11.268 485 HD3 LYS 59 3HD LYS 59 -6.451 3.104 -12.018 486 HE2 LYS 59 2HE LYS 59 -7.456 4.852 -9.771 487 HE3 LYS 59 3HE LYS 59 -8.053 4.809 -11.429 488 HZ1 LYS 59 3HZ LYS 59 -8.714 2.474 -11.032 489 HZ2 LYS 59 1HZ LYS 59 -9.526 3.574 -10.036 490 HZ3 LYS 59 2HZ LYS 59 -8.264 2.640 -9.408 491 H GLU 60 H GLU 60 -2.795 2.978 -6.964 492 HA GLU 60 HA GLU 60 -1.355 1.004 -8.351 493 HB2 GLU 60 2HB GLU 60 -0.409 3.085 -7.274 494 HB3 GLU 60 3HB GLU 60 -0.572 2.289 -5.717 495 HG2 GLU 60 2HG GLU 60 1.699 2.102 -6.426 496 HG3 GLU 60 3HG GLU 60 0.959 0.505 -6.529 497 H ALA 61 H ALA 61 -2.582 1.079 -5.006 498 HA ALA 61 HA ALA 61 -1.737 -1.484 -4.210 499 HB1 ALA 61 3HB ALA 61 -2.547 0.246 -2.656 500 HB2 ALA 61 1HB ALA 61 -3.376 -1.296 -2.425 501 HB3 ALA 61 2HB ALA 61 -4.185 0.022 -3.273 502 H GLU 62 H GLU 62 -4.772 -0.434 -5.767 503 HA GLU 62 HA GLU 62 -6.129 -2.871 -5.856 504 HB2 GLU 62 2HB GLU 62 -6.079 -0.728 -8.007 505 HB3 GLU 62 3HB GLU 62 -7.280 -2.003 -7.869 506 HG2 GLU 62 2HG GLU 62 -7.964 -1.064 -5.679 507 HG3 GLU 62 3HG GLU 62 -6.828 0.261 -5.928 508 H ARG 63 H ARG 63 -3.735 -1.544 -8.103 509 HA ARG 63 HA ARG 63 -3.755 -3.681 -9.954 510 HB2 ARG 63 2HB ARG 63 -2.847 -1.454 -10.475 511 HB3 ARG 63 3HB ARG 63 -1.547 -1.706 -9.318 512 HG2 ARG 63 2HG ARG 63 -0.755 -2.062 -11.582 513 HG3 ARG 63 3HG ARG 63 -0.702 -3.571 -10.666 514 HD2 ARG 63 2HD ARG 63 -2.831 -4.255 -11.705 515 HD3 ARG 63 3HD ARG 63 -2.842 -2.763 -12.644 516 HE ARG 63 HE ARG 63 -0.836 -4.904 -12.926 517 HH11 ARG 63 1HH1 ARG 63 -2.687 -2.317 -14.257 518 HH12 ARG 63 2HH1 ARG 63 -2.046 -2.542 -15.846 519 HH21 ARG 63 1HH2 ARG 63 -0.040 -5.190 -14.944 520 HH22 ARG 63 2HH2 ARG 63 -0.556 -4.155 -16.234 521 H LEU 64 H LEU 64 -1.550 -2.961 -7.246 522 HA LEU 64 HA LEU 64 0.188 -5.111 -7.483 523 HB2 LEU 64 2HB LEU 64 -0.787 -3.656 -5.026 524 HB3 LEU 64 3HB LEU 64 0.527 -4.819 -4.996 525 HG LEU 64 HG LEU 64 0.554 -2.305 -6.682 526 HD11 LEU 64 1HD1 LEU 64 0.503 -1.702 -4.320 527 HD12 LEU 64 2HD1 LEU 64 2.092 -1.383 -5.016 528 HD13 LEU 64 3HD1 LEU 64 1.843 -2.800 -3.995 529 HD21 LEU 64 3HD2 LEU 64 2.950 -2.778 -6.869 530 HD22 LEU 64 1HD2 LEU 64 1.979 -4.100 -7.518 531 HD23 LEU 64 2HD2 LEU 64 2.735 -4.257 -5.930 532 H ALA 65 H ALA 65 -2.872 -4.974 -5.667 533 HA ALA 65 HA ALA 65 -2.792 -7.583 -4.619 534 HB1 ALA 65 3HB ALA 65 -4.325 -5.868 -3.799 535 HB2 ALA 65 1HB ALA 65 -5.198 -7.328 -4.263 536 HB3 ALA 65 2HB ALA 65 -5.211 -5.918 -5.323 537 H LYS 66 H LYS 66 -4.561 -6.393 -7.501 538 HA LYS 66 HA LYS 66 -5.543 -8.908 -8.300 539 HB2 LYS 66 2HB LYS 66 -5.063 -6.388 -9.898 540 HB3 LYS 66 3HB LYS 66 -5.922 -7.790 -10.519 541 HG2 LYS 66 2HG LYS 66 -6.745 -6.091 -8.168 542 HG3 LYS 66 3HG LYS 66 -7.475 -6.085 -9.774 543 HD2 LYS 66 2HD LYS 66 -8.045 -8.510 -9.432 544 HD3 LYS 66 3HD LYS 66 -7.490 -8.343 -7.763 545 HE2 LYS 66 2HE LYS 66 -9.894 -8.103 -7.838 546 HE3 LYS 66 3HE LYS 66 -9.167 -6.548 -7.430 547 HZ1 LYS 66 3HZ LYS 66 -10.923 -6.298 -9.064 548 HZ2 LYS 66 1HZ LYS 66 -10.132 -7.355 -10.121 549 HZ3 LYS 66 2HZ LYS 66 -9.436 -5.863 -9.736 550 H GLU 67 H GLU 67 -2.521 -7.261 -9.073 551 HA GLU 67 HA GLU 67 -1.736 -8.798 -11.283 552 HB2 GLU 67 2HB GLU 67 -0.685 -6.639 -10.251 553 HB3 GLU 67 3HB GLU 67 0.269 -7.758 -9.290 554 HG2 GLU 67 2HG GLU 67 1.606 -7.211 -11.133 555 HG3 GLU 67 3HG GLU 67 0.980 -8.823 -11.476 556 H PHE 68 H PHE 68 -1.376 -9.401 -7.823 557 HA PHE 68 HA PHE 68 -0.216 -12.056 -8.394 558 HB2 PHE 68 2HB PHE 68 -0.350 -10.466 -5.820 559 HB3 PHE 68 3HB PHE 68 0.274 -12.108 -5.932 560 HD1 PHE 68 HD2 PHE 68 0.870 -8.594 -6.854 561 HD2 PHE 68 HD1 PHE 68 2.450 -12.553 -6.850 562 HE1 PHE 68 HE2 PHE 68 3.094 -7.703 -7.407 563 HE2 PHE 68 HE1 PHE 68 4.675 -11.663 -7.402 564 HZ PHE 68 HZ PHE 68 5.000 -9.241 -7.683 565 H ASN 69 H ASN 69 -3.176 -10.742 -8.037 566 HA ASN 69 HA ASN 69 -5.254 -11.449 -7.486 567 HB2 ASN 69 2HB ASN 69 -3.946 -14.180 -7.538 568 HB3 ASN 69 3HB ASN 69 -5.685 -13.905 -7.463 569 HD21 ASN 69 1HD2 ASN 69 -2.858 -13.791 -9.462 570 HD22 ASN 69 2HD2 ASN 69 -3.683 -13.509 -10.953 571 H ILE 70 H ILE 70 -3.210 -10.883 -5.341 572 HA ILE 70 HA ILE 70 -4.142 -12.482 -3.093 573 HB ILE 70 HB ILE 70 -2.587 -11.097 -1.738 574 HG12 ILE 70 2HG1 ILE 70 -1.890 -9.792 -4.388 575 HG13 ILE 70 3HG1 ILE 70 -2.745 -9.012 -3.062 576 HG21 ILE 70 1HG2 ILE 70 -0.513 -11.973 -2.708 577 HG22 ILE 70 2HG2 ILE 70 -1.358 -12.297 -4.222 578 HG23 ILE 70 3HG2 ILE 70 -1.806 -13.172 -2.755 579 HD11 ILE 70 3HD1 ILE 70 -0.762 -9.261 -1.646 580 HD12 ILE 70 1HD1 ILE 70 -0.419 -8.342 -3.111 581 HD13 ILE 70 2HD1 ILE 70 0.092 -10.024 -2.988 582 H THR 71 H THR 71 -4.565 -11.052 -1.004 583 HA THR 71 HA THR 71 -6.906 -9.418 -1.676 584 HB THR 71 HB THR 71 -6.030 -10.370 1.065 585 HG1 THR 71 HG1 THR 71 -7.706 -11.588 -0.893 586 HG21 THR 71 3HG2 THR 71 -7.619 -8.498 1.091 587 HG22 THR 71 1HG2 THR 71 -8.373 -9.982 1.675 588 HG23 THR 71 2HG2 THR 71 -8.710 -9.406 0.043 589 H VAL 72 H VAL 72 -7.202 -7.291 -0.937 590 HA VAL 72 HA VAL 72 -4.979 -6.028 0.517 591 HB VAL 72 HB VAL 72 -4.630 -5.546 -1.875 592 HG11 VAL 72 1HG1 VAL 72 -7.340 -4.210 -1.763 593 HG12 VAL 72 2HG1 VAL 72 -6.940 -5.677 -2.658 594 HG13 VAL 72 3HG1 VAL 72 -6.211 -4.137 -3.117 595 HG21 VAL 72 3HG2 VAL 72 -3.929 -3.901 -0.200 596 HG22 VAL 72 1HG2 VAL 72 -5.508 -3.122 -0.295 597 HG23 VAL 72 2HG2 VAL 72 -4.434 -3.113 -1.695 598 H THR 73 H THR 73 -5.574 -4.542 2.008 599 HA THR 73 HA THR 73 -8.319 -3.457 1.937 600 HB THR 73 HB THR 73 -8.462 -3.560 4.395 601 HG1 THR 73 HG1 THR 73 -6.154 -5.230 4.366 602 HG21 THR 73 3HG2 THR 73 -8.853 -5.949 4.651 603 HG22 THR 73 1HG2 THR 73 -7.889 -6.283 3.210 604 HG23 THR 73 2HG2 THR 73 -9.415 -5.409 3.068 605 H TYR 74 H TYR 74 -8.508 -1.303 2.574 606 HA TYR 74 HA TYR 74 -6.156 0.058 3.629 607 HB2 TYR 74 2HB TYR 74 -6.229 1.804 1.840 608 HB3 TYR 74 3HB TYR 74 -5.715 0.221 1.270 609 HD1 TYR 74 HD2 TYR 74 -7.240 -1.152 -0.131 610 HD2 TYR 74 HD1 TYR 74 -8.258 2.825 1.021 611 HE1 TYR 74 HE2 TYR 74 -8.969 -1.090 -1.878 612 HE2 TYR 74 HE1 TYR 74 -9.987 2.889 -0.722 613 HH TYR 74 HH TYR 74 -11.104 0.156 -2.323 614 H THR 75 H THR 75 -6.624 1.694 4.955 615 HA THR 75 HA THR 75 -9.395 2.739 4.992 616 HB THR 75 HB THR 75 -9.237 3.035 7.415 617 HG1 THR 75 HG1 THR 75 -6.660 1.829 7.131 618 HG21 THR 75 3HG2 THR 75 -10.147 0.916 6.606 619 HG22 THR 75 1HG2 THR 75 -9.261 0.675 8.110 620 HG23 THR 75 2HG2 THR 75 -8.527 0.216 6.574 621 H ILE 76 H ILE 76 -9.666 4.945 5.380 622 HA ILE 76 HA ILE 76 -7.201 6.571 5.135 623 HB ILE 76 HB ILE 76 -9.951 7.279 4.069 624 HG12 ILE 76 2HG1 ILE 76 -9.010 5.387 2.815 625 HG13 ILE 76 3HG1 ILE 76 -9.023 6.843 1.826 626 HG21 ILE 76 1HG2 ILE 76 -7.265 8.611 3.691 627 HG22 ILE 76 2HG2 ILE 76 -8.623 9.235 4.628 628 HG23 ILE 76 3HG2 ILE 76 -8.759 9.078 2.876 629 HD11 ILE 76 3HD1 ILE 76 -6.630 7.147 2.276 630 HD12 ILE 76 1HD1 ILE 76 -6.977 5.600 1.506 631 HD13 ILE 76 2HD1 ILE 76 -6.635 5.666 3.234 632 H ARG 77 H ARG 77 -7.014 8.430 6.414 633 HA ARG 77 HA ARG 77 -9.328 9.240 8.016 634 HB2 ARG 77 2HB ARG 77 -8.152 9.254 10.109 635 HB3 ARG 77 3HB ARG 77 -8.024 7.643 9.417 636 HG2 ARG 77 2HG ARG 77 -5.748 8.029 8.767 637 HG3 ARG 77 3HG ARG 77 -5.860 9.735 9.216 638 HD2 ARG 77 2HD ARG 77 -6.304 9.006 11.571 639 HD3 ARG 77 3HD ARG 77 -5.980 7.347 11.068 640 HE ARG 77 HE ARG 77 -3.736 8.467 10.306 641 HH11 ARG 77 1HH1 ARG 77 -5.484 8.966 13.241 642 HH12 ARG 77 2HH1 ARG 77 -4.071 9.417 14.125 643 HH21 ARG 77 1HH2 ARG 77 -1.933 9.054 11.455 644 HH22 ARG 77 2HH2 ARG 77 -2.085 9.467 13.129 645 H LEU 78 H LEU 78 -9.445 11.385 8.440 646 HA LEU 78 HA LEU 78 -7.265 13.095 7.434 647 HB2 LEU 78 2HB LEU 78 -9.512 13.426 6.448 648 HB3 LEU 78 3HB LEU 78 -10.155 13.766 8.043 649 HG LEU 78 HG LEU 78 -8.715 15.779 8.184 650 HD11 LEU 78 1HD1 LEU 78 -7.974 15.081 5.339 651 HD12 LEU 78 2HD1 LEU 78 -6.898 15.087 6.736 652 HD13 LEU 78 3HD1 LEU 78 -7.590 16.599 6.154 653 HD21 LEU 78 3HD2 LEU 78 -11.015 15.982 7.388 654 HD22 LEU 78 1HD2 LEU 78 -10.485 15.677 5.733 655 HD23 LEU 78 2HD2 LEU 78 -9.965 17.140 6.571 656 H GLU 79 H GLU 79 -5.973 14.030 8.917 657 HA GLU 79 HA GLU 79 -6.343 13.676 11.690 658 HB2 GLU 79 2HB GLU 79 -4.498 15.682 10.376 659 HB3 GLU 79 3HB GLU 79 -4.364 15.045 12.006 660 HG2 GLU 79 2HG GLU 79 -2.772 13.804 10.925 661 HG3 GLU 79 3HG GLU 79 -4.167 12.736 10.784 662 H HIS 80 H HIS 80 -8.259 14.538 12.425 663 HA HIS 80 HA HIS 80 -8.243 17.393 12.934 664 HB2 HIS 80 2HB HIS 80 -9.400 17.170 10.729 665 HB3 HIS 80 3HB HIS 80 -10.608 16.146 11.500 666 HD1 HIS 80 HD1 HIS 80 -9.563 19.697 11.103 667 HD2 HIS 80 HD2 HIS 80 -12.420 17.523 13.202 668 HE1 HIS 80 HE1 HIS 80 -11.203 21.388 11.957 669 HE2 HIS 80 HE2 HIS 80 -13.014 20.033 13.050 670 H HIS 81 H HIS 81 -8.749 17.623 15.026 671 HA HIS 81 HA HIS 81 -9.953 15.437 16.478 672 HB2 HIS 81 2HB HIS 81 -8.104 16.781 17.442 673 HB3 HIS 81 3HB HIS 81 -9.170 18.182 17.491 674 HD1 HIS 81 HD1 HIS 81 -8.581 14.865 19.145 675 HD2 HIS 81 HD2 HIS 81 -11.002 18.209 19.608 676 HE1 HIS 81 HE1 HIS 81 -9.653 14.609 21.396 677 HE2 HIS 81 HE2 HIS 81 -10.991 16.711 21.718 678 H HIS 82 H HIS 82 -12.084 15.186 16.008 679 HA HIS 82 HA HIS 82 -13.953 17.321 15.772 680 HB2 HIS 82 2HB HIS 82 -14.402 15.167 14.728 681 HB3 HIS 82 3HB HIS 82 -14.380 14.366 16.296 682 HD1 HIS 82 HD1 HIS 82 -16.455 14.726 17.841 683 HD2 HIS 82 HD2 HIS 82 -16.789 16.451 14.075 684 HE1 HIS 82 HE1 HIS 82 -18.879 15.307 17.582 685 HE2 HIS 82 HE2 HIS 82 -19.085 16.171 15.232 686 H HIS 83 H HIS 83 -13.795 18.649 17.600 687 HA HIS 83 HA HIS 83 -14.047 17.638 20.263 688 HB2 HIS 83 2HB HIS 83 -14.217 19.992 20.945 689 HB3 HIS 83 3HB HIS 83 -12.886 19.749 19.822 690 HD1 HIS 83 HD1 HIS 83 -15.695 21.910 20.424 691 HD2 HIS 83 HD2 HIS 83 -13.654 20.574 17.063 692 HE1 HIS 83 HE1 HIS 83 -16.292 23.517 18.589 693 HE2 HIS 83 HE2 HIS 83 -14.885 22.802 16.634 694 H HIS 84 H HIS 84 -15.817 17.185 21.422 695 HA HIS 84 HA HIS 84 -18.438 17.466 20.184 696 HB2 HIS 84 2HB HIS 84 -17.983 15.305 21.079 697 HB3 HIS 84 3HB HIS 84 -17.428 15.971 22.609 698 HD1 HIS 84 HD1 HIS 84 -20.651 15.603 20.620 699 HD2 HIS 84 HD2 HIS 84 -19.355 16.158 24.532 700 HE1 HIS 84 HE1 HIS 84 -22.708 15.416 22.047 701 HE2 HIS 84 HE2 HIS 84 -21.922 15.890 24.387 702 H HIS 85 H HIS 85 -20.052 18.785 20.865 703 HA HIS 85 HA HIS 85 -19.534 20.466 23.235 704 HB2 HIS 85 2HB HIS 85 -21.192 22.061 22.247 705 HB3 HIS 85 3HB HIS 85 -19.741 21.841 21.281 706 HD1 HIS 85 HD1 HIS 85 -20.023 20.485 19.044 707 HD2 HIS 85 HD2 HIS 85 -23.571 21.423 20.985 708 HE1 HIS 85 HE1 HIS 85 -21.827 20.137 17.341 709 HE2 HIS 85 HE2 HIS 85 -23.927 20.920 18.469 Start of MODEL 15 1 H1 MET 1 1H MET 1 -1.598 14.418 5.023 2 H2 MET 1 2H MET 1 -2.881 14.891 4.036 3 H3 MET 1 3H MET 1 -1.719 13.813 3.445 4 HA MET 1 HA MET 1 -3.642 13.291 5.648 5 HB2 MET 1 2HB MET 1 -3.470 12.131 2.853 6 HB3 MET 1 3HB MET 1 -4.589 11.602 4.100 7 HG2 MET 1 2HG MET 1 -5.693 13.752 4.065 8 HG3 MET 1 3HG MET 1 -4.526 14.359 2.893 9 HE1 MET 1 3HE MET 1 -7.590 11.027 1.970 10 HE2 MET 1 1HE MET 1 -7.505 11.870 3.517 11 HE3 MET 1 2HE MET 1 -6.205 10.781 3.030 12 H GLU 2 H GLU 2 -3.781 10.816 5.962 13 HA GLU 2 HA GLU 2 -1.140 9.515 5.771 14 HB2 GLU 2 2HB GLU 2 -1.402 10.422 8.047 15 HB3 GLU 2 3HB GLU 2 -2.938 9.585 8.215 16 HG2 GLU 2 2HG GLU 2 -1.856 7.450 8.214 17 HG3 GLU 2 3HG GLU 2 -0.304 8.179 7.793 18 H MET 3 H MET 3 -1.260 7.163 5.589 19 HA MET 3 HA MET 3 -3.937 6.036 5.209 20 HB2 MET 3 2HB MET 3 -3.426 7.152 3.089 21 HB3 MET 3 3HB MET 3 -1.928 6.245 2.957 22 HG2 MET 3 2HG MET 3 -3.142 4.184 2.679 23 HG3 MET 3 3HG MET 3 -4.676 5.004 2.982 24 HE1 MET 3 3HE MET 3 -4.737 4.065 -0.885 25 HE2 MET 3 1HE MET 3 -5.551 3.835 0.664 26 HE3 MET 3 2HE MET 3 -3.953 3.138 0.394 27 H ASP 4 H ASP 4 -3.903 4.125 6.222 28 HA ASP 4 HA ASP 4 -1.516 2.447 6.294 29 HB2 ASP 4 2HB ASP 4 -4.310 1.835 7.305 30 HB3 ASP 4 3HB ASP 4 -2.837 0.955 7.698 31 H ILE 5 H ILE 5 -1.075 1.055 4.652 32 HA ILE 5 HA ILE 5 -3.342 -0.043 3.101 33 HB ILE 5 HB ILE 5 -0.497 0.321 2.135 34 HG12 ILE 5 2HG1 ILE 5 -2.973 1.961 1.502 35 HG13 ILE 5 3HG1 ILE 5 -1.639 2.489 2.523 36 HG21 ILE 5 1HG2 ILE 5 -3.021 -0.454 0.662 37 HG22 ILE 5 2HG2 ILE 5 -1.664 -1.516 1.036 38 HG23 ILE 5 3HG2 ILE 5 -1.447 -0.169 -0.080 39 HD11 ILE 5 3HD1 ILE 5 -1.478 1.856 -0.414 40 HD12 ILE 5 1HD1 ILE 5 -0.134 2.377 0.603 41 HD13 ILE 5 2HD1 ILE 5 -1.494 3.462 0.314 42 H ARG 6 H ARG 6 -3.730 -2.065 3.762 43 HA ARG 6 HA ARG 6 -1.528 -3.736 4.738 44 HB2 ARG 6 2HB ARG 6 -4.527 -3.960 5.009 45 HB3 ARG 6 3HB ARG 6 -3.410 -5.192 5.584 46 HG2 ARG 6 2HG ARG 6 -2.469 -3.722 7.192 47 HG3 ARG 6 3HG ARG 6 -3.273 -2.322 6.482 48 HD2 ARG 6 2HD ARG 6 -4.738 -4.643 7.740 49 HD3 ARG 6 3HD ARG 6 -4.303 -3.167 8.607 50 HE ARG 6 HE ARG 6 -6.333 -3.452 6.532 51 HH11 ARG 6 1HH1 ARG 6 -4.534 -1.345 8.604 52 HH12 ARG 6 2HH1 ARG 6 -5.676 -0.052 8.446 53 HH21 ARG 6 1HH2 ARG 6 -7.787 -1.774 6.361 54 HH22 ARG 6 2HH2 ARG 6 -7.483 -0.287 7.189 55 H PHE 7 H PHE 7 -0.572 -4.691 2.987 56 HA PHE 7 HA PHE 7 -2.159 -6.156 1.036 57 HB2 PHE 7 2HB PHE 7 0.834 -5.924 1.452 58 HB3 PHE 7 3HB PHE 7 0.099 -6.899 0.185 59 HD1 PHE 7 HD1 PHE 7 -1.329 -5.748 -1.554 60 HD2 PHE 7 HD2 PHE 7 1.183 -3.609 1.148 61 HE1 PHE 7 HE1 PHE 7 -1.389 -3.794 -3.048 62 HE2 PHE 7 HE2 PHE 7 1.119 -1.653 -0.343 63 HZ PHE 7 HZ PHE 7 -0.168 -1.746 -2.442 64 H ARG 8 H ARG 8 -2.349 -8.392 0.923 65 HA ARG 8 HA ARG 8 -1.049 -10.009 3.007 66 HB2 ARG 8 2HB ARG 8 -3.354 -9.248 3.745 67 HB3 ARG 8 3HB ARG 8 -4.011 -10.190 2.416 68 HG2 ARG 8 2HG ARG 8 -3.126 -12.236 3.393 69 HG3 ARG 8 3HG ARG 8 -2.375 -11.309 4.695 70 HD2 ARG 8 2HD ARG 8 -4.677 -10.494 5.312 71 HD3 ARG 8 3HD ARG 8 -5.325 -11.645 4.141 72 HE ARG 8 HE ARG 8 -3.849 -13.250 5.668 73 HH11 ARG 8 1HH1 ARG 8 -6.087 -10.780 6.533 74 HH12 ARG 8 2HH1 ARG 8 -6.475 -11.516 8.047 75 HH21 ARG 8 1HH2 ARG 8 -4.373 -14.200 7.591 76 HH22 ARG 8 2HH2 ARG 8 -5.510 -13.430 8.643 77 H GLY 9 H GLY 9 -0.080 -11.692 2.038 78 HA2 GLY 9 2HA GLY 9 -1.386 -13.122 -0.146 79 HA3 GLY 9 3HA GLY 9 0.096 -12.282 -0.571 80 H ASP 10 H ASP 10 -0.369 -15.123 -0.715 81 HA ASP 10 HA ASP 10 1.079 -16.239 1.575 82 HB2 ASP 10 2HB ASP 10 -0.441 -17.583 -0.667 83 HB3 ASP 10 3HB ASP 10 0.351 -18.434 0.657 84 H ASP 11 H ASP 11 1.778 -15.263 -1.617 85 HA ASP 11 HA ASP 11 3.563 -17.386 -2.302 86 HB2 ASP 11 2HB ASP 11 4.217 -15.870 -4.208 87 HB3 ASP 11 3HB ASP 11 2.503 -16.248 -4.098 88 H LEU 12 H LEU 12 4.761 -14.056 -2.439 89 HA LEU 12 HA LEU 12 6.564 -13.948 -0.380 90 HB2 LEU 12 2HB LEU 12 7.550 -16.034 -1.228 91 HB3 LEU 12 3HB LEU 12 7.776 -15.305 -2.806 92 HG LEU 12 HG LEU 12 9.404 -13.724 -1.849 93 HD11 LEU 12 1HD1 LEU 12 8.976 -15.243 0.723 94 HD12 LEU 12 2HD1 LEU 12 8.526 -13.565 0.407 95 HD13 LEU 12 3HD1 LEU 12 10.225 -14.030 0.435 96 HD21 LEU 12 3HD2 LEU 12 10.184 -15.853 -2.784 97 HD22 LEU 12 1HD2 LEU 12 10.034 -16.608 -1.197 98 HD23 LEU 12 2HD2 LEU 12 11.208 -15.317 -1.453 99 H GLU 13 H GLU 13 6.552 -13.615 -3.924 100 HA GLU 13 HA GLU 13 8.123 -11.283 -4.061 101 HB2 GLU 13 2HB GLU 13 6.028 -12.281 -6.002 102 HB3 GLU 13 3HB GLU 13 7.231 -11.043 -6.349 103 HG2 GLU 13 2HG GLU 13 9.016 -12.693 -5.988 104 HG3 GLU 13 3HG GLU 13 7.796 -13.933 -5.691 105 H ALA 14 H ALA 14 4.703 -11.744 -3.490 106 HA ALA 14 HA ALA 14 3.652 -9.274 -4.145 107 HB1 ALA 14 3HB ALA 14 2.908 -10.976 -1.763 108 HB2 ALA 14 1HB ALA 14 2.320 -11.203 -3.410 109 HB3 ALA 14 2HB ALA 14 1.898 -9.740 -2.516 110 H PHE 15 H PHE 15 5.363 -10.210 -1.178 111 HA PHE 15 HA PHE 15 5.067 -7.794 0.237 112 HB2 PHE 15 2HB PHE 15 5.826 -9.692 1.453 113 HB3 PHE 15 3HB PHE 15 7.153 -9.980 0.334 114 HD1 PHE 15 HD2 PHE 15 5.913 -7.519 2.846 115 HD2 PHE 15 HD1 PHE 15 9.282 -9.161 0.822 116 HE1 PHE 15 HE2 PHE 15 7.415 -6.229 4.301 117 HE2 PHE 15 HE1 PHE 15 10.787 -7.872 2.280 118 HZ PHE 15 HZ PHE 15 9.854 -6.401 4.022 119 H GLU 16 H GLU 16 7.896 -8.918 -1.645 120 HA GLU 16 HA GLU 16 9.372 -6.542 -1.314 121 HB2 GLU 16 2HB GLU 16 10.468 -8.634 -1.853 122 HB3 GLU 16 3HB GLU 16 9.634 -8.718 -3.400 123 HG2 GLU 16 2HG GLU 16 10.826 -6.748 -4.180 124 HG3 GLU 16 3HG GLU 16 11.616 -6.583 -2.612 125 H LYS 17 H LYS 17 7.436 -7.648 -4.114 126 HA LYS 17 HA LYS 17 8.195 -5.465 -5.764 127 HB2 LYS 17 2HB LYS 17 5.669 -7.074 -6.109 128 HB3 LYS 17 3HB LYS 17 6.610 -6.256 -7.348 129 HG2 LYS 17 2HG LYS 17 7.327 -8.765 -5.846 130 HG3 LYS 17 3HG LYS 17 6.977 -8.597 -7.563 131 HD2 LYS 17 2HD LYS 17 9.019 -7.288 -7.863 132 HD3 LYS 17 3HD LYS 17 9.354 -7.396 -6.133 133 HE2 LYS 17 2HE LYS 17 9.406 -9.884 -6.367 134 HE3 LYS 17 3HE LYS 17 9.264 -9.676 -8.112 135 HZ1 LYS 17 3HZ LYS 17 11.475 -8.671 -6.407 136 HZ2 LYS 17 1HZ LYS 17 11.343 -8.424 -8.074 137 HZ3 LYS 17 2HZ LYS 17 11.553 -9.986 -7.463 138 H ALA 18 H ALA 18 5.232 -6.055 -3.826 139 HA ALA 18 HA ALA 18 3.913 -3.673 -4.598 140 HB1 ALA 18 3HB ALA 18 2.464 -4.045 -2.666 141 HB2 ALA 18 1HB ALA 18 3.586 -5.262 -2.050 142 HB3 ALA 18 2HB ALA 18 2.727 -5.538 -3.567 143 H LEU 19 H LEU 19 5.937 -4.402 -1.749 144 HA LEU 19 HA LEU 19 5.862 -1.903 -0.510 145 HB2 LEU 19 2HB LEU 19 6.865 -3.918 0.485 146 HB3 LEU 19 3HB LEU 19 8.174 -3.848 -0.678 147 HG LEU 19 HG LEU 19 8.900 -1.684 0.302 148 HD11 LEU 19 1HD1 LEU 19 6.772 -0.909 1.180 149 HD12 LEU 19 2HD1 LEU 19 7.975 -0.979 2.466 150 HD13 LEU 19 3HD1 LEU 19 6.744 -2.235 2.343 151 HD21 LEU 19 3HD2 LEU 19 8.683 -3.954 2.285 152 HD22 LEU 19 1HD2 LEU 19 9.832 -2.618 2.359 153 HD23 LEU 19 2HD2 LEU 19 9.919 -3.783 1.038 154 H LYS 20 H LYS 20 8.112 -3.110 -2.976 155 HA LYS 20 HA LYS 20 9.736 -0.912 -3.354 156 HB2 LYS 20 2HB LYS 20 10.270 -2.933 -4.475 157 HB3 LYS 20 3HB LYS 20 8.704 -2.999 -5.272 158 HG2 LYS 20 2HG LYS 20 10.385 -2.416 -6.879 159 HG3 LYS 20 3HG LYS 20 9.335 -1.025 -6.613 160 HD2 LYS 20 2HD LYS 20 11.053 -0.121 -5.030 161 HD3 LYS 20 3HD LYS 20 12.115 -1.450 -5.505 162 HE2 LYS 20 2HE LYS 20 11.019 0.734 -7.278 163 HE3 LYS 20 3HE LYS 20 12.695 0.507 -6.785 164 HZ1 LYS 20 3HZ LYS 20 11.136 -1.370 -8.479 165 HZ2 LYS 20 1HZ LYS 20 12.760 -1.547 -8.038 166 HZ3 LYS 20 2HZ LYS 20 12.284 -0.271 -9.042 167 H GLU 21 H GLU 21 6.712 -1.596 -5.157 168 HA GLU 21 HA GLU 21 6.800 0.773 -6.687 169 HB2 GLU 21 2HB GLU 21 4.407 -0.943 -5.994 170 HB3 GLU 21 3HB GLU 21 4.460 0.269 -7.268 171 HG2 GLU 21 2HG GLU 21 6.130 -2.242 -7.148 172 HG3 GLU 21 3HG GLU 21 4.719 -1.982 -8.171 173 H MET 22 H MET 22 5.083 0.041 -3.646 174 HA MET 22 HA MET 22 3.690 2.482 -3.459 175 HB2 MET 22 2HB MET 22 4.639 0.652 -1.240 176 HB3 MET 22 3HB MET 22 3.511 1.985 -1.025 177 HG2 MET 22 2HG MET 22 3.105 -0.559 -2.569 178 HG3 MET 22 3HG MET 22 2.211 0.024 -1.166 179 HE1 MET 22 3HE MET 22 1.907 3.183 -2.092 180 HE2 MET 22 1HE MET 22 0.659 2.248 -1.268 181 HE3 MET 22 2HE MET 22 0.280 3.097 -2.765 182 H ILE 23 H ILE 23 6.874 1.547 -2.128 183 HA ILE 23 HA ILE 23 7.498 4.027 -0.957 184 HB ILE 23 HB ILE 23 9.365 1.961 -2.154 185 HG12 ILE 23 2HG1 ILE 23 8.510 2.498 0.711 186 HG13 ILE 23 3HG1 ILE 23 7.998 1.135 -0.277 187 HG21 ILE 23 1HG2 ILE 23 10.470 4.149 -2.027 188 HG22 ILE 23 2HG2 ILE 23 11.148 3.024 -0.850 189 HG23 ILE 23 3HG2 ILE 23 10.024 4.279 -0.324 190 HD11 ILE 23 3HD1 ILE 23 10.805 1.691 0.659 191 HD12 ILE 23 1HD1 ILE 23 10.309 0.333 -0.352 192 HD13 ILE 23 2HD1 ILE 23 9.706 0.470 1.300 193 H ARG 24 H ARG 24 7.993 2.839 -4.271 194 HA ARG 24 HA ARG 24 9.344 5.033 -5.356 195 HB2 ARG 24 2HB ARG 24 9.045 2.974 -6.620 196 HB3 ARG 24 3HB ARG 24 7.301 3.191 -6.634 197 HG2 ARG 24 2HG ARG 24 8.184 3.771 -8.793 198 HG3 ARG 24 3HG ARG 24 7.593 5.231 -8.003 199 HD2 ARG 24 2HD ARG 24 9.929 5.747 -7.318 200 HD3 ARG 24 3HD ARG 24 10.472 4.346 -8.241 201 HE ARG 24 HE ARG 24 8.930 6.069 -9.874 202 HH11 ARG 24 1HH1 ARG 24 12.053 5.768 -8.454 203 HH12 ARG 24 2HH1 ARG 24 12.790 6.830 -9.597 204 HH21 ARG 24 1HH2 ARG 24 9.901 7.422 -11.340 205 HH22 ARG 24 2HH2 ARG 24 11.602 7.722 -11.228 206 H GLN 25 H GLN 25 5.840 4.533 -4.895 207 HA GLN 25 HA GLN 25 5.056 6.982 -6.127 208 HB2 GLN 25 2HB GLN 25 3.547 5.364 -4.060 209 HB3 GLN 25 3HB GLN 25 2.866 6.601 -5.106 210 HG2 GLN 25 2HG GLN 25 3.831 3.853 -5.829 211 HG3 GLN 25 3HG GLN 25 2.238 4.564 -6.072 212 HE21 GLN 25 1HE2 GLN 25 5.423 4.216 -7.303 213 HE22 GLN 25 2HE2 GLN 25 5.159 4.995 -8.822 214 H ALA 26 H ALA 26 5.665 6.056 -2.754 215 HA ALA 26 HA ALA 26 4.919 8.512 -1.571 216 HB1 ALA 26 3HB ALA 26 6.862 6.430 -0.568 217 HB2 ALA 26 1HB ALA 26 5.121 6.454 -0.284 218 HB3 ALA 26 2HB ALA 26 6.144 7.719 0.398 219 H ARG 27 H ARG 27 7.981 7.386 -2.928 220 HA ARG 27 HA ARG 27 9.618 9.485 -1.986 221 HB2 ARG 27 2HB ARG 27 9.899 7.640 -4.360 222 HB3 ARG 27 3HB ARG 27 11.124 8.829 -3.930 223 HG2 ARG 27 2HG ARG 27 11.361 7.779 -1.722 224 HG3 ARG 27 3HG ARG 27 10.158 6.572 -2.175 225 HD2 ARG 27 2HD ARG 27 12.428 5.701 -2.421 226 HD3 ARG 27 3HD ARG 27 11.604 5.788 -3.977 227 HE ARG 27 HE ARG 27 12.929 7.751 -4.483 228 HH11 ARG 27 1HH1 ARG 27 13.946 5.972 -1.714 229 HH12 ARG 27 2HH1 ARG 27 15.588 6.494 -1.849 230 HH21 ARG 27 1HH2 ARG 27 15.029 8.420 -4.641 231 HH22 ARG 27 2HH2 ARG 27 16.199 7.852 -3.499 232 H LYS 28 H LYS 28 7.464 9.306 -4.763 233 HA LYS 28 HA LYS 28 8.272 11.565 -6.190 234 HB2 LYS 28 2HB LYS 28 5.432 10.640 -5.652 235 HB3 LYS 28 3HB LYS 28 5.912 11.775 -6.907 236 HG2 LYS 28 2HG LYS 28 7.207 10.034 -8.012 237 HG3 LYS 28 3HG LYS 28 6.781 8.890 -6.735 238 HD2 LYS 28 2HD LYS 28 4.408 9.107 -7.333 239 HD3 LYS 28 3HD LYS 28 4.830 10.259 -8.603 240 HE2 LYS 28 2HE LYS 28 6.119 8.536 -9.756 241 HE3 LYS 28 3HE LYS 28 5.755 7.383 -8.473 242 HZ1 LYS 28 3HZ LYS 28 4.308 7.041 -10.358 243 HZ2 LYS 28 1HZ LYS 28 3.774 8.646 -10.294 244 HZ3 LYS 28 2HZ LYS 28 3.398 7.580 -9.037 245 H PHE 29 H PHE 29 6.200 11.325 -3.326 246 HA PHE 29 HA PHE 29 6.067 14.250 -3.092 247 HB2 PHE 29 2HB PHE 29 4.636 12.119 -1.480 248 HB3 PHE 29 3HB PHE 29 4.333 13.851 -1.411 249 HD1 PHE 29 HD1 PHE 29 3.397 15.007 -3.442 250 HD2 PHE 29 HD2 PHE 29 3.593 10.760 -3.110 251 HE1 PHE 29 HE1 PHE 29 1.731 14.788 -5.240 252 HE2 PHE 29 HE2 PHE 29 1.928 10.542 -4.906 253 HZ PHE 29 HZ PHE 29 0.997 12.559 -5.976 254 H ALA 30 H ALA 30 8.017 11.773 -2.000 255 HA ALA 30 HA ALA 30 9.628 11.579 -0.408 256 HB1 ALA 30 3HB ALA 30 10.616 13.645 0.477 257 HB2 ALA 30 1HB ALA 30 9.251 14.565 -0.156 258 HB3 ALA 30 2HB ALA 30 10.349 13.742 -1.264 259 H GLY 31 H GLY 31 7.090 10.895 0.457 260 HA2 GLY 31 2HA GLY 31 6.589 12.141 3.047 261 HA3 GLY 31 3HA GLY 31 5.628 10.885 2.289 262 H THR 32 H THR 32 5.786 10.326 4.732 263 HA THR 32 HA THR 32 8.204 8.813 5.420 264 HB THR 32 HB THR 32 5.737 9.319 7.111 265 HG1 THR 32 HG1 THR 32 8.138 10.776 6.753 266 HG21 THR 32 3HG2 THR 32 7.026 7.373 7.851 267 HG22 THR 32 1HG2 THR 32 7.192 8.704 8.997 268 HG23 THR 32 2HG2 THR 32 8.500 8.341 7.870 269 H VAL 33 H VAL 33 8.305 6.614 5.396 270 HA VAL 33 HA VAL 33 5.793 5.111 4.945 271 HB VAL 33 HB VAL 33 8.489 4.498 3.700 272 HG11 VAL 33 1HG1 VAL 33 7.278 2.771 2.434 273 HG12 VAL 33 2HG1 VAL 33 5.810 3.136 3.344 274 HG13 VAL 33 3HG1 VAL 33 7.218 2.469 4.171 275 HG21 VAL 33 3HG2 VAL 33 5.958 5.569 2.441 276 HG22 VAL 33 1HG2 VAL 33 7.413 5.082 1.568 277 HG23 VAL 33 2HG2 VAL 33 7.466 6.454 2.674 278 H THR 34 H THR 34 5.378 3.619 6.439 279 HA THR 34 HA THR 34 7.604 2.062 7.593 280 HB THR 34 HB THR 34 7.039 3.596 9.364 281 HG1 THR 34 HG1 THR 34 7.290 1.823 10.506 282 HG21 THR 34 3HG2 THR 34 4.772 3.796 10.284 283 HG22 THR 34 1HG2 THR 34 4.163 2.716 9.029 284 HG23 THR 34 2HG2 THR 34 4.819 4.295 8.592 285 H TYR 35 H TYR 35 7.101 -0.134 8.052 286 HA TYR 35 HA TYR 35 4.429 -1.078 7.317 287 HB2 TYR 35 2HB TYR 35 5.361 -2.747 5.732 288 HB3 TYR 35 3HB TYR 35 5.578 -1.088 5.198 289 HD1 TYR 35 HD2 TYR 35 7.843 -0.050 5.263 290 HD2 TYR 35 HD1 TYR 35 7.241 -4.166 6.181 291 HE1 TYR 35 HE2 TYR 35 10.245 -0.470 4.946 292 HE2 TYR 35 HE1 TYR 35 9.636 -4.593 5.864 293 HH TYR 35 HH TYR 35 11.948 -2.094 5.618 294 H THR 36 H THR 36 3.790 -2.964 8.253 295 HA THR 36 HA THR 36 5.672 -4.233 10.163 296 HB THR 36 HB THR 36 3.758 -4.780 11.568 297 HG1 THR 36 HG1 THR 36 1.705 -3.575 10.818 298 HG21 THR 36 3HG2 THR 36 4.799 -2.605 11.955 299 HG22 THR 36 1HG2 THR 36 3.061 -2.510 12.243 300 HG23 THR 36 2HG2 THR 36 3.743 -1.866 10.751 301 H LEU 37 H LEU 37 5.801 -6.463 10.261 302 HA LEU 37 HA LEU 37 4.303 -7.975 8.207 303 HB2 LEU 37 2HB LEU 37 7.091 -8.317 9.288 304 HB3 LEU 37 3HB LEU 37 6.254 -9.658 8.528 305 HG LEU 37 HG LEU 37 7.705 -8.648 6.911 306 HD11 LEU 37 1HD1 LEU 37 6.119 -8.054 5.149 307 HD12 LEU 37 2HD1 LEU 37 4.847 -7.865 6.356 308 HD13 LEU 37 3HD1 LEU 37 5.568 -9.449 6.077 309 HD21 LEU 37 3HD2 LEU 37 6.300 -6.033 7.456 310 HD22 LEU 37 1HD2 LEU 37 7.538 -6.313 6.232 311 HD23 LEU 37 2HD2 LEU 37 7.944 -6.444 7.942 312 H ASP 38 H ASP 38 2.883 -9.430 8.900 313 HA ASP 38 HA ASP 38 3.473 -11.004 11.306 314 HB2 ASP 38 2HB ASP 38 1.921 -9.135 11.951 315 HB3 ASP 38 3HB ASP 38 0.747 -9.773 10.806 316 H GLY 39 H GLY 39 3.849 -12.885 10.175 317 HA2 GLY 39 2HA GLY 39 3.365 -14.813 9.009 318 HA3 GLY 39 3HA GLY 39 1.667 -14.388 9.154 319 H ASN 40 H ASN 40 0.601 -13.618 7.387 320 HA ASN 40 HA ASN 40 2.179 -13.124 4.929 321 HB2 ASN 40 2HB ASN 40 -0.726 -13.946 5.220 322 HB3 ASN 40 3HB ASN 40 0.097 -13.654 3.689 323 HD21 ASN 40 1HD2 ASN 40 -1.186 -16.068 4.694 324 HD22 ASN 40 2HD2 ASN 40 0.026 -17.296 4.671 325 H ASP 41 H ASP 41 0.898 -11.416 7.319 326 HA ASP 41 HA ASP 41 -0.637 -9.476 5.765 327 HB2 ASP 41 2HB ASP 41 -0.092 -9.668 8.739 328 HB3 ASP 41 3HB ASP 41 -1.161 -8.494 7.975 329 H LEU 42 H LEU 42 0.113 -7.553 5.140 330 HA LEU 42 HA LEU 42 2.563 -6.442 6.355 331 HB2 LEU 42 2HB LEU 42 3.246 -7.420 4.265 332 HB3 LEU 42 3HB LEU 42 1.892 -6.698 3.418 333 HG LEU 42 HG LEU 42 2.899 -4.441 3.844 334 HD11 LEU 42 1HD1 LEU 42 4.244 -4.974 5.793 335 HD12 LEU 42 2HD1 LEU 42 5.249 -4.312 4.505 336 HD13 LEU 42 3HD1 LEU 42 5.257 -6.047 4.825 337 