NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473117 | 2b7e | 6850 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1H GLY 1 -11.263 -8.085 5.737 2 2H GLY 1 2H GLY 1 -12.533 -8.495 6.782 3 3H GLY 1 3H GLY 1 -10.975 -8.253 7.400 4 1HA GLY 1 1HA GLY 1 -12.667 -6.171 6.135 5 2HA GLY 1 2HA GLY 1 -12.394 -6.353 7.864 6 H ALA 2 H ALA 2 -11.790 -3.966 6.745 7 HA ALA 2 HA ALA 2 -8.957 -3.973 6.054 8 1HB ALA 2 1HB ALA 2 -9.267 -1.614 5.548 9 2HB ALA 2 2HB ALA 2 -10.907 -1.677 6.196 10 3HB ALA 2 3HB ALA 2 -10.498 -2.588 4.743 11 H MET 3 H MET 3 -8.897 -4.882 8.455 12 HA MET 3 HA MET 3 -8.415 -2.574 10.223 13 1HB MET 3 1HB MET 3 -9.020 -5.446 10.949 14 2HB MET 3 2HB MET 3 -8.612 -4.187 12.107 15 1HG MET 3 1HG MET 3 -10.612 -2.947 11.462 16 2HG MET 3 2HG MET 3 -11.015 -4.205 10.293 17 1HE MET 3 1HE MET 3 -11.708 -6.689 10.968 18 2HE MET 3 2HE MET 3 -11.722 -7.275 12.632 19 3HE MET 3 3HE MET 3 -10.194 -6.848 11.862 20 H GLU 4 H GLU 4 -7.276 -5.925 10.437 21 HA GLU 4 HA GLU 4 -4.702 -5.245 11.301 22 1HB GLU 4 1HB GLU 4 -5.461 -7.752 9.882 23 2HB GLU 4 2HB GLU 4 -4.169 -7.537 11.053 24 1HG GLU 4 1HG GLU 4 -5.617 -8.292 12.535 25 2HG GLU 4 2HG GLU 4 -6.374 -6.714 12.430 26 H ALA 5 H ALA 5 -5.933 -6.215 8.167 27 HA ALA 5 HA ALA 5 -3.556 -6.269 6.722 28 1HB ALA 5 1HB ALA 5 -6.336 -5.624 5.757 29 2HB ALA 5 2HB ALA 5 -5.647 -7.239 5.933 30 3HB ALA 5 3HB ALA 5 -4.977 -6.120 4.748 31 H GLU 6 H GLU 6 -5.884 -3.622 7.171 32 HA GLU 6 HA GLU 6 -4.623 -1.785 5.447 33 1HB GLU 6 1HB GLU 6 -6.955 -1.583 6.313 34 2HB GLU 6 2HB GLU 6 -6.289 -1.169 7.883 35 1HG GLU 6 1HG GLU 6 -5.171 0.771 6.850 36 2HG GLU 6 2HG GLU 6 -5.976 0.384 5.337 37 H LYS 7 H LYS 7 -4.455 -2.234 8.942 38 HA LYS 7 HA LYS 7 -2.803 -0.145 9.650 39 1HB LYS 7 1HB LYS 7 -3.932 -1.719 11.207 40 2HB LYS 7 2HB LYS 7 -2.709 -2.921 10.819 41 1HG LYS 7 1HG LYS 7 -0.981 -1.523 11.742 42 2HG LYS 7 2HG LYS 7 -2.148 -0.229 12.024 43 1HD LYS 7 1HD LYS 7 -2.081 -2.936 13.343 44 2HD LYS 7 2HD LYS 7 -1.761 -1.372 14.099 45 1HE LYS 7 1HE LYS 7 -4.106 -0.720 13.459 46 2HE LYS 7 2HE LYS 7 -4.370 -2.404 13.016 47 1HZ LYS 7 1HZ LYS 7 -3.722 -1.342 15.704 48 2HZ LYS 7 2HZ LYS 7 -3.698 -2.993 15.325 49 3HZ LYS 7 3HZ LYS 7 -5.150 -2.117 15.218 50 H GLU 8 H GLU 8 -1.771 -3.463 8.823 51 HA GLU 8 HA GLU 8 0.992 -2.893 8.850 52 1HB GLU 8 1HB GLU 8 -0.662 -5.098 7.681 53 2HB GLU 8 2HB GLU 8 1.060 -5.003 7.334 54 1HG GLU 8 1HG GLU 8 -0.130 -5.111 10.092 55 2HG GLU 8 2HG GLU 8 0.517 -6.499 9.217 56 H PHE 9 H PHE 9 -1.433 -2.745 6.347 57 HA PHE 9 HA PHE 9 0.244 -2.445 4.107 58 1HB PHE 9 1HB PHE 9 -2.280 -2.881 4.204 59 2HB PHE 9 2HB PHE 9 -2.474 -1.148 4.437 60 HD1 PHE 9 HD1 PHE 9 -1.847 0.401 2.610 61 HD2 PHE 9 HD2 PHE 9 -1.767 -3.817 2.097 62 HE1 PHE 9 HE1 PHE 9 -1.854 0.702 0.171 63 HE2 PHE 9 HE2 PHE 9 -1.767 -3.523 -0.344 64 HZ PHE 9 HZ PHE 9 -1.827 -1.259 -1.314 65 H ILE 10 H ILE 10 -1.051 -0.058 6.414 66 HA ILE 10 HA ILE 10 -0.023 2.222 5.055 67 HB ILE 10 HB ILE 10 -0.687 1.807 7.974 68 1HG1 ILE 10 1HG1 ILE 10 -2.554 1.615 6.296 69 2HG1 ILE 10 2HG1 ILE 10 -2.758 2.876 7.501 70 1HG2 ILE 10 1HG2 ILE 10 -0.722 4.265 8.145 71 2HG2 ILE 10 2HG2 ILE 10 -0.084 4.368 6.496 72 3HG2 ILE 10 3HG2 ILE 10 0.888 3.631 7.780 73 1HD1 ILE 10 1HD1 ILE 10 -1.826 3.284 4.672 74 2HD1 ILE 10 2HD1 ILE 10 -2.043 4.551 5.878 75 3HD1 ILE 10 3HD1 ILE 10 -3.437 3.638 5.298 76 H THR 11 H THR 11 1.254 0.059 7.511 77 HA THR 11 HA THR 11 3.557 1.596 8.091 78 HB THR 11 HB THR 11 3.207 -1.378 8.495 79 HG1 THR 11 HG1 THR 11 2.029 -0.898 10.244 80 1HG2 THR 11 1HG2 THR 11 4.770 -1.041 10.363 81 2HG2 THR 11 2HG2 THR 11 4.923 0.659 9.922 82 3HG2 THR 11 3HG2 THR 11 5.501 -0.593 8.822 83 H MET 12 H MET 12 2.982 -1.079 5.885 84 HA MET 12 HA MET 12 5.683 -1.412 5.098 85 1HB MET 12 1HB MET 12 4.721 -2.736 3.220 86 2HB MET 12 2HB MET 12 4.125 -3.239 4.789 87 1HG MET 12 1HG MET 12 2.088 -1.920 4.409 88 2HG MET 12 2HG MET 12 2.688 -1.537 2.804 89 1HE MET 12 1HE MET 12 2.546 -4.866 0.919 90 2HE MET 12 2HE MET 12 3.911 -4.003 1.627 91 3HE MET 12 3HE MET 12 2.644 -3.109 0.788 92 H LEU 13 H LEU 13 3.073 0.668 4.188 93 HA LEU 13 HA LEU 13 4.141 1.446 1.708 94 1HB LEU 13 1HB LEU 13 1.970 2.367 3.469 95 2HB LEU 13 2HB LEU 13 2.655 3.601 2.430 96 HG LEU 13 HG LEU 13 0.584 2.298 1.601 97 1HD1 LEU 13 1HD1 LEU 13 1.385 2.387 -0.713 98 2HD1 LEU 13 2HD1 LEU 13 3.036 2.572 -0.125 99 3HD1 LEU 13 3HD1 LEU 13 1.837 3.823 0.203 100 1HD2 LEU 13 1HD2 LEU 13 1.083 0.250 0.368 101 2HD2 LEU 13 2HD2 LEU 13 1.395 0.049 2.092 102 3HD2 LEU 13 3HD2 LEU 13 2.739 0.280 0.973 103 H LYS 14 H LYS 14 4.468 2.712 4.992 104 HA LYS 14 HA LYS 14 6.167 4.884 4.273 105 1HB LYS 14 1HB LYS 14 5.461 3.511 6.820 106 2HB LYS 14 2HB LYS 14 6.906 4.522 6.806 107 1HG LYS 14 1HG LYS 14 5.324 5.989 7.507 108 2HG LYS 14 2HG LYS 14 5.178 6.222 5.758 109 1HD LYS 14 1HD LYS 14 3.322 4.791 5.631 110 2HD LYS 14 2HD LYS 14 3.586 4.178 7.256 111 1HE LYS 14 1HE LYS 14 1.715 5.743 7.189 112 2HE LYS 14 2HE LYS 14 3.051 6.295 8.196 113 1HZ LYS 14 1HZ LYS 14 2.706 7.182 5.394 114 2HZ LYS 14 2HZ LYS 14 3.691 7.872 6.583 115 3HZ LYS 14 3HZ LYS 14 2.002 8.013 6.690 116 H GLU 15 H GLU 15 6.738 1.554 5.301 117 HA GLU 15 HA GLU 15 9.522 1.778 5.552 118 1HB GLU 15 1HB GLU 15 7.615 -0.495 5.324 119 2HB GLU 15 2HB GLU 15 9.333 -0.752 5.488 120 1HG GLU 15 1HG GLU 15 9.252 0.585 7.557 121 2HG GLU 15 2HG GLU 15 7.504 0.641 7.399 122 H ASN 16 H ASN 16 7.425 1.032 2.858 123 HA ASN 16 HA ASN 16 9.654 0.297 1.151 124 1HB ASN 16 1HB ASN 16 6.690 0.579 0.691 125 2HB ASN 16 2HB ASN 16 7.806 0.396 -0.656 126 1HD2 ASN 16 1HD2 ASN 16 8.196 -1.143 2.476 127 2HD2 ASN 16 2HD2 ASN 16 7.941 -2.761 1.921 128 H GLN 17 H GLN 17 8.879 3.050 2.467 129 HA GLN 17 HA GLN 17 9.351 5.204 2.103 130 1HB GLN 17 1HB GLN 17 11.068 3.777 0.176 131 2HB GLN 17 2HB GLN 17 11.020 5.538 0.107 132 1HG GLN 17 1HG GLN 17 11.609 3.923 2.568 133 2HG GLN 17 2HG GLN 17 12.845 4.632 1.527 134 1HE2 GLN 17 1HE2 GLN 17 10.387 5.219 3.897 135 2HE2 GLN 17 2HE2 GLN 17 10.787 6.874 4.209 136 H VAL 18 H VAL 18 6.962 4.176 0.882 137 HA VAL 18 HA VAL 18 6.675 5.358 -1.722 138 HB VAL 18 HB VAL 18 4.511 4.412 0.166 139 1HG1 VAL 18 1HG1 VAL 18 3.174 4.146 -1.884 140 2HG1 VAL 18 2HG1 VAL 18 4.497 4.860 -2.817 141 3HG1 VAL 18 3HG1 VAL 18 3.649 5.828 -1.599 142 1HG2 VAL 18 1HG2 VAL 18 4.577 2.300 -1.081 143 2HG2 VAL 18 2HG2 VAL 18 6.095 2.621 -0.241 144 3HG2 VAL 18 3HG2 VAL 18 5.977 2.889 -1.981 145 H ASP 19 H ASP 19 5.777 7.290 -2.257 146 HA ASP 19 HA ASP 19 4.190 8.751 -0.352 147 1HB ASP 19 1HB ASP 19 5.451 10.840 -0.470 148 2HB ASP 19 2HB ASP 19 6.433 9.568 0.234 149 H SER 20 H SER 20 4.334 11.223 -1.814 150 HA SER 20 HA SER 20 2.283 10.745 -3.644 151 1HB SER 20 1HB SER 20 4.058 13.145 -3.484 152 2HB SER 20 2HB SER 20 2.447 13.087 -4.183 153 HG SER 20 HG SER 20 1.815 13.601 -2.243 154 H THR 21 H THR 21 5.737 10.760 -4.094 155 HA THR 21 HA THR 21 5.543 11.024 -6.978 156 HB THR 21 HB THR 21 8.018 10.682 -6.932 157 HG1 THR 21 HG1 THR 21 7.596 10.652 -4.095 158 1HG2 THR 21 1HG2 THR 21 7.032 12.921 -6.850 159 2HG2 THR 21 2HG2 THR 21 8.526 12.844 -5.916 160 3HG2 THR 21 3HG2 THR 21 6.968 12.830 -5.090 161 H TRP 22 H TRP 22 4.052 8.901 -6.251 162 HA TRP 22 HA TRP 22 5.530 6.591 -7.309 163 1HB TRP 22 1HB TRP 22 4.153 6.821 -4.695 164 2HB TRP 22 2HB TRP 22 3.930 5.327 -5.579 165 HD1 TRP 22 HD1 TRP 22 7.067 7.467 -4.618 166 HE1 TRP 22 HE1 TRP 22 8.848 5.828 -3.723 167 HE3 TRP 22 HE3 TRP 22 4.494 3.120 -5.144 168 HZ2 TRP 22 HZ2 TRP 22 9.067 3.011 -3.303 169 HZ3 TRP 22 HZ3 TRP 22 5.506 1.019 -4.463 170 HH2 TRP 22 HH2 TRP 22 7.743 0.966 -3.579 171 H SER 23 H SER 23 4.298 5.257 -8.610 172 HA SER 23 HA SER 23 1.456 5.944 -8.961 173 1HB SER 23 1HB SER 23 1.613 4.705 -11.077 174 2HB SER 23 2HB SER 23 2.884 5.927 -11.005 175 HG SER 23 HG SER 23 4.307 4.396 -11.128 176 H PHE 24 H PHE 24 0.039 3.900 -9.409 177 HA PHE 24 HA PHE 24 0.518 2.040 -7.225 178 1HB PHE 24 1HB PHE 24 -1.689 3.063 -7.854 179 2HB PHE 24 2HB PHE 24 -1.661 2.115 -9.325 180 HD1 PHE 24 HD1 PHE 24 -2.519 -0.040 -9.368 181 HD2 PHE 24 HD2 PHE 24 -1.716 1.834 -5.637 182 HE1 PHE 24 HE1 PHE 24 -3.693 -1.860 -8.206 183 HE2 PHE 24 HE2 PHE 24 -2.875 0.013 -4.469 184 HZ PHE 24 HZ PHE 24 -3.873 -1.824 -5.754 185 H SER 25 H SER 25 1.918 2.286 -9.983 186 HA SER 25 HA SER 25 1.881 -0.508 -10.803 187 1HB SER 25 1HB SER 25 2.027 1.269 -12.544 188 2HB SER 25 2HB SER 25 3.543 1.820 -11.834 189 HG SER 25 HG SER 25 3.238 0.005 -13.685 190 H ARG 26 H ARG 26 3.896 1.939 -9.349 191 HA ARG 26 HA ARG 26 6.168 0.352 -8.852 192 1HB ARG 26 1HB ARG 26 5.761 2.955 -8.696 193 2HB ARG 26 2HB ARG 26 5.348 2.574 -7.038 194 1HG ARG 26 1HG ARG 26 7.508 1.769 -6.589 195 2HG ARG 26 2HG ARG 26 7.931 1.770 -8.299 196 1HD ARG 26 1HD ARG 26 7.270 4.320 -8.089 197 2HD ARG 26 2HD ARG 26 7.667 4.028 -6.407 198 HE ARG 26 HE ARG 26 9.732 3.043 -8.075 199 1HH1 ARG 26 1HH1 ARG 26 8.398 6.014 -6.786 200 2HH1 ARG 26 2HH1 ARG 26 9.875 6.906 -6.955 201 1HH2 ARG 26 1HH2 ARG 26 11.669 4.214 -8.345 202 2HH2 ARG 26 2HH2 ARG 26 11.738 5.892 -7.873 203 H ILE 27 H ILE 27 3.174 0.927 -7.112 204 HA ILE 27 HA ILE 27 3.837 -0.435 -4.734 205 HB ILE 27 HB ILE 27 1.191 0.022 -6.119 206 1HG1 ILE 27 1HG1 ILE 27 2.521 1.211 -3.679 207 2HG1 ILE 27 2HG1 ILE 27 2.246 2.006 -5.224 208 1HG2 ILE 27 1HG2 ILE 27 1.654 -1.248 -3.423 209 2HG2 ILE 27 2HG2 ILE 27 0.982 -2.040 -4.849 210 3HG2 ILE 27 3HG2 ILE 27 0.091 -0.739 -4.059 211 1HD1 ILE 27 1HD1 ILE 27 0.670 2.751 -3.534 212 2HD1 ILE 27 2HD1 ILE 27 0.107 1.092 -3.318 213 3HD1 ILE 27 3HD1 ILE 27 -0.148 1.920 -4.855 214 H ILE 28 H ILE 28 2.084 -1.634 -7.658 215 HA ILE 28 HA ILE 28 2.038 -4.319 -6.785 216 HB ILE 28 HB ILE 28 2.020 -3.283 -9.634 217 1HG1 ILE 28 1HG1 ILE 28 -0.254 -3.967 -7.759 218 2HG1 ILE 28 2HG1 ILE 28 0.241 -2.339 -8.205 219 1HG2 ILE 28 1HG2 ILE 28 2.536 -5.690 -9.473 220 2HG2 ILE 28 2HG2 ILE 28 0.967 -5.387 -10.218 221 3HG2 ILE 28 3HG2 ILE 28 1.056 -5.928 -8.543 222 1HD1 ILE 28 1HD1 ILE 28 -0.859 -4.427 -10.076 223 2HD1 ILE 28 2HD1 ILE 28 -0.361 -2.795 -10.527 224 3HD1 ILE 28 3HD1 ILE 28 -1.727 -3.031 -9.436 225 H SER 29 H SER 29 4.587 -2.494 -8.405 226 HA SER 29 HA SER 29 6.008 -4.895 -9.182 227 1HB SER 29 1HB SER 29 7.611 -3.386 -10.210 228 2HB SER 29 2HB SER 29 5.978 -2.867 -10.617 229 HG SER 29 HG SER 29 7.719 -1.742 -8.686 230 H GLU 30 H GLU 30 6.332 -2.395 -6.699 231 HA GLU 30 HA GLU 30 8.886 -3.580 -5.850 232 1HB GLU 30 1HB GLU 30 7.547 -0.985 -5.052 233 2HB GLU 30 2HB GLU 30 9.121 -1.526 -4.490 234 1HG GLU 30 1HG GLU 30 8.475 -1.060 -7.381 235 2HG GLU 30 2HG GLU 30 9.115 0.190 -6.317 236 H LEU 31 H LEU 31 5.617 -2.920 -4.738 237 HA LEU 31 HA LEU 31 6.269 -3.667 -2.007 238 1HB LEU 31 1HB LEU 31 3.731 -2.737 -3.338 239 2HB LEU 31 2HB LEU 31 3.749 -3.316 -1.688 240 HG LEU 31 HG LEU 31 5.135 -1.493 -0.991 241 1HD1 LEU 31 1HD1 LEU 31 5.400 -0.868 -3.883 242 2HD1 LEU 31 2HD1 LEU 31 6.668 -1.222 -2.714 243 3HD1 LEU 31 3HD1 LEU 31 5.768 0.289 -2.605 244 1HD2 LEU 31 1HD2 LEU 31 2.773 -1.021 -1.112 245 2HD2 LEU 31 2HD2 LEU 31 2.948 -0.512 -2.793 246 3HD2 LEU 31 3HD2 LEU 31 3.713 0.419 -1.504 247 H GLY 32 H GLY 32 5.204 -5.108 -4.861 248 1HA GLY 32 1HA GLY 32 3.839 -7.329 -3.642 249 2HA GLY 32 2HA GLY 32 4.282 -7.171 -5.334 250 H THR 33 H THR 33 7.044 -6.469 -3.746 251 HA THR 33 HA THR 33 7.915 -9.272 -3.693 252 HB THR 33 HB THR 33 10.055 -8.550 -4.718 253 HG1 THR 33 HG1 THR 33 10.099 -6.355 -4.482 254 1HG2 THR 33 1HG2 THR 33 9.198 -8.445 -7.015 255 2HG2 THR 33 2HG2 THR 33 7.581 -8.104 -6.392 256 3HG2 THR 33 3HG2 THR 33 8.345 -9.663 -6.060 257 H ARG 34 H ARG 34 8.517 -5.984 -2.554 258 HA ARG 34 HA ARG 34 10.805 -6.427 -1.080 259 1HB ARG 34 1HB ARG 34 8.594 -4.477 -0.780 260 2HB ARG 34 2HB ARG 34 9.945 -4.488 0.347 261 1HG ARG 34 1HG ARG 34 11.491 -4.174 -1.484 262 2HG ARG 34 2HG ARG 34 10.159 -4.242 -2.639 263 1HD ARG 34 1HD ARG 34 9.173 -2.284 -1.514 264 2HD ARG 34 2HD ARG 34 10.624 -2.157 -0.525 265 HE ARG 34 HE ARG 34 10.335 -1.403 -3.288 266 1HH1 ARG 34 1HH1 ARG 34 12.557 -2.256 -0.727 267 2HH1 ARG 34 2HH1 ARG 34 13.957 -1.644 -1.560 268 1HH2 ARG 34 1HH2 ARG 34 12.191 -0.659 -4.427 269 2HH2 ARG 34 2HH2 ARG 34 13.752 -0.760 -3.662 270 H ASP 35 H ASP 35 7.453 -6.690 0.021 271 HA ASP 35 HA ASP 35 8.193 -8.892 1.675 272 1HB ASP 35 1HB ASP 35 7.132 -7.964 3.733 273 2HB ASP 35 2HB ASP 35 8.661 -7.220 3.316 274 HA PRO 36 HA PRO 36 4.448 -10.247 0.046 275 1HB PRO 36 1HB PRO 36 4.175 -12.093 2.311 276 2HB PRO 36 2HB PRO 36 4.466 -12.439 0.604 277 1HG PRO 36 1HG PRO 36 6.377 -12.780 2.456 278 2HG PRO 36 2HG PRO 36 6.748 -12.231 0.812 279 1HD PRO 36 1HD PRO 36 6.526 -10.626 3.333 280 2HD PRO 36 2HD PRO 36 7.725 -10.520 2.027 281 H ARG 37 H ARG 37 4.305 -8.243 2.578 282 HA ARG 37 HA ARG 37 1.850 -8.837 3.815 283 1HB ARG 37 1HB ARG 37 3.454 -6.354 3.462 284 2HB ARG 37 2HB ARG 37 1.830 -6.264 4.122 285 1HG ARG 37 1HG ARG 37 2.471 -7.884 5.851 286 2HG ARG 37 2HG ARG 37 4.114 -7.841 5.215 287 1HD ARG 37 1HD ARG 37 2.664 -5.376 6.042 288 2HD ARG 37 2HD ARG 37 3.597 -6.334 7.181 289 HE ARG 37 HE ARG 37 5.003 -5.550 4.771 290 1HH1 ARG 37 1HH1 ARG 37 4.251 -4.811 8.118 291 2HH1 ARG 37 2HH1 ARG 37 5.597 -3.720 8.304 292 1HH2 ARG 37 1HH2 ARG 37 6.748 -4.129 5.007 293 2HH2 ARG 37 2HH2 ARG 37 7.001 -3.300 6.525 294 H TYR 38 H TYR 38 2.660 -7.373 0.760 295 HA TYR 38 HA TYR 38 0.130 -6.206 0.219 296 1HB TYR 38 1HB TYR 38 2.232 -5.617 -0.967 297 2HB TYR 38 2HB TYR 38 2.228 -7.204 -1.725 298 HD1 TYR 38 HD1 TYR 38 -0.066 -4.278 -1.306 299 HD2 TYR 38 HD2 TYR 38 1.401 -7.334 -3.878 300 HE1 TYR 38 HE1 TYR 38 -1.431 -3.381 -3.141 301 HE2 TYR 38 HE2 TYR 38 0.038 -6.443 -5.722 302 HH TYR 38 HH TYR 38 -1.854 -5.080 -6.123 303 H TRP 39 H TRP 39 1.236 -9.417 0.307 304 HA TRP 39 HA TRP 39 -0.998 -10.373 -1.342 305 1HB TRP 39 1HB TRP 39 1.403 -11.935 -0.383 306 2HB TRP 39 2HB TRP 39 0.206 -12.453 -1.568 307 HD1 TRP 39 HD1 TRP 39 3.562 -11.091 -1.414 308 HE1 TRP 39 HE1 TRP 39 4.261 -10.019 -3.653 309 HE3 TRP 39 HE3 TRP 39 -1.033 -10.799 -3.626 310 HZ2 TRP 39 HZ2 TRP 39 3.010 -9.156 -6.037 311 HZ3 TRP 39 HZ3 TRP 39 -1.200 -9.834 -5.882 312 HH2 TRP 39 HH2 TRP 39 0.783 -9.028 -7.061 313 H MET 40 H MET 40 0.347 -10.361 1.869 314 HA MET 40 HA MET 40 -1.127 -12.377 3.099 315 1HB MET 40 1HB MET 40 -0.360 -9.656 4.188 316 2HB MET 40 2HB MET 40 -0.986 -10.974 5.167 317 1HG MET 40 1HG MET 40 0.953 -12.338 4.562 318 2HG MET 40 2HG MET 40 1.577 -11.005 3.592 319 1HE MET 40 1HE MET 40 1.083 -10.840 8.175 320 2HE MET 40 2HE MET 40 0.705 -12.261 7.201 321 3HE MET 40 3HE MET 40 -0.276 -10.804 7.051 322 H VAL 41 H VAL 41 -1.963 -8.950 2.691 323 HA VAL 41 HA VAL 41 -4.777 -9.539 3.062 324 HB VAL 41 HB VAL 41 -4.094 -7.399 3.909 325 1HG1 VAL 41 1HG1 VAL 41 -3.162 -5.632 2.464 326 2HG1 VAL 41 2HG1 VAL 41 -3.016 -6.810 1.157 327 3HG1 VAL 41 3HG1 VAL 41 -2.082 -7.014 2.640 328 1HG2 VAL 41 1HG2 VAL 41 -5.612 -5.921 2.780 329 2HG2 VAL 41 2HG2 VAL 41 -6.299 -7.546 2.807 330 3HG2 VAL 41 3HG2 VAL 41 -5.567 -6.921 1.326 331 H ASP 42 H ASP 42 -6.103 -10.107 1.447 332 HA ASP 42 HA ASP 42 -5.070 -10.866 -1.006 333 1HB ASP 42 1HB ASP 42 -7.542 -11.020 -1.602 334 2HB ASP 42 2HB ASP 42 -6.952 -12.022 -0.306 335 H ASP 43 H ASP 43 -5.364 -10.112 -3.045 336 HA ASP 43 HA ASP 43 -4.959 -7.304 -3.124 337 1HB ASP 43 1HB ASP 43 -4.399 -7.631 -5.451 338 2HB ASP 43 2HB ASP 43 -3.611 -8.847 -4.474 339 H ASP 44 H ASP 44 -6.828 -6.301 -2.597 340 HA ASP 44 HA ASP 44 -8.831 -6.247 -4.741 341 1HB ASP 44 1HB ASP 44 -9.508 -6.211 -2.262 342 2HB ASP 44 2HB ASP 44 -8.832 -4.583 -2.208 343 HA PRO 45 HA PRO 45 -5.771 -3.240 -6.080 344 1HB PRO 45 1HB PRO 45 -7.319 -3.211 -8.559 345 2HB PRO 45 2HB PRO 45 -5.640 -3.648 -8.295 346 1HG PRO 45 1HG PRO 45 -7.480 -5.491 -8.891 347 2HG PRO 45 2HG PRO 45 -6.126 -5.828 -7.794 348 1HD PRO 45 1HD PRO 45 -8.974 -5.192 -7.144 349 2HD PRO 45 2HD PRO 45 -7.892 -6.402 -6.428 350 H LEU 46 H LEU 46 -9.236 -2.921 -6.121 351 HA LEU 46 HA LEU 46 -9.136 -0.107 -6.762 352 1HB LEU 46 1HB LEU 46 -11.054 -1.948 -7.122 353 2HB LEU 46 2HB LEU 46 -11.562 -1.326 -5.566 354 HG LEU 46 HG LEU 46 -12.721 -0.256 -7.477 355 1HD1 LEU 46 1HD1 LEU 46 -12.406 2.067 -6.749 356 2HD1 LEU 46 2HD1 LEU 46 -10.965 1.581 -5.855 357 3HD1 LEU 46 3HD1 LEU 46 -12.546 0.956 -5.386 358 1HD2 LEU 46 1HD2 LEU 46 -11.478 1.341 -8.871 359 2HD2 LEU 46 2HD2 LEU 46 -10.924 -0.316 -9.103 360 3HD2 LEU 46 3HD2 LEU 46 -9.972 0.803 -8.126 361 H TRP 47 H TRP 47 -9.576 -2.131 -3.877 362 HA TRP 47 HA TRP 47 -9.851 0.128 -2.140 363 1HB TRP 47 1HB TRP 47 -10.753 -1.970 -1.388 364 2HB TRP 47 2HB TRP 47 -9.178 -2.747 -1.534 365 HD1 TRP 47 HD1 TRP 47 -10.694 0.216 0.484 366 HE1 TRP 47 HE1 TRP 47 -9.619 0.208 2.830 367 HE3 TRP 47 HE3 TRP 47 -7.492 -3.677 -0.154 368 HZ2 TRP 47 HZ2 TRP 47 -7.654 -1.299 4.225 369 HZ3 TRP 47 HZ3 TRP 47 -6.045 -4.352 1.718 370 HH2 TRP 47 HH2 TRP 47 -6.122 -3.188 3.862 371 H LYS 48 H LYS 48 -7.160 -1.922 -3.147 372 HA LYS 48 HA LYS 48 -5.197 -0.793 -1.481 373 1HB LYS 48 1HB LYS 48 -5.232 -2.390 -3.957 374 2HB LYS 48 2HB LYS 48 -3.798 -1.398 -3.754 375 1HG LYS 48 1HG LYS 48 -3.479 -3.660 -2.907 376 2HG LYS 48 2HG LYS 48 -3.343 -2.461 -1.621 377 1HD LYS 48 1HD LYS 48 -5.645 -2.928 -0.956 378 2HD LYS 48 2HD LYS 48 -5.763 -4.150 -2.220 379 1HE LYS 48 1HE LYS 48 -3.814 -4.220 0.084 380 2HE LYS 48 2HE LYS 48 -5.325 -5.119 0.006 381 1HZ LYS 48 1HZ LYS 48 -3.026 -5.438 -1.852 382 2HZ LYS 48 2HZ LYS 48 -4.478 -6.304 -1.924 383 3HZ LYS 48 3HZ LYS 48 -3.444 -6.504 -0.606 384 H LYS 49 H LYS 49 -6.665 0.304 -4.442 385 HA LYS 49 HA LYS 49 -4.687 2.375 -4.825 386 1HB LYS 49 1HB LYS 49 -5.213 1.992 -6.949 387 2HB LYS 49 2HB LYS 49 -6.492 0.896 -6.452 388 1HG LYS 49 1HG LYS 49 -8.065 2.715 -6.381 389 2HG LYS 49 2HG LYS 49 -6.792 3.864 -6.820 390 1HD LYS 49 1HD LYS 49 -7.873 1.589 -8.486 391 2HD LYS 49 2HD LYS 49 -7.998 3.318 -8.822 392 1HE LYS 49 1HE LYS 49 -5.586 3.457 -9.112 393 2HE LYS 49 2HE LYS 49 -5.421 1.748 -8.691 394 1HZ LYS 49 1HZ LYS 49 -5.391 2.332 -11.138 395 2HZ LYS 49 2HZ LYS 49 -7.052 2.658 -10.995 396 3HZ LYS 49 3HZ LYS 49 -6.464 1.102 -10.670 397 H GLU 50 H GLU 50 -8.048 2.039 -3.813 398 HA GLU 50 HA GLU 50 -8.667 4.759 -3.479 399 1HB GLU 50 1HB GLU 50 -9.627 2.216 -2.298 400 2HB GLU 50 2HB GLU 50 -10.016 3.696 -1.447 401 1HG GLU 50 1HG GLU 50 -10.972 4.540 -3.625 402 2HG GLU 50 2HG GLU 50 -10.829 2.881 -4.212 403 H MET 51 H MET 51 -7.222 2.390 -1.300 404 HA MET 51 HA MET 51 -6.996 4.224 0.857 405 1HB MET 51 1HB MET 51 -6.321 2.434 2.089 406 2HB MET 51 2HB MET 51 -7.028 1.554 0.744 407 1HG MET 51 1HG MET 51 -5.039 0.460 1.054 408 2HG MET 51 2HG MET 51 -4.611 1.604 -0.206 409 1HE MET 51 1HE MET 51 -5.256 2.195 3.559 410 2HE MET 51 2HE MET 51 -3.625 2.034 4.235 411 3HE MET 51 3HE MET 51 -4.420 0.640 3.477 412 H PHE 52 H PHE 52 -5.067 3.375 -1.882 413 HA PHE 52 HA PHE 52 -2.627 4.545 -1.047 414 1HB PHE 52 1HB PHE 52 -2.798 2.984 -2.954 415 2HB PHE 52 2HB PHE 52 -3.711 4.190 -3.851 416 HD1 PHE 52 HD1 PHE 52 -2.413 4.859 -5.627 417 HD2 PHE 52 HD2 PHE 52 -0.628 4.504 -1.780 418 HE1 PHE 52 HE1 PHE 52 -0.322 5.802 -6.516 419 HE2 PHE 52 HE2 PHE 52 1.469 5.449 -2.660 420 HZ PHE 52 HZ PHE 52 1.622 6.099 -5.031 421 H GLU 53 H GLU 53 -5.505 5.806 -2.698 422 HA GLU 53 HA GLU 53 -4.516 8.416 -3.095 423 1HB GLU 53 1HB GLU 53 -7.322 7.373 -2.723 424 2HB GLU 53 2HB GLU 53 -6.952 9.037 -3.146 425 1HG GLU 53 1HG GLU 53 -5.993 6.726 -4.768 426 2HG GLU 53 2HG GLU 53 -7.556 7.481 -5.034 427 H LYS 54 H LYS 54 -5.883 6.767 -0.349 428 HA LYS 54 HA LYS 54 -6.072 9.056 1.315 429 1HB LYS 54 1HB LYS 54 -7.316 7.421 2.214 430 2HB LYS 54 2HB LYS 54 -6.211 6.170 1.739 431 1HG LYS 54 1HG LYS 54 -4.876 6.427 3.570 432 2HG LYS 54 2HG LYS 54 -5.406 8.097 3.834 433 1HD LYS 54 1HD LYS 54 -7.716 7.004 4.108 434 2HD LYS 54 2HD LYS 54 -6.796 5.537 4.455 435 1HE LYS 54 1HE LYS 54 -6.409 8.168 5.837 436 2HE LYS 54 2HE LYS 54 -7.368 6.840 6.492 437 1HZ LYS 54 1HZ LYS 54 -4.453 6.811 5.916 438 2HZ LYS 54 2HZ LYS 54 -5.346 5.454 6.398 439 3HZ LYS 54 3HZ LYS 54 -5.185 6.777 7.443 440 H TYR 55 H TYR 55 -3.564 6.713 0.606 441 HA TYR 55 HA TYR 55 -1.810 7.630 2.657 442 1HB TYR 55 1HB TYR 55 -1.694 5.359 1.615 443 2HB TYR 55 2HB TYR 55 -1.089 6.108 0.142 444 HD1 TYR 55 HD1 TYR 55 1.205 6.431 -0.135 445 HD2 TYR 55 HD2 TYR 55 -0.348 5.816 3.776 446 HE1 TYR 55 HE1 TYR 55 3.494 6.381 0.759 447 HE2 TYR 55 HE2 TYR 55 1.937 5.758 4.679 448 HH TYR 55 HH TYR 55 4.681 6.664 2.792 449 H LEU 56 H LEU 56 -2.568 8.763 -0.498 450 HA LEU 56 HA LEU 56 -0.172 10.376 -0.626 451 1HB LEU 56 1HB LEU 56 -2.556 10.279 -2.464 452 2HB LEU 56 2HB LEU 56 -1.069 11.133 -2.765 453 HG LEU 56 HG LEU 56 -1.406 8.148 -2.596 454 1HD1 LEU 56 1HD1 LEU 56 -0.707 9.969 -4.892 455 2HD1 LEU 56 2HD1 LEU 56 -2.231 9.110 -4.664 456 3HD1 LEU 56 3HD1 LEU 56 -0.744 8.205 -4.950 457 1HD2 LEU 56 1HD2 LEU 56 0.726 8.815 -1.631 458 2HD2 LEU 56 2HD2 LEU 56 1.084 9.775 -3.069 459 3HD2 LEU 56 3HD2 LEU 56 0.961 8.017 -3.190 460 H SER 57 H SER 57 -3.568 10.717 0.116 461 HA SER 57 HA SER 57 -3.413 13.598 0.217 462 1HB SER 57 1HB SER 57 -5.439 12.558 -0.584 463 2HB SER 57 2HB SER 57 -5.648 11.701 0.940 464 HG SER 57 HG SER 57 -6.931 13.606 0.788 465 H ASN 58 H ASN 58 -3.891 10.938 2.520 466 HA ASN 58 HA ASN 58 -3.421 12.790 4.751 467 1HB ASN 58 1HB ASN 58 -4.745 10.101 4.547 468 2HB ASN 58 2HB ASN 58 -4.172 10.702 6.098 469 1HD2 ASN 58 1HD2 ASN 58 -6.513 11.042 3.575 470 2HD2 ASN 58 2HD2 ASN 58 -7.540 12.170 4.395 471 H ARG 59 H ARG 59 -2.454 9.631 3.488 472 HA ARG 59 HA ARG 59 -0.468 8.529 3.516 473 1HB ARG 59 1HB ARG 59 0.462 10.880 3.221 474 2HB ARG 59 2HB ARG 59 0.736 10.893 4.956 475 1HG ARG 59 1HG ARG 59 2.282 9.071 4.783 476 2HG ARG 59 2HG ARG 59 1.918 8.872 3.066 477 1HD ARG 59 1HD ARG 59 3.164 11.302 4.349 478 2HD ARG 59 2HD ARG 59 4.011 10.092 3.387 479 HE ARG 59 HE ARG 59 2.605 10.817 1.494 480 1HH1 ARG 59 1HH1 ARG 59 3.005 12.971 4.223 481 2HH1 ARG 59 2HH1 ARG 59 2.660 14.406 3.302 482 1HH2 ARG 59 1HH2 ARG 59 2.149 12.715 0.279 483 2HH2 ARG 59 2HH2 ARG 59 2.183 14.255 1.070 Start of MODEL 2 1 1H GLY 1 1H GLY 1 -14.035 -6.397 8.039 2 2H GLY 1 2H GLY 1 -13.739 -6.517 6.378 3 3H GLY 1 3H GLY 1 -15.008 -5.546 6.946 4 1HA GLY 1 1HA GLY 1 -13.159 -4.168 6.292 5 2HA GLY 1 2HA GLY 1 -13.419 -4.074 8.030 6 H ALA 2 H ALA 2 -11.065 -4.142 5.852 7 HA ALA 2 HA ALA 2 -9.336 -6.115 7.119 8 1HB ALA 2 1HB ALA 2 -8.822 -4.209 4.830 9 2HB ALA 2 2HB ALA 2 -9.276 -5.908 4.688 10 3HB ALA 2 3HB ALA 2 -7.714 -5.467 5.380 11 H MET 3 H MET 3 -9.388 -5.021 9.199 12 HA MET 3 HA MET 3 -8.541 -2.310 9.465 13 1HB MET 3 1HB MET 3 -8.866 -4.466 11.560 14 2HB MET 3 2HB MET 3 -8.620 -2.759 11.896 15 1HG MET 3 1HG MET 3 -10.973 -3.950 10.452 16 2HG MET 3 2HG MET 3 -10.958 -3.390 12.122 17 1HE MET 3 1HE MET 3 -13.100 -2.447 9.936 18 2HE MET 3 2HE MET 3 -13.183 -0.724 10.303 19 3HE MET 3 3HE MET 3 -13.099 -1.900 11.613 20 H GLU 4 H GLU 4 -7.069 -5.339 10.672 21 HA GLU 4 HA GLU 4 -4.613 -4.047 11.295 22 1HB GLU 4 1HB GLU 4 -5.209 -6.971 10.974 23 2HB GLU 4 2HB GLU 4 -3.748 -6.315 11.660 24 1HG GLU 4 1HG GLU 4 -5.091 -5.250 13.425 25 2HG GLU 4 2HG GLU 4 -6.495 -6.063 12.761 26 H ALA 5 H ALA 5 -5.876 -5.757 8.550 27 HA ALA 5 HA ALA 5 -3.513 -6.097 7.081 28 1HB ALA 5 1HB ALA 5 -6.309 -5.622 6.056 29 2HB ALA 5 2HB ALA 5 -5.619 -7.185 6.495 30 3HB ALA 5 3HB ALA 5 -4.963 -6.284 5.128 31 H GLU 6 H GLU 6 -5.850 -3.400 7.146 32 HA GLU 6 HA GLU 6 -4.532 -1.721 5.317 33 1HB GLU 6 1HB GLU 6 -6.822 -1.367 6.225 34 2HB GLU 6 2HB GLU 6 -6.100 -0.918 7.757 35 1HG GLU 6 1HG GLU 6 -4.942 0.934 6.620 36 2HG GLU 6 2HG GLU 6 -5.802 0.521 5.144 37 H LYS 7 H LYS 7 -4.290 -1.969 8.831 38 HA LYS 7 HA LYS 7 -2.457 0.068 9.302 39 1HB LYS 7 1HB LYS 7 -2.721 -2.546 10.777 40 2HB LYS 7 2HB LYS 7 -1.891 -1.115 11.374 41 1HG LYS 7 1HG LYS 7 -4.014 0.120 11.281 42 2HG LYS 7 2HG LYS 7 -4.829 -1.359 10.768 43 1HD LYS 7 1HD LYS 7 -5.146 -1.109 13.130 44 2HD LYS 7 2HD LYS 7 -4.021 -2.444 12.861 45 1HE LYS 7 1HE LYS 7 -2.148 -0.841 13.235 46 2HE LYS 7 2HE LYS 7 -3.343 0.373 13.691 47 1HZ LYS 7 1HZ LYS 7 -2.552 -0.619 15.670 48 2HZ LYS 7 2HZ LYS 7 -2.757 -2.186 15.064 49 3HZ LYS 7 3HZ LYS 7 -4.115 -1.235 15.424 50 H GLU 8 H GLU 8 -1.782 -3.387 8.715 51 HA GLU 8 HA GLU 8 1.029 -3.115 8.734 52 1HB GLU 8 1HB GLU 8 -0.762 -5.178 7.451 53 2HB GLU 8 2HB GLU 8 0.992 -5.298 7.474 54 1HG GLU 8 1HG GLU 8 0.955 -5.306 9.918 55 2HG GLU 8 2HG GLU 8 -0.803 -5.195 9.887 56 H PHE 9 H PHE 9 -1.370 -2.621 6.270 57 HA PHE 9 HA PHE 9 0.374 -2.620 4.013 58 1HB PHE 9 1HB PHE 9 -2.181 -2.884 4.130 59 2HB PHE 9 2HB PHE 9 -2.256 -1.136 4.281 60 HD1 PHE 9 HD1 PHE 9 -0.508 -0.059 2.306 61 HD2 PHE 9 HD2 PHE 9 -2.833 -3.614 2.120 62 HE1 PHE 9 HE1 PHE 9 -0.585 0.123 -0.150 63 HE2 PHE 9 HE2 PHE 9 -2.906 -3.449 -0.328 64 HZ PHE 9 HZ PHE 9 -1.797 -1.574 -1.474 65 H ILE 10 H ILE 10 -0.885 -0.100 6.176 66 HA ILE 10 HA ILE 10 0.373 2.052 4.775 67 HB ILE 10 HB ILE 10 -0.641 1.931 7.619 68 1HG1 ILE 10 1HG1 ILE 10 -2.342 1.488 5.865 69 2HG1 ILE 10 2HG1 ILE 10 -2.646 2.963 6.767 70 1HG2 ILE 10 1HG2 ILE 10 0.948 3.757 7.327 71 2HG2 ILE 10 2HG2 ILE 10 -0.696 4.382 7.508 72 3HG2 ILE 10 3HG2 ILE 10 0.055 4.323 5.908 73 1HD1 ILE 10 1HD1 ILE 10 -1.759 4.285 4.931 74 2HD1 ILE 10 2HD1 ILE 10 -3.077 3.248 4.387 75 3HD1 ILE 10 3HD1 ILE 10 -1.406 2.809 4.031 76 H THR 11 H THR 11 1.197 0.048 7.540 77 HA THR 11 HA THR 11 3.583 1.371 8.251 78 HB THR 11 HB THR 11 2.978 -1.569 8.609 79 HG1 THR 11 HG1 THR 11 1.310 -0.567 9.614 80 1HG2 THR 11 1HG2 THR 11 4.752 0.308 10.179 81 2HG2 THR 11 2HG2 THR 11 5.307 -0.943 9.066 82 3HG2 THR 11 3HG2 THR 11 4.461 -1.392 10.546 83 H MET 12 H MET 12 2.814 -0.967 5.828 84 HA MET 12 HA MET 12 5.499 -1.688 5.182 85 1HB MET 12 1HB MET 12 4.021 -3.374 4.588 86 2HB MET 12 2HB MET 12 2.775 -2.244 4.075 87 1HG MET 12 1HG MET 12 3.942 -1.790 2.045 88 2HG MET 12 2HG MET 12 5.322 -2.760 2.558 89 1HE MET 12 1HE MET 12 1.177 -4.382 1.349 90 2HE MET 12 2HE MET 12 1.675 -2.693 1.248 91 3HE MET 12 3HE MET 12 1.428 -3.447 2.822 92 H LEU 13 H LEU 13 3.101 0.622 4.159 93 HA LEU 13 HA LEU 13 4.414 1.424 1.806 94 1HB LEU 13 1HB LEU 13 2.298 2.677 3.502 95 2HB LEU 13 2HB LEU 13 2.979 3.531 2.130 96 HG LEU 13 HG LEU 13 0.863 1.636 2.154 97 1HD1 LEU 13 1HD1 LEU 13 0.685 2.284 -0.183 98 2HD1 LEU 13 2HD1 LEU 13 2.298 2.993 -0.107 99 3HD1 LEU 13 3HD1 LEU 13 0.986 3.688 0.844 100 1HD2 LEU 13 1HD2 LEU 13 2.536 -0.125 1.874 101 2HD2 LEU 13 2HD2 LEU 13 3.225 0.740 0.501 102 3HD2 LEU 13 3HD2 LEU 13 1.586 0.092 0.404 103 H LYS 14 H LYS 14 4.515 2.594 5.139 104 HA LYS 14 HA LYS 14 6.263 4.763 4.535 105 1HB LYS 14 1HB LYS 14 5.301 3.500 7.061 106 2HB LYS 14 2HB LYS 14 6.676 4.599 7.115 107 1HG LYS 14 1HG LYS 14 5.303 6.334 7.079 108 2HG LYS 14 2HG LYS 14 4.657 5.799 5.528 109 1HD LYS 14 1HD LYS 14 2.859 6.028 7.101 110 2HD LYS 14 2HD LYS 14 3.109 4.326 6.709 111 1HE LYS 14 1HE LYS 14 4.204 3.924 8.781 112 2HE LYS 14 2HE LYS 14 4.304 5.648 9.133 113 1HZ LYS 14 1HZ LYS 14 2.567 4.791 10.433 114 2HZ LYS 14 2HZ LYS 14 1.889 3.929 9.141 115 3HZ LYS 14 3HZ LYS 14 1.806 5.627 9.164 116 H GLU 15 H GLU 15 6.710 1.420 5.500 117 HA GLU 15 HA GLU 15 9.475 1.544 5.959 118 1HB GLU 15 1HB GLU 15 7.454 -0.556 5.486 119 2HB GLU 15 2HB GLU 15 9.135 -0.994 5.324 120 1HG GLU 15 1HG GLU 15 9.515 -0.157 7.589 121 2HG GLU 15 2HG GLU 15 7.802 0.187 7.736 122 H ASN 16 H ASN 16 7.593 1.541 3.077 123 HA ASN 16 HA ASN 16 9.970 0.887 1.477 124 1HB ASN 16 1HB ASN 16 7.040 0.704 0.888 125 2HB ASN 16 2HB ASN 16 8.220 0.770 -0.419 126 1HD2 ASN 16 1HD2 ASN 16 6.945 -1.108 2.197 127 2HD2 ASN 16 2HD2 ASN 16 7.759 -2.583 1.799 128 H GLN 17 H GLN 17 9.068 3.492 2.806 129 HA GLN 17 HA GLN 17 9.223 5.712 2.410 130 1HB GLN 17 1HB GLN 17 11.047 4.442 0.449 131 2HB GLN 17 2HB GLN 17 10.831 6.189 0.392 132 1HG GLN 17 1HG GLN 17 11.544 4.723 2.902 133 2HG GLN 17 2HG GLN 17 12.769 5.294 1.768 134 1HE2 GLN 17 1HE2 GLN 17 13.038 7.518 1.484 135 2HE2 GLN 17 2HE2 GLN 17 12.491 8.656 2.672 136 H VAL 18 H VAL 18 6.948 4.390 1.177 137 HA VAL 18 HA VAL 18 6.579 5.316 -1.481 138 HB VAL 18 HB VAL 18 4.486 4.499 0.547 139 1HG1 VAL 18 1HG1 VAL 18 3.525 5.775 -1.281 140 2HG1 VAL 18 2HG1 VAL 18 3.072 4.070 -1.415 141 3HG1 VAL 18 3HG1 VAL 18 4.339 4.731 -2.458 142 1HG2 VAL 18 1HG2 VAL 18 6.104 2.721 0.169 143 2HG2 VAL 18 2HG2 VAL 18 5.893 2.876 -1.575 144 3HG2 VAL 18 3HG2 VAL 18 4.556 2.312 -0.571 145 H ASP 19 H ASP 19 5.706 7.150 -2.249 146 HA ASP 19 HA ASP 19 4.286 8.970 -0.501 147 1HB ASP 19 1HB ASP 19 6.813 9.521 -0.524 148 2HB ASP 19 2HB ASP 19 6.514 10.103 -2.137 149 H SER 20 H SER 20 4.546 11.115 -2.400 150 HA SER 20 HA SER 20 2.351 10.307 -4.080 151 1HB SER 20 1HB SER 20 2.612 12.713 -4.937 152 2HB SER 20 2HB SER 20 2.218 12.505 -3.231 153 HG SER 20 HG SER 20 4.177 13.154 -2.661 154 H THR 21 H THR 21 5.722 10.274 -4.408 155 HA THR 21 HA THR 21 5.787 10.520 -7.284 156 HB THR 21 HB THR 21 7.687 11.301 -5.943 157 HG1 THR 21 HG1 THR 21 7.867 10.186 -8.153 158 1HG2 THR 21 1HG2 THR 21 7.570 9.658 -4.134 159 2HG2 THR 21 2HG2 THR 21 9.185 9.716 -4.840 160 3HG2 THR 21 3HG2 THR 21 8.091 8.391 -5.245 161 H TRP 22 H TRP 22 4.822 8.148 -5.215 162 HA TRP 22 HA TRP 22 5.719 5.900 -6.845 163 1HB TRP 22 1HB TRP 22 4.387 6.226 -4.217 164 2HB TRP 22 2HB TRP 22 4.026 4.768 -5.111 165 HD1 TRP 22 HD1 TRP 22 7.327 6.596 -4.049 166 HE1 TRP 22 HE1 TRP 22 8.928 4.770 -3.155 167 HE3 TRP 22 HE3 TRP 22 4.426 2.500 -4.818 168 HZ2 TRP 22 HZ2 TRP 22 8.902 1.930 -2.825 169 HZ3 TRP 22 HZ3 TRP 22 5.217 0.316 -4.167 170 HH2 TRP 22 HH2 TRP 22 7.406 0.018 -3.186 171 H SER 23 H SER 23 4.526 5.175 -8.512 172 HA SER 23 HA SER 23 1.682 5.863 -8.671 173 1HB SER 23 1HB SER 23 1.836 4.851 -10.943 174 2HB SER 23 2HB SER 23 3.016 6.142 -10.713 175 HG SER 23 HG SER 23 4.510 4.743 -11.123 176 H PHE 24 H PHE 24 0.280 3.848 -9.517 177 HA PHE 24 HA PHE 24 0.720 1.753 -7.545 178 1HB PHE 24 1HB PHE 24 -1.505 2.851 -8.239 179 2HB PHE 24 2HB PHE 24 -1.409 1.859 -9.680 180 HD1 PHE 24 HD1 PHE 24 -1.734 1.802 -6.030 181 HD2 PHE 24 HD2 PHE 24 -1.996 -0.439 -9.633 182 HE1 PHE 24 HE1 PHE 24 -2.860 -0.008 -4.816 183 HE2 PHE 24 HE2 PHE 24 -3.127 -2.260 -8.422 184 HZ PHE 24 HZ PHE 24 -3.567 -2.032 -6.008 185 H SER 25 H SER 25 2.177 2.381 -10.225 186 HA SER 25 HA SER 25 2.269 -0.311 -11.322 187 1HB SER 25 1HB SER 25 2.391 1.735 -12.817 188 2HB SER 25 2HB SER 25 3.956 2.093 -12.087 189 HG SER 25 HG SER 25 4.815 0.287 -12.995 190 H ARG 26 H ARG 26 3.995 1.967 -9.364 191 HA ARG 26 HA ARG 26 6.349 0.411 -8.986 192 1HB ARG 26 1HB ARG 26 5.910 2.958 -8.563 193 2HB ARG 26 2HB ARG 26 5.304 2.417 -7.015 194 1HG ARG 26 1HG ARG 26 7.394 1.632 -6.351 195 2HG ARG 26 2HG ARG 26 8.021 1.693 -7.997 196 1HD ARG 26 1HD ARG 26 7.490 4.223 -7.852 197 2HD ARG 26 2HD ARG 26 7.441 3.938 -6.119 198 HE ARG 26 HE ARG 26 9.806 2.842 -7.170 199 1HH1 ARG 26 1HH1 ARG 26 8.351 5.974 -6.602 200 2HH1 ARG 26 2HH1 ARG 26 9.871 6.777 -6.335 201 1HH2 ARG 26 1HH2 ARG 26 11.800 3.882 -6.806 202 2HH2 ARG 26 2HH2 ARG 26 11.834 5.577 -6.427 203 H ILE 27 H ILE 27 3.249 0.740 -7.411 204 HA ILE 27 HA ILE 27 3.774 -0.859 -5.146 205 HB ILE 27 HB ILE 27 1.182 -0.254 -6.583 206 1HG1 ILE 27 1HG1 ILE 27 2.501 0.860 -4.100 207 2HG1 ILE 27 2HG1 ILE 27 2.274 1.693 -5.633 208 1HG2 ILE 27 1HG2 ILE 27 0.954 -2.339 -5.338 209 2HG2 ILE 27 2HG2 ILE 27 0.038 -1.042 -4.570 210 3HG2 ILE 27 3HG2 ILE 27 1.585 -1.553 -3.891 211 1HD1 ILE 27 1HD1 ILE 27 -0.141 1.640 -5.298 212 2HD1 ILE 27 2HD1 ILE 27 0.687 2.460 -3.976 213 3HD1 ILE 27 3HD1 ILE 27 0.093 0.814 -3.760 214 H ILE 28 H ILE 28 2.552 -1.680 -8.420 215 HA ILE 28 HA ILE 28 2.483 -4.485 -7.770 216 HB ILE 28 HB ILE 28 2.568 -3.141 -10.489 217 1HG1 ILE 28 1HG1 ILE 28 0.226 -4.231 -8.906 218 2HG1 ILE 28 2HG1 ILE 28 0.612 -2.523 -9.092 219 1HG2 ILE 28 1HG2 ILE 28 1.844 -5.975 -9.744 220 2HG2 ILE 28 2HG2 ILE 28 3.298 -5.465 -10.603 221 3HG2 ILE 28 3HG2 ILE 28 1.714 -5.268 -11.356 222 1HD1 ILE 28 1HD1 ILE 28 -1.176 -3.162 -10.583 223 2HD1 ILE 28 2HD1 ILE 28 -0.166 -4.423 -11.290 224 3HD1 ILE 28 3HD1 ILE 28 0.261 -2.724 -11.508 225 H SER 29 H SER 29 4.895 -2.374 -9.347 226 HA SER 29 HA SER 29 6.476 -4.569 -10.259 227 1HB SER 29 1HB SER 29 8.067 -2.869 -10.996 228 2HB SER 29 2HB SER 29 6.423 -2.397 -11.422 229 HG SER 29 HG SER 29 6.854 -0.626 -10.414 230 H GLU 30 H GLU 30 6.711 -2.398 -7.469 231 HA GLU 30 HA GLU 30 9.166 -3.819 -6.647 232 1HB GLU 30 1HB GLU 30 8.020 -1.164 -5.759 233 2HB GLU 30 2HB GLU 30 9.492 -1.879 -5.128 234 1HG GLU 30 1HG GLU 30 9.202 -1.311 -8.044 235 2HG GLU 30 2HG GLU 30 9.643 -0.037 -6.908 236 H LEU 31 H LEU 31 5.918 -2.949 -5.681 237 HA LEU 31 HA LEU 31 6.535 -3.398 -2.887 238 1HB LEU 31 1HB LEU 31 5.172 -1.511 -4.000 239 2HB LEU 31 2HB LEU 31 3.854 -2.650 -3.965 240 HG LEU 31 HG LEU 31 3.965 -2.747 -1.570 241 1HD1 LEU 31 1HD1 LEU 31 6.343 -2.502 -1.238 242 2HD1 LEU 31 2HD1 LEU 31 5.465 -1.303 -0.287 243 3HD1 LEU 31 3HD1 LEU 31 6.256 -0.829 -1.791 244 1HD2 LEU 31 1HD2 LEU 31 3.312 -0.452 -1.035 245 2HD2 LEU 31 2HD2 LEU 31 2.587 -1.018 -2.539 246 3HD2 LEU 31 3HD2 LEU 31 3.972 0.074 -2.583 247 H GLY 32 H GLY 32 5.240 -5.174 -5.455 248 1HA GLY 32 1HA GLY 32 3.612 -6.913 -3.818 249 2HA GLY 32 2HA GLY 32 4.006 -7.136 -5.521 250 H THR 33 H THR 33 6.943 -6.638 -4.568 251 HA THR 33 HA THR 33 7.396 -9.405 -3.674 252 HB THR 33 HB THR 33 9.599 -9.221 -4.884 253 HG1 THR 33 HG1 THR 33 8.312 -7.297 -6.507 254 1HG2 THR 33 1HG2 THR 33 7.728 -10.601 -5.668 255 2HG2 THR 33 2HG2 THR 33 8.630 -9.896 -7.015 256 3HG2 THR 33 3HG2 THR 33 7.075 -9.207 -6.538 257 H ARG 34 H ARG 34 8.301 -6.051 -3.259 258 HA ARG 34 HA ARG 34 10.625 -6.351 -1.752 259 1HB ARG 34 1HB ARG 34 8.474 -4.256 -1.733 260 2HB ARG 34 2HB ARG 34 9.817 -4.176 -0.613 261 1HG ARG 34 1HG ARG 34 11.371 -4.189 -2.501 262 2HG ARG 34 2HG ARG 34 9.985 -4.125 -3.596 263 1HD ARG 34 1HD ARG 34 9.273 -2.025 -2.608 264 2HD ARG 34 2HD ARG 34 10.592 -2.109 -1.440 265 HE ARG 34 HE ARG 34 11.087 -1.927 -4.327 266 1HH1 ARG 34 1HH1 ARG 34 11.533 -0.718 -1.086 267 2HH1 ARG 34 2HH1 ARG 34 12.822 0.364 -1.521 268 1HH2 ARG 34 1HH2 ARG 34 12.785 -0.546 -4.921 269 2HH2 ARG 34 2HH2 ARG 34 13.556 0.446 -3.712 270 H ASP 35 H ASP 35 7.241 -6.540 -0.746 271 HA ASP 35 HA ASP 35 8.057 -8.010 1.610 272 1HB ASP 35 1HB ASP 35 8.055 -5.524 2.196 273 2HB ASP 35 2HB ASP 35 6.307 -5.582 1.996 274 HA PRO 36 HA PRO 36 4.438 -10.187 0.295 275 1HB PRO 36 1HB PRO 36 4.581 -11.487 2.931 276 2HB PRO 36 2HB PRO 36 4.713 -12.194 1.319 277 1HG PRO 36 1HG PRO 36 6.845 -11.959 2.917 278 2HG PRO 36 2HG PRO 36 6.971 -11.745 1.160 279 1HD PRO 36 1HD PRO 36 6.858 -9.669 3.318 280 2HD PRO 36 2HD PRO 36 7.877 -9.733 1.867 281 H ARG 37 H ARG 37 4.469 -7.957 2.831 282 HA ARG 37 HA ARG 37 1.980 -8.393 4.019 283 1HB ARG 37 1HB ARG 37 3.728 -6.029 3.673 284 2HB ARG 37 2HB ARG 37 2.080 -5.791 4.237 285 1HG ARG 37 1HG ARG 37 2.433 -7.272 6.077 286 2HG ARG 37 2HG ARG 37 4.036 -7.674 5.481 287 1HD ARG 37 1HD ARG 37 3.255 -4.874 6.144 288 2HD ARG 37 2HD ARG 37 3.872 -5.983 7.362 289 HE ARG 37 HE ARG 37 5.604 -5.988 5.149 290 1HH1 ARG 37 1HH1 ARG 37 4.653 -3.923 7.825 291 2HH1 ARG 37 2HH1 ARG 37 6.177 -3.070 7.867 292 1HH2 ARG 37 1HH2 ARG 37 7.601 -4.903 5.234 293 2HH2 ARG 37 2HH2 ARG 37 7.852 -3.632 6.406 294 H TYR 38 H TYR 38 2.757 -7.226 0.820 295 HA TYR 38 HA TYR 38 0.274 -5.968 0.273 296 1HB TYR 38 1HB TYR 38 2.381 -5.741 -1.083 297 2HB TYR 38 2HB TYR 38 2.121 -7.380 -1.670 298 HD1 TYR 38 HD1 TYR 38 0.569 -4.002 -1.572 299 HD2 TYR 38 HD2 TYR 38 0.778 -7.762 -3.550 300 HE1 TYR 38 HE1 TYR 38 -0.820 -3.114 -3.397 301 HE2 TYR 38 HE2 TYR 38 -0.606 -6.884 -5.381 302 HH TYR 38 HH TYR 38 -1.195 -3.635 -5.857 303 H TRP 39 H TRP 39 1.196 -9.201 0.735 304 HA TRP 39 HA TRP 39 -1.114 -10.238 -0.745 305 1HB TRP 39 1HB TRP 39 1.238 -11.765 0.381 306 2HB TRP 39 2HB TRP 39 -0.017 -12.395 -0.686 307 HD1 TRP 39 HD1 TRP 39 3.395 -11.252 -0.874 308 HE1 TRP 39 HE1 TRP 39 4.013 -10.448 -3.246 309 HE3 TRP 39 HE3 TRP 39 -1.316 -10.815 -2.825 310 HZ2 TRP 39 HZ2 TRP 39 2.680 -9.715 -5.616 311 HZ3 TRP 39 HZ3 TRP 39 -1.550 -10.043 -5.152 312 HH2 TRP 39 HH2 TRP 39 0.407 -9.502 -6.513 313 H MET 40 H MET 40 0.035 -9.647 2.428 314 HA MET 40 HA MET 40 -1.366 -11.579 3.882 315 1HB MET 40 1HB MET 40 0.278 -10.307 5.017 316 2HB MET 40 2HB MET 40 -0.447 -8.785 4.513 317 1HG MET 40 1HG MET 40 -0.907 -9.164 6.831 318 2HG MET 40 2HG MET 40 -2.383 -9.280 5.874 319 1HE MET 40 1HE MET 40 0.431 -11.356 7.680 320 2HE MET 40 2HE MET 40 0.388 -12.057 6.062 321 3HE MET 40 3HE MET 40 -0.153 -13.005 7.447 322 H VAL 41 H VAL 41 -2.278 -8.415 2.632 323 HA VAL 41 HA VAL 41 -5.069 -8.915 3.321 324 HB VAL 41 HB VAL 41 -4.249 -6.637 3.651 325 1HG1 VAL 41 1HG1 VAL 41 -3.684 -6.648 0.697 326 2HG1 VAL 41 2HG1 VAL 41 -2.501 -6.543 2.003 327 3HG1 VAL 41 3HG1 VAL 41 -3.642 -5.224 1.735 328 1HG2 VAL 41 1HG2 VAL 41 -6.182 -6.781 1.345 329 2HG2 VAL 41 2HG2 VAL 41 -5.994 -5.437 2.475 330 3HG2 VAL 41 3HG2 VAL 41 -6.596 -6.991 3.048 331 H ASP 42 H ASP 42 -6.633 -9.359 1.792 332 HA ASP 42 HA ASP 42 -5.789 -10.817 -0.440 333 1HB ASP 42 1HB ASP 42 -8.310 -10.707 -0.946 334 2HB ASP 42 2HB ASP 42 -7.777 -11.562 0.480 335 H ASP 43 H ASP 43 -6.140 -10.502 -2.571 336 HA ASP 43 HA ASP 43 -5.226 -7.948 -3.398 337 1HB ASP 43 1HB ASP 43 -4.398 -9.924 -4.488 338 2HB ASP 43 2HB ASP 43 -6.025 -10.410 -4.948 339 H ASP 44 H ASP 44 -6.749 -6.427 -3.001 340 HA ASP 44 HA ASP 44 -8.887 -6.375 -5.021 341 1HB ASP 44 1HB ASP 44 -9.637 -6.345 -2.581 342 2HB ASP 44 2HB ASP 44 -8.872 -4.761 -2.459 343 HA PRO 45 HA PRO 45 -5.716 -3.491 -6.447 344 1HB PRO 45 1HB PRO 45 -7.587 -3.377 -8.725 345 2HB PRO 45 2HB PRO 45 -5.856 -3.689 -8.710 346 1HG PRO 45 1HG PRO 45 -7.531 -5.677 -9.152 347 2HG PRO 45 2HG PRO 45 -6.116 -5.905 -8.103 348 1HD PRO 45 1HD PRO 45 -8.970 -5.452 -7.337 349 2HD PRO 45 2HD PRO 45 -7.791 -6.601 -6.679 350 H LEU 46 H LEU 46 -9.200 -2.977 -6.492 351 HA LEU 46 HA LEU 46 -8.966 -0.179 -7.007 352 1HB LEU 46 1HB LEU 46 -11.127 -2.117 -6.520 353 2HB LEU 46 2HB LEU 46 -11.473 -0.465 -6.058 354 HG LEU 46 HG LEU 46 -12.288 -0.895 -8.300 355 1HD1 LEU 46 1HD1 LEU 46 -11.494 1.344 -7.837 356 2HD1 LEU 46 2HD1 LEU 46 -11.131 0.902 -9.505 357 3HD1 LEU 46 3HD1 LEU 46 -9.854 0.879 -8.289 358 1HD2 LEU 46 1HD2 LEU 46 -10.772 -1.440 -10.131 359 2HD2 LEU 46 2HD2 LEU 46 -10.764 -2.705 -8.901 360 3HD2 LEU 46 3HD2 LEU 46 -9.430 -1.558 -8.992 361 H TRP 47 H TRP 47 -9.505 -2.178 -4.113 362 HA TRP 47 HA TRP 47 -9.635 0.082 -2.363 363 1HB TRP 47 1HB TRP 47 -10.578 -2.028 -1.614 364 2HB TRP 47 2HB TRP 47 -9.012 -2.818 -1.762 365 HD1 TRP 47 HD1 TRP 47 -10.700 -0.046 0.348 366 HE1 TRP 47 HE1 TRP 47 -9.560 0.022 2.651 367 HE3 TRP 47 HE3 TRP 47 -7.005 -3.460 -0.492 368 HZ2 TRP 47 HZ2 TRP 47 -7.372 -1.213 3.945 369 HZ3 TRP 47 HZ3 TRP 47 -5.421 -3.954 1.323 370 HH2 TRP 47 HH2 TRP 47 -5.600 -2.855 3.492 371 H LYS 48 H LYS 48 -7.036 -2.031 -3.504 372 HA LYS 48 HA LYS 48 -5.006 -0.999 -1.858 373 1HB LYS 48 1HB LYS 48 -5.104 -2.490 -4.404 374 2HB LYS 48 2HB LYS 48 -3.650 -1.542 -4.156 375 1HG LYS 48 1HG LYS 48 -3.340 -3.827 -3.421 376 2HG LYS 48 2HG LYS 48 -3.250 -2.714 -2.055 377 1HD LYS 48 1HD LYS 48 -5.456 -3.282 -1.357 378 2HD LYS 48 2HD LYS 48 -5.734 -4.229 -2.820 379 1HE LYS 48 1HE LYS 48 -3.738 -4.856 -0.647 380 2HE LYS 48 2HE LYS 48 -5.267 -5.687 -0.917 381 1HZ LYS 48 1HZ LYS 48 -2.806 -5.769 -2.540 382 2HZ LYS 48 2HZ LYS 48 -4.290 -6.124 -3.254 383 3HZ LYS 48 3HZ LYS 48 -3.731 -7.064 -1.955 384 H LYS 49 H LYS 49 -6.444 0.199 -4.841 385 HA LYS 49 HA LYS 49 -4.532 2.308 -5.120 386 1HB LYS 49 1HB LYS 49 -7.181 1.736 -6.428 387 2HB LYS 49 2HB LYS 49 -6.279 3.207 -6.749 388 1HG LYS 49 1HG LYS 49 -4.387 1.824 -7.517 389 2HG LYS 49 2HG LYS 49 -5.385 0.387 -7.271 390 1HD LYS 49 1HD LYS 49 -7.032 1.965 -8.765 391 2HD LYS 49 2HD LYS 49 -5.446 2.378 -9.421 392 1HE LYS 49 1HE LYS 49 -4.986 -0.009 -9.752 393 2HE LYS 49 2HE LYS 49 -6.595 -0.384 -9.130 394 1HZ LYS 49 1HZ LYS 49 -7.543 0.890 -10.977 395 2HZ LYS 49 2HZ LYS 49 -6.588 -0.401 -11.532 396 3HZ LYS 49 3HZ LYS 49 -5.987 1.183 -11.587 397 H GLU 50 H GLU 50 -7.809 1.968 -3.854 398 HA GLU 50 HA GLU 50 -8.293 4.707 -3.379 399 1HB GLU 50 1HB GLU 50 -9.499 2.170 -2.353 400 2HB GLU 50 2HB GLU 50 -9.994 3.712 -1.684 401 1HG GLU 50 1HG GLU 50 -10.508 4.440 -4.034 402 2HG GLU 50 2HG GLU 50 -10.256 2.762 -4.517 403 H MET 51 H MET 51 -7.011 2.135 -1.327 404 HA MET 51 HA MET 51 -6.852 3.800 0.984 405 1HB MET 51 1HB MET 51 -6.051 1.944 2.106 406 2HB MET 51 2HB MET 51 -6.970 1.195 0.809 407 1HG MET 51 1HG MET 51 -5.082 -0.055 0.711 408 2HG MET 51 2HG MET 51 -4.626 1.234 -0.390 409 1HE MET 51 1HE MET 51 -3.328 0.946 3.979 410 2HE MET 51 2HE MET 51 -4.315 -0.251 3.118 411 3HE MET 51 3HE MET 51 -4.973 1.356 3.455 412 H PHE 52 H PHE 52 -4.758 3.013 -1.701 413 HA PHE 52 HA PHE 52 -2.366 4.099 -0.625 414 1HB PHE 52 1HB PHE 52 -2.223 2.605 -2.491 415 2HB PHE 52 2HB PHE 52 -3.303 3.602 -3.453 416 HD1 PHE 52 HD1 PHE 52 -2.291 4.677 -5.176 417 HD2 PHE 52 HD2 PHE 52 -0.115 4.121 -1.562 418 HE1 PHE 52 HE1 PHE 52 -0.353 5.815 -6.173 419 HE2 PHE 52 HE2 PHE 52 1.824 5.266 -2.551 420 HZ PHE 52 HZ PHE 52 1.710 6.114 -4.858 421 H GLU 53 H GLU 53 -5.015 5.442 -2.553 422 HA GLU 53 HA GLU 53 -3.888 8.037 -2.761 423 1HB GLU 53 1HB GLU 53 -6.768 7.157 -2.922 424 2HB GLU 53 2HB GLU 53 -6.197 8.761 -3.324 425 1HG GLU 53 1HG GLU 53 -4.770 7.746 -5.053 426 2HG GLU 53 2HG GLU 53 -5.513 6.198 -4.699 427 H LYS 54 H LYS 54 -5.677 6.361 -0.294 428 HA LYS 54 HA LYS 54 -6.242 8.664 1.305 429 1HB LYS 54 1HB LYS 54 -7.459 6.556 1.631 430 2HB LYS 54 2HB LYS 54 -5.965 5.774 2.139 431 1HG LYS 54 1HG LYS 54 -6.881 6.276 4.162 432 2HG LYS 54 2HG LYS 54 -5.925 7.747 3.883 433 1HD LYS 54 1HD LYS 54 -7.906 8.879 3.034 434 2HD LYS 54 2HD LYS 54 -8.862 7.409 3.219 435 1HE LYS 54 1HE LYS 54 -8.504 7.462 5.624 436 2HE LYS 54 2HE LYS 54 -7.511 8.906 5.450 437 1HZ LYS 54 1HZ LYS 54 -10.412 8.677 4.845 438 2HZ LYS 54 2HZ LYS 54 -9.477 10.066 4.565 439 3HZ LYS 54 3HZ LYS 54 -9.717 9.507 6.150 440 H TYR 55 H TYR 55 -3.645 6.329 1.068 441 HA TYR 55 HA TYR 55 -2.177 7.147 3.326 442 1HB TYR 55 1HB TYR 55 -1.701 5.049 2.234 443 2HB TYR 55 2HB TYR 55 -1.307 5.864 0.728 444 HD1 TYR 55 HD1 TYR 55 -0.176 5.591 4.276 445 HD2 TYR 55 HD2 TYR 55 0.884 6.388 0.237 446 HE1 TYR 55 HE1 TYR 55 2.199 5.648 4.913 447 HE2 TYR 55 HE2 TYR 55 3.257 6.449 0.863 448 HH TYR 55 HH TYR 55 4.661 6.738 2.737 449 H LEU 56 H LEU 56 -2.391 8.437 0.084 450 HA LEU 56 HA LEU 56 -0.191 10.257 0.540 451 1HB LEU 56 1HB LEU 56 -2.095 10.071 -1.791 452 2HB LEU 56 2HB LEU 56 -0.619 10.992 -1.729 453 HG LEU 56 HG LEU 56 -0.850 7.994 -1.696 454 1HD1 LEU 56 1HD1 LEU 56 0.318 8.146 -3.843 455 2HD1 LEU 56 2HD1 LEU 56 0.261 9.906 -3.743 456 3HD1 LEU 56 3HD1 LEU 56 -1.234 8.983 -3.880 457 1HD2 LEU 56 1HD2 LEU 56 1.607 9.739 -1.563 458 2HD2 LEU 56 2HD2 LEU 56 1.596 7.984 -1.764 459 3HD2 LEU 56 3HD2 LEU 56 0.987 8.708 -0.270 460 H SER 57 H SER 57 -3.693 10.308 0.479 461 HA SER 57 HA SER 57 -3.864 13.172 0.536 462 1HB SER 57 1HB SER 57 -5.642 11.959 -0.502 463 2HB SER 57 2HB SER 57 -5.931 11.013 0.955 464 HG SER 57 HG SER 57 -6.473 13.744 0.461 465 H ASN 58 H ASN 58 -4.372 10.574 2.902 466 HA ASN 58 HA ASN 58 -4.661 12.601 4.996 467 1HB ASN 58 1HB ASN 58 -5.732 9.904 4.579 468 2HB ASN 58 2HB ASN 58 -5.193 10.218 6.223 469 1HD2 ASN 58 1HD2 ASN 58 -6.404 12.727 4.121 470 2HD2 ASN 58 2HD2 ASN 58 -7.885 13.003 4.973 471 H ARG 59 H ARG 59 -2.938 9.567 4.320 472 HA ARG 59 HA ARG 59 -0.787 8.950 4.833 473 1HB ARG 59 1HB ARG 59 -0.702 11.818 5.293 474 2HB ARG 59 2HB ARG 59 0.329 10.961 6.425 475 1HG ARG 59 1HG ARG 59 0.456 10.592 3.443 476 2HG ARG 59 2HG ARG 59 1.457 11.735 4.340 477 1HD ARG 59 1HD ARG 59 2.304 9.831 5.698 478 2HD ARG 59 2HD ARG 59 1.398 8.737 4.656 479 HE ARG 59 HE ARG 59 2.863 10.008 2.840 480 1HH1 ARG 59 1HH1 ARG 59 3.806 8.729 5.968 481 2HH1 ARG 59 2HH1 ARG 59 5.437 8.375 5.468 482 1HH2 ARG 59 1HH2 ARG 59 5.013 9.557 2.199 483 2HH2 ARG 59 2HH2 ARG 59 6.116 8.849 3.337 Start of MODEL 3 1 1H GLY 1 1H GLY 1 -14.091 -6.359 7.952 2 2H GLY 1 2H GLY 1 -13.527 -5.505 6.598 3 3H GLY 1 3H GLY 1 -13.260 -4.893 8.159 4 1HA GLY 1 1HA GLY 1 -11.821 -6.734 8.686 5 2HA GLY 1 2HA GLY 1 -12.122 -7.415 7.091 6 H ALA 2 H ALA 2 -9.795 -7.341 6.906 7 HA ALA 2 HA ALA 2 -7.858 -6.519 6.071 8 1HB ALA 2 1HB ALA 2 -9.301 -5.959 4.177 9 2HB ALA 2 2HB ALA 2 -7.989 -4.794 4.371 10 3HB ALA 2 3HB ALA 2 -9.621 -4.380 4.896 11 H MET 3 H MET 3 -8.688 -5.602 8.734 12 HA MET 3 HA MET 3 -7.828 -2.840 8.876 13 1HB MET 3 1HB MET 3 -8.606 -4.800 11.035 14 2HB MET 3 2HB MET 3 -8.115 -3.141 11.350 15 1HG MET 3 1HG MET 3 -10.000 -2.428 9.829 16 2HG MET 3 2HG MET 3 -10.546 -4.103 9.872 17 1HE MET 3 1HE MET 3 -9.773 -4.886 12.898 18 2HE MET 3 2HE MET 3 -11.292 -5.346 12.130 19 3HE MET 3 3HE MET 3 -11.306 -4.564 13.711 20 H GLU 4 H GLU 4 -6.661 -5.914 10.280 21 HA GLU 4 HA GLU 4 -4.192 -5.013 11.180 22 1HB GLU 4 1HB GLU 4 -4.828 -7.698 10.035 23 2HB GLU 4 2HB GLU 4 -3.452 -7.314 11.057 24 1HG GLU 4 1HG GLU 4 -4.779 -8.039 12.681 25 2HG GLU 4 2HG GLU 4 -5.465 -6.429 12.595 26 H ALA 5 H ALA 5 -5.187 -6.264 8.062 27 HA ALA 5 HA ALA 5 -2.721 -6.239 6.752 28 1HB ALA 5 1HB ALA 5 -5.476 -5.825 5.604 29 2HB ALA 5 2HB ALA 5 -4.678 -7.376 5.867 30 3HB ALA 5 3HB ALA 5 -4.029 -6.238 4.685 31 H GLU 6 H GLU 6 -5.260 -3.732 6.901 32 HA GLU 6 HA GLU 6 -3.979 -1.812 5.316 33 1HB GLU 6 1HB GLU 6 -6.330 -1.643 6.093 34 2HB GLU 6 2HB GLU 6 -5.745 -1.313 7.715 35 1HG GLU 6 1HG GLU 6 -4.509 0.652 6.705 36 2HG GLU 6 2HG GLU 6 -5.490 0.389 5.270 37 H LYS 7 H LYS 7 -3.946 -2.272 8.820 38 HA LYS 7 HA LYS 7 -2.322 -0.163 9.543 39 1HB LYS 7 1HB LYS 7 -2.697 -2.850 10.773 40 2HB LYS 7 2HB LYS 7 -1.700 -1.606 11.509 41 1HG LYS 7 1HG LYS 7 -4.621 -1.386 10.834 42 2HG LYS 7 2HG LYS 7 -3.896 -1.542 12.422 43 1HD LYS 7 1HD LYS 7 -3.313 0.731 10.577 44 2HD LYS 7 2HD LYS 7 -4.539 0.782 11.850 45 1HE LYS 7 1HE LYS 7 -1.652 0.103 12.339 46 2HE LYS 7 2HE LYS 7 -2.310 1.720 12.474 47 1HZ LYS 7 1HZ LYS 7 -2.177 0.488 14.605 48 2HZ LYS 7 2HZ LYS 7 -3.339 -0.590 14.009 49 3HZ LYS 7 3HZ LYS 7 -3.732 1.046 14.230 50 H GLU 8 H GLU 8 -1.352 -3.445 8.597 51 HA GLU 8 HA GLU 8 1.437 -2.870 8.908 52 1HB GLU 8 1HB GLU 8 0.030 -5.171 7.549 53 2HB GLU 8 2HB GLU 8 1.769 -5.075 7.795 54 1HG GLU 8 1HG GLU 8 1.322 -4.897 10.250 55 2HG GLU 8 2HG GLU 8 -0.369 -5.245 9.895 56 H PHE 9 H PHE 9 -0.877 -2.562 6.366 57 HA PHE 9 HA PHE 9 0.954 -2.390 4.170 58 1HB PHE 9 1HB PHE 9 -1.525 -2.908 4.069 59 2HB PHE 9 2HB PHE 9 -1.837 -1.217 4.422 60 HD1 PHE 9 HD1 PHE 9 -1.438 -3.632 1.907 61 HD2 PHE 9 HD2 PHE 9 -0.769 0.490 2.725 62 HE1 PHE 9 HE1 PHE 9 -1.450 -3.156 -0.505 63 HE2 PHE 9 HE2 PHE 9 -0.774 0.971 0.310 64 HZ PHE 9 HZ PHE 9 -1.130 -0.848 -1.311 65 H ILE 10 H ILE 10 -0.619 -0.028 6.316 66 HA ILE 10 HA ILE 10 0.466 2.284 5.072 67 HB ILE 10 HB ILE 10 -0.457 1.859 7.920 68 1HG1 ILE 10 1HG1 ILE 10 -2.178 1.478 6.185 69 2HG1 ILE 10 2HG1 ILE 10 -2.534 2.868 7.199 70 1HG2 ILE 10 1HG2 ILE 10 0.083 4.436 6.449 71 2HG2 ILE 10 2HG2 ILE 10 1.005 3.791 7.814 72 3HG2 ILE 10 3HG2 ILE 10 -0.671 4.304 8.043 73 1HD1 ILE 10 1HD1 ILE 10 -3.033 3.285 4.845 74 2HD1 ILE 10 2HD1 ILE 10 -1.342 2.986 4.442 75 3HD1 ILE 10 3HD1 ILE 10 -1.776 4.367 5.449 76 H THR 11 H THR 11 1.516 0.209 7.707 77 HA THR 11 HA THR 11 3.842 1.673 8.376 78 HB THR 11 HB THR 11 3.359 -1.296 8.728 79 HG1 THR 11 HG1 THR 11 1.707 -0.348 9.818 80 1HG2 THR 11 1HG2 THR 11 4.910 -1.078 10.622 81 2HG2 THR 11 2HG2 THR 11 5.154 0.622 10.223 82 3HG2 THR 11 3HG2 THR 11 5.683 -0.630 9.100 83 H MET 12 H MET 12 3.077 -0.608 5.910 84 HA MET 12 HA MET 12 5.784 -1.253 5.221 85 1HB MET 12 1HB MET 12 4.200 -2.946 4.760 86 2HB MET 12 2HB MET 12 3.087 -1.819 4.001 87 1HG MET 12 1HG MET 12 4.452 -1.645 2.078 88 2HG MET 12 2HG MET 12 5.765 -2.541 2.844 89 1HE MET 12 1HE MET 12 1.758 -4.345 1.429 90 2HE MET 12 2HE MET 12 2.259 -2.677 1.152 91 3HE MET 12 3HE MET 12 1.854 -3.216 2.782 92 H LEU 13 H LEU 13 3.359 1.053 4.339 93 HA LEU 13 HA LEU 13 4.580 1.917 1.943 94 1HB LEU 13 1HB LEU 13 2.513 3.121 3.739 95 2HB LEU 13 2HB LEU 13 3.135 3.987 2.346 96 HG LEU 13 HG LEU 13 1.067 2.004 2.461 97 1HD1 LEU 13 1HD1 LEU 13 2.283 3.622 0.242 98 2HD1 LEU 13 2HD1 LEU 13 0.918 4.087 1.261 99 3HD1 LEU 13 3HD1 LEU 13 0.757 2.744 0.128 100 1HD2 LEU 13 1HD2 LEU 13 2.835 0.369 1.968 101 2HD2 LEU 13 2HD2 LEU 13 3.332 1.331 0.577 102 3HD2 LEU 13 3HD2 LEU 13 1.738 0.576 0.603 103 H LYS 14 H LYS 14 4.752 2.981 5.309 104 HA LYS 14 HA LYS 14 6.512 5.151 4.727 105 1HB LYS 14 1HB LYS 14 5.703 3.797 7.286 106 2HB LYS 14 2HB LYS 14 6.956 5.036 7.255 107 1HG LYS 14 1HG LYS 14 5.340 6.549 7.444 108 2HG LYS 14 2HG LYS 14 4.849 6.125 5.806 109 1HD LYS 14 1HD LYS 14 2.941 5.995 7.238 110 2HD LYS 14 2HD LYS 14 3.406 4.369 6.738 111 1HE LYS 14 1HE LYS 14 2.859 4.360 9.090 112 2HE LYS 14 2HE LYS 14 4.588 4.080 8.884 113 1HZ LYS 14 1HZ LYS 14 3.341 6.691 9.576 114 2HZ LYS 14 2HZ LYS 14 5.007 6.392 9.434 115 3HZ LYS 14 3HZ LYS 14 4.112 5.653 10.674 116 H GLU 15 H GLU 15 6.925 1.773 5.572 117 HA GLU 15 HA GLU 15 9.672 1.757 6.030 118 1HB GLU 15 1HB GLU 15 7.627 -0.201 5.209 119 2HB GLU 15 2HB GLU 15 9.296 -0.657 5.025 120 1HG GLU 15 1HG GLU 15 9.618 -0.166 7.415 121 2HG GLU 15 2HG GLU 15 7.894 0.144 7.549 122 H ASN 16 H ASN 16 7.789 1.832 3.096 123 HA ASN 16 HA ASN 16 10.172 1.344 1.471 124 1HB ASN 16 1HB ASN 16 7.228 1.253 0.899 125 2HB ASN 16 2HB ASN 16 8.379 1.414 -0.421 126 1HD2 ASN 16 1HD2 ASN 16 7.153 -0.641 2.082 127 2HD2 ASN 16 2HD2 ASN 16 7.909 -2.098 1.527 128 H GLN 17 H GLN 17 9.114 3.911 2.937 129 HA GLN 17 HA GLN 17 9.243 6.146 2.660 130 1HB GLN 17 1HB GLN 17 11.129 5.064 0.651 131 2HB GLN 17 2HB GLN 17 10.839 6.803 0.693 132 1HG GLN 17 1HG GLN 17 11.667 5.154 3.053 133 2HG GLN 17 2HG GLN 17 12.798 6.049 2.034 134 1HE2 GLN 17 1HE2 GLN 17 12.269 6.337 4.867 135 2HE2 GLN 17 2HE2 GLN 17 11.729 7.960 5.109 136 H VAL 18 H VAL 18 7.030 4.810 1.404 137 HA VAL 18 HA VAL 18 6.626 5.744 -1.249 138 HB VAL 18 HB VAL 18 4.589 4.762 0.758 139 1HG1 VAL 18 1HG1 VAL 18 3.494 6.003 -0.987 140 2HG1 VAL 18 2HG1 VAL 18 3.216 4.273 -1.246 141 3HG1 VAL 18 3HG1 VAL 18 4.407 5.133 -2.231 142 1HG2 VAL 18 1HG2 VAL 18 6.067 3.290 -1.419 143 2HG2 VAL 18 2HG2 VAL 18 4.780 2.620 -0.416 144 3HG2 VAL 18 3HG2 VAL 18 6.310 3.103 0.317 145 H ASP 19 H ASP 19 6.169 7.734 -1.857 146 HA ASP 19 HA ASP 19 4.086 9.165 -0.416 147 1HB ASP 19 1HB ASP 19 5.216 11.327 -0.614 148 2HB ASP 19 2HB ASP 19 6.153 10.224 0.375 149 H SER 20 H SER 20 4.279 11.475 -2.151 150 HA SER 20 HA SER 20 2.555 10.597 -4.158 151 1HB SER 20 1HB SER 20 2.617 12.892 -3.284 152 2HB SER 20 2HB SER 20 4.140 13.131 -4.121 153 HG SER 20 HG SER 20 2.744 12.362 -6.035 154 H THR 21 H THR 21 6.004 10.527 -4.116 155 HA THR 21 HA THR 21 6.325 10.557 -6.975 156 HB THR 21 HB THR 21 8.161 11.205 -5.418 157 HG1 THR 21 HG1 THR 21 8.443 9.252 -7.430 158 1HG2 THR 21 1HG2 THR 21 9.500 9.467 -4.353 159 2HG2 THR 21 2HG2 THR 21 8.384 8.231 -4.930 160 3HG2 THR 21 3HG2 THR 21 7.845 9.419 -3.743 161 H TRP 22 H TRP 22 5.002 8.314 -4.939 162 HA TRP 22 HA TRP 22 5.865 6.004 -6.534 163 1HB TRP 22 1HB TRP 22 4.568 6.350 -3.876 164 2HB TRP 22 2HB TRP 22 4.214 4.887 -4.768 165 HD1 TRP 22 HD1 TRP 22 7.468 6.765 -3.687 166 HE1 TRP 22 HE1 TRP 22 9.145 4.971 -2.892 167 HE3 TRP 22 HE3 TRP 22 4.671 2.610 -4.527 168 HZ2 TRP 22 HZ2 TRP 22 9.219 2.119 -2.667 169 HZ3 TRP 22 HZ3 TRP 22 5.562 0.420 -3.984 170 HH2 TRP 22 HH2 TRP 22 7.778 0.180 -3.081 171 H SER 23 H SER 23 4.513 5.043 -7.979 172 HA SER 23 HA SER 23 1.688 5.886 -8.028 173 1HB SER 23 1HB SER 23 1.677 5.087 -10.362 174 2HB SER 23 2HB SER 23 2.944 6.291 -10.128 175 HG SER 23 HG SER 23 4.474 4.692 -10.126 176 H PHE 24 H PHE 24 0.317 3.858 -9.045 177 HA PHE 24 HA PHE 24 0.794 1.695 -7.148 178 1HB PHE 24 1HB PHE 24 -1.453 2.785 -7.904 179 2HB PHE 24 2HB PHE 24 -1.301 1.742 -9.307 180 HD1 PHE 24 HD1 PHE 24 -1.669 1.801 -5.653 181 HD2 PHE 24 HD2 PHE 24 -1.847 -0.558 -9.187 182 HE1 PHE 24 HE1 PHE 24 -2.751 -0.004 -4.387 183 HE2 PHE 24 HE2 PHE 24 -2.926 -2.374 -7.925 184 HZ PHE 24 HZ PHE 24 -3.385 -2.089 -5.520 185 H SER 25 H SER 25 2.291 2.439 -9.774 186 HA SER 25 HA SER 25 2.476 -0.217 -10.954 187 1HB SER 25 1HB SER 25 2.599 1.785 -12.429 188 2HB SER 25 2HB SER 25 4.023 2.331 -11.549 189 HG SER 25 HG SER 25 3.875 -0.181 -12.865 190 H ARG 26 H ARG 26 4.166 2.089 -8.993 191 HA ARG 26 HA ARG 26 6.519 0.555 -8.561 192 1HB ARG 26 1HB ARG 26 6.020 3.115 -8.237 193 2HB ARG 26 2HB ARG 26 5.496 2.610 -6.643 194 1HG ARG 26 1HG ARG 26 7.638 1.910 -6.047 195 2HG ARG 26 2HG ARG 26 8.200 1.940 -7.721 196 1HD ARG 26 1HD ARG 26 7.570 4.449 -7.635 197 2HD ARG 26 2HD ARG 26 7.580 4.223 -5.893 198 HE ARG 26 HE ARG 26 9.969 3.204 -6.950 199 1HH1 ARG 26 1HH1 ARG 26 8.352 6.289 -6.503 200 2HH1 ARG 26 2HH1 ARG 26 9.827 7.183 -6.323 201 1HH2 ARG 26 1HH2 ARG 26 11.919 4.395 -6.713 202 2HH2 ARG 26 2HH2 ARG 26 11.847 6.115 -6.433 203 H ILE 27 H ILE 27 3.414 0.910 -6.967 204 HA ILE 27 HA ILE 27 3.941 -0.717 -4.703 205 HB ILE 27 HB ILE 27 1.354 -0.171 -6.185 206 1HG1 ILE 27 1HG1 ILE 27 2.614 0.994 -3.698 207 2HG1 ILE 27 2HG1 ILE 27 2.297 1.825 -5.216 208 1HG2 ILE 27 1HG2 ILE 27 0.209 -1.013 -4.186 209 2HG2 ILE 27 2HG2 ILE 27 1.763 -1.485 -3.500 210 3HG2 ILE 27 3HG2 ILE 27 1.170 -2.271 -4.962 211 1HD1 ILE 27 1HD1 ILE 27 0.224 0.775 -3.307 212 2HD1 ILE 27 2HD1 ILE 27 -0.102 1.597 -4.833 213 3HD1 ILE 27 3HD1 ILE 27 0.694 2.461 -3.517 214 H ILE 28 H ILE 28 2.455 -1.540 -7.905 215 HA ILE 28 HA ILE 28 2.322 -4.303 -7.340 216 HB ILE 28 HB ILE 28 2.572 -2.912 -10.005 217 1HG1 ILE 28 1HG1 ILE 28 0.577 -2.277 -8.794 218 2HG1 ILE 28 2HG1 ILE 28 0.137 -3.336 -10.132 219 1HG2 ILE 28 1HG2 ILE 28 3.288 -5.230 -10.213 220 2HG2 ILE 28 2HG2 ILE 28 1.736 -4.976 -11.010 221 3HG2 ILE 28 3HG2 ILE 28 1.799 -5.768 -9.435 222 1HD1 ILE 28 1HD1 ILE 28 -1.100 -3.886 -8.120 223 2HD1 ILE 28 2HD1 ILE 28 0.416 -4.151 -7.257 224 3HD1 ILE 28 3HD1 ILE 28 -0.033 -5.207 -8.595 225 H SER 29 H SER 29 4.910 -2.369 -8.822 226 HA SER 29 HA SER 29 6.523 -4.592 -9.535 227 1HB SER 29 1HB SER 29 6.749 -2.427 -10.645 228 2HB SER 29 2HB SER 29 7.264 -1.686 -9.132 229 HG SER 29 HG SER 29 9.081 -3.157 -9.177 230 H GLU 30 H GLU 30 6.411 -2.546 -6.651 231 HA GLU 30 HA GLU 30 8.784 -3.969 -5.632 232 1HB GLU 30 1HB GLU 30 7.759 -1.219 -4.907 233 2HB GLU 30 2HB GLU 30 9.197 -1.981 -4.241 234 1HG GLU 30 1HG GLU 30 8.790 -1.283 -7.139 235 2HG GLU 30 2HG GLU 30 9.684 -0.308 -5.975 236 H LEU 31 H LEU 31 5.516 -2.931 -4.811 237 HA LEU 31 HA LEU 31 5.863 -3.807 -2.061 238 1HB LEU 31 1HB LEU 31 3.803 -2.284 -3.559 239 2HB LEU 31 2HB LEU 31 3.262 -3.188 -2.157 240 HG LEU 31 HG LEU 31 4.374 -1.837 -0.692 241 1HD1 LEU 31 1HD1 LEU 31 6.594 -2.192 -1.566 242 2HD1 LEU 31 2HD1 LEU 31 6.333 -0.491 -1.179 243 3HD1 LEU 31 3HD1 LEU 31 6.275 -1.036 -2.857 244 1HD2 LEU 31 1HD2 LEU 31 2.714 -0.495 -1.836 245 2HD2 LEU 31 2HD2 LEU 31 3.930 0.006 -3.010 246 3HD2 LEU 31 3HD2 LEU 31 4.086 0.487 -1.321 247 H GLY 32 H GLY 32 4.457 -4.920 -5.022 248 1HA GLY 32 1HA GLY 32 3.109 -7.149 -3.743 249 2HA GLY 32 2HA GLY 32 3.230 -6.846 -5.470 250 H THR 33 H THR 33 6.223 -6.546 -3.979 251 HA THR 33 HA THR 33 6.939 -9.331 -4.575 252 HB THR 33 HB THR 33 9.048 -8.523 -5.593 253 HG1 THR 33 HG1 THR 33 8.349 -6.107 -6.380 254 1HG2 THR 33 1HG2 THR 33 8.060 -7.893 -7.754 255 2HG2 THR 33 2HG2 THR 33 6.511 -7.606 -6.953 256 3HG2 THR 33 3HG2 THR 33 7.190 -9.237 -7.006 257 H ARG 34 H ARG 34 8.231 -6.296 -3.196 258 HA ARG 34 HA ARG 34 10.329 -7.328 -1.748 259 1HB ARG 34 1HB ARG 34 8.579 -4.998 -1.176 260 2HB ARG 34 2HB ARG 34 9.968 -5.387 -0.182 261 1HG ARG 34 1HG ARG 34 11.424 -5.127 -2.122 262 2HG ARG 34 2HG ARG 34 10.014 -4.749 -3.120 263 1HD ARG 34 1HD ARG 34 9.508 -2.908 -1.544 264 2HD ARG 34 2HD ARG 34 11.057 -3.194 -0.770 265 HE ARG 34 HE ARG 34 10.704 -2.253 -3.546 266 1HH1 ARG 34 1HH1 ARG 34 12.535 -2.397 -0.563 267 2HH1 ARG 34 2HH1 ARG 34 13.858 -1.449 -1.192 268 1HH2 ARG 34 1HH2 ARG 34 12.436 -1.054 -4.379 269 2HH2 ARG 34 2HH2 ARG 34 13.813 -0.703 -3.372 270 H ASP 35 H ASP 35 6.951 -7.042 -0.736 271 HA ASP 35 HA ASP 35 7.566 -8.693 1.602 272 1HB ASP 35 1HB ASP 35 7.697 -6.207 2.134 273 2HB ASP 35 2HB ASP 35 5.964 -6.147 1.842 274 HA PRO 36 HA PRO 36 3.833 -10.662 0.259 275 1HB PRO 36 1HB PRO 36 3.787 -11.899 2.927 276 2HB PRO 36 2HB PRO 36 3.964 -12.651 1.340 277 1HG PRO 36 1HG PRO 36 6.017 -12.493 3.058 278 2HG PRO 36 2HG PRO 36 6.249 -12.359 1.304 279 1HD PRO 36 1HD PRO 36 6.147 -10.190 3.372 280 2HD PRO 36 2HD PRO 36 7.249 -10.380 1.991 281 H ARG 37 H ARG 37 3.997 -8.388 2.762 282 HA ARG 37 HA ARG 37 1.514 -8.546 3.977 283 1HB ARG 37 1HB ARG 37 3.407 -6.354 3.415 284 2HB ARG 37 2HB ARG 37 1.773 -5.923 3.897 285 1HG ARG 37 1HG ARG 37 1.964 -7.218 5.899 286 2HG ARG 37 2HG ARG 37 3.549 -7.792 5.403 287 1HD ARG 37 1HD ARG 37 3.026 -4.878 5.640 288 2HD ARG 37 2HD ARG 37 3.359 -5.836 7.079 289 HE ARG 37 HE ARG 37 5.308 -6.436 5.169 290 1HH1 ARG 37 1HH1 ARG 37 4.292 -3.656 7.056 291 2HH1 ARG 37 2HH1 ARG 37 5.908 -3.024 7.220 292 1HH2 ARG 37 1HH2 ARG 37 7.409 -5.612 5.382 293 2HH2 ARG 37 2HH2 ARG 37 7.670 -4.129 6.267 294 H TYR 38 H TYR 38 2.305 -7.433 0.744 295 HA TYR 38 HA TYR 38 -0.191 -6.171 0.236 296 1HB TYR 38 1HB TYR 38 1.866 -5.759 -1.104 297 2HB TYR 38 2HB TYR 38 1.750 -7.395 -1.744 298 HD1 TYR 38 HD1 TYR 38 0.194 -7.931 -3.488 299 HD2 TYR 38 HD2 TYR 38 0.188 -4.058 -1.729 300 HE1 TYR 38 HE1 TYR 38 -1.282 -7.127 -5.278 301 HE2 TYR 38 HE2 TYR 38 -1.287 -3.242 -3.519 302 HH TYR 38 HH TYR 38 -3.017 -5.248 -5.497 303 H TRP 39 H TRP 39 0.807 -9.436 0.432 304 HA TRP 39 HA TRP 39 -1.450 -10.369 -1.193 305 1HB TRP 39 1HB TRP 39 0.945 -11.920 -0.200 306 2HB TRP 39 2HB TRP 39 -0.288 -12.508 -1.312 307 HD1 TRP 39 HD1 TRP 39 3.080 -11.194 -1.377 308 HE1 TRP 39 HE1 TRP 39 3.694 -10.236 -3.691 309 HE3 TRP 39 HE3 TRP 39 -1.613 -10.887 -3.385 310 HZ2 TRP 39 HZ2 TRP 39 2.354 -9.455 -6.049 311 HZ3 TRP 39 HZ3 TRP 39 -1.861 -10.012 -5.671 312 HH2 TRP 39 HH2 TRP 39 0.088 -9.309 -6.974 313 H MET 40 H MET 40 -0.325 -10.194 2.072 314 HA MET 40 HA MET 40 -1.726 -12.366 3.188 315 1HB MET 40 1HB MET 40 -1.153 -9.683 4.461 316 2HB MET 40 2HB MET 40 -1.648 -11.135 5.320 317 1HG MET 40 1HG MET 40 0.437 -12.229 4.441 318 2HG MET 40 2HG MET 40 0.940 -10.633 3.883 319 1HE MET 40 1HE MET 40 0.799 -8.740 7.431 320 2HE MET 40 2HE MET 40 -0.607 -9.052 6.414 321 3HE MET 40 3HE MET 40 0.900 -8.492 5.688 322 H VAL 41 H VAL 41 -2.674 -9.053 2.526 323 HA VAL 41 HA VAL 41 -5.464 -9.657 3.061 324 HB VAL 41 HB VAL 41 -4.725 -7.412 3.624 325 1HG1 VAL 41 1HG1 VAL 41 -3.950 -7.123 0.732 326 2HG1 VAL 41 2HG1 VAL 41 -2.853 -7.183 2.112 327 3HG1 VAL 41 3HG1 VAL 41 -3.958 -5.822 1.925 328 1HG2 VAL 41 1HG2 VAL 41 -6.357 -6.087 2.391 329 2HG2 VAL 41 2HG2 VAL 41 -7.017 -7.662 2.835 330 3HG2 VAL 41 3HG2 VAL 41 -6.482 -7.365 1.180 331 H ASP 42 H ASP 42 -6.871 -10.327 1.503 332 HA ASP 42 HA ASP 42 -5.972 -11.153 -0.990 333 1HB ASP 42 1HB ASP 42 -8.493 -11.121 -1.489 334 2HB ASP 42 2HB ASP 42 -7.890 -12.222 -0.285 335 H ASP 43 H ASP 43 -6.114 -10.290 -2.967 336 HA ASP 43 HA ASP 43 -5.602 -7.472 -2.823 337 1HB ASP 43 1HB ASP 43 -4.185 -9.019 -4.160 338 2HB ASP 43 2HB ASP 43 -5.532 -9.225 -5.280 339 H ASP 44 H ASP 44 -7.507 -6.466 -2.439 340 HA ASP 44 HA ASP 44 -9.321 -6.272 -4.737 341 1HB ASP 44 1HB ASP 44 -10.176 -6.325 -2.313 342 2HB ASP 44 2HB ASP 44 -9.456 -4.729 -2.124 343 HA PRO 45 HA PRO 45 -6.078 -3.260 -5.663 344 1HB PRO 45 1HB PRO 45 -7.362 -3.161 -8.298 345 2HB PRO 45 2HB PRO 45 -5.717 -3.604 -7.870 346 1HG PRO 45 1HG PRO 45 -7.464 -5.439 -8.705 347 2HG PRO 45 2HG PRO 45 -6.251 -5.794 -7.458 348 1HD PRO 45 1HD PRO 45 -9.154 -5.159 -7.137 349 2HD PRO 45 2HD PRO 45 -8.174 -6.398 -6.331 350 H LEU 46 H LEU 46 -9.518 -2.933 -6.133 351 HA LEU 46 HA LEU 46 -9.481 -0.160 -6.783 352 1HB LEU 46 1HB LEU 46 -11.335 -1.817 -7.250 353 2HB LEU 46 2HB LEU 46 -11.731 -1.733 -5.551 354 HG LEU 46 HG LEU 46 -13.138 -0.342 -7.161 355 1HD1 LEU 46 1HD1 LEU 46 -13.254 -0.029 -4.766 356 2HD1 LEU 46 2HD1 LEU 46 -13.319 1.529 -5.590 357 3HD1 LEU 46 3HD1 LEU 46 -11.827 1.004 -4.810 358 1HD2 LEU 46 1HD2 LEU 46 -11.298 0.551 -8.494 359 2HD2 LEU 46 2HD2 LEU 46 -10.684 1.404 -7.076 360 3HD2 LEU 46 3HD2 LEU 46 -12.247 1.845 -7.761 361 H TRP 47 H TRP 47 -9.836 -2.043 -3.811 362 HA TRP 47 HA TRP 47 -9.924 0.274 -2.115 363 1HB TRP 47 1HB TRP 47 -10.870 -1.736 -1.225 364 2HB TRP 47 2HB TRP 47 -9.409 -2.656 -1.572 365 HD1 TRP 47 HD1 TRP 47 -10.587 0.183 0.780 366 HE1 TRP 47 HE1 TRP 47 -9.188 0.072 2.947 367 HE3 TRP 47 HE3 TRP 47 -7.386 -3.550 -0.548 368 HZ2 TRP 47 HZ2 TRP 47 -7.004 -1.417 3.945 369 HZ3 TRP 47 HZ3 TRP 47 -5.665 -4.267 1.061 370 HH2 TRP 47 HH2 TRP 47 -5.479 -3.219 3.262 371 H LYS 48 H LYS 48 -7.449 -1.924 -3.299 372 HA LYS 48 HA LYS 48 -5.302 -1.012 -1.743 373 1HB LYS 48 1HB LYS 48 -5.381 -2.158 -4.541 374 2HB LYS 48 2HB LYS 48 -3.898 -1.881 -3.643 375 1HG LYS 48 1HG LYS 48 -6.053 -3.574 -2.463 376 2HG LYS 48 2HG LYS 48 -4.951 -4.238 -3.675 377 1HD LYS 48 1HD LYS 48 -3.062 -3.595 -2.326 378 2HD LYS 48 2HD LYS 48 -4.129 -2.901 -1.101 379 1HE LYS 48 1HE LYS 48 -3.495 -5.056 -0.308 380 2HE LYS 48 2HE LYS 48 -5.155 -5.203 -0.876 381 1HZ LYS 48 1HZ LYS 48 -3.967 -7.075 -1.666 382 2HZ LYS 48 2HZ LYS 48 -2.693 -6.131 -2.241 383 3HZ LYS 48 3HZ LYS 48 -4.199 -6.069 -3.015 384 H LYS 49 H LYS 49 -6.715 0.190 -4.736 385 HA LYS 49 HA LYS 49 -4.674 2.167 -5.124 386 1HB LYS 49 1HB LYS 49 -7.287 1.531 -6.463 387 2HB LYS 49 2HB LYS 49 -6.450 3.040 -6.810 388 1HG LYS 49 1HG LYS 49 -4.500 1.759 -7.532 389 2HG LYS 49 2HG LYS 49 -5.380 0.265 -7.187 390 1HD LYS 49 1HD LYS 49 -7.190 1.471 -8.730 391 2HD LYS 49 2HD LYS 49 -5.725 2.205 -9.395 392 1HE LYS 49 1HE LYS 49 -4.779 -0.024 -9.736 393 2HE LYS 49 2HE LYS 49 -6.258 -0.727 -9.072 394 1HZ LYS 49 1HZ LYS 49 -6.149 0.985 -11.502 395 2HZ LYS 49 2HZ LYS 49 -7.509 0.169 -10.902 396 3HZ LYS 49 3HZ LYS 49 -6.200 -0.708 -11.526 397 H GLU 50 H GLU 50 -7.980 2.084 -3.887 398 HA GLU 50 HA GLU 50 -8.265 4.874 -3.570 399 1HB GLU 50 1HB GLU 50 -9.700 2.483 -2.585 400 2HB GLU 50 2HB GLU 50 -9.975 3.992 -1.738 401 1HG GLU 50 1HG GLU 50 -10.327 4.921 -4.166 402 2HG GLU 50 2HG GLU 50 -10.656 3.227 -4.527 403 H MET 51 H MET 51 -7.047 2.359 -1.441 404 HA MET 51 HA MET 51 -6.788 4.079 0.812 405 1HB MET 51 1HB MET 51 -6.079 2.226 1.927 406 2HB MET 51 2HB MET 51 -6.769 1.406 0.536 407 1HG MET 51 1HG MET 51 -4.764 0.343 0.672 408 2HG MET 51 2HG MET 51 -4.320 1.661 -0.397 409 1HE MET 51 1HE MET 51 -4.211 0.187 3.109 410 2HE MET 51 2HE MET 51 -5.029 1.723 3.436 411 3HE MET 51 3HE MET 51 -3.398 1.433 4.073 412 H PHE 52 H PHE 52 -4.737 3.179 -1.904 413 HA PHE 52 HA PHE 52 -2.379 4.440 -0.932 414 1HB PHE 52 1HB PHE 52 -2.288 2.746 -2.692 415 2HB PHE 52 2HB PHE 52 -3.219 3.787 -3.764 416 HD1 PHE 52 HD1 PHE 52 -0.226 4.276 -1.585 417 HD2 PHE 52 HD2 PHE 52 -1.940 4.617 -5.466 418 HE1 PHE 52 HE1 PHE 52 1.868 5.258 -2.420 419 HE2 PHE 52 HE2 PHE 52 0.152 5.600 -6.306 420 HZ PHE 52 HZ PHE 52 2.060 5.920 -4.781 421 H GLU 53 H GLU 53 -5.076 5.512 -2.973 422 HA GLU 53 HA GLU 53 -4.074 8.100 -3.506 423 1HB GLU 53 1HB GLU 53 -6.932 7.137 -3.292 424 2HB GLU 53 2HB GLU 53 -6.432 8.670 -3.982 425 1HG GLU 53 1HG GLU 53 -5.481 6.050 -5.039 426 2HG GLU 53 2HG GLU 53 -6.960 6.816 -5.591 427 H LYS 54 H LYS 54 -5.755 6.646 -0.832 428 HA LYS 54 HA LYS 54 -6.383 9.053 0.548 429 1HB LYS 54 1HB LYS 54 -7.536 6.917 0.991 430 2HB LYS 54 2HB LYS 54 -6.038 6.256 1.632 431 1HG LYS 54 1HG LYS 54 -7.305 6.891 3.490 432 2HG LYS 54 2HG LYS 54 -6.097 8.171 3.293 433 1HD LYS 54 1HD LYS 54 -7.773 9.496 2.059 434 2HD LYS 54 2HD LYS 