HD21 LEU 42 3HD2 LEU 42 4.648 -4.652 2.135 338 HD22 LEU 42 1HD2 LEU 42 3.194 -5.552 1.700 339 HD23 LEU 42 2HD2 LEU 42 4.610 -6.406 2.311 340 H GLU 43 H GLU 43 1.632 -4.754 7.486 341 HA GLU 43 HA GLU 43 -0.242 -2.989 6.068 342 HB2 GLU 43 2HB GLU 43 -0.919 -3.673 8.313 343 HB3 GLU 43 3HB GLU 43 0.573 -3.029 8.985 344 HG2 GLU 43 2HG GLU 43 -0.075 -0.784 8.490 345 HG3 GLU 43 3HG GLU 43 -1.450 -1.329 7.535 346 H ILE 44 H ILE 44 0.724 -1.506 4.848 347 HA ILE 44 HA ILE 44 3.166 -0.165 5.796 348 HB ILE 44 HB ILE 44 1.876 0.017 3.057 349 HG12 ILE 44 2HG1 ILE 44 4.204 -1.718 3.939 350 HG13 ILE 44 3HG1 ILE 44 2.586 -2.305 3.568 351 HG21 ILE 44 1HG2 ILE 44 3.327 1.903 3.584 352 HG22 ILE 44 2HG2 ILE 44 4.076 0.879 2.358 353 HG23 ILE 44 3HG2 ILE 44 4.631 0.801 4.030 354 HD11 ILE 44 3HD1 ILE 44 2.844 -1.570 1.260 355 HD12 ILE 44 1HD1 ILE 44 4.123 -2.690 1.726 356 HD13 ILE 44 2HD1 ILE 44 4.457 -0.961 1.628 357 H ARG 45 H ARG 45 2.662 1.590 7.039 358 HA ARG 45 HA ARG 45 0.401 3.296 6.293 359 HB2 ARG 45 2HB ARG 45 0.689 2.738 8.678 360 HB3 ARG 45 3HB ARG 45 2.278 3.493 8.666 361 HG2 ARG 45 2HG ARG 45 1.205 5.654 8.079 362 HG3 ARG 45 3HG ARG 45 -0.369 4.874 8.226 363 HD2 ARG 45 2HD ARG 45 1.685 5.143 10.425 364 HD3 ARG 45 3HD ARG 45 0.225 6.116 10.257 365 HE ARG 45 HE ARG 45 -0.627 3.499 10.318 366 HH11 ARG 45 1HH1 ARG 45 1.051 5.655 12.419 367 HH12 ARG 45 2HH1 ARG 45 0.584 4.805 13.850 368 HH21 ARG 45 1HH2 ARG 45 -1.266 2.444 12.173 369 HH22 ARG 45 2HH2 ARG 45 -0.734 3.022 13.713 370 H ILE 46 H ILE 46 0.796 4.764 4.748 371 HA ILE 46 HA ILE 46 3.433 6.072 4.637 372 HB ILE 46 HB ILE 46 1.218 6.175 2.571 373 HG12 ILE 46 2HG1 ILE 46 3.738 4.476 2.598 374 HG13 ILE 46 3HG1 ILE 46 2.109 3.872 2.877 375 HG21 ILE 46 1HG2 ILE 46 2.953 7.049 1.089 376 HG22 ILE 46 2HG2 ILE 46 4.135 6.954 2.394 377 HG23 ILE 46 3HG2 ILE 46 2.778 8.075 2.513 378 HD11 ILE 46 3HD1 ILE 46 1.481 4.503 0.608 379 HD12 ILE 46 1HD1 ILE 46 2.861 3.402 0.616 380 HD13 ILE 46 2HD1 ILE 46 3.110 5.125 0.328 381 H THR 47 H THR 47 3.545 7.872 5.791 382 HA THR 47 HA THR 47 1.178 9.565 6.171 383 HB THR 47 HB THR 47 3.877 9.832 7.525 384 HG1 THR 47 HG1 THR 47 1.811 8.753 9.002 385 HG21 THR 47 3HG2 THR 47 2.460 11.825 7.676 386 HG22 THR 47 1HG2 THR 47 2.592 11.036 9.248 387 HG23 THR 47 2HG2 THR 47 1.127 10.844 8.285 388 H GLY 48 H GLY 48 0.967 11.525 5.209 389 HA2 GLY 48 2HA GLY 48 2.057 13.655 4.626 390 HA3 GLY 48 3HA GLY 48 3.371 12.716 3.942 391 H VAL 49 H VAL 49 1.049 10.886 2.870 392 HA VAL 49 HA VAL 49 1.074 11.881 0.243 393 HB VAL 49 HB VAL 49 -0.775 10.222 -0.199 394 HG11 VAL 49 1HG1 VAL 49 0.658 8.259 0.180 395 HG12 VAL 49 2HG1 VAL 49 1.678 9.218 1.252 396 HG13 VAL 49 3HG1 VAL 49 1.572 9.626 -0.460 397 HG21 VAL 49 3HG2 VAL 49 -1.347 8.642 1.593 398 HG22 VAL 49 1HG2 VAL 49 -1.852 10.283 1.995 399 HG23 VAL 49 2HG2 VAL 49 -0.406 9.598 2.739 400 HA PRO 50 HA PRO 50 -1.941 15.068 0.386 401 HB2 PRO 50 2HB PRO 50 -2.341 15.477 -2.246 402 HB3 PRO 50 3HB PRO 50 -0.796 15.834 -1.463 403 HG2 PRO 50 2HG PRO 50 -1.590 13.426 -3.067 404 HG3 PRO 50 3HG PRO 50 -0.102 14.389 -3.157 405 HD2 PRO 50 2HD PRO 50 -0.269 12.031 -1.804 406 HD3 PRO 50 3HD PRO 50 0.836 13.339 -1.336 407 H GLU 51 H GLU 51 -4.061 15.744 -0.904 408 HA GLU 51 HA GLU 51 -5.977 13.626 -0.308 409 HB2 GLU 51 2HB GLU 51 -7.663 15.409 -0.380 410 HB3 GLU 51 3HB GLU 51 -6.323 15.832 0.678 411 HG2 GLU 51 2HG GLU 51 -5.374 17.128 -1.308 412 HG3 GLU 51 3HG GLU 51 -6.956 16.918 -2.054 413 H GLN 52 H GLN 52 -5.298 15.804 -3.078 414 HA GLN 52 HA GLN 52 -7.431 14.859 -4.660 415 HB2 GLN 52 2HB GLN 52 -6.293 16.009 -6.540 416 HB3 GLN 52 3HB GLN 52 -6.454 17.011 -5.105 417 HG2 GLN 52 2HG GLN 52 -4.125 16.646 -4.541 418 HG3 GLN 52 3HG GLN 52 -3.939 15.554 -5.913 419 HE21 GLN 52 1HE2 GLN 52 -2.520 18.031 -5.313 420 HE22 GLN 52 2HE2 GLN 52 -2.782 19.072 -6.665 421 H VAL 53 H VAL 53 -4.043 13.831 -4.523 422 HA VAL 53 HA VAL 53 -4.205 12.125 -6.816 423 HB VAL 53 HB VAL 53 -2.136 12.046 -4.600 424 HG11 VAL 53 1HG1 VAL 53 -2.068 10.102 -6.086 425 HG12 VAL 53 2HG1 VAL 53 -0.652 11.126 -6.321 426 HG13 VAL 53 3HG1 VAL 53 -1.974 11.166 -7.490 427 HG21 VAL 53 3HG2 VAL 53 -2.327 14.315 -5.467 428 HG22 VAL 53 1HG2 VAL 53 -2.172 13.716 -7.119 429 HG23 VAL 53 2HG2 VAL 53 -0.815 13.580 -5.999 430 H ARG 54 H ARG 54 -5.596 11.786 -3.835 431 HA ARG 54 HA ARG 54 -5.045 9.256 -2.878 432 HB2 ARG 54 2HB ARG 54 -6.502 10.957 -1.795 433 HB3 ARG 54 3HB ARG 54 -7.774 10.562 -2.946 434 HG2 ARG 54 2HG ARG 54 -8.204 9.457 -0.851 435 HG3 ARG 54 3HG ARG 54 -7.794 8.243 -2.068 436 HD2 ARG 54 2HD ARG 54 -6.701 7.929 0.186 437 HD3 ARG 54 3HD ARG 54 -5.598 7.978 -1.192 438 HE ARG 54 HE ARG 54 -5.897 10.568 -0.128 439 HH11 ARG 54 1HH1 ARG 54 -4.446 7.542 0.663 440 HH12 ARG 54 2HH1 ARG 54 -3.169 8.273 1.559 441 HH21 ARG 54 1HH2 ARG 54 -4.251 11.499 0.977 442 HH22 ARG 54 2HH2 ARG 54 -3.066 10.506 1.746 443 H LYS 55 H LYS 55 -7.113 10.144 -5.581 444 HA LYS 55 HA LYS 55 -8.512 7.774 -6.004 445 HB2 LYS 55 2HB LYS 55 -7.442 9.627 -8.149 446 HB3 LYS 55 3HB LYS 55 -8.798 8.519 -8.308 447 HG2 LYS 55 2HG LYS 55 -8.702 10.915 -6.477 448 HG3 LYS 55 3HG LYS 55 -9.516 10.843 -8.041 449 HD2 LYS 55 2HD LYS 55 -10.980 9.055 -7.184 450 HD3 LYS 55 3HD LYS 55 -10.177 9.159 -5.614 451 HE2 LYS 55 2HE LYS 55 -10.923 11.463 -5.361 452 HE3 LYS 55 3HE LYS 55 -11.670 11.418 -6.957 453 HZ1 LYS 55 3HZ LYS 55 -13.166 9.683 -6.148 454 HZ2 LYS 55 1HZ LYS 55 -13.311 11.104 -5.239 455 HZ3 LYS 55 2HZ LYS 55 -12.467 9.779 -4.611 456 H GLU 56 H GLU 56 -5.412 8.767 -7.483 457 HA GLU 56 HA GLU 56 -5.026 6.224 -8.743 458 HB2 GLU 56 2HB GLU 56 -3.104 8.527 -8.363 459 HB3 GLU 56 3HB GLU 56 -2.791 7.107 -9.354 460 HG2 GLU 56 2HG GLU 56 -4.939 7.737 -10.608 461 HG3 GLU 56 3HG GLU 56 -4.791 9.300 -9.807 462 H LEU 57 H LEU 57 -3.891 7.688 -5.734 463 HA LEU 57 HA LEU 57 -1.919 5.836 -5.021 464 HB2 LEU 57 2HB LEU 57 -3.894 7.294 -3.255 465 HB3 LEU 57 3HB LEU 57 -2.494 6.420 -2.657 466 HG LEU 57 HG LEU 57 -2.400 8.837 -4.478 467 HD11 LEU 57 1HD1 LEU 57 -3.146 9.389 -2.206 468 HD12 LEU 57 2HD1 LEU 57 -1.539 10.033 -2.542 469 HD13 LEU 57 3HD1 LEU 57 -1.719 8.589 -1.547 470 HD21 LEU 57 3HD2 LEU 57 0.016 8.797 -4.033 471 HD22 LEU 57 1HD2 LEU 57 -0.524 7.346 -4.875 472 HD23 LEU 57 2HD2 LEU 57 -0.178 7.284 -3.146 473 H ALA 58 H ALA 58 -5.439 5.688 -4.480 474 HA ALA 58 HA ALA 58 -5.435 3.099 -3.283 475 HB1 ALA 58 3HB ALA 58 -7.297 4.657 -2.997 476 HB2 ALA 58 1HB ALA 58 -7.854 3.131 -3.689 477 HB3 ALA 58 2HB ALA 58 -7.665 4.552 -4.719 478 H LYS 59 H LYS 59 -5.947 4.246 -6.600 479 HA LYS 59 HA LYS 59 -6.576 1.851 -7.866 480 HB2 LYS 59 2HB LYS 59 -6.755 4.052 -8.934 481 HB3 LYS 59 3HB LYS 59 -5.005 4.207 -8.940 482 HG2 LYS 59 2HG LYS 59 -4.853 2.280 -10.464 483 HG3 LYS 59 3HG LYS 59 -6.613 2.166 -10.474 484 HD2 LYS 59 2HD LYS 59 -5.831 3.344 -12.458 485 HD3 LYS 59 3HD LYS 59 -6.751 4.436 -11.420 486 HE2 LYS 59 2HE LYS 59 -4.635 5.337 -10.528 487 HE3 LYS 59 3HE LYS 59 -3.736 4.259 -11.596 488 HZ1 LYS 59 3HZ LYS 59 -3.917 6.502 -12.503 489 HZ2 LYS 59 1HZ LYS 59 -5.604 6.388 -12.490 490 HZ3 LYS 59 2HZ LYS 59 -4.698 5.378 -13.496 491 H GLU 60 H GLU 60 -3.388 3.193 -7.087 492 HA GLU 60 HA GLU 60 -1.828 1.296 -8.487 493 HB2 GLU 60 2HB GLU 60 -1.054 3.526 -7.557 494 HB3 GLU 60 3HB GLU 60 -1.017 2.771 -5.969 495 HG2 GLU 60 2HG GLU 60 1.201 2.804 -6.887 496 HG3 GLU 60 3HG GLU 60 0.636 1.135 -6.822 497 H ALA 61 H ALA 61 -2.813 1.454 -5.062 498 HA ALA 61 HA ALA 61 -1.653 -0.934 -4.181 499 HB1 ALA 61 3HB ALA 61 -2.568 0.743 -2.655 500 HB2 ALA 61 1HB ALA 61 -3.266 -0.844 -2.333 501 HB3 ALA 61 2HB ALA 61 -4.201 0.371 -3.208 502 H GLU 62 H GLU 62 -4.883 -0.354 -5.570 503 HA GLU 62 HA GLU 62 -5.834 -2.995 -5.427 504 HB2 GLU 62 2HB GLU 62 -6.505 -0.758 -7.346 505 HB3 GLU 62 3HB GLU 62 -7.368 -2.291 -7.308 506 HG2 GLU 62 2HG GLU 62 -8.012 -1.865 -4.977 507 HG3 GLU 62 3HG GLU 62 -7.159 -0.324 -5.030 508 H ARG 63 H ARG 63 -4.008 -1.337 -8.006 509 HA ARG 63 HA ARG 63 -3.879 -3.413 -9.863 510 HB2 ARG 63 2HB ARG 63 -2.975 -1.323 -10.537 511 HB3 ARG 63 3HB ARG 63 -1.904 -1.245 -9.145 512 HG2 ARG 63 2HG ARG 63 -0.665 -3.213 -10.095 513 HG3 ARG 63 3HG ARG 63 -1.648 -3.048 -11.548 514 HD2 ARG 63 2HD ARG 63 -0.020 -0.770 -10.446 515 HD3 ARG 63 3HD ARG 63 0.664 -1.957 -11.552 516 HE ARG 63 HE ARG 63 -1.392 -1.185 -12.985 517 HH11 ARG 63 1HH1 ARG 63 0.635 0.798 -11.016 518 HH12 ARG 63 2HH1 ARG 63 0.532 2.150 -12.092 519 HH21 ARG 63 1HH2 ARG 63 -1.490 0.545 -14.368 520 HH22 ARG 63 2HH2 ARG 63 -0.627 1.996 -13.987 521 H LEU 64 H LEU 64 -1.572 -2.701 -7.234 522 HA LEU 64 HA LEU 64 0.182 -4.812 -7.596 523 HB2 LEU 64 2HB LEU 64 -0.689 -3.485 -5.024 524 HB3 LEU 64 3HB LEU 64 0.702 -4.542 -5.165 525 HG LEU 64 HG LEU 64 0.389 -1.940 -6.676 526 HD11 LEU 64 1HD1 LEU 64 2.042 -2.519 -4.217 527 HD12 LEU 64 2HD1 LEU 64 0.570 -1.548 -4.262 528 HD13 LEU 64 3HD1 LEU 64 2.008 -1.006 -5.125 529 HD21 LEU 64 3HD2 LEU 64 2.760 -2.219 -7.178 530 HD22 LEU 64 1HD2 LEU 64 1.822 -3.581 -7.790 531 HD23 LEU 64 2HD2 LEU 64 2.773 -3.757 -6.313 532 H ALA 65 H ALA 65 -2.765 -4.761 -5.597 533 HA ALA 65 HA ALA 65 -2.582 -7.388 -4.618 534 HB1 ALA 65 3HB ALA 65 -4.958 -7.196 -4.105 535 HB2 ALA 65 1HB ALA 65 -5.079 -5.779 -5.152 536 HB3 ALA 65 2HB ALA 65 -4.101 -5.712 -3.687 537 H LYS 66 H LYS 66 -4.117 -6.147 -7.585 538 HA LYS 66 HA LYS 66 -5.257 -8.670 -8.305 539 HB2 LYS 66 2HB LYS 66 -4.792 -6.194 -9.985 540 HB3 LYS 66 3HB LYS 66 -5.761 -7.579 -10.473 541 HG2 LYS 66 2HG LYS 66 -6.322 -5.746 -8.139 542 HG3 LYS 66 3HG LYS 66 -7.175 -5.765 -9.684 543 HD2 LYS 66 2HD LYS 66 -8.007 -7.998 -9.242 544 HD3 LYS 66 3HD LYS 66 -7.059 -8.091 -7.754 545 HE2 LYS 66 2HE LYS 66 -9.385 -7.595 -7.245 546 HE3 LYS 66 3HE LYS 66 -8.360 -6.225 -6.820 547 HZ1 LYS 66 3HZ LYS 66 -10.120 -6.480 -9.194 548 HZ2 LYS 66 1HZ LYS 66 -8.997 -5.230 -8.992 549 HZ3 LYS 66 2HZ LYS 66 -10.277 -5.396 -7.908 550 H GLU 67 H GLU 67 -2.182 -7.111 -9.014 551 HA GLU 67 HA GLU 67 -1.396 -8.691 -11.205 552 HB2 GLU 67 2HB GLU 67 0.345 -7.420 -9.080 553 HB3 GLU 67 3HB GLU 67 0.928 -8.066 -10.610 554 HG2 GLU 67 2HG GLU 67 -0.909 -5.710 -10.213 555 HG3 GLU 67 3HG GLU 67 0.760 -5.676 -10.769 556 H PHE 68 H PHE 68 -1.088 -9.265 -7.724 557 HA PHE 68 HA PHE 68 0.088 -11.914 -8.244 558 HB2 PHE 68 2HB PHE 68 -0.275 -10.413 -5.634 559 HB3 PHE 68 3HB PHE 68 0.548 -11.960 -5.818 560 HD1 PHE 68 HD1 PHE 68 2.711 -12.082 -6.992 561 HD2 PHE 68 HD2 PHE 68 0.796 -8.358 -6.217 562 HE1 PHE 68 HE1 PHE 68 4.820 -10.902 -7.450 563 HE2 PHE 68 HE2 PHE 68 2.902 -7.174 -6.675 564 HZ PHE 68 HZ PHE 68 4.915 -8.449 -7.297 565 H ASN 69 H ASN 69 -2.932 -10.616 -7.905 566 HA ASN 69 HA ASN 69 -4.987 -11.287 -7.222 567 HB2 ASN 69 2HB ASN 69 -4.523 -13.102 -8.842 568 HB3 ASN 69 3HB ASN 69 -3.826 -14.069 -7.547 569 HD21 ASN 69 1HD2 ASN 69 -6.653 -12.054 -7.084 570 HD22 ASN 69 2HD2 ASN 69 -7.768 -13.354 -6.894 571 H ILE 70 H ILE 70 -3.926 -10.338 -5.160 572 HA ILE 70 HA ILE 70 -4.229 -12.283 -2.960 573 HB ILE 70 HB ILE 70 -2.578 -10.974 -1.662 574 HG12 ILE 70 2HG1 ILE 70 -2.038 -9.543 -4.280 575 HG13 ILE 70 3HG1 ILE 70 -2.850 -8.828 -2.893 576 HG21 ILE 70 1HG2 ILE 70 -0.575 -11.782 -2.821 577 HG22 ILE 70 2HG2 ILE 70 -1.526 -12.042 -4.284 578 HG23 ILE 70 3HG2 ILE 70 -1.864 -12.986 -2.832 579 HD11 ILE 70 3HD1 ILE 70 -0.810 -9.104 -1.568 580 HD12 ILE 70 1HD1 ILE 70 -0.543 -8.121 -3.006 581 HD13 ILE 70 2HD1 ILE 70 -0.002 -9.798 -2.974 582 H THR 71 H THR 71 -4.302 -10.740 -0.790 583 HA THR 71 HA THR 71 -6.773 -9.186 -1.186 584 HB THR 71 HB THR 71 -5.580 -10.200 1.412 585 HG1 THR 71 HG1 THR 71 -7.435 -11.336 -0.417 586 HG21 THR 71 3HG2 THR 71 -7.099 -8.311 1.723 587 HG22 THR 71 1HG2 THR 71 -7.845 -9.799 2.308 588 HG23 THR 71 2HG2 THR 71 -8.328 -9.120 0.753 589 H VAL 72 H VAL 72 -6.977 -7.047 -0.579 590 HA VAL 72 HA VAL 72 -4.791 -5.789 0.918 591 HB VAL 72 HB VAL 72 -4.249 -5.401 -1.455 592 HG11 VAL 72 1HG1 VAL 72 -6.895 -3.953 -1.591 593 HG12 VAL 72 2HG1 VAL 72 -6.492 -5.465 -2.406 594 HG13 VAL 72 3HG1 VAL 72 -5.663 -3.973 -2.853 595 HG21 VAL 72 3HG2 VAL 72 -3.602 -3.733 0.212 596 HG22 VAL 72 1HG2 VAL 72 -5.137 -2.893 -0.014 597 HG23 VAL 72 2HG2 VAL 72 -3.969 -2.968 -1.335 598 H THR 73 H THR 73 -5.515 -4.499 2.482 599 HA THR 73 HA THR 73 -8.151 -3.179 2.205 600 HB THR 73 HB THR 73 -8.569 -3.471 4.610 601 HG1 THR 73 HG1 THR 73 -6.445 -5.328 4.789 602 HG21 THR 73 3HG2 THR 73 -8.984 -5.904 4.644 603 HG22 THR 73 1HG2 THR 73 -7.972 -6.087 3.211 604 HG23 THR 73 2HG2 THR 73 -9.477 -5.171 3.117 605 H TYR 74 H TYR 74 -8.003 -1.000 2.424 606 HA TYR 74 HA TYR 74 -5.651 0.059 3.857 607 HB2 TYR 74 2HB TYR 74 -5.712 1.956 2.103 608 HB3 TYR 74 3HB TYR 74 -5.003 0.412 1.657 609 HD1 TYR 74 HD2 TYR 74 -6.255 -1.141 0.174 610 HD2 TYR 74 HD1 TYR 74 -7.659 2.802 0.964 611 HE1 TYR 74 HE2 TYR 74 -7.717 -1.276 -1.793 612 HE2 TYR 74 HE1 TYR 74 -9.126 2.676 -1.008 613 HH TYR 74 HH TYR 74 -9.132 1.356 -3.217 614 H THR 75 H THR 75 -5.907 1.727 5.183 615 HA THR 75 HA THR 75 -8.628 2.780 5.600 616 HB THR 75 HB THR 75 -6.232 2.848 7.465 617 HG1 THR 75 HG1 THR 75 -8.455 1.375 8.185 618 HG21 THR 75 3HG2 THR 75 -7.798 4.699 7.863 619 HG22 THR 75 1HG2 THR 75 -7.843 3.531 9.182 620 HG23 THR 75 2HG2 THR 75 -9.133 3.552 7.979 621 H ILE 76 H ILE 76 -9.059 4.828 5.009 622 HA ILE 76 HA ILE 76 -6.850 6.584 4.213 623 HB ILE 76 HB ILE 76 -9.827 7.002 3.815 624 HG12 ILE 76 2HG1 ILE 76 -9.094 4.985 2.632 625 HG13 ILE 76 3HG1 ILE 76 -9.436 6.273 1.484 626 HG21 ILE 76 1HG2 ILE 76 -9.156 8.660 2.151 627 HG22 ILE 76 2HG2 ILE 76 -7.456 8.364 2.522 628 HG23 ILE 76 3HG2 ILE 76 -8.515 9.068 3.742 629 HD11 ILE 76 3HD1 ILE 76 -7.031 6.723 1.302 630 HD12 ILE 76 1HD1 ILE 76 -7.453 5.076 0.838 631 HD13 ILE 76 2HD1 ILE 76 -6.714 5.385 2.408 632 H ARG 77 H ARG 77 -6.060 7.942 5.731 633 HA ARG 77 HA ARG 77 -7.906 9.087 7.723 634 HB2 ARG 77 2HB ARG 77 -4.882 9.176 7.747 635 HB3 ARG 77 3HB ARG 77 -5.968 9.619 9.055 636 HG2 ARG 77 2HG ARG 77 -6.707 7.252 9.188 637 HG3 ARG 77 3HG ARG 77 -5.498 6.846 7.964 638 HD2 ARG 77 2HD ARG 77 -3.763 7.843 9.495 639 HD3 ARG 77 3HD ARG 77 -5.020 7.960 10.728 640 HE ARG 77 HE ARG 77 -4.613 5.330 9.583 641 HH11 ARG 77 1HH1 ARG 77 -3.837 7.504 12.139 642 HH12 ARG 77 2HH1 ARG 77 -3.289 6.243 13.185 643 HH21 ARG 77 1HH2 ARG 77 -3.898 3.734 10.900 644 HH22 ARG 77 2HH2 ARG 77 -3.347 4.114 12.499 645 H LEU 78 H LEU 78 -8.746 10.974 7.056 646 HA LEU 78 HA LEU 78 -7.104 12.907 5.601 647 HB2 LEU 78 2HB LEU 78 -9.112 14.217 5.305 648 HB3 LEU 78 3HB LEU 78 -9.417 12.561 4.828 649 HG LEU 78 HG LEU 78 -10.255 13.654 7.523 650 HD11 LEU 78 1HD1 LEU 78 -11.878 13.516 4.979 651 HD12 LEU 78 2HD1 LEU 78 -11.347 14.984 5.800 652 HD13 LEU 78 3HD1 LEU 78 -12.507 13.908 6.578 653 HD21 LEU 78 3HD2 LEU 78 -10.136 11.221 7.401 654 HD22 LEU 78 1HD2 LEU 78 -11.135 11.225 5.946 655 HD23 LEU 78 2HD2 LEU 78 -11.815 11.749 7.486 656 H GLU 79 H GLU 79 -6.366 14.819 6.455 657 HA GLU 79 HA GLU 79 -5.899 14.856 9.245 658 HB2 GLU 79 2HB GLU 79 -4.409 15.835 7.447 659 HB3 GLU 79 3HB GLU 79 -5.533 17.187 7.351 660 HG2 GLU 79 2HG GLU 79 -5.086 17.764 9.663 661 HG3 GLU 79 3HG GLU 79 -4.034 16.360 9.836 662 H HIS 80 H HIS 80 -7.118 15.601 10.851 663 HA HIS 80 HA HIS 80 -9.761 16.506 10.290 664 HB2 HIS 80 2HB HIS 80 -8.298 16.184 12.915 665 HB3 HIS 80 3HB HIS 80 -10.023 16.513 12.763 666 HD1 HIS 80 HD1 HIS 80 -7.522 13.793 12.611 667 HD2 HIS 80 HD2 HIS 80 -11.538 14.334 11.673 668 HE1 HIS 80 HE1 HIS 80 -8.467 11.488 12.334 669 HE2 HIS 80 HE2 HIS 80 -10.922 11.836 11.912 670 H HIS 81 H HIS 81 -10.391 18.507 9.904 671 HA HIS 81 HA HIS 81 -9.328 20.697 11.553 672 HB2 HIS 81 2HB HIS 81 -9.792 20.825 8.558 673 HB3 HIS 81 3HB HIS 81 -9.439 22.217 9.580 674 HD1 HIS 81 HD1 HIS 81 -7.054 21.895 10.975 675 HD2 HIS 81 HD2 HIS 81 -7.561 19.747 7.454 676 HE1 HIS 81 HE1 HIS 81 -4.748 21.213 10.270 677 HE2 HIS 81 HE2 HIS 81 -5.067 20.001 8.091 678 H HIS 82 H HIS 82 -10.920 21.909 12.457 679 HA HIS 82 HA HIS 82 -13.557 20.856 12.301 680 HB2 HIS 82 2HB HIS 82 -12.600 21.692 14.406 681 HB3 HIS 82 3HB HIS 82 -12.572 23.324 13.748 682 HD1 HIS 82 HD1 HIS 82 -14.946 20.688 14.983 683 HD2 HIS 82 HD2 HIS 82 -15.006 24.674 13.821 684 HE1 HIS 82 HE1 HIS 82 -17.230 21.530 15.592 685 HE2 HIS 82 HE2 HIS 82 -17.299 23.880 14.708 686 H HIS 83 H HIS 83 -14.444 21.211 10.270 687 HA HIS 83 HA HIS 83 -14.776 23.824 9.151 688 HB2 HIS 83 2HB HIS 83 -16.260 21.231 8.658 689 HB3 HIS 83 3HB HIS 83 -16.543 22.707 7.742 690 HD1 HIS 83 HD1 HIS 83 -15.126 23.032 5.728 691 HD2 HIS 83 HD2 HIS 83 -13.497 20.243 8.343 692 HE1 HIS 83 HE1 HIS 83 -13.138 22.069 4.537 693 HE2 HIS 83 HE2 HIS 83 -12.246 20.300 6.086 694 H HIS 84 H HIS 84 -17.131 24.616 8.717 695 HA HIS 84 HA HIS 84 -19.040 25.560 9.512 696 HB2 HIS 84 2HB HIS 84 -19.570 23.070 9.833 697 HB3 HIS 84 3HB HIS 84 -19.176 23.312 11.529 698 HD1 HIS 84 HD1 HIS 84 -20.751 25.093 12.813 699 HD2 HIS 84 HD2 HIS 84 -22.131 23.732 9.138 700 HE1 HIS 84 HE1 HIS 84 -23.204 25.609 12.786 701 HE2 HIS 84 HE2 HIS 84 -23.989 24.895 10.508 702 H HIS 85 H HIS 85 -16.433 26.270 10.678 703 HA HIS 85 HA HIS 85 -17.005 26.795 13.484 704 HB2 HIS 85 2HB HIS 85 -14.720 27.730 13.599 705 HB3 HIS 85 3HB HIS 85 -14.758 26.079 13.000 706 HD1 HIS 85 HD1 HIS 85 -13.709 25.655 10.736 707 HD2 HIS 85 HD2 HIS 85 -14.042 29.697 11.619 708 HE1 HIS 85 HE1 HIS 85 -12.346 26.833 8.999 709 HE2 HIS 85 HE2 HIS 85 -12.363 29.244 9.710 Start of MODEL 16 1 H1 MET 1 1H MET 1 -2.610 14.191 6.805 2 H2 MET 1 2H MET 1 -3.279 15.132 5.568 3 H3 MET 1 3H MET 1 -1.840 14.284 5.302 4 HA MET 1 HA MET 1 -4.471 13.037 5.868 5 HB2 MET 1 2HB MET 1 -4.083 14.257 3.601 6 HB3 MET 1 3HB MET 1 -2.999 12.926 3.235 7 HG2 MET 1 2HG MET 1 -5.923 12.660 3.909 8 HG3 MET 1 3HG MET 1 -5.239 12.609 2.288 9 HE1 MET 1 3HE MET 1 -3.150 9.301 2.395 10 HE2 MET 1 1HE MET 1 -2.560 10.921 2.756 11 HE3 MET 1 2HE MET 1 -3.667 10.668 1.407 12 H GLU 2 H GLU 2 -4.438 10.770 6.001 13 HA GLU 2 HA GLU 2 -1.782 9.489 5.999 14 HB2 GLU 2 2HB GLU 2 -3.810 9.457 8.235 15 HB3 GLU 2 3HB GLU 2 -2.485 8.303 8.128 16 HG2 GLU 2 2HG GLU 2 -0.857 9.954 8.454 17 HG3 GLU 2 3HG GLU 2 -1.976 11.260 8.075 18 H MET 3 H MET 3 -1.713 7.359 5.401 19 HA MET 3 HA MET 3 -4.214 6.091 4.521 20 HB2 MET 3 2HB MET 3 -3.326 7.541 2.704 21 HB3 MET 3 3HB MET 3 -1.828 6.631 2.733 22 HG2 MET 3 2HG MET 3 -2.953 4.658 1.937 23 HG3 MET 3 3HG MET 3 -4.517 5.467 2.050 24 HE1 MET 3 3HE MET 3 -5.168 4.938 -0.409 25 HE2 MET 3 1HE MET 3 -3.666 4.073 -0.725 26 HE3 MET 3 2HE MET 3 -4.196 5.344 -1.823 27 H ASP 4 H ASP 4 -4.102 4.202 5.627 28 HA ASP 4 HA ASP 4 -1.573 2.793 5.984 29 HB2 ASP 4 2HB ASP 4 -4.352 2.094 6.972 30 HB3 ASP 4 3HB ASP 4 -2.858 1.294 7.448 31 H ILE 5 H ILE 5 -0.941 1.604 4.248 32 HA ILE 5 HA ILE 5 -2.932 0.123 2.672 33 HB ILE 5 HB ILE 5 0.033 0.438 2.125 34 HG12 ILE 5 2HG1 ILE 5 -1.067 2.635 2.120 35 HG13 ILE 5 3HG1 ILE 5 -0.607 2.164 0.489 36 HG21 ILE 5 1HG2 ILE 5 -2.245 -0.468 0.357 37 HG22 ILE 5 2HG2 ILE 5 -0.962 -1.484 1.015 38 HG23 ILE 5 3HG2 ILE 5 -0.576 -0.230 -0.164 39 HD11 ILE 5 3HD1 ILE 5 -2.905 1.541 0.002 40 HD12 ILE 5 1HD1 ILE 5 -2.799 3.210 0.559 41 HD13 ILE 5 2HD1 ILE 5 -3.374 1.955 1.652 42 H ARG 6 H ARG 6 -3.382 -1.877 3.488 43 HA ARG 6 HA ARG 6 -1.112 -3.503 4.443 44 HB2 ARG 6 2HB ARG 6 -2.488 -2.997 6.318 45 HB3 ARG 6 3HB ARG 6 -3.956 -3.400 5.444 46 HG2 ARG 6 2HG ARG 6 -3.648 -5.669 5.685 47 HG3 ARG 6 3HG ARG 6 -1.898 -5.520 5.861 48 HD2 ARG 6 2HD ARG 6 -3.357 -6.101 7.942 49 HD3 ARG 6 3HD ARG 6 -2.031 -4.951 8.096 50 HE ARG 6 HE ARG 6 -3.876 -3.213 7.756 51 HH11 ARG 6 1HH1 ARG 6 -4.389 -6.229 9.353 52 HH12 ARG 6 2HH1 ARG 6 -5.622 -5.583 10.377 53 HH21 ARG 6 1HH2 ARG 6 -5.440 -2.418 9.074 54 HH22 ARG 6 2HH2 ARG 6 -6.198 -3.458 10.234 55 H PHE 7 H PHE 7 -0.603 -5.096 3.149 56 HA PHE 7 HA PHE 7 -2.568 -6.221 1.283 57 HB2 PHE 7 2HB PHE 7 0.446 -6.472 1.445 58 HB3 PHE 7 3HB PHE 7 -0.538 -7.362 0.288 59 HD1 PHE 7 HD1 PHE 7 -1.729 -6.161 -1.509 60 HD2 PHE 7 HD2 PHE 7 0.950 -4.146 1.123 61 HE1 PHE 7 HE1 PHE 7 -1.599 -4.275 -3.087 62 HE2 PHE 7 HE2 PHE 7 1.074 -2.257 -0.450 63 HZ PHE 7 HZ PHE 7 -0.204 -2.319 -2.553 64 H ARG 8 H ARG 8 -3.144 -8.364 1.233 65 HA ARG 8 HA ARG 8 -1.992 -10.204 3.202 66 HB2 ARG 8 2HB ARG 8 -3.906 -9.228 4.343 67 HB3 ARG 8 3HB ARG 8 -4.945 -9.568 2.966 68 HG2 ARG 8 2HG ARG 8 -5.343 -11.155 4.753 69 HG3 ARG 8 3HG ARG 8 -4.663 -11.971 3.344 70 HD2 ARG 8 2HD ARG 8 -2.434 -11.902 4.421 71 HD3 ARG 8 3HD ARG 8 -3.170 -11.169 5.850 72 HE ARG 8 HE ARG 8 -4.439 -13.235 6.128 73 HH11 ARG 8 1HH1 ARG 8 -1.618 -13.349 4.154 74 HH12 ARG 8 2HH1 ARG 8 -1.512 -15.072 4.223 75 HH21 ARG 8 1HH2 ARG 8 -4.271 -15.429 6.232 76 HH22 ARG 8 2HH2 ARG 8 -2.980 -16.235 5.411 77 H GLY 9 H GLY 9 -1.451 -12.038 2.175 78 HA2 GLY 9 2HA GLY 9 -3.216 -13.647 0.728 79 HA3 GLY 9 3HA GLY 9 -2.323 -12.696 -0.447 80 H ASP 10 H ASP 10 -1.626 -14.899 -1.159 81 HA ASP 10 HA ASP 10 0.687 -15.820 0.428 82 HB2 ASP 10 2HB ASP 10 -1.125 -17.465 0.544 83 HB3 ASP 10 3HB ASP 10 -1.203 -17.524 -1.215 84 H ASP 11 H ASP 11 2.351 -14.900 -0.633 85 HA ASP 11 HA ASP 11 3.352 -16.128 -2.940 86 HB2 ASP 11 2HB ASP 11 1.625 -14.733 -4.087 87 HB3 ASP 11 3HB ASP 11 2.413 -13.289 -3.455 88 H LEU 12 H LEU 12 5.538 -15.647 -3.243 89 HA LEU 12 HA LEU 12 6.787 -14.416 -0.968 90 HB2 LEU 12 2HB LEU 12 7.633 -16.479 -2.084 91 HB3 LEU 12 3HB LEU 12 8.079 -15.505 -3.472 92 HG LEU 12 HG LEU 12 9.669 -14.234 -2.061 93 HD11 LEU 12 1HD1 LEU 12 8.869 -16.196 0.090 94 HD12 LEU 12 2HD1 LEU 12 8.573 -14.456 0.091 95 HD13 LEU 12 3HD1 LEU 12 10.223 -15.067 0.184 96 HD21 LEU 12 3HD2 LEU 12 10.456 -16.171 -3.326 97 HD22 LEU 12 1HD2 LEU 12 10.063 -17.230 -1.970 98 HD23 LEU 12 2HD2 LEU 12 11.330 -16.013 -1.803 99 H GLU 13 H GLU 13 6.619 -13.608 -4.444 100 HA GLU 13 HA GLU 13 8.296 -11.289 -4.184 101 HB2 GLU 13 2HB GLU 13 6.483 -12.229 -6.410 102 HB3 GLU 13 3HB GLU 13 7.430 -10.751 -6.509 103 HG2 GLU 13 2HG GLU 13 8.584 -12.504 -7.661 104 HG3 GLU 13 3HG GLU 13 9.486 -12.080 -6.211 105 H ALA 14 H ALA 14 4.901 -11.871 -3.812 106 HA ALA 14 HA ALA 14 3.760 -9.479 -4.570 107 HB1 ALA 14 3HB ALA 14 2.909 -11.232 -2.268 108 HB2 ALA 14 1HB ALA 14 2.481 -11.466 -3.963 109 HB3 ALA 14 2HB ALA 14 1.901 -10.044 -3.095 110 H PHE 15 H PHE 15 5.072 -10.246 -1.329 111 HA PHE 15 HA PHE 15 4.221 -7.880 -0.076 112 HB2 PHE 15 2HB PHE 15 6.573 -9.667 0.586 113 HB3 PHE 15 3HB PHE 15 5.953 -8.401 1.642 114 HD1 PHE 15 HD1 PHE 15 3.780 -8.646 2.740 115 HD2 PHE 15 HD2 PHE 15 5.395 -11.763 0.320 116 HE1 PHE 15 HE1 PHE 15 2.169 -10.232 3.707 117 HE2 PHE 15 HE2 PHE 15 3.784 -13.348 1.289 118 HZ PHE 15 HZ PHE 15 2.171 -12.583 2.985 119 H GLU 16 H GLU 16 7.571 -8.624 -1.154 120 HA GLU 16 HA GLU 16 8.489 -5.990 -0.737 121 HB2 GLU 16 2HB GLU 16 9.657 -8.222 -2.406 122 HB3 GLU 16 3HB GLU 16 10.469 -6.690 -2.128 123 HG2 GLU 16 2HG GLU 16 11.442 -7.899 -0.474 124 HG3 GLU 16 3HG GLU 16 10.032 -7.326 0.411 125 H LYS 17 H LYS 17 7.246 -7.556 -3.681 126 HA LYS 17 HA LYS 17 7.963 -5.458 -5.449 127 HB2 LYS 17 2HB LYS 17 6.340 -7.900 -5.605 128 HB3 LYS 17 3HB LYS 17 5.760 -6.613 -6.648 129 HG2 LYS 17 2HG LYS 17 8.591 -7.661 -6.626 130 HG3 LYS 17 3HG LYS 17 7.339 -8.149 -7.772 131 HD2 LYS 17 2HD LYS 17 8.420 -5.341 -7.409 132 HD3 LYS 17 3HD LYS 17 8.807 -6.432 -8.740 133 HE2 LYS 17 2HE LYS 17 6.450 -6.434 -9.421 134 HE3 LYS 17 3HE LYS 17 6.062 -5.349 -8.089 135 HZ1 LYS 17 3HZ LYS 17 7.425 -3.654 -9.077 136 HZ2 LYS 17 1HZ LYS 17 6.298 -4.196 -10.215 137 HZ3 LYS 17 2HZ LYS 17 7.911 -4.695 -10.316 138 H ALA 18 H ALA 18 4.777 -6.175 -3.945 139 HA ALA 18 HA ALA 18 3.448 -3.908 -4.947 140 HB1 ALA 18 3HB ALA 18 1.815 -4.276 -3.162 141 HB2 ALA 18 1HB ALA 18 2.932 -5.377 -2.356 142 HB3 ALA 18 2HB ALA 18 2.266 -5.793 -3.935 143 H LEU 19 H LEU 19 5.300 -4.381 -1.970 144 HA LEU 19 HA LEU 19 5.002 -1.803 -0.875 145 HB2 LEU 19 2HB LEU 19 5.862 -3.680 0.404 146 HB3 LEU 19 3HB LEU 19 7.252 -3.809 -0.657 147 HG LEU 19 HG LEU 19 8.011 -1.572 0.132 148 HD11 LEU 19 1HD1 LEU 19 5.765 -1.854 2.131 149 HD12 LEU 19 2HD1 LEU 19 5.857 -0.663 0.834 150 HD13 LEU 19 3HD1 LEU 19 7.024 -0.619 2.154 151 HD21 LEU 19 3HD2 LEU 19 8.816 -2.354 2.295 152 HD22 LEU 19 1HD2 LEU 19 8.906 -3.635 1.087 153 HD23 LEU 19 2HD2 LEU 19 7.615 -3.646 2.291 154 H LYS 20 H LYS 20 7.351 -3.117 -3.173 155 HA LYS 20 HA LYS 20 9.191 -1.028 -3.246 156 HB2 LYS 20 2HB LYS 20 9.541 -3.254 -4.259 157 HB3 LYS 20 3HB LYS 20 8.374 -2.865 -5.512 158 HG2 LYS 20 2HG LYS 20 10.658 -2.645 -6.321 159 HG3 LYS 20 3HG LYS 20 9.829 -1.086 -6.334 160 HD2 LYS 20 2HD LYS 20 10.986 -0.373 -4.362 161 HD3 LYS 20 3HD LYS 20 11.640 -1.989 -4.091 162 HE2 LYS 20 2HE LYS 20 12.288 -0.213 -6.451 163 HE3 LYS 20 3HE LYS 20 13.314 -0.447 -5.034 164 HZ1 LYS 20 3HZ LYS 20 12.519 -2.533 -6.997 165 HZ2 LYS 20 1HZ LYS 20 13.404 -2.829 -5.585 166 HZ3 LYS 20 2HZ LYS 20 14.060 -1.863 -6.800 167 H GLU 21 H GLU 21 6.333 -1.530 -5.325 168 HA GLU 21 HA GLU 21 6.656 0.757 -6.918 169 HB2 GLU 21 2HB GLU 21 4.032 -0.533 -6.132 170 HB3 GLU 21 3HB GLU 21 4.322 0.474 -7.543 171 HG2 GLU 21 2HG GLU 21 5.421 -2.283 -7.015 172 HG3 GLU 21 3HG GLU 21 4.220 -1.823 -8.220 173 H MET 22 H MET 22 4.828 0.314 -3.899 174 HA MET 22 HA MET 22 3.740 2.902 -3.733 175 HB2 MET 22 2HB MET 22 4.474 0.997 -1.500 176 HB3 MET 22 3HB MET 22 3.456 2.420 -1.316 177 HG2 MET 22 2HG MET 22 2.852 -0.002 -3.007 178 HG3 MET 22 3HG MET 22 2.109 0.412 -1.463 179 HE1 MET 22 3HE MET 22 1.686 3.556 -1.712 180 HE2 MET 22 1HE MET 22 0.451 2.453 -1.107 181 HE3 MET 22 2HE MET 22 0.051 3.618 -2.370 182 H ILE 23 H ILE 23 6.739 1.601 -2.266 183 HA ILE 23 HA ILE 23 7.557 4.024 -1.059 184 HB ILE 23 HB ILE 23 9.265 1.698 -1.971 185 HG12 ILE 23 2HG1 ILE 23 8.076 2.378 0.737 186 HG13 ILE 23 3HG1 ILE 23 7.581 1.052 -0.312 187 HG21 ILE 23 1HG2 ILE 23 9.943 3.978 -0.108 188 HG22 ILE 23 2HG2 ILE 23 10.628 3.699 -1.708 189 HG23 ILE 23 3HG2 ILE 23 10.957 2.564 -0.400 190 HD11 ILE 23 3HD1 ILE 23 10.263 1.346 1.021 191 HD12 ILE 23 1HD1 ILE 23 9.781 0.024 -0.042 192 HD13 ILE 23 2HD1 ILE 23 8.965 0.255 1.504 193 H ARG 24 H ARG 24 8.162 2.675 -4.279 194 HA ARG 24 HA ARG 24 10.090 4.433 -5.233 195 HB2 ARG 24 2HB ARG 24 9.425 2.526 -6.547 196 HB3 ARG 24 3HB ARG 24 7.776 3.122 -6.679 197 HG2 ARG 24 2HG ARG 24 8.919 3.473 -8.764 198 HG3 ARG 24 3HG ARG 24 8.601 5.036 -8.010 199 HD2 ARG 24 2HD ARG 24 10.951 4.997 -7.130 200 HD3 ARG 24 3HD ARG 24 11.227 3.540 -8.086 201 HE ARG 24 HE ARG 24 10.583 6.189 -9.216 202 HH11 ARG 24 1HH1 ARG 24 12.051 3.080 -9.492 203 HH12 ARG 24 2HH1 ARG 24 12.822 3.464 -10.991 204 HH21 ARG 24 1HH2 ARG 24 11.562 6.651 -11.140 205 HH22 ARG 24 2HH2 ARG 24 12.536 5.451 -11.920 206 H GLN 25 H GLN 25 6.545 4.820 -5.303 207 HA GLN 25 HA GLN 25 6.669 7.451 -6.444 208 HB2 GLN 25 2HB GLN 25 4.347 6.155 -4.994 209 HB3 GLN 25 3HB GLN 25 4.269 7.532 -6.085 210 HG2 GLN 25 2HG GLN 25 4.992 4.696 -6.817 211 HG3 GLN 25 3HG GLN 25 3.492 5.537 -7.201 212 HE21 GLN 25 1HE2 GLN 25 5.502 4.298 -8.957 213 HE22 GLN 25 2HE2 GLN 25 5.999 5.543 -10.043 214 H ALA 26 H ALA 26 6.270 6.175 -3.162 215 HA ALA 26 HA ALA 26 5.674 8.556 -1.816 216 HB1 ALA 26 3HB ALA 26 7.224 6.192 -0.762 217 HB2 ALA 26 1HB ALA 26 5.465 6.320 -0.828 218 HB3 ALA 26 2HB ALA 26 6.392 7.413 0.201 219 H ARG 27 H ARG 27 8.827 7.168 -2.656 220 HA ARG 27 HA ARG 27 10.491 8.984 -1.308 221 HB2 ARG 27 2HB ARG 27 10.880 7.380 -3.837 222 HB3 ARG 27 3HB ARG 27 12.161 8.377 -3.158 223 HG2 ARG 27 2HG ARG 27 12.228 7.061 -1.163 224 HG3 ARG 27 3HG ARG 27 10.777 6.176 -1.632 225 HD2 ARG 27 2HD ARG 27 12.903 4.908 -1.970 226 HD3 ARG 27 3HD ARG 27 11.932 5.091 -3.429 227 HE ARG 27 HE ARG 27 13.598 6.377 -4.357 228 HH11 ARG 27 1HH1 ARG 27 14.278 5.908 -1.006 229 HH12 ARG 27 2HH1 ARG 27 15.877 6.544 -1.137 230 HH21 ARG 27 1HH2 ARG 27 15.660 7.117 -4.518 231 HH22 ARG 27 2HH2 ARG 27 16.668 7.196 -3.113 232 H LYS 28 H LYS 28 8.711 9.300 -4.291 233 HA LYS 28 HA LYS 28 10.051 11.624 -5.281 234 HB2 LYS 28 2HB LYS 28 7.304 10.506 -5.892 235 HB3 LYS 28 3HB LYS 28 8.094 11.785 -6.806 236 HG2 LYS 28 2HG LYS 28 9.736 10.320 -7.649 237 HG3 LYS 28 3HG LYS 28 9.347 9.071 -6.463 238 HD2 LYS 28 2HD LYS 28 8.493 8.550 -8.731 239 HD3 LYS 28 3HD LYS 28 7.213 8.661 -7.521 240 HE2 LYS 28 2HE LYS 28 6.738 10.963 -8.274 241 HE3 LYS 28 3HE LYS 28 7.977 10.796 -9.517 242 HZ1 LYS 28 3HZ LYS 28 5.485 9.197 -9.286 243 HZ2 LYS 28 1HZ LYS 28 6.698 8.936 -10.434 244 HZ3 LYS 28 2HZ LYS 28 5.822 10.379 -10.446 245 H PHE 29 H PHE 29 7.823 11.164 -2.750 246 HA PHE 29 HA PHE 29 7.072 14.022 -2.751 247 HB2 PHE 29 2HB PHE 29 5.761 11.676 -1.348 248 HB3 PHE 29 3HB PHE 29 5.253 13.352 -1.184 249 HD1 PHE 29 HD1 PHE 29 4.275 14.543 -3.130 250 HD2 PHE 29 HD2 PHE 29 5.121 10.369 -3.233 251 HE1 PHE 29 HE1 PHE 29 2.796 14.290 -5.077 252 HE2 PHE 29 HE2 PHE 29 3.645 10.113 -5.183 253 HZ PHE 29 HZ PHE 29 2.479 12.077 -6.108 254 H ALA 30 H ALA 30 6.546 14.632 -0.253 255 HA ALA 30 HA ALA 30 9.081 14.246 1.177 256 HB1 ALA 30 3HB ALA 30 8.437 16.178 2.500 257 HB2 ALA 30 1HB ALA 30 6.850 16.204 1.729 258 HB3 ALA 30 2HB ALA 30 8.297 16.545 0.780 259 H GLY 31 H GLY 31 5.930 13.033 1.215 260 HA2 GLY 31 2HA GLY 31 5.461 12.694 3.985 261 HA3 GLY 31 3HA GLY 31 4.724 11.759 2.698 262 H THR 32 H THR 32 5.645 10.875 5.324 263 HA THR 32 HA THR 32 7.950 9.166 4.699 264 HB THR 32 HB THR 32 6.542 9.603 7.348 265 HG1 THR 32 HG1 THR 32 8.725 10.639 7.738 266 HG21 THR 32 3HG2 THR 32 7.625 7.404 7.232 267 HG22 THR 32 1HG2 THR 32 8.483 8.477 8.340 268 HG23 THR 32 2HG2 THR 32 9.133 8.171 6.730 269 H VAL 33 H VAL 33 7.882 6.939 4.764 270 HA VAL 33 HA VAL 33 5.255 5.653 5.160 271 HB VAL 33 HB VAL 33 7.270 4.999 2.991 272 HG11 VAL 33 1HG1 VAL 33 5.642 3.333 2.220 273 HG12 VAL 33 2HG1 VAL 33 4.627 3.679 3.621 274 HG13 VAL 33 3HG1 VAL 33 6.225 2.969 3.844 275 HG21 VAL 33 3HG2 VAL 33 4.477 6.137 2.807 276 HG22 VAL 33 1HG2 VAL 33 5.482 5.661 1.436 277 HG23 VAL 33 2HG2 VAL 33 5.981 6.995 2.476 278 H THR 34 H THR 34 5.286 3.938 6.527 279 HA THR 34 HA THR 34 7.840 2.515 6.955 280 HB THR 34 HB THR 34 7.534 3.969 8.889 281 HG1 THR 34 HG1 THR 34 8.451 1.977 9.361 282 HG21 THR 34 3HG2 THR 34 5.091 4.230 8.810 283 HG22 THR 34 1HG2 THR 34 5.631 3.713 10.408 284 HG23 THR 34 2HG2 THR 34 4.895 2.549 9.307 285 H TYR 35 H TYR 35 7.686 0.285 7.236 286 HA TYR 35 HA TYR 35 4.987 -0.875 6.961 287 HB2 TYR 35 2HB TYR 35 5.940 -2.483 5.281 288 HB3 TYR 35 3HB TYR 35 5.815 -0.819 4.727 289 HD1 TYR 35 HD2 TYR 35 7.825 0.531 4.371 290 HD2 TYR 35 HD1 TYR 35 8.119 -3.537 5.602 291 HE1 TYR 35 HE2 TYR 35 10.193 0.514 3.726 292 HE2 TYR 35 HE1 TYR 35 10.494 -3.561 4.957 293 HH TYR 35 HH TYR 35 12.238 -0.726 4.257 294 H THR 36 H THR 36 4.731 -3.032 7.651 295 HA THR 36 HA THR 36 6.957 -4.236 9.158 296 HB THR 36 HB THR 36 5.741 -3.102 10.880 297 HG1 THR 36 HG1 THR 36 4.582 -5.247 11.737 298 HG21 THR 36 3HG2 THR 36 3.644 -2.701 9.675 299 HG22 THR 36 1HG2 THR 36 3.337 -3.416 11.258 300 HG23 THR 36 2HG2 THR 36 3.234 -4.412 9.807 301 H LEU 37 H LEU 37 7.132 -6.386 8.877 302 HA LEU 37 HA LEU 37 5.030 -7.777 7.359 303 HB2 LEU 37 2HB LEU 37 7.971 -8.308 7.732 304 HB3 LEU 37 3HB LEU 37 6.898 -9.547 7.119 305 HG LEU 37 HG LEU 37 8.033 -8.486 5.276 306 HD11 LEU 37 1HD1 LEU 37 6.115 -7.762 3.939 307 HD12 LEU 37 2HD1 LEU 37 5.141 -7.652 5.405 308 HD13 LEU 37 3HD1 LEU 37 5.764 -9.215 4.874 309 HD21 LEU 37 3HD2 LEU 37 6.859 -5.880 6.251 310 HD22 LEU 37 1HD2 LEU 37 7.770 -6.114 4.758 311 HD23 LEU 37 2HD2 LEU 37 8.560 -6.343 6.316 312 H ASP 38 H ASP 38 3.722 -9.129 8.393 313 HA ASP 38 HA ASP 38 4.759 -10.597 10.735 314 HB2 ASP 38 2HB ASP 38 3.007 -8.932 11.343 315 HB3 ASP 38 3HB ASP 38 1.884 -9.757 10.265 316 H GLY 39 H GLY 39 5.483 -12.271 9.368 317 HA2 GLY 39 2HA GLY 39 5.335 -14.279 8.269 318 HA3 GLY 39 3HA GLY 39 3.709 -14.400 8.912 319 H ASN 40 H ASN 40 1.992 -14.079 7.576 320 HA ASN 40 HA ASN 40 2.594 -13.530 4.740 321 HB2 ASN 40 2HB ASN 40 0.292 -15.064 5.974 322 HB3 ASN 40 3HB ASN 40 0.533 -14.808 4.247 323 HD21 ASN 40 1HD2 ASN 40 0.429 -17.283 5.802 324 HD22 ASN 40 2HD2 ASN 40 1.914 -18.101 5.479 325 H ASP 41 H ASP 41 1.944 -11.606 6.994 326 HA ASP 41 HA ASP 41 -0.241 -10.169 5.619 327 HB2 ASP 41 2HB ASP 41 -0.941 -11.148 7.824 328 HB3 ASP 41 3HB ASP 41 0.291 -10.163 8.606 329 H LEU 42 H LEU 42 0.086 -7.951 5.304 330 HA LEU 42 HA LEU 42 2.620 -6.795 6.289 331 HB2 LEU 42 2HB LEU 42 3.158 -7.524 4.087 332 HB3 LEU 42 3HB LEU 42 1.647 -6.914 3.437 333 HG LEU 42 HG LEU 42 2.418 -4.602 3.775 334 HD11 LEU 42 1HD1 LEU 42 4.739 -4.138 4.392 335 HD12 LEU 42 2HD1 LEU 42 4.997 -5.851 4.723 336 HD13 LEU 42 3HD1 LEU 42 3.861 -4.923 5.703 337 HD21 LEU 42 3HD2 LEU 42 4.361 -6.324 2.234 338 HD22 LEU 42 1HD2 LEU 42 4.169 -4.578 2.051 339 HD23 LEU 42 2HD2 LEU 42 2.841 -5.660 1.633 340 H GLU 43 H GLU 43 2.181 -4.978 7.376 341 HA GLU 43 HA GLU 43 -0.043 -3.249 6.470 342 HB2 GLU 43 2HB GLU 43 -0.320 -3.956 8.769 343 HB3 GLU 43 3HB GLU 43 1.321 -3.470 9.165 344 HG2 GLU 43 2HG GLU 43 -0.124 -1.824 10.059 345 HG3 GLU 43 3HG GLU 43 0.658 -1.104 8.657 346 H ILE 44 H ILE 44 0.389 -1.241 5.708 347 HA ILE 44 HA ILE 44 3.133 -0.164 6.029 348 HB ILE 44 HB ILE 44 1.435 0.073 3.528 349 HG12 ILE 44 2HG1 ILE 44 3.919 -1.620 3.938 350 HG13 ILE 44 3HG1 ILE 44 2.276 -2.253 3.922 351 HG21 ILE 44 1HG2 ILE 44 2.931 1.968 3.880 352 HG22 ILE 44 2HG2 ILE 44 3.469 0.995 2.512 353 HG23 ILE 44 3HG2 ILE 44 4.299 0.870 4.063 354 HD11 ILE 44 3HD1 ILE 44 3.639 -0.857 1.628 355 HD12 ILE 44 1HD1 ILE 44 2.009 -1.532 1.613 356 HD13 ILE 44 2HD1 ILE 44 3.404 -2.597 1.794 357 H ARG 45 H ARG 45 2.906 1.592 7.326 358 HA ARG 45 HA ARG 45 0.486 3.224 7.156 359 HB2 ARG 45 2HB ARG 45 1.174 2.594 9.386 360 HB3 ARG 45 3HB ARG 45 2.792 3.228 9.118 361 HG2 ARG 45 2HG ARG 45 2.001 5.475 9.106 362 HG3 ARG 45 3HG ARG 45 0.317 4.945 9.081 363 HD2 ARG 45 2HD ARG 45 1.064 5.735 11.310 364 HD3 ARG 45 3HD ARG 45 0.505 4.064 11.315 365 HE ARG 45 HE ARG 45 2.856 3.386 11.380 366 HH11 ARG 45 1HH1 ARG 45 2.185 6.679 12.141 367 HH12 ARG 45 2HH1 ARG 45 3.554 6.833 13.184 368 HH21 ARG 45 1HH2 ARG 45 4.616 3.587 12.707 369 HH22 ARG 45 2HH2 ARG 45 4.946 5.103 13.476 370 H ILE 46 H ILE 46 0.498 4.716 5.602 371 HA ILE 46 HA ILE 46 2.955 6.233 5.008 372 HB ILE 46 HB ILE 46 0.361 6.078 3.447 373 HG12 ILE 46 2HG1 ILE 46 3.047 4.760 2.929 374 HG13 ILE 46 3HG1 ILE 46 1.583 3.937 3.457 375 HG21 ILE 46 1HG2 ILE 46 1.579 7.202 1.655 376 HG22 ILE 46 2HG2 ILE 46 3.011 7.309 2.676 377 HG23 ILE 46 3HG2 ILE 46 1.552 8.197 3.110 378 HD11 ILE 46 3HD1 ILE 46 0.494 4.543 1.347 379 HD12 ILE 46 1HD1 ILE 46 1.963 3.600 1.092 380 HD13 ILE 46 2HD1 ILE 46 1.977 5.342 0.822 381 H THR 47 H THR 47 3.102 8.413 5.366 382 HA THR 47 HA THR 47 0.685 9.956 6.004 383 HB THR 47 HB THR 47 3.101 9.867 7.837 384 HG1 THR 47 HG1 THR 47 0.701 8.535 7.841 385 HG21 THR 47 3HG2 THR 47 2.191 12.133 7.682 386 HG22 THR 47 1HG2 THR 47 1.842 11.429 9.261 387 HG23 THR 47 2HG2 THR 47 0.576 11.521 8.037 388 H GLY 48 H GLY 48 0.719 11.783 4.809 389 HA2 GLY 48 2HA GLY 48 2.093 13.935 4.728 390 HA3 GLY 48 3HA GLY 48 3.354 12.920 4.058 391 H VAL 49 H VAL 49 1.310 11.383 2.458 392 HA VAL 49 HA VAL 49 1.437 13.016 0.120 393 HB VAL 49 HB VAL 49 0.163 11.200 -0.997 394 HG11 VAL 49 1HG1 VAL 49 2.489 10.262 0.693 395 HG12 VAL 49 2HG1 VAL 49 2.598 11.095 -0.859 396 HG13 VAL 49 3HG1 VAL 49 1.896 9.480 -0.775 397 HG21 VAL 49 3HG2 VAL 49 -0.367 9.146 0.227 398 HG22 VAL 49 1HG2 VAL 49 -1.256 10.520 0.882 399 HG23 VAL 49 2HG2 VAL 49 0.158 9.898 1.734 400 HA PRO 50 HA PRO 50 -2.300 15.347 0.680 401 HB2 PRO 50 2HB PRO 50 -2.661 16.209 -1.884 402 HB3 PRO 50 3HB PRO 50 -1.433 16.870 -0.800 403 HG2 PRO 50 2HG PRO 50 -1.142 14.809 -2.955 404 HG3 PRO 50 3HG PRO 50 -0.091 16.189 -2.578 405 HD2 PRO 50 2HD PRO 50 0.510 13.672 -1.795 406 HD3 PRO 50 3HD PRO 50 0.933 15.092 -0.817 407 H GLU 51 H GLU 51 -4.540 15.347 0.213 408 HA GLU 51 HA GLU 51 -5.656 12.811 -0.050 409 HB2 GLU 51 2HB GLU 51 -7.865 14.211 -0.382 410 HB3 GLU 51 3HB GLU 51 -7.023 14.182 1.158 411 HG2 GLU 51 2HG GLU 51 -7.724 16.425 0.663 412 HG3 GLU 51 3HG GLU 51 -5.970 16.337 0.618 413 H GLN 52 H GLN 52 -5.131 15.213 -2.563 414 HA GLN 52 HA GLN 52 -6.816 13.984 -4.506 415 HB2 GLN 52 2HB GLN 52 -5.597 15.427 -6.136 416 HB3 GLN 52 3HB GLN 52 -6.270 16.299 -4.766 417 HG2 GLN 52 2HG GLN 52 -4.062 16.382 -3.723 418 HG3 GLN 52 3HG GLN 52 -3.379 15.490 -5.084 419 HE21 GLN 52 1HE2 GLN 52 -1.971 17.176 -5.580 420 HE22 GLN 52 2HE2 GLN 52 -2.517 18.636 -6.320 421 H VAL 53 H VAL 53 -3.402 13.557 -3.685 422 HA VAL 53 HA VAL 53 -2.917 11.781 -5.924 423 HB VAL 53 HB VAL 53 -1.222 12.330 -3.470 424 HG11 VAL 53 1HG1 VAL 53 -0.513 10.881 -6.027 425 HG12 VAL 53 2HG1 VAL 53 -0.669 10.161 -4.424 426 HG13 VAL 53 3HG1 VAL 53 0.622 11.316 -4.747 427 HG21 VAL 53 3HG2 VAL 53 -0.995 13.408 -6.288 428 HG22 VAL 53 1HG2 VAL 53 0.116 13.738 -4.957 429 HG23 VAL 53 2HG2 VAL 53 -1.550 14.310 -4.876 430 H ARG 54 H ARG 54 -3.812 11.524 -2.571 431 HA ARG 54 HA ARG 54 -3.361 8.898 -1.927 432 HB2 ARG 54 2HB ARG 54 -4.201 10.354 -0.276 433 HB3 ARG 54 3HB ARG 54 -5.593 10.798 -1.243 434 HG2 ARG 54 2HG ARG 54 -5.313 7.981 -0.270 435 HG3 ARG 54 3HG ARG 54 -5.859 9.241 0.837 436 HD2 ARG 54 2HD ARG 54 -7.181 8.243 -1.676 437 HD3 ARG 54 3HD ARG 54 -7.837 8.334 -0.042 438 HE ARG 54 HE ARG 54 -7.171 10.883 -1.220 439 HH11 ARG 54 1HH1 ARG 54 -9.644 8.519 -0.782 440 HH12 ARG 54 2HH1 ARG 54 -10.917 9.646 -1.083 441 HH21 ARG 54 1HH2 ARG 54 -8.803 12.310 -1.610 442 HH22 ARG 54 2HH2 ARG 54 -10.447 11.782 -1.542 443 H LYS 55 H LYS 55 -6.167 10.142 -3.783 444 HA LYS 55 HA LYS 55 -7.462 7.632 -4.029 445 HB2 LYS 55 2HB LYS 55 -8.791 8.675 -5.822 446 HB3 LYS 55 3HB LYS 55 -8.687 9.699 -4.397 447 HG2 LYS 55 2HG LYS 55 -7.010 11.086 -5.477 448 HG3 LYS 55 3HG LYS 55 -7.023 10.033 -6.892 449 HD2 LYS 55 2HD LYS 55 -9.383 11.628 -5.876 450 HD3 LYS 55 3HD LYS 55 -8.350 12.085 -7.229 451 HE2 LYS 55 2HE LYS 55 -10.000 9.558 -7.093 452 HE3 LYS 55 3HE LYS 55 -10.484 11.032 -7.931 453 HZ1 LYS 55 3HZ LYS 55 -8.039 9.464 -8.560 454 HZ2 LYS 55 1HZ LYS 55 -8.622 10.802 -9.404 455 HZ3 LYS 55 2HZ LYS 55 -9.493 9.356 -9.412 456 H GLU 56 H GLU 56 -4.924 9.150 -5.911 457 HA GLU 56 HA GLU 56 -5.015 7.353 -8.131 458 HB2 GLU 56 2HB GLU 56 -2.626 8.951 -7.175 459 HB3 GLU 56 3HB GLU 56 -2.914 8.339 -8.797 460 HG2 GLU 56 2HG GLU 56 -4.502 10.496 -7.407 461 HG3 GLU 56 3HG GLU 56 -3.292 10.742 -8.663 462 H LEU 57 H LEU 57 -3.040 7.536 -5.175 463 HA LEU 57 HA LEU 57 -1.502 5.213 -5.613 464 HB2 LEU 57 2HB LEU 57 -2.357 6.460 -2.997 465 HB3 LEU 57 3HB LEU 57 -1.084 5.268 -3.180 466 HG LEU 57 HG LEU 57 -1.057 8.071 -4.322 467 HD11 LEU 57 1HD1 LEU 57 -0.760 8.028 -1.896 468 HD12 LEU 57 2HD1 LEU 57 0.737 8.476 -2.711 469 HD13 LEU 57 3HD1 LEU 57 0.540 6.845 -2.068 470 HD21 LEU 57 3HD2 LEU 57 1.263 7.572 -4.961 471 HD22 LEU 57 1HD2 LEU 57 0.116 6.518 -5.788 472 HD23 LEU 57 2HD2 LEU 57 1.050 5.907 -4.423 473 H ALA 58 H ALA 58 -4.682 5.686 -4.144 474 HA ALA 58 HA ALA 58 -5.098 3.094 -3.135 475 HB1 ALA 58 3HB ALA 58 -6.535 5.022 -2.594 476 HB2 ALA 58 1HB ALA 58 -7.472 3.634 -3.152 477 HB3 ALA 58 2HB ALA 58 -7.176 4.994 -4.237 478 H LYS 59 H LYS 59 -5.860 4.471 -6.325 479 HA LYS 59 HA LYS 59 -7.035 2.221 -7.497 480 HB2 LYS 59 2HB LYS 59 -7.050 4.472 -8.513 481 HB3 LYS 59 3HB LYS 59 -5.324 4.344 -8.821 482 HG2 LYS 59 2HG LYS 59 -5.763 2.412 -10.307 483 HG3 LYS 59 3HG LYS 59 -7.494 2.637 -10.043 484 HD2 LYS 59 2HD LYS 59 -5.601 4.633 -11.301 485 HD3 LYS 59 3HD LYS 59 -6.792 3.650 -12.152 486 HE2 LYS 59 2HE LYS 59 -8.586 4.769 -10.874 487 HE3 LYS 59 3HE LYS 59 -7.375 5.785 -10.095 488 HZ1 LYS 59 3HZ LYS 59 -7.961 5.700 -13.002 489 HZ2 LYS 59 1HZ LYS 59 -6.777 6.661 -12.272 490 HZ3 LYS 59 2HZ LYS 59 -8.411 6.932 -11.935 491 H GLU 60 H GLU 60 -3.621 3.188 -7.319 492 HA GLU 60 HA GLU 60 -2.587 1.032 -8.848 493 HB2 GLU 60 2HB GLU 60 -1.373 3.166 -8.343 494 HB3 GLU 60 3HB GLU 60 -1.169 2.612 -6.688 495 HG2 GLU 60 2HG GLU 60 0.860 2.178 -7.841 496 HG3 GLU 60 3HG GLU 60 0.066 0.627 -7.581 497 H ALA 61 H ALA 61 -3.037 1.482 -5.348 498 HA ALA 61 HA ALA 61 -1.852 -0.857 -4.414 499 HB1 ALA 61 3HB ALA 61 -2.615 0.932 -2.934 500 HB2 ALA 61 1HB ALA 61 -3.283 -0.624 -2.438 501 HB3 ALA 61 2HB ALA 61 -4.293 0.535 -3.303 502 H GLU 62 H GLU 62 -5.221 -0.355 -5.477 503 HA GLU 62 HA GLU 62 -6.074 -3.028 -5.106 504 HB2 GLU 62 2HB GLU 62 -7.116 -0.991 -7.094 505 HB3 GLU 62 3HB GLU 62 -7.960 -2.441 -6.560 506 HG2 GLU 62 2HG GLU 62 -8.009 -1.540 -4.266 507 HG3 GLU 62 3HG GLU 62 -7.221 -0.073 -4.843 508 H ARG 63 H ARG 63 -4.557 -1.377 -7.839 509 HA ARG 63 HA ARG 63 -4.719 -3.406 -9.771 510 HB2 ARG 63 2HB ARG 63 -3.904 -1.029 -10.118 511 HB3 ARG 63 3HB ARG 63 -2.382 -1.512 -9.385 512 HG2 ARG 63 2HG ARG 63 -1.930 -1.685 -11.648 513 HG3 ARG 63 3HG ARG 63 -2.348 -3.345 -11.218 514 HD2 ARG 63 2HD ARG 63 -3.464 -2.791 -13.269 515 HD3 ARG 63 3HD ARG 63 -4.679 -2.894 -11.992 516 HE ARG 63 HE ARG 63 -3.572 -0.281 -12.758 517 HH11 ARG 63 1HH1 ARG 63 -6.275 -2.406 -12.552 518 HH12 ARG 63 2HH1 ARG 63 -7.414 -1.158 -12.917 519 HH21 ARG 63 1HH2 ARG 63 -5.047 1.298 -13.231 520 HH22 ARG 63 2HH2 ARG 63 -6.731 0.905 -13.311 521 H LEU 64 H LEU 64 -2.203 -2.734 -7.354 522 HA LEU 64 HA LEU 64 -0.432 -4.810 -7.876 523 HB2 LEU 64 2HB LEU 64 -1.157 -3.508 -5.247 524 HB3 LEU 64 3HB LEU 64 0.218 -4.577 -5.463 525 HG LEU 64 HG LEU 64 -0.140 -1.984 -6.980 526 HD11 LEU 64 1HD1 LEU 64 1.525 -2.524 -4.520 527 HD12 LEU 64 2HD1 LEU 64 0.078 -1.517 -4.597 528 HD13 LEU 64 3HD1 LEU 64 1.532 -1.038 -5.471 529 HD21 LEU 64 3HD2 LEU 64 2.246 -3.806 -6.632 530 HD22 LEU 64 1HD2 LEU 64 2.238 -2.269 -7.499 531 HD23 LEU 64 2HD2 LEU 64 1.282 -3.623 -8.099 532 H ALA 65 H ALA 65 -3.281 -4.814 -5.739 533 HA ALA 65 HA ALA 65 -3.085 -7.389 -4.710 534 HB1 ALA 65 3HB ALA 65 -5.618 -5.932 -5.483 535 HB2 ALA 65 1HB ALA 65 -4.736 -5.730 -3.969 536 HB3 ALA 65 2HB ALA 65 -5.492 -7.277 -4.347 537 H LYS 66 H LYS 66 -4.622 -6.328 -7.734 538 HA LYS 66 HA LYS 66 -5.478 -8.898 -8.565 539 HB2 LYS 66 2HB LYS 66 -4.861 -6.480 -10.279 540 HB3 LYS 66 3HB LYS 66 -5.837 -7.866 -10.752 541 HG2 LYS 66 2HG LYS 66 -6.499 -5.874 -8.585 542 HG3 LYS 66 3HG LYS 66 -7.246 -5.977 -10.181 543 HD2 LYS 66 2HD LYS 66 -8.100 -8.219 -9.624 544 HD3 LYS 66 3HD LYS 66 -7.365 -8.098 -8.024 545 HE2 LYS 66 2HE LYS 66 -9.753 -7.579 -7.937 546 HE3 LYS 66 3HE LYS 66 -8.782 -6.170 -7.509 547 HZ1 LYS 66 3HZ LYS 66 -9.130 -5.270 -9.698 548 HZ2 LYS 66 1HZ LYS 66 -10.632 -5.642 -9.013 549 HZ3 LYS 66 2HZ LYS 66 -9.964 -6.655 -10.189 550 H GLU 67 H GLU 67 -2.502 -7.068 -9.128 551 HA GLU 67 HA GLU 67 -1.295 -8.579 -11.117 552 HB2 GLU 67 2HB GLU 67 -0.031 -7.179 -8.747 553 HB3 GLU 67 3HB GLU 67 0.883 -7.819 -10.104 554 HG2 GLU 67 2HG GLU 67 -1.288 -5.759 -10.416 555 HG3 GLU 67 3HG GLU 67 0.402 -5.345 -10.137 556 H PHE 68 H PHE 68 -1.515 -9.270 -7.657 557 HA PHE 68 HA PHE 68 -0.110 -11.831 -8.126 558 HB2 PHE 68 2HB PHE 68 -0.393 -10.273 -5.544 559 HB3 PHE 68 3HB PHE 68 0.462 -11.804 -5.728 560 HD1 PHE 68 HD1 PHE 68 2.516 -11.895 -7.150 561 HD2 PHE 68 HD2 PHE 68 0.643 -8.212 -6.109 562 HE1 PHE 68 HE1 PHE 68 4.569 -10.682 -7.753 563 HE2 PHE 68 HE2 PHE 68 2.694 -6.994 -6.708 564 HZ PHE 68 HZ PHE 68 4.659 -8.232 -7.532 565 H ASN 69 H ASN 69 -3.156 -10.771 -7.970 566 HA ASN 69 HA ASN 69 -5.189 -11.707 -7.549 567 HB2 ASN 69 2HB ASN 69 -3.502 -14.213 -7.390 568 HB3 ASN 69 3HB ASN 69 -5.258 -14.232 -7.282 569 HD21 ASN 69 1HD2 ASN 69 -3.479 -12.043 -9.368 570 HD22 ASN 69 2HD2 ASN 69 -4.009 -12.749 -10.847 571 H ILE 70 H ILE 70 -3.517 -10.695 -5.306 572 HA ILE 70 HA ILE 70 -4.520 -12.315 -3.064 573 HB ILE 70 HB ILE 70 -2.939 -11.028 -1.648 574 HG12 ILE 70 2HG1 ILE 70 -1.051 -9.863 -3.099 575 HG13 ILE 70 3HG1 ILE 70 -2.356 -9.651 -4.259 576 HG21 ILE 70 1HG2 ILE 70 -0.904 -12.118 -2.481 577 HG22 ILE 70 2HG2 ILE 70 -1.696 -12.403 -4.033 578 HG23 ILE 70 3HG2 ILE 70 -2.306 -13.185 -2.574 579 HD11 ILE 70 3HD1 ILE 70 -3.630 -8.407 -2.585 580 HD12 ILE 70 1HD1 ILE 70 -2.055 -7.675 -2.884 581 HD13 ILE 70 2HD1 ILE 70 -2.321 -8.630 -1.424 582 H THR 71 H THR 71 -4.859 -10.708 -1.015 583 HA THR 71 HA THR 71 -7.024 -8.901 -1.876 584 HB THR 71 HB THR 71 -6.503 -10.166 0.830 585 HG1 THR 71 HG1 THR 71 -8.020 -11.607 0.263 586 HG21 THR 71 3HG2 THR 71 -7.614 -7.998 1.086 587 HG22 THR 71 1HG2 THR 71 -8.726 -9.316 1.447 588 HG23 THR 71 2HG2 THR 71 -8.833 -8.474 -0.098 589 H VAL 72 H VAL 72 -6.887 -6.741 -1.564 590 HA VAL 72 HA VAL 72 -4.757 -5.728 0.213 591 HB VAL 72 HB VAL 72 -4.500 -5.035 -2.140 592 HG11 VAL 72 1HG1 VAL 72 -7.132 -3.594 -1.781 593 HG12 VAL 72 2HG1 VAL 72 -6.859 -5.011 -2.795 594 HG13 VAL 72 3HG1 VAL 72 -6.066 -3.485 -3.184 595 HG21 VAL 72 3HG2 VAL 72 -3.646 -3.582 -0.375 596 HG22 VAL 72 1HG2 VAL 72 -5.202 -2.758 -0.276 597 HG23 VAL 72 2HG2 VAL 72 -4.225 -2.626 -1.739 598 H THR 73 H THR 73 -5.265 -4.520 1.920 599 HA THR 73 HA THR 73 -7.972 -3.350 2.152 600 HB THR 73 HB THR 73 -7.915 -3.823 4.599 601 HG1 THR 73 HG1 THR 73 -5.386 -4.463 4.121 602 HG21 THR 73 3HG2 THR 73 -8.441 -6.212 4.471 603 HG22 THR 73 1HG2 THR 73 -7.677 -6.304 2.884 604 HG23 THR 73 2HG2 THR 73 -9.138 -5.341 3.104 605 H TYR 74 H TYR 74 -7.842 -1.183 2.418 606 HA TYR 74 HA TYR 74 -5.481 -0.100 3.805 607 HB2 TYR 74 2HB TYR 74 -5.619 1.865 2.163 608 HB3 TYR 74 3HB TYR 74 -4.933 0.357 1.581 609 HD1 TYR 74 HD1 TYR 74 -7.880 2.585 1.402 610 HD2 TYR 74 HD2 TYR 74 -5.995 -0.900 -0.165 611 HE1 TYR 74 HE1 TYR 74 -9.444 2.595 -0.497 612 HE2 TYR 74 HE2 TYR 74 -7.556 -0.898 -2.064 613 HH TYR 74 HH TYR 74 -9.647 -0.046 -2.745 614 H THR 75 H THR 75 -5.848 1.288 5.356 615 HA THR 75 HA THR 75 -8.573 2.367 5.730 616 HB THR 75 HB THR 75 -6.318 2.164 7.755 617 HG1 THR 75 HG1 THR 75 -6.979 0.181 8.052 618 HG21 THR 75 3HG2 THR 75 -7.933 3.957 8.255 619 HG22 THR 75 1HG2 THR 75 -8.057 2.636 9.418 620 HG23 THR 75 2HG2 THR 75 -9.256 2.796 8.136 621 H ILE 76 H ILE 76 -8.878 4.492 5.264 622 HA ILE 76 HA ILE 76 -6.510 6.274 5.313 623 HB ILE 76 HB ILE 76 -8.809 6.472 3.351 624 HG12 ILE 76 2HG1 ILE 76 -6.029 5.318 2.977 625 HG13 ILE 76 3HG1 ILE 76 -7.545 4.429 2.908 626 HG21 ILE 76 1HG2 ILE 76 -7.345 8.057 2.175 627 HG22 ILE 76 2HG2 ILE 76 -6.131 7.877 3.442 628 HG23 ILE 76 3HG2 ILE 76 -7.695 8.602 3.816 629 HD11 ILE 76 3HD1 ILE 76 -6.623 6.543 0.977 630 HD12 ILE 76 1HD1 ILE 76 -8.186 5.729 0.921 631 HD13 ILE 76 2HD1 ILE 76 -6.700 4.806 0.689 632 H ARG 77 H ARG 77 -6.702 8.163 6.406 633 HA ARG 77 HA ARG 77 -9.421 9.140 7.013 634 HB2 ARG 77 2HB ARG 77 -8.791 9.802 9.226 635 HB3 ARG 77 3HB ARG 77 -8.351 8.114 9.029 636 HG2 ARG 77 2HG ARG 77 -6.017 8.705 8.765 637 HG3 ARG 77 3HG ARG 77 -6.418 10.424 8.812 638 HD2 ARG 77 2HD ARG 77 -7.352 10.056 11.113 639 HD3 ARG 77 3HD ARG 77 -6.715 8.413 11.044 640 HE ARG 77 HE ARG 77 -4.592 10.091 10.489 641 HH11 ARG 77 1HH1 ARG 77 -6.745 9.555 13.130 642 HH12 ARG 77 2HH1 ARG 77 -5.595 10.075 14.307 643 HH21 ARG 77 1HH2 ARG 77 -3.126 10.729 12.018 644 HH22 ARG 77 2HH2 ARG 77 -3.574 10.730 13.690 645 H LEU 78 H LEU 78 -9.793 11.262 6.717 646 HA LEU 78 HA LEU 78 -7.530 13.069 6.218 647 HB2 LEU 78 2HB LEU 78 -8.581 14.036 4.272 648 HB3 LEU 78 3HB LEU 78 -8.367 12.316 4.022 649 HG LEU 78 HG LEU 78 -10.995 13.598 4.816 650 HD11 LEU 78 1HD1 LEU 78 -10.311 14.369 2.604 651 HD12 LEU 78 2HD1 LEU 78 -11.681 13.266 2.495 652 HD13 LEU 78 3HD1 LEU 78 -10.060 12.702 2.087 653 HD21 LEU 78 3HD2 LEU 78 -10.850 11.256 5.464 654 HD22 LEU 78 1HD2 LEU 78 -10.343 10.814 3.833 655 HD23 LEU 78 2HD2 LEU 78 -11.966 11.448 4.113 656 H GLU 79 H GLU 79 -8.239 15.401 6.200 657 HA GLU 79 HA GLU 79 -9.586 15.958 8.627 658 HB2 GLU 79 2HB GLU 79 -7.765 17.347 7.726 659 HB3 GLU 79 3HB GLU 79 -8.803 17.851 6.399 660 HG2 GLU 79 2HG GLU 79 -10.300 18.961 7.966 661 HG3 GLU 79 3HG GLU 79 -9.317 18.406 9.321 662 H HIS 80 H HIS 80 -11.712 15.321 8.654 663 HA HIS 80 HA HIS 80 -13.548 16.399 6.635 664 HB2 HIS 80 2HB HIS 80 -15.252 14.929 7.748 665 HB3 HIS 80 3HB HIS 80 -13.887 14.065 7.054 666 HD1 HIS 80 HD1 HIS 80 -15.435 14.980 10.353 667 HD2 HIS 80 HD2 HIS 80 -12.316 12.655 8.886 668 HE1 HIS 80 HE1 HIS 80 -14.662 13.589 12.291 669 HE2 HIS 80 HE2 HIS 80 -12.879 12.088 11.346 670 H HIS 81 H HIS 81 -14.652 18.209 6.994 671 HA HIS 81 HA HIS 81 -14.539 19.455 9.634 672 HB2 HIS 81 2HB HIS 81 -15.527 20.574 6.998 673 HB3 HIS 81 3HB HIS 81 -15.259 21.490 8.477 674 HD1 HIS 81 HD1 HIS 81 -13.542 20.229 5.473 675 HD2 HIS 81 HD2 HIS 81 -12.473 21.769 9.183 676 HE1 HIS 81 HE1 HIS 81 -11.114 20.817 5.280 677 HE2 HIS 81 HE2 HIS 81 -10.455 21.606 7.573 678 H HIS 82 H HIS 82 -16.166 19.240 11.036 679 HA HIS 82 HA HIS 82 -18.714 18.163 10.270 680 HB2 HIS 82 2HB HIS 82 -17.672 17.590 12.420 681 HB3 HIS 82 3HB HIS 82 -17.773 19.270 12.931 682 HD1 HIS 82 HD1 HIS 82 -19.971 20.062 13.908 683 HD2 HIS 82 HD2 HIS 82 -20.196 16.219 12.348 684 HE1 HIS 82 HE1 HIS 82 -22.179 19.154 14.674 685 HE2 HIS 82 HE2 HIS 82 -22.177 16.757 13.919 686 H HIS 83 H HIS 83 -19.243 19.921 8.729 687 HA HIS 83 HA HIS 83 -20.120 22.450 9.885 688 HB2 HIS 83 2HB HIS 83 -20.647 23.119 7.612 689 HB3 HIS 83 3HB HIS 83 -19.047 22.388 7.641 690 HD1 HIS 83 HD1 HIS 83 -22.492 21.908 6.303 691 HD2 HIS 83 HD2 HIS 83 -18.835 19.931 6.253 692 HE1 HIS 83 HE1 HIS 83 -22.712 20.135 4.543 693 HE2 HIS 83 HE2 HIS 83 -20.506 18.933 4.544 694 H HIS 84 H HIS 84 -22.303 23.222 9.755 695 HA HIS 84 HA HIS 84 -24.288 21.081 10.010 696 HB2 HIS 84 2HB HIS 84 -24.377 24.022 10.703 697 HB3 HIS 84 3HB HIS 84 -25.765 22.949 10.855 698 HD1 HIS 84 HD1 HIS 84 -25.295 20.803 12.498 699 HD2 HIS 84 HD2 HIS 84 -22.821 24.112 12.932 700 HE1 HIS 84 HE1 HIS 84 -24.253 20.567 14.766 701 HE2 HIS 84 HE2 HIS 84 -22.877 22.652 15.067 702 H HIS 85 H HIS 85 -26.620 22.073 9.291 703 HA HIS 85 HA HIS 85 -26.568 23.404 6.726 704 HB2 HIS 85 2HB HIS 85 -25.989 21.098 6.071 705 HB3 HIS 85 3HB HIS 85 -27.445 20.505 6.865 706 HD1 HIS 85 HD1 HIS 85 -29.565 20.504 5.507 707 HD2 HIS 85 HD2 HIS 85 -26.545 22.748 3.741 708 HE1 HIS 85 HE1 HIS 85 -30.426 21.120 3.232 709 HE2 HIS 85 HE2 HIS 85 -28.526 22.343 2.132 Start of MODEL 17 1 H1 MET 1 1H MET 1 -3.010 15.201 4.290 2 H2 MET 1 2H MET 1 -1.918 14.143 3.553 3 H3 MET 1 3H MET 1 -1.770 14.500 5.201 4 HA MET 1 HA MET 1 -3.899 13.440 5.649 5 HB2 MET 1 2HB MET 1 -4.773 13.886 3.325 6 HB3 MET 1 3HB MET 1 -3.770 12.562 2.753 7 HG2 MET 1 2HG MET 1 -5.005 11.055 4.323 8 HG3 MET 1 3HG MET 1 -6.093 12.403 4.658 9 HE1 MET 1 3HE MET 1 -7.396 13.701 2.600 10 HE2 MET 1 1HE MET 1 -7.443 13.061 0.958 11 HE3 MET 1 2HE MET 1 -5.937 13.707 1.608 12 H GLU 2 H GLU 2 -4.056 11.072 6.011 13 HA GLU 2 HA GLU 2 -1.524 9.647 5.468 14 HB2 GLU 2 2HB GLU 2 -1.634 10.463 7.810 15 HB3 GLU 2 3HB GLU 2 -3.125 9.559 8.040 16 HG2 GLU 2 2HG GLU 2 -1.925 7.467 7.640 17 HG3 GLU 2 3HG GLU 2 -0.430 8.370 7.394 18 H MET 3 H MET 3 -1.733 7.582 4.727 19 HA MET 3 HA MET 3 -4.442 6.404 4.636 20 HB2 MET 3 2HB MET 3 -4.006 7.522 2.516 21 HB3 MET 3 3HB MET 3 -2.483 6.672 2.342 22 HG2 MET 3 2HG MET 3 -3.635 4.571 2.061 23 HG3 MET 3 3HG MET 3 -5.186 5.345 2.381 24 HE1 MET 3 3HE MET 3 -6.337 4.536 0.171 25 HE2 MET 3 1HE MET 3 -4.893 3.575 -0.156 26 HE3 MET 3 2HE MET 3 -5.569 4.607 -1.416 27 H ASP 4 H ASP 4 -4.441 4.445 5.540 28 HA ASP 4 HA ASP 4 -1.948 2.904 5.763 29 HB2 ASP 4 2HB ASP 4 -3.363 3.454 7.784 30 HB3 ASP 4 3HB ASP 4 -4.618 2.419 7.119 31 H ILE 5 H ILE 5 -1.591 1.362 4.258 32 HA ILE 5 HA ILE 5 -3.902 -0.049 3.056 33 HB ILE 5 HB ILE 5 -1.285 0.656 1.696 34 HG12 ILE 5 2HG1 ILE 5 -4.065 1.782 1.242 35 HG13 ILE 5 3HG1 ILE 5 -2.744 2.627 2.042 36 HG21 ILE 5 1HG2 ILE 5 -3.762 -0.682 0.601 37 HG22 ILE 5 2HG2 ILE 5 -2.195 -1.443 0.874 38 HG23 ILE 5 3HG2 ILE 5 -2.362 -0.186 -0.351 39 HD11 ILE 5 3HD1 ILE 5 -2.809 1.743 -0.838 40 HD12 ILE 5 1HD1 ILE 5 -1.457 2.551 -0.044 41 HD13 ILE 5 2HD1 ILE 5 -2.996 3.389 -0.237 42 H ARG 6 H ARG 6 -3.908 -2.149 3.732 43 HA ARG 6 HA ARG 6 -1.305 -3.431 4.300 44 HB2 ARG 6 2HB ARG 6 -2.338 -4.797 5.891 45 HB3 ARG 6 3HB ARG 6 -3.109 -3.233 6.117 46 HG2 ARG 6 2HG ARG 6 -5.025 -4.025 4.771 47 HG3 ARG 6 3HG ARG 6 -4.255 -5.606 4.650 48 HD2 ARG 6 2HD ARG 6 -5.336 -4.236 7.097 49 HD3 ARG 6 3HD ARG 6 -5.833 -5.775 6.401 50 HE ARG 6 HE ARG 6 -3.644 -5.297 8.198 51 HH11 ARG 6 1HH1 ARG 6 -4.850 -7.455 5.778 52 HH12 ARG 6 2HH1 ARG 6 -3.967 -8.802 6.411 53 HH21 ARG 6 1HH2 ARG 6 -2.581 -7.064 9.012 54 HH22 ARG 6 2HH2 ARG 6 -2.731 -8.592 8.214 55 H PHE 7 H PHE 7 -0.666 -5.251 3.292 56 HA PHE 7 HA PHE 7 -2.465 -6.481 1.299 57 HB2 PHE 7 2HB PHE 7 0.565 -6.403 1.391 58 HB3 PHE 7 3HB PHE 7 -0.377 -7.274 0.188 59 HD1 PHE 7 HD1 PHE 7 -1.679 -6.050 -1.499 60 HD2 PHE 7 HD2 PHE 7 0.848 -4.023 1.270 61 HE1 PHE 7 HE1 PHE 7 -1.737 -4.041 -2.920 62 HE2 PHE 7 HE2 PHE 7 0.788 -2.011 -0.144 63 HZ PHE 7 HZ PHE 7 -0.503 -2.022 -2.247 64 H ARG 8 H ARG 8 -2.755 -8.696 1.287 65 HA ARG 8 HA ARG 8 -1.259 -10.363 3.191 66 HB2 ARG 8 2HB ARG 8 -3.314 -9.586 4.349 67 HB3 ARG 8 3HB ARG 8 -4.281 -10.250 3.049 68 HG2 ARG 8 2HG ARG 8 -3.584 -12.505 3.618 69 HG3 ARG 8 3HG ARG 8 -2.514 -11.876 4.876 70 HD2 ARG 8 2HD ARG 8 -4.426 -10.975 6.081 71 HD3 ARG 8 3HD ARG 8 -5.513 -11.515 4.804 72 HE ARG 8 HE ARG 8 -5.002 -13.800 5.452 73 HH11 ARG 8 1HH1 ARG 8 -3.878 -11.396 7.642 74 HH12 ARG 8 2HH1 ARG 8 -4.088 -12.406 9.029 75 HH21 ARG 8 1HH2 ARG 8 -5.248 -15.097 7.266 76 HH22 ARG 8 2HH2 ARG 8 -4.845 -14.454 8.823 77 H GLY 9 H GLY 9 -0.754 -12.351 2.331 78 HA2 GLY 9 2HA GLY 9 -2.437 -13.827 0.610 79 HA3 GLY 9 3HA GLY 9 -1.284 -12.940 -0.372 80 H ASP 10 H ASP 10 -0.724 -15.175 -1.025 81 HA ASP 10 HA ASP 10 1.123 -16.491 0.873 82 HB2 ASP 10 2HB ASP 10 -0.723 -17.926 0.215 83 HB3 ASP 10 3HB ASP 10 -0.403 -17.621 -1.489 84 H ASP 11 H ASP 11 0.936 -14.830 -2.132 85 HA ASP 11 HA ASP 11 3.140 -15.936 -3.495 86 HB2 ASP 11 2HB ASP 11 1.937 -13.167 -3.681 87 HB3 ASP 11 3HB ASP 11 3.073 -13.855 -4.840 88 H LEU 12 H LEU 12 5.212 -15.896 -2.993 89 HA LEU 12 HA LEU 12 6.327 -14.458 -0.855 90 HB2 LEU 12 2HB LEU 12 7.252 -16.559 -1.634 91 HB3 LEU 12 3HB LEU 12 7.651 -15.847 -3.186 92 HG LEU 12 HG LEU 12 9.268 -14.332 -2.031 93 HD11 LEU 12 1HD1 LEU 12 8.674 -16.042 0.387 94 HD12 LEU 12 2HD1 LEU 12 8.258 -14.339 0.193 95 HD13 LEU 12 3HD1 LEU 12 9.950 -14.829 0.258 96 HD21 LEU 12 3HD2 LEU 12 9.733 -17.289 -1.617 97 HD22 LEU 12 1HD2 LEU 12 10.977 -16.038 -1.662 98 HD23 LEU 12 2HD2 LEU 12 10.025 -16.386 -3.105 99 H GLU 13 H GLU 13 7.035 -14.032 -4.347 100 HA GLU 13 HA GLU 13 8.662 -11.774 -4.007 101 HB2 GLU 13 2HB GLU 13 8.623 -13.199 -6.051 102 HB3 GLU 13 3HB GLU 13 7.066 -12.497 -6.477 103 HG2 GLU 13 2HG GLU 13 8.097 -10.281 -6.611 104 HG3 GLU 13 3HG GLU 13 9.658 -10.977 -6.185 105 H ALA 14 H ALA 14 5.184 -12.029 -4.165 106 HA ALA 14 HA ALA 14 4.431 -9.480 -4.976 107 HB1 ALA 14 3HB ALA 14 2.819 -11.262 -4.599 108 HB2 ALA 14 1HB ALA 14 2.372 -9.827 -3.677 109 HB3 ALA 14 2HB ALA 14 3.125 -11.200 -2.863 110 H PHE 15 H PHE 15 5.758 -10.519 -1.900 111 HA PHE 15 HA PHE 15 5.305 -8.270 -0.316 112 HB2 PHE 15 2HB PHE 15 6.258 -10.154 0.748 113 HB3 PHE 15 3HB PHE 15 7.563 -10.269 -0.428 114 HD1 PHE 15 HD2 PHE 15 6.252 -8.073 2.291 115 HD2 PHE 15 HD1 PHE 15 9.649 -9.339 0.049 116 HE1 PHE 15 HE2 PHE 15 7.722 -6.782 3.782 117 HE2 PHE 15 HE1 PHE 15 11.116 -8.049 1.540 118 HZ PHE 15 HZ PHE 15 10.155 -6.769 3.410 119 H GLU 16 H GLU 16 8.229 -8.925 -2.292 120 HA GLU 16 HA GLU 16 9.295 -6.318 -1.835 121 HB2 GLU 16 2HB GLU 16 11.060 -6.947 -3.396 122 HB3 GLU 16 3HB GLU 16 10.751 -8.245 -2.252 123 HG2 GLU 16 2HG GLU 16 9.472 -9.453 -3.937 124 HG3 GLU 16 3HG GLU 16 9.736 -8.144 -5.090 125 H LYS 17 H LYS 17 7.267 -7.703 -4.336 126 HA LYS 17 HA LYS 17 7.612 -5.651 -6.276 127 HB2 LYS 17 2HB LYS 17 5.228 -7.464 -5.813 128 HB3 LYS 17 3HB LYS 17 5.510 -6.501 -7.258 129 HG2 LYS 17 2HG LYS 17 7.326 -8.704 -6.286 130 HG3 LYS 17 3HG LYS 17 6.080 -8.900 -7.517 131 HD2 LYS 17 2HD LYS 17 8.412 -6.985 -7.717 132 HD3 LYS 17 3HD LYS 17 8.368 -8.589 -8.448 133 HE2 LYS 17 2HE LYS 17 6.323 -7.868 -9.710 134 HE3 LYS 17 3HE LYS 17 6.581 -6.238 -9.084 135 HZ1 LYS 17 3HZ LYS 17 8.740 -6.206 -10.169 136 HZ2 LYS 17 1HZ LYS 17 7.516 -6.500 -11.295 137 HZ3 LYS 17 2HZ LYS 17 8.500 -7.769 -10.761 138 H ALA 18 H ALA 18 4.995 -6.193 -3.897 139 HA ALA 18 HA ALA 18 3.621 -3.782 -4.438 140 HB1 ALA 18 3HB ALA 18 2.390 -4.239 -2.371 141 HB2 ALA 18 1HB ALA 18 3.571 -5.475 -1.935 142 HB3 ALA 18 2HB ALA 18 2.548 -5.694 -3.355 143 H LEU 19 H LEU 19 5.838 -4.646 -1.766 144 HA LEU 19 HA LEU 19 5.808 -2.234 -0.385 145 HB2 LEU 19 2HB LEU 19 6.858 -4.296 0.444 146 HB3 LEU 19 3HB LEU 19 8.122 -4.145 -0.763 147 HG LEU 19 HG LEU 19 8.872 -2.038 0.318 148 HD11 LEU 19 1HD1 LEU 19 6.760 -1.355 1.316 149 HD12 LEU 19 2HD1 LEU 19 8.031 -1.454 2.534 150 HD13 LEU 19 3HD1 LEU 19 6.821 -2.732 2.418 151 HD21 LEU 19 3HD2 LEU 19 9.879 -3.084 2.286 152 HD22 LEU 19 1HD2 LEU 19 9.943 -4.154 0.886 153 HD23 LEU 19 2HD2 LEU 19 8.750 -4.433 2.156 154 H LYS 20 H LYS 20 7.987 -3.209 -3.036 155 HA LYS 20 HA LYS 20 9.572 -0.892 -3.065 156 HB2 LYS 20 2HB LYS 20 10.164 -3.018 -4.185 157 HB3 LYS 20 3HB LYS 20 8.912 -2.726 -5.381 158 HG2 LYS 20 2HG LYS 20 11.093 -2.167 -6.270 159 HG3 LYS 20 3HG LYS 20 10.096 -0.719 -6.135 160 HD2 LYS 20 2HD LYS 20 11.271 -0.024 -4.148 161 HD3 LYS 20 3HD LYS 20 12.160 -1.548 -4.086 162 HE2 LYS 20 2HE LYS 20 13.534 0.284 -4.975 163 HE3 LYS 20 3HE LYS 20 13.301 -0.997 -6.162 164 HZ1 LYS 20 3HZ LYS 20 13.055 1.175 -7.163 165 HZ2 LYS 20 1HZ LYS 20 11.831 1.583 -6.078 166 HZ3 LYS 20 2HZ LYS 20 11.581 0.353 -7.211 167 H GLU 21 H GLU 21 6.644 -1.672 -4.970 168 HA GLU 21 HA GLU 21 6.610 0.720 -6.475 169 HB2 GLU 21 2HB GLU 21 4.377 -1.179 -5.734 170 HB3 GLU 21 3HB GLU 21 4.176 0.165 -6.850 171 HG2 GLU 21 2HG GLU 21 6.089 -2.141 -7.216 172 HG3 GLU 21 3HG GLU 21 4.520 -1.976 -7.999 173 H MET 22 H MET 22 4.969 -0.125 -3.422 174 HA MET 22 HA MET 22 3.496 2.222 -3.072 175 HB2 MET 22 2HB MET 22 4.777 0.466 -0.964 176 HB3 MET 22 3HB MET 22 3.553 1.687 -0.639 177 HG2 MET 22 2HG MET 22 3.203 -0.773 -2.341 178 HG3 MET 22 3HG MET 22 2.573 -0.529 -0.714 179 HE1 MET 22 3HE MET 22 1.640 2.463 -0.759 180 HE2 MET 22 1HE MET 22 0.610 1.181 -0.117 181 HE3 MET 22 2HE MET 22 -0.039 2.335 -1.281 182 H ILE 23 H ILE 23 6.742 1.484 -1.753 183 HA ILE 23 HA ILE 23 7.283 4.053 -0.732 184 HB ILE 23 HB ILE 23 9.272 2.014 -1.775 185 HG12 ILE 23 2HG1 ILE 23 8.176 2.433 1.024 186 HG13 ILE 23 3HG1 ILE 23 7.769 1.095 -0.043 187 HG21 ILE 23 1HG2 ILE 23 9.662 4.325 0.136 188 HG22 ILE 23 2HG2 ILE 23 10.279 4.222 -1.513 189 HG23 ILE 23 3HG2 ILE 23 10.879 3.118 -0.276 190 HD11 ILE 23 3HD1 ILE 23 10.480 1.674 1.130 191 HD12 ILE 23 1HD1 ILE 23 10.105 0.348 0.027 192 HD13 ILE 23 2HD1 ILE 23 9.365 0.403 1.628 193 H ARG 24 H ARG 24 7.898 2.618 -3.893 194 HA ARG 24 HA ARG 24 9.386 4.592 -5.147 195 HB2 ARG 24 2HB ARG 24 8.988 2.409 -6.122 196 HB3 ARG 24 3HB ARG 24 7.271 2.732 -6.248 197 HG2 ARG 24 2HG ARG 24 7.731 4.470 -7.925 198 HG3 ARG 24 3HG ARG 24 9.457 4.103 -7.809 199 HD2 ARG 24 2HD ARG 24 9.028 1.808 -8.538 200 HD3 ARG 24 3HD ARG 24 7.299 2.141 -8.613 201 HE ARG 24 HE ARG 24 8.921 3.855 -10.267 202 HH11 ARG 24 1HH1 ARG 24 7.207 0.864 -10.085 203 HH12 ARG 24 2HH1 ARG 24 6.977 0.774 -11.796 204 HH21 ARG 24 1HH2 ARG 24 8.644 3.709 -12.460 205 HH22 ARG 24 2HH2 ARG 24 7.781 2.368 -13.129 206 H GLN 25 H GLN 25 5.877 4.445 -4.645 207 HA GLN 25 HA GLN 25 5.276 6.728 -6.278 208 HB2 GLN 25 2HB GLN 25 3.621 5.436 -4.089 209 HB3 GLN 25 3HB GLN 25 3.030 6.603 -5.264 210 HG2 GLN 25 2HG GLN 25 4.030 3.820 -5.842 211 HG3 GLN 25 3HG GLN 25 2.355 4.365 -5.873 212 HE21 GLN 25 1HE2 GLN 25 5.395 4.369 -7.530 213 HE22 GLN 25 2HE2 GLN 25 4.807 4.995 -9.027 214 H ALA 26 H ALA 26 5.437 6.234 -2.745 215 HA ALA 26 HA ALA 26 4.579 8.840 -2.067 216 HB1 ALA 26 3HB ALA 26 6.111 6.875 -0.374 217 HB2 ALA 26 1HB ALA 26 4.360 6.924 -0.571 218 HB3 ALA 26 2HB ALA 26 5.195 8.266 0.211 219 H ARG 27 H ARG 27 7.826 7.575 -2.631 220 HA ARG 27 HA ARG 27 9.305 9.441 -1.173 221 HB2 ARG 27 2HB ARG 27 10.019 7.828 -3.614 222 HB3 ARG 27 3HB ARG 27 11.178 8.895 -2.830 223 HG2 ARG 27 2HG ARG 27 10.846 7.645 -0.716 224 HG3 ARG 27 3HG ARG 27 9.776 6.537 -1.575 225 HD2 ARG 27 2HD ARG 27 12.043 5.627 -1.339 226 HD3 ARG 27 3HD ARG 27 11.600 5.856 -3.028 227 HE ARG 27 HE ARG 27 13.343 7.306 -3.229 228 HH11 ARG 27 1HH1 ARG 27 12.585 7.081 0.136 229 HH12 ARG 27 2HH1 ARG 27 13.941 8.039 0.609 230 HH21 ARG 27 1HH2 ARG 27 15.095 8.492 -2.593 231 HH22 ARG 27 2HH2 ARG 27 15.342 8.827 -0.914 232 H LYS 28 H LYS 28 7.787 9.864 -4.298 233 HA LYS 28 HA LYS 28 9.257 12.162 -5.110 234 HB2 LYS 28 2HB LYS 28 6.508 11.157 -5.855 235 HB3 LYS 28 3HB LYS 28 7.170 12.640 -6.521 236 HG2 LYS 28 2HG LYS 28 7.543 10.937 -8.115 237 HG3 LYS 28 3HG LYS 28 9.104 11.293 -7.379 238 HD2 LYS 28 2HD LYS 28 8.918 9.316 -5.971 239 HD3 LYS 28 3HD LYS 28 7.309 8.983 -6.619 240 HE2 LYS 28 2HE LYS 28 9.903 8.973 -8.171 241 HE3 LYS 28 3HE LYS 28 8.971 7.558 -7.686 242 HZ1 LYS 28 3HZ LYS 28 7.143 8.350 -9.071 243 HZ2 LYS 28 1HZ LYS 28 8.547 8.122 -9.986 244 HZ3 LYS 28 2HZ LYS 28 8.061 9.682 -9.555 245 H PHE 29 H PHE 29 6.728 11.723 -2.789 246 HA PHE 29 HA PHE 29 6.138 14.616 -2.749 247 HB2 PHE 29 2HB PHE 29 4.492 12.370 -1.557 248 HB3 PHE 29 3HB PHE 29 4.006 14.051 -1.761 249 HD1 PHE 29 HD1 PHE 29 3.738 14.960 -4.108 250 HD2 PHE 29 HD2 PHE 29 4.179 10.800 -3.289 251 HE1 PHE 29 HE1 PHE 29 2.837 14.424 -6.337 252 HE2 PHE 29 HE2 PHE 29 3.277 10.264 -5.512 253 HZ PHE 29 HZ PHE 29 2.607 12.075 -7.041 254 H ALA 30 H ALA 30 5.150 15.081 -0.323 255 HA ALA 30 HA ALA 30 7.472 14.929 1.402 256 HB1 ALA 30 3HB ALA 30 6.209 16.418 2.868 257 HB2 ALA 30 1HB ALA 30 4.765 16.179 1.882 258 HB3 ALA 30 2HB ALA 30 6.171 16.995 1.203 259 H GLY 31 H GLY 31 6.221 12.371 0.910 260 HA2 GLY 31 2HA GLY 31 4.917 11.763 3.493 261 HA3 GLY 31 3HA GLY 31 4.658 10.870 2.008 262 H THR 32 H THR 32 5.300 9.689 4.458 263 HA THR 32 HA THR 32 7.836 8.376 3.710 264 HB THR 32 HB THR 32 6.978 9.093 6.529 265 HG1 THR 32 HG1 THR 32 8.376 10.664 6.299 266 HG21 THR 32 3HG2 THR 32 7.914 6.841 6.540 267 HG22 THR 32 1HG2 THR 32 9.064 7.972 7.256 268 HG23 THR 32 2HG2 THR 32 9.307 7.391 5.608 269 H VAL 33 H VAL 33 7.807 6.174 3.737 270 HA VAL 33 HA VAL 33 5.196 4.925 4.219 271 HB VAL 33 HB VAL 33 7.609 3.882 2.715 272 HG11 VAL 33 1HG1 VAL 33 6.311 2.047 3.664 273 HG12 VAL 33 2HG1 VAL 33 6.109 2.110 1.914 274 HG13 VAL 33 3HG1 VAL 33 4.833 2.715 2.969 275 HG21 VAL 33 3HG2 VAL 33 4.978 4.991 1.723 276 HG22 VAL 33 1HG2 VAL 33 6.217 4.254 0.710 277 HG23 VAL 33 2HG2 VAL 33 6.559 5.755 1.570 278 H THR 34 H THR 34 4.927 4.040 6.157 279 HA THR 34 HA THR 34 7.150 2.522 7.384 280 HB THR 34 HB THR 34 6.306 4.185 8.920 281 HG1 THR 34 HG1 THR 34 5.035 2.248 10.258 282 HG21 THR 34 3HG2 THR 34 3.975 4.240 9.663 283 HG22 THR 34 1HG2 THR 34 3.570 2.952 8.526 284 HG23 THR 34 2HG2 THR 34 4.085 4.530 7.927 285 H TYR 35 H TYR 35 6.849 0.340 7.940 286 HA TYR 35 HA TYR 35 4.295 -0.914 7.364 287 HB2 TYR 35 2HB TYR 35 5.181 -2.467 5.689 288 HB3 TYR 35 3HB TYR 35 5.324 -0.801 5.145 289 HD1 TYR 35 HD2 TYR 35 7.599 0.323 5.229 290 HD2 TYR 35 HD1 TYR 35 7.097 -3.859 5.890 291 HE1 TYR 35 HE2 TYR 35 9.994 -0.036 4.787 292 HE2 TYR 35 HE1 TYR 35 9.486 -4.219 5.451 293 HH TYR 35 HH TYR 35 11.739 -1.700 5.334 294 H THR 36 H THR 36 4.090 -3.056 8.113 295 HA THR 36 HA THR 36 6.322 -4.089 9.747 296 HB THR 36 HB THR 36 4.788 -3.016 11.309 297 HG1 THR 36 HG1 THR 36 5.402 -4.685 12.463 298 HG21 THR 36 3HG2 THR 36 2.731 -3.100 9.971 299 HG22 THR 36 1HG2 THR 36 2.473 -3.780 11.577 300 HG23 THR 36 2HG2 THR 36 2.656 -4.850 10.188 301 H LEU 37 H LEU 37 6.628 -6.271 9.707 302 HA LEU 37 HA LEU 37 4.896 -7.837 7.909 303 HB2 LEU 37 2HB LEU 37 7.775 -8.105 8.737 304 HB3 LEU 37 3HB LEU 37 6.911 -9.480 8.078 305 HG LEU 37 HG LEU 37 8.190 -8.437 6.329 306 HD11 LEU 37 1HD1 LEU 37 6.034 -9.383 5.711 307 HD12 LEU 37 2HD1 LEU 37 6.432 -7.997 4.696 308 HD13 LEU 37 3HD1 LEU 37 5.255 -7.826 5.998 309 HD21 LEU 37 3HD2 LEU 37 6.702 -5.893 6.990 310 HD22 LEU 37 1HD2 LEU 37 7.773 -6.125 5.606 311 HD23 LEU 37 2HD2 LEU 37 8.420 -6.204 7.244 312 H ASP 38 H ASP 38 3.843 -9.644 8.554 313 HA ASP 38 HA ASP 38 4.737 -11.095 10.904 314 HB2 ASP 38 2HB ASP 38 3.129 -9.423 11.814 315 HB3 ASP 38 3HB ASP 38 1.878 -10.098 10.772 316 H GLY 39 H GLY 39 5.120 -12.940 9.788 317 HA2 GLY 39 2HA GLY 39 4.716 -14.888 8.642 318 HA3 GLY 39 3HA GLY 39 3.046 -14.706 9.148 319 H ASN 40 H ASN 40 1.534 -13.853 7.723 320 HA ASN 40 HA ASN 40 2.425 -13.719 4.906 321 HB2 ASN 40 2HB ASN 40 0.113 -14.452 4.346 322 HB3 ASN 40 3HB ASN 40 0.982 -15.628 5.331 323 HD21 ASN 40 1HD2 ASN 40 -1.557 -13.263 5.285 324 HD22 ASN 40 2HD2 ASN 40 -2.291 -13.727 6.774 325 H ASP 41 H ASP 41 1.637 -11.637 7.270 326 HA ASP 41 HA ASP 41 -0.043 -9.909 5.569 327 HB2 ASP 41 2HB ASP 41 0.370 -9.924 8.566 328 HB3 ASP 41 3HB ASP 41 -0.540 -8.683 7.707 329 H LEU 42 H LEU 42 0.594 -7.959 4.930 330 HA LEU 42 HA LEU 42 3.010 -6.719 6.078 331 HB2 LEU 42 2HB LEU 42 3.776 -7.703 4.033 332 HB3 LEU 42 3HB LEU 42 2.360 -7.151 3.159 333 HG LEU 42 HG LEU 42 3.152 -4.806 3.400 334 HD11 LEU 42 1HD1 LEU 42 5.415 -4.340 4.138 335 HD12 LEU 42 2HD1 LEU 42 5.659 -6.041 4.532 336 HD13 LEU 42 3HD1 LEU 42 4.485 -5.086 5.439 337 HD21 LEU 42 3HD2 LEU 42 5.134 -6.679 2.102 338 HD22 LEU 42 1HD2 LEU 42 4.957 -4.957 1.763 339 HD23 LEU 42 2HD2 LEU 42 3.648 -6.071 1.372 340 H GLU 43 H GLU 43 1.978 -5.067 7.165 341 HA GLU 43 HA GLU 43 -0.100 -3.535 5.777 342 HB2 GLU 43 2HB GLU 43 0.890 -3.273 8.628 343 HB3 GLU 43 3HB GLU 43 -0.514 -2.464 7.939 344 HG2 GLU 43 2HG GLU 43 -1.451 -4.772 7.475 345 HG3 GLU 43 3HG GLU 43 -0.146 -5.400 8.477 346 H ILE 44 H ILE 44 0.420 -1.823 4.610 347 HA ILE 44 HA ILE 44 2.922 -0.359 5.193 348 HB ILE 44 HB ILE 44 1.495 -0.742 2.550 349 HG12 ILE 44 2HG1 ILE 44 4.178 -1.794 3.503 350 HG13 ILE 44 3HG1 ILE 44 2.707 -2.748 3.342 351 HG21 ILE 44 1HG2 ILE 44 2.515 1.468 2.656 352 HG22 ILE 44 2HG2 ILE 44 3.393 0.431 1.534 353 HG23 ILE 44 3HG2 ILE 44 4.054 0.750 3.137 354 HD11 ILE 44 3HD1 ILE 44 2.712 -2.345 0.933 355 HD12 ILE 44 1HD1 ILE 44 4.201 -3.118 1.472 356 HD13 ILE 44 2HD1 ILE 44 4.189 -1.396 1.095 357 H ARG 45 H ARG 45 2.429 1.534 6.208 358 HA ARG 45 HA ARG 45 0.068 3.047 5.294 359 HB2 ARG 45 2HB ARG 45 0.296 2.438 7.752 360 HB3 ARG 45 3HB ARG 45 1.655 3.556 7.812 361 HG2 ARG 45 2HG ARG 45 0.030 5.309 6.893 362 HG3 ARG 45 3HG ARG 45 -1.245 4.161 7.307 363 HD2 ARG 45 2HD ARG 45 -1.093 5.581 9.169 364 HD3 ARG 45 3HD ARG 45 -0.217 4.127 9.646 365 HE ARG 45 HE ARG 45 1.208 6.484 8.608 366 HH11 ARG 45 1HH1 ARG 45 0.747 4.097 11.057 367 HH12 ARG 45 2HH1 ARG 45 2.089 4.662 11.993 368 HH21 ARG 45 1HH2 ARG 45 2.908 7.189 9.802 369 HH22 ARG 45 2HH2 ARG 45 3.290 6.412 11.302 370 H ILE 46 H ILE 46 0.307 4.947 4.262 371 HA ILE 46 HA ILE 46 3.000 6.152 4.132 372 HB ILE 46 HB ILE 46 0.668 6.568 2.244 373 HG12 ILE 46 2HG1 ILE 46 3.189 4.905 1.925 374 HG13 ILE 46 3HG1 ILE 46 1.550 4.284 2.074 375 HG21 ILE 46 1HG2 ILE 46 3.547 7.474 2.064 376 HG22 ILE 46 2HG2 ILE 46 2.143 8.505 2.353 377 HG23 ILE 46 3HG2 ILE 46 2.326 7.679 0.807 378 HD11 ILE 46 3HD1 ILE 46 0.965 5.340 -0.053 379 HD12 ILE 46 1HD1 ILE 46 2.301 4.203 -0.223 380 HD13 ILE 46 2HD1 ILE 46 2.618 5.939 -0.203 381 H THR 47 H THR 47 3.281 7.842 5.427 382 HA THR 47 HA THR 47 0.959 9.462 6.248 383 HB THR 47 HB THR 47 3.732 9.301 7.472 384 HG1 THR 47 HG1 THR 47 1.493 8.541 8.931 385 HG21 THR 47 3HG2 THR 47 2.718 11.518 7.805 386 HG22 THR 47 1HG2 THR 47 2.796 10.617 9.321 387 HG23 THR 47 2HG2 THR 47 1.266 10.759 8.455 388 H GLY 48 H GLY 48 0.655 11.405 5.305 389 HA2 GLY 48 2HA GLY 48 1.413 13.672 5.060 390 HA3 GLY 48 3HA GLY 48 3.029 13.069 4.746 391 H VAL 49 H VAL 49 -0.141 12.318 3.241 392 HA VAL 49 HA VAL 49 0.991 13.220 0.661 393 HB VAL 49 HB VAL 49 -0.408 11.516 -0.468 394 HG11 VAL 49 1HG1 VAL 49 1.529 10.405 1.567 395 HG12 VAL 49 2HG1 VAL 49 1.934 11.035 -0.030 396 HG13 VAL 49 3HG1 VAL 49 0.969 9.565 0.120 397 HG21 VAL 49 3HG2 VAL 49 -1.413 9.691 0.826 398 HG22 VAL 49 1HG2 VAL 49 -2.135 11.246 1.242 399 HG23 VAL 49 2HG2 VAL 49 -0.961 10.501 2.327 400 HA PRO 50 HA PRO 50 -2.724 15.737 0.259 401 HB2 PRO 50 2HB PRO 50 -2.211 15.898 -2.605 402 HB3 PRO 50 3HB PRO 50 -2.047 17.156 -1.379 403 HG2 PRO 50 2HG PRO 50 0.075 16.022 -2.678 404 HG3 PRO 50 3HG PRO 50 0.180 16.730 -1.057 405 HD2 PRO 50 2HD PRO 50 -0.016 13.853 -1.865 406 HD3 PRO 50 3HD PRO 50 0.939 14.600 -0.565 407 H GLU 51 H GLU 51 -4.822 15.659 -0.872 408 HA GLU 51 HA GLU 51 -5.805 13.032 -1.109 409 HB2 GLU 51 2HB GLU 51 -7.183 14.986 -0.450 410 HB3 GLU 51 3HB GLU 51 -7.110 15.570 -2.108 411 HG2 GLU 51 2HG GLU 51 -8.293 13.590 -2.882 412 HG3 GLU 51 3HG GLU 51 -8.313 12.941 -1.244 413 H GLN 52 H GLN 52 -4.840 15.364 -3.604 414 HA GLN 52 HA GLN 52 -5.724 13.930 -5.853 415 HB2 GLN 52 2HB GLN 52 -4.215 15.278 -7.157 416 HB3 GLN 52 3HB GLN 52 -4.894 16.288 -5.888 417 HG2 GLN 52 2HG GLN 52 -2.837 16.059 -4.590 418 HG3 GLN 52 3HG GLN 52 -2.155 15.018 -5.839 419 HE21 GLN 52 1HE2 GLN 52 -1.637 15.948 -7.871 420 HE22 GLN 52 2HE2 GLN 52 -1.358 17.646 -8.025 421 H VAL 53 H VAL 53 -3.119 13.318 -3.693 422 HA VAL 53 HA VAL 53 -1.877 11.350 -5.473 423 HB VAL 53 HB VAL 53 -1.094 12.260 -2.688 424 HG11 VAL 53 1HG1 VAL 53 0.369 10.436 -4.610 425 HG12 VAL 53 2HG1 VAL 53 -0.363 9.967 -3.074 426 HG13 VAL 53 3HG1 VAL 53 1.018 11.063 -3.094 427 HG21 VAL 53 3HG2 VAL 53 0.095 12.909 -5.390 428 HG22 VAL 53 1HG2 VAL 53 0.765 13.397 -3.833 429 HG23 VAL 53 2HG2 VAL 53 -0.806 14.011 -4.348 430 H ARG 54 H ARG 54 -3.674 11.550 -2.432 431 HA ARG 54 HA ARG 54 -3.783 8.986 -1.514 432 HB2 ARG 54 2HB ARG 54 -4.997 10.569 -0.294 433 HB3 ARG 54 3HB ARG 54 -5.860 11.146 -1.711 434 HG2 ARG 54 2HG ARG 54 -7.124 9.000 -1.752 435 HG3 ARG 54 3HG ARG 54 -6.328 8.552 -0.242 436 HD2 ARG 54 2HD ARG 54 -7.392 10.274 0.956 437 HD3 ARG 54 3HD ARG 54 -7.861 11.123 -0.514 438 HE ARG 54 HE ARG 54 -9.030 8.495 -0.185 439 HH11 ARG 54 1HH1 ARG 54 -9.406 11.885 0.365 440 HH12 ARG 54 2HH1 ARG 54 -11.124 11.779 0.496 441 HH21 ARG 54 1HH2 ARG 54 -11.220 8.375 -0.004 442 HH22 ARG 54 2HH2 ARG 54 -12.145 9.807 0.299 443 H LYS 55 H LYS 55 -5.904 10.309 -4.054 444 HA LYS 55 HA LYS 55 -7.298 7.959 -4.664 445 HB2 LYS 55 2HB LYS 55 -6.601 10.280 -6.479 446 HB3 LYS 55 3HB LYS 55 -7.838 9.076 -6.809 447 HG2 LYS 55 2HG LYS 55 -9.159 9.824 -4.950 448 HG3 LYS 55 3HG LYS 55 -7.875 10.909 -4.412 449 HD2 LYS 55 2HD LYS 55 -8.120 12.218 -6.478 450 HD3 LYS 55 3HD LYS 55 -9.397 11.124 -7.017 451 HE2 LYS 55 2HE LYS 55 -9.521 12.776 -4.492 452 HE3 LYS 55 3HE LYS 55 -10.241 13.249 -6.030 453 HZ1 LYS 55 3HZ LYS 55 -11.825 12.198 -4.498 454 HZ2 LYS 55 1HZ LYS 55 -10.930 10.766 -4.553 455 HZ3 LYS 55 2HZ LYS 55 -11.675 11.350 -5.951 456 H GLU 56 H GLU 56 -4.171 9.107 -5.788 457 HA GLU 56 HA GLU 56 -3.891 7.162 -7.878 458 HB2 GLU 56 2HB GLU 56 -1.788 8.874 -6.534 459 HB3 GLU 56 3HB GLU 56 -1.574 7.976 -8.031 460 HG2 GLU 56 2HG GLU 56 -3.483 10.273 -7.592 461 HG3 GLU 56 3HG GLU 56 -1.953 10.342 -8.463 462 H LEU 57 H LEU 57 -2.870 7.378 -4.509 463 HA LEU 57 HA LEU 57 -1.202 5.106 -4.442 464 HB2 LEU 57 2HB LEU 57 -2.922 6.264 -2.235 465 HB3 LEU 57 3HB LEU 57 -1.625 5.104 -2.004 466 HG LEU 57 HG LEU 57 -1.294 7.934 -3.026 467 HD11 LEU 57 1HD1 LEU 57 -0.186 8.365 -0.903 468 HD12 LEU 57 2HD1 LEU 57 -0.515 6.714 -0.379 469 HD13 LEU 57 3HD1 LEU 57 -1.848 7.838 -0.644 470 HD21 LEU 57 3HD2 LEU 57 0.354 6.434 -4.020 471 HD22 LEU 57 1HD2 LEU 57 0.777 5.818 -2.421 472 HD23 LEU 57 2HD2 LEU 57 1.117 7.498 -2.838 473 H ALA 58 H ALA 58 -4.679 5.461 -3.780 474 HA ALA 58 HA ALA 58 -5.266 2.763 -3.269 475 HB1 ALA 58 3HB ALA 58 -6.838 4.591 -2.819 476 HB2 ALA 58 1HB ALA 58 -7.578 3.331 -3.807 477 HB3 ALA 58 2HB ALA 58 -7.047 4.839 -4.552 478 H LYS 59 H LYS 59 -5.457 4.581 -6.328 479 HA LYS 59 HA LYS 59 -6.297 2.549 -8.019 480 HB2 LYS 59 2HB LYS 59 -6.229 4.888 -8.683 481 HB3 LYS 59 3HB LYS 59 -4.474 4.892 -8.606 482 HG2 LYS 59 2HG LYS 59 -4.329 3.406 -10.500 483 HG3 LYS 59 3HG LYS 59 -6.082 3.197 -10.515 484 HD2 LYS 59 2HD LYS 59 -5.337 4.766 -12.254 485 HD3 LYS 59 3HD LYS 59 -6.386 5.548 -11.069 486 HE2 LYS 59 2HE LYS 59 -4.360 6.418 -9.924 487 HE3 LYS 59 3HE LYS 59 -3.372 5.721 -11.207 488 HZ1 LYS 59 3HZ LYS 59 -3.821 8.082 -11.542 489 HZ2 LYS 59 1HZ LYS 59 -5.480 7.772 -11.596 490 HZ3 LYS 59 2HZ LYS 59 -4.462 7.147 -12.795 491 H GLU 60 H GLU 60 -3.002 3.286 -6.936 492 HA GLU 60 HA GLU 60 -1.762 1.343 -8.647 493 HB2 GLU 60 2HB GLU 60 -0.626 3.382 -7.686 494 HB3 GLU 60 3HB GLU 60 -0.623 2.575 -6.126 495 HG2 GLU 60 2HG GLU 60 1.535 2.389 -7.263 496 HG3 GLU 60 3HG GLU 60 0.791 0.810 -7.005 497 H ALA 61 H ALA 61 -2.693 1.388 -5.209 498 HA ALA 61 HA ALA 61 -1.737 -1.143 -4.480 499 HB1 ALA 61 3HB ALA 61 -2.498 0.518 -2.856 500 HB2 ALA 61 1HB ALA 61 -3.324 -1.022 -2.618 501 HB3 ALA 61 2HB ALA 61 -4.160 0.315 -3.411 502 H GLU 62 H GLU 62 -4.826 -0.212 -5.957 503 HA GLU 62 HA GLU 62 -6.196 -2.620 -5.907 504 HB2 GLU 62 2HB GLU 62 -6.109 -0.556 -8.123 505 HB3 GLU 62 3HB GLU 62 -7.306 -1.837 -8.008 506 HG2 GLU 62 2HG GLU 62 -6.918 0.206 -5.834 507 HG3 GLU 62 3HG GLU 62 -7.989 0.475 -7.207 508 H ARG 63 H ARG 63 -3.805 -1.519 -8.313 509 HA ARG 63 HA ARG 63 -3.881 -3.791 -9.978 510 HB2 ARG 63 2HB ARG 63 -2.753 -1.545 -10.444 511 HB3 ARG 63 3HB ARG 63 -1.415 -2.115 -9.454 512 HG2 ARG 63 2HG ARG 63 -1.535 -4.185 -11.109 513 HG3 ARG 63 3HG ARG 63 -2.293 -2.992 -12.164 514 HD2 ARG 63 2HD ARG 63 0.494 -3.069 -11.069 515 HD3 ARG 63 3HD ARG 63 -0.043 -2.819 -12.729 516 HE ARG 63 HE ARG 63 0.045 -0.819 -10.595 517 HH11 ARG 63 1HH1 ARG 63 -0.639 -1.564 -13.888 518 HH12 ARG 63 2HH1 ARG 63 -0.593 0.093 -14.376 519 HH21 ARG 63 1HH2 ARG 63 0.134 1.284 -11.240 520 HH22 ARG 63 2HH2 ARG 63 -0.169 1.679 -12.900 521 H LEU 64 H LEU 64 -1.674 -2.963 -7.307 522 HA LEU 64 HA LEU 64 -0.043 -5.198 -7.306 523 HB2 LEU 64 2HB LEU 64 -1.037 -3.623 -4.923 524 HB3 LEU 64 3HB LEU 64 0.352 -4.696 -4.912 525 HG LEU 64 HG LEU 64 0.129 -2.185 -6.588 526 HD11 LEU 64 1HD1 LEU 64 1.776 -1.237 -5.029 527 HD12 LEU 64 2HD1 LEU 64 1.643 -2.678 -4.020 528 HD13 LEU 64 3HD1 LEU 64 0.250 -1.617 -4.231 529 HD21 LEU 64 3HD2 LEU 64 2.528 -2.524 -6.981 530 HD22 LEU 64 1HD2 LEU 64 1.566 -3.866 -7.603 531 HD23 LEU 64 2HD2 LEU 64 2.455 -4.046 -6.090 532 H ALA 65 H ALA 65 -3.168 -4.780 -5.660 533 HA ALA 65 HA ALA 65 -3.196 -7.299 -4.371 534 HB1 ALA 65 3HB ALA 65 -4.622 -5.427 -3.684 535 HB2 ALA 65 1HB ALA 65 -5.562 -6.890 -3.989 536 HB3 ALA 65 2HB ALA 65 -5.544 -5.587 -5.178 537 H LYS 66 H LYS 66 -4.924 -6.224 -7.308 538 HA LYS 66 HA LYS 66 -6.115 -8.714 -7.866 539 HB2 LYS 66 2HB LYS 66 -5.484 -6.463 -9.786 540 HB3 LYS 66 3HB LYS 66 -6.630 -7.767 -10.076 541 HG2 LYS 66 2HG LYS 66 -7.977 -6.969 -8.162 542 HG3 LYS 66 3HG LYS 66 -6.846 -5.632 -7.950 543 HD2 LYS 66 2HD LYS 66 -8.816 -4.901 -9.189 544 HD3 LYS 66 3HD LYS 66 -7.381 -4.831 -10.215 545 HE2 LYS 66 2HE LYS 66 -9.298 -5.761 -11.422 546 HE3 LYS 66 3HE LYS 66 -8.011 -6.951 -11.255 547 HZ1 LYS 66 3HZ LYS 66 -9.246 -7.847 -9.309 548 HZ2 LYS 66 1HZ LYS 66 -10.069 -8.011 -10.779 549 HZ3 LYS 66 2HZ LYS 66 -10.522 -6.803 -9.687 550 H GLU 67 H GLU 67 -3.099 -7.287 -9.052 551 HA GLU 67 HA GLU 67 -2.617 -9.105 -11.146 552 HB2 GLU 67 2HB GLU 67 -1.499 -6.801 -10.548 553 HB3 GLU 67 3HB GLU 67 -0.357 -7.799 -9.657 554 HG2 GLU 67 2HG GLU 67 0.559 -7.366 -11.812 555 HG3 GLU 67 3HG GLU 67 0.081 -9.064 -11.762 556 H PHE 68 H PHE 68 -1.736 -9.211 -7.727 557 HA PHE 68 HA PHE 68 -0.406 -11.810 -8.156 558 HB2 PHE 68 2HB PHE 68 -0.244 -9.928 -5.787 559 HB3 PHE 68 3HB PHE 68 0.633 -11.448 -5.947 560 HD1 PHE 68 HD1 PHE 68 2.473 -11.658 -7.564 561 HD2 PHE 68 HD2 PHE 68 0.456 -7.958 -6.976 562 HE1 PHE 68 HE1 PHE 68 4.301 -10.482 -8.711 563 HE2 PHE 68 HE2 PHE 68 2.281 -6.775 -8.123 564 HZ PHE 68 HZ PHE 68 4.209 -8.039 -8.993 565 H ASN 69 H ASN 69 -3.401 -10.856 -7.547 566 HA ASN 69 HA ASN 69 -5.255 -11.755 -6.593 567 HB2 ASN 69 2HB ASN 69 -3.507 -14.224 -6.424 568 HB3 ASN 69 3HB ASN 69 -5.254 -14.211 -6.199 569 HD21 ASN 69 1HD2 ASN 69 -2.662 -13.875 -8.474 570 HD22 ASN 69 2HD2 ASN 69 -3.622 -14.021 -9.902 571 H ILE 70 H ILE 70 -3.256 -10.444 -4.851 572 HA ILE 70 HA ILE 70 -3.675 -11.800 -2.279 573 HB ILE 70 HB ILE 70 -2.146 -10.098 -1.330 574 HG12 ILE 70 2HG1 ILE 70 -1.907 -9.148 -4.199 575 HG13 ILE 70 3HG1 ILE 70 -2.606 -8.242 -2.860 576 HG21 ILE 70 1HG2 ILE 70 -0.087 -10.911 -2.397 577 HG22 ILE 70 2HG2 ILE 70 -1.040 -11.555 -3.734 578 HG23 ILE 70 3HG2 ILE 70 -1.239 -12.215 -2.111 579 HD11 ILE 70 3HD1 ILE 70 -0.405 -8.210 -1.767 580 HD12 ILE 70 1HD1 ILE 70 -0.392 -7.435 -3.352 581 HD13 ILE 70 2HD1 ILE 70 0.278 -9.056 -3.158 582 H THR 71 H THR 71 -4.521 -10.628 -0.450 583 HA THR 71 HA THR 71 -6.769 -8.936 -1.208 584 HB THR 71 HB THR 71 -7.450 -9.180 1.189 585 HG1 THR 71 HG1 THR 71 -5.584 -11.235 1.545 586 HG21 THR 71 3HG2 THR 71 -8.287 -10.724 -0.528 587 HG22 THR 71 1HG2 THR 71 -8.079 -11.544 1.021 588 HG23 THR 71 2HG2 THR 71 -6.894 -11.773 -0.264 589 H VAL 72 H VAL 72 -7.160 -6.858 -0.457 590 HA VAL 72 HA VAL 72 -5.052 -5.522 1.086 591 HB VAL 72 HB VAL 72 -4.476 -5.241 -1.321 592 HG11 VAL 72 1HG1 VAL 72 -7.066 -3.687 -1.484 593 HG12 VAL 72 2HG1 VAL 72 -6.753 -5.251 -2.238 594 HG13 VAL 72 3HG1 VAL 72 -5.851 -3.827 -2.757 595 HG21 VAL 72 3HG2 VAL 72 -4.141 -2.809 -1.240 596 HG22 VAL 72 1HG2 VAL 72 -3.774 -3.564 0.311 597 HG23 VAL 72 2HG2 VAL 72 -5.292 -2.693 0.093 598 H THR 73 H THR 73 -5.818 -4.049 2.496 599 HA THR 73 HA THR 73 -8.441 -2.784 1.959 600 HB THR 73 HB THR 73 -8.938 -2.705 4.358 601 HG1 THR 73 HG1 THR 73 -7.586 -3.522 5.865 602 HG21 THR 73 3HG2 THR 73 -9.380 -5.094 4.756 603 HG22 THR 73 1HG2 THR 73 -8.307 -5.510 3.420 604 HG23 THR 73 2HG2 THR 73 -9.797 -4.619 3.110 605 H TYR 74 H TYR 74 -8.578 -0.570 2.443 606 HA TYR 74 HA TYR 74 -6.116 0.675 3.450 607 HB2 TYR 74 2HB TYR 74 -6.389 2.502 1.740 608 HB3 TYR 74 3HB TYR 74 -5.902 0.941 1.103 609 HD1 TYR 74 HD2 TYR 74 -7.636 -0.493 -0.069 610 HD2 TYR 74 HD1 TYR 74 -8.354 3.587 0.941 611 HE1 TYR 74 HE2 TYR 74 -9.451 -0.403 -1.727 612 HE2 TYR 74 HE1 TYR 74 -10.165 3.680 -0.717 613 HH TYR 74 HH TYR 74 -11.538 0.963 -2.117 614 H THR 75 H THR 75 -6.530 1.753 5.208 615 HA THR 75 HA THR 75 -9.151 3.062 5.576 616 HB THR 75 HB THR 75 -7.037 2.352 7.633 617 HG1 THR 75 HG1 THR 75 -8.070 0.516 7.698 618 HG21 THR 75 3HG2 THR 75 -8.259 4.378 8.287 619 HG22 THR 75 1HG2 THR 75 -8.708 3.014 9.311 620 HG23 THR 75 2HG2 THR 75 -9.791 3.544 8.024 621 H ILE 76 H ILE 76 -9.278 5.235 5.506 622 HA ILE 76 HA ILE 76 -6.740 6.763 5.499 623 HB ILE 76 HB ILE 76 -9.245 7.379 3.911 624 HG12 ILE 76 2HG1 ILE 76 -6.596 6.207 3.027 625 HG13 ILE 76 3HG1 ILE 76 -8.132 5.353 3.091 626 HG21 ILE 76 1HG2 ILE 76 -7.828 9.037 2.759 627 HG22 ILE 76 2HG2 ILE 76 -6.501 8.654 3.857 628 HG23 ILE 76 3HG2 ILE 76 -7.979 9.387 4.481 629 HD11 ILE 76 3HD1 ILE 76 -7.472 7.678 1.301 630 HD12 ILE 76 1HD1 ILE 76 -9.020 6.835 1.365 631 HD13 ILE 76 2HD1 ILE 76 -7.572 5.984 0.825 632 H ARG 77 H ARG 77 -6.596 8.605 6.674 633 HA ARG 77 HA ARG 77 -9.053 9.685 7.902 634 HB2 ARG 77 2HB ARG 77 -7.778 10.260 9.925 635 HB3 ARG 77 3HB ARG 77 -7.806 8.528 9.640 636 HG2 ARG 77 2HG ARG 77 -5.528 8.600 8.790 637 HG3 ARG 77 3HG ARG 77 -5.493 10.355 8.985 638 HD2 ARG 77 2HD ARG 77 -5.872 10.041 11.422 639 HD3 ARG 77 3HD ARG 77 -5.777 8.298 11.181 640 HE ARG 77 HE ARG 77 -3.445 8.879 10.257 641 HH11 ARG 77 1HH1 ARG 77 -5.007 10.449 12.904 642 HH12 ARG 77 2HH1 ARG 77 -3.513 10.919 13.637 643 HH21 ARG 77 1HH2 ARG 77 -1.540 9.459 11.239 644 HH22 ARG 77 2HH2 ARG 77 -1.581 10.365 12.711 645 H LEU 78 H LEU 78 -9.359 11.844 7.719 646 HA LEU 78 HA LEU 78 -7.183 13.472 6.599 647 HB2 LEU 78 2HB LEU 78 -8.874 14.433 4.965 648 HB3 LEU 78 3HB LEU 78 -8.269 12.824 4.637 649 HG LEU 78 HG LEU 78 -10.404 11.925 5.681 650 HD11 LEU 78 1HD1 LEU 78 -12.340 13.438 5.744 651 HD12 LEU 78 2HD1 LEU 78 -11.272 14.806 5.426 652 HD13 LEU 78 3HD1 LEU 78 -11.109 13.889 6.923 653 HD21 LEU 78 3HD2 LEU 78 -11.726 12.300 3.655 654 HD22 LEU 78 1HD2 LEU 78 -10.036 11.960 3.273 655 HD23 LEU 78 2HD2 LEU 78 -10.645 13.615 3.191 656 H GLU 79 H GLU 79 -7.799 15.834 6.436 657 HA GLU 79 HA GLU 79 -8.553 16.800 8.992 658 HB2 GLU 79 2HB GLU 79 -8.199 18.249 6.354 659 HB3 GLU 79 3HB GLU 79 -8.373 19.049 7.911 660 HG2 GLU 79 2HG GLU 79 -6.300 18.195 8.685 661 HG3 GLU 79 3HG GLU 79 -6.174 17.080 7.326 662 H HIS 80 H HIS 80 -10.682 15.934 9.330 663 HA HIS 80 HA HIS 80 -12.901 16.714 7.710 664 HB2 HIS 80 2HB HIS 80 -14.300 15.817 9.535 665 HB3 HIS 80 3HB HIS 80 -13.022 14.697 9.081 666 HD1 HIS 80 HD1 HIS 80 -14.410 16.516 11.945 667 HD2 HIS 80 HD2 HIS 80 -10.859 14.569 11.017 668 HE1 HIS 80 HE1 HIS 80 -13.257 16.141 14.139 669 HE2 HIS 80 HE2 HIS 80 -11.181 14.845 13.567 670 H HIS 81 H HIS 81 -14.054 18.551 7.714 671 HA HIS 81 HA HIS 81 -13.123 20.750 9.324 672 HB2 HIS 81 2HB HIS 81 -15.335 20.630 7.260 673 HB3 HIS 81 3HB HIS 81 -14.694 22.105 7.978 674 HD1 HIS 81 HD1 HIS 81 -14.555 20.821 4.890 675 HD2 HIS 81 HD2 HIS 81 -11.502 21.535 7.614 676 HE1 HIS 81 HE1 HIS 81 -12.462 21.008 3.519 677 HE2 HIS 81 HE2 HIS 81 -10.653 21.570 5.175 678 H HIS 82 H HIS 82 -14.378 22.095 10.661 679 HA HIS 82 HA HIS 82 -16.515 20.673 12.112 680 HB2 HIS 82 2HB HIS 82 -14.465 21.314 13.367 681 HB3 HIS 82 3HB HIS 82 -14.780 23.000 12.987 682 HD1 HIS 82 HD1 HIS 82 -15.896 20.208 15.192 683 HD2 HIS 82 HD2 HIS 82 -16.833 24.199 14.496 684 HE1 HIS 82 HE1 HIS 82 -17.327 20.913 17.131 685 HE2 HIS 82 HE2 HIS 82 -17.793 23.350 16.744 686 H HIS 83 H HIS 83 -18.506 21.286 11.366 687 HA HIS 83 HA HIS 83 -18.934 24.147 10.761 688 HB2 HIS 83 2HB HIS 83 -20.323 21.707 9.638 689 HB3 HIS 83 3HB HIS 83 -20.858 23.357 9.343 690 HD1 HIS 83 HD1 HIS 83 -20.130 21.763 6.924 691 HD2 HIS 83 HD2 HIS 83 -17.332 23.992 9.041 692 HE1 HIS 83 HE1 HIS 83 -18.261 22.199 5.315 693 HE2 HIS 83 HE2 HIS 83 -16.680 23.708 6.556 694 H HIS 84 H HIS 84 -21.197 21.472 11.553 695 HA HIS 84 HA HIS 84 -23.041 21.399 12.880 696 HB2 HIS 84 2HB HIS 84 -21.394 23.348 14.500 697 HB3 HIS 84 3HB HIS 84 -22.978 22.790 15.026 698 HD1 HIS 84 HD1 HIS 84 -23.160 20.405 15.920 699 HD2 HIS 84 HD2 HIS 84 -19.349 21.390 14.583 700 HE1 HIS 84 HE1 HIS 84 -21.660 18.572 16.749 701 HE2 HIS 84 HE2 HIS 84 -19.346 19.267 16.060 702 H HIS 85 H HIS 85 -23.065 23.111 10.616 703 HA HIS 85 HA HIS 85 -25.193 24.984 11.424 704 HB2 HIS 85 2HB HIS 85 -22.942 25.576 9.482 705 HB3 HIS 85 3HB HIS 85 -24.383 26.576 9.647 706 HD1 HIS 85 HD1 HIS 85 -21.039 26.631 10.665 707 HD2 HIS 85 HD2 HIS 85 -24.627 27.228 12.677 708 HE1 HIS 85 HE1 HIS 85 -20.450 27.946 12.716 709 HE2 HIS 85 HE2 HIS 85 -22.652 28.428 13.832 Start of MODEL 18 1 H1 MET 1 1H MET 1 -1.612 14.376 7.069 2 H2 MET 1 2H MET 1 -2.575 15.306 6.041 3 H3 MET 1 3H MET 1 -1.240 14.468 5.423 4 HA MET 1 HA MET 1 -3.650 13.219 6.608 5 HB2 MET 1 2HB MET 1 -4.041 14.326 4.410 6 HB3 MET 1 3HB MET 1 -2.766 13.340 3.714 7 HG2 MET 1 2HG MET 1 -4.085 11.315 4.294 8 HG3 MET 1 3HG MET 1 -5.386 12.371 4.843 9 HE1 MET 1 3HE MET 1 -3.204 11.245 1.795 10 HE2 MET 1 1HE MET 1 -2.987 12.996 1.788 11 HE3 MET 1 2HE MET 1 -3.881 12.215 0.485 12 H GLU 2 H GLU 2 -3.645 10.944 6.658 13 HA GLU 2 HA GLU 2 -1.142 9.589 5.881 14 HB2 GLU 2 2HB GLU 2 -2.660 9.135 8.464 15 HB3 GLU 2 3HB GLU 2 -1.279 8.195 7.917 16 HG2 GLU 2 2HG GLU 2 0.085 10.278 7.985 17 HG3 GLU 2 3HG GLU 2 -1.300 11.105 8.699 18 H MET 3 H MET 3 -1.350 7.531 5.047 19 HA MET 3 HA MET 3 -4.048 6.352 4.985 20 HB2 MET 3 2HB MET 3 -3.721 5.720 2.609 21 HB3 MET 3 3HB MET 3 -3.816 7.455 2.854 22 HG2 MET 3 2HG MET 3 -1.347 7.574 2.723 23 HG3 MET 3 3HG MET 3 -1.316 5.847 2.359 24 HE1 MET 3 3HE MET 3 -4.004 5.639 0.586 25 HE2 MET 3 1HE MET 3 -2.514 4.802 0.157 26 HE3 MET 3 2HE MET 3 -3.344 5.793 -1.043 27 H ASP 4 H ASP 4 -4.012 4.399 5.795 28 HA ASP 4 HA ASP 4 -1.508 2.859 5.886 29 HB2 ASP 4 2HB ASP 4 -2.720 3.393 8.004 30 HB3 ASP 4 3HB ASP 4 -4.096 2.470 7.418 31 H ILE 5 H ILE 5 -1.278 1.343 4.332 32 HA ILE 5 HA ILE 5 -3.691 0.103 3.178 33 HB ILE 5 HB ILE 5 -0.910 0.213 1.986 34 HG12 ILE 5 2HG1 ILE 5 -3.383 1.855 1.347 35 HG13 ILE 5 3HG1 ILE 5 -1.921 2.454 2.123 36 HG21 ILE 5 1HG2 ILE 5 -3.553 -0.648 0.791 37 HG22 ILE 5 2HG2 ILE 5 -2.216 -1.713 1.228 38 HG23 ILE 5 3HG2 ILE 5 -2.019 -0.540 -0.074 39 HD11 ILE 5 3HD1 ILE 5 -0.656 1.981 0.085 40 HD12 ILE 5 1HD1 ILE 5 -1.992 3.094 -0.204 41 HD13 ILE 5 2HD1 ILE 5 -2.134 1.405 -0.690 42 H ARG 6 H ARG 6 -4.120 -1.935 3.665 43 HA ARG 6 HA ARG 6 -2.068 -3.541 5.042 44 HB2 ARG 6 2HB ARG 6 -5.093 -3.714 5.087 45 HB3 ARG 6 3HB ARG 6 -4.018 -4.788 5.973 46 HG2 ARG 6 2HG ARG 6 -3.394 -3.150 7.483 47 HG3 ARG 6 3HG ARG 6 -3.796 -1.833 6.380 48 HD2 ARG 6 2HD ARG 6 -5.379 -1.982 8.251 49 HD3 ARG 6 3HD ARG 6 -6.167 -2.252 6.697 50 HE ARG 6 HE ARG 6 -5.351 -4.568 8.303 51 HH11 ARG 6 1HH1 ARG 6 -7.841 -2.647 6.897 52 HH12 ARG 6 2HH1 ARG 6 -9.095 -3.764 7.304 53 HH21 ARG 6 1HH2 ARG 6 -6.986 -6.009 8.811 54 HH22 ARG 6 2HH2 ARG 6 -8.616 -5.636 8.369 55 H PHE 7 H PHE 7 -1.046 -4.813 3.573 56 HA PHE 7 HA PHE 7 -2.569 -6.200 1.493 57 HB2 PHE 7 2HB PHE 7 0.395 -6.000 2.053 58 HB3 PHE 7 3HB PHE 7 -0.274 -7.014 0.783 59 HD1 PHE 7 HD1 PHE 7 -1.348 -5.997 -1.185 60 HD2 PHE 7 HD2 PHE 7 0.555 -3.620 1.796 61 HE1 PHE 7 HE1 PHE 7 -1.278 -4.100 -2.747 62 HE2 PHE 7 HE2 PHE 7 0.625 -1.718 0.235 63 HZ PHE 7 HZ PHE 7 -0.288 -1.959 -2.042 64 H ARG 8 H ARG 8 -2.770 -8.420 1.332 65 HA ARG 8 HA ARG 8 -1.348 -10.139 3.225 66 HB2 ARG 8 2HB ARG 8 -3.415 -9.955 4.382 67 HB3 ARG 8 3HB ARG 8 -4.352 -10.087 2.897 68 HG2 ARG 8 2HG ARG 8 -3.731 -12.417 2.664 69 HG3 ARG 8 3HG ARG 8 -2.674 -12.305 4.072 70 HD2 ARG 8 2HD ARG 8 -5.635 -11.763 4.215 71 HD3 ARG 8 3HD ARG 8 -4.952 -13.376 4.421 72 HE ARG 8 HE ARG 8 -3.956 -11.229 6.141 73 HH11 ARG 8 1HH1 ARG 8 -5.842 -14.097 5.784 74 HH12 ARG 8 2HH1 ARG 8 -5.970 -14.352 7.490 75 HH21 ARG 8 1HH2 ARG 8 -4.055 -11.620 8.318 76 HH22 ARG 8 2HH2 ARG 8 -4.962 -12.979 8.905 77 H GLY 9 H GLY 9 -0.345 -11.687 2.116 78 HA2 GLY 9 2HA GLY 9 -1.668 -13.141 0.006 79 HA3 GLY 9 3HA GLY 9 -0.387 -12.092 -0.585 80 H ASP 10 H ASP 10 -0.470 -14.938 -0.786 81 HA ASP 10 HA ASP 10 1.463 -15.938 1.147 82 HB2 ASP 10 2HB ASP 10 -0.370 -17.402 0.482 83 HB3 ASP 10 3HB ASP 10 0.107 -17.274 -1.211 84 H ASP 11 H ASP 11 1.375 -14.851 -2.177 85 HA ASP 11 HA ASP 11 3.854 -15.905 -3.032 86 HB2 ASP 11 2HB ASP 11 2.304 -13.489 -3.998 87 HB3 ASP 11 3HB ASP 11 3.688 -14.186 -4.837 88 H LEU 12 H LEU 12 5.857 -15.386 -2.433 89 HA LEU 12 HA LEU 12 6.450 -13.342 -0.576 90 HB2 LEU 12 2HB LEU 12 7.749 -15.428 -0.822 91 HB3 LEU 12 3HB LEU 12 8.332 -14.872 -2.380 92 HG LEU 12 HG LEU 12 9.438 -12.950 -1.223 93 HD11 LEU 12 1HD1 LEU 12 8.622 -14.422 1.284 94 HD12 LEU 12 2HD1 LEU 12 8.048 -12.836 0.767 95 HD13 LEU 12 3HD1 LEU 12 9.741 -13.061 1.208 96 HD21 LEU 12 3HD2 LEU 12 11.280 -14.274 -0.292 97 HD22 LEU 12 1HD2 LEU 12 10.706 -14.942 -1.819 98 HD23 LEU 12 2HD2 LEU 12 10.253 -15.708 -0.294 99 H GLU 13 H GLU 13 6.925 -13.553 -4.085 100 HA GLU 13 HA GLU 13 8.320 -11.175 -4.508 101 HB2 GLU 13 2HB GLU 13 7.924 -12.917 -6.234 102 HB3 GLU 13 3HB GLU 13 6.239 -12.427 -6.320 103 HG2 GLU 13 2HG GLU 13 7.356 -11.457 -8.175 104 HG3 GLU 13 3HG GLU 13 7.019 -10.156 -7.035 105 H ALA 14 H ALA 14 4.855 -11.722 -4.090 106 HA ALA 14 HA ALA 14 3.880 -9.198 -4.808 107 HB1 ALA 14 3HB ALA 14 2.806 -11.081 -2.703 108 HB2 ALA 14 1HB ALA 14 2.433 -11.130 -4.425 109 HB3 ALA 14 2HB ALA 14 1.918 -9.752 -3.452 110 H PHE 15 H PHE 15 5.135 -10.373 -1.709 111 HA PHE 15 HA PHE 15 4.626 -8.191 -0.076 112 HB2 PHE 15 2HB PHE 15 5.490 -10.049 1.036 113 HB3 PHE 15 3HB PHE 15 6.786 -10.274 -0.130 114 HD1 PHE 15 HD2 PHE 15 5.638 -7.839 2.464 115 HD2 PHE 15 HD1 PHE 15 8.932 -9.643 0.453 116 HE1 PHE 15 HE2 PHE 15 7.197 -6.664 3.962 117 HE2 PHE 15 HE1 PHE 15 10.491 -8.471 1.947 118 HZ PHE 15 HZ PHE 15 9.625 -6.976 3.705 119 H GLU 16 H GLU 16 7.637 -8.769 -1.929 120 HA GLU 16 HA GLU 16 8.732 -6.239 -1.211 121 HB2 GLU 16 2HB GLU 16 10.160 -8.166 -1.725 122 HB3 GLU 16 3HB GLU 16 9.597 -8.150 -3.392 123 HG2 GLU 16 2HG GLU 16 10.644 -6.042 -3.805 124 HG3 GLU 16 3HG GLU 16 11.028 -5.835 -2.097 125 H LYS 17 H LYS 17 7.092 -7.422 -4.141 126 HA LYS 17 HA LYS 17 7.599 -5.153 -5.738 127 HB2 LYS 17 2HB LYS 17 5.493 -7.299 -5.845 128 HB3 LYS 17 3HB LYS 17 5.484 -5.962 -6.989 129 HG2 LYS 17 2HG LYS 17 7.789 -7.865 -6.570 130 HG3 LYS 17 3HG LYS 17 6.600 -7.968 -7.873 131 HD2 LYS 17 2HD LYS 17 7.305 -5.845 -8.766 132 HD3 LYS 17 3HD LYS 17 8.369 -5.566 -7.387 133 HE2 LYS 17 2HE LYS 17 9.776 -7.421 -8.058 134 HE3 LYS 17 3HE LYS 17 8.677 -7.812 -9.384 135 HZ1 LYS 17 3HZ LYS 17 9.235 -5.832 -10.496 136 HZ2 LYS 17 1HZ LYS 17 10.706 -6.495 -9.995 137 HZ3 LYS 17 2HZ LYS 17 10.035 -5.187 -9.155 138 H ALA 18 H ALA 18 4.775 -5.908 -3.682 139 HA ALA 18 HA ALA 18 3.319 -3.574 -4.280 140 HB1 ALA 18 3HB ALA 18 2.072 -4.026 -2.227 141 HB2 ALA 18 1HB ALA 18 3.304 -5.188 -1.728 142 HB3 ALA 18 2HB ALA 18 2.325 -5.499 -3.162 143 H LEU 19 H LEU 19 5.561 -4.232 -1.581 144 HA LEU 19 HA LEU 19 5.530 -1.658 -0.446 145 HB2 LEU 19 2HB LEU 19 6.453 -3.630 0.682 146 HB3 LEU 19 3HB LEU 19 7.744 -3.718 -0.500 147 HG LEU 19 HG LEU 19 8.579 -1.504 0.305 148 HD11 LEU 19 1HD1 LEU 19 6.513 -1.861 2.482 149 HD12 LEU 19 2HD1 LEU 19 6.483 -0.632 1.216 150 HD13 LEU 19 3HD1 LEU 19 7.763 -0.616 2.428 151 HD21 LEU 19 3HD2 LEU 19 9.547 -3.601 1.120 152 HD22 LEU 19 1HD2 LEU 19 8.357 -3.647 2.422 153 HD23 LEU 19 2HD2 LEU 19 9.559 -2.358 2.371 154 H LYS 20 H LYS 20 7.515 -3.045 -3.010 155 HA LYS 20 HA LYS 20 9.413 -1.019 -3.315 156 HB2 LYS 20 2HB LYS 20 9.678 -3.196 -4.352 157 HB3 LYS 20 3HB LYS 20 8.252 -2.941 -5.344 158 HG2 LYS 20 2HG LYS 20 10.237 -2.667 -6.677 159 HG3 LYS 20 3HG LYS 20 9.415 -1.115 -6.518 160 HD2 LYS 20 2HD LYS 20 11.001 -0.423 -4.799 161 HD3 LYS 20 3HD LYS 20 11.791 -1.999 -4.874 162 HE2 LYS 20 2HE LYS 20 12.414 -1.580 -7.207 163 HE3 LYS 20 3HE LYS 20 11.613 -0.011 -7.139 164 HZ1 LYS 20 3HZ LYS 20 13.946 -0.831 -5.496 165 HZ2 LYS 20 1HZ LYS 20 13.187 0.680 -5.443 166 HZ3 LYS 20 2HZ LYS 20 13.997 0.193 -6.843 167 H GLU 21 H GLU 21 6.385 -1.512 -5.164 168 HA GLU 21 HA GLU 21 6.701 0.783 -6.771 169 HB2 GLU 21 2HB GLU 21 4.211 -0.793 -6.097 170 HB3 GLU 21 3HB GLU 21 4.291 0.455 -7.334 171 HG2 GLU 21 2HG GLU 21 5.863 -2.121 -7.300 172 HG3 GLU 21 3HG GLU 21 4.473 -1.758 -8.321 173 H MET 22 H MET 22 4.866 0.320 -3.737 174 HA MET 22 HA MET 22 3.627 2.833 -3.674 175 HB2 MET 22 2HB MET 22 4.594 1.190 -1.321 176 HB3 MET 22 3HB MET 22 3.462 2.533 -1.227 177 HG2 MET 22 2HG MET 22 3.048 -0.139 -2.535 178 HG3 MET 22 3HG MET 22 2.187 0.537 -1.156 179 HE1 MET 22 3HE MET 22 1.734 3.566 -2.182 180 HE2 MET 22 1HE MET 22 0.482 2.625 -1.373 181 HE3 MET 22 2HE MET 22 0.130 3.424 -2.904 182 H ILE 23 H ILE 23 6.776 1.878 -2.258 183 HA ILE 23 HA ILE 23 7.521 4.495 -1.441 184 HB ILE 23 HB ILE 23 9.304 2.146 -2.153 185 HG12 ILE 23 2HG1 ILE 23 8.225 3.074 0.528 186 HG13 ILE 23 3HG1 ILE 23 7.709 1.635 -0.346 187 HG21 ILE 23 1HG2 ILE 23 10.552 4.243 -2.186 188 HG22 ILE 23 2HG2 ILE 23 11.017 3.268 -0.792 189 HG23 ILE 23 3HG2 ILE 23 9.942 4.651 -0.582 190 HD11 ILE 23 3HD1 ILE 23 9.963 0.698 -0.096 191 HD12 ILE 23 1HD1 ILE 23 9.210 1.056 1.457 192 HD13 ILE 23 2HD1 ILE 23 10.446 2.132 0.810 193 H ARG 24 H ARG 24 7.974 2.684 -4.418 194 HA ARG 24 HA ARG 24 9.816 4.254 -5.780 195 HB2 ARG 24 2HB ARG 24 9.021 2.040 -6.502 196 HB3 ARG 24 3HB ARG 24 7.450 2.720 -6.883 197 HG2 ARG 24 2HG ARG 24 8.459 4.076 -8.651 198 HG3 ARG 24 3HG ARG 24 10.047 3.405 -8.257 199 HD2 ARG 24 2HD ARG 24 9.260 1.163 -8.801 200 HD3 ARG 24 3HD ARG 24 7.646 1.788 -9.128 201 HE ARG 24 HE ARG 24 9.544 3.076 -10.775 202 HH11 ARG 24 1HH1 ARG 24 7.931 0.044 -10.374 203 HH12 ARG 24 2HH1 ARG 24 8.022 -0.337 -12.060 204 HH21 ARG 24 1HH2 ARG 24 9.665 2.559 -12.909 205 HH22 ARG 24 2HH2 ARG 24 9.002 1.071 -13.483 206 H GLN 25 H GLN 25 6.242 4.532 -5.852 207 HA GLN 25 HA GLN 25 6.278 6.980 -7.342 208 HB2 GLN 25 2HB GLN 25 4.121 5.525 -5.823 209 HB3 GLN 25 3HB GLN 25 3.835 7.123 -6.491 210 HG2 GLN 25 2HG GLN 25 2.988 5.588 -8.061 211 HG3 GLN 25 3HG GLN 25 4.498 6.196 -8.734 212 HE21 GLN 25 1HE2 GLN 25 6.260 4.800 -8.900 213 HE22 GLN 25 2HE2 GLN 25 6.081 3.089 -8.763 214 H ALA 26 H ALA 26 6.018 6.197 -3.892 215 HA ALA 26 HA ALA 26 5.291 8.697 -2.899 216 HB1 ALA 26 3HB ALA 26 6.111 7.934 -0.751 217 HB2 ALA 26 1HB ALA 26 7.043 6.656 -1.532 218 HB3 ALA 26 2HB ALA 26 5.280 6.622 -1.585 219 H ARG 27 H ARG 27 8.455 7.571 -3.911 220 HA ARG 27 HA ARG 27 10.116 9.430 -2.669 221 HB2 ARG 27 2HB ARG 27 10.356 8.067 -5.353 222 HB3 ARG 27 3HB ARG 27 11.631 9.072 -4.677 223 HG2 ARG 27 2HG ARG 27 11.798 7.572 -2.750 224 HG3 ARG 27 3HG ARG 27 10.518 6.563 -3.428 225 HD2 ARG 27 2HD ARG 27 12.774 5.659 -3.871 226 HD3 ARG 27 3HD ARG 27 11.893 6.041 -5.351 227 HE ARG 27 HE ARG 27 13.367 8.287 -4.806 228 HH11 ARG 27 1HH1 ARG 27 14.110 4.961 -5.330 229 HH12 ARG 27 2HH1 ARG 27 15.663 5.304 -6.001 230 HH21 ARG 27 1HH2 ARG 27 15.329 8.716 -5.687 231 HH22 ARG 27 2HH2 ARG 27 16.345 7.415 -6.204 232 H LYS 28 H LYS 28 8.009 9.859 -5.435 233 HA LYS 28 HA LYS 28 9.187 12.328 -6.319 234 HB2 LYS 28 2HB LYS 28 6.478 11.112 -6.919 235 HB3 LYS 28 3HB LYS 28 7.156 12.513 -7.738 236 HG2 LYS 28 2HG LYS 28 8.337 9.736 -7.748 237 HG3 LYS 28 3HG LYS 28 7.397 10.458 -9.052 238 HD2 LYS 28 2HD LYS 28 9.969 11.663 -8.019 239 HD3 LYS 28 3HD LYS 28 9.922 10.483 -9.326 240 HE2 LYS 28 2HE LYS 28 10.033 12.702 -10.265 241 HE3 LYS 28 3HE LYS 28 8.451 12.011 -10.606 242 HZ1 LYS 28 3HZ LYS 28 8.395 14.356 -9.891 243 HZ2 LYS 28 1HZ LYS 28 8.997 13.896 -8.383 244 HZ3 LYS 28 2HZ LYS 28 7.486 13.342 -8.898 245 H PHE 29 H PHE 29 7.205 11.530 -3.707 246 HA PHE 29 HA PHE 29 6.237 14.314 -3.440 247 HB2 PHE 29 2HB PHE 29 4.901 11.877 -2.243 248 HB3 PHE 29 3HB PHE 29 4.258 13.512 -2.349 249 HD1 PHE 29 HD1 PHE 29 3.791 14.447 -4.702 250 HD2 PHE 29 HD2 PHE 29 4.434 10.306 -3.911 251 HE1 PHE 29 HE1 PHE 29 2.702 13.868 -6.832 252 HE2 PHE 29 HE2 PHE 29 3.347 9.728 -6.040 253 HZ PHE 29 HZ PHE 29 2.481 11.509 -7.502 254 H ALA 30 H ALA 30 5.621 14.698 -0.985 255 HA ALA 30 HA ALA 30 7.998 14.285 0.600 256 HB1 ALA 30 3HB ALA 30 6.862 15.648 2.274 257 HB2 ALA 30 1HB ALA 30 5.350 15.522 1.372 258 HB3 ALA 30 2HB ALA 30 6.720 16.387 0.679 259 H GLY 31 H GLY 31 6.862 11.790 -0.035 260 HA2 GLY 31 2HA GLY 31 5.132 10.965 2.171 261 HA3 GLY 31 3HA GLY 31 5.492 10.042 0.729 262 H THR 32 H THR 32 5.889 10.074 3.955 263 HA THR 32 HA THR 32 8.379 8.507 3.917 264 HB THR 32 HB THR 32 6.709 9.407 6.289 265 HG1 THR 32 HG1 THR 32 8.835 10.672 6.554 266 HG21 THR 32 3HG2 THR 32 9.450 8.123 6.204 267 HG22 THR 32 1HG2 THR 32 7.965 7.343 6.750 268 HG23 THR 32 2HG2 THR 32 8.627 8.706 7.650 269 H VAL 33 H VAL 33 8.189 6.355 3.649 270 HA VAL 33 HA VAL 33 5.604 5.077 4.289 271 HB VAL 33 HB VAL 33 7.762 4.108 2.395 272 HG11 VAL 33 1HG1 VAL 33 6.462 2.274 3.329 273 HG12 VAL 33 2HG1 VAL 33 6.068 2.504 1.627 274 HG13 VAL 33 3HG1 VAL 33 4.959 3.077 2.873 275 HG21 VAL 33 3HG2 VAL 33 6.715 6.140 1.546 276 HG22 VAL 33 1HG2 VAL 33 5.113 5.441 1.786 277 HG23 VAL 33 2HG2 VAL 33 6.212 4.747 0.592 278 H THR 34 H THR 34 5.487 3.575 5.838 279 HA THR 34 HA THR 34 7.909 2.048 6.561 280 HB THR 34 HB THR 34 7.583 3.694 8.338 281 HG1 THR 34 HG1 THR 34 7.369 2.142 10.076 282 HG21 THR 34 3HG2 THR 34 5.569 3.649 9.750 283 HG22 THR 34 1HG2 THR 34 4.834 2.468 8.664 284 HG23 THR 34 2HG2 THR 34 5.181 4.100 8.090 285 H TYR 35 H TYR 35 7.376 -0.027 7.721 286 HA TYR 35 HA TYR 35 4.743 -1.116 7.158 287 HB2 TYR 35 2HB TYR 35 5.614 -2.943 5.728 288 HB3 TYR 35 3HB TYR 35 5.799 -1.358 4.989 289 HD1 TYR 35 HD2 TYR 35 8.105 -0.252 5.071 290 HD2 TYR 35 HD1 TYR 35 7.478 -4.355 6.037 291 HE1 TYR 35 HE2 TYR 35 10.498 -0.693 4.731 292 HE2 TYR 35 HE1 TYR 35 9.870 -4.804 5.701 293 HH TYR 35 HH TYR 35 12.190 -2.328 5.424 294 H THR 36 H THR 36 4.309 -3.115 8.126 295 HA THR 36 HA THR 36 6.420 -4.346 9.771 296 HB THR 36 HB THR 36 5.253 -3.047 11.398 297 HG1 THR 36 HG1 THR 36 5.233 -4.744 12.644 298 HG21 THR 36 3HG2 THR 36 3.225 -2.539 10.123 299 HG22 THR 36 1HG2 THR 36 2.823 -3.154 11.728 300 HG23 THR 36 2HG2 THR 36 2.676 -4.204 10.319 301 H LEU 37 H LEU 37 6.423 -6.540 9.755 302 HA LEU 37 HA LEU 37 4.396 -7.867 8.092 303 HB2 LEU 37 2HB LEU 37 7.215 -8.567 8.863 304 HB3 LEU 37 3HB LEU 37 6.131 -9.799 8.251 305 HG LEU 37 HG LEU 37 7.560 -8.954 6.479 306 HD11 LEU 37 1HD1 LEU 37 4.692 -8.077 6.143 307 HD12 LEU 37 2HD1 LEU 37 5.320 -9.705 5.890 308 HD13 LEU 37 3HD1 LEU 37 5.840 -8.388 4.840 309 HD21 LEU 37 3HD2 LEU 37 8.006 -6.723 7.323 310 HD22 LEU 37 1HD2 LEU 37 6.325 -6.258 7.051 311 HD23 LEU 37 2HD2 LEU 37 7.368 -6.641 5.681 312 H ASP 38 H ASP 38 3.111 -9.487 8.789 313 HA ASP 38 HA ASP 38 3.691 -10.814 11.335 314 HB2 ASP 38 2HB ASP 38 2.092 -8.960 11.824 315 HB3 ASP 38 3HB ASP 38 0.954 -9.678 10.687 316 H GLY 39 H GLY 39 4.269 -12.624 10.068 317 HA2 GLY 39 2HA GLY 39 3.945 -14.583 8.910 318 HA3 GLY 39 3HA GLY 39 2.309 -14.534 9.543 319 H ASN 40 H ASN 40 0.647 -13.627 8.272 320 HA ASN 40 HA ASN 40 1.151 -13.840 5.390 321 HB2 ASN 40 2HB ASN 40 -1.487 -13.698 6.875 322 HB3 ASN 40 3HB ASN 40 -1.261 -14.108 5.175 323 HD21 ASN 40 1HD2 ASN 40 -0.954 -15.202 8.450 324 HD22 ASN 40 2HD2 ASN 40 -0.683 -16.868 8.076 325 H ASP 41 H ASP 41 0.388 -11.463 7.797 326 HA ASP 41 HA ASP 41 -0.847 -9.646 5.868 327 HB2 ASP 41 2HB ASP 41 -0.494 -9.368 8.861 328 HB3 ASP 41 3HB ASP 41 -1.416 -8.278 7.829 329 H LEU 42 H LEU 42 -0.132 -7.611 5.405 330 HA LEU 42 HA LEU 42 2.522 -6.752 6.341 331 HB2 LEU 42 2HB LEU 42 2.954 -7.729 4.196 332 HB3 LEU 42 3HB LEU 42 1.555 -6.949 3.486 333 HG LEU 42 HG LEU 42 2.684 -4.743 3.758 334 HD11 LEU 42 1HD1 LEU 42 5.062 -4.652 4.258 335 HD12 LEU 42 2HD1 LEU 42 5.078 -6.389 4.568 336 HD13 LEU 42 3HD1 LEU 42 4.158 -5.314 5.622 337 HD21 LEU 42 3HD2 LEU 42 4.304 -5.062 1.939 338 HD22 LEU 42 1HD2 LEU 42 2.787 -5.907 1.630 339 HD23 LEU 42 2HD2 LEU 42 4.204 -6.808 2.165 340 H GLU 43 H GLU 43 1.958 -4.979 7.503 341 HA GLU 43 HA GLU 43 -0.126 -3.176 6.509 342 HB2 GLU 43 2HB GLU 43 -0.228 -3.910 8.852 343 HB3 GLU 43 3HB GLU 43 1.364 -3.226 9.146 344 HG2 GLU 43 2HG GLU 43 0.507 -0.992 8.713 345 HG3 GLU 43 3HG GLU 43 -1.090 -1.659 8.372 346 H ILE 44 H ILE 44 0.517 -1.635 5.138 347 HA ILE 44 HA ILE 44 3.151 -0.342 5.533 348 HB ILE 44 HB ILE 44 1.517 -0.571 2.990 349 HG12 ILE 44 2HG1 ILE 44 4.135 -1.884 3.780 350 HG13 ILE 44 3HG1 ILE 44 2.577 -2.695 3.663 351 HG21 ILE 44 1HG2 ILE 44 2.745 1.527 3.046 352 HG22 ILE 44 2HG2 ILE 44 3.481 0.427 1.881 353 HG23 ILE 44 3HG2 ILE 44 4.232 0.673 3.459 354 HD11 ILE 44 3HD1 ILE 44 2.523 -2.205 1.258 355 HD12 ILE 44 1HD1 ILE 44 3.927 -3.167 1.720 356 HD13 ILE 44 2HD1 ILE 44 4.108 -1.445 1.394 357 H ARG 45 H ARG 45 2.914 1.576 6.537 358 HA ARG 45 HA ARG 45 0.506 3.192 6.002 359 HB2 ARG 45 2HB ARG 45 0.898 2.551 8.346 360 HB3 ARG 45 3HB ARG 45 2.465 3.343 8.306 361 HG2 ARG 45 2HG ARG 45 1.453 5.503 8.101 362 HG3 ARG 45 3HG ARG 45 -0.146 4.788 7.868 363 HD2 ARG 45 2HD ARG 45 -0.145 3.927 10.119 364 HD3 ARG 45 3HD ARG 45 1.516 4.457 10.367 365 HE ARG 45 HE ARG 45 0.253 6.768 9.815 366 HH11 ARG 45 1HH1 ARG 45 -0.492 4.204 11.989 367 HH12 ARG 45 2HH1 ARG 45 -1.236 5.256 13.139 368 HH21 ARG 45 1HH2 ARG 45 -0.705 8.107 11.323 369 HH22 ARG 45 2HH2 ARG 45 -1.353 7.425 12.773 370 H ILE 46 H ILE 46 0.710 4.882 4.699 371 HA ILE 46 HA ILE 46 3.377 6.079 4.290 372 HB ILE 46 HB ILE 46 0.942 6.277 2.497 373 HG12 ILE 46 2HG1 ILE 46 3.441 4.579 2.204 374 HG13 ILE 46 3HG1 ILE 46 1.834 3.976 2.586 375 HG21 ILE 46 1HG2 ILE 46 2.524 7.187 0.846 376 HG22 ILE 46 2HG2 ILE 46 3.812 7.117 2.048 377 HG23 ILE 46 3HG2 ILE 46 2.438 8.195 2.290 378 HD11 ILE 46 3HD1 ILE 46 2.376 3.603 0.258 379 HD12 ILE 46 1HD1 ILE 46 2.655 5.327 0.024 380 HD13 ILE 46 2HD1 ILE 46 1.035 4.739 0.404 381 H THR 47 H THR 47 3.751 8.087 4.990 382 HA THR 47 HA THR 47 1.453 9.805 5.738 383 HB THR 47 HB THR 47 4.152 9.621 7.109 384 HG1 THR 47 HG1 THR 47 1.834 9.027 8.514 385 HG21 THR 47 3HG2 THR 47 3.214 11.882 7.227 386 HG22 THR 47 1HG2 THR 47 3.164 11.098 8.807 387 HG23 THR 47 2HG2 THR 47 1.694 11.229 7.840 388 H GLY 48 H GLY 48 1.453 11.900 4.986 389 HA2 GLY 48 2HA GLY 48 2.672 13.959 4.619 390 HA3 GLY 48 3HA GLY 48 4.018 13.013 4.017 391 H VAL 49 H VAL 49 1.722 11.448 2.507 392 HA VAL 49 HA VAL 49 2.091 12.747 0.018 393 HB VAL 49 HB VAL 49 0.331 11.175 -0.835 394 HG11 VAL 49 1HG1 VAL 49 2.542 9.940 0.816 395 HG12 VAL 49 2HG1 VAL 49 2.690 10.551 -0.833 396 HG13 VAL 49 3HG1 VAL 49 1.675 9.147 -0.501 397 HG21 VAL 49 3HG2 VAL 49 -0.498 9.415 0.665 398 HG22 VAL 49 1HG2 VAL 49 -1.045 11.010 1.182 399 HG23 VAL 49 2HG2 VAL 49 0.277 10.213 2.035 400 HA PRO 50 HA PRO 50 -1.092 15.858 0.208 401 HB2 PRO 50 2HB PRO 50 -1.345 16.385 -2.461 402 HB3 PRO 50 3HB PRO 50 0.000 16.964 -1.473 403 HG2 PRO 50 2HG PRO 50 -0.119 14.612 -3.321 404 HG3 PRO 50 3HG PRO 50 1.182 15.795 -3.098 405 HD2 PRO 50 2HD PRO 50 1.247 13.314 -1.991 406 HD3 PRO 50 3HD PRO 50 2.004 14.723 -1.221 407 H GLU 51 H GLU 51 -3.269 16.200 -0.204 408 HA GLU 51 HA GLU 51 -5.000 14.118 0.040 409 HB2 GLU 51 2HB GLU 51 -6.782 15.738 -0.662 410 HB3 GLU 51 3HB GLU 51 -5.665 16.349 0.553 411 HG2 GLU 51 2HG GLU 51 -4.392 17.456 -1.322 412 HG3 GLU 51 3HG GLU 51 -5.729 17.018 -2.384 413 H GLN 52 H GLN 52 -4.112 15.622 -3.059 414 HA GLN 52 HA GLN 52 -6.046 14.292 -4.628 415 HB2 GLN 52 2HB GLN 52 -4.631 15.006 -6.558 416 HB3 GLN 52 3HB GLN 52 -5.036 16.301 -5.441 417 HG2 GLN 52 2HG GLN 52 -2.767 15.902 -4.372 418 HG3 GLN 52 3HG GLN 52 -2.400 14.895 -5.773 419 HE21 GLN 52 1HE2 GLN 52 -2.151 15.886 -7.796 420 HE22 GLN 52 2HE2 GLN 52 -1.934 17.589 -7.955 421 H VAL 53 H VAL 53 -2.747 13.377 -3.744 422 HA VAL 53 HA VAL 53 -2.550 11.231 -5.635 423 HB VAL 53 HB VAL 53 -0.883 11.797 -3.171 424 HG11 VAL 53 1HG1 VAL 53 0.831 10.399 -4.256 425 HG12 VAL 53 2HG1 VAL 53 -0.309 10.016 -5.547 426 HG13 VAL 53 3HG1 VAL 53 -0.633 9.484 -3.898 427 HG21 VAL 53 3HG2 VAL 53 -0.424 12.541 -6.063 428 HG22 VAL 53 1HG2 VAL 53 0.708 12.815 -4.738 429 HG23 VAL 53 2HG2 VAL 53 -0.845 13.650 -4.758 430 H ARG 54 H ARG 54 -3.799 11.543 -2.426 431 HA ARG 54 HA ARG 54 -3.785 9.038 -1.327 432 HB2 ARG 54 2HB ARG 54 -4.803 10.964 -0.252 433 HB3 ARG 54 3HB ARG 54 -6.067 11.020 -1.470 434 HG2 ARG 54 2HG ARG 54 -6.894 8.828 -0.670 435 HG3 ARG 54 3HG ARG 54 -5.664 8.860 0.600 436 HD2 ARG 54 2HD ARG 54 -7.817 9.630 1.458 437 HD3 ARG 54 3HD ARG 54 -6.634 10.935 1.484 438 HE ARG 54 HE ARG 54 -8.664 10.686 -0.643 439 HH11 ARG 54 1HH1 ARG 54 -6.927 12.595 1.642 440 HH12 ARG 54 2HH1 ARG 54 -7.773 14.043 1.228 441 HH21 ARG 54 1HH2 ARG 54 -9.736 12.572 -1.160 442 HH22 ARG 54 2HH2 ARG 54 -9.328 14.034 -0.326 443 H LYS 55 H LYS 55 -6.146 10.243 -3.674 444 HA LYS 55 HA LYS 55 -7.705 7.944 -3.977 445 HB2 LYS 55 2HB LYS 55 -7.087 10.177 -5.921 446 HB3 LYS 55 3HB LYS 55 -8.343 8.975 -6.173 447 HG2 LYS 55 2HG LYS 55 -9.630 9.780 -4.376 448 HG3 LYS 55 3HG LYS 55 -8.291 10.741 -3.745 449 HD2 LYS 55 2HD LYS 55 -10.052 12.086 -4.902 450 HD3 LYS 55 3HD LYS 55 -8.440 12.282 -5.584 451 HE2 LYS 55 2HE LYS 55 -10.386 10.302 -6.743 452 HE3 LYS 55 3HE LYS 55 -10.453 12.005 -7.190 453 HZ1 LYS 55 3HZ LYS 55 -8.177 10.142 -7.589 454 HZ2 LYS 55 1HZ LYS 55 -8.089 11.813 -7.856 455 HZ3 LYS 55 2HZ LYS 55 -9.135 10.863 -8.777 456 H GLU 56 H GLU 56 -4.816 8.982 -5.748 457 HA GLU 56 HA GLU 56 -4.968 6.962 -7.741 458 HB2 GLU 56 2HB GLU 56 -2.526 8.543 -6.914 459 HB3 GLU 56 3HB GLU 56 -2.802 7.753 -8.461 460 HG2 GLU 56 2HG GLU 56 -4.312 10.125 -7.369 461 HG3 GLU 56 3HG GLU 56 -3.115 10.148 -8.660 462 H LEU 57 H LEU 57 -2.918 7.284 -4.820 463 HA LEU 57 HA LEU 57 -1.495 4.884 -5.154 464 HB2 LEU 57 2HB LEU 57 -2.229 6.350 -2.617 465 HB3 LEU 57 3HB LEU 57 -1.101 5.009 -2.684 466 HG LEU 57 HG LEU 57 -0.752 7.682 -4.053 467 HD11 LEU 57 1HD1 LEU 57 1.072 8.013 -2.462 468 HD12 LEU 57 2HD1 LEU 57 0.688 6.475 -1.689 469 HD13 LEU 57 3HD1 LEU 57 -0.469 7.805 -1.632 470 HD21 LEU 57 3HD2 LEU 57 1.498 6.873 -4.621 471 HD22 LEU 57 1HD2 LEU 57 0.240 5.896 -5.379 472 HD23 LEU 57 2HD2 LEU 57 1.092 5.289 -3.959 473 H ALA 58 H ALA 58 -4.665 5.476 -3.682 474 HA ALA 58 HA ALA 58 -5.117 2.886 -2.660 475 HB1 ALA 58 3HB ALA 58 -6.560 4.804 -2.141 476 HB2 ALA 58 1HB ALA 58 -7.496 3.441 -2.761 477 HB3 ALA 58 2HB ALA 58 -7.141 4.818 -3.805 478 H LYS 59 H LYS 59 -5.903 4.282 -5.837 479 HA LYS 59 HA LYS 59 -6.915 2.013 -7.109 480 HB2 LYS 59 2HB LYS 59 -7.130 4.169 -8.132 481 HB3 LYS 59 3HB LYS 59 -5.389 4.402 -8.157 482 HG2 LYS 59 2HG LYS 59 -5.148 2.684 -9.851 483 HG3 LYS 59 3HG LYS 59 -6.878 2.343 -9.784 484 HD2 LYS 59 2HD LYS 59 -6.270 3.771 -11.708 485 HD3 LYS 59 3HD LYS 59 -7.389 4.569 -10.603 486 HE2 LYS 59 2HE LYS 59 -5.665 6.123 -11.326 487 HE3 LYS 59 3HE LYS 59 -5.497 5.798 -9.602 488 HZ1 LYS 59 3HZ LYS 59 -3.882 4.553 -11.759 489 HZ2 LYS 59 1HZ LYS 59 -3.710 4.251 -10.106 490 HZ3 LYS 59 2HZ LYS 59 -3.360 5.781 -10.726 491 H GLU 60 H GLU 60 -3.539 3.157 -6.897 492 HA GLU 60 HA GLU 60 -2.348 1.093 -8.387 493 HB2 GLU 60 2HB GLU 60 -1.407 3.118 -6.422 494 HB3 GLU 60 3HB GLU 60 -0.347 1.744 -6.697 495 HG2 GLU 60 2HG GLU 60 0.152 3.737 -8.106 496 HG3 GLU 60 3HG GLU 60 -0.136 2.255 -9.013 497 H ALA 61 H ALA 61 -3.068 1.295 -4.911 498 HA ALA 61 HA ALA 61 -1.843 -1.080 -4.083 499 HB1 ALA 61 3HB ALA 61 -2.719 0.583 -2.518 500 HB2 ALA 61 1HB ALA 61 -3.371 -1.019 -2.172 501 HB3 ALA 61 2HB ALA 61 -4.367 0.179 -3.000 502 H GLU 62 H GLU 62 -5.106 -0.536 -5.384 503 HA GLU 62 HA GLU 62 -6.007 -3.212 -5.152 504 HB2 GLU 62 2HB GLU 62 -6.872 -1.037 -7.073 505 HB3 GLU 62 3HB GLU 62 -7.732 -2.551 -6.821 506 HG2 GLU 62 2HG GLU 62 -8.000 -1.907 -4.417 507 HG3 GLU 62 3HG GLU 62 -7.314 -0.334 -4.824 508 H ARG 63 H ARG 63 -4.423 -1.478 -7.832 509 HA ARG 63 HA ARG 63 -4.469 -3.641 -9.657 510 HB2 ARG 63 2HB ARG 63 -4.080 -1.407 -10.464 511 HB3 ARG 63 3HB ARG 63 -2.629 -1.247 -9.483 512 HG2 ARG 63 2HG ARG 63 -1.376 -2.633 -10.872 513 HG3 ARG 63 3HG ARG 63 -2.808 -3.396 -11.566 514 HD2 ARG 63 2HD ARG 63 -1.608 -1.824 -13.100 515 HD3 ARG 63 3HD ARG 63 -3.314 -1.460 -12.859 516 HE ARG 63 HE ARG 63 -1.867 0.049 -11.021 517 HH11 ARG 63 1HH1 ARG 63 -2.172 -0.196 -14.445 518 HH12 ARG 63 2HH1 ARG 63 -1.896 1.492 -14.696 519 HH21 ARG 63 1HH2 ARG 63 -1.517 2.226 -11.374 520 HH22 ARG 63 2HH2 ARG 63 -1.529 2.830 -12.996 521 H LEU 64 H LEU 64 -2.082 -2.676 -7.212 522 HA LEU 64 HA LEU 64 -0.137 -4.633 -7.664 523 HB2 LEU 64 2HB LEU 64 -1.101 -3.302 -5.131 524 HB3 LEU 64 3HB LEU 64 0.218 -4.456 -5.120 525 HG LEU 64 HG LEU 64 0.242 -1.902 -6.746 526 HD11 LEU 64 1HD1 LEU 64 1.493 -2.473 -4.056 527 HD12 LEU 64 2HD1 LEU 64 0.167 -1.352 -4.376 528 HD13 LEU 64 3HD1 LEU 64 1.772 -1.031 -5.033 529 HD21 LEU 64 3HD2 LEU 64 2.633 -2.356 -6.942 530 HD22 LEU 64 1HD2 LEU 64 1.688 -3.693 -7.596 531 HD23 LEU 64 2HD2 LEU 64 2.441 -3.840 -6.006 532 H ALA 65 H ALA 65 -3.129 -4.789 -5.757 533 HA ALA 65 HA ALA 65 -2.871 -7.401 -4.784 534 HB1 ALA 65 3HB ALA 65 -4.545 -5.819 -3.964 535 HB2 ALA 65 1HB ALA 65 -5.287 -7.344 -4.447 536 HB3 ALA 65 2HB ALA 65 -5.411 -5.931 -5.497 537 H LYS 66 H LYS 66 -4.562 -6.281 -7.740 538 HA LYS 66 HA LYS 66 -5.272 -8.894 -8.599 539 HB2 LYS 66 2HB LYS 66 -5.120 -6.267 -10.087 540 HB3 LYS 66 3HB LYS 66 -5.697 -7.754 -10.825 541 HG2 LYS 66 2HG LYS 66 -6.918 -6.320 -8.468 542 HG3 LYS 66 3HG LYS 66 -7.573 -6.430 -10.105 543 HD2 LYS 66 2HD LYS 66 -7.683 -8.916 -9.816 544 HD3 LYS 66 3HD LYS 66 -7.205 -8.693 -8.132 545 HE2 LYS 66 2HE LYS 66 -9.584 -8.919 -8.200 546 HE3 LYS 66 3HE LYS 66 -9.215 -7.233 -7.836 547 HZ1 LYS 66 3HZ LYS 66 -10.018 -8.336 -10.475 548 HZ2 LYS 66 1HZ LYS 66 -9.575 -6.728 -10.200 549 HZ3 LYS 66 2HZ LYS 66 -10.960 -7.359 -9.465 550 H GLU 67 H GLU 67 -2.370 -7.005 -9.017 551 HA GLU 67 HA GLU 67 -1.245 -8.242 -11.252 552 HB2 GLU 67 2HB GLU 67 -0.275 -6.246 -10.257 553 HB3 GLU 67 3HB GLU 67 0.103 -7.125 -8.783 554 HG2 GLU 67 2HG GLU 67 2.105 -6.821 -10.080 555 HG3 GLU 67 3HG GLU 67 1.681 -8.531 -10.039 556 H PHE 68 H PHE 68 -0.864 -9.150 -7.810 557 HA PHE 68 HA PHE 68 0.172 -11.776 -8.692 558 HB2 PHE 68 2HB PHE 68 0.510 -10.311 -6.066 559 HB3 PHE 68 3HB PHE 68 1.033 -11.972 -6.335 560 HD1 PHE 68 HD1 PHE 68 2.863 -12.459 -7.916 561 HD2 PHE 68 HD2 PHE 68 1.750 -8.463 -6.945 562 HE1 PHE 68 HE1 PHE 68 4.998 -11.642 -8.828 563 HE2 PHE 68 HE2 PHE 68 3.882 -7.645 -7.856 564 HZ PHE 68 HZ PHE 68 5.508 -9.231 -8.799 565 H ASN 69 H ASN 69 -2.703 -10.571 -7.986 566 HA ASN 69 HA ASN 69 -4.685 -11.362 -7.222 567 HB2 ASN 69 2HB ASN 69 -4.071 -13.246 -8.740 568 HB3 ASN 69 3HB ASN 69 -3.359 -14.085 -7.364 569 HD21 ASN 69 1HD2 ASN 69 -4.702 -15.024 -5.845 570 HD22 ASN 69 2HD2 ASN 69 -6.398 -15.219 -6.097 571 H ILE 70 H ILE 70 -3.857 -10.211 -5.208 572 HA ILE 70 HA ILE 70 -3.974 -12.071 -2.918 573 HB ILE 70 HB ILE 70 -2.432 -10.646 -1.646 574 HG12 ILE 70 2HG1 ILE 70 -2.082 -9.121 -4.245 575 HG13 ILE 70 3HG1 ILE 70 -2.863 -8.511 -2.791 576 HG21 ILE 70 1HG2 ILE 70 -0.359 -11.272 -2.766 577 HG22 ILE 70 2HG2 ILE 70 -1.231 -11.527 -4.277 578 HG23 ILE 70 3HG2 ILE 70 -1.546 -12.571 -2.891 579 HD11 ILE 70 3HD1 ILE 70 0.041 -9.268 -3.046 580 HD12 ILE 70 1HD1 ILE 70 -0.742 -8.646 -1.592 581 HD13 ILE 70 2HD1 ILE 70 -0.615 -7.632 -3.029 582 H THR 71 H THR 71 -4.477 -10.764 -0.823 583 HA THR 71 HA THR 71 -6.837 -9.111 -1.405 584 HB THR 71 HB THR 71 -5.973 -10.369 1.221 585 HG1 THR 71 HG1 THR 71 -7.919 -11.155 -0.720 586 HG21 THR 71 3HG2 THR 71 -7.352 -8.392 1.591 587 HG22 THR 71 1HG2 THR 71 -8.278 -9.847 1.957 588 HG23 THR 71 2HG2 THR 71 -8.551 -8.986 0.442 589 H VAL 72 H VAL 72 -7.002 -6.976 -0.830 590 HA VAL 72 HA VAL 72 -5.025 -5.832 1.006 591 HB VAL 72 HB VAL 72 -4.061 -5.543 -1.254 592 HG11 VAL 72 1HG1 VAL 72 -6.522 -3.879 -1.814 593 HG12 VAL 72 2HG1 VAL 72 -6.123 -5.426 -2.559 594 HG13 VAL 72 3HG1 VAL 72 -5.110 -4.015 -2.862 595 HG21 VAL 72 3HG2 VAL 72 -3.522 -3.920 0.471 596 HG22 VAL 72 1HG2 VAL 72 -4.964 -2.983 0.080 597 HG23 VAL 72 2HG2 VAL 72 -3.650 -3.113 -1.091 598 H THR 73 H THR 73 -5.798 -4.234 2.266 599 HA THR 73 HA THR 73 -8.298 -2.855 1.486 600 HB THR 73 HB THR 73 -9.003 -2.717 3.806 601 HG1 THR 73 HG1 THR 73 -7.124 -4.485 4.809 602 HG21 THR 73 3HG2 THR 73 -9.471 -5.075 4.307 603 HG22 THR 73 1HG2 THR 73 -8.257 -5.572 3.129 604 HG23 THR 73 2HG2 THR 73 -9.711 -4.730 2.595 605 H TYR 74 H TYR 74 -8.488 -0.716 2.870 606 HA TYR 74 HA TYR 74 -5.874 0.407 3.503 607 HB2 TYR 74 2HB TYR 74 -6.345 2.448 2.083 608 HB3 TYR 74 3HB TYR 74 -5.937 0.982 1.206 609 HD1 TYR 74 HD2 TYR 74 -7.670 -0.217 -0.093 610 HD2 TYR 74 HD1 TYR 74 -8.526 3.469 1.863 611 HE1 TYR 74 HE2 TYR 74 -9.696 0.033 -1.464 612 HE2 TYR 74 HE1 TYR 74 -10.553 3.730 0.497 613 HH TYR 74 HH TYR 74 -11.846 1.189 -1.383 614 H THR 75 H THR 75 -6.070 1.211 5.447 615 HA THR 75 HA THR 75 -8.520 2.550 6.330 616 HB THR 75 HB THR 75 -5.958 1.934 7.840 617 HG1 THR 75 HG1 THR 75 -7.205 0.306 8.809 618 HG21 THR 75 3HG2 THR 75 -7.232 2.530 9.862 619 HG22 THR 75 1HG2 THR 75 -8.591 3.026 8.852 620 HG23 THR 75 2HG2 THR 75 -7.065 3.907 8.772 621 H ILE 76 H ILE 76 -8.675 4.611 5.599 622 HA ILE 76 HA ILE 76 -6.219 6.262 5.554 623 HB ILE 76 HB ILE 76 -8.712 6.585 3.865 624 HG12 ILE 76 2HG1 ILE 76 -5.919 5.624 3.164 625 HG13 ILE 76 3HG1 ILE 76 -7.381 4.644 3.179 626 HG21 ILE 76 1HG2 ILE 76 -7.471 8.327 2.693 627 HG22 ILE 76 2HG2 ILE 76 -6.103 8.114 3.785 628 HG23 ILE 76 3HG2 ILE 76 -7.637 8.732 4.401 629 HD11 ILE 76 3HD1 ILE 76 -6.757 5.214 0.919 630 HD12 ILE 76 1HD1 ILE 76 -6.790 6.933 1.314 631 HD13 ILE 76 2HD1 ILE 76 -8.282 5.993 1.337 632 H ARG 77 H ARG 77 -6.113 8.027 6.790 633 HA ARG 77 HA ARG 77 -8.519 8.857 8.263 634 HB2 ARG 77 2HB ARG 77 -5.602 9.471 8.808 635 HB3 ARG 77 3HB ARG 77 -6.956 9.967 9.818 636 HG2 ARG 77 2HG ARG 77 -6.089 7.128 9.265 637 HG3 ARG 77 3HG ARG 77 -5.842 8.026 10.764 638 HD2 ARG 77 2HD ARG 77 -8.217 8.123 11.163 639 HD3 ARG 77 3HD ARG 77 -8.554 7.402 9.588 640 HE ARG 77 HE ARG 77 -6.924 5.658 11.067 641 HH11 ARG 77 1HH1 ARG 77 -10.155 6.879 11.085 642 HH12 ARG 77 2HH1 ARG 77 -10.797 5.444 11.804 643 HH21 ARG 77 1HH2 ARG 77 -7.782 3.833 11.989 644 HH22 ARG 77 2HH2 ARG 77 -9.480 3.755 12.314 645 H LEU 78 H LEU 78 -9.610 10.387 7.222 646 HA LEU 78 HA LEU 78 -8.241 12.872 6.497 647 HB2 LEU 78 2HB LEU 78 -8.460 11.389 4.454 648 HB3 LEU 78 3HB LEU 78 -10.198 11.514 4.623 649 HG LEU 78 HG LEU 78 -9.111 13.015 2.885 650 HD11 LEU 78 1HD1 LEU 78 -10.546 14.915 3.337 651 HD12 LEU 78 2HD1 LEU 78 -10.736 14.404 5.014 652 HD13 LEU 78 3HD1 LEU 78 -11.386 13.409 3.710 653 HD21 LEU 78 3HD2 LEU 78 -8.098 15.096 3.679 654 HD22 LEU 78 1HD2 LEU 78 -7.154 13.689 4.167 655 HD23 LEU 78 2HD2 LEU 78 -8.182 14.513 5.340 656 H GLU 79 H GLU 79 -9.232 14.342 7.743 657 HA GLU 79 HA GLU 79 -11.818 13.876 8.868 658 HB2 GLU 79 2HB GLU 79 -11.509 16.054 9.970 659 HB3 GLU 79 3HB GLU 79 -10.110 15.006 10.166 660 HG2 GLU 79 2HG GLU 79 -8.839 16.249 8.596 661 HG3 GLU 79 3HG GLU 79 -10.258 17.144 8.050 662 H HIS 80 H HIS 80 -13.716 15.034 8.609 663 HA HIS 80 HA HIS 80 -13.899 16.845 6.291 664 HB2 HIS 80 2HB HIS 80 -14.876 14.743 5.605 665 HB3 HIS 80 3HB HIS 80 -15.821 14.639 7.085 666 HD1 HIS 80 HD1 HIS 80 -17.966 16.067 7.232 667 HD2 HIS 80 HD2 HIS 80 -15.947 16.415 3.616 668 HE1 HIS 80 HE1 HIS 80 -19.553 17.249 5.687 669 HE2 HIS 80 HE2 HIS 80 -18.249 17.602 3.571 670 H HIS 81 H HIS 81 -13.677 18.574 7.852 671 HA HIS 81 HA HIS 81 -15.915 18.888 9.730 672 HB2 HIS 81 2HB HIS 81 -13.251 20.285 9.501 673 HB3 HIS 81 3HB HIS 81 -14.523 20.837 10.584 674 HD1 HIS 81 HD1 HIS 81 -14.382 19.926 12.866 675 HD2 HIS 81 HD2 HIS 81 -12.561 17.410 10.110 676 HE1 HIS 81 HE1 HIS 81 -13.387 18.061 14.219 677 HE2 HIS 81 HE2 HIS 81 -12.236 16.583 12.540 678 H HIS 82 H HIS 82 -17.632 19.668 8.693 679 HA HIS 82 HA HIS 82 -17.489 22.411 7.707 680 HB2 HIS 82 2HB HIS 82 -18.676 20.135 6.090 681 HB3 HIS 82 3HB HIS 82 -18.947 21.837 5.742 682 HD1 HIS 82 HD1 HIS 82 -16.814 23.214 4.948 683 HD2 HIS 82 HD2 HIS 82 -16.341 19.088 5.069 684 HE1 HIS 82 HE1 HIS 82 -14.775 22.732 3.575 685 HE2 HIS 82 HE2 HIS 82 -14.603 20.224 3.525 686 H HIS 83 H HIS 83 -19.826 23.217 7.297 687 HA HIS 83 HA HIS 83 -21.789 21.827 9.000 688 HB2 HIS 83 2HB HIS 83 -20.631 23.723 10.231 689 HB3 HIS 83 3HB HIS 83 -21.381 24.828 9.085 690 HD1 HIS 83 HD1 HIS 83 -22.501 22.126 11.535 691 HD2 HIS 83 HD2 HIS 83 -23.779 25.747 9.941 692 HE1 HIS 83 HE1 HIS 83 -24.650 22.660 12.714 693 HE2 HIS 83 HE2 HIS 83 -25.265 24.956 11.903 694 H HIS 84 H HIS 84 -21.236 22.437 6.025 695 HA HIS 84 HA HIS 84 -23.996 22.896 5.274 696 HB2 HIS 84 2HB HIS 84 -23.130 25.188 5.508 697 HB3 HIS 84 3HB HIS 84 -21.820 24.819 4.396 698 HD1 HIS 84 HD1 HIS 84 -25.589 25.206 4.439 699 HD2 HIS 84 HD2 HIS 84 -22.417 25.226 1.751 700 HE1 HIS 84 HE1 HIS 84 -26.568 25.925 2.245 701 HE2 HIS 84 HE2 HIS 84 -24.659 25.798 0.609 702 H HIS 85 H HIS 85 -21.242 21.208 4.849 703 HA HIS 85 HA HIS 85 -22.081 20.030 2.393 704 HB2 HIS 85 2HB HIS 85 -21.030 22.018 1.421 705 HB3 HIS 85 3HB HIS 85 -19.538 21.682 2.296 706 HD1 HIS 85 HD1 HIS 85 -21.702 20.149 -0.421 707 HD2 HIS 85 HD2 HIS 85 -17.783 20.060 0.953 708 HE1 HIS 85 HE1 HIS 85 -20.437 18.773 -2.092 709 HE2 HIS 85 HE2 HIS 85 -18.114 18.594 -1.153 Start of MODEL 19 1 H1 MET 1 1H MET 1 -2.775 13.279 8.003 2 H2 MET 1 2H MET 1 -3.514 14.456 7.044 3 H3 MET 1 3H MET 1 -1.987 13.868 6.626 4 HA MET 1 HA MET 1 -4.491 12.285 6.674 5 HB2 MET 1 2HB MET 1 -2.904 13.430 4.365 6 HB3 MET 1 3HB MET 1 -4.165 12.217 4.178 7 HG2 MET 1 2HG MET 1 -5.804 13.768 5.119 8 HG3 MET 1 3HG MET 1 -4.540 14.983 5.316 9 HE1 MET 1 3HE MET 1 -5.845 13.393 1.173 10 HE2 MET 1 1HE MET 1 -6.478 12.762 2.693 11 HE3 MET 1 2HE MET 1 -4.787 12.498 2.263 12 H GLU 2 H GLU 2 -3.991 10.289 7.296 13 HA GLU 2 HA GLU 2 -1.476 9.056 6.338 14 HB2 GLU 2 2HB GLU 2 -3.108 8.439 8.816 15 HB3 GLU 2 3HB GLU 2 -1.675 7.554 8.308 16 HG2 GLU 2 2HG GLU 2 -0.266 9.426 8.695 17 HG3 GLU 2 3HG GLU 2 -1.648 10.505 8.899 18 H MET 3 H MET 3 -1.549 6.925 5.540 19 HA MET 3 HA MET 3 -4.236 5.806 5.052 20 HB2 MET 3 2HB MET 3 -3.442 6.978 3.035 21 HB3 MET 3 3HB MET 3 -1.992 5.993 3.027 22 HG2 MET 3 2HG MET 3 -3.292 4.006 2.587 23 HG3 MET 3 3HG MET 3 -4.790 4.923 2.720 24 HE1 MET 3 3HE MET 3 -4.684 4.150 -1.116 25 HE2 MET 3 1HE MET 3 -5.664 4.103 0.350 26 HE3 MET 3 2HE MET 3 -4.226 3.090 0.215 27 H ASP 4 H ASP 4 -4.249 4.027 6.272 28 HA ASP 4 HA ASP 4 -1.987 2.271 6.603 29 HB2 ASP 4 2HB ASP 4 -4.896 1.961 7.395 30 HB3 ASP 4 3HB ASP 4 -3.599 0.879 7.885 31 H ILE 5 H ILE 5 -1.412 1.142 4.788 32 HA ILE 5 HA ILE 5 -3.522 -0.277 3.289 33 HB ILE 5 HB ILE 5 -0.663 0.219 2.424 34 HG12 ILE 5 2HG1 ILE 5 -3.194 1.689 1.614 35 HG13 ILE 5 3HG1 ILE 5 -1.925 2.339 2.648 36 HG21 ILE 5 1HG2 ILE 5 -3.079 -0.768 0.895 37 HG22 ILE 5 2HG2 ILE 5 -1.679 -1.729 1.372 38 HG23 ILE 5 3HG2 ILE 5 -1.494 -0.426 0.199 39 HD11 ILE 5 3HD1 ILE 5 -0.346 2.203 0.789 40 HD12 ILE 5 1HD1 ILE 5 -1.746 3.198 0.391 41 HD13 ILE 5 2HD1 ILE 5 -1.622 1.558 -0.245 42 H ARG 6 H ARG 6 -3.796 -2.293 4.050 43 HA ARG 6 HA ARG 6 -1.467 -3.826 4.990 44 HB2 ARG 6 2HB ARG 6 -4.431 -4.257 5.410 45 HB3 ARG 6 3HB ARG 6 -3.208 -5.414 5.903 46 HG2 ARG 6 2HG ARG 6 -3.801 -4.185 7.829 47 HG3 ARG 6 3HG ARG 6 -2.208 -3.607 7.339 48 HD2 ARG 6 2HD ARG 6 -3.711 -1.774 8.011 49 HD3 ARG 6 3HD ARG 6 -3.200 -1.636 6.329 50 HE ARG 6 HE ARG 6 -5.474 -2.788 5.898 51 HH11 ARG 6 1HH1 ARG 6 -4.877 -0.559 8.461 52 HH12 ARG 6 2HH1 ARG 6 -6.482 0.079 8.410 53 HH21 ARG 6 1HH2 ARG 6 -7.534 -1.971 5.872 54 HH22 ARG 6 2HH2 ARG 6 -7.966 -0.702 6.966 55 H PHE 7 H PHE 7 -0.529 -4.857 3.297 56 HA PHE 7 HA PHE 7 -2.153 -6.319 1.354 57 HB2 PHE 7 2HB PHE 7 0.842 -6.002 1.695 58 HB3 PHE 7 3HB PHE 7 0.127 -7.068 0.493 59 HD1 PHE 7 HD1 PHE 7 -1.074 -6.152 -1.434 60 HD2 PHE 7 HD2 PHE 7 0.833 -3.604 1.403 61 HE1 PHE 7 HE1 PHE 7 -1.185 -4.289 -3.037 62 HE2 PHE 7 HE2 PHE 7 0.718 -1.740 -0.199 63 HZ PHE 7 HZ PHE 7 -0.289 -2.082 -2.423 64 H ARG 8 H ARG 8 -2.468 -8.530 1.380 65 HA ARG 8 HA ARG 8 -0.866 -10.144 3.247 66 HB2 ARG 8 2HB ARG 8 -3.058 -9.583 4.325 67 HB3 ARG 8 3HB ARG 8 -3.876 -10.409 3.004 68 HG2 ARG 8 2HG ARG 8 -2.745 -12.507 3.630 69 HG3 ARG 8 3HG ARG 8 -1.961 -11.670 4.973 70 HD2 ARG 8 2HD ARG 8 -3.871 -12.869 5.816 71 HD3 ARG 8 3HD ARG 8 -4.213 -11.139 5.887 72 HE ARG 8 HE ARG 8 -5.159 -12.542 3.529 73 HH11 ARG 8 1HH1 ARG 8 -5.935 -11.339 6.671 74 HH12 ARG 8 2HH1 ARG 8 -7.636 -11.342 6.358 75 HH21 ARG 8 1HH2 ARG 8 -7.320 -12.585 3.169 76 HH22 ARG 8 2HH2 ARG 8 -8.415 -12.043 4.394 77 H GLY 9 H GLY 9 0.049 -11.775 2.192 78 HA2 GLY 9 2HA GLY 9 -1.378 -13.381 0.279 79 HA3 GLY 9 3HA GLY 9 -0.194 -12.332 -0.483 80 H ASP 10 H ASP 10 -0.298 -15.263 -0.324 81 HA ASP 10 HA ASP 10 1.870 -16.030 1.456 82 HB2 ASP 10 2HB ASP 10 0.495 -17.733 -0.635 83 HB3 ASP 10 3HB ASP 10 1.375 -18.279 0.791 84 H ASP 11 H ASP 11 2.376 -14.165 -0.863 85 HA ASP 11 HA ASP 11 4.300 -15.808 -2.394 86 HB2 ASP 11 2HB ASP 11 2.248 -14.921 -3.635 87 HB3 ASP 11 3HB ASP 11 2.940 -13.315 -3.436 88 H LEU 12 H LEU 12 6.372 -15.266 -2.094 89 HA LEU 12 HA LEU 12 7.110 -13.031 -0.466 90 HB2 LEU 12 2HB LEU 12 8.292 -15.193 -0.398 91 HB3 LEU 12 3HB LEU 12 8.858 -14.933 -2.038 92 HG LEU 12 HG LEU 12 10.145 -12.960 -1.271 93 HD11 LEU 12 1HD1 LEU 12 9.226 -13.783 1.488 94 HD12 LEU 12 2HD1 LEU 12 8.771 -12.309 0.632 95 HD13 LEU 12 3HD1 LEU 12 10.444 -12.556 1.129 96 HD21 LEU 12 3HD2 LEU 12 11.212 -15.163 -1.391 97 HD22 LEU 12 1HD2 LEU 12 10.743 -15.484 0.278 98 HD23 LEU 12 2HD2 LEU 12 11.885 -14.188 -0.085 99 H GLU 13 H GLU 13 7.384 -13.711 -3.937 100 HA GLU 13 HA GLU 13 8.934 -11.437 -4.611 101 HB2 GLU 13 2HB GLU 13 7.160 -13.293 -6.176 102 HB3 GLU 13 3HB GLU 13 7.800 -11.846 -6.941 103 HG2 GLU 13 2HG GLU 13 9.125 -13.919 -7.344 104 HG3 GLU 13 3HG GLU 13 10.039 -12.578 -6.664 105 H ALA 14 H ALA 14 5.436 -11.969 -4.476 106 HA ALA 14 HA ALA 14 4.525 -9.501 -5.411 107 HB1 ALA 14 3HB ALA 14 2.483 -9.959 -4.130 108 HB2 ALA 14 1HB ALA 14 3.323 -11.234 -3.246 109 HB3 ALA 14 2HB ALA 14 3.044 -11.398 -4.979 110 H PHE 15 H PHE 15 5.460 -10.483 -2.135 111 HA PHE 15 HA PHE 15 4.914 -8.215 -0.671 112 HB2 PHE 15 2HB PHE 15 5.717 -10.137 0.474 113 HB3 PHE 15 3HB PHE 15 7.185 -10.199 -0.492 114 HD1 PHE 15 HD2 PHE 15 5.432 -8.184 2.098 115 HD2 PHE 15 HD1 PHE 15 9.150 -9.158 0.254 116 HE1 PHE 15 HE2 PHE 15 6.630 -6.911 3.830 117 HE2 PHE 15 HE1 PHE 15 10.346 -7.888 1.986 118 HZ PHE 15 HZ PHE 15 9.087 -6.762 3.777 119 H GLU 16 H GLU 16 7.982 -8.884 -2.390 120 HA GLU 16 HA GLU 16 9.205 -6.428 -1.762 121 HB2 GLU 16 2HB GLU 16 10.477 -8.384 -2.535 122 HB3 GLU 16 3HB GLU 16 9.735 -8.247 -4.126 123 HG2 GLU 16 2HG GLU 16 10.767 -5.974 -4.332 124 HG3 GLU 16 3HG GLU 16 11.620 -6.285 -2.821 125 H LYS 17 H LYS 17 7.638 -7.440 -4.814 126 HA LYS 17 HA LYS 17 8.157 -5.035 -6.179 127 HB2 LYS 17 2HB LYS 17 6.065 -7.157 -6.703 128 HB3 LYS 17 3HB LYS 17 6.450 -5.847 -7.816 129 HG2 LYS 17 2HG LYS 17 8.371 -7.977 -6.874 130 HG3 LYS 17 3HG LYS 17 7.570 -7.927 -8.447 131 HD2 LYS 17 2HD LYS 17 8.727 -5.886 -9.030 132 HD3 LYS 17 3HD LYS 17 9.418 -5.767 -7.410 133 HE2 LYS 17 2HE LYS 17 11.061 -6.601 -9.013 134 HE3 LYS 17 3HE LYS 17 10.691 -7.818 -7.793 135 HZ1 LYS 17 3HZ LYS 17 9.285 -8.952 -9.356 136 HZ2 LYS 17 1HZ LYS 17 10.806 -8.722 -10.054 137 HZ3 LYS 17 2HZ LYS 17 9.508 -7.744 -10.518 138 H ALA 18 H ALA 18 5.131 -6.096 -4.568 139 HA ALA 18 HA ALA 18 3.609 -3.821 -5.233 140 HB1 ALA 18 3HB ALA 18 2.099 -4.490 -3.444 141 HB2 ALA 18 1HB ALA 18 3.325 -5.583 -2.798 142 HB3 ALA 18 2HB ALA 18 2.614 -5.891 -4.384 143 H LEU 19 H LEU 19 5.489 -4.512 -2.276 144 HA LEU 19 HA LEU 19 5.032 -2.050 -0.979 145 HB2 LEU 19 2HB LEU 19 5.891 -3.987 0.193 146 HB3 LEU 19 3HB LEU 19 7.333 -4.002 -0.804 147 HG LEU 19 HG LEU 19 8.009 -1.826 0.203 148 HD11 LEU 19 1HD1 LEU 19 5.814 -0.990 0.838 149 HD12 LEU 19 2HD1 LEU 19 6.894 -1.044 2.230 150 HD13 LEU 19 3HD1 LEU 19 5.652 -2.281 2.030 151 HD21 LEU 19 3HD2 LEU 19 8.687 -2.755 2.359 152 HD22 LEU 19 1HD2 LEU 19 8.885 -3.936 1.065 153 HD23 LEU 19 2HD2 LEU 19 7.517 -4.061 2.173 154 H LYS 20 H LYS 20 7.582 -3.079 -3.202 155 HA LYS 20 HA LYS 20 9.318 -0.908 -2.971 156 HB2 LYS 20 2HB LYS 20 9.740 -3.117 -4.130 157 HB3 LYS 20 3HB LYS 20 8.818 -2.507 -5.495 158 HG2 LYS 20 2HG LYS 20 11.178 -2.275 -5.927 159 HG3 LYS 20 3HG LYS 20 10.451 -0.675 -5.750 160 HD2 LYS 20 2HD LYS 20 11.322 -0.451 -3.524 161 HD3 LYS 20 3HD LYS 20 11.860 -2.131 -3.511 162 HE2 LYS 20 2HE LYS 20 12.918 0.007 -5.363 163 HE3 LYS 20 3HE LYS 20 13.703 -0.516 -3.874 164 HZ1 LYS 20 3HZ LYS 20 13.981 -2.703 -4.786 165 HZ2 LYS 20 1HZ LYS 20 14.616 -1.581 -5.877 166 HZ3 LYS 20 2HZ LYS 20 13.114 -2.299 -6.178 167 H GLU 21 H GLU 21 6.632 -1.396 -5.278 168 HA GLU 21 HA GLU 21 7.054 1.024 -6.691 169 HB2 GLU 21 2HB GLU 21 4.564 -0.677 -6.467 170 HB3 GLU 21 3HB GLU 21 4.788 0.629 -7.625 171 HG2 GLU 21 2HG GLU 21 6.281 -1.981 -7.475 172 HG3 GLU 21 3HG GLU 21 5.220 -1.411 -8.763 173 H MET 22 H MET 22 5.102 0.275 -3.843 174 HA MET 22 HA MET 22 3.695 2.736 -3.739 175 HB2 MET 22 2HB MET 22 4.462 0.852 -1.494 176 HB3 MET 22 3HB MET 22 3.332 2.193 -1.335 177 HG2 MET 22 2HG MET 22 3.010 -0.262 -3.048 178 HG3 MET 22 3HG MET 22 2.097 0.157 -1.598 179 HE1 MET 22 3HE MET 22 1.589 3.279 -2.014 180 HE2 MET 22 1HE MET 22 0.323 2.165 -1.491 181 HE3 MET 22 2HE MET 22 0.031 3.268 -2.834 182 H ILE 23 H ILE 23 6.713 1.680 -2.162 183 HA ILE 23 HA ILE 23 7.294 4.152 -0.907 184 HB ILE 23 HB ILE 23 9.206 1.960 -1.764 185 HG12 ILE 23 2HG1 ILE 23 7.819 2.451 0.891 186 HG13 ILE 23 3HG1 ILE 23 7.436 1.159 -0.244 187 HG21 ILE 23 1HG2 ILE 23 9.589 4.204 0.227 188 HG22 ILE 23 2HG2 ILE 23 10.388 4.050 -1.337 189 HG23 ILE 23 3HG2 ILE 23 10.722 2.883 -0.060 190 HD11 ILE 23 3HD1 ILE 23 8.754 0.332 1.611 191 HD12 ILE 23 1HD1 ILE 23 10.028 1.498 1.253 192 HD13 ILE 23 2HD1 ILE 23 9.664 0.209 0.105 193 H ARG 24 H ARG 24 8.162 2.811 -4.069 194 HA ARG 24 HA ARG 24 10.022 4.679 -4.945 195 HB2 ARG 24 2HB ARG 24 9.318 2.553 -6.123 196 HB3 ARG 24 3HB ARG 24 7.893 3.412 -6.690 197 HG2 ARG 24 2HG ARG 24 9.448 5.075 -7.765 198 HG3 ARG 24 3HG ARG 24 10.776 3.989 -7.355 199 HD2 ARG 24 2HD ARG 24 8.426 3.406 -9.161 200 HD3 ARG 24 3HD ARG 24 10.109 3.596 -9.641 201 HE ARG 24 HE ARG 24 8.921 1.284 -8.297 202 HH11 ARG 24 1HH1 ARG 24 11.702 2.766 -9.700 203 HH12 ARG 24 2HH1 ARG 24 12.560 1.273 -9.815 204 HH21 ARG 24 1HH2 ARG 24 10.030 -0.612 -8.465 205 HH22 ARG 24 2HH2 ARG 24 11.623 -0.620 -9.147 206 H GLN 25 H GLN 25 6.474 4.798 -5.210 207 HA GLN 25 HA GLN 25 6.399 7.345 -6.507 208 HB2 GLN 25 2HB GLN 25 4.237 5.838 -5.011 209 HB3 GLN 25 3HB GLN 25 3.968 7.265 -6.006 210 HG2 GLN 25 2HG GLN 25 4.722 6.058 -7.980 211 HG3 GLN 25 3HG GLN 25 5.072 4.637 -7.000 212 HE21 GLN 25 1HE2 GLN 25 3.340 3.416 -6.185 213 HE22 GLN 25 2HE2 GLN 25 1.745 3.556 -6.836 214 H ALA 26 H ALA 26 5.865 6.307 -3.136 215 HA ALA 26 HA ALA 26 5.165 8.783 -2.048 216 HB1 ALA 26 3HB ALA 26 5.800 7.850 0.110 217 HB2 ALA 26 1HB ALA 26 6.663 6.541 -0.697 218 HB3 ALA 26 2HB ALA 26 4.911 6.671 -0.852 219 H ARG 27 H ARG 27 8.366 7.441 -2.695 220 HA ARG 27 HA ARG 27 9.941 9.319 -1.349 221 HB2 ARG 27 2HB ARG 27 10.454 7.667 -3.820 222 HB3 ARG 27 3HB ARG 27 11.679 8.742 -3.154 223 HG2 ARG 27 2HG ARG 27 11.629 7.520 -1.041 224 HG3 ARG 27 3HG ARG 27 10.366 6.462 -1.672 225 HD2 ARG 27 2HD ARG 27 11.857 5.549 -3.318 226 HD3 ARG 27 3HD ARG 27 13.101 6.737 -2.925 227 HE ARG 27 HE ARG 27 12.662 5.405 -0.584 228 HH11 ARG 27 1HH1 ARG 27 13.429 4.369 -3.781 229 HH12 ARG 27 2HH1 ARG 27 14.425 3.068 -3.233 230 HH21 ARG 27 1HH2 ARG 27 13.962 3.741 0.105 231 HH22 ARG 27 2HH2 ARG 27 14.739 2.725 -1.061 232 H LYS 28 H LYS 28 8.236 9.618 -4.405 233 HA LYS 28 HA LYS 28 9.542 11.955 -5.350 234 HB2 LYS 28 2HB LYS 28 6.695 11.036 -5.825 235 HB3 LYS 28 3HB LYS 28 7.528 12.281 -6.746 236 HG2 LYS 28 2HG LYS 28 9.146 10.614 -7.534 237 HG3 LYS 28 3HG LYS 28 8.300 9.368 -6.612 238 HD2 LYS 28 2HD LYS 28 7.618 9.273 -8.937 239 HD3 LYS 28 3HD LYS 28 6.261 9.804 -7.941 240 HE2 LYS 28 2HE LYS 28 6.316 11.157 -9.922 241 HE3 LYS 28 3HE LYS 28 6.813 12.161 -8.561 242 HZ1 LYS 28 3HZ LYS 28 9.144 11.740 -9.228 243 HZ2 LYS 28 1HZ LYS 28 8.258 12.567 -10.407 244 HZ3 LYS 28 2HZ LYS 28 8.581 10.921 -10.597 245 H PHE 29 H PHE 29 6.964 11.438 -3.046 246 HA PHE 29 HA PHE 29 6.396 14.310 -2.853 247 HB2 PHE 29 2HB PHE 29 4.996 11.990 -1.494 248 HB3 PHE 29 3HB PHE 29 4.444 13.661 -1.538 249 HD1 PHE 29 HD1 PHE 29 3.872 14.668 -3.825 250 HD2 PHE 29 HD2 PHE 29 4.369 10.482 -3.167 251 HE1 PHE 29 HE1 PHE 29 2.625 14.194 -5.890 252 HE2 PHE 29 HE2 PHE 29 3.119 10.009 -5.233 253 HZ PHE 29 HZ PHE 29 2.246 11.866 -6.597 254 H ALA 30 H ALA 30 5.740 14.835 -0.369 255 HA ALA 30 HA ALA 30 8.245 14.604 1.102 256 HB1 ALA 30 3HB ALA 30 7.294 16.288 2.585 257 HB2 ALA 30 1HB ALA 30 5.737 16.145 1.769 258 HB3 ALA 30 2HB ALA 30 7.132 16.780 0.898 259 H GLY 31 H GLY 31 5.747 12.556 0.890 260 HA2 GLY 31 2HA GLY 31 5.127 12.132 3.681 261 HA3 GLY 31 3HA GLY 31 4.571 11.163 2.329 262 H THR 32 H THR 32 5.412 10.108 4.799 263 HA THR 32 HA THR 32 7.882 8.662 4.017 264 HB THR 32 HB THR 32 6.905 9.183 6.847 265 HG1 THR 32 HG1 THR 32 8.010 10.970 6.669 266 HG21 THR 32 3HG2 THR 32 9.451 7.877 5.857 267 HG22 THR 32 1HG2 THR 32 8.107 7.053 6.651 268 HG23 THR 32 2HG2 THR 32 9.067 8.235 7.541 269 H VAL 33 H VAL 33 7.913 6.404 4.277 270 HA VAL 33 HA VAL 33 5.271 5.162 4.759 271 HB VAL 33 HB VAL 33 7.438 4.216 2.864 272 HG11 VAL 33 1HG1 VAL 33 5.771 2.553 2.126 273 HG12 VAL 33 2HG1 VAL 33 4.690 3.086 3.415 274 HG13 VAL 33 3HG1 VAL 33 6.236 2.335 3.814 275 HG21 VAL 33 3HG2 VAL 33 4.735 5.435 2.279 276 HG22 VAL 33 1HG2 VAL 33 5.854 4.788 1.077 277 HG23 VAL 33 2HG2 VAL 33 6.300 6.206 2.026 278 H THR 34 H THR 34 5.191 3.852 6.469 279 HA THR 34 HA THR 34 7.603 2.290 7.189 280 HB THR 34 HB THR 34 7.014 3.816 9.007 281 HG1 THR 34 HG1 THR 34 7.767 2.052 9.965 282 HG21 THR 34 3HG2 THR 34 4.321 2.437 9.025 283 HG22 THR 34 1HG2 THR 34 4.626 4.104 8.534 284 HG23 THR 34 2HG2 THR 34 4.884 3.616 10.209 285 H TYR 35 H TYR 35 7.294 0.071 7.757 286 HA TYR 35 HA TYR 35 4.666 -1.100 7.339 287 HB2 TYR 35 2HB TYR 35 5.417 -2.627 5.551 288 HB3 TYR 35 3HB TYR 35 5.467 -0.942 5.052 289 HD1 TYR 35 HD2 TYR 35 7.609 0.184 4.663 290 HD2 TYR 35 HD1 TYR 35 7.470 -3.919 5.794 291 HE1 TYR 35 HE2 TYR 35 9.951 -0.082 3.966 292 HE2 TYR 35 HE1 TYR 35 9.810 -4.196 5.099 293 HH TYR 35 HH TYR 35 11.857 -1.570 4.444 294 H THR 36 H THR 36 4.364 -2.972 8.415 295 HA THR 36 HA THR 36 6.726 -4.347 9.563 296 HB THR 36 HB THR 36 5.385 -4.920 11.536 297 HG1 THR 36 HG1 THR 36 3.311 -4.829 10.454 298 HG21 THR 36 3HG2 THR 36 6.691 -2.846 11.625 299 HG22 THR 36 1HG2 THR 36 5.202 -2.697 12.559 300 HG23 THR 36 2HG2 THR 36 5.321 -1.949 10.967 301 H LEU 37 H LEU 37 6.932 -6.372 8.816 302 HA LEU 37 HA LEU 37 4.637 -7.679 7.550 303 HB2 LEU 37 2HB LEU 37 6.718 -7.570 6.279 304 HB3 LEU 37 3HB LEU 37 7.569 -8.412 7.562 305 HG LEU 37 