54 -8.970 8.243 2.373 435 1HE LYS 54 1HE LYS 54 -7.471 9.727 4.510 436 2HE LYS 54 2HE LYS 54 -9.079 10.172 3.945 437 1HZ LYS 54 1HZ LYS 54 -8.309 7.617 5.259 438 2HZ LYS 54 2HZ LYS 54 -9.848 7.952 4.626 439 3HZ LYS 54 3HZ LYS 54 -9.252 8.857 5.927 440 H TYR 55 H TYR 55 -3.702 6.803 0.551 441 HA TYR 55 HA TYR 55 -2.413 7.902 2.836 442 1HB TYR 55 1HB TYR 55 -2.015 5.605 2.064 443 2HB TYR 55 2HB TYR 55 -1.308 6.211 0.576 444 HD1 TYR 55 HD1 TYR 55 0.951 6.990 0.505 445 HD2 TYR 55 HD2 TYR 55 -0.790 5.839 4.214 446 HE1 TYR 55 HE1 TYR 55 3.176 6.980 1.541 447 HE2 TYR 55 HE2 TYR 55 1.442 5.831 5.262 448 HH TYR 55 HH TYR 55 4.195 7.156 3.736 449 H LEU 56 H LEU 56 -2.470 8.729 -0.527 450 HA LEU 56 HA LEU 56 -0.114 10.374 -0.315 451 1HB LEU 56 1HB LEU 56 -2.107 10.036 -2.552 452 2HB LEU 56 2HB LEU 56 -0.627 10.952 -2.656 453 HG LEU 56 HG LEU 56 -0.851 7.979 -2.257 454 1HD1 LEU 56 1HD1 LEU 56 0.124 9.620 -4.589 455 2HD1 LEU 56 2HD1 LEU 56 -1.361 8.670 -4.522 456 3HD1 LEU 56 3HD1 LEU 56 0.207 7.863 -4.466 457 1HD2 LEU 56 1HD2 LEU 56 1.610 9.711 -2.487 458 2HD2 LEU 56 2HD2 LEU 56 1.585 7.943 -2.426 459 3HD2 LEU 56 3HD2 LEU 56 1.052 8.885 -1.028 460 H SER 57 H SER 57 -3.600 10.801 -0.339 461 HA SER 57 HA SER 57 -3.382 13.674 -0.502 462 1HB SER 57 1HB SER 57 -5.892 13.542 -0.248 463 2HB SER 57 2HB SER 57 -5.215 12.697 -1.640 464 HG SER 57 HG SER 57 -5.700 10.808 -0.773 465 H ASN 58 H ASN 58 -4.177 11.242 1.927 466 HA ASN 58 HA ASN 58 -4.216 13.379 3.954 467 1HB ASN 58 1HB ASN 58 -6.195 11.481 3.335 468 2HB ASN 58 2HB ASN 58 -5.470 10.939 4.842 469 1HD2 ASN 58 1HD2 ASN 58 -8.127 12.166 4.207 470 2HD2 ASN 58 2HD2 ASN 58 -8.257 13.514 5.287 471 H ARG 59 H ARG 59 -3.304 10.039 3.261 472 HA ARG 59 HA ARG 59 -1.726 8.664 4.125 473 1HB ARG 59 1HB ARG 59 -0.230 10.621 3.760 474 2HB ARG 59 2HB ARG 59 -0.562 11.144 5.405 475 1HG ARG 59 1HG ARG 59 0.469 9.146 6.286 476 2HG ARG 59 2HG ARG 59 0.718 8.527 4.651 477 1HD ARG 59 1HD ARG 59 1.945 11.009 5.841 478 2HD ARG 59 2HD ARG 59 2.770 9.489 5.503 479 HE ARG 59 HE ARG 59 1.716 10.251 3.098 480 1HH1 ARG 59 1HH1 ARG 59 3.824 11.763 5.446 481 2HH1 ARG 59 2HH1 ARG 59 4.724 12.644 4.245 482 1HH2 ARG 59 1HH2 ARG 59 2.855 11.447 1.527 483 2HH2 ARG 59 2HH2 ARG 59 4.178 12.467 2.020 Start of MODEL 4 1 1H GLY 1 1H GLY 1 -13.811 -6.356 8.710 2 2H GLY 1 2H GLY 1 -13.221 -4.849 8.207 3 3H GLY 1 3H GLY 1 -12.330 -5.791 9.298 4 1HA GLY 1 1HA GLY 1 -11.872 -7.431 7.657 5 2HA GLY 1 2HA GLY 1 -12.952 -6.627 6.525 6 H ALA 2 H ALA 2 -9.894 -7.239 6.832 7 HA ALA 2 HA ALA 2 -7.969 -6.361 6.021 8 1HB ALA 2 1HB ALA 2 -8.122 -4.808 4.171 9 2HB ALA 2 2HB ALA 2 -9.788 -4.425 4.600 10 3HB ALA 2 3HB ALA 2 -9.373 -6.043 4.034 11 H MET 3 H MET 3 -9.096 -5.205 8.537 12 HA MET 3 HA MET 3 -8.218 -2.433 8.446 13 1HB MET 3 1HB MET 3 -9.433 -4.108 10.638 14 2HB MET 3 2HB MET 3 -8.881 -2.457 10.884 15 1HG MET 3 1HG MET 3 -11.010 -3.303 8.931 16 2HG MET 3 2HG MET 3 -11.301 -2.617 10.526 17 1HE MET 3 1HE MET 3 -11.201 -1.881 6.885 18 2HE MET 3 2HE MET 3 -9.449 -1.871 7.064 19 3HE MET 3 3HE MET 3 -10.303 -0.378 6.685 20 H GLU 4 H GLU 4 -7.342 -5.446 10.115 21 HA GLU 4 HA GLU 4 -4.989 -4.396 11.308 22 1HB GLU 4 1HB GLU 4 -6.258 -6.519 11.926 23 2HB GLU 4 2HB GLU 4 -5.444 -7.249 10.561 24 1HG GLU 4 1HG GLU 4 -3.283 -6.573 11.591 25 2HG GLU 4 2HG GLU 4 -4.201 -6.105 13.011 26 H ALA 5 H ALA 5 -5.757 -5.948 8.274 27 HA ALA 5 HA ALA 5 -3.148 -6.185 7.247 28 1HB ALA 5 1HB ALA 5 -4.217 -6.369 5.068 29 2HB ALA 5 2HB ALA 5 -5.731 -5.769 5.748 30 3HB ALA 5 3HB ALA 5 -5.084 -7.324 6.270 31 H GLU 6 H GLU 6 -5.545 -3.581 7.093 32 HA GLU 6 HA GLU 6 -4.177 -1.778 5.471 33 1HB GLU 6 1HB GLU 6 -6.510 -1.484 6.291 34 2HB GLU 6 2HB GLU 6 -5.870 -1.122 7.881 35 1HG GLU 6 1HG GLU 6 -4.618 0.774 6.839 36 2HG GLU 6 2HG GLU 6 -5.533 0.471 5.370 37 H LYS 7 H LYS 7 -4.089 -2.213 8.977 38 HA LYS 7 HA LYS 7 -2.357 -0.184 9.683 39 1HB LYS 7 1HB LYS 7 -2.410 -2.934 10.887 40 2HB LYS 7 2HB LYS 7 -1.754 -1.505 11.651 41 1HG LYS 7 1HG LYS 7 -4.627 -2.097 11.028 42 2HG LYS 7 2HG LYS 7 -3.880 -2.021 12.620 43 1HD LYS 7 1HD LYS 7 -4.899 0.034 12.520 44 2HD LYS 7 2HD LYS 7 -3.313 0.437 11.852 45 1HE LYS 7 1HE LYS 7 -4.225 0.041 9.592 46 2HE LYS 7 2HE LYS 7 -5.815 -0.200 10.309 47 1HZ LYS 7 1HZ LYS 7 -5.487 2.055 9.432 48 2HZ LYS 7 2HZ LYS 7 -4.235 2.304 10.558 49 3HZ LYS 7 3HZ LYS 7 -5.824 2.048 11.094 50 H GLU 8 H GLU 8 -1.490 -3.533 8.859 51 HA GLU 8 HA GLU 8 1.292 -3.163 8.898 52 1HB GLU 8 1HB GLU 8 -0.495 -5.183 7.588 53 2HB GLU 8 2HB GLU 8 1.242 -5.209 7.314 54 1HG GLU 8 1HG GLU 8 -0.159 -5.454 9.964 55 2HG GLU 8 2HG GLU 8 0.652 -6.743 9.071 56 H PHE 9 H PHE 9 -1.064 -2.787 6.347 57 HA PHE 9 HA PHE 9 0.696 -2.498 4.158 58 1HB PHE 9 1HB PHE 9 -1.838 -2.888 4.223 59 2HB PHE 9 2HB PHE 9 -2.005 -1.162 4.498 60 HD1 PHE 9 HD1 PHE 9 -1.707 -3.761 2.108 61 HD2 PHE 9 HD2 PHE 9 -1.047 0.407 2.675 62 HE1 PHE 9 HE1 PHE 9 -1.782 -3.426 -0.323 63 HE2 PHE 9 HE2 PHE 9 -1.116 0.747 0.234 64 HZ PHE 9 HZ PHE 9 -1.509 -1.173 -1.268 65 H ILE 10 H ILE 10 -0.669 -0.150 6.451 66 HA ILE 10 HA ILE 10 0.463 2.132 5.145 67 HB ILE 10 HB ILE 10 -0.521 1.838 7.989 68 1HG1 ILE 10 1HG1 ILE 10 -2.237 1.310 6.306 69 2HG1 ILE 10 2HG1 ILE 10 -2.602 2.791 7.173 70 1HG2 ILE 10 1HG2 ILE 10 -0.758 4.276 7.956 71 2HG2 ILE 10 2HG2 ILE 10 -0.035 4.324 6.343 72 3HG2 ILE 10 3HG2 ILE 10 0.924 3.781 7.726 73 1HD1 ILE 10 1HD1 ILE 10 -1.433 2.607 4.409 74 2HD1 ILE 10 2HD1 ILE 10 -1.798 4.101 5.274 75 3HD1 ILE 10 3HD1 ILE 10 -3.102 3.008 4.810 76 H THR 11 H THR 11 1.398 0.052 7.826 77 HA THR 11 HA THR 11 3.706 1.457 8.618 78 HB THR 11 HB THR 11 3.242 -1.530 8.781 79 HG1 THR 11 HG1 THR 11 1.537 -0.640 9.847 80 1HG2 THR 11 1HG2 THR 11 4.702 -1.391 10.759 81 2HG2 THR 11 2HG2 THR 11 4.962 0.325 10.434 82 3HG2 THR 11 3HG2 THR 11 5.539 -0.886 9.290 83 H MET 12 H MET 12 3.091 -0.849 6.108 84 HA MET 12 HA MET 12 5.817 -1.282 5.380 85 1HB MET 12 1HB MET 12 4.414 -3.080 4.870 86 2HB MET 12 2HB MET 12 3.126 -2.041 4.284 87 1HG MET 12 1HG MET 12 4.284 -1.625 2.258 88 2HG MET 12 2HG MET 12 5.738 -2.439 2.844 89 1HE MET 12 1HE MET 12 2.104 -2.807 1.483 90 2HE MET 12 2HE MET 12 1.927 -3.430 3.123 91 3HE MET 12 3HE MET 12 1.768 -4.519 1.744 92 H LEU 13 H LEU 13 3.214 0.860 4.517 93 HA LEU 13 HA LEU 13 4.392 1.859 2.160 94 1HB LEU 13 1HB LEU 13 2.191 2.792 3.941 95 2HB LEU 13 2HB LEU 13 2.806 3.854 2.687 96 HG LEU 13 HG LEU 13 0.849 1.822 2.447 97 1HD1 LEU 13 1HD1 LEU 13 0.812 3.960 1.328 98 2HD1 LEU 13 2HD1 LEU 13 0.753 2.661 0.134 99 3HD1 LEU 13 3HD1 LEU 13 2.262 3.532 0.419 100 1HD2 LEU 13 1HD2 LEU 13 3.304 1.243 0.785 101 2HD2 LEU 13 2HD2 LEU 13 1.722 0.485 0.599 102 3HD2 LEU 13 3HD2 LEU 13 2.664 0.213 2.066 103 H LYS 14 H LYS 14 4.492 2.891 5.545 104 HA LYS 14 HA LYS 14 6.089 5.196 5.012 105 1HB LYS 14 1HB LYS 14 5.355 3.708 7.511 106 2HB LYS 14 2HB LYS 14 6.649 4.898 7.559 107 1HG LYS 14 1HG LYS 14 5.054 6.405 7.940 108 2HG LYS 14 2HG LYS 14 4.630 6.215 6.243 109 1HD LYS 14 1HD LYS 14 2.602 5.882 7.219 110 2HD LYS 14 2HD LYS 14 3.207 4.240 7.100 111 1HE LYS 14 1HE LYS 14 3.365 5.981 9.557 112 2HE LYS 14 2HE LYS 14 2.164 4.723 9.287 113 1HZ LYS 14 1HZ LYS 14 3.874 3.874 10.689 114 2HZ LYS 14 2HZ LYS 14 5.089 4.354 9.612 115 3HZ LYS 14 3HZ LYS 14 4.027 3.115 9.184 116 H GLU 15 H GLU 15 6.775 1.833 5.732 117 HA GLU 15 HA GLU 15 9.539 2.062 6.131 118 1HB GLU 15 1HB GLU 15 7.633 -0.082 5.435 119 2HB GLU 15 2HB GLU 15 9.332 -0.399 5.215 120 1HG GLU 15 1HG GLU 15 9.649 0.248 7.594 121 2HG GLU 15 2HG GLU 15 7.898 0.309 7.747 122 H ASN 16 H ASN 16 7.568 2.084 3.288 123 HA ASN 16 HA ASN 16 9.909 1.665 1.578 124 1HB ASN 16 1HB ASN 16 6.970 1.347 1.145 125 2HB ASN 16 2HB ASN 16 8.035 1.608 -0.236 126 1HD2 ASN 16 1HD2 ASN 16 7.196 -0.519 2.373 127 2HD2 ASN 16 2HD2 ASN 16 8.064 -1.902 1.794 128 H GLN 17 H GLN 17 8.854 4.176 3.054 129 HA GLN 17 HA GLN 17 8.918 6.411 2.744 130 1HB GLN 17 1HB GLN 17 10.733 5.355 0.630 131 2HB GLN 17 2HB GLN 17 10.528 7.092 0.861 132 1HG GLN 17 1HG GLN 17 11.279 5.241 3.084 133 2HG GLN 17 2HG GLN 17 12.491 5.974 2.029 134 1HE2 GLN 17 1HE2 GLN 17 13.431 7.145 3.665 135 2HE2 GLN 17 2HE2 GLN 17 12.656 8.497 4.425 136 H VAL 18 H VAL 18 6.686 5.056 1.512 137 HA VAL 18 HA VAL 18 6.356 5.804 -1.199 138 HB VAL 18 HB VAL 18 4.251 4.992 0.815 139 1HG1 VAL 18 1HG1 VAL 18 2.902 4.400 -1.154 140 2HG1 VAL 18 2HG1 VAL 18 4.149 5.097 -2.199 141 3HG1 VAL 18 3HG1 VAL 18 3.252 6.134 -1.076 142 1HG2 VAL 18 1HG2 VAL 18 5.767 3.354 -1.216 143 2HG2 VAL 18 2HG2 VAL 18 4.454 2.766 -0.196 144 3HG2 VAL 18 3HG2 VAL 18 5.973 3.289 0.535 145 H ASP 19 H ASP 19 5.487 7.529 -2.126 146 HA ASP 19 HA ASP 19 3.698 9.288 -0.735 147 1HB ASP 19 1HB ASP 19 4.959 11.304 -0.867 148 2HB ASP 19 2HB ASP 19 5.997 10.126 -0.089 149 H SER 20 H SER 20 4.012 11.451 -2.538 150 HA SER 20 HA SER 20 2.355 10.685 -4.632 151 1HB SER 20 1HB SER 20 3.207 12.909 -5.650 152 2HB SER 20 2HB SER 20 2.389 12.963 -4.087 153 HG SER 20 HG SER 20 5.090 12.551 -3.856 154 H THR 21 H THR 21 5.824 10.456 -4.379 155 HA THR 21 HA THR 21 6.436 10.391 -7.153 156 HB THR 21 HB THR 21 8.595 9.390 -6.438 157 HG1 THR 21 HG1 THR 21 7.882 9.735 -3.735 158 1HG2 THR 21 1HG2 THR 21 9.355 11.314 -5.092 159 2HG2 THR 21 2HG2 THR 21 7.673 11.773 -4.828 160 3HG2 THR 21 3HG2 THR 21 8.352 11.810 -6.454 161 H TRP 22 H TRP 22 4.857 8.150 -5.192 162 HA TRP 22 HA TRP 22 5.705 5.843 -6.773 163 1HB TRP 22 1HB TRP 22 4.176 6.191 -4.235 164 2HB TRP 22 2HB TRP 22 3.969 4.716 -5.157 165 HD1 TRP 22 HD1 TRP 22 7.078 6.705 -3.851 166 HE1 TRP 22 HE1 TRP 22 8.702 4.980 -2.822 167 HE3 TRP 22 HE3 TRP 22 4.444 2.450 -4.757 168 HZ2 TRP 22 HZ2 TRP 22 8.793 2.164 -2.441 169 HZ3 TRP 22 HZ3 TRP 22 5.320 0.312 -4.025 170 HH2 TRP 22 HH2 TRP 22 7.446 0.162 -2.898 171 H SER 23 H SER 23 4.535 5.051 -8.385 172 HA SER 23 HA SER 23 1.701 5.799 -8.637 173 1HB SER 23 1HB SER 23 3.347 4.335 -10.681 174 2HB SER 23 2HB SER 23 1.877 5.271 -10.939 175 HG SER 23 HG SER 23 3.269 7.098 -10.118 176 H PHE 24 H PHE 24 0.305 3.801 -9.491 177 HA PHE 24 HA PHE 24 0.743 1.742 -7.477 178 1HB PHE 24 1HB PHE 24 -1.476 2.831 -8.279 179 2HB PHE 24 2HB PHE 24 -1.367 1.719 -9.630 180 HD1 PHE 24 HD1 PHE 24 -2.045 -0.528 -9.410 181 HD2 PHE 24 HD2 PHE 24 -1.651 1.929 -5.962 182 HE1 PHE 24 HE1 PHE 24 -3.191 -2.240 -8.064 183 HE2 PHE 24 HE2 PHE 24 -2.783 0.221 -4.611 184 HZ PHE 24 HZ PHE 24 -3.557 -1.862 -5.656 185 H SER 25 H SER 25 2.225 2.234 -10.180 186 HA SER 25 HA SER 25 2.302 -0.497 -11.168 187 1HB SER 25 1HB SER 25 2.479 1.446 -12.746 188 2HB SER 25 2HB SER 25 3.991 1.901 -11.958 189 HG SER 25 HG SER 25 3.531 0.027 -13.862 190 H ARG 26 H ARG 26 4.049 1.807 -9.263 191 HA ARG 26 HA ARG 26 6.417 0.295 -8.858 192 1HB ARG 26 1HB ARG 26 5.934 2.831 -8.489 193 2HB ARG 26 2HB ARG 26 5.299 2.322 -6.943 194 1HG ARG 26 1HG ARG 26 7.403 1.575 -6.229 195 2HG ARG 26 2HG ARG 26 8.072 1.699 -7.857 196 1HD ARG 26 1HD ARG 26 7.434 4.180 -7.713 197 2HD ARG 26 2HD ARG 26 7.267 3.893 -5.988 198 HE ARG 26 HE ARG 26 9.742 2.906 -6.745 199 1HH1 ARG 26 1HH1 ARG 26 8.120 6.009 -6.666 200 2HH1 ARG 26 2HH1 ARG 26 9.578 6.908 -6.371 201 1HH2 ARG 26 1HH2 ARG 26 11.647 4.074 -6.342 202 2HH2 ARG 26 2HH2 ARG 26 11.583 5.805 -6.194 203 H ILE 27 H ILE 27 3.332 0.637 -7.242 204 HA ILE 27 HA ILE 27 3.884 -0.936 -4.962 205 HB ILE 27 HB ILE 27 1.257 -0.403 -6.371 206 1HG1 ILE 27 1HG1 ILE 27 2.604 0.885 -3.986 207 2HG1 ILE 27 2HG1 ILE 27 2.344 1.621 -5.563 208 1HG2 ILE 27 1HG2 ILE 27 0.193 -1.088 -4.274 209 2HG2 ILE 27 2HG2 ILE 27 1.768 -1.536 -3.620 210 3HG2 ILE 27 3HG2 ILE 27 1.103 -2.412 -5.000 211 1HD1 ILE 27 1HD1 ILE 27 0.759 2.456 -3.940 212 2HD1 ILE 27 2HD1 ILE 27 0.202 0.814 -3.609 213 3HD1 ILE 27 3HD1 ILE 27 -0.069 1.535 -5.196 214 H ILE 28 H ILE 28 2.391 -1.798 -8.134 215 HA ILE 28 HA ILE 28 2.257 -4.563 -7.433 216 HB ILE 28 HB ILE 28 2.258 -3.280 -10.176 217 1HG1 ILE 28 1HG1 ILE 28 -0.030 -4.240 -8.435 218 2HG1 ILE 28 2HG1 ILE 28 0.412 -2.555 -8.693 219 1HG2 ILE 28 1HG2 ILE 28 2.887 -5.645 -10.277 220 2HG2 ILE 28 2HG2 ILE 28 1.289 -5.375 -10.972 221 3HG2 ILE 28 3HG2 ILE 28 1.441 -6.067 -9.357 222 1HD1 ILE 28 1HD1 ILE 28 -1.497 -3.198 -10.051 223 2HD1 ILE 28 2HD1 ILE 28 -0.542 -4.470 -10.809 224 3HD1 ILE 28 3HD1 ILE 28 -0.115 -2.777 -11.063 225 H SER 29 H SER 29 4.710 -2.642 -9.149 226 HA SER 29 HA SER 29 6.120 -4.951 -10.083 227 1HB SER 29 1HB SER 29 6.003 -2.623 -11.151 228 2HB SER 29 2HB SER 29 7.236 -2.164 -9.987 229 HG SER 29 HG SER 29 7.485 -4.374 -11.754 230 H GLU 30 H GLU 30 6.603 -2.671 -7.404 231 HA GLU 30 HA GLU 30 9.083 -4.119 -6.712 232 1HB GLU 30 1HB GLU 30 8.183 -1.331 -5.944 233 2HB GLU 30 2HB GLU 30 9.677 -2.092 -5.417 234 1HG GLU 30 1HG GLU 30 9.013 -1.600 -8.302 235 2HG GLU 30 2HG GLU 30 9.901 -0.460 -7.294 236 H LEU 31 H LEU 31 5.998 -3.002 -5.535 237 HA LEU 31 HA LEU 31 6.747 -3.423 -2.777 238 1HB LEU 31 1HB LEU 31 5.277 -1.578 -3.859 239 2HB LEU 31 2HB LEU 31 3.991 -2.750 -3.725 240 HG LEU 31 HG LEU 31 4.242 -2.798 -1.342 241 1HD1 LEU 31 1HD1 LEU 31 6.626 -2.497 -1.152 242 2HD1 LEU 31 2HD1 LEU 31 5.792 -1.278 -0.190 243 3HD1 LEU 31 3HD1 LEU 31 6.482 -0.849 -1.756 244 1HD2 LEU 31 1HD2 LEU 31 2.777 -1.107 -2.281 245 2HD2 LEU 31 2HD2 LEU 31 4.134 0.017 -2.376 246 3HD2 LEU 31 3HD2 LEU 31 3.545 -0.526 -0.804 247 H GLY 32 H GLY 32 4.624 -4.863 -5.186 248 1HA GLY 32 1HA GLY 32 3.545 -6.902 -3.547 249 2HA GLY 32 2HA GLY 32 3.643 -6.925 -5.302 250 H THR 33 H THR 33 6.678 -6.453 -4.884 251 HA THR 33 HA THR 33 7.299 -9.305 -4.577 252 HB THR 33 HB THR 33 9.336 -8.824 -5.872 253 HG1 THR 33 HG1 THR 33 9.779 -6.821 -6.549 254 1HG2 THR 33 1HG2 THR 33 6.766 -7.979 -7.209 255 2HG2 THR 33 2HG2 THR 33 7.340 -9.640 -7.012 256 3HG2 THR 33 3HG2 THR 33 8.233 -8.512 -8.041 257 H ARG 34 H ARG 34 7.451 -6.533 -2.832 258 HA ARG 34 HA ARG 34 10.087 -6.965 -1.717 259 1HB ARG 34 1HB ARG 34 8.045 -4.863 -1.480 260 2HB ARG 34 2HB ARG 34 9.155 -5.066 -0.133 261 1HG ARG 34 1HG ARG 34 11.037 -4.694 -1.585 262 2HG ARG 34 2HG ARG 34 9.970 -4.652 -2.994 263 1HD ARG 34 1HD ARG 34 8.830 -2.719 -2.033 264 2HD ARG 34 2HD ARG 34 9.958 -2.723 -0.686 265 HE ARG 34 HE ARG 34 10.554 -1.974 -3.458 266 1HH1 ARG 34 1HH1 ARG 34 11.544 -2.266 -0.114 267 2HH1 ARG 34 2HH1 ARG 34 12.952 -1.260 -0.311 268 1HH2 ARG 34 1HH2 ARG 34 12.416 -0.653 -3.723 269 2HH2 ARG 34 2HH2 ARG 34 13.454 -0.362 -2.353 270 H ASP 35 H ASP 35 6.708 -7.168 -0.654 271 HA ASP 35 HA ASP 35 7.519 -8.902 1.538 272 1HB ASP 35 1HB ASP 35 7.699 -6.487 2.317 273 2HB ASP 35 2HB ASP 35 5.951 -6.392 2.127 274 HA PRO 36 HA PRO 36 3.702 -10.862 0.460 275 1HB PRO 36 1HB PRO 36 3.789 -11.936 3.213 276 2HB PRO 36 2HB PRO 36 3.754 -12.794 1.669 277 1HG PRO 36 1HG PRO 36 5.987 -12.688 3.116 278 2HG PRO 36 2HG PRO 36 6.040 -12.573 1.345 279 1HD PRO 36 1HD PRO 36 6.224 -10.387 3.387 280 2HD PRO 36 2HD PRO 36 7.188 -10.629 1.917 281 H ARG 37 H ARG 37 3.963 -8.558 3.008 282 HA ARG 37 HA ARG 37 1.427 -8.605 4.110 283 1HB ARG 37 1HB ARG 37 3.351 -6.389 3.555 284 2HB ARG 37 2HB ARG 37 1.766 -6.049 4.234 285 1HG ARG 37 1HG ARG 37 2.258 -7.643 6.055 286 2HG ARG 37 2HG ARG 37 3.882 -7.827 5.403 287 1HD ARG 37 1HD ARG 37 2.867 -5.096 5.974 288 2HD ARG 37 2HD ARG 37 3.369 -6.110 7.321 289 HE ARG 37 HE ARG 37 5.336 -6.057 5.260 290 1HH1 ARG 37 1HH1 ARG 37 4.061 -4.254 7.976 291 2HH1 ARG 37 2HH1 ARG 37 5.523 -3.355 8.236 292 1HH2 ARG 37 1HH2 ARG 37 7.293 -4.874 5.624 293 2HH2 ARG 37 2HH2 ARG 37 7.340 -3.684 6.899 294 H TYR 38 H TYR 38 2.409 -7.550 0.909 295 HA TYR 38 HA TYR 38 0.010 -6.129 0.323 296 1HB TYR 38 1HB TYR 38 2.164 -5.800 -0.882 297 2HB TYR 38 2HB TYR 38 1.987 -7.406 -1.581 298 HD1 TYR 38 HD1 TYR 38 1.054 -7.577 -3.689 299 HD2 TYR 38 HD2 TYR 38 0.095 -4.196 -1.291 300 HE1 TYR 38 HE1 TYR 38 -0.221 -6.618 -5.561 301 HE2 TYR 38 HE2 TYR 38 -1.182 -3.229 -3.156 302 HH TYR 38 HH TYR 38 -1.985 -5.026 -5.958 303 H TRP 39 H TRP 39 0.811 -9.444 0.511 304 HA TRP 39 HA TRP 39 -1.448 -10.227 -1.203 305 1HB TRP 39 1HB TRP 39 0.797 -11.982 -0.196 306 2HB TRP 39 2HB TRP 39 -0.386 -12.372 -1.444 307 HD1 TRP 39 HD1 TRP 39 3.039 -11.077 -1.053 308 HE1 TRP 39 HE1 TRP 39 3.889 -10.050 -3.258 309 HE3 TRP 39 HE3 TRP 39 -1.395 -10.813 -3.595 310 HZ2 TRP 39 HZ2 TRP 39 2.823 -9.237 -5.735 311 HZ3 TRP 39 HZ3 TRP 39 -1.391 -9.886 -5.877 312 HH2 TRP 39 HH2 TRP 39 0.680 -9.111 -6.917 313 H MET 40 H MET 40 -0.218 -10.324 2.045 314 HA MET 40 HA MET 40 -1.718 -12.269 3.256 315 1HB MET 40 1HB MET 40 -0.001 -10.656 4.259 316 2HB MET 40 2HB MET 40 -1.336 -9.526 4.440 317 1HG MET 40 1HG MET 40 -2.494 -11.031 5.886 318 2HG MET 40 2HG MET 40 -1.299 -12.287 5.572 319 1HE MET 40 1HE MET 40 1.404 -10.711 5.606 320 2HE MET 40 2HE MET 40 1.204 -12.229 6.481 321 3HE MET 40 3HE MET 40 1.896 -10.827 7.295 322 H VAL 41 H VAL 41 -2.650 -8.900 2.668 323 HA VAL 41 HA VAL 41 -5.461 -9.576 2.947 324 HB VAL 41 HB VAL 41 -4.915 -7.373 3.728 325 1HG1 VAL 41 1HG1 VAL 41 -3.627 -6.898 1.052 326 2HG1 VAL 41 2HG1 VAL 41 -2.821 -6.993 2.619 327 3HG1 VAL 41 3HG1 VAL 41 -3.912 -5.655 2.269 328 1HG2 VAL 41 1HG2 VAL 41 -6.190 -7.023 1.021 329 2HG2 VAL 41 2HG2 VAL 41 -6.380 -5.983 2.434 330 3HG2 VAL 41 3HG2 VAL 41 -7.028 -7.622 2.454 331 H ASP 42 H ASP 42 -6.551 -10.463 1.284 332 HA ASP 42 HA ASP 42 -5.284 -11.125 -1.086 333 1HB ASP 42 1HB ASP 42 -7.607 -11.734 -1.826 334 2HB ASP 42 2HB ASP 42 -7.026 -12.517 -0.386 335 H ASP 43 H ASP 43 -5.714 -10.528 -3.198 336 HA ASP 43 HA ASP 43 -5.178 -7.788 -3.336 337 1HB ASP 43 1HB ASP 43 -4.913 -8.201 -5.761 338 2HB ASP 43 2HB ASP 43 -4.007 -9.318 -4.762 339 H ASP 44 H ASP 44 -6.782 -6.582 -2.737 340 HA ASP 44 HA ASP 44 -8.873 -6.195 -4.724 341 1HB ASP 44 1HB ASP 44 -9.654 -4.564 -2.836 342 2HB ASP 44 2HB ASP 44 -9.910 -6.290 -2.665 343 HA PRO 45 HA PRO 45 -5.672 -3.235 -5.867 344 1HB PRO 45 1HB PRO 45 -7.248 -3.006 -8.321 345 2HB PRO 45 2HB PRO 45 -5.574 -3.492 -8.107 346 1HG PRO 45 1HG PRO 45 -7.450 -5.260 -8.803 347 2HG PRO 45 2HG PRO 45 -6.100 -5.689 -7.733 348 1HD PRO 45 1HD PRO 45 -8.929 -5.031 -7.027 349 2HD PRO 45 2HD PRO 45 -7.875 -6.312 -6.399 350 H LEU 46 H LEU 46 -9.151 -2.783 -6.230 351 HA LEU 46 HA LEU 46 -9.011 0.061 -6.552 352 1HB LEU 46 1HB LEU 46 -10.978 -1.815 -6.858 353 2HB LEU 46 2HB LEU 46 -11.417 -1.164 -5.297 354 HG LEU 46 HG LEU 46 -12.715 -0.053 -6.942 355 1HD1 LEU 46 1HD1 LEU 46 -12.083 2.284 -6.649 356 2HD1 LEU 46 2HD1 LEU 46 -10.496 1.779 -6.066 357 3HD1 LEU 46 3HD1 LEU 46 -11.944 1.374 -5.144 358 1HD2 LEU 46 1HD2 LEU 46 -11.319 -0.561 -8.876 359 2HD2 LEU 46 2HD2 LEU 46 -10.150 0.650 -8.345 360 3HD2 LEU 46 3HD2 LEU 46 -11.776 1.143 -8.825 361 H TRP 47 H TRP 47 -9.355 -2.133 -3.737 362 HA TRP 47 HA TRP 47 -9.620 0.067 -1.918 363 1HB TRP 47 1HB TRP 47 -10.452 -2.116 -1.225 364 2HB TRP 47 2HB TRP 47 -8.827 -2.796 -1.330 365 HD1 TRP 47 HD1 TRP 47 -10.519 0.149 0.565 366 HE1 TRP 47 HE1 TRP 47 -9.532 0.239 2.952 367 HE3 TRP 47 HE3 TRP 47 -7.141 -3.635 0.157 368 HZ2 TRP 47 HZ2 TRP 47 -7.557 -1.123 4.441 369 HZ3 TRP 47 HZ3 TRP 47 -5.723 -4.179 2.102 370 HH2 TRP 47 HH2 TRP 47 -5.928 -2.947 4.195 371 H LYS 48 H LYS 48 -6.928 -1.925 -3.057 372 HA LYS 48 HA LYS 48 -4.956 -0.720 -1.441 373 1HB LYS 48 1HB LYS 48 -4.954 -2.362 -3.905 374 2HB LYS 48 2HB LYS 48 -3.517 -1.390 -3.637 375 1HG LYS 48 1HG LYS 48 -3.435 -3.743 -2.776 376 2HG LYS 48 2HG LYS 48 -3.070 -2.488 -1.587 377 1HD LYS 48 1HD LYS 48 -5.326 -2.613 -0.736 378 2HD LYS 48 2HD LYS 48 -5.740 -3.806 -1.954 379 1HE LYS 48 1HE LYS 48 -3.476 -4.373 -0.106 380 2HE LYS 48 2HE LYS 48 -5.127 -4.519 0.481 381 1HZ LYS 48 1HZ LYS 48 -5.622 -6.090 -1.225 382 2HZ LYS 48 2HZ LYS 48 -4.238 -6.620 -0.398 383 3HZ LYS 48 3HZ LYS 48 -4.089 -5.903 -1.922 384 H LYS 49 H LYS 49 -6.446 0.234 -4.465 385 HA LYS 49 HA LYS 49 -4.606 2.368 -4.919 386 1HB LYS 49 1HB LYS 49 -5.763 2.750 -6.890 387 2HB LYS 49 2HB LYS 49 -6.057 1.045 -6.632 388 1HG LYS 49 1HG LYS 49 -8.253 1.497 -5.784 389 2HG LYS 49 2HG LYS 49 -7.990 3.236 -5.995 390 1HD LYS 49 1HD LYS 49 -9.246 2.219 -7.869 391 2HD LYS 49 2HD LYS 49 -7.723 2.937 -8.354 392 1HE LYS 49 1HE LYS 49 -6.715 0.620 -8.170 393 2HE LYS 49 2HE LYS 49 -8.375 0.033 -8.068 394 1HZ LYS 49 1HZ LYS 49 -7.220 1.610 -10.303 395 2HZ LYS 49 2HZ LYS 49 -8.824 1.076 -10.211 396 3HZ LYS 49 3HZ LYS 49 -7.563 -0.051 -10.331 397 H GLU 50 H GLU 50 -7.822 2.017 -3.524 398 HA GLU 50 HA GLU 50 -8.349 4.770 -3.182 399 1HB GLU 50 1HB GLU 50 -9.508 2.247 -2.190 400 2HB GLU 50 2HB GLU 50 -9.907 3.721 -1.325 401 1HG GLU 50 1HG GLU 50 -10.293 3.247 -4.269 402 2HG GLU 50 2HG GLU 50 -11.545 3.209 -3.039 403 H MET 51 H MET 51 -6.928 2.314 -1.048 404 HA MET 51 HA MET 51 -6.716 4.118 1.152 405 1HB MET 51 1HB MET 51 -5.484 2.367 2.264 406 2HB MET 51 2HB MET 51 -6.861 1.660 1.426 407 1HG MET 51 1HG MET 51 -5.440 0.857 -0.333 408 2HG MET 51 2HG MET 51 -4.041 1.655 0.378 409 1HE MET 51 1HE MET 51 -3.430 1.138 3.023 410 2HE MET 51 2HE MET 51 -3.950 -0.337 3.858 411 3HE MET 51 3HE MET 51 -5.115 0.964 3.548 412 H PHE 52 H PHE 52 -4.760 3.254 -1.591 413 HA PHE 52 HA PHE 52 -2.329 4.465 -0.740 414 1HB PHE 52 1HB PHE 52 -2.409 2.829 -2.570 415 2HB PHE 52 2HB PHE 52 -3.399 3.925 -3.523 416 HD1 PHE 52 HD1 PHE 52 -0.187 4.216 -1.631 417 HD2 PHE 52 HD2 PHE 52 -2.283 4.827 -5.282 418 HE1 PHE 52 HE1 PHE 52 1.848 5.160 -2.640 419 HE2 PHE 52 HE2 PHE 52 -0.255 5.777 -6.297 420 HZ PHE 52 HZ PHE 52 1.816 5.942 -4.973 421 H GLU 53 H GLU 53 -5.179 5.560 -2.490 422 HA GLU 53 HA GLU 53 -4.293 8.193 -3.026 423 1HB GLU 53 1HB GLU 53 -7.053 7.004 -2.683 424 2HB GLU 53 2HB GLU 53 -6.779 8.674 -3.149 425 1HG GLU 53 1HG GLU 53 -5.475 6.542 -4.729 426 2HG GLU 53 2HG GLU 53 -7.204 6.807 -4.936 427 H LYS 54 H LYS 54 -5.711 6.641 -0.232 428 HA LYS 54 HA LYS 54 -6.221 9.049 1.210 429 1HB LYS 54 1HB LYS 54 -7.302 6.867 1.748 430 2HB LYS 54 2HB LYS 54 -5.751 6.290 2.351 431 1HG LYS 54 1HG LYS 54 -6.918 6.984 4.245 432 2HG LYS 54 2HG LYS 54 -5.809 8.326 3.891 433 1HD LYS 54 1HD LYS 54 -7.653 9.434 2.654 434 2HD LYS 54 2HD LYS 54 -8.738 8.145 3.170 435 1HE LYS 54 1HE LYS 54 -8.415 8.737 5.481 436 2HE LYS 54 2HE LYS 54 -7.207 9.937 5.030 437 1HZ LYS 54 1HZ LYS 54 -9.330 10.982 5.466 438 2HZ LYS 54 2HZ LYS 54 -10.086 10.012 4.299 439 3HZ LYS 54 3HZ LYS 54 -8.923 11.157 3.831 440 H TYR 55 H TYR 55 -3.551 6.813 0.937 441 HA TYR 55 HA TYR 55 -2.072 7.933 3.088 442 1HB TYR 55 1HB TYR 55 -1.744 5.623 2.229 443 2HB TYR 55 2HB TYR 55 -1.086 6.288 0.742 444 HD1 TYR 55 HD1 TYR 55 1.188 6.857 0.579 445 HD2 TYR 55 HD2 TYR 55 -0.496 6.056 4.402 446 HE1 TYR 55 HE1 TYR 55 3.435 6.865 1.565 447 HE2 TYR 55 HE2 TYR 55 1.754 6.062 5.397 448 HH TYR 55 HH TYR 55 4.525 7.160 3.681 449 H LEU 56 H LEU 56 -2.435 8.747 -0.273 450 HA LEU 56 HA LEU 56 -0.161 10.532 -0.158 451 1HB LEU 56 1HB LEU 56 -2.122 10.068 -2.399 452 2HB LEU 56 2HB LEU 56 -0.626 10.943 -2.503 453 HG LEU 56 HG LEU 56 -0.973 7.990 -2.111 454 1HD1 LEU 56 1HD1 LEU 56 -1.247 8.770 -4.393 455 2HD1 LEU 56 2HD1 LEU 56 0.253 7.858 -4.223 456 3HD1 LEU 56 3HD1 LEU 56 0.297 9.619 -4.305 457 1HD2 LEU 56 1HD2 LEU 56 0.856 8.741 -0.699 458 2HD2 LEU 56 2HD2 LEU 56 1.572 9.608 -2.062 459 3HD2 LEU 56 3HD2 LEU 56 1.473 7.843 -2.090 460 H SER 57 H SER 57 -3.671 10.661 -0.172 461 HA SER 57 HA SER 57 -3.565 13.579 -0.150 462 1HB SER 57 1HB SER 57 -5.104 12.449 -1.706 463 2HB SER 57 2HB SER 57 -5.985 11.782 -0.334 464 HG SER 57 HG SER 57 -5.547 14.568 -0.604 465 H ASN 58 H ASN 58 -2.787 11.781 2.100 466 HA ASN 58 HA ASN 58 -3.852 13.355 4.204 467 1HB ASN 58 1HB ASN 58 -5.735 11.653 3.739 468 2HB ASN 58 2HB ASN 58 -4.637 10.450 4.383 469 1HD2 ASN 58 1HD2 ASN 58 -4.114 10.460 6.570 470 2HD2 ASN 58 2HD2 ASN 58 -5.028 11.368 7.724 471 H ARG 59 H ARG 59 -2.800 9.986 3.793 472 HA ARG 59 HA ARG 59 -1.182 8.751 4.788 473 1HB ARG 59 1HB ARG 59 0.384 10.328 3.734 474 2HB ARG 59 2HB ARG 59 0.240 11.408 5.115 475 1HG ARG 59 1HG ARG 59 1.184 9.617 6.548 476 2HG ARG 59 2HG ARG 59 1.434 8.642 5.099 477 1HD ARG 59 1HD ARG 59 2.556 11.414 5.364 478 2HD ARG 59 2HD ARG 59 3.412 10.005 5.986 479 HE ARG 59 HE ARG 59 3.077 9.220 3.509 480 1HH1 ARG 59 1HH1 ARG 59 3.730 12.490 4.563 481 2HH1 ARG 59 2HH1 ARG 59 4.796 12.843 3.237 482 1HH2 ARG 59 1HH2 ARG 59 4.491 9.679 1.749 483 2HH2 ARG 59 2HH2 ARG 59 5.226 11.255 1.642 Start of MODEL 5 1 1H GLY 1 1H GLY 1 -14.257 -5.397 9.113 2 2H GLY 1 2H GLY 1 -13.742 -4.396 7.846 3 3H GLY 1 3H GLY 1 -12.920 -4.379 9.329 4 1HA GLY 1 1HA GLY 1 -12.239 -6.678 8.999 5 2HA GLY 1 2HA GLY 1 -13.055 -6.666 7.443 6 H ALA 2 H ALA 2 -10.310 -7.226 7.845 7 HA ALA 2 HA ALA 2 -8.304 -6.815 6.874 8 1HB ALA 2 1HB ALA 2 -9.616 -6.471 4.844 9 2HB ALA 2 2HB ALA 2 -8.208 -5.409 4.885 10 3HB ALA 2 3HB ALA 2 -9.809 -4.767 5.251 11 H MET 3 H MET 3 -9.218 -5.301 9.231 12 HA MET 3 HA MET 3 -8.212 -2.677 9.208 13 1HB MET 3 1HB MET 3 -9.801 -3.845 10.870 14 2HB MET 3 2HB MET 3 -8.343 -4.491 11.609 15 1HG MET 3 1HG MET 3 -7.535 -2.187 11.928 16 2HG MET 3 2HG MET 3 -9.067 -1.616 11.270 17 1HE MET 3 1HE MET 3 -9.390 -0.774 15.093 18 2HE MET 3 2HE MET 3 -9.421 -0.128 13.451 19 3HE MET 3 3HE MET 3 -7.908 -0.722 14.136 20 H GLU 4 H GLU 4 -6.931 -5.745 10.410 21 HA GLU 4 HA GLU 4 -4.398 -4.845 11.190 22 1HB GLU 4 1HB GLU 4 -5.106 -7.575 10.211 23 2HB GLU 4 2HB GLU 4 -3.796 -7.144 11.301 24 1HG GLU 4 1HG GLU 4 -5.212 -7.672 12.917 25 2HG GLU 4 2HG GLU 4 -5.964 -6.124 12.586 26 H ALA 5 H ALA 5 -5.595 -6.296 8.214 27 HA ALA 5 HA ALA 5 -3.205 -6.370 6.772 28 1HB ALA 5 1HB ALA 5 -5.197 -7.544 6.045 29 2HB ALA 5 2HB ALA 5 -4.632 -6.452 4.780 30 3HB ALA 5 3HB ALA 5 -6.024 -6.010 5.767 31 H GLU 6 H GLU 6 -5.705 -3.816 6.954 32 HA GLU 6 HA GLU 6 -4.538 -1.994 5.186 33 1HB GLU 6 1HB GLU 6 -6.769 -1.760 6.295 34 2HB GLU 6 2HB GLU 6 -5.944 -1.282 7.758 35 1HG GLU 6 1HG GLU 6 -4.879 0.565 6.411 36 2HG GLU 6 2HG GLU 6 -6.030 0.170 5.139 37 H LYS 7 H LYS 7 -4.242 -2.174 8.689 38 HA LYS 7 HA LYS 7 -2.395 -0.183 9.142 39 1HB LYS 7 1HB LYS 7 -3.568 -1.816 10.812 40 2HB LYS 7 2HB LYS 7 -2.096 -2.751 10.614 41 1HG LYS 7 1HG LYS 7 -1.088 -0.306 11.046 42 2HG LYS 7 2HG LYS 7 -2.529 -0.260 12.057 43 1HD LYS 7 1HD LYS 7 -0.706 -1.070 13.381 44 2HD LYS 7 2HD LYS 7 -1.785 -2.429 13.048 45 1HE LYS 7 1HE LYS 7 -0.323 -3.102 11.190 46 2HE LYS 7 2HE LYS 7 0.763 -1.773 11.584 47 1HZ LYS 7 1HZ LYS 7 0.091 -3.940 13.496 48 2HZ LYS 7 2HZ LYS 7 1.289 -2.750 13.660 49 3HZ LYS 7 3HZ LYS 7 1.451 -3.963 12.483 50 H GLU 8 H GLU 8 -1.659 -3.597 8.432 51 HA GLU 8 HA GLU 8 1.134 -3.333 8.402 52 1HB GLU 8 1HB GLU 8 -0.657 -5.274 6.935 53 2HB GLU 8 2HB GLU 8 1.093 -5.415 7.004 54 1HG GLU 8 1HG GLU 8 -0.778 -5.497 9.358 55 2HG GLU 8 2HG GLU 8 0.014 -6.883 8.607 56 H PHE 9 H PHE 9 -1.266 -2.903 5.887 57 HA PHE 9 HA PHE 9 0.526 -2.714 3.696 58 1HB PHE 9 1HB PHE 9 -1.958 -3.213 3.655 59 2HB PHE 9 2HB PHE 9 -2.242 -1.508 3.965 60 HD1 PHE 9 HD1 PHE 9 -1.679 -4.019 1.515 61 HD2 PHE 9 HD2 PHE 9 -1.397 0.167 2.225 62 HE1 PHE 9 HE1 PHE 9 -1.730 -3.607 -0.907 63 HE2 PHE 9 HE2 PHE 9 -1.443 0.584 -0.200 64 HZ PHE 9 HZ PHE 9 -1.634 -1.308 -1.770 65 H ILE 10 H ILE 10 -0.937 -0.307 5.843 66 HA ILE 10 HA ILE 10 0.099 1.932 4.389 67 HB ILE 10 HB ILE 10 -0.900 1.821 7.236 68 1HG1 ILE 10 1HG1 ILE 10 -2.564 1.027 5.592 69 2HG1 ILE 10 2HG1 ILE 10 -3.037 2.540 6.347 70 1HG2 ILE 10 1HG2 ILE 10 -1.306 4.227 6.948 71 2HG2 ILE 10 2HG2 ILE 10 -0.541 4.153 5.354 72 3HG2 ILE 10 3HG2 ILE 10 0.408 3.815 6.809 73 1HD1 ILE 10 1HD1 ILE 10 -2.321 3.757 4.357 74 2HD1 ILE 10 2HD1 ILE 10 -3.543 2.543 3.976 75 3HD1 ILE 10 3HD1 ILE 10 -1.848 2.234 3.603 76 H THR 11 H THR 11 1.098 0.070 7.187 77 HA THR 11 HA THR 11 3.329 1.710 7.852 78 HB THR 11 HB THR 11 2.965 -1.219 8.515 79 HG1 THR 11 HG1 THR 11 1.169 -0.284 9.346 80 1HG2 THR 11 1HG2 THR 11 4.313 -0.665 10.490 81 2HG2 THR 11 2HG2 THR 11 4.490 0.989 9.905 82 3HG2 THR 11 3HG2 THR 11 5.198 -0.347 8.999 83 H MET 12 H MET 12 2.789 -0.849 5.607 84 HA MET 12 HA MET 12 5.529 -1.433 5.047 85 1HB MET 12 1HB MET 12 4.145 -3.220 4.477 86 2HB MET 12 2HB MET 12 2.874 -2.176 3.859 87 1HG MET 12 1HG MET 12 4.139 -1.726 1.878 88 2HG MET 12 2HG MET 12 5.513 -2.649 2.490 89 1HE MET 12 1HE MET 12 1.995 -2.684 0.903 90 2HE MET 12 2HE MET 12 1.602 -3.376 2.475 91 3HE MET 12 3HE MET 12 1.498 -4.371 1.025 92 H LEU 13 H LEU 13 3.013 0.661 3.850 93 HA LEU 13 HA LEU 13 4.406 1.562 1.582 94 1HB LEU 13 1HB LEU 13 2.092 2.630 3.148 95 2HB LEU 13 2HB LEU 13 2.803 3.585 1.863 96 HG LEU 13 HG LEU 13 0.792 1.636 1.628 97 1HD1 LEU 13 1HD1 LEU 13 0.899 2.234 -0.735 98 2HD1 LEU 13 2HD1 LEU 13 2.475 2.983 -0.470 99 3HD1 LEU 13 3HD1 LEU 13 1.038 3.659 0.299 100 1HD2 LEU 13 1HD2 LEU 13 3.353 0.727 0.313 101 2HD2 LEU 13 2HD2 LEU 13 1.746 0.088 -0.032 102 3HD2 LEU 13 3HD2 LEU 13 2.461 -0.135 1.566 103 H LYS 14 H LYS 14 4.204 2.670 4.914 104 HA LYS 14 HA LYS 14 5.790 4.978 4.596 105 1HB LYS 14 1HB LYS 14 4.917 3.351 6.903 106 2HB LYS 14 2HB LYS 14 6.180 4.559 7.132 107 1HG LYS 14 1HG LYS 14 4.746 6.294 6.754 108 2HG LYS 14 2HG LYS 14 3.681 5.319 5.727 109 1HD LYS 14 1HD LYS 14 3.295 3.958 7.797 110 2HD LYS 14 2HD LYS 14 3.903 5.349 8.695 111 1HE LYS 14 1HE LYS 14 2.204 6.744 7.547 112 2HE LYS 14 2HE LYS 14 1.584 5.276 6.787 113 1HZ LYS 14 1HZ LYS 14 0.262 5.847 8.708 114 2HZ LYS 14 2HZ LYS 14 1.636 5.852 9.703 115 3HZ LYS 14 3HZ LYS 14 1.096 4.400 9.012 116 H GLU 15 H GLU 15 6.534 1.649 5.530 117 HA GLU 15 HA GLU 15 9.245 2.046 6.067 118 1HB GLU 15 1HB GLU 15 7.440 -0.243 5.649 119 2HB GLU 15 2HB GLU 15 9.156 -0.549 5.535 120 1HG GLU 15 1HG GLU 15 9.415 0.489 7.748 121 2HG GLU 15 2HG GLU 15 7.671 0.633 7.858 122 H ASN 16 H ASN 16 7.522 1.432 3.083 123 HA ASN 16 HA ASN 16 10.027 1.078 1.634 124 1HB ASN 16 1HB ASN 16 7.134 0.874 0.853 125 2HB ASN 16 2HB ASN 16 8.397 0.976 -0.374 126 1HD2 ASN 16 1HD2 ASN 16 6.998 -0.945 2.147 127 2HD2 ASN 16 2HD2 ASN 16 7.838 -2.417 1.778 128 H GLN 17 H GLN 17 8.771 3.627 2.925 129 HA GLN 17 HA GLN 17 8.853 5.846 2.622 130 1HB GLN 17 1HB GLN 17 11.025 4.798 0.904 131 2HB GLN 17 2HB GLN 17 10.702 6.532 0.914 132 1HG GLN 17 1HG GLN 17 11.178 4.891 3.380 133 2HG GLN 17 2HG GLN 17 12.460 5.757 2.527 134 1HE2 GLN 17 1HE2 GLN 17 12.538 7.991 2.662 135 2HE2 GLN 17 2HE2 GLN 17 11.603 8.888 3.815 136 H VAL 18 H VAL 18 6.873 4.447 1.084 137 HA VAL 18 HA VAL 18 6.707 5.433 -1.563 138 HB VAL 18 HB VAL 18 4.464 4.552 0.265 139 1HG1 VAL 18 1HG1 VAL 18 4.562 4.788 -2.744 140 2HG1 VAL 18 2HG1 VAL 18 3.654 5.834 -1.640 141 3HG1 VAL 18 3HG1 VAL 18 3.217 4.124 -1.798 142 1HG2 VAL 18 1HG2 VAL 18 4.676 2.381 -0.852 143 2HG2 VAL 18 2HG2 VAL 18 6.148 2.817 0.015 144 3HG2 VAL 18 3HG2 VAL 18 6.077 2.979 -1.739 145 H ASP 19 H ASP 19 6.105 7.380 -2.302 146 HA ASP 19 HA ASP 19 4.404 9.058 -0.630 147 1HB ASP 19 1HB ASP 19 5.751 10.982 -0.752 148 2HB ASP 19 2HB ASP 19 6.870 9.693 -0.354 149 H SER 20 H SER 20 4.496 11.305 -2.256 150 HA SER 20 HA SER 20 2.502 10.750 -4.110 151 1HB SER 20 1HB SER 20 3.247 13.085 -5.008 152 2HB SER 20 2HB SER 20 2.602 12.947 -3.372 153 HG SER 20 HG SER 20 5.300 12.516 -3.457 154 H THR 21 H THR 21 5.987 10.620 -4.517 155 HA THR 21 HA THR 21 5.950 10.854 -7.376 156 HB THR 21 HB THR 21 8.313 10.172 -7.283 157 HG1 THR 21 HG1 THR 21 8.035 10.010 -4.447 158 1HG2 THR 21 1HG2 THR 21 7.549 12.203 -5.181 159 2HG2 THR 21 2HG2 THR 21 7.735 12.515 -6.906 160 3HG2 THR 21 3HG2 THR 21 9.136 12.056 -5.937 161 H TRP 22 H TRP 22 5.005 8.386 -5.368 162 HA TRP 22 HA TRP 22 5.944 6.202 -7.042 163 1HB TRP 22 1HB TRP 22 4.518 6.420 -4.449 164 2HB TRP 22 2HB TRP 22 4.368 4.935 -5.357 165 HD1 TRP 22 HD1 TRP 22 7.381 7.156 -4.237 166 HE1 TRP 22 HE1 TRP 22 9.194 5.560 -3.327 167 HE3 TRP 22 HE3 TRP 22 4.991 2.730 -4.952 168 HZ2 TRP 22 HZ2 TRP 22 9.511 2.744 -2.976 169 HZ3 TRP 22 HZ3 TRP 22 6.067 0.652 -4.295 170 HH2 TRP 22 HH2 TRP 22 8.274 0.662 -3.340 171 H SER 23 H SER 23 4.848 5.539 -8.746 172 HA SER 23 HA SER 23 2.010 5.982 -9.046 173 1HB SER 23 1HB SER 23 3.414 6.015 -11.030 174 2HB SER 23 2HB SER 23 4.018 4.410 -10.648 175 HG SER 23 HG SER 23 2.187 4.752 -12.262 176 H PHE 24 H PHE 24 0.453 4.134 -9.162 177 HA PHE 24 HA PHE 24 1.054 2.204 -7.073 178 1HB PHE 24 1HB PHE 24 -1.135 3.282 -7.306 179 2HB PHE 24 2HB PHE 24 -1.336 2.588 -8.898 180 HD1 PHE 24 HD1 PHE 24 -2.338 0.519 -9.177 181 HD2 PHE 24 HD2 PHE 24 -1.051 1.724 -5.308 182 HE1 PHE 24 HE1 PHE 24 -3.523 -1.398 -8.196 183 HE2 PHE 24 HE2 PHE 24 -2.226 -0.196 -4.316 184 HZ PHE 24 HZ PHE 24 -3.476 -1.755 -5.762 185 H SER 25 H SER 25 2.121 2.401 -9.958 186 HA SER 25 HA SER 25 1.889 -0.378 -10.775 187 1HB SER 25 1HB SER 25 1.964 1.542 -12.426 188 2HB SER 25 2HB SER 25 3.632 1.815 -11.935 189 HG SER 25 HG SER 25 2.908 0.299 -13.833 190 H ARG 26 H ARG 26 3.934 1.868 -9.157 191 HA ARG 26 HA ARG 26 6.292 0.271 -9.086 192 1HB ARG 26 1HB ARG 26 6.126 2.802 -8.795 193 2HB ARG 26 2HB ARG 26 5.551 2.466 -7.176 194 1HG ARG 26 1HG ARG 26 7.615 1.362 -6.653 195 2HG ARG 26 2HG ARG 26 8.176 1.598 -8.311 196 1HD ARG 26 1HD ARG 26 7.818 4.071 -7.928 197 2HD ARG 26 2HD ARG 26 7.610 3.669 -6.234 198 HE ARG 26 HE ARG 26 9.952 2.456 -7.032 199 1HH1 ARG 26 1HH1 ARG 26 8.729 5.734 -6.846 200 2HH1 ARG 26 2HH1 ARG 26 10.258 6.431 -6.415 201 1HH2 ARG 26 1HH2 ARG 26 11.983 3.367 -6.446 202 2HH2 ARG 26 2HH2 ARG 26 12.110 5.090 -6.193 203 H ILE 27 H ILE 27 3.552 0.858 -6.954 204 HA ILE 27 HA ILE 27 4.401 -0.714 -4.758 205 HB ILE 27 HB ILE 27 1.595 -0.136 -5.772 206 1HG1 ILE 27 1HG1 ILE 27 3.272 1.168 -3.617 207 2HG1 ILE 27 2HG1 ILE 27 2.865 1.870 -5.179 208 1HG2 ILE 27 1HG2 ILE 27 0.862 -0.723 -3.489 209 2HG2 ILE 27 2HG2 ILE 27 2.502 -1.257 -3.122 210 3HG2 ILE 27 3HG2 ILE 27 1.557 -2.095 -4.352 211 1HD1 ILE 27 1HD1 ILE 27 1.504 2.768 -3.357 212 2HD1 ILE 27 2HD1 ILE 27 0.889 1.144 -3.037 213 3HD1 ILE 27 3HD1 ILE 27 0.535 1.936 -4.572 214 H ILE 28 H ILE 28 2.247 -1.544 -7.548 215 HA ILE 28 HA ILE 28 2.045 -4.275 -6.885 216 HB ILE 28 HB ILE 28 1.902 -2.987 -9.622 217 1HG1 ILE 28 1HG1 ILE 28 -0.284 -3.781 -7.686 218 2HG1 ILE 28 2HG1 ILE 28 0.264 -2.134 -7.982 219 1HG2 ILE 28 1HG2 ILE 28 0.969 -5.714 -8.728 220 2HG2 ILE 28 2HG2 ILE 28 2.326 -5.380 -9.801 221 3HG2 ILE 28 3HG2 ILE 28 0.685 -4.994 -10.312 222 1HD1 ILE 28 1HD1 ILE 28 -1.788 -2.573 -9.164 223 2HD1 ILE 28 2HD1 ILE 28 -1.058 -3.961 -9.973 224 3HD1 ILE 28 3HD1 ILE 28 -0.470 -2.332 -10.311 225 H SER 29 H SER 29 4.473 -2.557 -8.838 226 HA SER 29 HA SER 29 5.626 -4.992 -9.815 227 1HB SER 29 1HB SER 29 5.589 -2.763 -11.018 228 2HB SER 29 2HB SER 29 6.867 -2.248 -9.923 229 HG SER 29 HG SER 29 7.069 -4.607 -11.477 230 H GLU 30 H GLU 30 6.530 -2.662 -7.261 231 HA GLU 30 HA GLU 30 8.876 -4.353 -6.733 232 1HB GLU 30 1HB GLU 30 8.358 -1.607 -5.597 233 2HB GLU 30 2HB GLU 30 9.876 -2.488 -5.623 234 1HG GLU 30 1HG GLU 30 9.623 -2.340 -8.195 235 2HG GLU 30 2HG GLU 30 8.484 -1.052 -7.835 236 H LEU 31 H LEU 31 5.981 -3.016 -5.196 237 HA LEU 31 HA LEU 31 6.900 -3.730 -2.561 238 1HB LEU 31 1HB LEU 31 4.563 -2.334 -3.684 239 2HB LEU 31 2HB LEU 31 4.270 -3.211 -2.194 240 HG LEU 31 HG LEU 31 5.704 -1.874 -0.974 241 1HD1 LEU 31 1HD1 LEU 31 6.955 -0.949 -3.537 242 2HD1 LEU 31 2HD1 LEU 31 7.661 -2.072 -2.376 243 3HD1 LEU 31 3HD1 LEU 31 7.393 -0.389 -1.924 244 1HD2 LEU 31 1HD2 LEU 31 3.734 -0.633 -1.640 245 2HD2 LEU 31 2HD2 LEU 31 4.586 -0.043 -3.067 246 3HD2 LEU 31 3HD2 LEU 31 5.127 0.434 -1.458 247 H GLY 32 H GLY 32 4.807 -5.121 -4.963 248 1HA GLY 32 1HA GLY 32 3.574 -7.103 -3.444 249 2HA GLY 32 2HA GLY 32 3.975 -7.247 -5.153 250 H THR 33 H THR 33 6.855 -6.902 -4.705 251 HA THR 33 HA THR 33 7.376 -9.619 -3.757 252 HB THR 33 HB THR 33 7.962 -9.269 -6.077 253 HG1 THR 33 HG1 THR 33 10.400 -9.406 -4.609 254 1HG2 THR 33 1HG2 THR 33 9.850 -7.164 -5.042 255 2HG2 THR 33 2HG2 THR 33 8.413 -6.885 -6.030 256 3HG2 THR 33 3HG2 THR 33 9.794 -7.758 -6.705 257 H ARG 34 H ARG 34 8.033 -6.314 -3.022 258 HA ARG 34 HA ARG 34 10.447 -6.763 -1.567 259 1HB ARG 34 1HB ARG 34 8.568 -4.466 -1.702 260 2HB ARG 34 2HB ARG 34 9.873 -4.498 -0.529 261 1HG ARG 34 1HG ARG 34 11.407 -4.923 -2.526 262 2HG ARG 34 2HG ARG 34 10.037 -4.414 -3.518 263 1HD ARG 34 1HD ARG 34 9.945 -2.384 -1.981 264 2HD ARG 34 2HD ARG 34 11.563 -2.846 -1.473 265 HE ARG 34 HE ARG 34 10.843 -1.556 -3.911 266 1HH1 ARG 34 1HH1 ARG 34 13.129 -3.822 -2.509 267 2HH1 ARG 34 2HH1 ARG 34 14.361 -3.507 -3.692 268 1HH2 ARG 34 1HH2 ARG 34 12.476 -1.181 -5.511 269 2HH2 ARG 34 2HH2 ARG 34 13.992 -2.026 -5.387 270 H ASP 35 H ASP 35 7.036 -6.798 -0.757 271 HA ASP 35 HA ASP 35 7.721 -7.790 1.898 272 1HB ASP 35 1HB ASP 35 7.495 -5.230 1.890 273 2HB ASP 35 2HB ASP 35 5.776 -5.504 1.646 274 HA PRO 36 HA PRO 36 4.261 -10.381 0.854 275 1HB PRO 36 1HB PRO 36 4.427 -11.242 3.658 276 2HB PRO 36 2HB PRO 36 4.660 -12.177 2.180 277 1HG PRO 36 1HG PRO 36 6.716 -11.550 3.786 278 2HG PRO 36 2HG PRO 36 6.894 -11.630 2.022 279 1HD PRO 36 1HD PRO 36 6.567 -9.224 3.785 280 2HD PRO 36 2HD PRO 36 7.661 -9.467 2.405 281 H ARG 37 H ARG 37 4.288 -7.841 3.117 282 HA ARG 37 HA ARG 37 1.779 -8.116 4.325 283 1HB ARG 37 1HB ARG 37 3.493 -5.766 3.684 284 2HB ARG 37 2HB ARG 37 1.895 -5.554 4.379 285 1HG ARG 37 1HG ARG 37 2.470 -6.769 6.318 286 2HG ARG 37 2HG ARG 37 3.982 -7.306 5.599 287 1HD ARG 37 1HD ARG 37 4.802 -5.060 5.574 288 2HD ARG 37 2HD ARG 37 3.265 -4.462 6.182 289 HE ARG 37 HE ARG 37 3.747 -5.691 8.262 290 1HH1 ARG 37 1HH1 ARG 37 6.425 -5.041 6.072 291 2HH1 ARG 37 2HH1 ARG 37 7.610 -5.030 7.346 292 1HH2 ARG 37 1HH2 ARG 37 5.343 -5.712 9.915 293 2HH2 ARG 37 2HH2 ARG 37 7.006 -5.418 9.503 294 H TYR 38 H TYR 38 2.647 -7.186 1.081 295 HA TYR 38 HA TYR 38 0.188 -5.957 0.375 296 1HB TYR 38 1HB TYR 38 2.333 -5.776 -0.923 297 2HB TYR 38 2HB TYR 38 2.110 -7.445 -1.433 298 HD1 TYR 38 HD1 TYR 38 0.542 -8.018 -3.151 299 HD2 TYR 38 HD2 TYR 38 0.793 -4.019 -1.724 300 HE1 TYR 38 HE1 TYR 38 -0.835 -7.263 -5.042 301 HE2 TYR 38 HE2 TYR 38 -0.582 -3.252 -3.614 302 HH TYR 38 HH TYR 38 -2.430 -5.248 -5.456 303 H TRP 39 H TRP 39 1.161 -9.182 0.935 304 HA TRP 39 HA TRP 39 -1.079 -10.310 -0.564 305 1HB TRP 39 1HB TRP 39 1.210 -11.731 0.798 306 2HB TRP 39 2HB TRP 39 0.018 -12.456 -0.279 307 HD1 TRP 39 HD1 TRP 39 3.429 -11.362 -0.405 308 HE1 TRP 39 HE1 TRP 39 4.163 -10.703 -2.789 309 HE3 TRP 39 HE3 TRP 39 -1.176 -10.970 -2.592 310 HZ2 TRP 39 HZ2 TRP 39 2.940 -10.091 -5.260 311 HZ3 TRP 39 HZ3 TRP 39 -1.309 -10.334 -4.962 312 HH2 TRP 39 HH2 TRP 39 0.712 -9.906 -6.267 313 H MET 40 H MET 40 -0.125 -9.523 2.616 314 HA MET 40 HA MET 40 -1.471 -11.288 4.246 315 1HB MET 40 1HB MET 40 -1.161 -8.296 4.462 316 2HB MET 40 2HB MET 40 -1.923 -9.254 5.722 317 1HG MET 40 1HG MET 40 0.880 -9.657 4.713 318 2HG MET 40 2HG MET 40 0.446 -8.756 6.166 319 1HE MET 40 1HE MET 40 -0.735 -9.872 8.289 320 2HE MET 40 2HE MET 40 -1.155 -11.580 8.380 321 3HE MET 40 3HE MET 40 -1.995 -10.529 7.243 322 H VAL 41 H VAL 41 -2.759 -8.603 2.403 323 HA VAL 41 HA VAL 41 -5.470 -9.653 2.835 324 HB VAL 41 HB VAL 41 -5.339 -7.359 3.571 325 1HG1 VAL 41 1HG1 VAL 41 -4.227 -6.670 0.862 326 2HG1 VAL 41 2HG1 VAL 41 -3.317 -6.702 2.370 327 3HG1 VAL 41 3HG1 VAL 41 -4.613 -5.529 2.150 328 1HG2 VAL 41 1HG2 VAL 41 -6.964 -6.274 2.078 329 2HG2 VAL 41 2HG2 VAL 41 -7.381 -7.952 2.432 330 3HG2 VAL 41 3HG2 VAL 41 -6.664 -7.531 0.874 331 H ASP 42 H ASP 42 -6.470 -10.541 1.085 332 HA ASP 42 HA ASP 42 -5.117 -10.955 -1.307 333 1HB ASP 42 1HB ASP 42 -7.537 -11.477 -2.101 334 2HB ASP 42 2HB ASP 42 -6.751 -12.524 -0.952 335 H ASP 43 H ASP 43 -5.532 -10.123 -3.381 336 HA ASP 43 HA ASP 43 -5.226 -7.293 -2.987 337 1HB ASP 43 1HB ASP 43 -3.663 -8.678 -4.374 338 2HB ASP 43 2HB ASP 43 -4.932 -8.783 -5.590 339 H ASP 44 H ASP 44 -7.175 -6.358 -2.685 340 HA ASP 44 HA ASP 44 -8.962 -6.221 -4.996 341 1HB ASP 44 1HB ASP 44 -9.837 -6.254 -2.597 342 2HB ASP 44 2HB ASP 44 -9.141 -4.645 -2.406 343 HA PRO 45 HA PRO 45 -5.918 -3.106 -6.218 344 1HB PRO 45 1HB PRO 45 -7.592 -3.071 -8.636 345 2HB PRO 45 2HB PRO 45 -5.863 -3.335 -8.472 346 1HG PRO 45 1HG PRO 45 -7.459 -5.357 -9.064 347 2HG PRO 45 2HG PRO 45 -6.102 -5.563 -7.936 348 1HD PRO 45 1HD PRO 45 -9.010 -5.202 -7.339 349 2HD PRO 45 2HD PRO 45 -7.843 -6.334 -6.629 350 H LEU 46 H LEU 46 -9.416 -2.830 -6.432 351 HA LEU 46 HA LEU 46 -9.410 -0.026 -6.964 352 1HB LEU 46 1HB LEU 46 -11.280 -1.828 -7.298 353 2HB LEU 46 2HB LEU 46 -11.678 -1.451 -5.640 354 HG LEU 46 HG LEU 46 -13.053 -0.260 -7.358 355 1HD1 LEU 46 1HD1 LEU 46 -11.439 1.481 -5.504 356 2HD1 LEU 46 2HD1 LEU 46 -12.908 0.595 -5.091 357 3HD1 LEU 46 3HD1 LEU 46 -12.974 1.920 -6.253 358 1HD2 LEU 46 1HD2 LEU 46 -11.317 0.138 -9.006 359 2HD2 LEU 46 2HD2 LEU 46 -10.468 1.197 -7.879 360 3HD2 LEU 46 3HD2 LEU 46 -12.053 1.659 -8.500 361 H TRP 47 H TRP 47 -9.653 -2.038 -4.065 362 HA TRP 47 HA TRP 47 -9.885 0.203 -2.292 363 1HB TRP 47 1HB TRP 47 -10.763 -1.912 -1.549 364 2HB TRP 47 2HB TRP 47 -9.199 -2.688 -1.771 365 HD1 TRP 47 HD1 TRP 47 -10.585 0.252 0.376 366 HE1 TRP 47 HE1 TRP 47 -9.450 0.139 2.690 367 HE3 TRP 47 HE3 TRP 47 -7.543 -3.727 -0.457 368 HZ2 TRP 47 HZ2 TRP 47 -7.504 -1.468 3.991 369 HZ3 TRP 47 HZ3 TRP 47 -6.078 -4.515 1.363 370 HH2 TRP 47 HH2 TRP 47 -6.058 -3.402 3.539 371 H LYS 48 H LYS 48 -7.212 -1.816 -3.445 372 HA LYS 48 HA LYS 48 -5.237 -0.692 -1.778 373 1HB LYS 48 1HB LYS 48 -5.260 -2.306 -4.234 374 2HB LYS 48 2HB LYS 48 -3.841 -1.291 -4.052 375 1HG LYS 48 1HG LYS 48 -3.448 -3.509 -3.167 376 2HG LYS 48 2HG LYS 48 -3.413 -2.311 -1.870 377 1HD LYS 48 1HD LYS 48 -5.601 -2.900 -1.167 378 2HD LYS 48 2HD LYS 48 -5.828 -3.945 -2.572 379 1HE LYS 48 1HE LYS 48 -3.985 -4.366 -0.236 380 2HE LYS 48 2HE LYS 48 -5.356 -5.359 -0.718 381 1HZ LYS 48 1HZ LYS 48 -2.727 -5.116 -2.050 382 2HZ LYS 48 2HZ LYS 48 -4.065 -5.766 -2.851 383 3HZ LYS 48 3HZ LYS 48 -3.468 -6.514 -1.446 384 H LYS 49 H LYS 49 -6.606 0.362 -4.845 385 HA LYS 49 HA LYS 49 -4.762 2.510 -5.150 386 1HB LYS 49 1HB LYS 49 -7.374 1.792 -6.458 387 2HB LYS 49 2HB LYS 49 -6.593 3.336 -6.781 388 1HG LYS 49 1HG LYS 49 -4.603 2.155 -7.556 389 2HG LYS 49 2HG LYS 49 -5.400 0.616 -7.222 390 1HD LYS 49 1HD LYS 49 -7.256 1.856 -8.772 391 2HD LYS 49 2HD LYS 49 -5.749 2.474 -9.463 392 1HE LYS 49 1HE LYS 49 -4.924 0.155 -9.636 393 2HE LYS 49 2HE LYS 49 -6.482 -0.409 -9.031 394 1HZ LYS 49 1HZ LYS 49 -7.496 0.756 -10.986 395 2HZ LYS 49 2HZ LYS 49 -6.539 -0.589 -11.366 396 3HZ LYS 49 3HZ LYS 49 -5.926 0.975 -11.596 397 H GLU 50 H GLU 50 -7.999 2.142 -3.797 398 HA GLU 50 HA GLU 50 -8.521 4.842 -3.240 399 1HB GLU 50 1HB GLU 50 -9.484 2.270 -2.055 400 2HB GLU 50 2HB GLU 50 -9.985 3.801 -1.369 401 1HG GLU 50 1HG GLU 50 -10.783 4.426 -3.682 402 2HG GLU 50 2HG GLU 50 -10.525 2.736 -4.119 403 H MET 51 H MET 51 -6.998 2.319 -1.272 404 HA MET 51 HA MET 51 -6.706 4.023 0.993 405 1HB MET 51 1HB MET 51 -5.452 2.179 1.978 406 2HB MET 51 2HB MET 51 -6.923 1.592 1.221 407 1HG MET 51 1HG MET 51 -5.640 0.835 -0.705 408 2HG MET 51 2HG MET 51 -4.160 1.425 0.037 409 1HE MET 51 1HE MET 51 -4.410 -0.862 3.391 410 2HE MET 51 2HE MET 51 -5.308 0.642 3.119 411 3HE MET 51 3HE MET 51 -3.587 0.547 2.701 412 H PHE 52 H PHE 52 -4.884 3.369 -1.860 413 HA PHE 52 HA PHE 52 -2.396 4.422 -0.902 414 1HB PHE 52 1HB PHE 52 -2.466 2.846 -2.773 415 2HB PHE 52 2HB PHE 52 -3.408 3.989 -3.719 416 HD1 PHE 52 HD1 PHE 52 -2.130 4.707 -5.491 417 HD2 PHE 52 HD2 PHE 52 -0.342 4.418 -1.639 418 HE1 PHE 52 HE1 PHE 52 -0.057 5.690 -6.381 419 HE2 PHE 52 HE2 PHE 52 1.731 5.398 -2.527 420 HZ PHE 52 HZ PHE 52 1.877 6.032 -4.898 421 H GLU 53 H GLU 53 -5.163 5.703 -2.725 422 HA GLU 53 HA GLU 53 -4.048 8.268 -3.153 423 1HB GLU 53 1HB GLU 53 -6.909 7.346 -3.039 424 2HB GLU 53 2HB GLU 53 -6.423 8.978 -3.482 425 1HG GLU 53 1HG GLU 53 -5.734 6.430 -4.912 426 2HG GLU 53 2HG GLU 53 -6.798 7.711 -5.457 427 H LYS 54 H LYS 54 -5.868 6.819 -0.531 428 HA LYS 54 HA LYS 54 -6.111 9.194 0.996 429 1HB LYS 54 1HB LYS 54 -7.621 7.626 1.633 430 2HB LYS 54 2HB LYS 54 -6.461 6.337 1.572 431 1HG LYS 54 1HG LYS 54 -5.604 6.783 3.633 432 2HG LYS 54 2HG LYS 54 -6.139 8.475 3.599 433 1HD LYS 54 1HD LYS 54 -8.477 7.376 3.373 434 2HD LYS 54 2HD LYS 54 -7.688 5.979 4.107 435 1HE LYS 54 1HE LYS 54 -7.007 7.335 6.001 436 2HE LYS 54 2HE LYS 54 -7.740 8.753 5.254 437 1HZ LYS 54 1HZ LYS 54 -9.901 7.695 5.415 438 2HZ LYS 54 2HZ LYS 54 -9.184 7.777 6.948 439 3HZ LYS 54 3HZ LYS 54 -9.206 6.310 6.100 440 H TYR 55 H TYR 55 -3.739 6.606 0.845 441 HA TYR 55 HA TYR 55 -2.234 7.413 3.071 442 1HB TYR 55 1HB TYR 55 -1.829 5.253 2.093 443 2HB TYR 55 2HB TYR 55 -1.420 5.970 0.540 444 HD1 TYR 55 HD1 TYR 55 0.801 6.277 0.003 445 HD2 TYR 55 HD2 TYR 55 -0.285 5.976 4.103 446 HE1 TYR 55 HE1 TYR 55 3.173 6.335 0.623 447 HE2 TYR 55 HE2 TYR 55 2.092 6.035 4.742 448 HH TYR 55 HH TYR 55 4.593 6.748 2.411 449 H LEU 56 H LEU 56 -2.330 8.591 -0.219 450 HA LEU 56 HA LEU 56 0.040 10.173 0.116 451 1HB LEU 56 1HB LEU 56 -2.020 10.144 -2.079 452 2HB LEU 56 2HB LEU 56 -0.503 10.999 -2.133 453 HG LEU 56 HG LEU 56 -0.850 8.015 -2.021 454 1HD1 LEU 56 1HD1 LEU 56 0.138 9.827 -4.213 455 2HD1 LEU 56 2HD1 LEU 56 -1.404 8.974 -4.184 456 3HD1 LEU 56 3HD1 LEU 56 0.106 8.065 -4.268 457 1HD2 LEU 56 1HD2 LEU 56 1.134 8.653 -0.792 458 2HD2 LEU 56 2HD2 LEU 56 1.659 9.686 -2.124 459 3HD2 LEU 56 3HD2 LEU 56 1.593 7.934 -2.339 460 H SER 57 H SER 57 -3.429 10.725 0.293 461 HA SER 57 HA SER 57 -2.937 13.595 0.587 462 1HB SER 57 1HB SER 57 -5.357 13.826 0.119 463 2HB SER 57 2HB SER 57 -4.465 12.996 -1.153 464 HG SER 57 HG SER 57 -5.338 11.089 -0.575 465 H ASN 58 H ASN 58 -2.950 11.188 2.651 466 HA ASN 58 HA ASN 58 -4.142 12.738 4.797 467 1HB ASN 58 1HB ASN 58 -5.891 11.126 3.675 468 2HB ASN 58 2HB ASN 58 -5.032 9.887 4.571 469 1HD2 ASN 58 1HD2 ASN 58 -4.425 11.739 6.802 470 2HD2 ASN 58 2HD2 ASN 58 -5.910 11.895 7.673 471 H ARG 59 H ARG 59 -2.834 9.564 3.887 472 HA ARG 59 HA ARG 59 -1.107 8.328 4.729 473 1HB ARG 59 1HB ARG 59 -0.556 10.848 6.286 474 2HB ARG 59 2HB ARG 59 0.363 9.378 6.565 475 1HG ARG 59 1HG ARG 59 1.202 9.409 4.314 476 2HG ARG 59 2HG ARG 59 0.156 10.772 3.901 477 1HD ARG 59 1HD ARG 59 1.351 12.237 5.330 478 2HD ARG 59 2HD ARG 59 2.222 10.906 6.086 479 HE ARG 59 HE ARG 59 3.384 10.622 3.921 480 1HH1 ARG 59 1HH1 ARG 59 1.751 13.674 4.498 481 2HH1 ARG 59 2HH1 ARG 59 2.899 14.598 3.567 482 1HH2 ARG 59 1HH2 ARG 59 4.908 11.848 2.744 483 2HH2 ARG 59 2HH2 ARG 59 4.700 13.569 2.601 Start of MODEL 6 1 1H GLY 1 1H GLY 1 -8.563 -9.014 8.005 2 2H GLY 1 2H GLY 1 -9.740 -9.474 9.135 3 3H GLY 1 3H GLY 1 -8.678 -8.196 9.488 4 1HA GLY 1 1HA GLY 1 -10.746 -8.216 7.359 5 2HA GLY 1 2HA GLY 1 -10.859 -7.360 8.891 6 H ALA 2 H ALA 2 -11.178 -5.456 7.585 7 HA ALA 2 HA ALA 2 -8.975 -4.592 5.898 8 1HB ALA 2 1HB ALA 2 -10.420 -2.732 5.300 9 2HB ALA 2 2HB ALA 2 -11.570 -3.203 6.550 10 3HB ALA 2 3HB ALA 2 -11.291 -4.260 5.166 11 H MET 3 H MET 3 -8.799 -4.789 8.917 12 HA MET 3 HA MET 3 -8.075 -1.991 9.486 13 1HB MET 3 1HB MET 3 -8.478 -4.316 11.385 14 2HB MET 3 2HB MET 3 -8.006 -2.691 11.861 15 1HG MET 3 1HG MET 3 -10.124 -1.824 11.047 16 2HG MET 3 2HG MET 3 -10.595 -3.440 10.525 17 1HE MET 3 1HE MET 3 -10.833 -5.343 13.950 18 2HE MET 3 2HE MET 3 -9.412 -5.210 12.915 19 3HE MET 3 3HE MET 3 -11.002 -5.469 12.199 20 H GLU 4 H GLU 4 -6.955 -5.273 10.238 21 HA GLU 4 HA GLU 4 -4.411 -4.602 11.118 22 1HB GLU 4 1HB GLU 4 -5.104 -7.139 9.740 23 2HB GLU 4 2HB GLU 4 -3.952 -6.897 11.045 24 1HG GLU 4 1HG GLU 4 -5.579 -7.603 12.357 25 2HG GLU 4 2HG GLU 4 -6.282 -6.010 12.138 26 H ALA 5 H ALA 5 -5.411 -5.942 8.007 27 HA ALA 5 HA ALA 5 -2.866 -5.906 6.816 28 1HB ALA 5 1HB ALA 5 -5.571 -5.955 5.495 29 2HB ALA 5 2HB ALA 5 -4.681 -7.362 6.075 30 3HB ALA 5 3HB ALA 5 -4.036 -6.399 4.747 31 H GLU 6 H GLU 6 -5.472 -3.545 6.883 32 HA GLU 6 HA GLU 6 -4.522 -1.843 4.852 33 1HB GLU 6 1HB GLU 6 -6.790 -1.694 5.887 34 2HB GLU 6 2HB GLU 6 -6.028 -1.050 7.328 35 1HG GLU 6 1HG GLU 6 -5.165 0.831 6.001 36 2HG GLU 6 2HG GLU 6 -6.042 0.212 4.608 37 H LYS 7 H LYS 7 -4.123 -1.697 8.384 38 HA LYS 7 HA LYS 7 -2.387 0.526 8.347 39 1HB LYS 7 1HB LYS 7 -2.587 -1.624 10.449 40 2HB LYS 7 2HB LYS 7 -1.892 -0.023 10.657 41 1HG LYS 7 1HG LYS 7 -4.125 0.932 10.102 42 2HG LYS 7 2HG LYS 7 -4.775 -0.706 10.158 43 1HD LYS 7 1HD LYS 7 -5.174 0.317 12.279 44 2HD LYS 7 2HD LYS 7 -3.898 -0.883 12.491 45 1HE LYS 7 1HE LYS 7 -2.216 0.883 12.364 46 2HE LYS 7 2HE LYS 7 -3.486 2.083 12.143 47 1HZ LYS 7 1HZ LYS 7 -2.975 0.432 14.556 48 2HZ LYS 7 2HZ LYS 7 -4.380 1.351 14.338 49 3HZ LYS 7 3HZ LYS 7 -2.870 2.118 14.413 50 H GLU 8 H GLU 8 -1.794 -2.956 8.219 51 HA GLU 8 HA GLU 8 1.015 -2.870 8.339 52 1HB GLU 8 1HB GLU 8 -0.894 -4.788 7.018 53 2HB GLU 8 2HB GLU 8 0.848 -5.005 6.916 54 1HG GLU 8 1HG GLU 8 -0.779 -4.921 9.446 55 2HG GLU 8 2HG GLU 8 -0.119 -6.365 8.680 56 H PHE 9 H PHE 9 -1.244 -2.424 5.717 57 HA PHE 9 HA PHE 9 0.675 -2.298 3.611 58 1HB PHE 9 1HB PHE 9 -1.739 -2.861 3.329 59 2HB PHE 9 2HB PHE 9 -2.168 -1.207 3.757 60 HD1 PHE 9 HD1 PHE 9 -1.254 -3.472 1.154 61 HD2 PHE 9 HD2 PHE 9 -1.345 0.653 2.191 62 HE1 PHE 9 HE1 PHE 9 -1.150 -2.872 -1.229 63 HE2 PHE 9 HE2 PHE 9 -1.235 1.259 -0.189 64 HZ PHE 9 HZ PHE 9 -1.146 -0.508 -1.908 65 H ILE 10 H ILE 10 -0.918 0.117 5.668 66 HA ILE 10 HA ILE 10 0.142 2.379 4.294 67 HB ILE 10 HB ILE 10 -0.860 2.181 7.138 68 1HG1 ILE 10 1HG1 ILE 10 -2.537 1.480 5.481 69 2HG1 ILE 10 2HG1 ILE 10 -2.980 2.989 6.261 70 1HG2 ILE 10 1HG2 ILE 10 -1.236 4.605 6.955 71 2HG2 ILE 10 2HG2 ILE 10 -0.460 4.589 5.366 72 3HG2 ILE 10 3HG2 ILE 10 0.475 4.177 6.810 73 1HD1 ILE 10 1HD1 ILE 10 -2.236 4.230 4.297 74 2HD1 ILE 10 2HD1 ILE 10 -3.469 3.040 3.883 75 3HD1 ILE 10 3HD1 ILE 10 -1.775 2.716 3.517 76 H THR 11 H THR 11 1.138 0.512 7.114 77 HA THR 11 HA THR 11 3.444 2.089 7.661 78 HB THR 11 HB THR 11 2.919 -0.789 8.437 79 HG1 THR 11 HG1 THR 11 1.545 0.002 9.836 80 1HG2 THR 11 1HG2 THR 11 4.459 -0.324 10.293 81 2HG2 THR 11 2HG2 THR 11 4.743 1.293 9.649 82 3HG2 THR 11 3HG2 THR 11 5.257 -0.123 8.731 83 H MET 12 H MET 12 2.708 -0.395 5.416 84 HA MET 12 HA MET 12 5.401 -1.208 4.883 85 1HB MET 12 1HB MET 12 3.730 -2.829 4.386 86 2HB MET 12 2HB MET 12 2.759 -1.665 3.496 87 1HG MET 12 1HG MET 12 4.297 -1.642 1.698 88 2HG MET 12 2HG MET 12 5.473 -2.599 2.597 89 1HE MET 12 1HE MET 12 2.148 -2.561 0.556 90 2HE MET 12 2HE MET 12 1.563 -2.963 2.170 91 3HE MET 12 3HE MET 12 1.485 -4.164 0.881 92 H LEU 13 H LEU 13 3.061 1.084 3.684 93 HA LEU 13 HA LEU 13 4.528 1.937 1.460 94 1HB LEU 13 1HB LEU 13 2.475 3.347 3.125 95 2HB LEU 13 2HB LEU 13 3.095 3.957 1.601 96 HG LEU 13 HG LEU 13 1.709 1.294 1.879 97 1HD1 LEU 13 1HD1 LEU 13 0.200 3.067 2.498 98 2HD1 LEU 13 2HD1 LEU 13 -0.234 2.404 0.923 99 3HD1 LEU 13 3HD1 LEU 13 0.606 3.952 1.032 100 1HD2 LEU 13 1HD2 LEU 13 3.180 1.494 -0.061 101 2HD2 LEU 13 2HD2 LEU 13 2.368 2.989 -0.530 102 3HD2 LEU 13 3HD2 LEU 13 1.488 1.461 -0.549 103 H LYS 14 H LYS 14 4.436 2.943 4.827 104 HA LYS 14 HA LYS 14 6.249 5.095 4.584 105 1HB LYS 14 1HB LYS 14 5.261 3.458 6.871 106 2HB LYS 14 2HB LYS 14 6.524 4.666 7.102 107 1HG LYS 14 1HG LYS 14 5.083 6.410 6.523 108 2HG LYS 14 2HG LYS 14 3.921 5.304 5.781 109 1HD LYS 14 1HD LYS 14 3.782 4.259 8.066 110 2HD LYS 14 2HD LYS 14 4.485 5.758 8.670 111 1HE LYS 14 1HE LYS 14 2.670 7.015 7.632 112 2HE LYS 14 2HE LYS 14 2.005 5.509 6.998 113 1HZ LYS 14 1HZ LYS 14 2.338 6.088 9.889 114 2HZ LYS 14 2HZ LYS 14 1.536 4.759 9.199 115 3HZ LYS 14 3HZ LYS 14 0.889 6.320 9.037 116 H GLU 15 H GLU 15 6.630 1.675 5.369 117 HA GLU 15 HA GLU 15 9.409 1.798 5.862 118 1HB GLU 15 1HB GLU 15 7.394 -0.345 5.480 119 2HB GLU 15 2HB GLU 15 9.088 -0.753 5.528 120 1HG GLU 15 1HG GLU 15 9.247 0.297 7.720 121 2HG GLU 15 2HG GLU 15 7.532 0.668 7.663 122 H ASN 16 H ASN 16 7.582 1.816 3.004 123 HA ASN 16 HA ASN 16 9.885 0.901 1.422 124 1HB ASN 16 1HB ASN 16 6.943 1.023 0.858 125 2HB ASN 16 2HB ASN 16 8.087 1.032 -0.477 126 1HD2 ASN 16 1HD2 ASN 16 8.769 -0.680 2.473 127 2HD2 ASN 16 2HD2 ASN 16 8.601 -2.271 1.818 128 H GLN 17 H GLN 17 9.061 3.605 2.747 129 HA GLN 17 HA GLN 17 9.341 5.808 2.371 130 1HB GLN 17 1HB GLN 17 11.220 4.484 0.509 131 2HB GLN 17 2HB GLN 17 11.039 6.233 0.398 132 1HG GLN 17 1HG GLN 17 11.613 4.822 2.979 133 2HG GLN 17 2HG GLN 17 12.896 5.351 1.887 134 1HE2 GLN 17 1HE2 GLN 17 12.171 6.177 4.632 135 2HE2 GLN 17 2HE2 GLN 17 11.982 7.896 4.545 136 H VAL 18 H VAL 18 7.089 4.570 1.113 137 HA VAL 18 HA VAL 18 6.781 5.600 -1.544 138 HB VAL 18 HB VAL 18 4.691 4.543 0.376 139 1HG1 VAL 18 1HG1 VAL 18 3.679 5.868 -1.379 140 2HG1 VAL 18 2HG1 VAL 18 3.344 4.149 -1.649 141 3HG1 VAL 18 3HG1 VAL 18 4.584 4.973 -2.609 142 1HG2 VAL 18 1HG2 VAL 18 6.440 2.896 -0.100 143 2HG2 VAL 18 2HG2 VAL 18 6.170 3.113 -1.832 144 3HG2 VAL 18 3HG2 VAL 18 4.897 2.433 -0.817 145 H ASP 19 H ASP 19 5.781 7.436 -2.198 146 HA ASP 19 HA ASP 19 3.970 8.836 -0.479 147 1HB ASP 19 1HB ASP 19 5.086 10.987 -0.463 148 2HB ASP 19 2HB ASP 19 6.138 9.787 0.267 149 H SER 20 H SER 20 4.110 11.272 -1.966 150 HA SER 20 HA SER 20 2.247 10.818 -3.932 151 1HB SER 20 1HB SER 20 3.025 13.123 -4.766 152 2HB SER 20 2HB SER 20 2.472 13.001 -3.094 153 HG SER 20 HG SER 20 5.141 12.478 -3.337 154 H THR 21 H THR 21 5.757 10.638 -4.224 155 HA THR 21 HA THR 21 5.660 10.817 -7.121 156 HB THR 21 HB THR 21 7.495 11.854 -5.770 157 HG1 THR 21 HG1 THR 21 7.606 11.086 -8.091 158 1HG2 THR 21 1HG2 THR 21 7.846 10.040 -4.158 159 2HG2 THR 21 2HG2 THR 21 9.340 10.428 -5.009 160 3HG2 THR 21 3HG2 THR 21 8.420 8.992 -5.454 161 H TRP 22 H TRP 22 4.391 8.528 -5.697 162 HA TRP 22 HA TRP 22 5.889 6.334 -6.977 163 1HB TRP 22 1HB TRP 22 4.452 6.545 -4.421 164 2HB TRP 22 2HB TRP 22 4.181 5.060 -5.310 165 HD1 TRP 22 HD1 TRP 22 7.364 7.095 -4.261 166 HE1 TRP 22 HE1 TRP 22 9.102 5.377 -3.410 167 HE3 TRP 22 HE3 TRP 22 4.712 2.834 -4.985 168 HZ2 TRP 22 HZ2 TRP 22 9.258 2.536 -3.096 169 HZ3 TRP 22 HZ3 TRP 22 5.667 0.691 -4.381 170 HH2 TRP 22 HH2 TRP 22 7.893 0.546 -3.465 171 H SER 23 H SER 23 4.854 5.063 -8.424 172 HA SER 23 HA SER 23 2.082 5.699 -9.127 173 1HB SER 23 1HB SER 23 2.536 4.340 -11.139 174 2HB SER 23 2HB SER 23 3.761 5.596 -10.949 175 HG SER 23 HG SER 23 5.244 4.124 -10.599 176 H PHE 24 H PHE 24 0.673 3.704 -9.657 177 HA PHE 24 HA PHE 24 0.953 1.803 -7.454 178 1HB PHE 24 1HB PHE 24 -1.187 2.953 -8.221 179 2HB PHE 24 2HB PHE 24 -1.135 1.930 -9.642 180 HD1 PHE 24 HD1 PHE 24 -1.916 -0.287 -9.582 181 HD2 PHE 24 HD2 PHE 24 -1.503 1.932 -5.978 182 HE1 PHE 24 HE1 PHE 24 -3.214 -1.998 -8.383 183 HE2 PHE 24 HE2 PHE 24 -2.787 0.221 -4.772 184 HZ PHE 24 HZ PHE 24 -3.655 -1.730 -5.983 185 H SER 25 H SER 25 2.480 2.090 -10.146 186 HA SER 25 HA SER 25 2.446 -0.696 -10.999 187 1HB SER 25 1HB SER 25 4.264 1.546 -11.925 188 2HB SER 25 2HB SER 25 3.964 0.010 -12.738 189 HG SER 25 HG SER 25 1.664 0.799 -12.754 190 H ARG 26 H ARG 26 4.461 1.748 -9.548 191 HA ARG 26 HA ARG 26 6.677 0.233 -8.799 192 1HB ARG 26 1HB ARG 26 6.162 2.808 -8.691 193 2HB ARG 26 2HB ARG 26 5.566 2.426 -7.091 194 1HG ARG 26 1HG ARG 26 7.692 1.756 -6.369 195 2HG ARG 26 2HG ARG 26 8.322 1.747 -8.017 196 1HD ARG 26 1HD ARG 26 7.508 4.248 -7.988 197 2HD ARG 26 2HD ARG 26 7.646 4.038 -6.255 198 HE ARG 26 HE ARG 26 10.019 3.129 -7.194 199 1HH1 ARG 26 1HH1 ARG 26 8.231 6.109 -7.556 200 2HH1 ARG 26 2HH1 ARG 26 9.647 7.099 -7.746 201 1HH2 ARG 26 1HH2 ARG 26 11.900 4.417 -7.424 202 2HH2 ARG 26 2HH2 ARG 26 11.738 6.135 -7.704 203 H ILE 27 H ILE 27 3.576 0.820 -7.244 204 HA ILE 27 HA ILE 27 4.018 -0.572 -4.840 205 HB ILE 27 HB ILE 27 1.496 -0.071 -6.434 206 1HG1 ILE 27 1HG1 ILE 27 2.643 1.151 -3.914 207 2HG1 ILE 27 2HG1 ILE 27 2.575 1.905 -5.503 208 1HG2 ILE 27 1HG2 ILE 27 1.184 -2.101 -5.099 209 2HG2 ILE 27 2HG2 ILE 27 0.215 -0.764 -4.479 210 3HG2 ILE 27 3HG2 ILE 27 1.701 -1.232 -3.654 211 1HD1 ILE 27 1HD1 ILE 27 0.187 1.113 -3.863 212 2HD1 ILE 27 2HD1 ILE 27 0.173 1.968 -5.406 213 3HD1 ILE 27 3HD1 ILE 27 0.857 2.742 -3.978 214 H ILE 28 H ILE 28 2.355 -1.775 -7.832 215 HA ILE 28 HA ILE 28 2.204 -4.433 -6.909 216 HB ILE 28 HB ILE 28 2.367 -3.481 -9.780 217 1HG1 ILE 28 1HG1 ILE 28 -0.035 -4.077 -8.035 218 2HG1 ILE 28 2HG1 ILE 28 0.528 -2.465 -8.458 219 1HG2 ILE 28 1HG2 ILE 28 2.825 -5.868 -9.597 220 2HG2 ILE 28 2HG2 ILE 28 1.241 -5.597 -10.326 221 3HG2 ILE 28 3HG2 ILE 28 1.363 -6.089 -8.636 222 1HD1 ILE 28 1HD1 ILE 28 -0.473 -4.538 -10.394 223 2HD1 ILE 28 2HD1 ILE 28 0.065 -2.909 -10.804 224 3HD1 ILE 28 3HD1 ILE 28 -1.374 -3.138 -9.812 225 H SER 29 H SER 29 4.838 -2.727 -8.511 226 HA SER 29 HA SER 29 6.269 -5.130 -9.174 227 1HB SER 29 1HB SER 29 6.404 -3.009 -10.502 228 2HB SER 29 2HB SER 29 7.277 -2.277 -9.158 229 HG SER 29 HG SER 29 8.112 -4.593 -10.583 230 H GLU 30 H GLU 30 6.464 -2.708 -6.592 231 HA GLU 30 HA GLU 30 8.871 -4.050 -5.566 232 1HB GLU 30 1HB GLU 30 7.722 -1.301 -5.067 233 2HB GLU 30 2HB GLU 30 9.064 -1.961 -4.142 234 1HG GLU 30 1HG GLU 30 9.076 -1.626 -7.130 235 2HG GLU 30 2HG GLU 30 9.709 -0.435 -5.994 236 H LEU 31 H LEU 31 5.583 -3.172 -4.683 237 HA LEU 31 HA LEU 31 5.997 -3.975 -1.920 238 1HB LEU 31 1HB LEU 31 3.620 -2.898 -3.423 239 2HB LEU 31 2HB LEU 31 3.480 -3.505 -1.785 240 HG LEU 31 HG LEU 31 4.897 -1.766 -0.953 241 1HD1 LEU 31 1HD1 LEU 31 6.583 -1.572 -2.529 242 2HD1 LEU 31 2HD1 LEU 31 5.766 -0.009 -2.481 243 3HD1 LEU 31 3HD1 LEU 31 5.443 -1.139 -3.797 244 1HD2 LEU 31 1HD2 LEU 31 2.569 -1.171 -1.300 245 2HD2 LEU 31 2HD2 LEU 31 2.968 -0.598 -2.920 246 3HD2 LEU 31 3HD2 LEU 31 3.636 0.219 -1.506 247 H GLY 32 H GLY 32 5.085 -5.340 -4.860 248 1HA GLY 32 1HA GLY 32 3.634 -7.565 -3.726 249 2HA GLY 32 2HA GLY 32 4.147 -7.384 -5.399 250 H THR 33 H THR 33 6.836 -6.664 -3.737 251 HA THR 33 HA THR 33 7.772 -9.448 -3.695 252 HB THR 33 HB THR 33 9.937 -8.585 -4.626 253 HG1 THR 33 HG1 THR 33 8.859 -6.537 -6.000 254 1HG2 THR 33 1HG2 THR 33 7.484 -8.435 -6.376 255 2HG2 THR 33 2HG2 THR 33 8.401 -9.894 -5.981 256 3HG2 THR 33 3HG2 THR 33 9.144 -8.620 -6.955 257 H ARG 34 H ARG 34 8.508 -6.123 -2.609 258 HA ARG 34 HA ARG 34 10.663 -6.663 -0.978 259 1HB ARG 34 1HB ARG 34 8.544 -4.594 -0.747 260 2HB ARG 34 2HB ARG 34 9.894 -4.668 0.371 261 1HG ARG 34 1HG ARG 34 11.434 -4.475 -1.563 262 2HG ARG 34 2HG ARG 34 10.026 -4.258 -2.608 263 1HD ARG 34 1HD ARG 34 9.366 -2.367 -1.107 264 2HD ARG 34 2HD ARG 34 10.952 -2.490 -0.362 265 HE ARG 34 HE ARG 34 10.619 -1.941 -3.244 266 1HH1 ARG 34 1HH1 ARG 34 11.972 -1.120 -0.126 267 2HH1 ARG 34 2HH1 ARG 34 13.064 0.068 -0.773 268 1HH2 ARG 34 1HH2 ARG 34 12.061 -0.418 -4.097 269 2HH2 ARG 34 2HH2 ARG 34 13.115 0.462 -3.032 270 H ASP 35 H ASP 35 7.234 -6.772 -0.121 271 HA ASP 35 HA ASP 35 7.723 -8.803 1.842 272 1HB ASP 35 1HB ASP 35 8.209 -6.530 3.001 273 2HB ASP 35 2HB ASP 35 6.469 -6.281 2.922 274 HA PRO 36 HA PRO 36 3.909 -9.781 -0.038 275 1HB PRO 36 1HB PRO 36 3.505 -11.762 2.087 276 2HB PRO 36 2HB PRO 36 3.780 -12.001 0.360 277 1HG PRO 36 1HG PRO 36 5.654 -12.603 2.184 278 2HG PRO 36 2HG PRO 36 6.072 -11.965 0.582 279 1HD PRO 36 1HD PRO 36 5.938 -10.531 3.213 280 2HD PRO 36 2HD PRO 36 7.159 -10.419 1.926 281 H ARG 37 H ARG 37 3.782 -7.732 2.267 282 HA ARG 37 HA ARG 37 1.416 -8.243 3.716 283 1HB ARG 37 1HB ARG 37 2.539 -5.578 2.896 284 2HB ARG 37 2HB ARG 37 1.401 -5.884 4.201 285 1HG ARG 37 1HG ARG 37 3.097 -7.241 5.338 286 2HG ARG 37 2HG ARG 37 4.242 -6.841 4.054 287 1HD ARG 37 1HD ARG 37 3.688 -4.415 4.595 288 2HD ARG 37 2HD ARG 37 2.988 -5.046 6.080 289 HE ARG 37 HE ARG 37 5.563 -6.109 5.790 290 1HH1 ARG 37 1HH1 ARG 37 4.002 -3.038 6.452 291 2HH1 ARG 37 2HH1 ARG 37 5.369 -2.391 7.318 292 1HH2 ARG 37 1HH2 ARG 37 7.348 -5.249 6.946 293 2HH2 ARG 37 2HH2 ARG 37 7.254 -3.631 7.588 294 H TYR 38 H TYR 38 2.084 -7.091 0.522 295 HA TYR 38 HA TYR 38 -0.456 -5.975 -0.063 296 1HB TYR 38 1HB TYR 38 1.701 -5.548 -1.300 297 2HB TYR 38 2HB TYR 38 1.555 -7.158 -1.994 298 HD1 TYR 38 HD1 TYR 38 0.117 -3.772 -1.925 299 HD2 TYR 38 HD2 TYR 38 0.013 -7.596 -3.781 300 HE1 TYR 38 HE1 TYR 38 -1.245 -2.841 -3.746 301 HE2 TYR 38 HE2 TYR 38 -1.350 -6.678 -5.607 302 HH TYR 38 HH TYR 38 -1.741 -3.387 -6.154 303 H TRP 39 H TRP 39 0.692 -9.187 0.222 304 HA TRP 39 HA TRP 39 -1.472 -10.253 -1.442 305 1HB TRP 39 1HB TRP 39 0.921 -11.712 -0.318 306 2HB TRP 39 2HB TRP 39 -0.236 -12.337 -1.488 307 HD1 TRP 39 HD1 TRP 39 3.100 -11.068 -1.427 308 HE1 TRP 39 HE1 TRP 39 3.824 -10.074 -3.690 309 HE3 TRP 39 HE3 TRP 39 -1.499 -10.601 -3.589 310 HZ2 TRP 39 HZ2 TRP 39 2.592 -9.204 -6.077 311 HZ3 TRP 39 HZ3 TRP 39 -1.647 -9.671 -5.864 312 HH2 TRP 39 HH2 TRP 39 0.361 -8.987 -7.081 313 H MET 40 H MET 40 -0.251 -10.158 1.836 314 HA MET 40 HA MET 40 -1.671 -12.261 2.979 315 1HB MET 40 1HB MET 40 -0.999 -9.570 4.179 316 2HB MET 40 2HB MET 40 -1.597 -10.940 5.101 317 1HG MET 40 1HG MET 40 0.400 -12.225 4.276 318 2HG MET 40 2HG MET 40 1.014 -10.701 3.639 319 1HE MET 40 1HE MET 40 1.295 -8.495 5.305 320 2HE MET 40 2HE MET 40 1.113 -8.612 7.055 321 3HE MET 40 3HE MET 40 -0.291 -8.814 6.007 322 H VAL 41 H VAL 41 -2.691 -8.927 2.400 323 HA VAL 41 HA VAL 41 -5.458 -9.658 2.918 324 HB VAL 41 HB VAL 41 -4.864 -7.439 3.638 325 1HG1 VAL 41 1HG1 VAL 41 -4.101 -5.700 2.083 326 2HG1 VAL 41 2HG1 VAL 41 -3.966 -6.918 0.813 327 3HG1 VAL 41 3HG1 VAL 41 -2.940 -7.017 2.246 328 1HG2 VAL 41 1HG2 VAL 41 -6.479 -6.078 2.419 329 2HG2 VAL 41 2HG2 VAL 41 -7.104 -7.697 2.733 330 3HG2 VAL 41 3HG2 VAL 41 -6.514 -7.276 1.124 331 H ASP 42 H ASP 42 -6.760 -10.420 1.366 332 HA ASP 42 HA ASP 42 -5.757 -11.143 -1.117 333 1HB ASP 42 1HB ASP 42 -8.211 -11.550 -1.620 334 2HB ASP 42 2HB ASP 42 -7.498 -12.454 -0.316 335 H ASP 43 H ASP 43 -6.299 -10.455 -3.177 336 HA ASP 43 HA ASP 43 -5.807 -7.660 -3.179 337 1HB ASP 43 1HB ASP 43 -5.292 -7.982 -5.553 338 2HB ASP 43 2HB ASP 43 -4.434 -9.113 -4.528 339 H ASP 44 H ASP 44 -7.692 -6.632 -2.652 340 HA ASP 44 HA ASP 44 -9.370 -6.291 -5.037 341 1HB ASP 44 1HB ASP 44 -10.454 -6.359 -2.736 342 2HB ASP 44 2HB ASP 44 -9.622 -4.849 -2.382 343 HA PRO 45 HA PRO 45 -5.911 -3.499 -5.681 344 1HB PRO 45 1HB PRO 45 -7.165 -3.184 -8.323 345 2HB PRO 45 2HB PRO 45 -5.532 -3.678 -7.906 346 1HG PRO 45 1HG PRO 45 -7.292 -5.439 -8.854 347 2HG PRO 45 2HG PRO 45 -6.114 -5.878 -7.601 348 1HD PRO 45 1HD PRO 45 -9.014 -5.223 -7.316 349 2HD PRO 45 2HD PRO 45 -8.056 -6.488 -6.523 350 H LEU 46 H LEU 46 -9.283 -2.808 -6.629 351 HA LEU 46 HA LEU 46 -8.956 -0.025 -6.897 352 1HB LEU 46 1HB LEU 46 -11.003 -1.757 -7.297 353 2HB LEU 46 2HB LEU 46 -11.521 -0.999 -5.807 354 HG LEU 46 HG LEU 46 -12.498 0.060 -7.807 355 1HD1 LEU 46 1HD1 LEU 46 -11.967 2.383 -7.232 356 2HD1 LEU 46 2HD1 LEU 46 -10.601 1.823 -6.268 357 3HD1 LEU 46 3HD1 LEU 46 -12.245 1.391 -5.799 358 1HD2 LEU 46 1HD2 LEU 46 -9.647 0.790 -8.444 359 2HD2 LEU 46 2HD2 LEU 46 -11.074 1.417 -9.268 360 3HD2 LEU 46 3HD2 LEU 46 -10.684 -0.300 -9.368 361 H TRP 47 H TRP 47 -9.743 -2.025 -4.045 362 HA TRP 47 HA TRP 47 -9.883 0.182 -2.251 363 1HB TRP 47 1HB TRP 47 -10.852 -1.861 -1.502 364 2HB TRP 47 2HB TRP 47 -9.368 -2.763 -1.809 365 HD1 TRP 47 HD1 TRP 47 -10.615 0.050 0.563 366 HE1 TRP 47 HE1 TRP 47 -9.369 -0.184 2.805 367 HE3 TRP 47 HE3 TRP 47 -7.468 -3.752 -0.683 368 HZ2 TRP 47 HZ2 TRP 47 -7.291 -1.763 3.887 369 HZ3 TRP 47 HZ3 TRP 47 -5.865 -4.567 1.003 370 HH2 TRP 47 HH2 TRP 47 -5.773 -3.588 3.240 371 H LYS 48 H LYS 48 -7.295 -1.912 -3.358 372 HA LYS 48 HA LYS 48 -5.256 -1.014 -1.658 373 1HB LYS 48 1HB LYS 48 -5.150 -2.043 -4.502 374 2HB LYS 48 2HB LYS 48 -3.735 -1.820 -3.480 375 1HG LYS 48 1HG LYS 48 -5.975 -3.518 -2.491 376 2HG LYS 48 2HG LYS 48 -4.872 -4.164 -3.708 377 1HD LYS 48 1HD LYS 48 -3.000 -3.810 -2.306 378 2HD LYS 48 2HD LYS 48 -3.955 -2.914 -1.127 379 1HE LYS 48 1HE LYS 48 -3.583 -5.092 -0.236 380 2HE LYS 48 2HE LYS 48 -5.268 -5.016 -0.734 381 1HZ LYS 48 1HZ LYS 48 -4.635 -6.190 -2.784 382 2HZ LYS 48 2HZ LYS 48 -4.308 -7.103 -1.396 383 3HZ LYS 48 3HZ LYS 48 -3.047 -6.325 -2.212 384 H LYS 49 H LYS 49 -6.595 0.317 -4.615 385 HA LYS 49 HA LYS 49 -4.594 2.371 -4.832 386 1HB LYS 49 1HB LYS 49 -7.232 2.211 -6.302 387 2HB LYS 49 2HB LYS 49 -5.786 3.073 -6.776 388 1HG LYS 49 1HG LYS 49 -4.633 0.913 -7.022 389 2HG LYS 49 2HG LYS 49 -6.154 0.103 -6.650 390 1HD LYS 49 1HD LYS 49 -5.803 0.192 -9.050 391 2HD LYS 49 2HD LYS 49 -7.187 1.198 -8.594 392 1HE LYS 49 1HE LYS 49 -6.047 3.158 -8.924 393 2HE LYS 49 2HE LYS 49 -4.485 2.380 -8.688 394 1HZ LYS 49 1HZ LYS 49 -6.247 2.009 -11.059 395 2HZ LYS 49 2HZ LYS 49 -4.701 1.344 -10.854 396 3HZ LYS 49 3HZ LYS 49 -4.885 3.023 -11.015 397 H GLU 50 H GLU 50 -7.933 2.088 -3.748 398 HA GLU 50 HA GLU 50 -8.439 4.787 -3.186 399 1HB GLU 50 1HB GLU 50 -9.497 2.236 -2.020 400 2HB GLU 50 2HB GLU 50 -10.057 3.798 -1.462 401 1HG GLU 50 1HG GLU 50 -10.730 4.318 -3.799 402 2HG GLU 50 2HG GLU 50 -10.300 2.665 -4.233 403 H MET 51 H MET 51 -6.886 2.263 -1.278 404 HA MET 51 HA MET 51 -6.727 3.908 1.067 405 1HB MET 51 1HB MET 51 -5.508 2.065 2.053 406 2HB MET 51 2HB MET 51 -6.895 1.435 1.176 407 1HG MET 51 1HG MET 51 -5.454 0.823 -0.685 408 2HG MET 51 2HG MET 51 -4.063 1.476 0.173 409 1HE MET 51 1HE MET 51 -3.477 0.545 2.720 410 2HE MET 51 2HE MET 51 -4.189 -0.943 3.370 411 3HE MET 51 3HE MET 51 -5.194 0.502 3.162 412 H PHE 52 H PHE 52 -4.769 3.207 -1.722 413 HA PHE 52 HA PHE 52 -2.316 4.215 -0.701 414 1HB PHE 52 1HB PHE 52 -2.314 2.744 -2.611 415 2HB PHE 52 2HB PHE 52 -3.318 3.856 -3.525 416 HD1 PHE 52 HD1 PHE 52 -2.203 4.872 -5.231 417 HD2 PHE 52 HD2 PHE 52 -0.142 4.166 -1.575 418 HE1 PHE 52 HE1 PHE 52 -0.199 5.960 -6.155 419 HE2 PHE 52 HE2 PHE 52 1.866 5.249 -2.494 420 HZ PHE 52 HZ PHE 52 1.841 6.148 -4.786 421 H GLU 53 H GLU 53 -4.980 5.683 -2.541 422 HA GLU 53 HA GLU 53 -3.685 8.218 -2.695 423 1HB GLU 53 1HB GLU 53 -5.769 9.087 -3.529 424 2HB GLU 53 2HB GLU 53 -5.422 7.549 -4.286 425 1HG GLU 53 1HG GLU 53 -6.930 6.457 -2.794 426 2HG GLU 53 2HG GLU 53 -7.304 7.992 -2.035 427 H LYS 54 H LYS 54 -5.590 6.561 -0.406 428 HA LYS 54 HA LYS 54 -6.202 8.767 1.282 429 1HB LYS 54 1HB LYS 54 -7.376 6.667 1.556 430 2HB LYS 54 2HB LYS 54 -5.867 5.838 1.922 431 1HG LYS 54 1HG LYS 54 -6.719 6.162 4.009 432 2HG LYS 54 2HG LYS 54 -5.731 7.623 3.835 433 1HD LYS 54 1HD LYS 54 -7.654 8.911 3.233 434 2HD LYS 54 2HD LYS 54 -8.667 7.472 3.158 435 1HE LYS 54 1HE LYS 54 -7.335 8.550 5.629 436 2HE LYS 54 2HE LYS 54 -9.042 8.729 5.226 437 1HZ LYS 54 1HZ LYS 54 -7.569 6.265 5.958 438 2HZ LYS 54 2HZ LYS 54 -9.051 6.197 5.139 439 3HZ LYS 54 3HZ LYS 54 -8.966 6.919 6.669 440 H TYR 55 H TYR 55 -3.514 6.536 0.993 441 HA TYR 55 HA TYR 55 -2.122 7.462 3.275 442 1HB TYR 55 1HB TYR 55 -1.561 5.322 2.330 443 2HB TYR 55 2HB TYR 55 -1.180 6.045 0.777 444 HD1 TYR 55 HD1 TYR 55 -0.081 6.140 4.351 445 HD2 TYR 55 HD2 TYR 55 1.012 6.525 0.261 446 HE1 TYR 55 HE1 TYR 55 2.283 6.339 5.006 447 HE2 TYR 55 HE2 TYR 55 3.373 6.727 0.900 448 HH TYR 55 HH TYR 55 4.761 7.191 2.699 449 H LEU 56 H LEU 56 -2.401 8.633 0.021 450 HA LEU 56 HA LEU 56 -0.181 10.435 0.331 451 1HB LEU 56 1HB LEU 56 -2.273 10.357 -1.840 452 2HB LEU 56 2HB LEU 56 -0.748 11.200 -1.891 453 HG LEU 56 HG LEU 56 -1.117 8.212 -1.859 454 1HD1 LEU 56 1HD1 LEU 56 -0.133 10.087 -4.001 455 2HD1 LEU 56 2HD1 LEU 56 -1.675 9.229 -3.992 456 3HD1 LEU 56 3HD1 LEU 56 -0.165 8.327 -4.108 457 1HD2 LEU 56 1HD2 LEU 56 0.885 8.863 -0.618 458 2HD2 LEU 56 2HD2 LEU 56 1.421 9.841 -1.989 459 3HD2 LEU 56 3HD2 LEU 56 1.305 8.087 -2.148 460 H SER 57 H SER 57 -3.664 10.550 0.614 461 HA SER 57 HA SER 57 -3.664 13.443 0.805 462 1HB SER 57 1HB SER 57 -5.433 12.256 -0.410 463 2HB SER 57 2HB SER 57 -5.954 11.500 1.091 464 HG SER 57 HG SER 57 -7.080 13.496 0.356 465 H ASN 58 H ASN 58 -4.498 10.677 2.842 466 HA ASN 58 HA ASN 58 -4.797 12.335 5.206 467 1HB ASN 58 1HB ASN 58 -6.248 10.326 4.711 468 2HB ASN 58 2HB ASN 58 -4.835 9.321 4.973 469 1HD2 ASN 58 1HD2 ASN 58 -5.668 12.213 6.807 470 2HD2 ASN 58 2HD2 ASN 58 -5.951 11.384 8.306 471 H ARG 59 H ARG 59 -2.863 9.538 4.211 472 HA ARG 59 HA ARG 59 -0.801 8.791 4.794 473 1HB ARG 59 1HB ARG 59 -0.245 11.132 3.922 474 2HB ARG 59 2HB ARG 59 -0.116 11.612 5.608 475 1HG ARG 59 1HG ARG 59 1.678 10.036 5.963 476 2HG ARG 59 2HG ARG 59 1.502 9.425 4.317 477 1HD ARG 59 1HD ARG 59 2.016 11.736 3.497 478 2HD ARG 59 2HD ARG 59 2.385 12.183 5.161 479 HE ARG 59 HE ARG 59 3.896 9.915 4.499 480 1HH1 ARG 59 1HH1 ARG 59 3.679 13.308 3.684 481 2HH1 ARG 59 2HH1 ARG 59 5.351 13.450 3.227 482 1HH2 ARG 59 1HH2 ARG 59 6.108 10.088 3.904 483 2HH2 ARG 59 2HH2 ARG 59 6.735 11.615 3.367 Start of MODEL 7 1 1H GLY 1 1H GLY 1 -12.208 -6.665 9.578 2 2H GLY 1 2H GLY 1 -13.697 -6.411 8.804 3 3H GLY 1 3H GLY 1 -12.474 -5.239 8.699 4 1HA GLY 1 1HA GLY 1 -12.375 -7.973 7.555 5 2HA GLY 1 2HA GLY 1 -12.622 -6.487 6.649 6 H ALA 2 H ALA 2 -10.897 -5.239 6.097 7 HA ALA 2 HA ALA 2 -8.289 -6.504 6.535 8 1HB ALA 2 1HB ALA 2 -7.533 -5.239 4.607 9 2HB ALA 2 2HB ALA 2 -9.079 -4.393 4.531 10 3HB ALA 2 3HB ALA 2 -9.006 -6.127 4.218 11 H MET 3 H MET 3 -9.283 -5.111 8.714 12 HA MET 3 HA MET 3 -8.314 -2.426 8.794 13 1HB MET 3 1HB MET 3 -10.125 -2.856 10.230 14 2HB MET 3 2HB MET 3 -9.426 -4.363 10.807 15 1HG MET 3 1HG MET 3 -7.654 -3.030 11.910 16 2HG MET 3 2HG MET 3 -8.539 -1.570 11.476 17 1HE MET 3 1HE MET 3 -10.032 -5.048 12.517 18 2HE MET 3 2HE MET 3 -10.207 -4.853 14.262 19 3HE MET 3 3HE MET 3 -8.598 -4.912 13.539 20 H GLU 4 H GLU 4 -7.272 -5.538 10.089 21 HA GLU 4 HA GLU 4 -4.889 -4.639 11.323 22 1HB GLU 4 1HB GLU 4 -6.095 -6.786 11.778 23 2HB GLU 4 2HB GLU 4 -5.471 -7.368 10.251 24 1HG GLU 4 1HG GLU 4 -3.182 -6.899 11.112 25 2HG GLU 4 2HG GLU 4 -3.926 -6.618 12.678 26 H ALA 5 H ALA 5 -5.602 -6.113 8.194 27 HA ALA 5 HA ALA 5 -3.008 -6.132 7.153 28 1HB ALA 5 1HB ALA 5 -4.889 -7.312 6.119 29 2HB ALA 5 2HB ALA 5 -4.066 -6.266 4.961 30 3HB ALA 5 3HB ALA 5 -5.604 -5.767 5.662 31 H GLU 6 H GLU 6 -5.518 -3.631 7.079 32 HA GLU 6 HA GLU 6 -4.233 -1.727 5.493 33 1HB GLU 6 1HB GLU 6 -6.586 -1.617 6.290 34 2HB GLU 6 2HB GLU 6 -5.992 -1.226 7.893 35 1HG GLU 6 1HG GLU 6 -4.915 0.789 6.932 36 2HG GLU 6 2HG GLU 6 -5.705 0.424 5.407 37 H LYS 7 H LYS 7 -4.139 -2.193 8.992 38 HA LYS 7 HA LYS 7 -2.577 -0.092 9.798 39 1HB LYS 7 1HB LYS 7 -2.597 -2.922 10.793 40 2HB LYS 7 2HB LYS 7 -1.727 -1.644 11.612 41 1HG LYS 7 1HG LYS 7 -4.587 -1.240 11.026 42 2HG LYS 7 2HG LYS 7 -4.172 -2.390 12.287 43 1HD LYS 7 1HD LYS 7 -4.578 -0.134 13.183 44 2HD LYS 7 2HD LYS 7 -2.923 -0.678 13.471 45 1HE LYS 7 1HE LYS 7 -2.200 0.600 11.497 46 2HE LYS 7 2HE LYS 7 -3.846 1.203 11.306 47 1HZ LYS 7 1HZ LYS 7 -2.125 1.650 13.690 48 2HZ LYS 7 2HZ LYS 7 -3.694 2.255 13.464 49 3HZ LYS 7 3HZ LYS 7 -2.428 2.789 12.476 50 H GLU 8 H GLU 8 -1.311 -3.315 8.872 51 HA GLU 8 HA GLU 8 1.381 -2.355 8.953 52 1HB GLU 8 1HB GLU 8 0.205 -4.931 7.938 53 2HB GLU 8 2HB GLU 8 1.930 -4.580 7.895 54 1HG GLU 8 1HG GLU 8 1.689 -4.121 10.408 55 2HG GLU 8 2HG GLU 8 0.151 -4.967 10.267 56 H PHE 9 H PHE 9 -1.026 -2.687 6.456 57 HA PHE 9 HA PHE 9 0.579 -2.465 4.161 58 1HB PHE 9 1HB PHE 9 -1.937 -2.917 4.362 59 2HB PHE 9 2HB PHE 9 -2.147 -1.185 4.534 60 HD1 PHE 9 HD1 PHE 9 -3.208 -3.228 2.451 61 HD2 PHE 9 HD2 PHE 9 -0.030 -0.400 2.399 62 HE1 PHE 9 HE1 PHE 9 -3.432 -3.035 0.015 63 HE2 PHE 9 HE2 PHE 9 -0.248 -0.202 -0.049 64 HZ PHE 9 HZ PHE 9 -1.966 -1.516 -1.246 65 H ILE 10 H ILE 10 -0.776 0.024 6.314 66 HA ILE 10 HA ILE 10 0.270 2.236 4.846 67 HB ILE 10 HB ILE 10 -0.553 2.045 7.746 68 1HG1 ILE 10 1HG1 ILE 10 -2.328 1.539 6.080 69 2HG1 ILE 10 2HG1 ILE 10 -2.652 2.976 7.036 70 1HG2 ILE 10 1HG2 ILE 10 -0.068 4.487 6.040 71 2HG2 ILE 10 2HG2 ILE 10 0.923 3.945 7.401 72 3HG2 ILE 10 3HG2 ILE 10 -0.737 4.491 7.678 73 1HD1 ILE 10 1HD1 ILE 10 -3.246 3.318 4.709 74 2HD1 ILE 10 2HD1 ILE 10 -1.596 2.929 4.220 75 3HD1 ILE 10 3HD1 ILE 10 -1.916 4.378 5.174 76 H THR 11 H THR 11 1.405 0.259 7.492 77 HA THR 11 HA THR 11 3.618 1.827 8.245 78 HB THR 11 HB THR 11 3.389 -1.172 8.500 79 HG1 THR 11 HG1 THR 11 1.547 0.025 9.363 80 1HG2 THR 11 1HG2 THR 11 5.606 -0.266 9.028 81 2HG2 THR 11 2HG2 THR 11 4.797 -0.860 10.480 82 3HG2 THR 11 3HG2 THR 11 4.873 0.873 10.158 83 H MET 12 H MET 12 3.268 -0.726 5.866 84 HA MET 12 HA MET 12 6.072 -0.893 5.321 85 1HB MET 12 1HB MET 12 5.335 -2.343 3.403 86 2HB MET 12 2HB MET 12 4.794 -2.891 4.976 87 1HG MET 12 1HG MET 12 2.615 -1.780 4.534 88 2HG MET 12 2HG MET 12 3.185 -1.488 2.898 89 1HE MET 12 1HE MET 12 3.113 -4.841 1.169 90 2HE MET 12 2HE MET 12 4.440 -3.780 1.644 91 3HE MET 12 3HE MET 12 2.946 -3.093 1.000 92 H LEU 13 H LEU 13 3.349 0.938 4.189 93 HA LEU 13 HA LEU 13 4.527 1.851 1.817 94 1HB LEU 13 1HB LEU 13 2.437 3.050 3.589 95 2HB LEU 13 2HB LEU 13 2.928 3.767 2.063 96 HG LEU 13 HG LEU 13 1.843 0.967 2.305 97 1HD1 LEU 13 1HD1 LEU 13 0.197 2.554 3.052 98 2HD1 LEU 13 2HD1 LEU 13 -0.244 1.907 1.472 99 3HD1 LEU 13 3HD1 LEU 13 0.446 3.525 1.603 100 1HD2 LEU 13 1HD2 LEU 13 3.198 1.396 0.316 101 2HD2 LEU 13 2HD2 LEU 13 2.199 2.800 -0.060 102 3HD2 LEU 13 3HD2 LEU 13 1.496 1.184 -0.096 103 H LYS 14 H LYS 14 4.591 3.054 5.143 104 HA LYS 14 HA LYS 14 6.165 5.350 4.539 105 1HB LYS 14 1HB LYS 14 5.475 3.909 7.081 106 2HB LYS 14 2HB LYS 14 6.704 5.170 7.082 107 1HG LYS 14 1HG LYS 14 5.062 6.626 7.385 108 2HG LYS 14 2HG LYS 14 4.559 6.292 5.730 109 1HD LYS 14 1HD LYS 14 2.698 6.062 7.279 110 2HD LYS 14 2HD LYS 14 3.094 4.525 6.509 111 1HE LYS 14 1HE LYS 14 2.644 4.229 8.892 112 2HE LYS 14 2HE LYS 14 4.317 3.829 8.503 113 1HZ LYS 14 1HZ LYS 14 5.017 5.955 9.358 114 2HZ LYS 14 2HZ LYS 14 4.097 5.157 10.538 115 3HZ LYS 14 3HZ LYS 14 3.408 6.420 9.643 116 H GLU 15 H GLU 15 6.871 2.063 5.539 117 HA GLU 15 HA GLU 15 9.616 2.525 6.027 118 1HB GLU 15 1HB GLU 15 7.873 0.128 5.832 119 2HB GLU 15 2HB GLU 15 9.592 -0.017 6.082 120 1HG GLU 15 1HG GLU 15 9.409 1.282 8.108 121 2HG GLU 15 2HG GLU 15 7.683 1.476 7.849 122 H ASN 16 H ASN 16 7.835 1.982 3.152 123 HA ASN 16 HA ASN 16 10.314 1.226 1.755 124 1HB ASN 16 1HB ASN 16 8.070 -0.113 1.488 125 2HB ASN 16 2HB ASN 16 7.682 1.184 0.360 126 1HD2 ASN 16 1HD2 ASN 16 10.969 0.215 0.879 127 2HD2 ASN 16 2HD2 ASN 16 11.198 -0.557 -0.647 128 H GLN 17 H GLN 17 9.326 3.921 2.721 129 HA GLN 17 HA GLN 17 9.554 6.072 2.090 130 1HB GLN 17 1HB GLN 17 11.172 4.595 0.097 131 2HB GLN 17 2HB GLN 17 10.972 6.337 -0.086 132 1HG GLN 17 1HG GLN 17 11.966 6.735 2.037 133 2HG GLN 17 2HG GLN 17 11.937 5.023 2.431 134 1HE2 GLN 17 1HE2 GLN 17 13.455 3.644 1.453 135 2HE2 GLN 17 2HE2 GLN 17 14.888 4.263 0.701 136 H VAL 18 H VAL 18 7.164 4.678 1.235 137 HA VAL 18 HA VAL 18 6.585 5.457 -1.469 138 HB VAL 18 HB VAL 18 4.686 4.484 0.675 139 1HG1 VAL 18 1HG1 VAL 18 3.249 3.855 -1.236 140 2HG1 VAL 18 2HG1 VAL 18 4.387 4.669 -2.323 141 3HG1 VAL 18 3HG1 VAL 18 3.503 5.601 -1.105 142 1HG2 VAL 18 1HG2 VAL 18 6.384 2.819 0.313 143 2HG2 VAL 18 2HG2 VAL 18 6.203 2.955 -1.435 144 3HG2 VAL 18 3HG2 VAL 18 4.892 2.289 -0.464 145 H ASP 19 H ASP 19 5.834 7.333 -2.137 146 HA ASP 19 HA ASP 19 3.907 8.775 -0.535 147 1HB ASP 19 1HB ASP 19 4.974 10.904 -0.594 148 2HB ASP 19 2HB ASP 19 6.170 9.778 0.027 149 H SER 20 H SER 20 4.015 11.091 -2.269 150 HA SER 20 HA SER 20 2.284 10.174 -4.286 151 1HB SER 20 1HB SER 20 3.654 12.821 -4.087 152 2HB SER 20 2HB SER 20 2.195 12.476 -4.999 153 HG SER 20 HG SER 20 1.725 13.416 -2.959 154 H THR 21 H THR 21 5.659 10.136 -4.189 155 HA THR 21 HA THR 21 6.119 10.483 -7.007 156 HB THR 21 HB THR 21 8.398 9.692 -6.551 157 HG1 THR 21 HG1 THR 21 7.826 9.522 -3.782 158 1HG2 THR 21 1HG2 THR 21 7.888 12.041 -6.162 159 2HG2 THR 21 2HG2 THR 21 9.073 11.464 -4.989 160 3HG2 THR 21 3HG2 THR 21 7.389 11.674 -4.511 161 H TRP 22 H TRP 22 5.001 7.950 -5.043 162 HA TRP 22 HA TRP 22 5.894 5.791 -6.773 163 1HB TRP 22 1HB TRP 22 4.407 6.001 -4.218 164 2HB TRP 22 2HB TRP 22 4.190 4.558 -5.176 165 HD1 TRP 22 HD1 TRP 22 7.397 6.514 -4.051 166 HE1 TRP 22 HE1 TRP 22 8.997 4.767 -3.012 167 HE3 TRP 22 HE3 TRP 22 4.554 2.356 -4.631 168 HZ2 TRP 22 HZ2 TRP 22 8.981 1.947 -2.509 169 HZ3 TRP 22 HZ3 TRP 22 5.345 0.213 -3.826 170 HH2 TRP 22 HH2 TRP 22 7.518 0.011 -2.789 171 H SER 23 H SER 23 4.847 5.420 -8.625 172 HA SER 23 HA SER 23 2.010 5.876 -8.913 173 1HB SER 23 1HB SER 23 3.821 4.325 -10.750 174 2HB SER 23 2HB SER 23 2.317 5.141 -11.165 175 HG SER 23 HG SER 23 3.598 6.727 -11.704 176 H PHE 24 H PHE 24 0.622 3.871 -9.660 177 HA PHE 24 HA PHE 24 0.938 1.933 -7.508 178 1HB PHE 24 1HB PHE 24 -1.215 3.047 -8.373 179 2HB PHE 24 2HB PHE 24 -1.116 1.933 -9.721 180 HD1 PHE 24 HD1 PHE 24 -1.522 2.165 -6.068 181 HD2 PHE 24 HD2 PHE 24 -1.876 -0.282 -9.526 182 HE1 PHE 24 HE1 PHE 24 -2.797 0.518 -4.764 183 HE2 PHE 24 HE2 PHE 24 -3.151 -1.938 -8.230 184 HZ PHE 24 HZ PHE 24 -3.618 -1.532 -5.844 185 H SER 25 H SER 25 2.521 2.226 -10.140 186 HA SER 25 HA SER 25 2.481 -0.516 -11.079 187 1HB SER 25 1HB SER 25 2.843 1.285 -12.729 188 2HB SER 25 2HB SER 25 4.262 1.826 -11.834 189 HG SER 25 HG SER 25 5.327 0.463 -13.006 190 H ARG 26 H ARG 26 4.211 1.689 -9.053 191 HA ARG 26 HA ARG 26 6.460 -0.013 -8.600 192 1HB ARG 26 1HB ARG 26 6.271 2.567 -8.270 193 2HB ARG 26 2HB ARG 26 5.561 2.149 -6.727 194 1HG ARG 26 1HG ARG 26 7.522 1.124 -5.987 195 2HG ARG 26 2HG ARG 26 8.212 1.114 -7.607 196 1HD ARG 26 1HD ARG 26 7.905 3.707 -7.427 197 2HD ARG 26 2HD ARG 26 7.873 3.367 -5.707 198 HE ARG 26 HE ARG 26 10.067 2.042 -6.823 199 1HH1 ARG 26 1HH1 ARG 26 9.010 5.288 -6.104 200 2HH1 ARG 26 2HH1 ARG 26 10.616 5.924 -5.963 201 1HH2 ARG 26 1HH2 ARG 26 12.176 2.836 -6.612 202 2HH2 ARG 26 2HH2 ARG 26 12.431 4.530 -6.290 203 H ILE 27 H ILE 27 3.358 0.556 -7.084 204 HA ILE 27 HA ILE 27 3.816 -0.972 -4.734 205 HB ILE 27 HB ILE 27 1.212 -0.391 -6.175 206 1HG1 ILE 27 1HG1 ILE 27 2.607 0.975 -3.863 207 2HG1 ILE 27 2HG1 ILE 27 2.385 1.631 -5.482 208 1HG2 ILE 27 1HG2 ILE 27 0.129 -0.923 -4.051 209 2HG2 ILE 27 2HG2 ILE 27 1.692 -1.368 -3.361 210 3HG2 ILE 27 3HG2 ILE 27 1.008 -2.316 -4.682 211 1HD1 ILE 27 1HD1 ILE 27 0.827 2.611 -3.907 212 2HD1 ILE 27 2HD1 ILE 27 0.196 1.011 -3.515 213 3HD1 ILE 27 3HD1 ILE 27 -0.024 1.675 -5.136 214 H ILE 28 H ILE 28 2.441 -1.837 -7.954 215 HA ILE 28 HA ILE 28 2.222 -4.595 -7.202 216 HB ILE 28 HB ILE 28 2.297 -3.375 -9.968 217 1HG1 ILE 28 1HG1 ILE 28 -0.034 -4.214 -8.227 218 2HG1 ILE 28 2HG1 ILE 28 0.448 -2.553 -8.554 219 1HG2 ILE 28 1HG2 ILE 28 1.400 -6.117 -9.082 220 2HG2 ILE 28 2HG2 ILE 28 2.860 -5.754 -10.003 221 3HG2 ILE 28 3HG2 ILE 28 1.273 -5.466 -10.717 222 1HD1 ILE 28 1HD1 ILE 28 -0.574 -4.546 -10.563 223 2HD1 ILE 28 2HD1 ILE 28 -0.035 -2.909 -10.936 224 3HD1 ILE 28 3HD1 ILE 28 -1.448 -3.161 -9.910 225 H SER 29 H SER 29 4.735 -2.722 -8.886 226 HA SER 29 HA SER 29 6.118 -5.099 -9.745 227 1HB SER 29 1HB SER 29 5.921 -2.837 -10.958 228 2HB SER 29 2HB SER 29 7.214 -2.309 -9.893 229 HG SER 29 HG SER 29 7.661 -4.729 -11.151 230 H GLU 30 H GLU 30 6.665 -2.597 -7.281 231 HA GLU 30 HA GLU 30 9.186 -3.928 -6.542 232 1HB GLU 30 1HB GLU 30 8.082 -1.212 -5.806 233 2HB GLU 30 2HB GLU 30 9.556 -1.887 -5.130 234 1HG GLU 30 1HG GLU 30 9.129 -1.444 -8.050 235 2HG GLU 30 2HG GLU 30 9.880 -0.262 -6.988 236 H LEU 31 H LEU 31 6.025 -3.072 -5.363 237 HA LEU 31 HA LEU 31 6.830 -3.460 -2.609 238 1HB LEU 31 1HB LEU 31 5.257 -1.677 -3.691 239 2HB LEU 31 2HB LEU 31 4.033 -2.904 -3.485 240 HG LEU 31 HG LEU 31 4.292 -2.862 -1.129 241 1HD1 LEU 31 1HD1 LEU 31 5.913 -1.433 0.004 242 2HD1 LEU 31 2HD1 LEU 31 6.576 -0.966 -1.564 243 3HD1 LEU 31 3HD1 LEU 31 6.708 -2.636 -1.012 244 1HD2 LEU 31 1HD2 LEU 31 2.882 -1.120 -2.049 245 2HD2 LEU 31 2HD2 LEU 31 4.281 -0.057 -2.195 246 3HD2 LEU 31 3HD2 LEU 31 3.712 -0.549 -0.600 247 H GLY 32 H GLY 32 4.779 -5.002 -5.012 248 1HA GLY 32 1HA GLY 32 3.550 -6.928 -3.395 249 2HA GLY 32 2HA GLY 32 3.877 -7.102 -5.112 250 H THR 33 H THR 33 6.598 -7.145 -5.241 251 HA THR 33 HA THR 33 7.104 -9.805 -4.237 252 HB THR 33 HB THR 33 9.187 -9.666 -5.543 253 HG1 THR 33 HG1 THR 33 9.775 -7.568 -5.623 254 1HG2 THR 33 1HG2 THR 33 7.108 -10.459 -6.582 255 2HG2 THR 33 2HG2 THR 33 8.141 -9.626 -7.747 256 3HG2 THR 33 3HG2 THR 33 6.729 -8.804 -7.072 257 H ARG 34 H ARG 34 7.620 -6.714 -3.076 258 HA ARG 34 HA ARG 34 10.159 -7.148 -1.824 259 1HB ARG 34 1HB ARG 34 9.293 -4.969 -2.699 260 2HB ARG 34 2HB ARG 34 8.206 -4.964 -1.325 261 1HG ARG 34 1HG ARG 34 10.061 -4.978 0.182 262 2HG ARG 34 2HG ARG 34 11.196 -5.041 -1.166 263 1HD ARG 34 1HD ARG 34 9.160 -2.887 -0.806 264 2HD ARG 34 2HD ARG 34 10.791 -2.763 -0.153 265 HE ARG 34 HE ARG 34 9.985 -2.592 -2.959 266 1HH1 ARG 34 1HH1 ARG 34 12.548 -2.709 -0.571 267 2HH1 ARG 34 2HH1 ARG 34 13.783 -2.175 -1.674 268 1HH2 ARG 34 1HH2 ARG 34 11.620 -1.857 -4.427 269 2HH2 ARG 34 2HH2 ARG 34 13.248 -1.659 -3.854 270 H ASP 35 H ASP 35 6.773 -6.918 -0.838 271 HA ASP 35 HA ASP 35 7.489 -8.222 1.686 272 1HB ASP 35 1HB ASP 35 7.332 -5.673 1.891 273 2HB ASP 35 2HB ASP 35 5.605 -5.870 1.626 274 HA PRO 36 HA PRO 36 4.069 -10.732 0.444 275 1HB PRO 36 1HB PRO 36 4.163 -11.740 3.206 276 2HB PRO 36 2HB PRO 36 4.425 -12.599 1.685 277 1HG PRO 36 1HG PRO 36 6.449 -12.054 3.361 278 2HG PRO 36 2HG PRO 36 6.658 -12.044 1.601 279 1HD PRO 36 1HD PRO 36 6.332 -9.738 3.484 280 2HD PRO 36 2HD PRO 36 7.413 -9.911 2.085 281 H ARG 37 H ARG 37 3.977 -8.440 3.028 282 HA ARG 37 HA ARG 37 1.388 -8.948 3.988 283 1HB ARG 37 1HB ARG 37 3.170 -6.565 4.024 284 2HB ARG 37 2HB ARG 37 1.517 -6.464 4.622 285 1HG ARG 37 1HG ARG 37 1.897 -8.225 6.176 286 2HG ARG 37 2HG ARG 37 3.505 -8.497 5.518 287 1HD ARG 37 1HD ARG 37 2.600 -5.952 6.824 288 2HD ARG 37 2HD ARG 37 3.473 -7.255 7.616 289 HE ARG 37 HE ARG 37 4.879 -6.427 5.314 290 1HH1 ARG 37 1HH1 ARG 37 4.152 -5.434 8.604 291 2HH1 ARG 37 2HH1 ARG 37 5.584 -4.448 8.752 292 1HH2 ARG 37 1HH2 ARG 37 6.754 -5.167 5.510 293 2HH2 ARG 37 2HH2 ARG 37 7.055 -4.285 6.981 294 H TYR 38 H TYR 38 2.448 -7.518 1.017 295 HA TYR 38 HA TYR 38 0.050 -6.099 0.445 296 1HB TYR 38 1HB TYR 38 2.173 -5.676 -0.759 297 2HB TYR 38 2HB TYR 38 2.080 -7.283 -1.470 298 HD1 TYR 38 HD1 TYR 38 0.913 -7.628 -3.473 299 HD2 TYR 38 HD2 TYR 38 0.275 -4.035 -1.288 300 HE1 TYR 38 HE1 TYR 38 -0.433 -6.746 -5.330 301 HE2 TYR 38 HE2 TYR 38 -1.073 -3.144 -3.141 302 HH TYR 38 HH TYR 38 -2.313 -5.030 -5.576 303 H TRP 39 H TRP 39 0.986 -9.403 0.381 304 HA TRP 39 HA TRP 39 -1.340 -10.176 -1.226 305 1HB TRP 39 1HB TRP 39 0.906 -11.946 -0.248 306 2HB TRP 39 2HB TRP 39 -0.291 -12.323 -1.485 307 HD1 TRP 39 HD1 TRP 39 3.162 -11.175 -1.150 308 HE1 TRP 39 HE1 TRP 39 4.014 -10.144 -3.348 309 HE3 TRP 39 HE3 TRP 39 -1.306 -10.622 -3.577 310 HZ2 TRP 39 HZ2 TRP 39 2.937 -9.217 -5.786 311 HZ3 TRP 39 HZ3 TRP 39 -1.309 -9.643 -5.833 312 HH2 TRP 39 HH2 TRP 39 0.775 -8.954 -6.911 313 H MET 40 H MET 40 -0.125 -10.122 1.985 314 HA MET 40 HA MET 40 -1.520 -12.085 3.301 315 1HB MET 40 1HB MET 40 0.095 -10.224 4.168 316 2HB MET 40 2HB MET 40 -1.377 -9.294 4.391 317 1HG MET 40 1HG MET 40 -2.254 -10.949 5.890 318 2HG MET 40 2HG MET 40 -0.867 -11.991 5.579 319 1HE MET 40 1HE MET 40 -0.612 -8.151 5.793 320 2HE MET 40 2HE MET 40 -0.340 -7.847 7.511 321 3HE MET 40 3HE MET 40 -1.912 -8.425 6.954 322 H VAL 41 H VAL 41 -2.602 -8.808 2.497 323 HA VAL 41 HA VAL 41 -5.388 -9.564 2.862 324 HB VAL 41 HB VAL 41 -4.755 -7.290 3.505 325 1HG1 VAL 41 1HG1 VAL 41 -2.871 -6.925 2.046 326 2HG1 VAL 41 2HG1 VAL 41 -4.057 -5.637 1.837 327 3HG1 VAL 41 3HG1 VAL 41 -3.933 -6.926 0.637 328 1HG2 VAL 41 1HG2 VAL 41 -7.013 -7.626 2.693 329 2HG2 VAL 41 2HG2 VAL 41 -6.476 -7.334 1.037 330 3HG2 VAL 41 3HG2 VAL 41 -6.421 -6.031 2.226 331 H ASP 42 H ASP 42 -6.708 -10.175 1.187 332 HA ASP 42 HA ASP 42 -5.626 -10.957 -1.247 333 1HB ASP 42 1HB ASP 42 -8.155 -10.847 -1.905 334 2HB ASP 42 2HB ASP 42 -7.570 -12.074 -0.812 335 H ASP 43 H ASP 43 -5.862 -10.098 -3.315 336 HA ASP 43 HA ASP 43 -5.237 -7.287 -3.079 337 1HB ASP 43 1HB ASP 43 -3.740 -8.850 -4.295 338 2HB ASP 43 2HB ASP 43 -4.995 -9.044 -5.518 339 H ASP 44 H ASP 44 -7.091 -6.207 -2.877 340 HA ASP 44 HA ASP 44 -8.871 -6.152 -5.205 341 1HB ASP 44 1HB ASP 44 -9.849 -6.261 -2.867 342 2HB ASP 44 2HB ASP 44 -9.170 -4.660 -2.577 343 HA PRO 45 HA PRO 45 -5.952 -2.926 -6.391 344 1HB PRO 45 1HB PRO 45 -7.747 -2.854 -8.726 345 2HB PRO 45 2HB PRO 45 -6.000 -3.031 -8.656 346 1HG PRO 45 1HG PRO 45 -7.515 -5.116 -9.254 347 2HG PRO 45 2HG PRO 45 -6.098 -5.292 -8.199 348 1HD PRO 45 1HD PRO 45 -8.988 -5.132 -7.460 349 2HD PRO 45 2HD PRO 45 -7.714 -6.196 -6.833 350 H LEU 46 H LEU 46 -9.445 -2.746 -6.278 351 HA LEU 46 HA LEU 46 -9.555 0.086 -6.699 352 1HB LEU 46 1HB LEU 46 -11.380 -1.796 -6.989 353 2HB LEU 46 2HB LEU 46 -11.714 -1.428 -5.313 354 HG LEU 46 HG LEU 46 -13.189 -0.261 -6.962 355 1HD1 LEU 46 1HD1 LEU 46 -13.102 1.913 -5.865 356 2HD1 LEU 46 2HD1 LEU 46 -11.518 1.518 -5.200 357 3HD1 LEU 46 3HD1 LEU 46 -12.937 0.597 -4.702 358 1HD2 LEU 46 1HD2 LEU 46 -11.533 0.163 -8.684 359 2HD2 LEU 46 2HD2 LEU 46 -10.655 1.238 -7.598 360 3HD2 LEU 46 3HD2 LEU 46 -12.272 1.670 -8.149 361 H TRP 47 H TRP 47 -9.599 -2.075 -3.885 362 HA TRP 47 HA TRP 47 -9.768 0.078 -2.003 363 1HB TRP 47 1HB TRP 47 -10.550 -2.119 -1.337 364 2HB TRP 47 2HB TRP 47 -8.944 -2.796 -1.596 365 HD1 TRP 47 HD1 TRP 47 -10.520 -0.014 0.619 366 HE1 TRP 47 HE1 TRP 47 -9.342 -0.058 2.909 367 HE3 TRP 47 HE3 TRP 47 -7.106 -3.666 -0.328 368 HZ2 TRP 47 HZ2 TRP 47 -7.220 -1.464 4.144 369 HZ3 TRP 47 HZ3 TRP 47 -5.523 -4.307 1.451 370 HH2 TRP 47 HH2 TRP 47 -5.583 -3.224 3.638 371 H LYS 48 H LYS 48 -7.136 -1.838 -3.371 372 HA LYS 48 HA LYS 48 -5.088 -0.704 -1.801 373 1HB LYS 48 1HB LYS 48 -5.197 -2.207 -4.347 374 2HB LYS 48 2HB LYS 48 -3.773 -1.212 -4.111 375 1HG LYS 48 1HG LYS 48 -3.336 -3.460 -3.380 376 2HG LYS 48 2HG LYS 48 -3.348 -2.381 -1.985 377 1HD LYS 48 1HD LYS 48 -5.573 -3.099 -1.400 378 2HD LYS 48 2HD LYS 48 -5.671 -4.100 -2.855 379 1HE LYS 48 1HE LYS 48 -3.804 -4.480 -0.510 380 2HE LYS 48 2HE LYS 48 -5.172 -5.500 -0.941 381 1HZ LYS 48 1HZ LYS 48 -2.616 -5.179 -2.411 382 2HZ LYS 48 2HZ LYS 48 -3.960 -5.938 -3.096 383 3HZ LYS 48 3HZ LYS 48 -3.233 -6.590 -1.706 384 H LYS 49 H LYS 49 -6.726 0.409 -4.723 385 HA LYS 49 HA LYS 49 -4.995 2.652 -5.101 386 1HB LYS 49 1HB LYS 49 -7.657 1.829 -6.201 387 2HB LYS 49 2HB LYS 49 -7.097 3.476 -6.435 388 1HG LYS 49 1HG LYS 49 -5.127 2.640 -7.579 389 2HG LYS 49 2HG LYS 49 -5.670 0.982 -7.292 390 1HD LYS 49 1HD LYS 49 -7.883 1.991 -8.430 391 2HD LYS 49 2HD LYS 49 -6.663 3.002 -9.208 392 1HE LYS 49 1HE LYS 49 -6.502 0.017 -9.074 393 2HE LYS 49 2HE LYS 49 -7.260 0.876 -10.417 394 1HZ LYS 49 1HZ LYS 49 -4.920 0.275 -10.848 395 2HZ LYS 49 2HZ LYS 49 -4.445 1.263 -9.554 396 3HZ LYS 49 3HZ LYS 49 -5.189 1.950 -10.907 397 H GLU 50 H GLU 50 -8.137 2.121 -3.573 398 HA GLU 50 HA GLU 50 -8.735 4.775 -2.916 399 1HB GLU 50 1HB GLU 50 -9.582 2.133 -1.854 400 2HB GLU 50 2HB GLU 50 -9.960 3.564 -0.916 401 1HG GLU 50 1HG GLU 50 -10.994 4.476 -3.068 402 2HG GLU 50 2HG GLU 50 -10.909 2.811 -3.650 403 H MET 51 H MET 51 -7.035 2.282 -1.074 404 HA MET 51 HA MET 51 -6.794 3.968 1.221 405 1HB MET 51 1HB MET 51 -5.762 2.147 2.287 406 2HB MET 51 2HB MET 51 -6.914 1.406 1.187 407 1HG MET 51 1HG MET 51 -5.137 0.091 0.739 408 2HG MET 51 2HG MET 51 -4.774 1.389 -0.388 409 1HE MET 51 1HE MET 51 -4.571 1.554 3.456 410 2HE MET 51 2HE MET 51 -2.912 1.015 3.768 411 3HE MET 51 3HE MET 51 -4.101 -0.109 3.082 412 H PHE 52 H PHE 52 -4.889 3.256 -1.602 413 HA PHE 52 HA PHE 52 -2.441 4.340 -0.608 414 1HB PHE 52 1HB PHE 52 -2.477 2.731 -2.455 415 2HB PHE 52 2HB PHE 52 -3.372 3.875 -3.447 416 HD1 PHE 52 HD1 PHE 52 -2.100 4.737 -5.133 417 HD2 PHE 52 HD2 PHE 52 -0.300 4.093 -1.330 418 HE1 PHE 52 HE1 PHE 52 0.011 5.675 -5.976 419 HE2 PHE 52 HE2 PHE 52 1.814 5.031 -2.168 420 HZ PHE 52 HZ PHE 52 1.971 5.823 -4.495 421 H GLU 53 H GLU 53 -5.141 5.611 -2.537 422 HA GLU 53 HA GLU 53 -3.926 8.177 -2.864 423 1HB GLU 53 1HB GLU 53 -6.799 7.313 -3.142 424 2HB GLU 53 2HB GLU 53 -6.203 8.904 -3.571 425 1HG GLU 53 1HG GLU 53 -4.636 7.770 -5.133 426 2HG GLU 53 2HG GLU 53 -5.500 6.280 -4.804 427 H LYS 54 H LYS 54 -5.782 6.624 -0.412 428 HA LYS 54 HA LYS 54 -6.363 8.960 1.116 429 1HB LYS 54 1HB LYS 54 -7.502 6.776 1.468 430 2HB LYS 54 2HB LYS 54 -5.986 6.121 2.074 431 1HG LYS 54 1HG LYS 54 -6.919 6.679 4.047 432 2HG LYS 54 2HG LYS 54 -6.188 8.254 3.673 433 1HD LYS 54 1HD LYS 54 -8.280 9.038 2.764 434 2HD LYS 54 2HD LYS 54 -9.015 7.447 2.953 435 1HE LYS 54 1HE LYS 54 -8.650 7.648 5.408 436 2HE LYS 54 2HE LYS 54 -8.101 9.299 5.138 437 1HZ LYS 54 1HZ LYS 54 -10.791 8.249 4.443 438 2HZ LYS 54 2HZ LYS 54 -10.260 9.849 4.225 439 3HZ LYS 54 3HZ LYS 54 -10.431 9.215 5.792 440 H TYR 55 H TYR 55 -3.733 6.657 0.917 441 HA TYR 55 HA TYR 55 -2.379 7.628 3.219 442 1HB TYR 55 1HB TYR 55 -1.950 5.386 2.515 443 2HB TYR 55 2HB TYR 55 -1.527 5.898 0.893 444 HD1 TYR 55 HD1 TYR 55 0.694 6.158 0.322 445 HD2 TYR 55 HD2 TYR 55 -0.388 6.261 4.434 446 HE1 TYR 55 HE1 TYR 55 3.070 6.245 0.935 447 HE2 TYR 55 HE2 TYR 55 1.990 6.350 5.061 448 HH TYR 55 HH TYR 55 4.484 6.855 2.701 449 H LEU 56 H LEU 56 -2.526 8.602 -0.070 450 HA LEU 56 HA LEU 56 -0.113 10.163 0.122 451 1HB LEU 56 1HB LEU 56 -2.162 9.991 -2.081 452 2HB LEU 56 2HB LEU 56 -0.635 10.824 -2.178 453 HG LEU 56 HG LEU 56 -1.061 7.859 -1.960 454 1HD1 LEU 56 1HD1 LEU 56 -1.421 8.786 -4.180 455 2HD1 LEU 56 2HD1 LEU 56 0.054 7.820 -4.137 456 3HD1 LEU 56 3HD1 LEU 56 0.153 9.581 -4.119 457 1HD2 LEU 56 1HD2 LEU 56 1.376 7.650 -2.063 458 2HD2 LEU 56 2HD2 LEU 56 0.855 8.491 -0.598 459 3HD2 LEU 56 3HD2 LEU 56 1.530 9.408 -1.950 460 H SER 57 H SER 57 -3.574 10.682 0.254 461 HA SER 57 HA SER 57 -3.168 13.565 0.212 462 1HB SER 57 1HB SER 57 -4.927 12.586 -1.187 463 2HB SER 57 2HB SER 57 -5.753 12.007 0.257 464 HG SER 57 HG SER 57 -5.091 14.741 -0.102 465 H ASN 58 H ASN 58 -4.827 11.151 2.230 466 HA ASN 58 HA ASN 58 -5.158 12.947 4.439 467 1HB ASN 58 1HB ASN 58 -6.536 10.823 3.867 468 2HB ASN 58 2HB ASN 58 -5.225 9.947 4.629 469 1HD2 ASN 58 1HD2 ASN 58 -6.285 13.107 5.697 470 2HD2 ASN 58 2HD2 ASN 58 -6.953 12.578 7.202 471 H ARG 59 H ARG 59 -3.183 10.071 3.850 472 HA ARG 59 HA ARG 59 -1.192 9.353 4.678 473 1HB ARG 59 1HB ARG 59 -0.733 12.230 5.511 474 2HB ARG 59 2HB ARG 59 0.497 10.980 5.364 475 1HG ARG 59 1HG ARG 59 -0.158 10.819 2.925 476 2HG ARG 59 2HG ARG 59 -1.079 12.300 3.175 477 1HD ARG 59 1HD ARG 59 0.942 13.474 3.830 478 2HD ARG 59 2HD ARG 59 1.879 11.986 3.672 479 HE ARG 59 HE ARG 59 0.451 12.768 1.286 480 1HH1 ARG 59 1HH1 ARG 59 3.480 12.990 3.050 481 2HH1 ARG 59 2HH1 ARG 59 4.396 13.444 1.636 482 1HH2 ARG 59 1HH2 ARG 59 1.665 13.339 -0.548 483 2HH2 ARG 59 2HH2 ARG 59 3.370 13.636 -0.391 Start of MODEL 8 1 1H GLY 1 1H GLY 1 -13.374 -7.444 4.202 2 2H GLY 1 2H GLY 1 -12.090 -8.426 4.712 3 3H GLY 1 3H GLY 1 -11.772 -6.963 3.920 4 1HA GLY 1 1HA GLY 1 -12.751 -5.736 5.765 5 2HA GLY 1 2HA GLY 1 -13.030 -7.265 6.590 6 H ALA 2 H ALA 2 -10.500 -5.239 5.189 7 HA ALA 2 HA ALA 2 -8.529 -6.593 6.887 8 1HB ALA 2 1HB ALA 2 -7.996 -6.498 4.507 9 2HB ALA 2 2HB ALA 2 -6.848 -5.541 5.444 10 3HB ALA 2 3HB ALA 2 -8.133 -4.739 4.540 11 H MET 3 H MET 3 -8.751 -5.626 8.857 12 HA MET 3 HA MET 3 -8.793 -2.708 9.013 13 1HB MET 3 1HB MET 3 -9.042 -4.841 11.142 14 2HB MET 3 2HB MET 3 -9.085 -3.112 11.466 15 1HG MET 3 1HG MET 3 -11.089 -2.876 10.153 16 2HG MET 3 2HG MET 3 -11.021 -4.576 9.688 17 1HE MET 3 1HE MET 3 -11.435 -2.074 12.701 18 2HE MET 3 2HE MET 3 -10.130 -3.141 13.221 19 3HE MET 3 3HE MET 3 -11.691 -3.194 14.039 20 H GLU 4 H GLU 4 -7.038 -5.293 10.707 21 HA GLU 4 HA GLU 4 -4.847 -3.687 11.420 22 1HB GLU 4 1HB GLU 4 -5.147 -6.657 11.180 23 2HB GLU 4 2HB GLU 4 -3.698 -5.899 11.802 24 1HG GLU 4 1HG GLU 4 -4.773 -5.134 13.693 25 2HG GLU 4 2HG GLU 4 -6.372 -5.299 12.981 26 H ALA 5 H ALA 5 -5.476 -5.802 8.681 27 HA ALA 5 HA ALA 5 -2.919 -5.732 7.528 28 1HB ALA 5 1HB ALA 5 -5.571 -6.098 6.146 29 2HB ALA 5 2HB ALA 5 -4.630 -7.369 6.927 30 3HB ALA 5 3HB ALA 5 -3.986 -6.543 5.510 31 H GLU 6 H GLU 6 -5.694 -3.567 7.149 32 HA GLU 6 HA GLU 6 -4.716 -1.935 5.102 33 1HB GLU 6 1HB GLU 6 -6.994 -1.736 6.016 34 2HB GLU 6 2HB GLU 6 -6.321 -1.164 7.528 35 1HG GLU 6 1HG GLU 6 -5.337 0.752 6.246 36 2HG GLU 6 2HG GLU 6 -6.320 0.232 4.880 37 H LYS 7 H LYS 7 -4.398 -1.652 8.605 38 HA LYS 7 HA LYS 7 -2.763 0.628 8.611 39 1HB LYS 7 1HB LYS 7 -3.075 -1.547 10.669 40 2HB LYS 7 2HB LYS 7 -2.249 -0.017 10.944 41 1HG LYS 7 1HG LYS 7 -4.331 1.177 10.416 42 2HG LYS 7 2HG LYS 7 -5.156 -0.374 10.245 43 1HD LYS 7 1HD LYS 7 -5.542 0.614 12.445 44 2HD LYS 7 2HD LYS 7 -4.641 -0.900 12.573 45 1HE LYS 7 1HE LYS 7 -2.546 0.421 12.691 46 2HE LYS 7 2HE LYS 7 -3.518 1.892 12.702 47 1HZ LYS 7 1HZ LYS 7 -4.377 1.418 14.780 48 2HZ LYS 7 2HZ LYS 7 -2.758 0.933 14.931 49 3HZ LYS 7 3HZ LYS 7 -3.972 -0.227 14.702 50 H GLU 8 H GLU 8 -1.980 -2.823 8.605 51 HA GLU 8 HA GLU 8 0.817 -2.553 8.791 52 1HB GLU 8 1HB GLU 8 -0.798 -4.700 7.404 53 2HB GLU 8 2HB GLU 8 0.911 -4.815 7.803 54 1HG GLU 8 1HG GLU 8 0.336 -4.592 10.184 55 2HG GLU 8 2HG GLU 8 -1.371 -4.583 9.744 56 H PHE 9 H PHE 9 -1.388 -2.582 6.068 57 HA PHE 9 HA PHE 9 0.484 -2.429 3.978 58 1HB PHE 9 1HB PHE 9 -1.929 -2.907 3.674 59 2HB PHE 9 2HB PHE 9 -2.323 -1.247 4.119 60 HD1 PHE 9 HD1 PHE 9 -1.669 0.607 2.570 61 HD2 PHE 9 HD2 PHE 9 -1.181 -3.486 1.511 62 HE1 PHE 9 HE1 PHE 9 -1.483 1.246 0.201 63 HE2 PHE 9 HE2 PHE 9 -0.992 -2.852 -0.861 64 HZ PHE 9 HZ PHE 9 -1.152 -0.483 -1.520 65 H ILE 10 H ILE 10 -0.964 0.080 6.025 66 HA ILE 10 HA ILE 10 0.219 2.248 4.595 67 HB ILE 10 HB ILE 10 -0.702 2.203 7.469 68 1HG1 ILE 10 1HG1 ILE 10 -2.478 1.491 5.919 69 2HG1 ILE 10 2HG1 ILE 10 -2.821 3.056 6.631 70 1HG2 ILE 10 1HG2 ILE 10 -0.982 4.630 7.155 71 2HG2 ILE 10 2HG2 ILE 10 -0.266 4.487 5.544 72 3HG2 ILE 10 3HG2 ILE 10 0.701 4.113 6.977 73 1HD1 ILE 10 1HD1 ILE 10 -1.727 2.599 3.868 74 2HD1 ILE 10 2HD1 ILE 10 -2.126 4.163 4.582 75 3HD1 ILE 10 3HD1 ILE 10 -3.401 2.985 4.266 76 H THR 11 H THR 11 1.157 0.299 7.368 77 HA THR 11 HA THR 11 3.453 1.774 8.092 78 HB THR 11 HB THR 11 2.934 -1.171 8.534 79 HG1 THR 11 HG1 THR 11 1.714 -0.580 10.210 80 1HG2 THR 11 1HG2 THR 11 5.266 -0.512 8.941 81 2HG2 THR 11 2HG2 THR 11 4.442 -0.928 10.444 82 3HG2 THR 11 3HG2 THR 11 4.713 0.763 10.026 83 H MET 12 H MET 12 2.993 -0.910 5.873 84 HA MET 12 HA MET 12 5.781 -1.251 5.354 85 1HB MET 12 1HB MET 12 5.009 -2.693 3.470 86 2HB MET 12 2HB MET 12 4.314 -3.147 5.014 87 1HG MET 12 1HG MET 12 2.260 -1.985 4.448 88 2HG MET 12 2HG MET 12 2.959 -1.526 2.906 89 1HE MET 12 1HE MET 12 4.336 -3.863 1.657 90 2HE MET 12 2HE MET 12 3.055 -2.960 0.851 91 3HE MET 12 3HE MET 12 3.023 -4.723 0.852 92 H LEU 13 H LEU 13 3.242 0.775 4.230 93 HA LEU 13 HA LEU 13 4.460 1.530 1.803 94 1HB LEU 13 1HB LEU 13 2.314 2.727 3.503 95 2HB LEU 13 2HB LEU 13 2.980 3.644 2.165 96 HG LEU 13 HG LEU 13 0.903 1.733 2.094 97 1HD1 LEU 13 1HD1 LEU 13 0.834 2.356 -0.269 98 2HD1 LEU 13 2HD1 LEU 13 2.422 3.107 -0.102 99 3HD1 LEU 13 3HD1 LEU 13 1.041 3.764 0.776 100 1HD2 LEU 13 1HD2 LEU 13 3.313 0.822 0.521 101 2HD2 LEU 13 2HD2 LEU 13 1.679 0.175 0.381 102 3HD2 LEU 13 3HD2 LEU 13 2.583 -0.033 1.881 103 H LYS 14 H LYS 14 4.600 2.795 5.103 104 HA LYS 14 HA LYS 14 6.360 4.937 4.512 105 1HB LYS 14 1HB LYS 14 5.772 3.439 7.060 106 2HB LYS 14 2HB LYS 14 7.003 4.696 6.990 107 1HG LYS 14 1HG LYS 14 5.387 6.117 7.456 108 2HG LYS 14 2HG LYS 14 4.706 5.785 5.855 109 1HD LYS 14 1HD LYS 14 3.281 4.152 6.668 110 2HD LYS 14 2HD LYS 14 4.196 3.954 8.162 111 1HE LYS 14 1HE LYS 14 3.565 6.251 8.770 112 2HE LYS 14 2HE LYS 14 2.487 6.299 7.377 113 1HZ LYS 14 1HZ LYS 14 1.160 5.713 9.212 114 2HZ LYS 14 2HZ LYS 14 2.288 4.587 9.792 115 3HZ LYS 14 3HZ LYS 14 1.414 4.259 8.382 116 H GLU 15 H GLU 15 6.806 1.556 5.325 117 HA GLU 15 HA GLU 15 9.573 1.565 5.672 118 1HB GLU 15 1HB GLU 15 7.536 -0.496 5.057 119 2HB GLU 15 2HB GLU 15 9.234 -0.900 5.136 120 1HG GLU 15 1HG GLU 15 7.530 0.251 7.313 121 2HG GLU 15 2HG GLU 15 8.263 -1.343 7.246 122 H ASN 16 H ASN 16 7.537 1.159 2.836 123 HA ASN 16 HA ASN 16 9.823 0.557 1.151 124 1HB ASN 16 1HB ASN 16 6.873 0.792 0.555 125 2HB ASN 16 2HB ASN 16 8.085 0.445 -0.671 126 1HD2 ASN 16 1HD2 ASN 16 