HG LEU 37 6.201 -10.425 7.151 306 HD11 LEU 37 1HD1 LEU 37 4.764 -10.569 5.176 307 HD12 LEU 37 2HD1 LEU 37 5.027 -8.853 4.856 308 HD13 LEU 37 3HD1 LEU 37 4.176 -9.360 6.316 309 HD21 LEU 37 3HD2 LEU 37 8.348 -10.185 6.020 310 HD22 LEU 37 1HD2 LEU 37 7.558 -9.360 4.674 311 HD23 LEU 37 2HD2 LEU 37 7.194 -11.053 5.009 312 H ASP 38 H ASP 38 3.386 -8.628 9.069 313 HA ASP 38 HA ASP 38 4.605 -10.347 11.114 314 HB2 ASP 38 2HB ASP 38 2.909 -8.650 11.794 315 HB3 ASP 38 3HB ASP 38 1.717 -9.474 10.796 316 H GLY 39 H GLY 39 5.131 -12.234 10.061 317 HA2 GLY 39 2HA GLY 39 4.799 -14.333 9.191 318 HA3 GLY 39 3HA GLY 39 3.093 -14.140 9.562 319 H ASN 40 H ASN 40 1.683 -13.334 7.955 320 HA ASN 40 HA ASN 40 2.799 -13.276 5.211 321 HB2 ASN 40 2HB ASN 40 0.103 -14.326 6.115 322 HB3 ASN 40 3HB ASN 40 0.631 -14.207 4.439 323 HD21 ASN 40 1HD2 ASN 40 0.979 -15.916 7.430 324 HD22 ASN 40 2HD2 ASN 40 1.887 -17.241 6.798 325 H ASP 41 H ASP 41 1.509 -11.381 7.539 326 HA ASP 41 HA ASP 41 -0.108 -9.723 5.721 327 HB2 ASP 41 2HB ASP 41 0.069 -9.725 8.748 328 HB3 ASP 41 3HB ASP 41 -0.966 -8.666 7.794 329 H LEU 42 H LEU 42 0.831 -7.966 4.897 330 HA LEU 42 HA LEU 42 3.082 -6.705 6.311 331 HB2 LEU 42 2HB LEU 42 3.553 -7.377 4.015 332 HB3 LEU 42 3HB LEU 42 2.165 -6.470 3.435 333 HG LEU 42 HG LEU 42 3.261 -4.367 4.153 334 HD11 LEU 42 1HD1 LEU 42 5.628 -4.388 4.781 335 HD12 LEU 42 2HD1 LEU 42 5.604 -6.152 4.814 336 HD13 LEU 42 3HD1 LEU 42 4.629 -5.233 5.962 337 HD21 LEU 42 3HD2 LEU 42 4.990 -4.328 2.409 338 HD22 LEU 42 1HD2 LEU 42 3.509 -5.107 1.854 339 HD23 LEU 42 2HD2 LEU 42 4.908 -6.087 2.295 340 H GLU 43 H GLU 43 2.175 -5.326 7.757 341 HA GLU 43 HA GLU 43 -0.043 -3.605 7.018 342 HB2 GLU 43 2HB GLU 43 1.577 -3.726 9.576 343 HB3 GLU 43 3HB GLU 43 0.115 -2.777 9.339 344 HG2 GLU 43 2HG GLU 43 -1.138 -4.871 8.936 345 HG3 GLU 43 3HG GLU 43 0.328 -5.786 9.290 346 H ILE 44 H ILE 44 0.477 -1.984 5.659 347 HA ILE 44 HA ILE 44 2.923 -0.407 6.141 348 HB ILE 44 HB ILE 44 1.091 -0.365 3.725 349 HG12 ILE 44 2HG1 ILE 44 3.795 -1.703 4.060 350 HG13 ILE 44 3HG1 ILE 44 2.247 -2.541 3.997 351 HG21 ILE 44 1HG2 ILE 44 2.300 1.731 4.026 352 HG22 ILE 44 2HG2 ILE 44 2.936 0.853 2.635 353 HG23 ILE 44 3HG2 ILE 44 3.825 0.855 4.158 354 HD11 ILE 44 3HD1 ILE 44 1.912 -1.744 1.713 355 HD12 ILE 44 1HD1 ILE 44 3.405 -2.669 1.875 356 HD13 ILE 44 2HD1 ILE 44 3.466 -0.910 1.781 357 H ARG 45 H ARG 45 2.815 1.693 6.808 358 HA ARG 45 HA ARG 45 0.239 3.117 6.561 359 HB2 ARG 45 2HB ARG 45 2.215 3.213 8.847 360 HB3 ARG 45 3HB ARG 45 0.970 4.435 8.612 361 HG2 ARG 45 2HG ARG 45 -0.745 2.649 8.757 362 HG3 ARG 45 3HG ARG 45 0.541 1.494 9.113 363 HD2 ARG 45 2HD ARG 45 -0.578 2.273 11.156 364 HD3 ARG 45 3HD ARG 45 1.126 2.718 11.127 365 HE ARG 45 HE ARG 45 0.432 4.986 10.582 366 HH11 ARG 45 1HH1 ARG 45 -2.115 2.904 11.569 367 HH12 ARG 45 2HH1 ARG 45 -3.025 4.177 12.291 368 HH21 ARG 45 1HH2 ARG 45 -0.771 6.630 11.491 369 HH22 ARG 45 2HH2 ARG 45 -2.268 6.256 12.267 370 H ILE 46 H ILE 46 0.413 4.664 5.092 371 HA ILE 46 HA ILE 46 3.004 5.996 4.670 372 HB ILE 46 HB ILE 46 0.531 6.090 2.923 373 HG12 ILE 46 2HG1 ILE 46 3.091 4.481 2.595 374 HG13 ILE 46 3HG1 ILE 46 1.510 3.823 3.005 375 HG21 ILE 46 1HG2 ILE 46 2.084 7.033 1.235 376 HG22 ILE 46 2HG2 ILE 46 3.352 7.074 2.460 377 HG23 ILE 46 3HG2 ILE 46 1.905 8.064 2.654 378 HD11 ILE 46 3HD1 ILE 46 0.650 4.533 0.835 379 HD12 ILE 46 1HD1 ILE 46 2.041 3.463 0.667 380 HD13 ILE 46 2HD1 ILE 46 2.232 5.199 0.425 381 H THR 47 H THR 47 3.296 7.871 5.673 382 HA THR 47 HA THR 47 0.963 9.441 6.553 383 HB THR 47 HB THR 47 3.843 9.759 7.450 384 HG1 THR 47 HG1 THR 47 3.498 8.236 8.901 385 HG21 THR 47 3HG2 THR 47 2.405 11.718 7.833 386 HG22 THR 47 1HG2 THR 47 2.855 10.945 9.353 387 HG23 THR 47 2HG2 THR 47 1.244 10.698 8.681 388 H GLY 48 H GLY 48 0.447 11.275 5.488 389 HA2 GLY 48 2HA GLY 48 0.876 13.447 4.691 390 HA3 GLY 48 3HA GLY 48 2.577 13.040 4.539 391 H VAL 49 H VAL 49 -0.558 12.060 3.118 392 HA VAL 49 HA VAL 49 0.756 12.035 0.476 393 HB VAL 49 HB VAL 49 -1.176 10.549 -0.241 394 HG11 VAL 49 1HG1 VAL 49 0.697 9.473 1.880 395 HG12 VAL 49 2HG1 VAL 49 1.079 9.679 0.170 396 HG13 VAL 49 3HG1 VAL 49 -0.152 8.518 0.663 397 HG21 VAL 49 3HG2 VAL 49 -2.355 9.310 1.517 398 HG22 VAL 49 1HG2 VAL 49 -2.701 11.036 1.621 399 HG23 VAL 49 2HG2 VAL 49 -1.566 10.294 2.751 400 HA PRO 50 HA PRO 50 -1.824 15.507 -0.634 401 HB2 PRO 50 2HB PRO 50 -1.570 15.304 -3.354 402 HB3 PRO 50 3HB PRO 50 -0.326 15.990 -2.304 403 HG2 PRO 50 2HG PRO 50 -0.516 13.226 -3.453 404 HG3 PRO 50 3HG PRO 50 0.898 14.294 -3.337 405 HD2 PRO 50 2HD PRO 50 0.510 12.275 -1.601 406 HD3 PRO 50 3HD PRO 50 1.233 13.815 -1.091 407 H GLU 51 H GLU 51 -3.975 15.587 -0.684 408 HA GLU 51 HA GLU 51 -5.640 13.387 -0.992 409 HB2 GLU 51 2HB GLU 51 -7.500 14.965 -0.940 410 HB3 GLU 51 3HB GLU 51 -6.263 15.425 0.225 411 HG2 GLU 51 2HG GLU 51 -5.403 16.995 -1.630 412 HG3 GLU 51 3HG GLU 51 -6.974 16.727 -2.380 413 H GLN 52 H GLN 52 -4.638 15.726 -3.448 414 HA GLN 52 HA GLN 52 -6.520 15.001 -5.427 415 HB2 GLN 52 2HB GLN 52 -5.005 16.071 -7.037 416 HB3 GLN 52 3HB GLN 52 -5.233 17.058 -5.600 417 HG2 GLN 52 2HG GLN 52 -3.055 16.316 -4.747 418 HG3 GLN 52 3HG GLN 52 -2.831 15.327 -6.188 419 HE21 GLN 52 1HE2 GLN 52 -0.933 16.490 -6.720 420 HE22 GLN 52 2HE2 GLN 52 -1.020 18.076 -7.398 421 H VAL 53 H VAL 53 -3.333 13.669 -4.659 422 HA VAL 53 HA VAL 53 -3.411 11.835 -6.921 423 HB VAL 53 HB VAL 53 -1.363 12.090 -4.700 424 HG11 VAL 53 1HG1 VAL 53 0.113 10.780 -6.169 425 HG12 VAL 53 2HG1 VAL 53 -1.210 10.576 -7.318 426 HG13 VAL 53 3HG1 VAL 53 -1.319 9.861 -5.709 427 HG21 VAL 53 3HG2 VAL 53 0.015 13.238 -6.391 428 HG22 VAL 53 1HG2 VAL 53 -1.478 14.113 -6.052 429 HG23 VAL 53 2HG2 VAL 53 -1.331 13.161 -7.529 430 H ARG 54 H ARG 54 -4.339 11.843 -3.619 431 HA ARG 54 HA ARG 54 -3.965 9.281 -2.720 432 HB2 ARG 54 2HB ARG 54 -4.938 11.072 -1.369 433 HB3 ARG 54 3HB ARG 54 -6.417 11.008 -2.318 434 HG2 ARG 54 2HG ARG 54 -6.785 8.689 -1.532 435 HG3 ARG 54 3HG ARG 54 -5.339 8.824 -0.529 436 HD2 ARG 54 2HD ARG 54 -7.383 9.212 0.774 437 HD3 ARG 54 3HD ARG 54 -6.362 10.650 0.725 438 HE ARG 54 HE ARG 54 -7.957 11.303 -1.202 439 HH11 ARG 54 1HH1 ARG 54 -8.898 9.536 1.601 440 HH12 ARG 54 2HH1 ARG 54 -10.512 10.151 1.579 441 HH21 ARG 54 1HH2 ARG 54 -9.996 12.131 -1.186 442 HH22 ARG 54 2HH2 ARG 54 -11.117 11.648 0.040 443 H LYS 55 H LYS 55 -6.471 10.361 -4.981 444 HA LYS 55 HA LYS 55 -7.989 8.000 -5.071 445 HB2 LYS 55 2HB LYS 55 -8.849 8.814 -7.211 446 HB3 LYS 55 3HB LYS 55 -8.768 10.116 -6.034 447 HG2 LYS 55 2HG LYS 55 -6.748 10.980 -7.078 448 HG3 LYS 55 3HG LYS 55 -6.744 9.635 -8.221 449 HD2 LYS 55 2HD LYS 55 -7.663 11.544 -9.339 450 HD3 LYS 55 3HD LYS 55 -8.978 10.408 -9.040 451 HE2 LYS 55 2HE LYS 55 -9.803 12.577 -8.511 452 HE3 LYS 55 3HE LYS 55 -9.525 11.756 -6.977 453 HZ1 LYS 55 3HZ LYS 55 -8.695 13.990 -6.854 454 HZ2 LYS 55 1HZ LYS 55 -7.763 13.777 -8.247 455 HZ3 LYS 55 2HZ LYS 55 -7.377 12.932 -6.839 456 H GLU 56 H GLU 56 -5.116 8.952 -6.925 457 HA GLU 56 HA GLU 56 -5.039 6.622 -8.562 458 HB2 GLU 56 2HB GLU 56 -2.957 8.692 -7.844 459 HB3 GLU 56 3HB GLU 56 -2.621 7.350 -8.930 460 HG2 GLU 56 2HG GLU 56 -4.802 9.385 -9.378 461 HG3 GLU 56 3HG GLU 56 -3.184 9.484 -10.074 462 H LEU 57 H LEU 57 -3.620 7.476 -5.443 463 HA LEU 57 HA LEU 57 -1.998 5.175 -5.125 464 HB2 LEU 57 2HB LEU 57 -3.331 6.887 -3.017 465 HB3 LEU 57 3HB LEU 57 -2.048 5.729 -2.715 466 HG LEU 57 HG LEU 57 -1.797 8.232 -4.400 467 HD11 LEU 57 1HD1 LEU 57 -1.999 8.739 -2.026 468 HD12 LEU 57 2HD1 LEU 57 -0.360 9.048 -2.597 469 HD13 LEU 57 3HD1 LEU 57 -0.705 7.596 -1.656 470 HD21 LEU 57 3HD2 LEU 57 0.614 7.701 -4.417 471 HD22 LEU 57 1HD2 LEU 57 -0.350 6.476 -5.243 472 HD23 LEU 57 2HD2 LEU 57 0.268 6.166 -3.620 473 H ALA 58 H ALA 58 -5.347 5.870 -4.139 474 HA ALA 58 HA ALA 58 -5.912 3.362 -2.967 475 HB1 ALA 58 3HB ALA 58 -7.328 5.353 -2.655 476 HB2 ALA 58 1HB ALA 58 -8.260 3.964 -3.216 477 HB3 ALA 58 2HB ALA 58 -7.828 5.251 -4.343 478 H LYS 59 H LYS 59 -6.241 4.551 -6.287 479 HA LYS 59 HA LYS 59 -7.352 2.286 -7.498 480 HB2 LYS 59 2HB LYS 59 -7.115 4.430 -8.651 481 HB3 LYS 59 3HB LYS 59 -5.364 4.292 -8.598 482 HG2 LYS 59 2HG LYS 59 -5.745 2.096 -9.940 483 HG3 LYS 59 3HG LYS 59 -7.329 2.790 -10.287 484 HD2 LYS 59 2HD LYS 59 -5.789 3.348 -12.076 485 HD3 LYS 59 3HD LYS 59 -6.212 4.815 -11.187 486 HE2 LYS 59 2HE LYS 59 -4.105 4.671 -9.942 487 HE3 LYS 59 3HE LYS 59 -3.685 3.194 -10.809 488 HZ1 LYS 59 3HZ LYS 59 -2.571 5.099 -11.757 489 HZ2 LYS 59 1HZ LYS 59 -4.045 5.885 -12.019 490 HZ3 LYS 59 2HZ LYS 59 -3.669 4.471 -12.873 491 H GLU 60 H GLU 60 -3.931 3.159 -7.017 492 HA GLU 60 HA GLU 60 -2.906 0.897 -8.403 493 HB2 GLU 60 2HB GLU 60 -1.783 3.180 -7.949 494 HB3 GLU 60 3HB GLU 60 -1.340 2.502 -6.390 495 HG2 GLU 60 2HG GLU 60 0.502 2.241 -7.897 496 HG3 GLU 60 3HG GLU 60 -0.185 0.649 -7.569 497 H ALA 61 H ALA 61 -3.470 1.578 -4.970 498 HA ALA 61 HA ALA 61 -2.146 -0.536 -3.775 499 HB1 ALA 61 3HB ALA 61 -3.269 1.253 -2.525 500 HB2 ALA 61 1HB ALA 61 -3.737 -0.343 -1.937 501 HB3 ALA 61 2HB ALA 61 -4.836 0.576 -2.966 502 H GLU 62 H GLU 62 -5.537 -0.549 -4.934 503 HA GLU 62 HA GLU 62 -5.840 -3.370 -4.551 504 HB2 GLU 62 2HB GLU 62 -7.492 -1.422 -6.173 505 HB3 GLU 62 3HB GLU 62 -7.943 -3.093 -5.860 506 HG2 GLU 62 2HG GLU 62 -7.894 -2.567 -3.416 507 HG3 GLU 62 3HG GLU 62 -7.642 -0.873 -3.843 508 H ARG 63 H ARG 63 -4.813 -1.350 -7.235 509 HA ARG 63 HA ARG 63 -5.027 -3.164 -9.353 510 HB2 ARG 63 2HB ARG 63 -4.327 -0.647 -9.317 511 HB3 ARG 63 3HB ARG 63 -2.697 -1.261 -9.096 512 HG2 ARG 63 2HG ARG 63 -4.478 -2.011 -11.411 513 HG3 ARG 63 3HG ARG 63 -3.312 -0.691 -11.450 514 HD2 ARG 63 2HD ARG 63 -1.483 -2.217 -11.140 515 HD3 ARG 63 3HD ARG 63 -2.588 -3.562 -10.858 516 HE ARG 63 HE ARG 63 -2.129 -2.228 -13.437 517 HH11 ARG 63 1HH1 ARG 63 -3.317 -4.883 -11.597 518 HH12 ARG 63 2HH1 ARG 63 -3.564 -5.883 -12.985 519 HH21 ARG 63 1HH2 ARG 63 -2.451 -3.526 -15.218 520 HH22 ARG 63 2HH2 ARG 63 -3.082 -5.120 -15.004 521 H LEU 64 H LEU 64 -2.274 -2.584 -7.160 522 HA LEU 64 HA LEU 64 -0.514 -4.548 -7.999 523 HB2 LEU 64 2HB LEU 64 -1.112 -3.589 -5.193 524 HB3 LEU 64 3HB LEU 64 0.283 -4.565 -5.619 525 HG LEU 64 HG LEU 64 -0.265 -1.820 -6.768 526 HD11 LEU 64 1HD1 LEU 64 1.573 -2.610 -4.505 527 HD12 LEU 64 2HD1 LEU 64 0.113 -1.628 -4.374 528 HD13 LEU 64 3HD1 LEU 64 1.505 -1.022 -5.268 529 HD21 LEU 64 3HD2 LEU 64 2.204 -3.558 -6.816 530 HD22 LEU 64 1HD2 LEU 64 2.064 -1.933 -7.493 531 HD23 LEU 64 2HD2 LEU 64 1.122 -3.257 -8.178 532 H ALA 65 H ALA 65 -3.151 -4.854 -5.626 533 HA ALA 65 HA ALA 65 -2.826 -7.546 -4.967 534 HB1 ALA 65 3HB ALA 65 -5.391 -5.961 -5.113 535 HB2 ALA 65 1HB ALA 65 -4.296 -6.050 -3.733 536 HB3 ALA 65 2HB ALA 65 -5.172 -7.488 -4.257 537 H LYS 66 H LYS 66 -4.648 -6.089 -7.635 538 HA LYS 66 HA LYS 66 -5.842 -8.506 -8.538 539 HB2 LYS 66 2HB LYS 66 -5.343 -5.941 -10.072 540 HB3 LYS 66 3HB LYS 66 -6.463 -7.221 -10.536 541 HG2 LYS 66 2HG LYS 66 -7.767 -6.805 -8.490 542 HG3 LYS 66 3HG LYS 66 -6.657 -5.505 -8.059 543 HD2 LYS 66 2HD LYS 66 -7.274 -4.377 -10.217 544 HD3 LYS 66 3HD LYS 66 -8.509 -5.617 -10.446 545 HE2 LYS 66 2HE LYS 66 -8.333 -3.607 -8.196 546 HE3 LYS 66 3HE LYS 66 -9.539 -3.660 -9.481 547 HZ1 LYS 66 3HZ LYS 66 -10.514 -4.576 -7.534 548 HZ2 LYS 66 1HZ LYS 66 -9.193 -5.595 -7.253 549 HZ3 LYS 66 2HZ LYS 66 -10.209 -5.872 -8.573 550 H GLU 67 H GLU 67 -2.747 -6.994 -9.173 551 HA GLU 67 HA GLU 67 -1.992 -8.574 -11.415 552 HB2 GLU 67 2HB GLU 67 -0.367 -7.122 -9.313 553 HB3 GLU 67 3HB GLU 67 0.372 -7.973 -10.662 554 HG2 GLU 67 2HG GLU 67 -1.659 -5.791 -11.055 555 HG3 GLU 67 3HG GLU 67 0.064 -5.461 -10.891 556 H PHE 68 H PHE 68 -1.418 -8.949 -7.919 557 HA PHE 68 HA PHE 68 -0.134 -11.544 -8.380 558 HB2 PHE 68 2HB PHE 68 -0.396 -9.978 -5.805 559 HB3 PHE 68 3HB PHE 68 0.632 -11.381 -6.078 560 HD1 PHE 68 HD1 PHE 68 2.336 -11.106 -8.096 561 HD2 PHE 68 HD2 PHE 68 0.571 -7.879 -5.940 562 HE1 PHE 68 HE1 PHE 68 4.173 -9.628 -8.798 563 HE2 PHE 68 HE2 PHE 68 2.407 -6.402 -6.642 564 HZ PHE 68 HZ PHE 68 4.210 -7.274 -8.075 565 H ASN 69 H ASN 69 -3.234 -10.579 -7.949 566 HA ASN 69 HA ASN 69 -5.176 -11.591 -7.320 567 HB2 ASN 69 2HB ASN 69 -3.454 -14.085 -7.199 568 HB3 ASN 69 3HB ASN 69 -5.215 -14.064 -7.179 569 HD21 ASN 69 1HD2 ASN 69 -3.414 -15.321 -9.069 570 HD22 ASN 69 2HD2 ASN 69 -3.804 -14.660 -10.618 571 H ILE 70 H ILE 70 -3.378 -10.479 -5.226 572 HA ILE 70 HA ILE 70 -4.019 -12.223 -2.937 573 HB ILE 70 HB ILE 70 -2.328 -10.912 -1.661 574 HG12 ILE 70 2HG1 ILE 70 -0.635 -9.673 -3.253 575 HG13 ILE 70 3HG1 ILE 70 -2.030 -9.502 -4.308 576 HG21 ILE 70 1HG2 ILE 70 -0.373 -11.934 -2.749 577 HG22 ILE 70 2HG2 ILE 70 -1.344 -12.237 -4.190 578 HG23 ILE 70 3HG2 ILE 70 -1.747 -13.038 -2.671 579 HD11 ILE 70 3HD1 ILE 70 -1.829 -8.489 -1.478 580 HD12 ILE 70 1HD1 ILE 70 -3.210 -8.288 -2.556 581 HD13 ILE 70 2HD1 ILE 70 -1.671 -7.522 -2.944 582 H THR 71 H THR 71 -4.212 -10.831 -0.793 583 HA THR 71 HA THR 71 -6.581 -9.143 -1.237 584 HB THR 71 HB THR 71 -5.567 -10.445 1.311 585 HG1 THR 71 HG1 THR 71 -6.362 -11.989 -0.133 586 HG21 THR 71 3HG2 THR 71 -6.873 -8.435 1.809 587 HG22 THR 71 1HG2 THR 71 -7.789 -9.884 2.231 588 HG23 THR 71 2HG2 THR 71 -8.171 -8.997 0.754 589 H VAL 72 H VAL 72 -6.740 -7.032 -0.563 590 HA VAL 72 HA VAL 72 -4.683 -5.903 1.180 591 HB VAL 72 HB VAL 72 -3.815 -5.515 -1.097 592 HG11 VAL 72 1HG1 VAL 72 -6.352 -3.930 -1.535 593 HG12 VAL 72 2HG1 VAL 72 -5.921 -5.445 -2.328 594 HG13 VAL 72 3HG1 VAL 72 -4.973 -3.990 -2.633 595 HG21 VAL 72 3HG2 VAL 72 -3.294 -3.906 0.662 596 HG22 VAL 72 1HG2 VAL 72 -4.760 -2.998 0.290 597 HG23 VAL 72 2HG2 VAL 72 -3.453 -3.090 -0.893 598 H THR 73 H THR 73 -5.459 -4.362 2.549 599 HA THR 73 HA THR 73 -8.071 -3.096 1.936 600 HB THR 73 HB THR 73 -8.727 -3.166 4.269 601 HG1 THR 73 HG1 THR 73 -7.273 -4.560 5.681 602 HG21 THR 73 3HG2 THR 73 -8.976 -5.596 4.626 603 HG22 THR 73 1HG2 THR 73 -7.783 -5.895 3.360 604 HG23 THR 73 2HG2 THR 73 -9.325 -5.138 2.958 605 H TYR 74 H TYR 74 -8.220 -0.893 2.370 606 HA TYR 74 HA TYR 74 -5.822 0.346 3.560 607 HB2 TYR 74 2HB TYR 74 -5.982 2.190 1.909 608 HB3 TYR 74 3HB TYR 74 -5.608 0.634 1.182 609 HD1 TYR 74 HD2 TYR 74 -7.347 -0.562 -0.144 610 HD2 TYR 74 HD1 TYR 74 -7.984 3.380 1.341 611 HE1 TYR 74 HE2 TYR 74 -9.204 -0.271 -1.729 612 HE2 TYR 74 HE1 TYR 74 -9.841 3.680 -0.239 613 HH TYR 74 HH TYR 74 -11.196 1.078 -2.007 614 H THR 75 H THR 75 -6.286 1.428 5.308 615 HA THR 75 HA THR 75 -8.880 2.806 5.612 616 HB THR 75 HB THR 75 -6.753 2.228 7.708 617 HG1 THR 75 HG1 THR 75 -8.982 0.943 8.268 618 HG21 THR 75 3HG2 THR 75 -8.501 2.862 9.328 619 HG22 THR 75 1HG2 THR 75 -9.562 3.318 7.996 620 HG23 THR 75 2HG2 THR 75 -8.062 4.207 8.276 621 H ILE 76 H ILE 76 -8.946 5.066 5.890 622 HA ILE 76 HA ILE 76 -6.356 6.480 5.752 623 HB ILE 76 HB ILE 76 -8.801 7.151 4.094 624 HG12 ILE 76 2HG1 ILE 76 -6.077 6.074 3.297 625 HG13 ILE 76 3HG1 ILE 76 -7.599 5.191 3.241 626 HG21 ILE 76 1HG2 ILE 76 -7.616 9.170 4.803 627 HG22 ILE 76 2HG2 ILE 76 -7.394 8.894 3.076 628 HG23 ILE 76 3HG2 ILE 76 -6.097 8.503 4.205 629 HD11 ILE 76 3HD1 ILE 76 -6.877 7.595 1.581 630 HD12 ILE 76 1HD1 ILE 76 -8.415 6.731 1.525 631 HD13 ILE 76 2HD1 ILE 76 -6.927 5.919 1.037 632 H ARG 77 H ARG 77 -6.113 8.031 7.240 633 HA ARG 77 HA ARG 77 -8.396 9.007 8.763 634 HB2 ARG 77 2HB ARG 77 -5.477 9.806 8.971 635 HB3 ARG 77 3HB ARG 77 -6.747 10.190 10.127 636 HG2 ARG 77 2HG ARG 77 -7.015 7.759 10.569 637 HG3 ARG 77 3HG ARG 77 -5.645 7.448 9.500 638 HD2 ARG 77 2HD ARG 77 -4.806 7.439 11.726 639 HD3 ARG 77 3HD ARG 77 -4.274 8.949 10.989 640 HE ARG 77 HE ARG 77 -6.729 9.149 12.484 641 HH11 ARG 77 1HH1 ARG 77 -3.290 9.427 12.594 642 HH12 ARG 77 2HH1 ARG 77 -3.307 10.325 14.070 643 HH21 ARG 77 1HH2 ARG 77 -6.727 10.284 14.387 644 HH22 ARG 77 2HH2 ARG 77 -5.232 10.806 15.077 645 H LEU 78 H LEU 78 -9.625 10.526 7.793 646 HA LEU 78 HA LEU 78 -8.356 12.423 5.936 647 HB2 LEU 78 2HB LEU 78 -10.291 10.879 5.268 648 HB3 LEU 78 3HB LEU 78 -11.314 11.911 6.245 649 HG LEU 78 HG LEU 78 -9.678 12.962 3.925 650 HD11 LEU 78 1HD1 LEU 78 -11.712 12.847 2.580 651 HD12 LEU 78 2HD1 LEU 78 -12.551 12.029 3.898 652 HD13 LEU 78 3HD1 LEU 78 -11.191 11.242 3.092 653 HD21 LEU 78 3HD2 LEU 78 -10.420 14.667 5.505 654 HD22 LEU 78 1HD2 LEU 78 -12.081 14.086 5.380 655 HD23 LEU 78 2HD2 LEU 78 -11.291 14.814 3.980 656 H GLU 79 H GLU 79 -8.084 14.466 6.504 657 HA GLU 79 HA GLU 79 -9.322 15.536 8.921 658 HB2 GLU 79 2HB GLU 79 -7.240 16.733 7.069 659 HB3 GLU 79 3HB GLU 79 -7.739 17.400 8.617 660 HG2 GLU 79 2HG GLU 79 -6.782 15.577 9.809 661 HG3 GLU 79 3HG GLU 79 -6.507 14.670 8.322 662 H HIS 80 H HIS 80 -11.370 16.310 8.592 663 HA HIS 80 HA HIS 80 -11.815 18.083 6.262 664 HB2 HIS 80 2HB HIS 80 -12.939 15.903 5.960 665 HB3 HIS 80 3HB HIS 80 -13.812 16.147 7.469 666 HD1 HIS 80 HD1 HIS 80 -16.044 17.242 7.253 667 HD2 HIS 80 HD2 HIS 80 -13.634 17.950 3.942 668 HE1 HIS 80 HE1 HIS 80 -17.495 18.470 5.617 669 HE2 HIS 80 HE2 HIS 80 -16.058 18.776 3.578 670 H HIS 81 H HIS 81 -12.977 19.947 6.571 671 HA HIS 81 HA HIS 81 -13.367 20.842 9.312 672 HB2 HIS 81 2HB HIS 81 -13.766 22.276 6.670 673 HB3 HIS 81 3HB HIS 81 -13.888 23.030 8.257 674 HD1 HIS 81 HD1 HIS 81 -11.447 21.936 5.699 675 HD2 HIS 81 HD2 HIS 81 -11.396 23.344 9.607 676 HE1 HIS 81 HE1 HIS 81 -9.066 22.574 6.151 677 HE2 HIS 81 HE2 HIS 81 -9.110 23.621 8.435 678 H HIS 82 H HIS 82 -15.325 21.232 10.308 679 HA HIS 82 HA HIS 82 -17.801 20.905 8.772 680 HB2 HIS 82 2HB HIS 82 -17.190 18.639 9.560 681 HB3 HIS 82 3HB HIS 82 -17.145 19.230 11.216 682 HD1 HIS 82 HD1 HIS 82 -19.485 18.166 8.526 683 HD2 HIS 82 HD2 HIS 82 -19.681 19.693 12.388 684 HE1 HIS 82 HE1 HIS 82 -21.864 17.847 9.257 685 HE2 HIS 82 HE2 HIS 82 -21.927 18.651 11.640 686 H HIS 83 H HIS 83 -18.717 22.861 9.216 687 HA HIS 83 HA HIS 83 -18.512 24.090 11.825 688 HB2 HIS 83 2HB HIS 83 -20.020 24.884 9.327 689 HB3 HIS 83 3HB HIS 83 -20.027 25.833 10.809 690 HD1 HIS 83 HD1 HIS 83 -18.084 25.222 7.757 691 HD2 HIS 83 HD2 HIS 83 -17.440 26.947 11.483 692 HE1 HIS 83 HE1 HIS 83 -15.986 26.575 7.519 693 HE2 HIS 83 HE2 HIS 83 -15.649 27.666 9.759 694 H HIS 84 H HIS 84 -20.215 24.581 13.236 695 HA HIS 84 HA HIS 84 -22.829 23.355 12.821 696 HB2 HIS 84 2HB HIS 84 -21.556 21.559 13.870 697 HB3 HIS 84 3HB HIS 84 -21.024 22.643 15.149 698 HD1 HIS 84 HD1 HIS 84 -22.695 23.159 17.033 699 HD2 HIS 84 HD2 HIS 84 -24.191 20.592 14.133 700 HE1 HIS 84 HE1 HIS 84 -24.794 22.201 18.011 701 HE2 HIS 84 HE2 HIS 84 -25.562 20.506 16.323 702 H HIS 85 H HIS 85 -24.460 24.504 13.774 703 HA HIS 85 HA HIS 85 -23.747 26.969 15.153 704 HB2 HIS 85 2HB HIS 85 -25.390 27.086 13.353 705 HB3 HIS 85 3HB HIS 85 -26.420 25.923 14.178 706 HD1 HIS 85 HD1 HIS 85 -28.166 26.886 15.683 707 HD2 HIS 85 HD2 HIS 85 -25.141 29.605 14.844 708 HE1 HIS 85 HE1 HIS 85 -28.901 29.048 16.720 709 HE2 HIS 85 HE2 HIS 85 -27.126 30.709 16.079 Start of MODEL 20 1 H1 MET 1 1H MET 1 -3.377 15.117 6.232 2 H2 MET 1 2H MET 1 -2.044 14.475 5.414 3 H3 MET 1 3H MET 1 -2.200 14.248 7.082 4 HA MET 1 HA MET 1 -4.186 12.930 6.755 5 HB2 MET 1 2HB MET 1 -4.921 13.990 4.660 6 HB3 MET 1 3HB MET 1 -3.552 13.283 3.812 7 HG2 MET 1 2HG MET 1 -4.428 11.049 4.196 8 HG3 MET 1 3HG MET 1 -5.761 11.714 5.138 9 HE1 MET 1 3HE MET 1 -4.100 11.499 1.608 10 HE2 MET 1 1HE MET 1 -4.281 13.243 1.803 11 HE3 MET 1 2HE MET 1 -5.244 12.384 0.601 12 H GLU 2 H GLU 2 -3.910 10.741 6.916 13 HA GLU 2 HA GLU 2 -1.409 9.561 5.868 14 HB2 GLU 2 2HB GLU 2 -2.631 9.080 8.601 15 HB3 GLU 2 3HB GLU 2 -1.236 8.229 7.949 16 HG2 GLU 2 2HG GLU 2 0.045 10.285 7.906 17 HG3 GLU 2 3HG GLU 2 -1.362 11.202 8.444 18 H MET 3 H MET 3 -1.538 7.348 5.257 19 HA MET 3 HA MET 3 -4.276 6.256 5.117 20 HB2 MET 3 2HB MET 3 -3.872 5.596 2.761 21 HB3 MET 3 3HB MET 3 -3.907 7.335 3.008 22 HG2 MET 3 2HG MET 3 -1.421 7.335 2.999 23 HG3 MET 3 3HG MET 3 -1.466 5.619 2.597 24 HE1 MET 3 3HE MET 3 -4.089 5.607 0.693 25 HE2 MET 3 1HE MET 3 -2.631 4.685 0.343 26 HE3 MET 3 2HE MET 3 -3.326 5.735 -0.893 27 H ASP 4 H ASP 4 -4.374 4.300 5.953 28 HA ASP 4 HA ASP 4 -2.084 2.528 6.107 29 HB2 ASP 4 2HB ASP 4 -4.945 2.338 7.049 30 HB3 ASP 4 3HB ASP 4 -3.856 0.959 7.125 31 H ILE 5 H ILE 5 -1.658 0.852 4.802 32 HA ILE 5 HA ILE 5 -3.777 -0.350 3.167 33 HB ILE 5 HB ILE 5 -1.050 0.435 2.089 34 HG12 ILE 5 2HG1 ILE 5 -3.845 1.356 1.332 35 HG13 ILE 5 3HG1 ILE 5 -2.623 2.316 2.158 36 HG21 ILE 5 1HG2 ILE 5 -3.274 -1.104 0.735 37 HG22 ILE 5 2HG2 ILE 5 -1.721 -1.761 1.249 38 HG23 ILE 5 3HG2 ILE 5 -1.786 -0.554 -0.036 39 HD11 ILE 5 3HD1 ILE 5 -1.211 2.242 0.179 40 HD12 ILE 5 1HD1 ILE 5 -2.800 2.911 -0.190 41 HD13 ILE 5 2HD1 ILE 5 -2.415 1.253 -0.648 42 H ARG 6 H ARG 6 -3.690 -2.559 3.139 43 HA ARG 6 HA ARG 6 -1.304 -3.876 4.267 44 HB2 ARG 6 2HB ARG 6 -4.179 -4.233 5.135 45 HB3 ARG 6 3HB ARG 6 -2.902 -5.370 5.550 46 HG2 ARG 6 2HG ARG 6 -1.828 -3.860 6.957 47 HG3 ARG 6 3HG ARG 6 -2.602 -2.459 6.212 48 HD2 ARG 6 2HD ARG 6 -4.704 -2.996 7.232 49 HD3 ARG 6 3HD ARG 6 -4.095 -4.549 7.800 50 HE ARG 6 HE ARG 6 -3.416 -3.459 9.663 51 HH11 ARG 6 1HH1 ARG 6 -3.224 -1.150 7.086 52 HH12 ARG 6 2HH1 ARG 6 -2.727 0.125 8.147 53 HH21 ARG 6 1HH2 ARG 6 -2.810 -1.781 10.967 54 HH22 ARG 6 2HH2 ARG 6 -2.497 -0.224 10.277 55 H PHE 7 H PHE 7 -0.561 -5.218 2.755 56 HA PHE 7 HA PHE 7 -2.392 -6.585 0.914 57 HB2 PHE 7 2HB PHE 7 0.636 -6.456 0.992 58 HB3 PHE 7 3HB PHE 7 -0.284 -7.352 -0.208 59 HD1 PHE 7 HD2 PHE 7 0.725 -4.026 0.942 60 HD2 PHE 7 HD1 PHE 7 -1.497 -6.209 -1.967 61 HE1 PHE 7 HE2 PHE 7 0.621 -2.025 -0.480 62 HE2 PHE 7 HE1 PHE 7 -1.597 -4.206 -3.397 63 HZ PHE 7 HZ PHE 7 -0.539 -2.113 -2.651 64 H ARG 8 H ARG 8 -2.646 -8.819 0.823 65 HA ARG 8 HA ARG 8 -1.133 -10.483 2.704 66 HB2 ARG 8 2HB ARG 8 -3.111 -9.831 3.951 67 HB3 ARG 8 3HB ARG 8 -4.155 -10.324 2.623 68 HG2 ARG 8 2HG ARG 8 -3.605 -12.641 2.970 69 HG3 ARG 8 3HG ARG 8 -2.374 -12.215 4.163 70 HD2 ARG 8 2HD ARG 8 -4.058 -11.367 5.667 71 HD3 ARG 8 3HD ARG 8 -5.317 -11.608 4.458 72 HE ARG 8 HE ARG 8 -4.812 -14.044 4.685 73 HH11 ARG 8 1HH1 ARG 8 -3.958 -11.898 7.239 74 HH12 ARG 8 2HH1 ARG 8 -4.257 -13.074 8.472 75 HH21 ARG 8 1HH2 ARG 8 -5.153 -15.558 6.271 76 HH22 ARG 8 2HH2 ARG 8 -4.888 -15.140 7.926 77 H GLY 9 H GLY 9 -0.504 -12.363 1.795 78 HA2 GLY 9 2HA GLY 9 -2.108 -13.841 -0.058 79 HA3 GLY 9 3HA GLY 9 -0.849 -12.949 -0.892 80 H ASP 10 H ASP 10 -0.464 -15.335 -1.453 81 HA ASP 10 HA ASP 10 0.962 -16.819 0.627 82 HB2 ASP 10 2HB ASP 10 0.095 -17.641 -2.154 83 HB3 ASP 10 3HB ASP 10 0.843 -18.705 -0.965 84 H ASP 11 H ASP 11 1.527 -15.801 -2.755 85 HA ASP 11 HA ASP 11 4.225 -16.575 -2.899 86 HB2 ASP 11 2HB ASP 11 2.868 -14.309 -4.390 87 HB3 ASP 11 3HB ASP 11 4.357 -15.125 -4.866 88 H LEU 12 H LEU 12 5.905 -15.842 -1.757 89 HA LEU 12 HA LEU 12 5.691 -13.784 0.117 90 HB2 LEU 12 2HB LEU 12 7.258 -15.681 0.287 91 HB3 LEU 12 3HB LEU 12 8.219 -14.991 -1.009 92 HG LEU 12 HG LEU 12 8.679 -13.011 0.408 93 HD11 LEU 12 1HD1 LEU 12 7.216 -14.558 2.551 94 HD12 LEU 12 2HD1 LEU 12 6.672 -13.062 1.791 95 HD13 LEU 12 3HD1 LEU 12 8.124 -13.065 2.790 96 HD21 LEU 12 3HD2 LEU 12 9.398 -15.664 1.665 97 HD22 LEU 12 1HD2 LEU 12 10.213 -14.129 1.966 98 HD23 LEU 12 2HD2 LEU 12 10.269 -14.855 0.361 99 H GLU 13 H GLU 13 7.474 -13.751 -2.992 100 HA GLU 13 HA GLU 13 8.555 -11.197 -2.755 101 HB2 GLU 13 2HB GLU 13 7.777 -12.738 -5.232 102 HB3 GLU 13 3HB GLU 13 8.632 -11.200 -5.285 103 HG2 GLU 13 2HG GLU 13 10.315 -12.397 -3.687 104 HG3 GLU 13 3HG GLU 13 9.584 -13.868 -4.332 105 H ALA 14 H ALA 14 5.279 -12.070 -3.493 106 HA ALA 14 HA ALA 14 4.377 -9.854 -4.916 107 HB1 ALA 14 3HB ALA 14 3.006 -11.827 -4.516 108 HB2 ALA 14 1HB ALA 14 2.158 -10.367 -4.004 109 HB3 ALA 14 2HB ALA 14 2.900 -11.426 -2.802 110 H PHE 15 H PHE 15 5.040 -10.171 -1.469 111 HA PHE 15 HA PHE 15 3.824 -7.703 -0.691 112 HB2 PHE 15 2HB PHE 15 5.946 -9.333 0.735 113 HB3 PHE 15 3HB PHE 15 4.988 -8.044 1.453 114 HD1 PHE 15 HD1 PHE 15 2.432 -8.362 1.476 115 HD2 PHE 15 HD2 PHE 15 5.193 -11.536 0.821 116 HE1 PHE 15 HE1 PHE 15 0.708 -9.995 2.113 117 HE2 PHE 15 HE2 PHE 15 3.471 -13.172 1.456 118 HZ PHE 15 HZ PHE 15 1.223 -12.403 2.101 119 H GLU 16 H GLU 16 7.306 -8.614 -0.884 120 HA GLU 16 HA GLU 16 8.329 -6.051 -0.473 121 HB2 GLU 16 2HB GLU 16 10.432 -6.895 -1.428 122 HB3 GLU 16 3HB GLU 16 9.720 -8.048 -0.308 123 HG2 GLU 16 2HG GLU 16 8.924 -9.406 -2.129 124 HG3 GLU 16 3HG GLU 16 9.451 -8.206 -3.306 125 H LYS 17 H LYS 17 7.401 -7.616 -3.527 126 HA LYS 17 HA LYS 17 8.486 -5.576 -5.193 127 HB2 LYS 17 2HB LYS 17 6.470 -7.753 -5.756 128 HB3 LYS 17 3HB LYS 17 7.086 -6.663 -6.991 129 HG2 LYS 17 2HG LYS 17 8.718 -8.605 -5.349 130 HG3 LYS 17 3HG LYS 17 8.279 -8.777 -7.051 131 HD2 LYS 17 2HD LYS 17 9.549 -6.713 -7.558 132 HD3 LYS 17 3HD LYS 17 10.026 -6.612 -5.863 133 HE2 LYS 17 2HE LYS 17 10.686 -8.893 -7.730 134 HE3 LYS 17 3HE LYS 17 11.787 -7.591 -7.284 135 HZ1 LYS 17 3HZ LYS 17 11.545 -8.323 -4.942 136 HZ2 LYS 17 1HZ LYS 17 12.260 -9.485 -5.946 137 HZ3 LYS 17 2HZ LYS 17 10.649 -9.656 -5.484 138 H ALA 18 H ALA 18 5.160 -6.186 -4.018 139 HA ALA 18 HA ALA 18 3.981 -3.944 -5.290 140 HB1 ALA 18 3HB ALA 18 2.152 -4.199 -3.702 141 HB2 ALA 18 1HB ALA 18 3.148 -5.245 -2.689 142 HB3 ALA 18 2HB ALA 18 2.661 -5.778 -4.299 143 H LEU 19 H LEU 19 5.341 -4.358 -2.034 144 HA LEU 19 HA LEU 19 5.070 -1.770 -1.050 145 HB2 LEU 19 2HB LEU 19 5.781 -3.628 0.338 146 HB3 LEU 19 3HB LEU 19 7.251 -3.812 -0.598 147 HG LEU 19 HG LEU 19 8.006 -1.581 0.215 148 HD11 LEU 19 1HD1 LEU 19 5.840 -0.588 0.699 149 HD12 LEU 19 2HD1 LEU 19 6.871 -0.564 2.128 150 HD13 LEU 19 3HD1 LEU 19 5.574 -1.753 1.996 151 HD21 LEU 19 3HD2 LEU 19 8.591 -2.327 2.458 152 HD22 LEU 19 1HD2 LEU 19 8.748 -3.643 1.294 153 HD23 LEU 19 2HD2 LEU 19 7.358 -3.585 2.379 154 H LYS 20 H LYS 20 7.669 -3.160 -3.019 155 HA LYS 20 HA LYS 20 