9.676 -1.176 1.257 127 2HD2 ASN 16 2HD2 ASN 16 8.812 -2.666 1.408 128 H GLN 17 H GLN 17 8.958 3.270 2.484 129 HA GLN 17 HA GLN 17 9.352 5.455 2.095 130 1HB GLN 17 1HB GLN 17 10.922 4.099 -0.023 131 2HB GLN 17 2HB GLN 17 10.856 5.857 0.006 132 1HG GLN 17 1HG GLN 17 11.935 5.965 2.070 133 2HG GLN 17 2HG GLN 17 11.604 4.270 2.426 134 1HE2 GLN 17 1HE2 GLN 17 13.571 6.494 0.614 135 2HE2 GLN 17 2HE2 GLN 17 14.813 5.363 0.182 136 H VAL 18 H VAL 18 6.902 4.312 1.027 137 HA VAL 18 HA VAL 18 6.473 5.392 -1.597 138 HB VAL 18 HB VAL 18 4.404 4.442 0.392 139 1HG1 VAL 18 1HG1 VAL 18 4.289 4.788 -2.604 140 2HG1 VAL 18 2HG1 VAL 18 3.449 5.773 -1.394 141 3HG1 VAL 18 3HG1 VAL 18 3.016 4.069 -1.606 142 1HG2 VAL 18 1HG2 VAL 18 6.020 2.684 -0.011 143 2HG2 VAL 18 2HG2 VAL 18 5.863 2.905 -1.754 144 3HG2 VAL 18 3HG2 VAL 18 4.497 2.299 -0.817 145 H ASP 19 H ASP 19 5.518 7.271 -2.177 146 HA ASP 19 HA ASP 19 4.019 8.866 -0.312 147 1HB ASP 19 1HB ASP 19 5.351 10.888 -0.506 148 2HB ASP 19 2HB ASP 19 6.332 9.602 0.173 149 H SER 20 H SER 20 4.202 11.272 -1.850 150 HA SER 20 HA SER 20 2.135 10.758 -3.654 151 1HB SER 20 1HB SER 20 3.924 13.136 -3.404 152 2HB SER 20 2HB SER 20 2.449 13.106 -4.358 153 HG SER 20 HG SER 20 1.542 13.685 -2.550 154 H THR 21 H THR 21 5.609 10.809 -4.175 155 HA THR 21 HA THR 21 5.339 11.130 -7.035 156 HB THR 21 HB THR 21 7.297 12.030 -5.777 157 HG1 THR 21 HG1 THR 21 7.776 10.165 -7.884 158 1HG2 THR 21 1HG2 THR 21 8.118 9.125 -5.627 159 2HG2 THR 21 2HG2 THR 21 7.664 10.141 -4.259 160 3HG2 THR 21 3HG2 THR 21 9.120 10.507 -5.185 161 H TRP 22 H TRP 22 4.405 8.648 -5.339 162 HA TRP 22 HA TRP 22 5.764 6.549 -6.866 163 1HB TRP 22 1HB TRP 22 4.181 6.653 -4.361 164 2HB TRP 22 2HB TRP 22 4.036 5.192 -5.325 165 HD1 TRP 22 HD1 TRP 22 7.024 7.337 -4.007 166 HE1 TRP 22 HE1 TRP 22 8.817 5.688 -3.157 167 HE3 TRP 22 HE3 TRP 22 4.699 2.955 -5.115 168 HZ2 TRP 22 HZ2 TRP 22 9.146 2.855 -2.986 169 HZ3 TRP 22 HZ3 TRP 22 5.762 0.848 -4.562 170 HH2 TRP 22 HH2 TRP 22 7.940 0.800 -3.539 171 H SER 23 H SER 23 4.823 5.395 -8.420 172 HA SER 23 HA SER 23 2.046 5.934 -9.161 173 1HB SER 23 1HB SER 23 3.873 4.089 -10.646 174 2HB SER 23 2HB SER 23 2.593 5.121 -11.279 175 HG SER 23 HG SER 23 4.052 6.912 -10.523 176 H PHE 24 H PHE 24 0.568 4.038 -9.519 177 HA PHE 24 HA PHE 24 0.977 2.148 -7.330 178 1HB PHE 24 1HB PHE 24 -1.160 3.355 -7.794 179 2HB PHE 24 2HB PHE 24 -1.313 2.455 -9.288 180 HD1 PHE 24 HD1 PHE 24 -2.308 0.344 -9.332 181 HD2 PHE 24 HD2 PHE 24 -1.229 2.095 -5.611 182 HE1 PHE 24 HE1 PHE 24 -3.562 -1.408 -8.148 183 HE2 PHE 24 HE2 PHE 24 -2.469 0.341 -4.418 184 HZ PHE 24 HZ PHE 24 -3.645 -1.407 -5.690 185 H SER 25 H SER 25 2.162 2.226 -10.240 186 HA SER 25 HA SER 25 1.932 -0.616 -10.832 187 1HB SER 25 1HB SER 25 3.696 1.484 -12.130 188 2HB SER 25 2HB SER 25 3.361 -0.134 -12.747 189 HG SER 25 HG SER 25 1.399 0.470 -13.363 190 H ARG 26 H ARG 26 4.011 1.768 -9.466 191 HA ARG 26 HA ARG 26 6.293 0.148 -9.018 192 1HB ARG 26 1HB ARG 26 6.145 2.678 -9.043 193 2HB ARG 26 2HB ARG 26 5.482 2.549 -7.427 194 1HG ARG 26 1HG ARG 26 7.461 1.447 -6.652 195 2HG ARG 26 2HG ARG 26 8.149 1.535 -8.273 196 1HD ARG 26 1HD ARG 26 8.024 3.941 -8.229 197 2HD ARG 26 2HD ARG 26 7.226 3.863 -6.669 198 HE ARG 26 HE ARG 26 9.608 2.540 -6.359 199 1HH1 ARG 26 1HH1 ARG 26 8.583 5.764 -7.262 200 2HH1 ARG 26 2HH1 ARG 26 9.970 6.557 -6.567 201 1HH2 ARG 26 1HH2 ARG 26 11.453 3.566 -5.428 202 2HH2 ARG 26 2HH2 ARG 26 11.595 5.299 -5.492 203 H ILE 27 H ILE 27 3.426 0.995 -7.172 204 HA ILE 27 HA ILE 27 4.040 -0.391 -4.802 205 HB ILE 27 HB ILE 27 1.410 0.280 -6.127 206 1HG1 ILE 27 1HG1 ILE 27 2.881 1.314 -3.702 207 2HG1 ILE 27 2HG1 ILE 27 2.672 2.148 -5.237 208 1HG2 ILE 27 1HG2 ILE 27 1.059 -1.772 -4.853 209 2HG2 ILE 27 2HG2 ILE 27 0.273 -0.399 -4.072 210 3HG2 ILE 27 3HG2 ILE 27 1.792 -1.023 -3.435 211 1HD1 ILE 27 1HD1 ILE 27 0.455 1.408 -3.347 212 2HD1 ILE 27 2HD1 ILE 27 0.301 2.331 -4.842 213 3HD1 ILE 27 3HD1 ILE 27 1.199 3.002 -3.483 214 H ILE 28 H ILE 28 2.101 -1.522 -7.643 215 HA ILE 28 HA ILE 28 1.892 -4.163 -6.686 216 HB ILE 28 HB ILE 28 1.861 -3.186 -9.549 217 1HG1 ILE 28 1HG1 ILE 28 -0.384 -3.744 -7.594 218 2HG1 ILE 28 2HG1 ILE 28 0.160 -2.149 -8.101 219 1HG2 ILE 28 1HG2 ILE 28 0.878 -5.791 -8.392 220 2HG2 ILE 28 2HG2 ILE 28 2.286 -5.588 -9.436 221 3HG2 ILE 28 3HG2 ILE 28 0.668 -5.258 -10.060 222 1HD1 ILE 28 1HD1 ILE 28 -0.525 -2.652 -10.394 223 2HD1 ILE 28 2HD1 ILE 28 -1.867 -2.782 -9.257 224 3HD1 ILE 28 3HD1 ILE 28 -1.087 -4.240 -9.870 225 H SER 29 H SER 29 4.465 -2.599 -8.549 226 HA SER 29 HA SER 29 5.699 -5.092 -9.265 227 1HB SER 29 1HB SER 29 5.832 -3.058 -10.688 228 2HB SER 29 2HB SER 29 6.817 -2.285 -9.451 229 HG SER 29 HG SER 29 7.764 -3.603 -11.387 230 H GLU 30 H GLU 30 6.390 -2.560 -6.848 231 HA GLU 30 HA GLU 30 8.733 -4.087 -6.007 232 1HB GLU 30 1HB GLU 30 7.839 -1.333 -5.141 233 2HB GLU 30 2HB GLU 30 9.370 -2.100 -4.743 234 1HG GLU 30 1HG GLU 30 9.611 -2.223 -7.352 235 2HG GLU 30 2HG GLU 30 8.447 -0.903 -7.301 236 H LEU 31 H LEU 31 5.591 -3.045 -4.820 237 HA LEU 31 HA LEU 31 6.244 -3.865 -2.113 238 1HB LEU 31 1HB LEU 31 3.742 -2.757 -3.382 239 2HB LEU 31 2HB LEU 31 3.768 -3.336 -1.731 240 HG LEU 31 HG LEU 31 5.254 -1.604 -1.061 241 1HD1 LEU 31 1HD1 LEU 31 5.592 -1.013 -3.954 242 2HD1 LEU 31 2HD1 LEU 31 6.818 -1.523 -2.794 243 3HD1 LEU 31 3HD1 LEU 31 6.093 0.079 -2.662 244 1HD2 LEU 31 1HD2 LEU 31 3.195 -0.464 -2.911 245 2HD2 LEU 31 2HD2 LEU 31 4.010 0.414 -1.615 246 3HD2 LEU 31 3HD2 LEU 31 2.940 -0.936 -1.231 247 H GLY 32 H GLY 32 4.750 -5.116 -4.942 248 1HA GLY 32 1HA GLY 32 3.510 -7.373 -3.690 249 2HA GLY 32 2HA GLY 32 3.828 -7.170 -5.408 250 H THR 33 H THR 33 6.733 -6.538 -4.351 251 HA THR 33 HA THR 33 7.557 -9.360 -4.406 252 HB THR 33 HB THR 33 9.688 -8.509 -5.406 253 HG1 THR 33 HG1 THR 33 8.411 -6.261 -6.401 254 1HG2 THR 33 1HG2 THR 33 8.024 -9.630 -6.767 255 2HG2 THR 33 2HG2 THR 33 8.738 -8.288 -7.674 256 3HG2 THR 33 3HG2 THR 33 7.130 -8.118 -6.959 257 H ARG 34 H ARG 34 8.477 -6.159 -3.130 258 HA ARG 34 HA ARG 34 10.674 -6.933 -1.634 259 1HB ARG 34 1HB ARG 34 8.724 -4.733 -1.205 260 2HB ARG 34 2HB ARG 34 10.113 -4.959 -0.160 261 1HG ARG 34 1HG ARG 34 11.554 -4.795 -2.203 262 2HG ARG 34 2HG ARG 34 10.105 -4.328 -3.101 263 1HD ARG 34 1HD ARG 34 9.784 -2.543 -1.356 264 2HD ARG 34 2HD ARG 34 11.414 -2.897 -0.807 265 HE ARG 34 HE ARG 34 10.644 -1.516 -3.249 266 1HH1 ARG 34 1HH1 ARG 34 13.214 -2.949 -1.343 267 2HH1 ARG 34 2HH1 ARG 34 14.480 -2.323 -2.359 268 1HH2 ARG 34 1HH2 ARG 34 12.321 -0.706 -4.580 269 2HH2 ARG 34 2HH2 ARG 34 13.978 -1.042 -4.167 270 H ASP 35 H ASP 35 7.260 -6.934 -0.679 271 HA ASP 35 HA ASP 35 7.942 -8.616 1.604 272 1HB ASP 35 1HB ASP 35 8.048 -6.172 2.278 273 2HB ASP 35 2HB ASP 35 6.315 -6.101 1.984 274 HA PRO 36 HA PRO 36 4.263 -10.627 0.183 275 1HB PRO 36 1HB PRO 36 4.302 -11.917 2.835 276 2HB PRO 36 2HB PRO 36 4.399 -12.639 1.229 277 1HG PRO 36 1HG PRO 36 6.535 -12.519 2.837 278 2HG PRO 36 2HG PRO 36 6.679 -12.327 1.080 279 1HD PRO 36 1HD PRO 36 6.712 -10.237 3.219 280 2HD PRO 36 2HD PRO 36 7.691 -10.364 1.745 281 H ARG 37 H ARG 37 4.365 -8.471 2.829 282 HA ARG 37 HA ARG 37 1.870 -8.717 3.981 283 1HB ARG 37 1HB ARG 37 3.799 -6.548 3.614 284 2HB ARG 37 2HB ARG 37 2.146 -6.064 3.964 285 1HG ARG 37 1HG ARG 37 2.108 -7.393 5.937 286 2HG ARG 37 2HG ARG 37 3.696 -8.042 5.569 287 1HD ARG 37 1HD ARG 37 3.308 -5.108 5.824 288 2HD ARG 37 2HD ARG 37 3.465 -6.102 7.268 289 HE ARG 37 HE ARG 37 5.507 -6.454 5.231 290 1HH1 ARG 37 1HH1 ARG 37 4.580 -4.981 8.270 291 2HH1 ARG 37 2HH1 ARG 37 6.220 -4.631 8.740 292 1HH2 ARG 37 1HH2 ARG 37 7.644 -6.031 5.849 293 2HH2 ARG 37 2HH2 ARG 37 7.964 -5.210 7.351 294 H TYR 38 H TYR 38 2.674 -7.477 0.797 295 HA TYR 38 HA TYR 38 0.190 -6.162 0.353 296 1HB TYR 38 1HB TYR 38 2.239 -5.731 -0.998 297 2HB TYR 38 2HB TYR 38 2.096 -7.340 -1.693 298 HD1 TYR 38 HD1 TYR 38 0.512 -4.004 -1.514 299 HD2 TYR 38 HD2 TYR 38 0.582 -7.777 -3.472 300 HE1 TYR 38 HE1 TYR 38 -0.962 -3.114 -3.272 301 HE2 TYR 38 HE2 TYR 38 -0.890 -6.901 -5.230 302 HH TYR 38 HH TYR 38 -2.622 -5.061 -5.413 303 H TRP 39 H TRP 39 1.135 -9.433 0.462 304 HA TRP 39 HA TRP 39 -1.231 -10.303 -1.044 305 1HB TRP 39 1HB TRP 39 1.179 -11.933 -0.235 306 2HB TRP 39 2HB TRP 39 -0.116 -12.432 -1.321 307 HD1 TRP 39 HD1 TRP 39 3.287 -11.165 -1.456 308 HE1 TRP 39 HE1 TRP 39 3.814 -10.117 -3.753 309 HE3 TRP 39 HE3 TRP 39 -1.489 -10.740 -3.270 310 HZ2 TRP 39 HZ2 TRP 39 2.394 -9.229 -6.023 311 HZ3 TRP 39 HZ3 TRP 39 -1.807 -9.774 -5.516 312 HH2 TRP 39 HH2 TRP 39 0.097 -9.032 -6.857 313 H MET 40 H MET 40 0.256 -10.273 2.079 314 HA MET 40 HA MET 40 -1.196 -12.265 3.393 315 1HB MET 40 1HB MET 40 -0.189 -9.591 4.384 316 2HB MET 40 2HB MET 40 -0.896 -10.808 5.439 317 1HG MET 40 1HG MET 40 0.865 -12.339 4.983 318 2HG MET 40 2HG MET 40 1.505 -11.315 3.699 319 1HE MET 40 1HE MET 40 1.590 -10.099 8.155 320 2HE MET 40 2HE MET 40 0.932 -11.637 7.598 321 3HE MET 40 3HE MET 40 0.128 -10.126 7.168 322 H VAL 41 H VAL 41 -1.976 -8.877 2.782 323 HA VAL 41 HA VAL 41 -4.758 -9.287 3.493 324 HB VAL 41 HB VAL 41 -3.800 -7.091 3.942 325 1HG1 VAL 41 1HG1 VAL 41 -3.104 -5.589 2.137 326 2HG1 VAL 41 2HG1 VAL 41 -3.284 -6.914 0.987 327 3HG1 VAL 41 3HG1 VAL 41 -2.068 -7.012 2.262 328 1HG2 VAL 41 1HG2 VAL 41 -5.442 -5.678 2.816 329 2HG2 VAL 41 2HG2 VAL 41 -6.164 -7.181 3.394 330 3HG2 VAL 41 3HG2 VAL 41 -5.781 -6.985 1.681 331 H ASP 42 H ASP 42 -6.348 -9.835 2.042 332 HA ASP 42 HA ASP 42 -5.684 -10.840 -0.462 333 1HB ASP 42 1HB ASP 42 -8.210 -10.621 -0.825 334 2HB ASP 42 2HB ASP 42 -7.651 -11.686 0.432 335 H ASP 43 H ASP 43 -6.128 -10.085 -2.522 336 HA ASP 43 HA ASP 43 -5.427 -7.252 -2.544 337 1HB ASP 43 1HB ASP 43 -3.849 -8.870 -3.581 338 2HB ASP 43 2HB ASP 43 -5.079 -9.242 -4.787 339 H ASP 44 H ASP 44 -7.344 -6.254 -2.450 340 HA ASP 44 HA ASP 44 -8.820 -6.296 -4.987 341 1HB ASP 44 1HB ASP 44 -10.117 -6.294 -2.807 342 2HB ASP 44 2HB ASP 44 -9.457 -4.688 -2.494 343 HA PRO 45 HA PRO 45 -5.571 -3.256 -5.635 344 1HB PRO 45 1HB PRO 45 -6.672 -3.182 -8.363 345 2HB PRO 45 2HB PRO 45 -5.046 -3.563 -7.816 346 1HG PRO 45 1HG PRO 45 -6.661 -5.464 -8.754 347 2HG PRO 45 2HG PRO 45 -5.528 -5.768 -7.423 348 1HD PRO 45 1HD PRO 45 -8.469 -5.276 -7.326 349 2HD PRO 45 2HD PRO 45 -7.484 -6.430 -6.410 350 H LEU 46 H LEU 46 -8.983 -2.894 -6.359 351 HA LEU 46 HA LEU 46 -8.814 -0.087 -6.903 352 1HB LEU 46 1HB LEU 46 -10.653 -1.637 -7.662 353 2HB LEU 46 2HB LEU 46 -11.221 -1.650 -6.011 354 HG LEU 46 HG LEU 46 -12.418 -0.113 -7.661 355 1HD1 LEU 46 1HD1 LEU 46 -11.340 1.049 -5.103 356 2HD1 LEU 46 2HD1 LEU 46 -12.780 0.044 -5.273 357 3HD1 LEU 46 3HD1 LEU 46 -12.735 1.652 -5.999 358 1HD2 LEU 46 1HD2 LEU 46 -9.916 1.509 -7.225 359 2HD2 LEU 46 2HD2 LEU 46 -11.403 2.101 -7.967 360 3HD2 LEU 46 3HD2 LEU 46 -10.472 0.825 -8.753 361 H TRP 47 H TRP 47 -9.572 -2.073 -4.053 362 HA TRP 47 HA TRP 47 -9.837 0.192 -2.328 363 1HB TRP 47 1HB TRP 47 -10.849 -1.817 -1.548 364 2HB TRP 47 2HB TRP 47 -9.359 -2.732 -1.765 365 HD1 TRP 47 HD1 TRP 47 -10.649 0.189 0.441 366 HE1 TRP 47 HE1 TRP 47 -9.469 0.047 2.728 367 HE3 TRP 47 HE3 TRP 47 -7.574 -3.735 -0.529 368 HZ2 TRP 47 HZ2 TRP 47 -7.461 -1.545 3.949 369 HZ3 TRP 47 HZ3 TRP 47 -6.045 -4.521 1.236 370 HH2 TRP 47 HH2 TRP 47 -5.989 -3.446 3.427 371 H LYS 48 H LYS 48 -7.229 -1.956 -3.256 372 HA LYS 48 HA LYS 48 -5.236 -1.030 -1.528 373 1HB LYS 48 1HB LYS 48 -5.128 -2.143 -4.337 374 2HB LYS 48 2HB LYS 48 -3.687 -1.805 -3.389 375 1HG LYS 48 1HG LYS 48 -5.806 -3.558 -2.246 376 2HG LYS 48 2HG LYS 48 -4.680 -4.205 -3.444 377 1HD LYS 48 1HD LYS 48 -2.817 -3.499 -2.091 378 2HD LYS 48 2HD LYS 48 -3.907 -2.812 -0.887 379 1HE LYS 48 1HE LYS 48 -3.208 -4.919 -0.048 380 2HE LYS 48 2HE LYS 48 -4.865 -5.128 -0.602 381 1HZ LYS 48 1HZ LYS 48 -2.378 -6.032 -1.938 382 2HZ LYS 48 2HZ LYS 48 -3.874 -6.017 -2.728 383 3HZ LYS 48 3HZ LYS 48 -3.644 -6.989 -1.354 384 H LYS 49 H LYS 49 -6.512 0.253 -4.516 385 HA LYS 49 HA LYS 49 -4.455 2.271 -4.696 386 1HB LYS 49 1HB LYS 49 -4.952 2.118 -6.859 387 2HB LYS 49 2HB LYS 49 -6.232 0.976 -6.481 388 1HG LYS 49 1HG LYS 49 -7.820 2.774 -6.277 389 2HG LYS 49 2HG LYS 49 -6.549 3.964 -6.579 390 1HD LYS 49 1HD LYS 49 -7.533 1.837 -8.480 391 2HD LYS 49 2HD LYS 49 -7.765 3.581 -8.628 392 1HE LYS 49 1HE LYS 49 -5.085 2.188 -8.627 393 2HE LYS 49 2HE LYS 49 -5.954 2.698 -10.081 394 1HZ LYS 49 1HZ LYS 49 -4.280 4.323 -9.441 395 2HZ LYS 49 2HZ LYS 49 -4.998 4.500 -7.916 396 3HZ LYS 49 3HZ LYS 49 -5.836 4.988 -9.308 397 H GLU 50 H GLU 50 -7.818 1.991 -3.736 398 HA GLU 50 HA GLU 50 -8.353 4.743 -3.433 399 1HB GLU 50 1HB GLU 50 -9.579 2.243 -2.405 400 2HB GLU 50 2HB GLU 50 -10.076 3.786 -1.727 401 1HG GLU 50 1HG GLU 50 -10.126 3.091 -4.650 402 2HG GLU 50 2HG GLU 50 -11.505 3.039 -3.565 403 H MET 51 H MET 51 -7.047 2.295 -1.240 404 HA MET 51 HA MET 51 -6.892 4.102 0.972 405 1HB MET 51 1HB MET 51 -5.674 2.327 2.096 406 2HB MET 51 2HB MET 51 -7.047 1.638 1.238 407 1HG MET 51 1HG MET 51 -5.581 0.911 -0.554 408 2HG MET 51 2HG MET 51 -4.199 1.623 0.271 409 1HE MET 51 1HE MET 51 -5.406 0.807 3.322 410 2HE MET 51 2HE MET 51 -3.685 0.886 2.900 411 3HE MET 51 3HE MET 51 -4.355 -0.587 3.623 412 H PHE 52 H PHE 52 -4.858 3.204 -1.722 413 HA PHE 52 HA PHE 52 -2.499 4.512 -0.846 414 1HB PHE 52 1HB PHE 52 -2.427 2.912 -2.672 415 2HB PHE 52 2HB PHE 52 -3.512 3.909 -3.633 416 HD1 PHE 52 HD1 PHE 52 -0.377 4.577 -1.709 417 HD2 PHE 52 HD2 PHE 52 -2.435 4.823 -5.426 418 HE1 PHE 52 HE1 PHE 52 1.569 5.704 -2.709 419 HE2 PHE 52 HE2 PHE 52 -0.493 5.949 -6.431 420 HZ PHE 52 HZ PHE 52 1.510 6.394 -5.076 421 H GLU 53 H GLU 53 -5.373 5.591 -2.609 422 HA GLU 53 HA GLU 53 -4.514 8.218 -3.159 423 1HB GLU 53 1HB GLU 53 -7.280 7.114 -2.644 424 2HB GLU 53 2HB GLU 53 -6.957 8.729 -3.247 425 1HG GLU 53 1HG GLU 53 -5.989 6.291 -4.655 426 2HG GLU 53 2HG GLU 53 -7.589 6.962 -4.931 427 H LYS 54 H LYS 54 -5.884 6.670 -0.357 428 HA LYS 54 HA LYS 54 -6.313 9.039 1.164 429 1HB LYS 54 1HB LYS 54 -7.431 6.897 1.648 430 2HB LYS 54 2HB LYS 54 -5.881 6.203 2.109 431 1HG LYS 54 1HG LYS 54 -6.837 6.775 4.126 432 2HG LYS 54 2HG LYS 54 -5.792 8.171 3.784 433 1HD LYS 54 1HD LYS 54 -7.641 9.435 2.989 434 2HD LYS 54 2HD LYS 54 -8.700 8.033 3.004 435 1HE LYS 54 1HE LYS 54 -7.444 9.214 5.462 436 2HE LYS 54 2HE LYS 54 -9.068 9.608 4.899 437 1HZ LYS 54 1HZ LYS 54 -9.517 7.147 5.013 438 2HZ LYS 54 2HZ LYS 54 -9.320 7.928 6.501 439 3HZ LYS 54 3HZ LYS 54 -8.055 6.994 5.867 440 H TYR 55 H TYR 55 -3.702 6.736 0.793 441 HA TYR 55 HA TYR 55 -2.146 7.726 2.947 442 1HB TYR 55 1HB TYR 55 -1.855 5.469 2.066 443 2HB TYR 55 2HB TYR 55 -1.351 6.112 0.512 444 HD1 TYR 55 HD1 TYR 55 0.898 6.430 0.071 445 HD2 TYR 55 HD2 TYR 55 -0.373 6.118 4.118 446 HE1 TYR 55 HE1 TYR 55 3.244 6.423 0.800 447 HE2 TYR 55 HE2 TYR 55 1.973 6.109 4.858 448 HH TYR 55 HH TYR 55 4.598 6.777 2.657 449 H LEU 56 H LEU 56 -2.623 8.789 -0.287 450 HA LEU 56 HA LEU 56 -0.153 10.224 -0.423 451 1HB LEU 56 1HB LEU 56 -2.607 10.357 -2.165 452 2HB LEU 56 2HB LEU 56 -1.094 11.155 -2.509 453 HG LEU 56 HG LEU 56 -1.527 8.183 -2.355 454 1HD1 LEU 56 1HD1 LEU 56 -2.478 9.206 -4.357 455 2HD1 LEU 56 2HD1 LEU 56 -1.066 8.222 -4.748 456 3HD1 LEU 56 3HD1 LEU 56 -0.930 9.980 -4.699 457 1HD2 LEU 56 1HD2 LEU 56 0.790 8.008 -3.134 458 2HD2 LEU 56 2HD2 LEU 56 0.685 8.780 -1.547 459 3HD2 LEU 56 3HD2 LEU 56 0.962 9.761 -2.990 460 H SER 57 H SER 57 -3.469 11.015 0.416 461 HA SER 57 HA SER 57 -2.711 13.812 0.764 462 1HB SER 57 1HB SER 57 -5.174 14.119 1.111 463 2HB SER 57 2HB SER 57 -4.717 13.452 -0.456 464 HG SER 57 HG SER 57 -6.082 11.941 0.020 465 H ASN 58 H ASN 58 -4.094 11.114 2.577 466 HA ASN 58 HA ASN 58 -4.081 12.628 5.065 467 1HB ASN 58 1HB ASN 58 -5.951 11.051 4.362 468 2HB ASN 58 2HB ASN 58 -4.830 9.733 4.642 469 1HD2 ASN 58 1HD2 ASN 58 -4.261 9.169 6.720 470 2HD2 ASN 58 2HD2 ASN 58 -5.095 9.782 8.113 471 H ARG 59 H ARG 59 -2.654 9.703 3.680 472 HA ARG 59 HA ARG 59 -0.831 8.457 4.225 473 1HB ARG 59 1HB ARG 59 -0.088 10.866 5.903 474 2HB ARG 59 2HB ARG 59 0.929 9.443 5.742 475 1HG ARG 59 1HG ARG 59 1.029 9.854 3.298 476 2HG ARG 59 2HG ARG 59 0.125 11.347 3.554 477 1HD ARG 59 1HD ARG 59 1.879 12.277 4.863 478 2HD ARG 59 2HD ARG 59 2.729 10.736 4.934 479 HE ARG 59 HE ARG 59 2.345 11.860 2.277 480 1HH1 ARG 59 1HH1 ARG 59 4.451 11.514 5.057 481 2HH1 ARG 59 2HH1 ARG 59 5.898 11.856 4.157 482 1HH2 ARG 59 1HH2 ARG 59 4.256 12.333 1.093 483 2HH2 ARG 59 2HH2 ARG 59 5.792 12.325 1.907 Start of MODEL 9 1 1H GLY 1 1H GLY 1 -12.107 -7.835 4.895 2 2H GLY 1 2H GLY 1 -10.489 -7.932 5.386 3 3H GLY 1 3H GLY 1 -10.923 -6.938 4.088 4 1HA GLY 1 1HA GLY 1 -12.269 -5.565 5.606 5 2HA GLY 1 2HA GLY 1 -11.690 -6.567 6.931 6 H ALA 2 H ALA 2 -11.274 -3.853 6.981 7 HA ALA 2 HA ALA 2 -8.468 -3.530 6.148 8 1HB ALA 2 1HB ALA 2 -9.987 -1.926 5.140 9 2HB ALA 2 2HB ALA 2 -8.879 -1.116 6.250 10 3HB ALA 2 3HB ALA 2 -10.546 -1.428 6.738 11 H MET 3 H MET 3 -8.392 -4.960 8.298 12 HA MET 3 HA MET 3 -7.950 -3.066 10.497 13 1HB MET 3 1HB MET 3 -8.263 -6.069 10.535 14 2HB MET 3 2HB MET 3 -7.722 -5.143 11.926 15 1HG MET 3 1HG MET 3 -9.849 -3.869 11.832 16 2HG MET 3 2HG MET 3 -10.385 -4.945 10.544 17 1HE MET 3 1HE MET 3 -9.260 -4.719 14.305 18 2HE MET 3 2HE MET 3 -8.187 -5.950 13.639 19 3HE MET 3 3HE MET 3 -9.422 -6.399 14.818 20 H GLU 4 H GLU 4 -6.340 -6.132 10.462 21 HA GLU 4 HA GLU 4 -3.775 -5.029 10.716 22 1HB GLU 4 1HB GLU 4 -4.652 -7.781 9.935 23 2HB GLU 4 2HB GLU 4 -2.983 -7.359 10.254 24 1HG GLU 4 1HG GLU 4 -3.437 -6.913 12.499 25 2HG GLU 4 2HG GLU 4 -5.174 -6.917 12.236 26 H ALA 5 H ALA 5 -5.678 -6.047 8.011 27 HA ALA 5 HA ALA 5 -3.797 -6.173 5.973 28 1HB ALA 5 1HB ALA 5 -5.632 -5.692 4.456 29 2HB ALA 5 2HB ALA 5 -6.614 -5.111 5.800 30 3HB ALA 5 3HB ALA 5 -6.154 -6.812 5.713 31 H GLU 6 H GLU 6 -5.768 -3.375 6.962 32 HA GLU 6 HA GLU 6 -4.427 -1.561 5.208 33 1HB GLU 6 1HB GLU 6 -6.766 -1.296 6.051 34 2HB GLU 6 2HB GLU 6 -6.105 -0.967 7.640 35 1HG GLU 6 1HG GLU 6 -4.861 0.946 6.584 36 2HG GLU 6 2HG GLU 6 -5.861 0.680 5.165 37 H LYS 7 H LYS 7 -4.406 -2.121 8.680 38 HA LYS 7 HA LYS 7 -2.620 -0.374 9.709 39 1HB LYS 7 1HB LYS 7 -3.794 -2.126 10.966 40 2HB LYS 7 2HB LYS 7 -2.765 -3.318 10.228 41 1HG LYS 7 1HG LYS 7 -2.184 -2.861 12.548 42 2HG LYS 7 2HG LYS 7 -0.870 -2.545 11.414 43 1HD LYS 7 1HD LYS 7 -2.635 -0.275 12.066 44 2HD LYS 7 2HD LYS 7 -1.542 -0.843 13.338 45 1HE LYS 7 1HE LYS 7 -0.669 -0.299 10.531 46 2HE LYS 7 2HE LYS 7 -0.625 0.913 11.802 47 1HZ LYS 7 1HZ LYS 7 1.517 -0.200 11.543 48 2HZ LYS 7 2HZ LYS 7 0.791 -1.698 11.857 49 3HZ LYS 7 3HZ LYS 7 0.858 -0.518 13.074 50 H GLU 8 H GLU 8 -1.581 -3.567 8.475 51 HA GLU 8 HA GLU 8 1.154 -2.701 8.596 52 1HB GLU 8 1HB GLU 8 -0.125 -5.264 7.682 53 2HB GLU 8 2HB GLU 8 1.614 -4.989 7.652 54 1HG GLU 8 1HG GLU 8 -0.190 -4.995 10.051 55 2HG GLU 8 2HG GLU 8 1.082 -6.158 9.659 56 H PHE 9 H PHE 9 -1.278 -2.635 6.195 57 HA PHE 9 HA PHE 9 0.419 -2.623 3.899 58 1HB PHE 9 1HB PHE 9 -2.109 -2.936 3.980 59 2HB PHE 9 2HB PHE 9 -2.242 -1.198 4.206 60 HD1 PHE 9 HD1 PHE 9 -1.958 -3.875 1.891 61 HD2 PHE 9 HD2 PHE 9 -1.293 0.301 2.339 62 HE1 PHE 9 HE1 PHE 9 -1.998 -3.613 -0.549 63 HE2 PHE 9 HE2 PHE 9 -1.331 0.574 -0.109 64 HZ PHE 9 HZ PHE 9 -1.703 -1.390 -1.560 65 H ILE 10 H ILE 10 -0.829 -0.099 6.056 66 HA ILE 10 HA ILE 10 0.424 2.041 4.624 67 HB ILE 10 HB ILE 10 -0.532 1.981 7.492 68 1HG1 ILE 10 1HG1 ILE 10 -2.315 1.391 5.912 69 2HG1 ILE 10 2HG1 ILE 10 -2.593 2.965 6.634 70 1HG2 ILE 10 1HG2 ILE 10 -0.687 4.423 7.262 71 2HG2 ILE 10 2HG2 ILE 10 0.023 4.303 5.645 72 3HG2 ILE 10 3HG2 ILE 10 0.972 3.840 7.063 73 1HD1 ILE 10 1HD1 ILE 10 -1.781 4.048 4.604 74 2HD1 ILE 10 2HD1 ILE 10 -3.136 2.970 4.269 75 3HD1 ILE 10 3HD1 ILE 10 -1.490 2.465 3.881 76 H THR 11 H THR 11 1.241 0.014 7.349 77 HA THR 11 HA THR 11 3.606 1.348 8.123 78 HB THR 11 HB THR 11 2.993 -1.593 8.474 79 HG1 THR 11 HG1 THR 11 1.259 -0.271 9.233 80 1HG2 THR 11 1HG2 THR 11 4.667 0.329 10.097 81 2HG2 THR 11 2HG2 THR 11 5.277 -0.977 9.081 82 3HG2 THR 11 3HG2 THR 11 4.334 -1.348 10.524 83 H MET 12 H MET 12 2.898 -1.055 5.720 84 HA MET 12 HA MET 12 5.613 -1.729 5.131 85 1HB MET 12 1HB MET 12 4.225 -3.481 4.571 86 2HB MET 12 2HB MET 12 2.918 -2.424 4.063 87 1HG MET 12 1HG MET 12 4.052 -1.948 2.001 88 2HG MET 12 2HG MET 12 5.443 -2.914 2.499 89 1HE MET 12 1HE MET 12 1.270 -4.555 1.429 90 2HE MET 12 2HE MET 12 1.756 -2.866 1.294 91 3HE MET 12 3HE MET 12 1.557 -3.601 2.883 92 H LEU 13 H LEU 13 3.176 0.497 4.009 93 HA LEU 13 HA LEU 13 4.522 1.274 1.663 94 1HB LEU 13 1HB LEU 13 2.351 2.510 3.308 95 2HB LEU 13 2HB LEU 13 3.078 3.416 1.997 96 HG LEU 13 HG LEU 13 0.923 1.629 1.842 97 1HD1 LEU 13 1HD1 LEU 13 1.261 3.599 0.465 98 2HD1 LEU 13 2HD1 LEU 13 1.007 2.172 -0.543 99 3HD1 LEU 13 3HD1 LEU 13 2.633 2.821 -0.327 100 1HD2 LEU 13 1HD2 LEU 13 1.685 -0.023 0.191 101 2HD2 LEU 13 2HD2 LEU 13 2.445 -0.265 1.764 102 3HD2 LEU 13 3HD2 LEU 13 3.350 0.495 0.453 103 H LYS 14 H LYS 14 4.539 2.476 4.980 104 HA LYS 14 HA LYS 14 6.307 4.622 4.505 105 1HB LYS 14 1HB LYS 14 5.430 3.148 6.928 106 2HB LYS 14 2HB LYS 14 6.830 4.207 7.039 107 1HG LYS 14 1HG LYS 14 5.552 6.014 7.092 108 2HG LYS 14 2HG LYS 14 4.671 5.503 5.650 109 1HD LYS 14 1HD LYS 14 3.165 5.751 7.534 110 2HD LYS 14 2HD LYS 14 3.277 4.072 7.005 111 1HE LYS 14 1HE LYS 14 4.729 3.523 8.826 112 2HE LYS 14 2HE LYS 14 4.878 5.218 9.280 113 1HZ LYS 14 1HZ LYS 14 3.361 3.968 10.719 114 2HZ LYS 14 2HZ LYS 14 2.353 3.660 9.391 115 3HZ LYS 14 3HZ LYS 14 2.585 5.252 9.925 116 H GLU 15 H GLU 15 6.802 1.257 5.417 117 HA GLU 15 HA GLU 15 9.561 1.391 5.839 118 1HB GLU 15 1HB GLU 15 7.550 -0.732 5.406 119 2HB GLU 15 2HB GLU 15 9.239 -1.160 5.337 120 1HG GLU 15 1HG GLU 15 9.545 -0.299 7.568 121 2HG GLU 15 2HG GLU 15 7.860 0.189 7.631 122 H ASN 16 H ASN 16 7.710 1.356 2.960 123 HA ASN 16 HA ASN 16 10.070 0.619 1.376 124 1HB ASN 16 1HB ASN 16 7.129 0.571 0.786 125 2HB ASN 16 2HB ASN 16 8.297 0.631 -0.531 126 1HD2 ASN 16 1HD2 ASN 16 7.005 -1.274 2.071 127 2HD2 ASN 16 2HD2 ASN 16 7.736 -2.771 1.597 128 H GLN 17 H GLN 17 9.245 3.229 2.735 129 HA GLN 17 HA GLN 17 9.505 5.430 2.420 130 1HB GLN 17 1HB GLN 17 11.174 4.271 0.255 131 2HB GLN 17 2HB GLN 17 11.120 6.011 0.531 132 1HG GLN 17 1HG GLN 17 11.796 3.967 2.605 133 2HG GLN 17 2HG GLN 17 13.005 4.831 1.656 134 1HE2 GLN 17 1HE2 GLN 17 12.572 4.734 4.513 135 2HE2 GLN 17 2HE2 GLN 17 12.310 6.370 5.031 136 H VAL 18 H VAL 18 7.130 4.280 1.222 137 HA VAL 18 HA VAL 18 6.767 5.453 -1.368 138 HB VAL 18 HB VAL 18 4.680 4.346 0.517 139 1HG1 VAL 18 1HG1 VAL 18 3.296 4.127 -1.500 140 2HG1 VAL 18 2HG1 VAL 18 4.564 4.921 -2.446 141 3HG1 VAL 18 3HG1 VAL 18 3.718 5.813 -1.170 142 1HG2 VAL 18 1HG2 VAL 18 6.153 3.016 -1.753 143 2HG2 VAL 18 2HG2 VAL 18 4.804 2.315 -0.859 144 3HG2 VAL 18 3HG2 VAL 18 6.328 2.652 -0.036 145 H ASP 19 H ASP 19 6.472 7.524 -1.702 146 HA ASP 19 HA ASP 19 4.645 8.987 0.069 147 1HB ASP 19 1HB ASP 19 7.160 10.012 -1.205 148 2HB ASP 19 2HB ASP 19 5.918 11.073 -0.567 149 H SER 20 H SER 20 4.722 11.334 -1.646 150 HA SER 20 HA SER 20 2.711 10.590 -3.503 151 1HB SER 20 1HB SER 20 3.107 13.025 -4.288 152 2HB SER 20 2HB SER 20 2.531 12.766 -2.639 153 HG SER 20 HG SER 20 4.742 14.015 -3.436 154 H THR 21 H THR 21 6.032 10.306 -3.653 155 HA THR 21 HA THR 21 6.443 10.897 -6.435 156 HB THR 21 HB THR 21 8.656 9.708 -5.943 157 HG1 THR 21 HG1 THR 21 8.903 8.880 -3.995 158 1HG2 THR 21 1HG2 THR 21 7.913 12.113 -4.273 159 2HG2 THR 21 2HG2 THR 21 8.396 12.154 -5.971 160 3HG2 THR 21 3HG2 THR 21 9.545 11.632 -4.739 161 H TRP 22 H TRP 22 4.604 8.620 -5.252 162 HA TRP 22 HA TRP 22 5.660 6.438 -6.927 163 1HB TRP 22 1HB TRP 22 4.252 6.428 -4.298 164 2HB TRP 22 2HB TRP 22 4.156 5.032 -5.350 165 HD1 TRP 22 HD1 TRP 22 7.186 7.210 -4.170 166 HE1 TRP 22 HE1 TRP 22 9.004 5.574 -3.348 167 HE3 TRP 22 HE3 TRP 22 4.724 2.837 -4.911 168 HZ2 TRP 22 HZ2 TRP 22 9.295 2.740 -3.066 169 HZ3 TRP 22 HZ3 TRP 22 5.794 0.726 -4.334 170 HH2 TRP 22 HH2 TRP 22 8.027 0.694 -3.447 171 H SER 23 H SER 23 4.327 5.449 -8.343 172 HA SER 23 HA SER 23 1.467 6.137 -8.312 173 1HB SER 23 1HB SER 23 3.105 4.889 -10.519 174 2HB SER 23 2HB SER 23 1.408 5.340 -10.628 175 HG SER 23 HG SER 23 2.433 7.525 -9.912 176 H PHE 24 H PHE 24 0.053 4.131 -8.956 177 HA PHE 24 HA PHE 24 0.724 2.191 -6.902 178 1HB PHE 24 1HB PHE 24 -1.494 3.182 -7.134 179 2HB PHE 24 2HB PHE 24 -1.648 2.527 -8.748 180 HD1 PHE 24 HD1 PHE 24 -2.629 0.478 -9.093 181 HD2 PHE 24 HD2 PHE 24 -1.307 1.531 -5.197 182 HE1 PHE 24 HE1 PHE 24 -3.759 -1.503 -8.186 183 HE2 PHE 24 HE2 PHE 24 -2.430 -0.452 -4.279 184 HZ PHE 24 HZ PHE 24 -3.669 -1.961 -5.775 185 H SER 25 H SER 25 1.844 2.446 -9.775 186 HA SER 25 HA SER 25 1.667 -0.335 -10.599 187 1HB SER 25 1HB SER 25 3.355 1.909 -11.745 188 2HB SER 25 2HB SER 25 3.036 0.346 -12.497 189 HG SER 25 HG SER 25 1.692 2.028 -13.320 190 H ARG 26 H ARG 26 3.705 1.943 -9.012 191 HA ARG 26 HA ARG 26 6.079 0.390 -8.929 192 1HB ARG 26 1HB ARG 26 5.691 2.946 -8.568 193 2HB ARG 26 2HB ARG 26 5.348 2.479 -6.917 194 1HG ARG 26 1HG ARG 26 7.538 1.627 -6.639 195 2HG ARG 26 2HG ARG 26 7.886 1.836 -8.358 196 1HD ARG 26 1HD ARG 26 7.329 4.302 -7.975 197 2HD ARG 26 2HD ARG 26 7.458 3.929 -6.265 198 HE ARG 26 HE ARG 26 9.740 2.949 -7.500 199 1HH1 ARG 26 1HH1 ARG 26 8.239 6.068 -6.931 200 2HH1 ARG 26 2HH1 ARG 26 9.746 6.919 -6.829 201 1HH2 ARG 26 1HH2 ARG 26 11.731 4.079 -7.357 202 2HH2 ARG 26 2HH2 ARG 26 11.734 5.792 -7.062 203 H ILE 27 H ILE 27 3.289 0.840 -6.857 204 HA ILE 27 HA ILE 27 4.155 -0.721 -4.661 205 HB ILE 27 HB ILE 27 1.352 -0.184 -5.695 206 1HG1 ILE 27 1HG1 ILE 27 2.996 1.096 -3.502 207 2HG1 ILE 27 2HG1 ILE 27 2.540 1.834 -5.032 208 1HG2 ILE 27 1HG2 ILE 27 2.221 -1.337 -3.044 209 2HG2 ILE 27 2HG2 ILE 27 1.365 -2.196 -4.325 210 3HG2 ILE 27 3HG2 ILE 27 0.575 -0.871 -3.472 211 1HD1 ILE 27 1HD1 ILE 27 0.627 0.984 -2.877 212 2HD1 ILE 27 2HD1 ILE 27 0.215 1.799 -4.385 213 3HD1 ILE 27 3HD1 ILE 27 1.182 2.630 -3.169 214 H ILE 28 H ILE 28 2.024 -1.592 -7.465 215 HA ILE 28 HA ILE 28 1.922 -4.326 -6.755 216 HB ILE 28 HB ILE 28 1.642 -3.081 -9.502 217 1HG1 ILE 28 1HG1 ILE 28 -0.430 -3.847 -7.432 218 2HG1 ILE 28 2HG1 ILE 28 0.054 -2.205 -7.836 219 1HG2 ILE 28 1HG2 ILE 28 0.433 -5.111 -10.109 220 2HG2 ILE 28 2HG2 ILE 28 0.758 -5.790 -8.514 221 3HG2 ILE 28 3HG2 ILE 28 2.090 -5.483 -9.629 222 1HD1 ILE 28 1HD1 ILE 28 -0.840 -2.477 -10.076 223 2HD1 ILE 28 2HD1 ILE 28 -2.073 -2.818 -8.860 224 3HD1 ILE 28 3HD1 ILE 28 -1.279 -4.145 -9.711 225 H SER 29 H SER 29 4.254 -2.539 -8.750 226 HA SER 29 HA SER 29 5.462 -4.917 -9.789 227 1HB SER 29 1HB SER 29 5.391 -2.636 -10.920 228 2HB SER 29 2HB SER 29 6.676 -2.160 -9.821 229 HG SER 29 HG SER 29 7.446 -4.444 -10.839 230 H GLU 30 H GLU 30 6.286 -2.667 -7.154 231 HA GLU 30 HA GLU 30 8.687 -4.304 -6.682 232 1HB GLU 30 1HB GLU 30 8.200 -1.412 -6.025 233 2HB GLU 30 2HB GLU 30 9.609 -2.300 -5.498 234 1HG GLU 30 1HG GLU 30 10.175 -2.677 -7.807 235 2HG GLU 30 2HG GLU 30 8.774 -1.770 -8.319 236 H LEU 31 H LEU 31 5.843 -2.935 -5.125 237 HA LEU 31 HA LEU 31 6.778 -3.637 -2.487 238 1HB LEU 31 1HB LEU 31 4.376 -2.337 -3.610 239 2HB LEU 31 2HB LEU 31 4.149 -3.200 -2.101 240 HG LEU 31 HG LEU 31 5.557 -1.783 -0.933 241 1HD1 LEU 31 1HD1 LEU 31 7.167 -0.279 -1.928 242 2HD1 LEU 31 2HD1 LEU 31 6.673 -0.813 -3.535 243 3HD1 LEU 31 3HD1 LEU 31 7.452 -1.947 -2.430 244 1HD2 LEU 31 1HD2 LEU 31 3.492 -0.651 -1.620 245 2HD2 LEU 31 2HD2 LEU 31 4.352 0.018 -3.007 246 3HD2 LEU 31 3HD2 LEU 31 4.834 0.462 -1.371 247 H GLY 32 H GLY 32 4.763 -5.059 -4.943 248 1HA GLY 32 1HA GLY 32 3.661 -7.151 -3.413 249 2HA GLY 32 2HA GLY 32 3.918 -7.179 -5.153 250 H THR 33 H THR 33 6.884 -6.596 -4.507 251 HA THR 33 HA THR 33 7.589 -9.396 -3.961 252 HB THR 33 HB THR 33 9.696 -8.885 -5.202 253 HG1 THR 33 HG1 THR 33 9.462 -7.037 -6.682 254 1HG2 THR 33 1HG2 THR 33 7.110 -8.632 -6.735 255 2HG2 THR 33 2HG2 THR 33 7.864 -10.142 -6.211 256 3HG2 THR 33 3HG2 THR 33 8.669 -9.120 -7.408 257 H ARG 34 H ARG 34 8.195 -6.080 -3.042 258 HA ARG 34 HA ARG 34 10.578 -6.660 -1.582 259 1HB ARG 34 1HB ARG 34 8.806 -4.239 -1.740 260 2HB ARG 34 2HB ARG 34 10.069 -4.349 -0.522 261 1HG ARG 34 1HG ARG 34 11.651 -4.843 -2.427 262 2HG ARG 34 2HG ARG 34 10.367 -4.285 -3.496 263 1HD ARG 34 1HD ARG 34 11.049 -2.546 -1.209 264 2HD ARG 34 2HD ARG 34 12.268 -2.680 -2.469 265 HE ARG 34 HE ARG 34 9.515 -1.914 -3.175 266 1HH1 ARG 34 1HH1 ARG 34 12.918 -1.165 -2.954 267 2HH1 ARG 34 2HH1 ARG 34 12.790 0.280 -3.906 268 1HH2 ARG 34 1HH2 ARG 34 9.336 -0.001 -4.418 269 2HH2 ARG 34 2HH2 ARG 34 10.760 0.935 -4.756 270 H ASP 35 H ASP 35 7.160 -6.662 -0.763 271 HA ASP 35 HA ASP 35 7.876 -7.868 1.781 272 1HB ASP 35 1HB ASP 35 7.737 -5.326 2.074 273 2HB ASP 35 2HB ASP 35 6.004 -5.511 1.831 274 HA PRO 36 HA PRO 36 4.391 -10.288 0.541 275 1HB PRO 36 1HB PRO 36 4.561 -11.469 3.219 276 2HB PRO 36 2HB PRO 36 4.807 -12.220 1.640 277 1HG PRO 36 1HG PRO 36 6.847 -11.768 3.328 278 2HG PRO 36 2HG PRO 36 7.036 -11.647 1.567 279 1HD PRO 36 1HD PRO 36 6.690 -9.459 3.589 280 2HD PRO 36 2HD PRO 36 7.786 -9.542 2.193 281 H ARG 37 H ARG 37 4.327 -8.004 3.085 282 HA ARG 37 HA ARG 37 1.831 -8.515 4.235 283 1HB ARG 37 1HB ARG 37 3.535 -6.112 3.941 284 2HB ARG 37 2HB ARG 37 1.861 -5.897 4.438 285 1HG ARG 37 1HG ARG 37 2.162 -7.366 6.293 286 2HG ARG 37 2HG ARG 37 3.796 -7.743 5.765 287 1HD ARG 37 1HD ARG 37 2.931 -4.955 6.376 288 2HD ARG 37 2HD ARG 37 3.535 -6.038 7.625 289 HE ARG 37 HE ARG 37 5.295 -5.961 5.402 290 1HH1 ARG 37 1HH1 ARG 37 4.336 -4.068 8.213 291 2HH1 ARG 37 2HH1 ARG 37 5.875 -3.264 8.332 292 1HH2 ARG 37 1HH2 ARG 37 7.291 -4.947 5.602 293 2HH2 ARG 37 2HH2 ARG 37 7.564 -3.778 6.872 294 H TYR 38 H TYR 38 2.640 -7.314 1.083 295 HA TYR 38 HA TYR 38 0.148 -6.087 0.500 296 1HB TYR 38 1HB TYR 38 2.250 -5.743 -0.808 297 2HB TYR 38 2HB TYR 38 2.105 -7.390 -1.412 298 HD1 TYR 38 HD1 TYR 38 0.463 -4.070 -1.398 299 HD2 TYR 38 HD2 TYR 38 0.729 -7.880 -3.268 300 HE1 TYR 38 HE1 TYR 38 -0.941 -3.256 -3.243 301 HE2 TYR 38 HE2 TYR 38 -0.673 -7.077 -5.119 302 HH TYR 38 HH TYR 38 -2.429 -5.280 -5.443 303 H TRP 39 H TRP 39 1.155 -9.327 0.849 304 HA TRP 39 HA TRP 39 -1.121 -10.358 -0.687 305 1HB TRP 39 1HB TRP 39 1.256 -11.886 0.376 306 2HB TRP 39 2HB TRP 39 0.049 -12.462 -0.772 307 HD1 TRP 39 HD1 TRP 39 3.426 -11.099 -0.708 308 HE1 TRP 39 HE1 TRP 39 4.112 -10.187 -3.019 309 HE3 TRP 39 HE3 TRP 39 -1.175 -10.989 -2.940 310 HZ2 TRP 39 HZ2 TRP 39 2.867 -9.511 -5.454 311 HZ3 TRP 39 HZ3 TRP 39 -1.340 -10.187 -5.260 312 HH2 TRP 39 HH2 TRP 39 0.641 -9.463 -6.490 313 H MET 40 H MET 40 0.065 -9.930 2.503 314 HA MET 40 HA MET 40 -1.277 -11.952 3.889 315 1HB MET 40 1HB MET 40 -0.606 -9.122 4.691 316 2HB MET 40 2HB MET 40 -1.345 -10.272 5.796 317 1HG MET 40 1HG MET 40 1.313 -10.603 4.428 318 2HG MET 40 2HG MET 40 1.066 -10.134 6.108 319 1HE MET 40 1HE MET 40 -0.066 -11.750 7.931 320 2HE MET 40 2HE MET 40 -0.607 -13.389 7.568 321 3HE MET 40 3HE MET 40 -1.439 -12.005 6.855 322 H VAL 41 H VAL 41 -2.376 -8.821 2.745 323 HA VAL 41 HA VAL 41 -5.149 -9.558 3.318 324 HB VAL 41 HB VAL 41 -4.570 -7.244 3.824 325 1HG1 VAL 41 1HG1 VAL 41 -2.693 -6.945 2.319 326 2HG1 VAL 41 2HG1 VAL 41 -3.885 -5.668 2.085 327 3HG1 VAL 41 3HG1 VAL 41 -3.777 -6.996 0.930 328 1HG2 VAL 41 1HG2 VAL 41 -6.824 -7.725 2.982 329 2HG2 VAL 41 2HG2 VAL 41 -6.273 -7.375 1.340 330 3HG2 VAL 41 3HG2 VAL 41 -6.289 -6.100 2.560 331 H ASP 42 H ASP 42 -6.593 -10.085 1.665 332 HA ASP 42 HA ASP 42 -5.626 -11.026 -0.759 333 1HB ASP 42 1HB ASP 42 -7.992 -11.005 -1.446 334 2HB ASP 42 2HB ASP 42 -7.721 -11.802 0.068 335 H ASP 43 H ASP 43 -5.739 -10.209 -2.788 336 HA ASP 43 HA ASP 43 -5.114 -7.386 -2.744 337 1HB ASP 43 1HB ASP 43 -3.713 -9.065 -3.995 338 2HB ASP 43 2HB ASP 43 -5.028 -9.182 -5.164 339 H ASP 44 H ASP 44 -6.961 -6.298 -2.500 340 HA ASP 44 HA ASP 44 -8.885 -6.408 -4.707 341 1HB ASP 44 1HB ASP 44 -9.658 -6.335 -2.264 342 2HB ASP 44 2HB ASP 44 -9.028 -4.690 -2.211 343 HA PRO 45 HA PRO 45 -5.956 -3.329 -6.190 344 1HB PRO 45 1HB PRO 45 -7.680 -3.426 -8.571 345 2HB PRO 45 2HB PRO 45 -5.950 -3.685 -8.427 346 1HG PRO 45 1HG PRO 45 -7.590 -5.724 -8.880 347 2HG PRO 45 2HG PRO 45 -6.174 -5.888 -7.821 348 1HD PRO 45 1HD PRO 45 -9.047 -5.532 -7.092 349 2HD PRO 45 2HD PRO 45 -7.823 -6.595 -6.374 350 H LEU 46 H LEU 46 -9.479 -3.089 -6.342 351 HA LEU 46 HA LEU 46 -9.475 -0.295 -6.933 352 1HB LEU 46 1HB LEU 46 -11.349 -2.147 -7.153 353 2HB LEU 46 2HB LEU 46 -11.747 -1.609 -5.537 354 HG LEU 46 HG LEU 46 -13.103 -0.549 -7.343 355 1HD1 LEU 46 1HD1 LEU 46 -11.404 1.325 -5.706 356 2HD1 LEU 46 2HD1 LEU 46 -12.896 0.537 -5.186 357 3HD1 LEU 46 3HD1 LEU 46 -12.935 1.732 -6.483 358 1HD2 LEU 46 1HD2 LEU 46 -12.064 1.202 -8.701 359 2HD2 LEU 46 2HD2 LEU 46 -11.378 -0.386 -9.045 360 3HD2 LEU 46 3HD2 LEU 46 -10.483 0.764 -8.051 361 H TRP 47 H TRP 47 -9.726 -2.225 -3.956 362 HA TRP 47 HA TRP 47 -9.939 0.069 -2.256 363 1HB TRP 47 1HB TRP 47 -10.779 -2.040 -1.442 364 2HB TRP 47 2HB TRP 47 -9.195 -2.785 -1.627 365 HD1 TRP 47 HD1 TRP 47 -10.647 0.223 0.382 366 HE1 TRP 47 HE1 TRP 47 -9.520 0.237 2.704 367 HE3 TRP 47 HE3 TRP 47 -7.522 -3.729 -0.258 368 HZ2 TRP 47 HZ2 TRP 47 -7.553 -1.270 4.082 369 HZ3 TRP 47 HZ3 TRP 47 -6.047 -4.403 1.601 370 HH2 TRP 47 HH2 TRP 47 -6.064 -3.194 3.725 371 H LYS 48 H LYS 48 -7.255 -1.951 -3.376 372 HA LYS 48 HA LYS 48 -5.281 -0.736 -1.766 373 1HB LYS 48 1HB LYS 48 -5.287 -2.439 -4.157 374 2HB LYS 48 2HB LYS 48 -3.894 -1.387 -4.025 375 1HG LYS 48 1HG LYS 48 -3.411 -3.533 -3.067 376 2HG LYS 48 2HG LYS 48 -3.457 -2.315 -1.792 377 1HD LYS 48 1HD LYS 48 -5.610 -3.011 -1.095 378 2HD LYS 48 2HD LYS 48 -5.785 -4.077 -2.496 379 1HE LYS 48 1HE LYS 48 -3.839 -4.390 -0.216 380 2HE LYS 48 2HE LYS 48 -5.244 -5.402 -0.543 381 1HZ LYS 48 1HZ LYS 48 -4.122 -5.932 -2.742 382 2HZ LYS 48 2HZ LYS 48 -3.388 -6.578 -1.356 383 3HZ LYS 48 3HZ LYS 48 -2.730 -5.212 -2.103 384 H LYS 49 H LYS 49 -6.724 0.195 -4.848 385 HA LYS 49 HA LYS 49 -4.933 2.365 -5.290 386 1HB LYS 49 1HB LYS 49 -7.619 1.612 -6.413 387 2HB LYS 49 2HB LYS 49 -6.883 3.156 -6.801 388 1HG LYS 49 1HG LYS 49 -4.958 1.991 -7.743 389 2HG LYS 49 2HG LYS 49 -5.710 0.444 -7.343 390 1HD LYS 49 1HD LYS 49 -7.718 1.673 -8.696 391 2HD LYS 49 2HD LYS 49 -6.302 2.327 -9.520 392 1HE LYS 49 1HE LYS 49 -6.833 -0.590 -9.040 393 2HE LYS 49 2HE LYS 49 -7.161 0.254 -10.555 394 1HZ LYS 49 1HZ LYS 49 -4.771 0.805 -10.666 395 2HZ LYS 49 2HZ LYS 49 -5.064 -0.867 -10.717 396 3HZ LYS 49 3HZ LYS 49 -4.508 -0.147 -9.289 397 H GLU 50 H GLU 50 -8.111 1.973 -3.812 398 HA GLU 50 HA GLU 50 -8.677 4.683 -3.343 399 1HB GLU 50 1HB GLU 50 -9.598 2.144 -2.048 400 2HB GLU 50 2HB GLU 50 -10.151 3.701 -1.471 401 1HG GLU 50 1HG GLU 50 -11.001 4.174 -3.762 402 2HG GLU 50 2HG GLU 50 -10.568 2.521 -4.205 403 H MET 51 H MET 51 -7.050 2.249 -1.356 404 HA MET 51 HA MET 51 -6.799 4.041 0.860 405 1HB MET 51 1HB MET 51 -5.528 2.265 1.933 406 2HB MET 51 2HB MET 51 -7.000 1.626 1.218 407 1HG MET 51 1HG MET 51 -5.743 0.728 -0.644 408 2HG MET 51 2HG MET 51 -4.258 1.415 -0.003 409 1HE MET 51 1HE MET 51 -3.592 0.843 2.673 410 2HE MET 51 2HE MET 51 -4.267 -0.560 3.522 411 3HE MET 51 3HE MET 51 -5.288 0.851 3.189 412 H PHE 52 H PHE 52 -4.973 3.315 -1.973 413 HA PHE 52 HA PHE 52 -2.501 4.408 -1.018 414 1HB PHE 52 1HB PHE 52 -2.557 2.812 -2.889 415 2HB PHE 52 2HB PHE 52 -3.467 3.968 -3.853 416 HD1 PHE 52 HD1 PHE 52 -2.130 4.662 -5.593 417 HD2 PHE 52 HD2 PHE 52 -0.454 4.377 -1.689 418 HE1 PHE 52 HE1 PHE 52 -0.028 5.634 -6.426 419 HE2 PHE 52 HE2 PHE 52 1.650 5.350 -2.519 420 HZ PHE 52 HZ PHE 52 1.862 5.980 -4.890 421 H GLU 53 H GLU 53 -5.277 5.621 -2.848 422 HA GLU 53 HA GLU 53 -4.229 8.231 -3.246 423 1HB GLU 53 1HB GLU 53 -7.098 7.298 -3.109 424 2HB GLU 53 2HB GLU 53 -6.601 8.899 -3.607 425 1HG GLU 53 1HG GLU 53 -5.261 7.758 -5.395 426 2HG GLU 53 2HG GLU 53 -6.141 6.297 -4.977 427 H LYS 54 H LYS 54 -5.906 6.646 -0.627 428 HA LYS 54 HA LYS 54 -6.306 8.985 0.926 429 1HB LYS 54 1HB LYS 54 -7.664 7.272 1.573 430 2HB LYS 54 2HB LYS 54 -6.380 6.103 1.515 431 1HG LYS 54 1HG LYS 54 -5.515 6.713 3.544 432 2HG LYS 54 2HG LYS 54 -6.295 8.304 3.498 433 1HD LYS 54 1HD LYS 54 -8.454 6.919 3.383 434 2HD LYS 54 2HD LYS 54 -7.468 5.621 4.062 435 1HE LYS 54 1HE LYS 54 -6.851 7.031 5.932 436 2HE LYS 54 2HE LYS 54 -7.764 8.366 5.235 437 1HZ LYS 54 1HZ LYS 54 -9.792 7.147 5.546 438 2HZ LYS 54 2HZ LYS 54 -8.955 7.194 7.020 439 3HZ LYS 54 3HZ LYS 54 -8.945 5.781 6.088 440 H TYR 55 H TYR 55 -3.746 6.612 0.650 441 HA TYR 55 HA TYR 55 -2.235 7.517 2.861 442 1HB TYR 55 1HB TYR 55 -1.924 5.311 1.833 443 2HB TYR 55 2HB TYR 55 -1.348 6.066 0.356 444 HD1 TYR 55 HD1 TYR 55 -0.550 5.947 4.010 445 HD2 TYR 55 HD2 TYR 55 0.917 6.259 0.029 446 HE1 TYR 55 HE1 TYR 55 1.756 5.866 4.860 447 HE2 TYR 55 HE2 TYR 55 3.224 6.182 0.866 448 HH TYR 55 HH TYR 55 4.500 6.460 2.776 449 H LEU 56 H LEU 56 -2.591 8.702 -0.379 450 HA LEU 56 HA LEU 56 -0.254 10.407 -0.082 451 1HB LEU 56 1HB LEU 56 -2.115 10.014 -2.417 452 2HB LEU 56 2HB LEU 56 -0.673 10.986 -2.428 453 HG LEU 56 HG LEU 56 -0.822 8.000 -2.134 454 1HD1 LEU 56 1HD1 LEU 56 0.405 7.999 -4.246 455 2HD1 LEU 56 2HD1 LEU 56 0.324 9.759 -4.294 456 3HD1 LEU 56 3HD1 LEU 56 -1.155 8.804 -4.402 457 1HD2 LEU 56 1HD2 LEU 56 0.950 8.867 -0.710 458 2HD2 LEU 56 2HD2 LEU 56 1.596 9.803 -2.063 459 3HD2 LEU 56 3HD2 LEU 56 1.626 8.037 -2.116 460 H SER 57 H SER 57 -3.754 10.619 -0.218 461 HA SER 57 HA SER 57 -3.676 13.517 -0.352 462 1HB SER 57 1HB SER 57 -5.341 12.341 -1.650 463 2HB SER 57 2HB SER 57 -5.995 11.590 -0.199 464 HG SER 57 HG SER 57 -7.290 13.308 -0.589 465 H ASN 58 H ASN 58 -3.955 11.040 2.017 466 HA ASN 58 HA ASN 58 -4.533 13.065 4.085 467 1HB ASN 58 1HB ASN 58 -5.792 10.427 3.592 468 2HB ASN 58 2HB ASN 58 -5.430 10.807 5.269 469 1HD2 ASN 58 1HD2 ASN 58 -6.191 13.316 2.977 470 2HD2 ASN 58 2HD2 ASN 58 -7.759 13.688 3.609 471 H ARG 59 H ARG 59 -3.277 9.793 3.563 472 HA ARG 59 HA ARG 59 -1.488 8.669 4.373 473 1HB ARG 59 1HB ARG 59 -0.276 10.725 3.590 474 2HB ARG 59 2HB ARG 59 -0.402 11.356 5.225 475 1HG ARG 59 1HG ARG 59 0.944 9.549 6.078 476 2HG ARG 59 2HG ARG 59 0.978 8.784 4.487 477 1HD ARG 59 1HD ARG 59 2.118 11.494 5.155 478 2HD ARG 59 2HD ARG 59 3.052 10.009 4.974 479 HE ARG 59 HE ARG 59 1.877 10.103 2.612 480 1HH1 ARG 59 1HH1 ARG 59 3.359 12.673 4.444 481 2HH1 ARG 59 2HH1 ARG 59 3.828 13.586 3.047 482 1HH2 ARG 59 1HH2 ARG 59 2.466 11.299 0.756 483 2HH2 ARG 59 2HH2 ARG 59 3.308 12.808 0.931 Start of MODEL 10 1 1H GLY 1 1H GLY 1 -15.041 -5.193 9.508 2 2H GLY 1 2H GLY 1 -14.823 -4.484 7.984 3 3H GLY 1 3H GLY 1 -14.112 -3.784 9.358 4 1HA GLY 1 1HA GLY 1 -12.717 -5.746 9.651 5 2HA GLY 1 2HA GLY 1 -13.429 -6.430 8.197 6 H ALA 2 H ALA 2 -11.036 -6.471 7.716 7 HA ALA 2 HA ALA 2 -9.283 -5.781 6.462 8 1HB ALA 2 1HB ALA 2 -10.959 -5.297 4.764 9 2HB ALA 2 2HB ALA 2 -9.674 -4.091 4.722 10 3HB ALA 2 3HB ALA 2 -11.228 -3.698 5.459 11 H MET 3 H MET 3 -9.501 -4.859 9.117 12 HA MET 3 HA MET 3 -8.622 -2.083 9.085 13 1HB MET 3 1HB MET 3 -10.289 -2.517 10.721 14 2HB MET 3 2HB MET 3 -9.493 -3.994 11.246 15 1HG MET 3 1HG MET 3 -9.187 -2.312 12.906 16 2HG MET 3 2HG MET 3 -7.645 -2.643 12.116 17 1HE MET 3 1HE MET 3 -8.262 -0.063 13.945 18 2HE MET 3 2HE MET 3 -7.428 1.175 13.006 19 3HE MET 3 3HE MET 3 -6.693 -0.416 13.216 20 H GLU 4 H GLU 4 -7.612 -5.289 10.169 21 HA GLU 4 HA GLU 4 -5.072 -4.584 11.148 22 1HB GLU 4 1HB GLU 4 -5.881 -7.218 9.979 23 2HB GLU 4 2HB GLU 4 -4.620 -6.936 11.159 24 1HG GLU 4 1HG GLU 4 -6.056 -6.864 12.863 25 2HG GLU 4 2HG GLU 4 -7.298 -6.040 11.926 26 H ALA 5 H ALA 5 -6.194 -5.910 8.098 27 HA ALA 5 HA ALA 5 -3.754 -6.114 6.766 28 1HB ALA 5 1HB ALA 5 -5.108 -6.173 4.723 29 2HB ALA 5 2HB ALA 5 -6.504 -5.602 5.637 30 3HB ALA 5 3HB ALA 5 -5.798 -7.178 5.996 31 H GLU 6 H GLU 6 -6.051 -3.419 6.939 32 HA GLU 6 HA GLU 6 -4.753 -1.736 5.087 33 1HB GLU 6 1HB GLU 6 -7.083 -1.428 5.936 34 2HB GLU 6 2HB GLU 6 -6.403 -0.916 7.471 35 1HG GLU 6 1HG GLU 6 -5.240 0.913 6.275 36 2HG GLU 6 2HG GLU 6 -6.114 0.450 4.820 37 H LYS 7 H LYS 7 -4.638 -1.882 8.613 38 HA LYS 7 HA LYS 7 -2.939 0.178 9.205 39 1HB LYS 7 1HB LYS 7 -4.122 -1.298 10.811 40 2HB LYS 7 2HB LYS 7 -2.849 -2.475 10.529 41 1HG LYS 7 1HG LYS 7 -1.256 -0.563 11.162 42 2HG LYS 7 2HG LYS 7 -2.689 0.160 11.902 43 1HD LYS 7 1HD LYS 7 -1.254 -1.272 13.414 44 2HD LYS 7 2HD LYS 7 -2.972 -1.698 13.348 45 1HE LYS 7 1HE LYS 7 -2.596 -3.544 12.016 46 2HE LYS 7 2HE LYS 7 -1.030 -2.953 11.468 47 1HZ LYS 7 1HZ LYS 7 -0.096 -3.457 13.614 48 2HZ LYS 7 2HZ LYS 7 -0.905 -4.839 13.055 49 3HZ LYS 7 3HZ LYS 7 -1.618 -3.865 14.244 50 H GLU 8 H GLU 8 -1.938 -3.159 8.480 51 HA GLU 8 HA GLU 8 0.828 -2.488 8.625 52 1HB GLU 8 1HB GLU 8 -0.571 -4.914 7.505 53 2HB GLU 8 2HB GLU 8 1.180 -4.749 7.582 54 1HG GLU 8 1HG GLU 8 0.899 -4.372 10.065 55 2HG GLU 8 2HG GLU 8 -0.771 -4.895 9.856 56 H PHE 9 H PHE 9 -1.521 -2.654 6.048 57 HA PHE 9 HA PHE 9 0.236 -2.483 3.849 58 1HB PHE 9 1HB PHE 9 -2.247 -2.976 3.786 59 2HB PHE 9 2HB PHE 9 -2.542 -1.261 4.057 60 HD1 PHE 9 HD1 PHE 9 -1.852 0.382 2.296 61 HD2 PHE 9 HD2 PHE 9 -1.660 -3.819 1.682 62 HE1 PHE 9 HE1 PHE 9 -1.776 0.746 -0.137 63 HE2 PHE 9 HE2 PHE 9 -1.582 -3.467 -0.747 64 HZ PHE 9 HZ PHE 9 -1.659 -1.188 -1.663 65 H ILE 10 H ILE 10 -1.180 0.004 5.943 66 HA ILE 10 HA ILE 10 -0.108 2.210 4.488 67 HB ILE 10 HB ILE 10 -0.942 2.077 7.390 68 1HG1 ILE 10 1HG1 ILE 10 -2.736 1.407 5.836 69 2HG1 ILE 10 2HG1 ILE 10 -3.084 2.932 6.630 70 1HG2 ILE 10 1HG2 ILE 10 -1.213 4.497 7.226 71 2HG2 ILE 10 2HG2 ILE 10 -0.628 4.457 5.556 72 3HG2 ILE 10 3HG2 ILE 10 0.456 4.019 6.883 73 1HD1 ILE 10 1HD1 ILE 10 -3.703 2.977 4.275 74 2HD1 ILE 10 2HD1 ILE 10 -2.033 2.624 3.830 75 3HD1 ILE 10 3HD1 ILE 10 -2.432 4.146 4.628 76 H THR 11 H THR 11 0.975 0.213 7.138 77 HA THR 11 HA THR 11 3.202 1.779 7.892 78 HB THR 11 HB THR 11 2.796 -1.188 8.300 79 HG1 THR 11 HG1 THR 11 1.090 -0.057 9.248 80 1HG2 THR 11 1HG2 THR 11 4.541 0.795 9.768 81 2HG2 THR 11 2HG2 THR 11 5.103 -0.488 8.696 82 3HG2 THR 11 3HG2 THR 11 4.306 -0.892 10.218 83 H MET 12 H MET 12 2.855 -0.914 5.653 84 HA MET 12 HA MET 12 5.628 -1.195 5.099 85 1HB MET 12 1HB MET 12 4.834 -2.567 3.167 86 2HB MET 12 2HB MET 12 4.150 -3.068 4.700 87 1HG MET 12 1HG MET 12 2.129 -1.720 4.140 88 2HG MET 12 2HG MET 12 2.821 -1.497 2.543 89 1HE MET 12 1HE MET 12 2.876 -3.229 0.695 90 2HE MET 12 2HE MET 12 2.689 -4.962 0.947 91 3HE MET 12 3HE MET 12 4.061 -4.113 1.658 92 H LEU 13 H LEU 13 3.003 0.726 3.906 93 HA LEU 13 HA LEU 13 4.268 1.588 1.550 94 1HB LEU 13 1HB LEU 13 1.896 2.375 3.113 95 2HB LEU 13 2HB LEU 13 2.598 3.649 2.134 96 HG LEU 13 HG LEU 13 0.691 2.278 1.112 97 1HD1 LEU 13 1HD1 LEU 13 2.124 3.797 -0.163 98 2HD1 LEU 13 2HD1 LEU 13 1.666 2.376 -1.102 99 3HD1 LEU 13 3HD1 LEU 13 3.282 2.487 -0.405 100 1HD2 LEU 13 1HD2 LEU 13 1.448 0.062 1.729 101 2HD2 LEU 13 2HD2 LEU 13 2.935 0.288 0.809 102 3HD2 LEU 13 3HD2 LEU 13 1.385 0.212 -0.029 103 H LYS 14 H LYS 14 4.205 2.779 4.853 104 HA LYS 14 HA LYS 14 5.770 5.092 4.404 105 1HB LYS 14 1HB LYS 14 4.810 3.612 6.747 106 2HB LYS 14 2HB LYS 14 6.279 4.558 6.990 107 1HG LYS 14 1HG LYS 14 5.177 6.511 6.814 108 2HG LYS 14 2HG LYS 14 4.095 5.892 5.564 109 1HD LYS 14 1HD LYS 14 3.202 4.430 7.458 110 2HD LYS 14 2HD LYS 14 3.869 5.675 8.518 111 1HE LYS 14 1HE LYS 14 2.585 7.348 7.166 112 2HE LYS 14 2HE LYS 14 1.848 5.985 6.322 113 1HZ LYS 14 1HZ LYS 14 1.121 5.226 8.629 114 2HZ LYS 14 2HZ LYS 14 0.315 6.561 7.953 115 3HZ LYS 14 3HZ LYS 14 1.497 6.799 9.144 116 H GLU 15 H GLU 15 6.524 1.766 5.251 117 HA GLU 15 HA GLU 15 9.257 2.129 5.739 118 1HB GLU 15 1HB GLU 15 7.448 -0.152 5.212 119 2HB GLU 15 2HB GLU 15 9.172 -0.424 5.190 120 1HG GLU 15 1HG GLU 15 9.309 0.459 7.449 121 2HG GLU 15 2HG GLU 15 7.570 0.710 7.456 122 H ASN 16 H ASN 16 7.411 1.713 2.830 123 HA ASN 16 HA ASN 16 9.778 1.120 1.243 124 1HB ASN 16 1HB ASN 16 6.857 1.347 0.513 125 2HB ASN 16 2HB ASN 16 8.131 1.030 -0.662 126 1HD2 ASN 16 1HD2 ASN 16 5.876 -0.645 0.106 127 2HD2 ASN 16 2HD2 ASN 16 6.547 -2.127 0.685 128 H GLN 17 H GLN 17 8.828 3.796 2.584 129 HA GLN 17 HA GLN 17 9.146 5.999 2.263 130 1HB GLN 17 1HB GLN 17 11.011 4.755 0.313 131 2HB GLN 17 2HB GLN 17 10.906 6.510 0.440 132 1HG GLN 17 1HG GLN 17 11.381 4.732 2.795 133 2HG GLN 17 2HG GLN 17 12.704 5.340 1.799 134 1HE2 GLN 17 1HE2 GLN 17 13.604 6.502 3.439 135 2HE2 GLN 17 2HE2 GLN 17 12.883 7.933 4.101 136 H VAL 18 H VAL 18 6.900 4.812 0.893 137 HA VAL 18 HA VAL 18 6.777 5.806 -1.782 138 HB VAL 18 HB VAL 18 4.563 4.815 0.019 139 1HG1 VAL 18 1HG1 VAL 18 3.305 4.461 -2.056 140 2HG1 VAL 18 2HG1 VAL 18 4.614 5.225 -2.972 141 3HG1 VAL 18 3HG1 VAL 18 3.685 6.172 -1.799 142 1HG2 VAL 18 1HG2 VAL 18 4.800 2.710 -1.226 143 2HG2 VAL 18 2HG2 VAL 18 6.269 3.125 -0.341 144 3HG2 VAL 18 3HG2 VAL 18 6.184 3.387 -2.084 145 H ASP 19 H ASP 19 6.254 7.782 -2.450 146 HA ASP 19 HA ASP 19 4.528 9.423 -0.727 147 1HB ASP 19 1HB ASP 19 6.577 10.418 -2.688 148 2HB ASP 19 2HB ASP 19 5.465 11.428 -1.778 149 H SER 20 H SER 20 3.973 11.384 -2.720 150 HA SER 20 HA SER 20 1.899 9.966 -4.106 151 1HB SER 20 1HB SER 20 1.415 12.308 -5.012 152 2HB SER 20 2HB SER 20 1.296 12.086 -3.267 153 HG SER 20 HG SER 20 2.597 13.750 -3.254 154 H THR 21 H THR 21 5.110 10.470 -4.823 155 HA THR 21 HA THR 21 4.840 10.949 -7.652 156 HB THR 21 HB THR 21 7.324 10.514 -7.667 157 HG1 THR 21 HG1 THR 21 7.978 9.469 -5.931 158 1HG2 THR 21 1HG2 THR 21 6.403 12.774 -7.509 159 2HG2 THR 21 2HG2 THR 21 7.871 12.625 -6.546 160 3HG2 THR 21 3HG2 THR 21 6.295 12.615 -5.756 161 H TRP 22 H TRP 22 4.657 8.262 -5.643 162 HA TRP 22 HA TRP 22 5.759 6.268 -7.376 163 1HB TRP 22 1HB TRP 22 4.198 6.326 -4.851 164 2HB TRP 22 2HB TRP 22 4.147 4.849 -5.799 165 HD1 TRP 22 HD1 TRP 22 7.038 7.177 -4.561 166 HE1 TRP 22 HE1 TRP 22 8.886 5.630 -3.608 167 HE3 TRP 22 HE3 TRP 22 4.879 2.669 -5.484 168 HZ2 TRP 22 HZ2 TRP 22 9.293 2.810 -3.299 169 HZ3 TRP 22 HZ3 TRP 22 6.000 0.631 -4.824 170 HH2 TRP 22 HH2 TRP 22 8.158 0.696 -3.773 171 H SER 23 H SER 23 4.819 5.198 -9.002 172 HA SER 23 HA SER 23 1.984 5.541 -9.563 173 1HB SER 23 1HB SER 23 3.356 5.602 -11.509 174 2HB SER 23 2HB SER 23 4.249 4.177 -10.997 175 HG SER 23 HG SER 23 2.303 4.152 -12.647 176 H PHE 24 H PHE 24 0.580 3.606 -9.840 177 HA PHE 24 HA PHE 24 1.031 1.800 -7.600 178 1HB PHE 24 1HB PHE 24 -1.154 2.916 -8.275 179 2HB PHE 24 2HB PHE 24 -1.208 1.816 -9.634 180 HD1 PHE 24 HD1 PHE 24 -1.353 2.044 -5.960 181 HD2 PHE 24 HD2 PHE 24 -1.963 -0.412 -9.384 182 HE1 PHE 24 HE1 PHE 24 -2.581 0.424 -4.578 183 HE2 PHE 24 HE2 PHE 24 -3.186 -2.037 -8.006 184 HZ PHE 24 HZ PHE 24 -3.508 -1.612 -5.605 185 H SER 25 H SER 25 2.372 1.876 -10.402 186 HA SER 25 HA SER 25 2.187 -0.952 -11.079 187 1HB SER 25 1HB SER 25 2.390 0.786 -12.873 188 2HB SER 25 2HB SER 25 3.975 1.212 -12.236 189 HG SER 25 HG SER 25 4.714 -0.848 -12.761 190 H ARG 26 H ARG 26 4.365 1.448 -9.797 191 HA ARG 26 HA ARG 26 6.563 -0.207 -9.201 192 1HB ARG 26 1HB ARG 26 6.362 2.356 -9.275 193 2HB ARG 26 2HB ARG 26 5.780 2.209 -7.625 194 1HG ARG 26 1HG ARG 26 7.833 1.075 -6.997 195 2HG ARG 26 2HG ARG 26 8.430 1.305 -8.640 196 1HD ARG 26 1HD ARG 26 8.245 3.697 -8.412 197 2HD ARG 26 2HD ARG 26 7.519 3.478 -6.828 198 HE ARG 26 HE ARG 26 9.903 2.235 -6.608 199 1HH1 ARG 26 1HH1 ARG 26 8.913 5.452 -7.538 200 2HH1 ARG 26 2HH1 ARG 26 10.364 6.208 -6.977 201 1HH2 ARG 26 1HH2 ARG 26 11.824 3.215 -5.856 202 2HH2 ARG 26 2HH2 ARG 26 12.030 4.932 -6.019 203 H ILE 27 H ILE 27 3.634 0.662 -7.496 204 HA ILE 27 HA ILE 27 4.189 -0.587 -5.029 205 HB ILE 27 HB ILE 27 1.577 -0.045 -6.469 206 1HG1 ILE 27 1HG1 ILE 27 2.955 1.280 -4.126 207 2HG1 ILE 27 2HG1 ILE 27 2.852 1.917 -5.763 208 1HG2 ILE 27 1HG2 ILE 27 0.433 -0.499 -4.345 209 2HG2 ILE 27 2HG2 ILE 27 1.957 -1.049 -3.649 210 3HG2 ILE 27 3HG2 ILE 27 1.224 -1.939 -4.982 211 1HD1 ILE 27 1HD1 ILE 27 1.279 3.019 -4.292 212 2HD1 ILE 27 2HD1 ILE 27 0.541 1.468 -3.892 213 3HD1 ILE 27 3HD1 ILE 27 0.429 2.099 -5.536 214 H ILE 28 H ILE 28 2.270 -1.857 -7.842 215 HA ILE 28 HA ILE 28 2.016 -4.470 -6.813 216 HB ILE 28 HB ILE 28 2.190 -3.649 -9.719 217 1HG1 ILE 28 1HG1 ILE 28 0.438 -2.435 -8.475 218 2HG1 ILE 28 2HG1 ILE 28 -0.223 -3.514 -9.698 219 1HG2 ILE 28 1HG2 ILE 28 0.911 -5.681 -10.171 220 2HG2 ILE 28 2HG2 ILE 28 1.020 -6.114 -8.464 221 3HG2 ILE 28 3HG2 ILE 28 2.482 -6.031 -9.448 222 1HD1 ILE 28 1HD1 ILE 28 -0.052 -4.087 -6.762 223 2HD1 ILE 28 2HD1 ILE 28 -0.744 -5.143 -7.990 224 3HD1 ILE 28 3HD1 ILE 28 -1.498 -3.586 -7.638 225 H SER 29 H SER 29 4.654 -2.999 -8.659 226 HA SER 29 HA SER 29 5.835 -5.558 -9.244 227 1HB SER 29 1HB SER 29 5.879 -3.495 -10.738 228 2HB SER 29 2HB SER 29 7.123 -2.871 -9.662 229 HG SER 29 HG SER 29 8.503 -4.067 -10.661 230 H GLU 30 H GLU 30 6.527 -2.884 -6.998 231 HA GLU 30 HA GLU 30 8.910 -4.341 -6.103 232 1HB GLU 30 1HB GLU 30 8.001 -1.513 -5.546 233 2HB GLU 30 2HB GLU 30 9.441 -2.244 -4.851 234 1HG GLU 30 1HG GLU 30 8.949 -1.858 -7.790 235 2HG GLU 30 2HG GLU 30 9.920 -0.796 -6.778 236 H LEU 31 H LEU 31 5.790 -3.185 -4.943 237 HA LEU 31 HA LEU 31 6.432 -3.909 -2.208 238 1HB LEU 31 1HB LEU 31 3.928 -2.882 -3.539 239 2HB LEU 31 2HB LEU 31 3.929 -3.422 -1.874 240 HG LEU 31 HG LEU 31 5.383 -1.651 -1.223 241 1HD1 LEU 31 1HD1 LEU 31 5.751 -1.128 -4.122 242 2HD1 LEU 31 2HD1 LEU 31 6.970 -1.592 -2.936 243 3HD1 LEU 31 3HD1 LEU 31 6.219 0.002 -2.851 244 1HD2 LEU 31 1HD2 LEU 31 3.386 -0.525 -3.145 245 2HD2 LEU 31 2HD2 LEU 31 4.113 0.316 -1.777 246 3HD2 LEU 31 3HD2 LEU 31 3.032 -1.049 -1.500 247 H GLY 32 H GLY 32 5.089 -5.315 -5.004 248 1HA GLY 32 1HA GLY 32 3.853 -7.535 -3.675 249 2HA GLY 32 2HA GLY 32 4.183 -7.397 -5.396 250 H THR 33 H THR 33 7.045 -6.637 -4.110 251 HA THR 33 HA THR 33 7.959 -9.431 -4.037 252 HB THR 33 HB THR 33 10.021 -8.678 -5.204 253 HG1 THR 33 HG1 THR 33 8.766 -6.507 -6.355 254 1HG2 THR 33 1HG2 THR 33 8.986 -8.629 -7.445 255 2HG2 THR 33 2HG2 THR 33 7.409 -8.386 -6.685 256 3HG2 THR 33 3HG2 THR 33 8.304 -9.885 -6.408 257 H ARG 34 H ARG 34 8.407 -6.177 -2.827 258 HA ARG 34 HA ARG 34 10.782 -6.481 -1.423 259 1HB ARG 34 1HB ARG 34 8.356 -4.774 -0.973 260 2HB ARG 34 2HB ARG 34 9.687 -4.741 0.161 261 1HG ARG 34 1HG ARG 34 11.206 -4.122 -1.636 262 2HG ARG 34 2HG ARG 34 9.838 -4.076 -2.752 263 1HD ARG 34 1HD ARG 34 8.813 -2.306 -1.538 264 2HD ARG 34 2HD ARG 34 9.976 -2.463 -0.222 265 HE ARG 34 HE ARG 34 10.739 -1.589 -2.925 266 1HH1 ARG 34 1HH1 ARG 34 10.737 -1.146 0.545 267 2HH1 ARG 34 2HH1 ARG 34 12.011 0.032 0.522 268 1HH2 ARG 34 1HH2 ARG 34 12.428 -0.054 -2.955 269 2HH2 ARG 34 2HH2 ARG 34 12.976 0.660 -1.464 270 H ASP 35 H ASP 35 7.464 -7.013 -0.244 271 HA ASP 35 HA ASP 35 8.380 -9.153 1.426 272 1HB ASP 35 1HB ASP 35 7.362 -8.171 3.493 273 2HB ASP 35 2HB ASP 35 8.846 -7.393 2.973 274 HA PRO 36 HA PRO 36 4.540 -10.833 0.350 275 1HB PRO 36 1HB PRO 36 4.369 -12.131 2.984 276 2HB PRO 36 2HB PRO 36 4.538 -12.853 1.382 277 1HG PRO 36 1HG PRO 36 6.562 -12.833 3.141 278 2HG PRO 36 2HG PRO 36 6.836 -12.676 1.396 279 1HD PRO 36 1HD PRO 36 6.830 -10.560 3.514 280 2HD PRO 36 2HD PRO 36 7.910 -10.762 2.121 281 H ARG 37 H ARG 37 4.607 -8.476 2.691 282 HA ARG 37 HA ARG 37 2.165 -8.732 4.008 283 1HB ARG 37 1HB ARG 37 3.800 -6.364 3.208 284 2HB ARG 37 2HB ARG 37 2.274 -6.187 4.066 285 1HG ARG 37 1HG ARG 37 3.157 -7.651 5.842 286 2HG ARG 37 2HG ARG 37 4.706 -7.675 4.999 287 1HD ARG 37 1HD ARG 37 3.371 -5.110 5.743 288 2HD ARG 37 2HD ARG 37 4.387 -5.980 6.883 289 HE ARG 37 HE ARG 37 5.613 -5.525 4.314 290 1HH1 ARG 37 1HH1 ARG 37 5.028 -4.202 7.510 291 2HH1 ARG 37 2HH1 ARG 37 6.407 -3.134 7.460 292 1HH2 ARG 37 1HH2 ARG 37 7.444 -4.172 4.258 293 2HH2 ARG 37 2HH2 ARG 37 7.790 -3.142 5.620 294 H TYR 38 H TYR 38 2.923 -7.540 0.782 295 HA TYR 38 HA TYR 38 0.391 -6.354 0.307 296 1HB TYR 38 1HB TYR 38 2.577 -5.946 -0.972 297 2HB TYR 38 2HB TYR 38 2.224 -7.444 -1.829 298 HD1 TYR 38 HD1 TYR 38 1.111 -3.991 -1.229 299 HD2 TYR 38 HD2 TYR 38 0.488 -7.532 -3.505 300 HE1 TYR 38 HE1 TYR 38 -0.370 -2.751 -2.745 301 HE2 TYR 38 HE2 TYR 38 -0.988 -6.296 -5.034 302 HH TYR 38 HH TYR 38 -1.161 -2.974 -5.146 303 H TRP 39 H TRP 39 1.470 -9.567 0.438 304 HA TRP 39 HA TRP 39 -0.766 -10.533 -1.184 305 1HB TRP 39 1HB TRP 39 1.595 -12.069 -0.091 306 2HB TRP 39 2HB TRP 39 0.376 -12.681 -1.211 307 HD1 TRP 39 HD1 TRP 39 3.761 -11.474 -1.311 308 HE1 TRP 39 HE1 TRP 39 4.390 -10.516 -3.620 309 HE3 TRP 39 HE3 TRP 39 -0.934 -10.960 -3.284 310 HZ2 TRP 39 HZ2 TRP 39 3.067 -9.658 -5.958 311 HZ3 TRP 39 HZ3 TRP 39 -1.164 -10.057 -5.560 312 HH2 TRP 39 HH2 TRP 39 0.799 -9.422 -6.868 313 H MET 40 H MET 40 0.357 -10.236 2.055 314 HA MET 40 HA MET 40 -1.306 -12.143 3.308 315 1HB MET 40 1HB MET 40 -0.334 -9.458 4.326 316 2HB MET 40 2HB MET 40 -1.105 -10.683 5.323 317 1HG MET 40 1HG MET 40 1.504 -10.985 3.858 318 2HG MET 40 2HG MET 40 1.314 -10.697 5.585 319 1HE MET 40 1HE MET 40 0.217 -12.460 7.263 320 2HE MET 40 2HE MET 40 -0.435 -14.015 6.746 321 3HE MET 40 3HE MET 40 -1.219 -12.517 6.242 322 H VAL 41 H VAL 41 -1.746 -8.675 2.743 323 HA VAL 41 HA VAL 41 -4.623 -8.924 3.036 324 HB VAL 41 HB VAL 41 -3.735 -6.875 3.886 325 1HG1 VAL 41 1HG1 VAL 41 -2.441 -6.481 1.195 326 2HG1 VAL 41 2HG1 VAL 41 -1.625 -6.753 2.735 327 3HG1 VAL 41 3HG1 VAL 41 -2.518 -5.259 2.462 328 1HG2 VAL 41 1HG2 VAL 41 -5.870 -6.663 2.764 329 2HG2 VAL 41 2HG2 VAL 41 -5.051 -6.350 1.231 330 3HG2 VAL 41 3HG2 VAL 41 -4.915 -5.193 2.561 331 H ASP 42 H ASP 42 -5.836 -9.626 1.390 332 HA ASP 42 HA ASP 42 -4.713 -10.353 -1.025 333 1HB ASP 42 1HB ASP 42 -7.067 -10.734 -1.715 334 2HB ASP 42 2HB ASP 42 -6.590 -11.539 -0.252 335 H ASP 43 H ASP 43 -5.052 -9.675 -3.080 336 HA ASP 43 HA ASP 43 -4.708 -6.844 -3.214 337 1HB ASP 43 1HB ASP 43 -4.098 -7.325 -5.578 338 2HB ASP 43 2HB ASP 43 -3.143 -8.209 -4.406 339 H ASP 44 H ASP 44 -6.686 -5.944 -2.874 340 HA ASP 44 HA ASP 44 -8.495 -6.100 -5.179 341 1HB ASP 44 1HB ASP 44 -9.430 -6.089 -2.811 342 2HB ASP 44 2HB ASP 44 -8.849 -4.429 -2.674 343 HA PRO 45 HA PRO 45 -5.595 -2.914 -6.414 344 1HB PRO 45 1HB PRO 45 -7.170 -2.948 -8.894 345 2HB PRO 45 2HB PRO 45 -5.451 -3.209 -8.653 346 1HG PRO 45 1HG PRO 45 -7.054 -5.235 -9.269 347 2HG PRO 45 2HG PRO 45 -5.705 -5.434 -8.132 348 1HD PRO 45 1HD PRO 45 -8.620 -5.095 -7.564 349 2HD PRO 45 2HD PRO 45 -7.442 -6.188 -6.814 350 H LEU 46 H LEU 46 -9.087 -2.696 -6.528 351 HA LEU 46 HA LEU 46 -9.054 0.125 -7.145 352 1HB LEU 46 1HB LEU 46 -10.888 -1.720 -7.611 353 2HB LEU 46 2HB LEU 46 -11.429 -1.270 -6.010 354 HG LEU 46 HG LEU 46 -12.642 -0.123 -7.857 355 1HD1 LEU 46 1HD1 LEU 46 -12.580 2.102 -6.876 356 2HD1 LEU 46 2HD1 LEU 46 -11.082 1.698 -6.037 357 3HD1 LEU 46 3HD1 LEU 46 -12.578 0.856 -5.627 358 1HD2 LEU 46 1HD2 LEU 46 -11.510 1.697 -9.044 359 2HD2 LEU 46 2HD2 LEU 46 -10.801 0.126 -9.415 360 3HD2 LEU 46 3HD2 LEU 46 -9.983 1.220 -8.302 361 H TRP 47 H TRP 47 -9.558 -1.930 -4.294 362 HA TRP 47 HA TRP 47 -9.864 0.295 -2.516 363 1HB TRP 47 1HB TRP 47 -10.805 -1.819 -1.853 364 2HB TRP 47 2HB TRP 47 -9.232 -2.604 -1.969 365 HD1 TRP 47 HD1 TRP 47 -10.777 0.318 0.084 366 HE1 TRP 47 HE1 TRP 47 -9.812 0.200 2.471 367 HE3 TRP 47 HE3 TRP 47 -7.609 -3.592 -0.561 368 HZ2 TRP 47 HZ2 TRP 47 -7.918 -1.361 3.888 369 HZ3 TRP 47 HZ3 TRP 47 -6.243 -4.346 1.340 370 HH2 TRP 47 HH2 TRP 47 -6.380 -3.251 3.519 371 H LYS 48 H LYS 48 -7.161 -1.729 -3.538 372 HA LYS 48 HA LYS 48 -5.262 -0.689 -1.743 373 1HB LYS 48 1HB LYS 48 -5.205 -2.277 -4.201 374 2HB LYS 48 2HB LYS 48 -3.793 -1.256 -4.005 375 1HG LYS 48 1HG LYS 48 -3.403 -3.466 -3.097 376 2HG LYS 48 2HG LYS 48 -3.380 -2.253 -1.819 377 1HD LYS 48 1HD LYS 48 -5.704 -2.817 -1.278 378 2HD LYS 48 2HD LYS 48 -5.654 -4.092 -2.496 379 1HE LYS 48 1HE LYS 48 -3.789 -3.936 -0.130 380 2HE LYS 48 2HE LYS 48 -5.273 -4.882 -0.155 381 1HZ LYS 48 1HZ LYS 48 -4.375 -6.183 -1.980 382 2HZ LYS 48 2HZ LYS 48 -3.338 -6.245 -0.647 383 3HZ LYS 48 3HZ LYS 48 -2.953 -5.265 -1.974 384 H LYS 49 H LYS 49 -6.505 0.519 -4.805 385 HA LYS 49 HA LYS 49 -4.626 2.674 -4.927 386 1HB LYS 49 1HB LYS 49 -7.154 2.004 -6.409 387 2HB LYS 49 2HB LYS 49 -6.392 3.579 -6.591 388 1HG LYS 49 1HG LYS 49 -4.333 2.457 -7.317 389 2HG LYS 49 2HG LYS 49 -5.170 0.907 -7.183 390 1HD LYS 49 1HD LYS 49 -6.924 2.282 -8.703 391 2HD LYS 49 2HD LYS 49 -5.403 3.013 -9.226 392 1HE LYS 49 1HE LYS 49 -4.509 0.743 -9.626 393 2HE LYS 49 2HE LYS 49 -6.093 0.092 -9.201 394 1HZ LYS 49 1HZ LYS 49 -5.821 0.279 -11.598 395 2HZ LYS 49 2HZ LYS 49 -5.533 1.943 -11.458 396 3HZ LYS 49 3HZ LYS 49 -7.053 1.310 -11.060 397 H GLU 50 H GLU 50 -7.947 2.243 -3.792 398 HA GLU 50 HA GLU 50 -8.464 4.943 -3.193 399 1HB GLU 50 1HB GLU 50 -9.627 2.359 -2.259 400 2HB GLU 50 2HB GLU 50 -10.106 3.856 -1.485 401 1HG GLU 50 1HG GLU 50 -10.661 4.698 -3.818 402 2HG GLU 50 2HG GLU 50 -10.500 3.019 -4.335 403 H MET 51 H MET 51 -7.029 2.348 -1.279 404 HA MET 51 HA MET 51 -6.824 4.005 1.052 405 1HB MET 51 1HB MET 51 -5.620 2.146 2.047 406 2HB MET 51 2HB MET 51 -7.082 1.578 1.251 407 1HG MET 51 1HG MET 51 -5.753 0.831 -0.653 408 2HG MET 51 2HG MET 51 -4.288 1.389 0.146 409 1HE MET 51 1HE MET 51 -4.702 -0.903 3.469 410 2HE MET 51 2HE MET 51 -5.583 0.604 3.163 411 3HE MET 51 3HE MET 51 -3.847 0.507 2.819 412 H PHE 52 H PHE 52 -4.932 3.351 -1.755 413 HA PHE 52 HA PHE 52 -2.443 4.346 -0.810 414 1HB PHE 52 1HB PHE 52 -2.613 2.985 -2.842 415 2HB PHE 52 2HB PHE 52 -3.591 4.225 -3.612 416 HD1 PHE 52 HD1 PHE 52 -0.399 4.452 -1.676 417 HD2 PHE 52 HD2 PHE 52 -2.402 5.043 -5.384 418 HE1 PHE 52 HE1 PHE 52 1.638 5.465 -2.614 419 HE2 PHE 52 HE2 PHE 52 -0.370 6.060 -6.325 420 HZ PHE 52 HZ PHE 52 1.654 6.273 -4.944 421 H GLU 53 H GLU 53 -5.275 5.797 -2.344 422 HA GLU 53 HA GLU 53 -4.308 8.448 -2.443 423 1HB GLU 53 1HB GLU 53 -7.120 7.362 -2.222 424 2HB GLU 53 2HB GLU 53 -6.729 9.042 -2.555 425 1HG GLU 53 1HG GLU 53 -5.773 6.793 -4.267 426 2HG GLU 53 2HG GLU 53 -7.306 7.608 -4.537 427 H LYS 54 H LYS 54 -5.782 6.507 0.061 428 HA LYS 54 HA LYS 54 -6.173 8.612 1.936 429 1HB LYS 54 1HB LYS 54 -7.362 6.549 2.259 430 2HB LYS 54 2HB LYS 54 -5.855 5.641 2.312 431 1HG LYS 54 1HG LYS 54 -6.137 5.807 4.523 432 2HG LYS 54 2HG LYS 54 -5.429 7.420 4.308 433 1HD LYS 54 1HD LYS 54 -7.628 8.403 4.216 434 2HD LYS 54 2HD LYS 54 -8.395 6.812 4.232 435 1HE LYS 54 1HE LYS 54 -6.739 8.012 6.437 436 2HE LYS 54 2HE LYS 54 -8.493 7.861 6.428 437 1HZ LYS 54 1HZ LYS 54 -8.271 5.468 6.419 438 2HZ LYS 54 2HZ LYS 54 -7.399 6.111 7.725 439 3HZ LYS 54 3HZ LYS 54 -6.583 5.585 6.338 440 H TYR 55 H TYR 55 -3.576 6.366 1.236 441 HA TYR 55 HA TYR 55 -1.989 7.054 3.460 442 1HB TYR 55 1HB TYR 55 -1.507 5.011 2.311 443 2HB TYR 55 2HB TYR 55 -1.282 5.847 0.780 444 HD1 TYR 55 HD1 TYR 55 0.903 5.989 0.079 445 HD2 TYR 55 HD2 TYR 55 0.087 6.117 4.247 446 HE1 TYR 55 HE1 TYR 55 3.301 6.248 0.533 447 HE2 TYR 55 HE2 TYR 55 2.482 6.374 4.716 448 HH TYR 55 HH TYR 55 4.794 6.971 2.178 449 H LEU 56 H LEU 56 -2.330 8.444 0.262 450 HA LEU 56 HA LEU 56 -0.063 10.151 0.588 451 1HB LEU 56 1HB LEU 56 -2.299 10.265 -1.429 452 2HB LEU 56 2HB LEU 56 -0.798 11.148 -1.515 453 HG LEU 56 HG LEU 56 -1.117 8.160 -1.696 454 1HD1 LEU 56 1HD1 LEU 56 -0.266 10.208 -3.733 455 2HD1 LEU 56 2HD1 LEU 56 -1.801 9.341 -3.707 456 3HD1 LEU 56 3HD1 LEU 56 -0.296 8.462 -3.976 457 1HD2 LEU 56 1HD2 LEU 56 0.931 8.712 -0.514 458 2HD2 LEU 56 2HD2 LEU 56 1.379 9.847 -1.790 459 3HD2 LEU 56 3HD2 LEU 56 1.295 8.117 -2.137 460 H SER 57 H SER 57 -3.525 10.438 1.127 461 HA SER 57 HA SER 57 -3.323 13.273 1.648 462 1HB SER 57 1HB SER 57 -5.758 13.023 2.219 463 2HB SER 57 2HB SER 57 -5.310 12.541 0.584 464 HG SER 57 HG SER 57 -5.861 10.554 1.011 465 H ASN 58 H ASN 58 -4.515 10.528 3.584 466 HA ASN 58 HA ASN 58 -4.373 11.964 6.041 467 1HB ASN 58 1HB ASN 58 -5.857 9.939 5.451 468 2HB ASN 58 2HB ASN 58 -4.442 8.965 5.795 469 1HD2 ASN 58 1HD2 ASN 58 -3.491 10.629 7.987 470 2HD2 ASN 58 2HD2 ASN 58 -4.571 10.337 9.311 471 H ARG 59 H ARG 59 -2.449 9.352 4.609 472 HA ARG 59 HA ARG 59 -0.219 8.847 4.814 473 1HB ARG 59 1HB ARG 59 -0.201 11.458 6.303 474 2HB ARG 59 2HB ARG 59 1.210 10.417 6.334 475 1HG ARG 59 1HG ARG 59 -0.046 11.357 3.778 476 2HG ARG 59 2HG ARG 59 1.205 12.269 4.626 477 1HD ARG 59 1HD ARG 59 2.635 10.212 4.527 478 2HD ARG 59 2HD ARG 59 1.415 9.490 3.482 479 HE ARG 59 HE ARG 59 1.965 11.771 2.184 480 1HH1 ARG 59 1HH1 ARG 59 4.032 9.298 3.537 481 2HH1 ARG 59 2HH1 ARG 59 5.328 9.584 2.419 482 1HH2 ARG 59 1HH2 ARG 59 3.647 12.161 0.714 483 2HH2 ARG 59 2HH2 ARG 59 5.119 11.232 0.819 Start of MODEL 11 1 1H GLY 1 1H GLY 1 -10.056 -7.436 9.885 2 2H GLY 1 2H GLY 1 -11.353 -8.505 9.634 3 3H GLY 1 3H GLY 1 -11.329 -7.004 8.848 4 1HA GLY 1 1HA GLY 1 -9.398 -9.217 8.405 5 2HA GLY 1 2HA GLY 1 -10.728 -8.800 7.335 6 H ALA 2 H ALA 2 -10.709 -6.679 6.340 7 HA ALA 2 HA ALA 2 -8.061 -6.020 5.422 8 1HB ALA 2 1HB ALA 2 -9.177 -4.514 3.876 9 2HB ALA 2 2HB ALA 2 -10.700 -4.734 4.739 10 3HB ALA 2 3HB ALA 2 -9.970 -6.090 3.882 11 H MET 3 H MET 3 -9.408 -5.267 8.185 12 HA MET 3 HA MET 3 -8.837 -2.431 8.262 13 1HB MET 3 1HB MET 3 -10.701 -3.074 9.575 14 2HB MET 3 2HB MET 3 -9.852 -4.460 10.246 15 1HG MET 3 1HG MET 3 -8.373 -2.938 11.454 16 2HG MET 3 2HG MET 3 -9.294 -1.566 10.840 17 1HE MET 3 1HE MET 3 -10.652 -5.083 11.984 18 2HE MET 3 2HE MET 3 -11.038 -4.771 13.676 19 3HE MET 3 3HE MET 3 -9.359 -4.759 13.137 20 H GLU 4 H GLU 4 -7.731 -5.371 9.909 21 HA GLU 4 HA GLU 4 -5.458 -4.299 11.128 22 1HB GLU 4 1HB GLU 4 -5.818 -7.104 10.174 23 2HB GLU 4 2HB GLU 4 -4.777 -6.553 11.478 24 1HG GLU 4 1HG GLU 4 -6.473 -7.136 12.775 25 2HG GLU 4 2HG GLU 4 -7.168 -5.605 12.281 26 H ALA 5 H ALA 5 -5.914 -5.978 8.073 27 HA ALA 5 HA ALA 5 -3.229 -6.008 7.253 28 1HB ALA 5 1HB ALA 5 -4.957 -7.457 6.297 29 2HB ALA 5 2HB ALA 5 -4.088 -6.561 5.050 30 3HB ALA 5 3HB ALA 5 -5.707 -6.054 5.537 31 H GLU 6 H GLU 6 -5.736 -3.572 6.997 32 HA GLU 6 HA GLU 6 -4.591 -1.888 5.069 33 1HB GLU 6 1HB GLU 6 -6.868 -1.647 6.116 34 2HB GLU 6 2HB GLU 6 -6.081 -0.984 7.529 35 1HG GLU 6 1HG GLU 6 -5.026 0.684 5.854 36 2HG GLU 6 2HG GLU 6 -6.351 0.191 4.803 37 H LYS 7 H LYS 7 -4.451 -1.707 8.584 38 HA LYS 7 HA LYS 7 -2.633 0.400 8.764 39 1HB LYS 7 1HB LYS 7 -4.034 -1.103 10.555 40 2HB LYS 7 2HB LYS 7 -2.361 -1.527 10.916 41 1HG LYS 7 1HG LYS 7 -3.182 0.401 12.195 42 2HG LYS 7 2HG LYS 7 -1.779 0.777 11.211 43 1HD LYS 7 1HD LYS 7 -3.366 2.579 11.028 44 2HD LYS 7 2HD LYS 7 -3.316 1.711 9.494 45 1HE LYS 7 1HE LYS 7 -5.341 0.472 10.167 46 2HE LYS 7 2HE LYS 7 -5.408 1.426 11.649 47 1HZ LYS 7 1HZ LYS 7 -5.409 3.411 10.012 48 2HZ LYS 7 2HZ LYS 7 -6.841 2.550 10.271 49 3HZ LYS 7 3HZ LYS 7 -5.929 2.266 8.867 50 H GLU 8 H GLU 8 -2.024 -3.097 8.712 51 HA GLU 8 HA GLU 8 0.776 -2.981 8.948 52 1HB GLU 8 1HB GLU 8 -0.941 -5.003 7.498 53 2HB GLU 8 2HB GLU 8 0.754 -5.228 7.900 54 1HG GLU 8 1HG GLU 8 -1.477 -4.851 9.883 55 2HG GLU 8 2HG GLU 8 -0.734 -6.390 9.453 56 H PHE 9 H PHE 9 -1.360 -2.769 6.188 57 HA PHE 9 HA PHE 9 0.578 -2.765 4.122 58 1HB PHE 9 1HB PHE 9 -1.925 -3.127 3.945 59 2HB PHE 9 2HB PHE 9 -2.140 -1.406 4.197 60 HD1 PHE 9 HD1 PHE 9 -0.949 0.144 2.422 61 HD2 PHE 9 HD2 PHE 9 -1.835 -3.981 1.842 62 HE1 PHE 9 HE1 PHE 9 -0.968 0.492 -0.015 63 HE2 PHE 9 HE2 PHE 9 -1.842 -3.641 -0.591 64 HZ PHE 9 HZ PHE 9 -1.435 -1.403 -1.532 65 H ILE 10 H ILE 10 -0.869 -0.172 6.082 66 HA ILE 10 HA ILE 10 0.369 1.958 4.651 67 HB ILE 10 HB ILE 10 -0.667 1.916 7.489 68 1HG1 ILE 10 1HG1 ILE 10 -2.370 1.301 5.820 69 2HG1 ILE 10 2HG1 ILE 10 -2.707 2.858 6.561 70 1HG2 ILE 10 1HG2 ILE 10 -0.095 4.250 5.663 71 2HG2 ILE 10 2HG2 ILE 10 0.840 3.791 7.092 72 3HG2 ILE 10 3HG2 ILE 10 -0.830 4.346 7.268 73 1HD1 ILE 10 1HD1 ILE 10 -1.495 2.421 3.842 74 2HD1 ILE 10 2HD1 ILE 10 -1.828 3.988 4.579 75 3HD1 ILE 10 3HD1 ILE 10 -3.159 2.903 4.177 76 H THR 11 H THR 11 1.216 0.105 7.525 77 HA THR 11 HA THR 11 3.573 1.545 8.148 78 HB THR 