9.444 -1.018 -3.068 156 HB2 LYS 20 2HB LYS 20 9.962 -3.260 -3.941 157 HB3 LYS 20 3HB LYS 20 8.854 -3.001 -5.280 158 HG2 LYS 20 2HG LYS 20 11.095 -2.685 -6.056 159 HG3 LYS 20 3HG LYS 20 10.283 -1.118 -6.040 160 HD2 LYS 20 2HD LYS 20 11.385 -0.575 -3.909 161 HD3 LYS 20 3HD LYS 20 12.186 -2.149 -3.924 162 HE2 LYS 20 2HE LYS 20 13.280 -1.526 -6.058 163 HE3 LYS 20 3HE LYS 20 12.544 0.072 -5.938 164 HZ1 LYS 20 3HZ LYS 20 14.419 -1.099 -3.956 165 HZ2 LYS 20 1HZ LYS 20 13.758 0.455 -3.900 166 HZ3 LYS 20 2HZ LYS 20 14.833 0.039 -5.133 167 H GLU 21 H GLU 21 6.720 -1.695 -5.280 168 HA GLU 21 HA GLU 21 7.089 0.602 -6.899 169 HB2 GLU 21 2HB GLU 21 4.605 -1.055 -6.396 170 HB3 GLU 21 3HB GLU 21 4.731 0.190 -7.631 171 HG2 GLU 21 2HG GLU 21 6.357 -2.341 -7.479 172 HG3 GLU 21 3HG GLU 21 5.029 -2.015 -8.591 173 H MET 22 H MET 22 5.107 0.043 -4.002 174 HA MET 22 HA MET 22 3.781 2.527 -3.968 175 HB2 MET 22 2HB MET 22 4.598 0.759 -1.654 176 HB3 MET 22 3HB MET 22 3.483 2.113 -1.532 177 HG2 MET 22 2HG MET 22 2.001 0.963 -3.168 178 HG3 MET 22 3HG MET 22 3.091 -0.421 -3.110 179 HE1 MET 22 3HE MET 22 0.553 1.805 -1.086 180 HE2 MET 22 1HE MET 22 2.055 1.981 -0.177 181 HE3 MET 22 2HE MET 22 0.694 1.108 0.528 182 H ILE 23 H ILE 23 6.742 1.554 -2.194 183 HA ILE 23 HA ILE 23 7.400 4.093 -1.193 184 HB ILE 23 HB ILE 23 9.264 1.824 -1.946 185 HG12 ILE 23 2HG1 ILE 23 8.019 2.578 0.718 186 HG13 ILE 23 3HG1 ILE 23 7.554 1.203 -0.277 187 HG21 ILE 23 1HG2 ILE 23 10.493 3.922 -1.770 188 HG22 ILE 23 2HG2 ILE 23 10.873 2.872 -0.406 189 HG23 ILE 23 3HG2 ILE 23 9.773 4.234 -0.191 190 HD11 ILE 23 3HD1 ILE 23 10.227 1.601 1.051 191 HD12 ILE 23 1HD1 ILE 23 9.770 0.225 0.046 192 HD13 ILE 23 2HD1 ILE 23 8.945 0.511 1.578 193 H ARG 24 H ARG 24 8.295 2.501 -4.228 194 HA ARG 24 HA ARG 24 10.020 4.285 -5.394 195 HB2 ARG 24 2HB ARG 24 9.410 2.185 -6.442 196 HB3 ARG 24 3HB ARG 24 7.753 2.726 -6.652 197 HG2 ARG 24 2HG ARG 24 8.584 4.481 -8.211 198 HG3 ARG 24 3HG ARG 24 10.196 3.771 -8.071 199 HD2 ARG 24 2HD ARG 24 9.372 1.660 -8.962 200 HD3 ARG 24 3HD ARG 24 7.729 2.303 -9.022 201 HE ARG 24 HE ARG 24 9.792 3.675 -10.562 202 HH11 ARG 24 1HH1 ARG 24 7.104 1.498 -10.559 203 HH12 ARG 24 2HH1 ARG 24 6.791 1.733 -12.243 204 HH21 ARG 24 1HH2 ARG 24 9.388 3.936 -12.715 205 HH22 ARG 24 2HH2 ARG 24 8.066 3.099 -13.447 206 H GLN 25 H GLN 25 6.449 4.437 -5.562 207 HA GLN 25 HA GLN 25 6.438 6.988 -6.882 208 HB2 GLN 25 2HB GLN 25 4.197 5.512 -5.481 209 HB3 GLN 25 3HB GLN 25 3.999 6.905 -6.536 210 HG2 GLN 25 2HG GLN 25 5.077 4.209 -7.346 211 HG3 GLN 25 3HG GLN 25 3.461 4.820 -7.679 212 HE21 GLN 25 1HE2 GLN 25 6.840 5.082 -8.482 213 HE22 GLN 25 2HE2 GLN 25 6.625 5.988 -9.934 214 H ALA 26 H ALA 26 6.247 5.920 -3.542 215 HA ALA 26 HA ALA 26 5.250 8.304 -2.399 216 HB1 ALA 26 3HB ALA 26 5.987 7.393 -0.267 217 HB2 ALA 26 1HB ALA 26 6.979 6.196 -1.102 218 HB3 ALA 26 2HB ALA 26 5.222 6.139 -1.242 219 H ARG 27 H ARG 27 8.528 7.312 -3.240 220 HA ARG 27 HA ARG 27 9.935 9.305 -1.811 221 HB2 ARG 27 2HB ARG 27 10.741 7.998 -4.422 222 HB3 ARG 27 3HB ARG 27 11.812 8.846 -3.311 223 HG2 ARG 27 2HG ARG 27 11.282 7.141 -1.583 224 HG3 ARG 27 3HG ARG 27 10.342 6.266 -2.791 225 HD2 ARG 27 2HD ARG 27 12.425 5.199 -2.795 226 HD3 ARG 27 3HD ARG 27 12.486 6.266 -4.196 227 HE ARG 27 HE ARG 27 13.719 6.959 -1.609 228 HH11 ARG 27 1HH1 ARG 27 13.811 6.903 -5.057 229 HH12 ARG 27 2HH1 ARG 27 15.430 7.508 -5.118 230 HH21 ARG 27 1HH2 ARG 27 15.766 7.750 -1.710 231 HH22 ARG 27 2HH2 ARG 27 16.524 7.983 -3.249 232 H LYS 28 H LYS 28 8.184 9.400 -4.812 233 HA LYS 28 HA LYS 28 9.233 11.684 -6.028 234 HB2 LYS 28 2HB LYS 28 7.571 10.099 -7.030 235 HB3 LYS 28 3HB LYS 28 6.332 10.805 -6.007 236 HG2 LYS 28 2HG LYS 28 6.149 11.729 -8.216 237 HG3 LYS 28 3HG LYS 28 6.706 12.989 -7.116 238 HD2 LYS 28 2HD LYS 28 7.925 13.050 -9.244 239 HD3 LYS 28 3HD LYS 28 9.000 12.681 -7.895 240 HE2 LYS 28 2HE LYS 28 8.926 10.306 -8.470 241 HE3 LYS 28 3HE LYS 28 7.813 10.648 -9.793 242 HZ1 LYS 28 3HZ LYS 28 10.148 10.386 -10.490 243 HZ2 LYS 28 1HZ LYS 28 10.555 11.760 -9.595 244 HZ3 LYS 28 2HZ LYS 28 9.501 11.890 -10.909 245 H PHE 29 H PHE 29 7.218 11.386 -3.218 246 HA PHE 29 HA PHE 29 6.998 14.331 -3.020 247 HB2 PHE 29 2HB PHE 29 5.127 12.248 -1.852 248 HB3 PHE 29 3HB PHE 29 4.961 13.992 -1.681 249 HD1 PHE 29 HD1 PHE 29 4.326 15.379 -3.629 250 HD2 PHE 29 HD2 PHE 29 4.445 11.122 -3.860 251 HE1 PHE 29 HE1 PHE 29 2.987 15.451 -5.692 252 HE2 PHE 29 HE2 PHE 29 3.102 11.196 -5.920 253 HZ PHE 29 HZ PHE 29 2.370 13.361 -6.837 254 H ALA 30 H ALA 30 6.865 15.100 -0.700 255 HA ALA 30 HA ALA 30 8.938 13.834 0.886 256 HB1 ALA 30 3HB ALA 30 8.731 15.777 2.348 257 HB2 ALA 30 1HB ALA 30 7.308 16.315 1.454 258 HB3 ALA 30 2HB ALA 30 8.885 16.273 0.663 259 H GLY 31 H GLY 31 7.962 11.864 1.510 260 HA2 GLY 31 2HA GLY 31 6.061 12.136 3.737 261 HA3 GLY 31 3HA GLY 31 5.588 11.120 2.386 262 H THR 32 H THR 32 5.843 10.252 5.068 263 HA THR 32 HA THR 32 8.262 8.550 5.017 264 HB THR 32 HB THR 32 6.446 9.189 7.365 265 HG1 THR 32 HG1 THR 32 7.782 10.787 7.776 266 HG21 THR 32 3HG2 THR 32 9.090 7.718 7.291 267 HG22 THR 32 1HG2 THR 32 7.514 6.977 7.567 268 HG23 THR 32 2HG2 THR 32 8.169 8.121 8.738 269 H VAL 33 H VAL 33 8.055 6.403 4.689 270 HA VAL 33 HA VAL 33 5.351 5.215 4.816 271 HB VAL 33 HB VAL 33 7.747 4.255 3.228 272 HG11 VAL 33 1HG1 VAL 33 6.160 2.711 2.156 273 HG12 VAL 33 2HG1 VAL 33 4.888 3.265 3.245 274 HG13 VAL 33 3HG1 VAL 33 6.291 2.409 3.889 275 HG21 VAL 33 3HG2 VAL 33 6.870 6.338 2.320 276 HG22 VAL 33 1HG2 VAL 33 5.239 5.667 2.306 277 HG23 VAL 33 2HG2 VAL 33 6.480 4.991 1.249 278 H THR 34 H THR 34 5.092 4.173 6.707 279 HA THR 34 HA THR 34 7.316 2.608 7.860 280 HB THR 34 HB THR 34 6.069 2.553 9.926 281 HG1 THR 34 HG1 THR 34 3.953 2.296 9.015 282 HG21 THR 34 3HG2 THR 34 7.259 4.657 9.522 283 HG22 THR 34 1HG2 THR 34 5.773 4.947 10.428 284 HG23 THR 34 2HG2 THR 34 5.837 5.315 8.705 285 H TYR 35 H TYR 35 7.267 0.367 7.803 286 HA TYR 35 HA TYR 35 4.693 -0.943 7.316 287 HB2 TYR 35 2HB TYR 35 5.475 -2.221 5.415 288 HB3 TYR 35 3HB TYR 35 5.682 -0.507 5.081 289 HD1 TYR 35 HD1 TYR 35 7.417 -3.670 5.773 290 HD2 TYR 35 HD2 TYR 35 7.909 0.462 4.855 291 HE1 TYR 35 HE1 TYR 35 9.778 -4.082 5.241 292 HE2 TYR 35 HE2 TYR 35 10.279 0.065 4.317 293 HH TYR 35 HH TYR 35 11.594 -3.149 4.058 294 H THR 36 H THR 36 4.539 -3.083 7.958 295 HA THR 36 HA THR 36 6.984 -4.457 8.844 296 HB THR 36 HB THR 36 6.017 -3.591 10.911 297 HG1 THR 36 HG1 THR 36 5.544 -5.769 11.879 298 HG21 THR 36 3HG2 THR 36 3.673 -3.384 10.176 299 HG22 THR 36 1HG2 THR 36 3.807 -4.280 11.691 300 HG23 THR 36 2HG2 THR 36 3.527 -5.141 10.179 301 H LEU 37 H LEU 37 7.097 -6.547 8.173 302 HA LEU 37 HA LEU 37 4.730 -7.711 6.888 303 HB2 LEU 37 2HB LEU 37 6.890 -7.687 5.677 304 HB3 LEU 37 3HB LEU 37 7.589 -8.695 6.931 305 HG LEU 37 HG LEU 37 6.109 -10.533 6.338 306 HD11 LEU 37 1HD1 LEU 37 4.991 -8.681 4.230 307 HD12 LEU 37 2HD1 LEU 37 4.143 -9.265 5.663 308 HD13 LEU 37 3HD1 LEU 37 4.619 -10.397 4.399 309 HD21 LEU 37 3HD2 LEU 37 7.466 -9.345 3.916 310 HD22 LEU 37 1HD2 LEU 37 6.983 -11.030 4.106 311 HD23 LEU 37 2HD2 LEU 37 8.232 -10.350 5.149 312 H ASP 38 H ASP 38 3.411 -8.801 8.214 313 HA ASP 38 HA ASP 38 4.571 -10.435 10.381 314 HB2 ASP 38 2HB ASP 38 3.616 -8.215 11.128 315 HB3 ASP 38 3HB ASP 38 2.039 -8.792 10.601 316 H GLY 39 H GLY 39 4.043 -12.508 10.130 317 HA2 GLY 39 2HA GLY 39 2.826 -14.425 9.738 318 HA3 GLY 39 3HA GLY 39 1.380 -13.436 9.847 319 H ASN 40 H ASN 40 0.276 -12.952 8.006 320 HA ASN 40 HA ASN 40 1.555 -13.597 5.412 321 HB2 ASN 40 2HB ASN 40 -1.341 -13.994 6.218 322 HB3 ASN 40 3HB ASN 40 -0.734 -14.180 4.576 323 HD21 ASN 40 1HD2 ASN 40 -0.814 -15.535 7.765 324 HD22 ASN 40 2HD2 ASN 40 -0.157 -17.075 7.343 325 H ASP 41 H ASP 41 0.785 -11.080 7.213 326 HA ASP 41 HA ASP 41 -0.440 -9.493 5.045 327 HB2 ASP 41 2HB ASP 41 -0.584 -9.118 8.047 328 HB3 ASP 41 3HB ASP 41 -1.211 -7.964 6.872 329 H LEU 42 H LEU 42 0.558 -7.681 4.349 330 HA LEU 42 HA LEU 42 2.981 -6.761 5.748 331 HB2 LEU 42 2HB LEU 42 3.363 -7.415 3.425 332 HB3 LEU 42 3HB LEU 42 2.090 -6.332 2.888 333 HG LEU 42 HG LEU 42 3.431 -4.393 3.660 334 HD11 LEU 42 1HD1 LEU 42 5.802 -4.728 4.236 335 HD12 LEU 42 2HD1 LEU 42 5.538 -6.472 4.254 336 HD13 LEU 42 3HD1 LEU 42 4.713 -5.442 5.425 337 HD21 LEU 42 3HD2 LEU 42 3.565 -5.092 1.337 338 HD22 LEU 42 1HD2 LEU 42 4.847 -6.239 1.733 339 HD23 LEU 42 2HD2 LEU 42 5.133 -4.506 1.892 340 H GLU 43 H GLU 43 2.331 -5.293 7.199 341 HA GLU 43 HA GLU 43 0.127 -3.480 6.718 342 HB2 GLU 43 2HB GLU 43 0.529 -4.550 8.921 343 HB3 GLU 43 3HB GLU 43 2.052 -3.692 9.053 344 HG2 GLU 43 2HG GLU 43 -0.508 -2.174 8.741 345 HG3 GLU 43 3HG GLU 43 -0.046 -2.826 10.310 346 H ILE 44 H ILE 44 0.391 -1.647 5.591 347 HA ILE 44 HA ILE 44 2.972 -0.203 5.747 348 HB ILE 44 HB ILE 44 1.136 -0.346 3.339 349 HG12 ILE 44 2HG1 ILE 44 3.848 -1.654 3.708 350 HG13 ILE 44 3HG1 ILE 44 2.311 -2.507 3.823 351 HG21 ILE 44 1HG2 ILE 44 3.882 0.874 3.674 352 HG22 ILE 44 2HG2 ILE 44 2.364 1.748 3.472 353 HG23 ILE 44 3HG2 ILE 44 2.991 0.759 2.155 354 HD11 ILE 44 3HD1 ILE 44 1.835 -1.953 1.491 355 HD12 ILE 44 1HD1 ILE 44 3.344 -2.848 1.661 356 HD13 ILE 44 2HD1 ILE 44 3.380 -1.108 1.380 357 H ARG 45 H ARG 45 2.815 1.866 6.440 358 HA ARG 45 HA ARG 45 0.289 3.320 5.976 359 HB2 ARG 45 2HB ARG 45 0.474 2.791 8.351 360 HB3 ARG 45 3HB ARG 45 2.080 3.509 8.410 361 HG2 ARG 45 2HG ARG 45 1.177 5.705 7.995 362 HG3 ARG 45 3HG ARG 45 -0.435 5.034 7.732 363 HD2 ARG 45 2HD ARG 45 1.128 4.964 10.312 364 HD3 ARG 45 3HD ARG 45 -0.251 6.004 9.960 365 HE ARG 45 HE ARG 45 -0.716 3.150 9.714 366 HH11 ARG 45 1HH1 ARG 45 -1.074 5.981 11.651 367 HH12 ARG 45 2HH1 ARG 45 -2.195 5.222 12.721 368 HH21 ARG 45 1HH2 ARG 45 -2.157 2.216 11.060 369 HH22 ARG 45 2HH2 ARG 45 -2.791 3.109 12.401 370 H ILE 46 H ILE 46 0.504 5.157 4.833 371 HA ILE 46 HA ILE 46 3.213 6.318 4.566 372 HB ILE 46 HB ILE 46 0.914 6.612 2.617 373 HG12 ILE 46 2HG1 ILE 46 3.366 4.830 2.457 374 HG13 ILE 46 3HG1 ILE 46 1.714 4.278 2.711 375 HG21 ILE 46 1HG2 ILE 46 2.629 7.506 1.103 376 HG22 ILE 46 2HG2 ILE 46 3.838 7.351 2.379 377 HG23 ILE 46 3HG2 ILE 46 2.492 8.477 2.569 378 HD11 ILE 46 3HD1 ILE 46 2.782 5.633 0.244 379 HD12 ILE 46 1HD1 ILE 46 1.107 5.134 0.494 380 HD13 ILE 46 2HD1 ILE 46 2.387 3.924 0.424 381 H THR 47 H THR 47 3.545 8.275 5.385 382 HA THR 47 HA THR 47 1.235 9.879 6.274 383 HB THR 47 HB THR 47 4.118 9.975 7.208 384 HG1 THR 47 HG1 THR 47 1.941 9.160 8.810 385 HG21 THR 47 3HG2 THR 47 1.668 11.405 8.265 386 HG22 THR 47 1HG2 THR 47 3.041 12.155 7.448 387 HG23 THR 47 2HG2 THR 47 3.256 11.402 9.029 388 H GLY 48 H GLY 48 0.835 11.841 5.384 389 HA2 GLY 48 2HA GLY 48 1.493 14.022 4.710 390 HA3 GLY 48 3HA GLY 48 3.066 13.392 4.256 391 H VAL 49 H VAL 49 0.093 11.845 3.221 392 HA VAL 49 HA VAL 49 0.814 12.356 0.444 393 HB VAL 49 HB VAL 49 -1.088 10.774 -0.062 394 HG11 VAL 49 1HG1 VAL 49 1.116 9.763 1.744 395 HG12 VAL 49 2HG1 VAL 49 1.231 10.027 0.004 396 HG13 VAL 49 3HG1 VAL 49 0.157 8.779 0.634 397 HG21 VAL 49 3HG2 VAL 49 -1.978 9.414 1.760 398 HG22 VAL 49 1HG2 VAL 49 -2.362 11.115 2.018 399 HG23 VAL 49 2HG2 VAL 49 -1.064 10.356 2.939 400 HA PRO 50 HA PRO 50 -2.284 15.580 -0.002 401 HB2 PRO 50 2HB PRO 50 -1.906 15.328 -2.896 402 HB3 PRO 50 3HB PRO 50 -1.479 16.668 -1.830 403 HG2 PRO 50 2HG PRO 50 0.388 15.095 -3.000 404 HG3 PRO 50 3HG PRO 50 0.628 15.830 -1.402 405 HD2 PRO 50 2HD PRO 50 -0.197 13.018 -2.088 406 HD3 PRO 50 3HD PRO 50 0.980 13.585 -0.879 407 H GLU 51 H GLU 51 -4.461 15.712 -0.484 408 HA GLU 51 HA GLU 51 -6.015 13.430 -0.745 409 HB2 GLU 51 2HB GLU 51 -6.720 15.703 0.083 410 HB3 GLU 51 3HB GLU 51 -6.819 16.228 -1.589 411 HG2 GLU 51 2HG GLU 51 -8.404 13.886 -0.577 412 HG3 GLU 51 3HG GLU 51 -8.976 15.540 -0.385 413 H GLN 52 H GLN 52 -5.141 15.760 -3.291 414 HA GLN 52 HA GLN 52 -6.510 14.634 -5.433 415 HB2 GLN 52 2HB GLN 52 -4.930 15.839 -6.871 416 HB3 GLN 52 3HB GLN 52 -5.450 16.835 -5.518 417 HG2 GLN 52 2HG GLN 52 -3.343 16.296 -4.347 418 HG3 GLN 52 3HG GLN 52 -2.822 15.378 -5.757 419 HE21 GLN 52 1HE2 GLN 52 -2.298 16.491 -7.656 420 HE22 GLN 52 2HE2 GLN 52 -1.940 18.182 -7.641 421 H VAL 53 H VAL 53 -3.525 13.565 -3.945 422 HA VAL 53 HA VAL 53 -2.950 11.707 -6.143 423 HB VAL 53 HB VAL 53 -1.361 12.210 -3.608 424 HG11 VAL 53 1HG1 VAL 53 -0.597 10.759 -6.149 425 HG12 VAL 53 2HG1 VAL 53 -0.894 10.022 -4.574 426 HG13 VAL 53 3HG1 VAL 53 0.484 11.100 -4.796 427 HG21 VAL 53 3HG2 VAL 53 -0.935 13.316 -6.392 428 HG22 VAL 53 1HG2 VAL 53 0.136 13.555 -5.010 429 HG23 VAL 53 2HG2 VAL 53 -1.494 14.227 -4.989 430 H ARG 54 H ARG 54 -4.335 11.761 -2.971 431 HA ARG 54 HA ARG 54 -3.967 9.206 -1.981 432 HB2 ARG 54 2HB ARG 54 -5.190 11.037 -0.826 433 HB3 ARG 54 3HB ARG 54 -6.544 10.798 -1.919 434 HG2 ARG 54 2HG ARG 54 -6.400 8.318 -0.990 435 HG3 ARG 54 3HG ARG 54 -5.633 9.132 0.375 436 HD2 ARG 54 2HD ARG 54 -7.967 8.990 0.853 437 HD3 ARG 54 3HD ARG 54 -7.619 10.674 0.455 438 HE ARG 54 HE ARG 54 -8.829 8.770 -1.453 439 HH11 ARG 54 1HH1 ARG 54 -8.639 11.905 -0.053 440 HH12 ARG 54 2HH1 ARG 54 -9.848 12.561 -1.095 441 HH21 ARG 54 1HH2 ARG 54 -10.393 9.605 -2.759 442 HH22 ARG 54 2HH2 ARG 54 -10.842 11.270 -2.607 443 H LYS 55 H LYS 55 -6.523 10.289 -4.192 444 HA LYS 55 HA LYS 55 -7.894 7.904 -4.564 445 HB2 LYS 55 2HB LYS 55 -8.534 8.917 -6.808 446 HB3 LYS 55 3HB LYS 55 -8.859 9.904 -5.389 447 HG2 LYS 55 2HG LYS 55 -6.746 11.147 -5.831 448 HG3 LYS 55 3HG LYS 55 -6.566 10.229 -7.327 449 HD2 LYS 55 2HD LYS 55 -8.978 11.932 -6.677 450 HD3 LYS 55 3HD LYS 55 -7.587 12.512 -7.592 451 HE2 LYS 55 2HE LYS 55 -9.318 10.165 -8.370 452 HE3 LYS 55 3HE LYS 55 -9.466 11.793 -9.028 453 HZ1 LYS 55 3HZ LYS 55 -8.185 10.388 -10.493 454 HZ2 LYS 55 1HZ LYS 55 -7.084 10.039 -9.261 455 HZ3 LYS 55 2HZ LYS 55 -7.203 11.611 -9.868 456 H GLU 56 H GLU 56 -4.995 9.069 -6.237 457 HA GLU 56 HA GLU 56 -4.907 6.969 -8.163 458 HB2 GLU 56 2HB GLU 56 -2.720 8.832 -7.195 459 HB3 GLU 56 3HB GLU 56 -2.625 7.816 -8.629 460 HG2 GLU 56 2HG GLU 56 -4.491 9.040 -9.630 461 HG3 GLU 56 3HG GLU 56 -4.610 10.047 -8.189 462 H LEU 57 H LEU 57 -3.218 7.511 -5.079 463 HA LEU 57 HA LEU 57 -1.621 5.180 -5.141 464 HB2 LEU 57 2HB LEU 57 -2.655 6.731 -2.763 465 HB3 LEU 57 3HB LEU 57 -1.373 5.535 -2.705 466 HG LEU 57 HG LEU 57 -1.262 8.158 -4.216 467 HD11 LEU 57 1HD1 LEU 57 0.375 8.825 -2.537 468 HD12 LEU 57 2HD1 LEU 57 0.143 7.297 -1.686 469 HD13 LEU 57 3HD1 LEU 57 -1.180 8.457 -1.792 470 HD21 LEU 57 3HD2 LEU 57 0.856 6.037 -3.816 471 HD22 LEU 57 1HD2 LEU 57 1.098 7.604 -4.590 472 HD23 LEU 57 2HD2 LEU 57 0.032 6.411 -5.330 473 H ALA 58 H ALA 58 -4.838 5.762 -3.733 474 HA ALA 58 HA ALA 58 -5.187 3.219 -2.562 475 HB1 ALA 58 3HB ALA 58 -6.587 5.160 -2.004 476 HB2 ALA 58 1HB ALA 58 -7.561 3.767 -2.476 477 HB3 ALA 58 2HB ALA 58 -7.313 5.094 -3.610 478 H LYS 59 H LYS 59 -6.311 4.470 -5.708 479 HA LYS 59 HA LYS 59 -7.402 2.121 -6.737 480 HB2 LYS 59 2HB LYS 59 -7.580 4.421 -7.733 481 HB3 LYS 59 3HB LYS 59 -5.923 4.270 -8.291 482 HG2 LYS 59 2HG LYS 59 -8.105 2.365 -9.130 483 HG3 LYS 59 3HG LYS 59 -7.762 3.859 -9.992 484 HD2 LYS 59 2HD LYS 59 -5.855 1.550 -9.578 485 HD3 LYS 59 3HD LYS 59 -6.677 1.968 -11.079 486 HE2 LYS 59 2HE LYS 59 -4.743 3.791 -9.649 487 HE3 LYS 59 3HE LYS 59 -4.283 2.697 -10.951 488 HZ1 LYS 59 3HZ LYS 59 -6.263 4.906 -11.179 489 HZ2 LYS 59 1HZ LYS 59 -5.788 3.862 -12.423 490 HZ3 LYS 59 2HZ LYS 59 -4.673 4.942 -11.754 491 H GLU 60 H GLU 60 -4.066 3.340 -6.961 492 HA GLU 60 HA GLU 60 -3.005 1.312 -8.568 493 HB2 GLU 60 2HB GLU 60 -1.976 3.575 -7.816 494 HB3 GLU 60 3HB GLU 60 -1.395 2.683 -6.418 495 HG2 GLU 60 2HG GLU 60 0.365 2.764 -8.020 496 HG3 GLU 60 3HG GLU 60 -0.246 1.111 -7.984 497 H ALA 61 H ALA 61 -3.298 1.532 -5.033 498 HA ALA 61 HA ALA 61 -1.928 -0.802 -4.319 499 HB1 ALA 61 3HB ALA 61 -2.677 0.901 -2.703 500 HB2 ALA 61 1HB ALA 61 -3.175 -0.724 -2.232 501 HB3 ALA 61 2HB ALA 61 -4.345 0.384 -2.947 502 H GLU 62 H GLU 62 -5.390 -0.369 -5.086 503 HA GLU 62 HA GLU 62 -6.177 -3.053 -4.795 504 HB2 GLU 62 2HB GLU 62 -7.271 -0.893 -6.612 505 HB3 GLU 62 3HB GLU 62 -8.068 -2.431 -6.318 506 HG2 GLU 62 2HG GLU 62 -8.263 -1.875 -3.937 507 HG3 GLU 62 3HG GLU 62 -7.473 -0.328 -4.241 508 H ARG 63 H ARG 63 -4.907 -1.309 -7.616 509 HA ARG 63 HA ARG 63 -5.074 -3.439 -9.459 510 HB2 ARG 63 2HB ARG 63 -4.731 -1.186 -10.247 511 HB3 ARG 63 3HB ARG 63 -3.221 -1.050 -9.355 512 HG2 ARG 63 2HG ARG 63 -2.176 -2.693 -10.788 513 HG3 ARG 63 3HG ARG 63 -3.695 -2.964 -11.641 514 HD2 ARG 63 2HD ARG 63 -3.650 -0.748 -12.561 515 HD3 ARG 63 3HD ARG 63 -2.283 -0.296 -11.542 516 HE ARG 63 HE ARG 63 -1.040 -2.071 -12.842 517 HH11 ARG 63 1HH1 ARG 63 -3.660 -0.321 -14.244 518 HH12 ARG 63 2HH1 ARG 63 -3.024 -0.460 -15.843 519 HH21 ARG 63 1HH2 ARG 63 -0.272 -2.265 -14.884 520 HH22 ARG 63 2HH2 ARG 63 -1.138 -1.554 -16.201 521 H LEU 64 H LEU 64 -2.452 -2.438 -7.269 522 HA LEU 64 HA LEU 64 -0.512 -4.323 -7.963 523 HB2 LEU 64 2HB LEU 64 -1.166 -3.040 -5.305 524 HB3 LEU 64 3HB LEU 64 0.231 -4.075 -5.535 525 HG LEU 64 HG LEU 64 -0.250 -1.501 -7.053 526 HD11 LEU 64 1HD1 LEU 64 1.596 -2.042 -4.721 527 HD12 LEU 64 2HD1 LEU 64 0.125 -1.070 -4.669 528 HD13 LEU 64 3HD1 LEU 64 1.494 -0.541 -5.644 529 HD21 LEU 64 3HD2 LEU 64 2.095 -1.767 -7.724 530 HD22 LEU 64 1HD2 LEU 64 1.101 -3.115 -8.279 531 HD23 LEU 64 2HD2 LEU 64 2.158 -3.315 -6.880 532 H ALA 65 H ALA 65 -3.083 -4.565 -5.510 533 HA ALA 65 HA ALA 65 -2.611 -7.130 -4.577 534 HB1 ALA 65 3HB ALA 65 -4.267 -5.593 -3.611 535 HB2 ALA 65 1HB ALA 65 -4.952 -7.188 -3.924 536 HB3 ALA 65 2HB ALA 65 -5.308 -5.846 -5.012 537 H LYS 66 H LYS 66 -4.846 -6.224 -7.218 538 HA LYS 66 HA LYS 66 -5.464 -8.838 -8.029 539 HB2 LYS 66 2HB LYS 66 -5.522 -6.200 -9.498 540 HB3 LYS 66 3HB LYS 66 -6.074 -7.700 -10.234 541 HG2 LYS 66 2HG LYS 66 -7.191 -6.499 -7.699 542 HG3 LYS 66 3HG LYS 66 -7.920 -6.380 -9.303 543 HD2 LYS 66 2HD LYS 66 -8.160 -8.805 -9.398 544 HD3 LYS 66 3HD LYS 66 -7.379 -8.963 -7.825 545 HE2 LYS 66 2HE LYS 66 -9.223 -7.721 -6.788 546 HE3 LYS 66 3HE LYS 66 -9.998 -7.552 -8.366 547 HZ1 LYS 66 3HZ LYS 66 -10.332 -9.881 -8.490 548 HZ2 LYS 66 1HZ LYS 66 -10.864 -9.404 -6.957 549 HZ3 LYS 66 2HZ LYS 66 -9.367 -10.179 -7.136 550 H GLU 67 H GLU 67 -2.776 -6.739 -8.948 551 HA GLU 67 HA GLU 67 -1.826 -8.198 -11.157 552 HB2 GLU 67 2HB GLU 67 -1.083 -5.910 -10.594 553 HB3 GLU 67 3HB GLU 67 -0.255 -6.530 -9.174 554 HG2 GLU 67 2HG GLU 67 1.377 -6.152 -10.862 555 HG3 GLU 67 3HG GLU 67 1.186 -7.895 -10.688 556 H PHE 68 H PHE 68 -0.963 -8.420 -7.706 557 HA PHE 68 HA PHE 68 0.698 -10.767 -8.242 558 HB2 PHE 68 2HB PHE 68 0.210 -9.227 -5.681 559 HB3 PHE 68 3HB PHE 68 1.329 -10.576 -5.849 560 HD1 PHE 68 HD1 PHE 68 3.265 -10.332 -7.482 561 HD2 PHE 68 HD2 PHE 68 0.884 -7.037 -6.201 562 HE1 PHE 68 HE1 PHE 68 5.043 -8.779 -8.176 563 HE2 PHE 68 HE2 PHE 68 2.658 -5.483 -6.897 564 HZ PHE 68 HZ PHE 68 4.739 -6.353 -7.887 565 H ASN 69 H ASN 69 -2.471 -10.418 -7.990 566 HA ASN 69 HA ASN 69 -4.242 -11.732 -7.448 567 HB2 ASN 69 2HB ASN 69 -2.730 -13.380 -8.692 568 HB3 ASN 69 3HB ASN 69 -2.261 -13.998 -7.114 569 HD21 ASN 69 1HD2 ASN 69 -3.692 -15.283 -5.987 570 HD22 ASN 69 2HD2 ASN 69 -5.181 -15.847 -6.653 571 H ILE 70 H ILE 70 -2.938 -10.298 -5.328 572 HA ILE 70 HA ILE 70 -3.444 -12.042 -2.996 573 HB ILE 70 HB ILE 70 -2.068 -10.463 -1.680 574 HG12 ILE 70 2HG1 ILE 70 -1.562 -9.149 -4.370 575 HG13 ILE 70 3HG1 ILE 70 -2.378 -8.425 -2.989 576 HG21 ILE 70 1HG2 ILE 70 0.096 -11.151 -2.559 577 HG22 ILE 70 2HG2 ILE 70 -0.642 -11.547 -4.111 578 HG23 ILE 70 3HG2 ILE 70 -1.066 -12.473 -2.670 579 HD11 ILE 70 3HD1 ILE 70 -0.126 -7.578 -3.188 580 HD12 ILE 70 1HD1 ILE 70 0.523 -9.215 -3.125 581 HD13 ILE 70 2HD1 ILE 70 -0.284 -8.532 -1.713 582 H THR 71 H THR 71 -4.334 -10.899 -1.060 583 HA THR 71 HA THR 71 -6.589 -9.206 -1.867 584 HB THR 71 HB THR 71 -6.065 -10.577 0.787 585 HG1 THR 71 HG1 THR 71 -7.873 -11.941 -0.093 586 HG21 THR 71 3HG2 THR 71 -7.572 -8.659 0.997 587 HG22 THR 71 1HG2 THR 71 -8.449 -10.175 1.218 588 HG23 THR 71 2HG2 THR 71 -8.576 -9.296 -0.306 589 H VAL 72 H VAL 72 -6.824 -7.094 -1.220 590 HA VAL 72 HA VAL 72 -4.818 -6.018 0.669 591 HB VAL 72 HB VAL 72 -4.362 -5.304 -1.667 592 HG11 VAL 72 1HG1 VAL 72 -7.019 -3.875 -1.471 593 HG12 VAL 72 2HG1 VAL 72 -6.664 -5.260 -2.504 594 HG13 VAL 72 3HG1 VAL 72 -5.851 -3.721 -2.784 595 HG21 VAL 72 3HG2 VAL 72 -4.140 -2.901 -1.186 596 HG22 VAL 72 1HG2 VAL 72 -3.644 -3.898 0.182 597 HG23 VAL 72 2HG2 VAL 72 -5.211 -3.087 0.205 598 H THR 73 H THR 73 -5.534 -4.825 2.328 599 HA THR 73 HA THR 73 -8.242 -3.650 2.212 600 HB THR 73 HB THR 73 -8.428 -4.007 4.689 601 HG1 THR 73 HG1 THR 73 -6.381 -5.949 4.454 602 HG21 THR 73 3HG2 THR 73 -9.582 -5.526 3.162 603 HG22 THR 73 1HG2 THR 73 -8.992 -6.401 4.575 604 HG23 THR 73 2HG2 THR 73 -8.133 -6.526 3.038 605 H TYR 74 H TYR 74 -8.445 -1.553 3.100 606 HA TYR 74 HA TYR 74 -5.977 -0.322 4.099 607 HB2 TYR 74 2HB TYR 74 -6.086 1.516 2.513 608 HB3 TYR 74 3HB TYR 74 -5.954 -0.014 1.661 609 HD1 TYR 74 HD2 TYR 74 -7.885 -0.905 0.394 610 HD2 TYR 74 HD1 TYR 74 -8.047 2.905 2.290 611 HE1 TYR 74 HE2 TYR 74 -9.850 -0.317 -0.967 612 HE2 TYR 74 HE1 TYR 74 -10.008 3.503 0.936 613 HH TYR 74 HH TYR 74 -11.060 2.893 -1.149 614 H THR 75 H THR 75 -6.260 1.837 4.989 615 HA THR 75 HA THR 75 -8.964 2.720 5.636 616 HB THR 75 HB THR 75 -6.973 2.046 7.832 617 HG1 THR 75 HG1 THR 75 -9.039 0.632 6.682 618 HG21 THR 75 3HG2 THR 75 -8.293 4.044 8.359 619 HG22 THR 75 1HG2 THR 75 -8.774 2.687 9.378 620 HG23 THR 75 2HG2 THR 75 -9.780 3.164 8.010 621 H ILE 76 H ILE 76 -8.859 4.829 5.046 622 HA ILE 76 HA ILE 76 -6.293 6.249 5.383 623 HB ILE 76 HB ILE 76 -8.584 6.919 3.521 624 HG12 ILE 76 2HG1 ILE 76 -5.908 5.592 2.968 625 HG13 ILE 76 3HG1 ILE 76 -7.481 4.805 2.910 626 HG21 ILE 76 1HG2 ILE 76 -5.789 8.064 3.700 627 HG22 ILE 76 2HG2 ILE 76 -7.278 8.885 4.168 628 HG23 ILE 76 3HG2 ILE 76 -6.993 8.474 2.478 629 HD11 ILE 76 3HD1 ILE 76 -8.121 6.232 1.037 630 HD12 ILE 76 1HD1 ILE 76 -6.661 5.306 0.690 631 HD13 ILE 76 2HD1 ILE 76 -6.542 7.016 1.101 632 H ARG 77 H ARG 77 -6.130 7.918 6.738 633 HA ARG 77 HA ARG 77 -8.584 9.019 7.957 634 HB2 ARG 77 2HB ARG 77 -5.755 9.094 9.041 635 HB3 ARG 77 3HB ARG 77 -7.219 9.581 9.887 636 HG2 ARG 77 2HG ARG 77 -8.017 7.235 9.775 637 HG3 ARG 77 3HG ARG 77 -6.484 6.782 9.029 638 HD2 ARG 77 2HD ARG 77 -5.308 7.646 11.047 639 HD3 ARG 77 3HD ARG 77 -6.880 7.943 11.793 640 HE ARG 77 HE ARG 77 -5.937 5.259 10.993 641 HH11 ARG 77 1HH1 ARG 77 -7.543 7.344 13.234 642 HH12 ARG 77 2HH1 ARG 77 -7.944 6.048 14.307 643 HH21 ARG 77 1HH2 ARG 77 -6.447 3.626 12.374 644 HH22 ARG 77 2HH2 ARG 77 -7.341 3.963 13.819 645 H LEU 78 H LEU 78 -9.160 10.978 7.244 646 HA LEU 78 HA LEU 78 -7.048 12.869 6.394 647 HB2 LEU 78 2HB LEU 78 -8.602 11.942 4.601 648 HB3 LEU 78 3HB LEU 78 -9.899 12.822 5.382 649 HG LEU 78 HG LEU 78 -7.428 14.209 4.328 650 HD11 LEU 78 1HD1 LEU 78 -8.695 14.745 2.308 651 HD12 LEU 78 2HD1 LEU 78 -10.023 13.723 2.861 652 HD13 LEU 78 3HD1 LEU 78 -8.458 13.006 2.474 653 HD21 LEU 78 3HD2 LEU 78 -10.205 15.202 4.994 654 HD22 LEU 78 1HD2 LEU 78 -8.930 16.174 4.257 655 HD23 LEU 78 2HD2 LEU 78 -8.723 15.538 5.887 656 H GLU 79 H GLU 79 -6.903 14.700 7.543 657 HA GLU 79 HA GLU 79 -8.630 15.177 9.772 658 HB2 GLU 79 2HB GLU 79 -6.486 16.973 8.605 659 HB3 GLU 79 3HB GLU 79 -7.237 17.159 10.181 660 HG2 GLU 79 2HG GLU 79 -5.117 16.185 10.544 661 HG3 GLU 79 3HG GLU 79 -6.307 14.910 10.796 662 H HIS 80 H HIS 80 -10.712 15.702 9.198 663 HA HIS 80 HA HIS 80 -11.246 17.534 7.027 664 HB2 HIS 80 2HB HIS 80 -13.660 17.131 7.647 665 HB3 HIS 80 3HB HIS 80 -12.747 15.701 7.191 666 HD1 HIS 80 HD1 HIS 80 -12.778 13.792 8.796 667 HD2 HIS 80 HD2 HIS 80 -14.092 17.328 10.547 668 HE1 HIS 80 HE1 HIS 80 -13.607 13.149 11.075 669 HE2 HIS 80 HE2 HIS 80 -14.400 15.295 12.115 670 H HIS 81 H HIS 81 -12.897 19.298 7.316 671 HA HIS 81 HA HIS 81 -13.505 21.328 8.106 672 HB2 HIS 81 2HB HIS 81 -12.791 20.133 10.787 673 HB3 HIS 81 3HB HIS 81 -13.476 21.744 10.600 674 HD1 HIS 81 HD1 HIS 81 -14.787 19.208 12.058 675 HD2 HIS 81 HD2 HIS 81 -15.785 20.745 8.328 676 HE1 HIS 81 HE1 HIS 81 -17.164 18.508 11.655 677 HE2 HIS 81 HE2 HIS 81 -17.801 19.625 9.496 678 H HIS 82 H HIS 82 -10.465 20.477 7.717 679 HA HIS 82 HA HIS 82 -9.062 22.468 9.218 680 HB2 HIS 82 2HB HIS 82 -8.312 20.535 7.069 681 HB3 HIS 82 3HB HIS 82 -7.231 21.887 7.396 682 HD1 HIS 82 HD1 HIS 82 -5.365 20.816 8.626 683 HD2 HIS 82 HD2 HIS 82 -9.070 19.686 10.123 684 HE1 HIS 82 HE1 HIS 82 -4.874 19.495 10.697 685 HE2 HIS 82 HE2 HIS 82 -7.130 19.023 11.695 686 H HIS 83 H HIS 83 -9.719 24.496 8.885 687 HA HIS 83 HA HIS 83 -8.737 25.905 6.628 688 HB2 HIS 83 2HB HIS 83 -10.788 26.721 5.646 689 HB3 HIS 83 3HB HIS 83 -10.843 24.960 5.631 690 HD1 HIS 83 HD1 HIS 83 -11.979 24.223 8.260 691 HD2 HIS 83 HD2 HIS 83 -13.300 27.565 6.188 692 HE1 HIS 83 HE1 HIS 83 -14.264 24.708 9.166 693 HE2 HIS 83 HE2 HIS 83 -15.111 26.623 7.768 694 H HIS 84 H HIS 84 -8.553 28.099 7.080 695 HA HIS 84 HA HIS 84 -8.825 28.838 9.821 696 HB2 HIS 84 2HB HIS 84 -8.132 30.543 7.413 697 HB3 HIS 84 3HB HIS 84 -7.973 31.050 9.093 698 HD1 HIS 84 HD1 HIS 84 -5.933 30.238 10.376 699 HD2 HIS 84 HD2 HIS 84 -6.242 28.567 6.584 700 HE1 HIS 84 HE1 HIS 84 -3.763 29.042 9.988 701 HE2 HIS 84 HE2 HIS 84 -4.059 27.876 7.781 702 H HIS 85 H HIS 85 -10.911 28.818 10.468 703 HA HIS 85 HA HIS 85 -13.038 30.029 8.928 704 HB2 HIS 85 2HB HIS 85 -14.468 29.299 10.870 705 HB3 HIS 85 3HB HIS 85 -13.576 28.008 10.075 706 HD1 HIS 85 HD1 HIS 85 -13.285 30.211 13.162 707 HD2 HIS 85 HD2 HIS 85 -12.082 26.483 11.776 708 HE1 HIS 85 HE1 HIS 85 -12.208 29.084 15.121 709 HE2 HIS 85 HE2 HIS 85 -11.332 26.915 14.213
Contact the webmaster for help, if required. Saturday, April 27, 2024 9:41:06 PM GMT (wattos1)