11 HB THR 11 2.938 -1.340 8.800 79 HG1 THR 11 HG1 THR 11 1.697 -0.587 10.382 80 1HG2 THR 11 1HG2 THR 11 4.425 -0.972 10.725 81 2HG2 THR 11 2HG2 THR 11 4.781 0.652 10.134 82 3HG2 THR 11 3HG2 THR 11 5.280 -0.756 9.196 83 H MET 12 H MET 12 2.847 -1.039 5.976 84 HA MET 12 HA MET 12 5.516 -1.798 5.365 85 1HB MET 12 1HB MET 12 3.914 -3.451 4.881 86 2HB MET 12 2HB MET 12 2.809 -2.296 4.150 87 1HG MET 12 1HG MET 12 4.264 -2.077 2.242 88 2HG MET 12 2HG MET 12 5.419 -3.205 2.958 89 1HE MET 12 1HE MET 12 2.120 -2.690 1.025 90 2HE MET 12 2HE MET 12 1.490 -3.111 2.616 91 3HE MET 12 3HE MET 12 1.266 -4.215 1.261 92 H LEU 13 H LEU 13 3.154 0.485 4.224 93 HA LEU 13 HA LEU 13 4.562 1.247 1.902 94 1HB LEU 13 1HB LEU 13 2.420 2.649 3.470 95 2HB LEU 13 2HB LEU 13 3.110 3.291 1.990 96 HG LEU 13 HG LEU 13 0.997 1.360 2.314 97 1HD1 LEU 13 1HD1 LEU 13 2.231 2.710 -0.066 98 2HD1 LEU 13 2HD1 LEU 13 0.932 3.363 0.934 99 3HD1 LEU 13 3HD1 LEU 13 0.656 1.915 -0.038 100 1HD2 LEU 13 1HD2 LEU 13 1.697 -0.209 0.561 101 2HD2 LEU 13 2HD2 LEU 13 2.726 -0.335 1.988 102 3HD2 LEU 13 3HD2 LEU 13 3.303 0.516 0.556 103 H LYS 14 H LYS 14 4.434 2.472 5.221 104 HA LYS 14 HA LYS 14 6.136 4.665 4.815 105 1HB LYS 14 1HB LYS 14 5.377 3.100 7.229 106 2HB LYS 14 2HB LYS 14 6.630 4.336 7.324 107 1HG LYS 14 1HG LYS 14 5.154 6.003 7.208 108 2HG LYS 14 2HG LYS 14 4.221 5.210 5.936 109 1HD LYS 14 1HD LYS 14 2.839 5.393 7.866 110 2HD LYS 14 2HD LYS 14 3.303 3.710 7.614 111 1HE LYS 14 1HE LYS 14 3.448 4.289 9.981 112 2HE LYS 14 2HE LYS 14 5.042 3.927 9.322 113 1HZ LYS 14 1HZ LYS 14 3.944 6.661 9.706 114 2HZ LYS 14 2HZ LYS 14 5.506 6.279 9.169 115 3HZ LYS 14 3HZ LYS 14 5.038 5.902 10.756 116 H GLU 15 H GLU 15 6.726 1.296 5.507 117 HA GLU 15 HA GLU 15 9.492 1.481 5.951 118 1HB GLU 15 1HB GLU 15 7.510 -0.655 5.454 119 2HB GLU 15 2HB GLU 15 9.204 -1.054 5.318 120 1HG GLU 15 1HG GLU 15 9.535 -0.223 7.590 121 2HG GLU 15 2HG GLU 15 7.815 0.107 7.708 122 H ASN 16 H ASN 16 7.570 1.385 3.052 123 HA ASN 16 HA ASN 16 9.997 0.932 1.474 124 1HB ASN 16 1HB ASN 16 7.219 0.275 1.040 125 2HB ASN 16 2HB ASN 16 7.882 1.181 -0.319 126 1HD2 ASN 16 1HD2 ASN 16 9.656 -1.003 1.807 127 2HD2 ASN 16 2HD2 ASN 16 10.034 -2.165 0.589 128 H GLN 17 H GLN 17 8.641 3.452 2.857 129 HA GLN 17 HA GLN 17 8.828 5.687 2.622 130 1HB GLN 17 1HB GLN 17 10.980 4.591 0.899 131 2HB GLN 17 2HB GLN 17 10.721 6.334 0.939 132 1HG GLN 17 1HG GLN 17 11.062 4.704 3.421 133 2HG GLN 17 2HG GLN 17 12.445 5.347 2.534 134 1HE2 GLN 17 1HE2 GLN 17 10.962 7.757 1.756 135 2HE2 GLN 17 2HE2 GLN 17 10.919 8.753 3.172 136 H VAL 18 H VAL 18 6.828 4.375 0.923 137 HA VAL 18 HA VAL 18 6.855 5.564 -1.652 138 HB VAL 18 HB VAL 18 5.415 3.815 -1.728 139 1HG1 VAL 18 1HG1 VAL 18 5.598 3.160 0.519 140 2HG1 VAL 18 2HG1 VAL 18 3.904 3.113 0.021 141 3HG1 VAL 18 3HG1 VAL 18 4.498 4.451 1.013 142 1HG2 VAL 18 1HG2 VAL 18 3.069 4.466 -1.736 143 2HG2 VAL 18 2HG2 VAL 18 4.092 5.675 -2.529 144 3HG2 VAL 18 3HG2 VAL 18 3.497 5.958 -0.885 145 H ASP 19 H ASP 19 5.832 7.302 -2.459 146 HA ASP 19 HA ASP 19 4.341 9.078 -0.750 147 1HB ASP 19 1HB ASP 19 6.220 10.184 -0.205 148 2HB ASP 19 2HB ASP 19 7.117 9.550 -1.559 149 H SER 20 H SER 20 4.130 11.229 -2.410 150 HA SER 20 HA SER 20 2.166 10.285 -4.194 151 1HB SER 20 1HB SER 20 2.362 12.696 -5.133 152 2HB SER 20 2HB SER 20 1.849 12.474 -3.460 153 HG SER 20 HG SER 20 4.140 13.627 -4.476 154 H THR 21 H THR 21 5.570 10.667 -4.613 155 HA THR 21 HA THR 21 5.524 10.774 -7.476 156 HB THR 21 HB THR 21 8.011 10.242 -7.196 157 HG1 THR 21 HG1 THR 21 7.370 10.872 -4.477 158 1HG2 THR 21 1HG2 THR 21 6.854 12.720 -5.923 159 2HG2 THR 21 2HG2 THR 21 7.126 12.475 -7.648 160 3HG2 THR 21 3HG2 THR 21 8.497 12.546 -6.539 161 H TRP 22 H TRP 22 4.823 8.304 -5.419 162 HA TRP 22 HA TRP 22 5.953 6.137 -6.994 163 1HB TRP 22 1HB TRP 22 4.333 6.391 -4.544 164 2HB TRP 22 2HB TRP 22 4.104 4.929 -5.477 165 HD1 TRP 22 HD1 TRP 22 7.312 6.834 -4.285 166 HE1 TRP 22 HE1 TRP 22 8.855 5.070 -3.177 167 HE3 TRP 22 HE3 TRP 22 4.415 2.740 -4.919 168 HZ2 TRP 22 HZ2 TRP 22 8.758 2.246 -2.644 169 HZ3 TRP 22 HZ3 TRP 22 5.127 0.583 -4.084 170 HH2 TRP 22 HH2 TRP 22 7.249 0.323 -2.979 171 H SER 23 H SER 23 4.850 4.889 -8.441 172 HA SER 23 HA SER 23 2.138 5.722 -9.206 173 1HB SER 23 1HB SER 23 2.596 4.375 -11.257 174 2HB SER 23 2HB SER 23 3.788 5.655 -11.025 175 HG SER 23 HG SER 23 5.289 4.190 -10.849 176 H PHE 24 H PHE 24 0.616 3.810 -9.765 177 HA PHE 24 HA PHE 24 0.849 1.825 -7.626 178 1HB PHE 24 1HB PHE 24 -1.286 3.059 -8.380 179 2HB PHE 24 2HB PHE 24 -1.274 1.989 -9.772 180 HD1 PHE 24 HD1 PHE 24 -1.680 2.187 -6.140 181 HD2 PHE 24 HD2 PHE 24 -1.961 -0.297 -9.580 182 HE1 PHE 24 HE1 PHE 24 -2.922 0.522 -4.830 183 HE2 PHE 24 HE2 PHE 24 -3.207 -1.969 -8.275 184 HZ PHE 24 HZ PHE 24 -3.690 -1.558 -5.894 185 H SER 25 H SER 25 2.331 2.163 -10.344 186 HA SER 25 HA SER 25 2.253 -0.596 -11.237 187 1HB SER 25 1HB SER 25 2.619 1.173 -12.931 188 2HB SER 25 2HB SER 25 4.047 1.721 -12.055 189 HG SER 25 HG SER 25 3.658 -0.775 -13.367 190 H ARG 26 H ARG 26 4.193 1.712 -9.492 191 HA ARG 26 HA ARG 26 6.347 0.010 -8.836 192 1HB ARG 26 1HB ARG 26 6.110 2.598 -8.629 193 2HB ARG 26 2HB ARG 26 5.345 2.249 -7.101 194 1HG ARG 26 1HG ARG 26 7.320 1.301 -6.241 195 2HG ARG 26 2HG ARG 26 8.084 1.321 -7.828 196 1HD ARG 26 1HD ARG 26 7.638 3.858 -7.760 197 2HD ARG 26 2HD ARG 26 7.409 3.608 -6.041 198 HE ARG 26 HE ARG 26 9.787 2.403 -6.586 199 1HH1 ARG 26 1HH1 ARG 26 8.520 5.610 -7.162 200 2HH1 ARG 26 2HH1 ARG 26 10.041 6.399 -6.868 201 1HH2 ARG 26 1HH2 ARG 26 11.794 3.438 -6.216 202 2HH2 ARG 26 2HH2 ARG 26 11.899 5.172 -6.344 203 H ILE 27 H ILE 27 3.221 0.677 -7.414 204 HA ILE 27 HA ILE 27 3.620 -0.688 -4.974 205 HB ILE 27 HB ILE 27 1.085 -0.029 -6.480 206 1HG1 ILE 27 1HG1 ILE 27 2.484 1.217 -4.105 207 2HG1 ILE 27 2HG1 ILE 27 2.359 1.903 -5.721 208 1HG2 ILE 27 1HG2 ILE 27 1.368 -1.053 -3.653 209 2HG2 ILE 27 2HG2 ILE 27 0.710 -1.961 -5.014 210 3HG2 ILE 27 3HG2 ILE 27 -0.128 -0.526 -4.423 211 1HD1 ILE 27 1HD1 ILE 27 0.085 1.416 -3.814 212 2HD1 ILE 27 2HD1 ILE 27 -0.061 2.083 -5.441 213 3HD1 ILE 27 3HD1 ILE 27 0.819 2.974 -4.198 214 H ILE 28 H ILE 28 2.263 -1.755 -8.123 215 HA ILE 28 HA ILE 28 1.958 -4.433 -7.101 216 HB ILE 28 HB ILE 28 1.872 -3.423 -9.952 217 1HG1 ILE 28 1HG1 ILE 28 -0.322 -4.112 -7.983 218 2HG1 ILE 28 2HG1 ILE 28 0.129 -2.491 -8.498 219 1HG2 ILE 28 1HG2 ILE 28 1.058 -6.102 -8.824 220 2HG2 ILE 28 2HG2 ILE 28 2.415 -5.795 -9.906 221 3HG2 ILE 28 3HG2 ILE 28 0.764 -5.553 -10.474 222 1HD1 ILE 28 1HD1 ILE 28 -1.035 -4.648 -10.243 223 2HD1 ILE 28 2HD1 ILE 28 -0.556 -3.039 -10.782 224 3HD1 ILE 28 3HD1 ILE 28 -1.875 -3.224 -9.628 225 H SER 29 H SER 29 4.550 -2.711 -8.786 226 HA SER 29 HA SER 29 5.814 -5.193 -9.596 227 1HB SER 29 1HB SER 29 7.329 -3.832 -10.836 228 2HB SER 29 2HB SER 29 5.743 -3.082 -10.990 229 HG SER 29 HG SER 29 8.007 -2.199 -9.634 230 H GLU 30 H GLU 30 6.473 -2.578 -7.268 231 HA GLU 30 HA GLU 30 8.876 -4.054 -6.424 232 1HB GLU 30 1HB GLU 30 8.139 -1.273 -5.542 233 2HB GLU 30 2HB GLU 30 9.715 -2.052 -5.488 234 1HG GLU 30 1HG GLU 30 8.255 -1.086 -7.907 235 2HG GLU 30 2HG GLU 30 9.705 -0.388 -7.203 236 H LEU 31 H LEU 31 5.840 -2.730 -5.364 237 HA LEU 31 HA LEU 31 6.474 -2.987 -2.573 238 1HB LEU 31 1HB LEU 31 5.016 -1.272 -3.831 239 2HB LEU 31 2HB LEU 31 3.758 -2.474 -3.725 240 HG LEU 31 HG LEU 31 3.783 -2.349 -1.338 241 1HD1 LEU 31 1HD1 LEU 31 6.156 -2.032 -0.975 242 2HD1 LEU 31 2HD1 LEU 31 5.222 -0.797 -0.130 243 3HD1 LEU 31 3HD1 LEU 31 6.044 -0.404 -1.640 244 1HD2 LEU 31 1HD2 LEU 31 3.799 0.382 -2.579 245 2HD2 LEU 31 2HD2 LEU 31 3.074 -0.032 -1.025 246 3HD2 LEU 31 3HD2 LEU 31 2.426 -0.722 -2.511 247 H GLY 32 H GLY 32 4.521 -4.679 -4.953 248 1HA GLY 32 1HA GLY 32 3.396 -6.595 -3.186 249 2HA GLY 32 2HA GLY 32 3.537 -6.746 -4.932 250 H THR 33 H THR 33 6.532 -6.275 -4.616 251 HA THR 33 HA THR 33 7.151 -9.081 -4.051 252 HB THR 33 HB THR 33 9.262 -8.626 -5.288 253 HG1 THR 33 HG1 THR 33 8.280 -6.448 -6.615 254 1HG2 THR 33 1HG2 THR 33 8.216 -8.658 -7.503 255 2HG2 THR 33 2HG2 THR 33 6.692 -8.121 -6.784 256 3HG2 THR 33 3HG2 THR 33 7.357 -9.704 -6.368 257 H ARG 34 H ARG 34 7.909 -5.835 -3.050 258 HA ARG 34 HA ARG 34 10.257 -6.327 -1.589 259 1HB ARG 34 1HB ARG 34 8.351 -4.172 -1.858 260 2HB ARG 34 2HB ARG 34 8.906 -4.325 -0.200 261 1HG ARG 34 1HG ARG 34 10.249 -2.742 -1.421 262 2HG ARG 34 2HG ARG 34 11.225 -4.135 -0.974 263 1HD ARG 34 1HD ARG 34 11.656 -4.613 -3.110 264 2HD ARG 34 2HD ARG 34 9.962 -4.435 -3.557 265 HE ARG 34 HE ARG 34 10.644 -1.886 -3.367 266 1HH1 ARG 34 1HH1 ARG 34 12.380 -4.557 -4.815 267 2HH1 ARG 34 2HH1 ARG 34 13.151 -3.570 -6.016 268 1HH2 ARG 34 1HH2 ARG 34 11.682 -0.581 -4.942 269 2HH2 ARG 34 2HH2 ARG 34 12.749 -1.322 -6.096 270 H ASP 35 H ASP 35 6.839 -6.410 -0.600 271 HA ASP 35 HA ASP 35 7.675 -7.713 1.892 272 1HB ASP 35 1HB ASP 35 7.385 -5.133 2.021 273 2HB ASP 35 2HB ASP 35 5.663 -5.496 1.982 274 HA PRO 36 HA PRO 36 4.240 -10.322 0.920 275 1HB PRO 36 1HB PRO 36 4.400 -11.185 3.722 276 2HB PRO 36 2HB PRO 36 4.668 -12.113 2.246 277 1HG PRO 36 1HG PRO 36 6.695 -11.440 3.874 278 2HG PRO 36 2HG PRO 36 6.890 -11.516 2.112 279 1HD PRO 36 1HD PRO 36 6.503 -9.120 3.871 280 2HD PRO 36 2HD PRO 36 7.602 -9.340 2.495 281 H ARG 37 H ARG 37 4.182 -7.882 3.352 282 HA ARG 37 HA ARG 37 1.636 -8.303 4.439 283 1HB ARG 37 1HB ARG 37 3.427 -5.954 4.184 284 2HB ARG 37 2HB ARG 37 1.767 -5.716 4.709 285 1HG ARG 37 1HG ARG 37 2.055 -7.208 6.541 286 2HG ARG 37 2HG ARG 37 3.655 -7.654 5.967 287 1HD ARG 37 1HD ARG 37 2.918 -4.853 6.690 288 2HD ARG 37 2HD ARG 37 3.560 -6.002 7.860 289 HE ARG 37 HE ARG 37 5.230 -5.953 5.600 290 1HH1 ARG 37 1HH1 ARG 37 4.380 -3.892 8.334 291 2HH1 ARG 37 2HH1 ARG 37 5.930 -3.094 8.346 292 1HH2 ARG 37 1HH2 ARG 37 7.219 -4.924 5.648 293 2HH2 ARG 37 2HH2 ARG 37 7.548 -3.694 6.845 294 H TYR 38 H TYR 38 2.561 -7.154 1.305 295 HA TYR 38 HA TYR 38 0.153 -5.807 0.647 296 1HB TYR 38 1HB TYR 38 2.277 -5.579 -0.632 297 2HB TYR 38 2HB TYR 38 2.099 -7.240 -1.185 298 HD1 TYR 38 HD1 TYR 38 0.717 -7.767 -3.037 299 HD2 TYR 38 HD2 TYR 38 0.607 -3.860 -1.360 300 HE1 TYR 38 HE1 TYR 38 -0.626 -6.993 -4.947 301 HE2 TYR 38 HE2 TYR 38 -0.733 -3.073 -3.265 302 HH TYR 38 HH TYR 38 -2.248 -5.190 -5.431 303 H TRP 39 H TRP 39 0.973 -9.099 1.043 304 HA TRP 39 HA TRP 39 -1.259 -10.028 -0.616 305 1HB TRP 39 1HB TRP 39 0.950 -11.650 0.657 306 2HB TRP 39 2HB TRP 39 -0.212 -12.209 -0.546 307 HD1 TRP 39 HD1 TRP 39 3.223 -11.010 -0.318 308 HE1 TRP 39 HE1 TRP 39 4.092 -10.222 -2.609 309 HE3 TRP 39 HE3 TRP 39 -1.224 -10.743 -2.830 310 HZ2 TRP 39 HZ2 TRP 39 3.033 -9.571 -5.138 311 HZ3 TRP 39 HZ3 TRP 39 -1.209 -10.013 -5.178 312 HH2 TRP 39 HH2 TRP 39 0.881 -9.437 -6.306 313 H MET 40 H MET 40 -0.340 -9.570 2.644 314 HA MET 40 HA MET 40 -1.738 -11.575 3.973 315 1HB MET 40 1HB MET 40 -1.294 -8.696 4.785 316 2HB MET 40 2HB MET 40 -1.927 -9.936 5.858 317 1HG MET 40 1HG MET 40 0.773 -9.953 4.538 318 2HG MET 40 2HG MET 40 0.443 -9.571 6.226 319 1HE MET 40 1HE MET 40 -0.451 -11.345 7.998 320 2HE MET 40 2HE MET 40 -0.830 -13.020 7.596 321 3HE MET 40 3HE MET 40 -1.817 -11.713 6.943 322 H VAL 41 H VAL 41 -2.858 -8.521 2.666 323 HA VAL 41 HA VAL 41 -5.638 -9.326 3.121 324 HB VAL 41 HB VAL 41 -5.137 -7.000 3.673 325 1HG1 VAL 41 1HG1 VAL 41 -4.401 -5.394 2.011 326 2HG1 VAL 41 2HG1 VAL 41 -4.265 -6.679 0.813 327 3HG1 VAL 41 3HG1 VAL 41 -3.207 -6.670 2.225 328 1HG2 VAL 41 1HG2 VAL 41 -7.345 -7.494 2.775 329 2HG2 VAL 41 2HG2 VAL 41 -6.752 -7.209 1.139 330 3HG2 VAL 41 3HG2 VAL 41 -6.820 -5.879 2.296 331 H ASP 42 H ASP 42 -6.898 -10.066 1.422 332 HA ASP 42 HA ASP 42 -5.687 -10.907 -0.934 333 1HB ASP 42 1HB ASP 42 -8.113 -11.088 -1.707 334 2HB ASP 42 2HB ASP 42 -7.605 -12.072 -0.366 335 H ASP 43 H ASP 43 -5.906 -10.165 -3.037 336 HA ASP 43 HA ASP 43 -5.248 -7.373 -2.891 337 1HB ASP 43 1HB ASP 43 -3.800 -9.002 -4.071 338 2HB ASP 43 2HB ASP 43 -5.061 -9.184 -5.293 339 H ASP 44 H ASP 44 -7.040 -6.186 -2.740 340 HA ASP 44 HA ASP 44 -8.788 -6.116 -5.093 341 1HB ASP 44 1HB ASP 44 -9.775 -6.087 -2.748 342 2HB ASP 44 2HB ASP 44 -9.044 -4.498 -2.544 343 HA PRO 45 HA PRO 45 -5.663 -3.082 -6.268 344 1HB PRO 45 1HB PRO 45 -7.224 -3.004 -8.746 345 2HB PRO 45 2HB PRO 45 -5.527 -3.378 -8.502 346 1HG PRO 45 1HG PRO 45 -7.270 -5.285 -9.146 347 2HG PRO 45 2HG PRO 45 -5.922 -5.588 -8.032 348 1HD PRO 45 1HD PRO 45 -8.803 -5.093 -7.422 349 2HD PRO 45 2HD PRO 45 -7.676 -6.257 -6.700 350 H LEU 46 H LEU 46 -9.139 -2.742 -6.447 351 HA LEU 46 HA LEU 46 -9.063 0.070 -7.018 352 1HB LEU 46 1HB LEU 46 -10.957 -1.686 -7.444 353 2HB LEU 46 2HB LEU 46 -11.407 -1.312 -5.795 354 HG LEU 46 HG LEU 46 -12.671 -0.068 -7.594 355 1HD1 LEU 46 1HD1 LEU 46 -12.641 0.701 -5.275 356 2HD1 LEU 46 2HD1 LEU 46 -12.674 2.050 -6.411 357 3HD1 LEU 46 3HD1 LEU 46 -11.169 1.618 -5.601 358 1HD2 LEU 46 1HD2 LEU 46 -10.808 0.355 -9.093 359 2HD2 LEU 46 2HD2 LEU 46 -10.034 1.363 -7.872 360 3HD2 LEU 46 3HD2 LEU 46 -11.561 1.871 -8.596 361 H TRP 47 H TRP 47 -9.460 -1.963 -4.143 362 HA TRP 47 HA TRP 47 -9.689 0.271 -2.362 363 1HB TRP 47 1HB TRP 47 -10.613 -1.838 -1.660 364 2HB TRP 47 2HB TRP 47 -9.047 -2.625 -1.827 365 HD1 TRP 47 HD1 TRP 47 -10.520 0.307 0.280 366 HE1 TRP 47 HE1 TRP 47 -9.454 0.202 2.626 367 HE3 TRP 47 HE3 TRP 47 -7.371 -3.620 -0.471 368 HZ2 TRP 47 HZ2 TRP 47 -7.518 -1.363 3.970 369 HZ3 TRP 47 HZ3 TRP 47 -5.938 -4.367 1.391 370 HH2 TRP 47 HH2 TRP 47 -6.007 -3.258 3.564 371 H LYS 48 H LYS 48 -6.995 -1.763 -3.463 372 HA LYS 48 HA LYS 48 -5.059 -0.620 -1.772 373 1HB LYS 48 1HB LYS 48 -4.995 -2.190 -4.256 374 2HB LYS 48 2HB LYS 48 -3.602 -1.158 -4.008 375 1HG LYS 48 1HG LYS 48 -3.184 -3.376 -3.168 376 2HG LYS 48 2HG LYS 48 -3.236 -2.224 -1.832 377 1HD LYS 48 1HD LYS 48 -5.415 -2.911 -1.213 378 2HD LYS 48 2HD LYS 48 -5.587 -3.893 -2.674 379 1HE LYS 48 1HE LYS 48 -3.735 -4.373 -0.353 380 2HE LYS 48 2HE LYS 48 -5.115 -5.356 -0.826 381 1HZ LYS 48 1HZ LYS 48 -2.559 -5.030 -2.301 382 2HZ LYS 48 2HZ LYS 48 -3.907 -5.810 -2.957 383 3HZ LYS 48 3HZ LYS 48 -3.145 -6.441 -1.577 384 H LYS 49 H LYS 49 -6.459 0.458 -4.805 385 HA LYS 49 HA LYS 49 -4.732 2.695 -5.124 386 1HB LYS 49 1HB LYS 49 -7.385 1.881 -6.249 387 2HB LYS 49 2HB LYS 49 -6.808 3.523 -6.491 388 1HG LYS 49 1HG LYS 49 -4.849 2.663 -7.619 389 2HG LYS 49 2HG LYS 49 -5.394 1.011 -7.307 390 1HD LYS 49 1HD LYS 49 -7.602 1.974 -8.458 391 2HD LYS 49 2HD LYS 49 -6.406 3.011 -9.240 392 1HE LYS 49 1HE LYS 49 -6.190 0.031 -9.091 393 2HE LYS 49 2HE LYS 49 -6.949 0.872 -10.443 394 1HZ LYS 49 1HZ LYS 49 -4.143 1.266 -9.559 395 2HZ LYS 49 2HZ LYS 49 -4.880 1.998 -10.894 396 3HZ LYS 49 3HZ LYS 49 -4.616 0.322 -10.885 397 H GLU 50 H GLU 50 -7.868 2.148 -3.605 398 HA GLU 50 HA GLU 50 -8.430 4.850 -3.018 399 1HB GLU 50 1HB GLU 50 -9.446 2.277 -1.856 400 2HB GLU 50 2HB GLU 50 -10.024 3.836 -1.309 401 1HG GLU 50 1HG GLU 50 -10.516 4.271 -3.803 402 2HG GLU 50 2HG GLU 50 -10.377 2.520 -3.965 403 H MET 51 H MET 51 -6.869 2.294 -1.154 404 HA MET 51 HA MET 51 -6.547 3.951 1.154 405 1HB MET 51 1HB MET 51 -5.210 2.120 2.056 406 2HB MET 51 2HB MET 51 -6.710 1.519 1.366 407 1HG MET 51 1HG MET 51 -5.505 0.801 -0.630 408 2HG MET 51 2HG MET 51 -4.001 1.403 0.056 409 1HE MET 51 1HE MET 51 -5.059 0.557 3.177 410 2HE MET 51 2HE MET 51 -3.355 0.553 2.693 411 3HE MET 51 3HE MET 51 -4.082 -0.903 3.396 412 H PHE 52 H PHE 52 -4.810 3.384 -1.774 413 HA PHE 52 HA PHE 52 -2.316 4.498 -0.903 414 1HB PHE 52 1HB PHE 52 -2.430 3.000 -2.849 415 2HB PHE 52 2HB PHE 52 -3.437 4.163 -3.697 416 HD1 PHE 52 HD1 PHE 52 -2.282 5.066 -5.452 417 HD2 PHE 52 HD2 PHE 52 -0.268 4.483 -1.748 418 HE1 PHE 52 HE1 PHE 52 -0.264 6.113 -6.387 419 HE2 PHE 52 HE2 PHE 52 1.751 5.536 -2.677 420 HZ PHE 52 HZ PHE 52 1.755 6.353 -5.000 421 H GLU 53 H GLU 53 -5.217 5.721 -2.532 422 HA GLU 53 HA GLU 53 -4.339 8.386 -2.810 423 1HB GLU 53 1HB GLU 53 -7.128 7.277 -2.447 424 2HB GLU 53 2HB GLU 53 -6.756 8.910 -2.969 425 1HG GLU 53 1HG GLU 53 -5.920 6.442 -4.435 426 2HG GLU 53 2HG GLU 53 -7.362 7.368 -4.800 427 H LYS 54 H LYS 54 -5.671 6.551 -0.161 428 HA LYS 54 HA LYS 54 -6.079 8.756 1.595 429 1HB LYS 54 1HB LYS 54 -7.174 6.618 1.989 430 2HB LYS 54 2HB LYS 54 -5.610 5.835 2.193 431 1HG LYS 54 1HG LYS 54 -6.305 6.164 4.357 432 2HG LYS 54 2HG LYS 54 -5.273 7.580 4.076 433 1HD LYS 54 1HD LYS 54 -7.265 8.900 3.545 434 2HD LYS 54 2HD LYS 54 -8.282 7.489 3.837 435 1HE LYS 54 1HE LYS 54 -6.459 8.730 5.875 436 2HE LYS 54 2HE LYS 54 -8.184 9.065 5.753 437 1HZ LYS 54 1HZ LYS 54 -8.666 6.772 6.224 438 2HZ LYS 54 2HZ LYS 54 -7.647 7.379 7.437 439 3HZ LYS 54 3HZ LYS 54 -7.020 6.369 6.229 440 H TYR 55 H TYR 55 -3.426 6.563 0.914 441 HA TYR 55 HA TYR 55 -1.790 7.459 3.057 442 1HB TYR 55 1HB TYR 55 -1.503 5.264 1.965 443 2HB TYR 55 2HB TYR 55 -1.028 6.064 0.477 444 HD1 TYR 55 HD1 TYR 55 -0.026 6.165 4.084 445 HD2 TYR 55 HD2 TYR 55 1.220 6.044 0.017 446 HE1 TYR 55 HE1 TYR 55 2.321 6.090 4.814 447 HE2 TYR 55 HE2 TYR 55 3.577 5.951 0.726 448 HH TYR 55 HH TYR 55 4.493 5.337 3.933 449 H LEU 56 H LEU 56 -2.444 8.651 -0.120 450 HA LEU 56 HA LEU 56 -0.127 10.376 -0.045 451 1HB LEU 56 1HB LEU 56 -2.321 10.115 -2.094 452 2HB LEU 56 2HB LEU 56 -0.897 11.105 -2.260 453 HG LEU 56 HG LEU 56 -1.001 8.103 -2.153 454 1HD1 LEU 56 1HD1 LEU 56 -0.095 8.256 -4.411 455 2HD1 LEU 56 2HD1 LEU 56 -0.145 10.016 -4.321 456 3HD1 LEU 56 3HD1 LEU 56 -1.645 9.088 -4.288 457 1HD2 LEU 56 1HD2 LEU 56 1.423 8.150 -2.448 458 2HD2 LEU 56 2HD2 LEU 56 0.948 8.909 -0.926 459 3HD2 LEU 56 3HD2 LEU 56 1.410 9.911 -2.305 460 H SER 57 H SER 57 -3.615 10.579 0.340 461 HA SER 57 HA SER 57 -3.548 13.476 0.428 462 1HB SER 57 1HB SER 57 -5.437 12.385 -0.616 463 2HB SER 57 2HB SER 57 -5.824 11.545 0.883 464 HG SER 57 HG SER 57 -5.627 14.237 1.240 465 H ASN 58 H ASN 58 -3.699 10.784 2.651 466 HA ASN 58 HA ASN 58 -3.934 12.660 4.914 467 1HB ASN 58 1HB ASN 58 -5.603 10.717 4.615 468 2HB ASN 58 2HB ASN 58 -4.270 9.670 5.064 469 1HD2 ASN 58 1HD2 ASN 58 -4.870 12.886 6.372 470 2HD2 ASN 58 2HD2 ASN 58 -5.209 12.344 7.988 471 H ARG 59 H ARG 59 -2.436 9.557 4.067 472 HA ARG 59 HA ARG 59 -0.429 8.622 4.542 473 1HB ARG 59 1HB ARG 59 0.390 10.794 3.499 474 2HB ARG 59 2HB ARG 59 0.610 11.398 5.136 475 1HG ARG 59 1HG ARG 59 2.138 9.499 5.580 476 2HG ARG 59 2HG ARG 59 1.985 9.029 3.886 477 1HD ARG 59 1HD ARG 59 3.037 11.671 4.892 478 2HD ARG 59 2HD ARG 59 4.024 10.333 4.312 479 HE ARG 59 HE ARG 59 2.084 11.718 2.569 480 1HH1 ARG 59 1HH1 ARG 59 5.274 10.382 3.153 481 2HH1 ARG 59 2HH1 ARG 59 5.886 10.856 1.598 482 1HH2 ARG 59 1HH2 ARG 59 2.879 12.353 0.547 483 2HH2 ARG 59 2HH2 ARG 59 4.528 11.990 0.101 Start of MODEL 12 1 1H GLY 1 1H GLY 1 -8.313 -8.700 6.379 2 2H GLY 1 2H GLY 1 -9.291 -9.489 7.518 3 3H GLY 1 3H GLY 1 -8.141 -8.355 8.029 4 1HA GLY 1 1HA GLY 1 -10.540 -7.775 6.387 5 2HA GLY 1 2HA GLY 1 -10.364 -7.408 8.097 6 H ALA 2 H ALA 2 -11.014 -5.364 6.502 7 HA ALA 2 HA ALA 2 -8.653 -4.061 5.444 8 1HB ALA 2 1HB ALA 2 -10.796 -3.905 4.269 9 2HB ALA 2 2HB ALA 2 -10.184 -2.314 4.725 10 3HB ALA 2 3HB ALA 2 -11.488 -3.054 5.651 11 H MET 3 H MET 3 -9.201 -4.539 8.446 12 HA MET 3 HA MET 3 -8.789 -1.761 9.320 13 1HB MET 3 1HB MET 3 -9.474 -4.236 10.924 14 2HB MET 3 2HB MET 3 -9.182 -2.647 11.615 15 1HG MET 3 1HG MET 3 -11.103 -1.764 10.377 16 2HG MET 3 2HG MET 3 -11.402 -3.370 9.717 17 1HE MET 3 1HE MET 3 -12.081 -5.469 11.199 18 2HE MET 3 2HE MET 3 -12.354 -5.403 12.939 19 3HE MET 3 3HE MET 3 -10.724 -5.213 12.292 20 H GLU 4 H GLU 4 -7.671 -4.968 10.339 21 HA GLU 4 HA GLU 4 -5.198 -4.079 11.349 22 1HB GLU 4 1HB GLU 4 -6.244 -6.153 12.068 23 2HB GLU 4 2HB GLU 4 -6.035 -6.809 10.459 24 1HG GLU 4 1HG GLU 4 -3.531 -6.262 10.881 25 2HG GLU 4 2HG GLU 4 -4.030 -6.327 12.565 26 H ALA 5 H ALA 5 -6.018 -5.767 8.330 27 HA ALA 5 HA ALA 5 -3.409 -5.863 7.308 28 1HB ALA 5 1HB ALA 5 -5.244 -7.242 6.451 29 2HB ALA 5 2HB ALA 5 -4.427 -6.357 5.163 30 3HB ALA 5 3HB ALA 5 -5.992 -5.803 5.757 31 H GLU 6 H GLU 6 -5.829 -3.349 7.276 32 HA GLU 6 HA GLU 6 -4.726 -1.674 5.296 33 1HB GLU 6 1HB GLU 6 -6.966 -1.388 6.390 34 2HB GLU 6 2HB GLU 6 -6.138 -0.800 7.815 35 1HG GLU 6 1HG GLU 6 -5.066 0.918 6.272 36 2HG GLU 6 2HG GLU 6 -6.307 0.462 5.109 37 H LYS 7 H LYS 7 -4.455 -1.632 8.796 38 HA LYS 7 HA LYS 7 -2.633 0.436 9.079 39 1HB LYS 7 1HB LYS 7 -3.805 -1.489 10.753 40 2HB LYS 7 2HB LYS 7 -2.069 -1.510 11.060 41 1HG LYS 7 1HG LYS 7 -3.247 0.089 12.477 42 2HG LYS 7 2HG LYS 7 -2.063 0.872 11.449 43 1HD LYS 7 1HD LYS 7 -4.048 2.212 11.452 44 2HD LYS 7 2HD LYS 7 -3.925 1.426 9.878 45 1HE LYS 7 1HE LYS 7 -5.530 -0.266 10.585 46 2HE LYS 7 2HE LYS 7 -5.635 0.484 12.177 47 1HZ LYS 7 1HZ LYS 7 -6.375 2.551 10.939 48 2HZ LYS 7 2HZ LYS 7 -7.473 1.271 11.001 49 3HZ LYS 7 3HZ LYS 7 -6.593 1.553 9.581 50 H GLU 8 H GLU 8 -1.924 -3.042 8.714 51 HA GLU 8 HA GLU 8 0.888 -2.696 8.753 52 1HB GLU 8 1HB GLU 8 -0.914 -4.910 7.858 53 2HB GLU 8 2HB GLU 8 0.812 -4.981 7.519 54 1HG GLU 8 1HG GLU 8 -0.477 -4.750 10.222 55 2HG GLU 8 2HG GLU 8 0.314 -6.177 9.548 56 H PHE 9 H PHE 9 -1.496 -2.677 6.200 57 HA PHE 9 HA PHE 9 0.277 -2.629 3.991 58 1HB PHE 9 1HB PHE 9 -2.257 -2.998 4.022 59 2HB PHE 9 2HB PHE 9 -2.415 -1.252 4.130 60 HD1 PHE 9 HD1 PHE 9 -2.148 -4.037 1.974 61 HD2 PHE 9 HD2 PHE 9 -1.284 0.114 2.241 62 HE1 PHE 9 HE1 PHE 9 -2.109 -3.890 -0.479 63 HE2 PHE 9 HE2 PHE 9 -1.238 0.269 -0.212 64 HZ PHE 9 HZ PHE 9 -1.670 -1.729 -1.573 65 H ILE 10 H ILE 10 -1.106 -0.056 6.017 66 HA ILE 10 HA ILE 10 0.107 2.135 4.701 67 HB ILE 10 HB ILE 10 -0.694 1.765 7.594 68 1HG1 ILE 10 1HG1 ILE 10 -2.493 1.694 5.856 69 2HG1 ILE 10 2HG1 ILE 10 -2.666 2.982 7.037 70 1HG2 ILE 10 1HG2 ILE 10 0.110 4.311 6.187 71 2HG2 ILE 10 2HG2 ILE 10 1.011 3.491 7.470 72 3HG2 ILE 10 3HG2 ILE 10 -0.570 4.204 7.816 73 1HD1 ILE 10 1HD1 ILE 10 -3.202 3.758 4.797 74 2HD1 ILE 10 2HD1 ILE 10 -1.595 3.293 4.241 75 3HD1 ILE 10 3HD1 ILE 10 -1.778 4.586 5.426 76 H THR 11 H THR 11 1.165 -0.078 7.197 77 HA THR 11 HA THR 11 3.526 1.324 7.862 78 HB THR 11 HB THR 11 2.959 -1.617 8.281 79 HG1 THR 11 HG1 THR 11 1.365 -0.158 9.216 80 1HG2 THR 11 1HG2 THR 11 5.312 -1.037 8.609 81 2HG2 THR 11 2HG2 THR 11 4.541 -1.400 10.153 82 3HG2 THR 11 3HG2 THR 11 4.848 0.274 9.692 83 H MET 12 H MET 12 2.878 -1.284 5.588 84 HA MET 12 HA MET 12 5.642 -1.662 4.949 85 1HB MET 12 1HB MET 12 4.701 -2.961 2.977 86 2HB MET 12 2HB MET 12 4.248 -3.550 4.565 87 1HG MET 12 1HG MET 12 2.088 -2.594 4.397 88 2HG MET 12 2HG MET 12 2.528 -1.755 2.920 89 1HE MET 12 1HE MET 12 2.483 -4.408 0.211 90 2HE MET 12 2HE MET 12 3.836 -3.594 0.994 91 3HE MET 12 3HE MET 12 2.370 -2.695 0.609 92 H LEU 13 H LEU 13 2.958 0.218 3.775 93 HA LEU 13 HA LEU 13 4.186 1.061 1.397 94 1HB LEU 13 1HB LEU 13 1.792 1.773 2.936 95 2HB LEU 13 2HB LEU 13 2.469 3.097 2.004 96 HG LEU 13 HG LEU 13 0.629 1.716 0.904 97 1HD1 LEU 13 1HD1 LEU 13 3.274 2.040 -0.508 98 2HD1 LEU 13 2HD1 LEU 13 2.022 3.270 -0.338 99 3HD1 LEU 13 3HD1 LEU 13 1.711 1.821 -1.292 100 1HD2 LEU 13 1HD2 LEU 13 1.429 -0.493 1.540 101 2HD2 LEU 13 2HD2 LEU 13 2.913 -0.238 0.622 102 3HD2 LEU 13 3HD2 LEU 13 1.365 -0.340 -0.216 103 H LYS 14 H LYS 14 4.161 2.310 4.685 104 HA LYS 14 HA LYS 14 5.580 4.666 3.907 105 1HB LYS 14 1HB LYS 14 4.544 5.474 5.694 106 2HB LYS 14 2HB LYS 14 3.974 3.858 6.104 107 1HG LYS 14 1HG LYS 14 6.728 4.456 6.801 108 2HG LYS 14 2HG LYS 14 5.497 5.328 7.718 109 1HD LYS 14 1HD LYS 14 5.384 2.419 7.182 110 2HD LYS 14 2HD LYS 14 6.250 3.043 8.594 111 1HE LYS 14 1HE LYS 14 3.326 3.421 7.936 112 2HE LYS 14 2HE LYS 14 3.975 2.371 9.190 113 1HZ LYS 14 1HZ LYS 14 4.895 4.381 10.268 114 2HZ LYS 14 2HZ LYS 14 3.200 4.380 10.180 115 3HZ LYS 14 3HZ LYS 14 4.099 5.339 9.111 116 H GLU 15 H GLU 15 6.356 1.516 5.141 117 HA GLU 15 HA GLU 15 9.046 2.054 5.818 118 1HB GLU 15 1HB GLU 15 7.387 -0.336 5.298 119 2HB GLU 15 2HB GLU 15 9.117 -0.526 5.276 120 1HG GLU 15 1HG GLU 15 9.136 0.503 7.546 121 2HG GLU 15 2HG GLU 15 7.383 0.397 7.534 122 H ASN 16 H ASN 16 7.351 1.185 2.877 123 HA ASN 16 HA ASN 16 9.745 0.708 1.339 124 1HB ASN 16 1HB ASN 16 6.823 0.901 0.627 125 2HB ASN 16 2HB ASN 16 8.072 0.724 -0.600 126 1HD2 ASN 16 1HD2 ASN 16 8.542 -0.785 2.473 127 2HD2 ASN 16 2HD2 ASN 16 8.232 -2.406 1.964 128 H GLN 17 H GLN 17 8.813 3.403 2.644 129 HA GLN 17 HA GLN 17 9.087 5.605 2.301 130 1HB GLN 17 1HB GLN 17 11.139 4.301 0.619 131 2HB GLN 17 2HB GLN 17 10.937 6.046 0.467 132 1HG GLN 17 1HG GLN 17 11.400 6.375 2.772 133 2HG GLN 17 2HG GLN 17 11.320 4.647 3.094 134 1HE2 GLN 17 1HE2 GLN 17 12.843 3.958 0.693 135 2HE2 GLN 17 2HE2 GLN 17 14.485 4.383 1.037 136 H VAL 18 H VAL 18 6.971 4.343 0.838 137 HA VAL 18 HA VAL 18 6.813 5.466 -1.792 138 HB VAL 18 HB VAL 18 4.609 4.365 -0.031 139 1HG1 VAL 18 1HG1 VAL 18 3.380 4.007 -2.104 140 2HG1 VAL 18 2HG1 VAL 18 4.702 4.749 -3.020 141 3HG1 VAL 18 3HG1 VAL 18 3.762 5.720 -1.876 142 1HG2 VAL 18 1HG2 VAL 18 6.320 2.696 -0.337 143 2HG2 VAL 18 2HG2 VAL 18 6.333 2.985 -2.078 144 3HG2 VAL 18 3HG2 VAL 18 4.910 2.277 -1.312 145 H ASP 19 H ASP 19 5.561 7.226 -2.474 146 HA ASP 19 HA ASP 19 3.735 8.561 -0.785 147 1HB ASP 19 1HB ASP 19 6.029 9.413 0.034 148 2HB ASP 19 2HB ASP 19 6.071 10.301 -1.478 149 H SER 20 H SER 20 4.134 11.145 -2.186 150 HA SER 20 HA SER 20 2.237 10.670 -4.174 151 1HB SER 20 1HB SER 20 4.028 13.048 -3.966 152 2HB SER 20 2HB SER 20 2.432 12.998 -4.694 153 HG SER 20 HG SER 20 3.140 12.763 -1.960 154 H THR 21 H THR 21 5.708 10.646 -4.360 155 HA THR 21 HA THR 21 5.784 10.949 -7.234 156 HB THR 21 HB THR 21 8.241 10.509 -6.914 157 HG1 THR 21 HG1 THR 21 8.624 9.508 -5.068 158 1HG2 THR 21 1HG2 THR 21 7.002 12.700 -5.244 159 2HG2 THR 21 2HG2 THR 21 7.343 12.779 -6.974 160 3HG2 THR 21 3HG2 THR 21 8.671 12.664 -5.816 161 H TRP 22 H TRP 22 4.254 8.756 -6.276 162 HA TRP 22 HA TRP 22 5.667 6.508 -7.545 163 1HB TRP 22 1HB TRP 22 4.249 6.602 -4.924 164 2HB TRP 22 2HB TRP 22 4.163 5.134 -5.868 165 HD1 TRP 22 HD1 TRP 22 7.139 7.419 -4.721 166 HE1 TRP 22 HE1 TRP 22 8.957 5.844 -3.759 167 HE3 TRP 22 HE3 TRP 22 4.802 2.974 -5.442 168 HZ2 TRP 22 HZ2 TRP 22 9.276 3.024 -3.364 169 HZ3 TRP 22 HZ3 TRP 22 5.864 0.915 -4.741 170 HH2 TRP 22 HH2 TRP 22 8.047 0.932 -3.730 171 H SER 23 H SER 23 4.355 5.215 -8.831 172 HA SER 23 HA SER 23 1.492 5.886 -8.946 173 1HB SER 23 1HB SER 23 3.187 4.584 -11.074 174 2HB SER 23 2HB SER 23 1.499 5.054 -11.237 175 HG SER 23 HG SER 23 3.136 7.095 -10.415 176 H PHE 24 H PHE 24 0.204 3.770 -9.725 177 HA PHE 24 HA PHE 24 0.707 1.979 -7.486 178 1HB PHE 24 1HB PHE 24 -1.502 2.978 -8.224 179 2HB PHE 24 2HB PHE 24 -1.454 1.887 -9.593 180 HD1 PHE 24 HD1 PHE 24 -2.370 -0.229 -9.432 181 HD2 PHE 24 HD2 PHE 24 -1.450 1.931 -5.886 182 HE1 PHE 24 HE1 PHE 24 -3.539 -1.931 -8.099 183 HE2 PHE 24 HE2 PHE 24 -2.605 0.227 -4.546 184 HZ PHE 24 HZ PHE 24 -3.660 -1.695 -5.652 185 H SER 25 H SER 25 2.152 2.099 -10.221 186 HA SER 25 HA SER 25 2.082 -0.717 -10.946 187 1HB SER 25 1HB SER 25 3.845 1.495 -12.040 188 2HB SER 25 2HB SER 25 3.585 -0.098 -12.751 189 HG SER 25 HG SER 25 2.261 2.046 -13.308 190 H ARG 26 H ARG 26 4.211 1.748 -9.648 191 HA ARG 26 HA ARG 26 6.444 0.183 -9.057 192 1HB ARG 26 1HB ARG 26 5.830 2.808 -8.792 193 2HB ARG 26 2HB ARG 26 5.695 2.283 -7.123 194 1HG ARG 26 1HG ARG 26 7.939 1.528 -7.105 195 2HG ARG 26 2HG ARG 26 8.084 1.779 -8.841 196 1HD ARG 26 1HD ARG 26 7.457 4.223 -8.300 197 2HD ARG 26 2HD ARG 26 7.916 3.795 -6.660 198 HE ARG 26 HE ARG 26 9.853 3.115 -8.696 199 1HH1 ARG 26 1HH1 ARG 26 8.830 5.465 -6.317 200 2HH1 ARG 26 2HH1 ARG 26 10.363 6.269 -6.262 201 1HH2 ARG 26 1HH2 ARG 26 11.890 4.157 -8.609 202 2HH2 ARG 26 2HH2 ARG 26 12.109 5.502 -7.528 203 H ILE 27 H ILE 27 3.445 0.762 -7.352 204 HA ILE 27 HA ILE 27 4.108 -0.533 -4.931 205 HB ILE 27 HB ILE 27 1.436 -0.080 -6.285 206 1HG1 ILE 27 1HG1 ILE 27 2.832 1.304 -3.989 207 2HG1 ILE 27 2HG1 ILE 27 2.648 1.938 -5.621 208 1HG2 ILE 27 1HG2 ILE 27 1.942 -1.026 -3.466 209 2HG2 ILE 27 2HG2 ILE 27 1.289 -2.007 -4.775 210 3HG2 ILE 27 3HG2 ILE 27 0.373 -0.629 -4.168 211 1HD1 ILE 27 1HD1 ILE 27 0.226 1.969 -5.323 212 2HD1 ILE 27 2HD1 ILE 27 1.056 2.953 -4.121 213 3HD1 ILE 27 3HD1 ILE 27 0.426 1.366 -3.679 214 H ILE 28 H ILE 28 2.145 -1.781 -7.726 215 HA ILE 28 HA ILE 28 2.019 -4.396 -6.631 216 HB ILE 28 HB ILE 28 1.782 -3.565 -9.535 217 1HG1 ILE 28 1HG1 ILE 28 -0.337 -3.982 -7.412 218 2HG1 ILE 28 2HG1 ILE 28 0.189 -2.423 -8.038 219 1HG2 ILE 28 1HG2 ILE 28 0.542 -5.660 -9.824 220 2HG2 ILE 28 2HG2 ILE 28 0.881 -6.093 -8.150 221 3HG2 ILE 28 3HG2 ILE 28 2.201 -5.957 -9.310 222 1HD1 ILE 28 1HD1 ILE 28 -1.916 -3.109 -9.028 223 2HD1 ILE 28 2HD1 ILE 28 -1.167 -4.591 -9.621 224 3HD1 ILE 28 3HD1 ILE 28 -0.645 -3.028 -10.247 225 H SER 29 H SER 29 4.358 -2.933 -8.884 226 HA SER 29 HA SER 29 5.620 -5.433 -9.425 227 1HB SER 29 1HB SER 29 6.545 -2.688 -10.035 228 2HB SER 29 2HB SER 29 7.187 -4.155 -10.739 229 HG SER 29 HG SER 29 4.904 -4.514 -11.426 230 H GLU 30 H GLU 30 6.369 -2.724 -7.248 231 HA GLU 30 HA GLU 30 8.856 -4.077 -6.494 232 1HB GLU 30 1HB GLU 30 7.783 -1.318 -6.022 233 2HB GLU 30 2HB GLU 30 9.078 -1.949 -5.017 234 1HG GLU 30 1HG GLU 30 9.172 -1.695 -8.013 235 2HG GLU 30 2HG GLU 30 9.892 -0.570 -6.863 236 H LEU 31 H LEU 31 5.721 -3.199 -5.111 237 HA LEU 31 HA LEU 31 6.672 -3.740 -2.421 238 1HB LEU 31 1HB LEU 31 4.047 -2.803 -3.539 239 2HB LEU 31 2HB LEU 31 4.170 -3.345 -1.877 240 HG LEU 31 HG LEU 31 5.630 -1.565 -1.310 241 1HD1 LEU 31 1HD1 LEU 31 5.819 -0.993 -4.235 242 2HD1 LEU 31 2HD1 LEU 31 7.101 -1.558 -3.167 243 3HD1 LEU 31 3HD1 LEU 31 6.434 0.061 -2.962 244 1HD2 LEU 31 1HD2 LEU 31 4.327 0.402 -1.831 245 2HD2 LEU 31 2HD2 LEU 31 3.275 -0.964 -1.464 246 3HD2 LEU 31 3HD2 LEU 31 3.521 -0.464 -3.138 247 H GLY 32 H GLY 32 4.834 -5.304 -4.909 248 1HA GLY 32 1HA GLY 32 3.754 -7.396 -3.359 249 2HA GLY 32 2HA GLY 32 4.073 -7.460 -5.090 250 H THR 33 H THR 33 6.960 -6.726 -4.443 251 HA THR 33 HA THR 33 7.841 -9.433 -3.720 252 HB THR 33 HB THR 33 9.976 -8.781 -4.848 253 HG1 THR 33 HG1 THR 33 9.938 -6.598 -5.056 254 1HG2 THR 33 1HG2 THR 33 7.467 -8.783 -6.523 255 2HG2 THR 33 2HG2 THR 33 8.338 -10.208 -5.945 256 3HG2 THR 33 3HG2 THR 33 9.095 -9.122 -7.117 257 H ARG 34 H ARG 34 8.327 -6.006 -3.021 258 HA ARG 34 HA ARG 34 10.527 -6.205 -1.315 259 1HB ARG 34 1HB ARG 34 8.238 -4.270 -1.452 260 2HB ARG 34 2HB ARG 34 9.403 -4.161 -0.154 261 1HG ARG 34 1HG ARG 34 11.186 -3.972 -1.873 262 2HG ARG 34 2HG ARG 34 9.897 -3.793 -3.074 263 1HD ARG 34 1HD ARG 34 8.983 -1.918 -1.779 264 2HD ARG 34 2HD ARG 34 10.298 -2.076 -0.623 265 HE ARG 34 HE ARG 34 10.712 -1.356 -3.440 266 1HH1 ARG 34 1HH1 ARG 34 11.415 -0.982 -0.036 267 2HH1 ARG 34 2HH1 ARG 34 12.523 0.340 -0.277 268 1HH2 ARG 34 1HH2 ARG 34 12.192 0.366 -3.782 269 2HH2 ARG 34 2HH2 ARG 34 12.977 1.091 -2.406 270 H ASP 35 H ASP 35 7.049 -6.393 -0.537 271 HA ASP 35 HA ASP 35 7.774 -7.651 2.006 272 1HB ASP 35 1HB ASP 35 7.418 -5.095 2.156 273 2HB ASP 35 2HB ASP 35 5.713 -5.464 1.938 274 HA PRO 36 HA PRO 36 4.510 -10.345 0.690 275 1HB PRO 36 1HB PRO 36 4.627 -11.395 3.432 276 2HB PRO 36 2HB PRO 36 4.983 -12.202 1.902 277 1HG PRO 36 1HG PRO 36 6.922 -11.555 3.642 278 2HG PRO 36 2HG PRO 36 7.175 -11.499 1.887 279 1HD PRO 36 1HD PRO 36 6.623 -9.252 3.792 280 2HD PRO 36 2HD PRO 36 7.772 -9.325 2.440 281 H ARG 37 H ARG 37 4.257 -8.014 3.173 282 HA ARG 37 HA ARG 37 1.745 -8.640 4.247 283 1HB ARG 37 1HB ARG 37 3.352 -6.154 4.031 284 2HB ARG 37 2HB ARG 37 1.683 -6.062 4.573 285 1HG ARG 37 1HG ARG 37 2.133 -7.619 6.352 286 2HG ARG 37 2HG ARG 37 3.795 -7.783 5.795 287 1HD ARG 37 1HD ARG 37 2.634 -5.139 6.517 288 2HD ARG 37 2HD ARG 37 3.336 -6.201 7.731 289 HE ARG 37 HE ARG 37 5.120 -5.856 5.560 290 1HH1 ARG 37 1HH1 ARG 37 3.869 -4.229 8.412 291 2HH1 ARG 37 2HH1 ARG 37 5.265 -3.201 8.574 292 1HH2 ARG 37 1HH2 ARG 37 6.950 -4.549 5.802 293 2HH2 ARG 37 2HH2 ARG 37 7.010 -3.363 7.089 294 H TYR 38 H TYR 38 2.606 -7.352 1.140 295 HA TYR 38 HA TYR 38 0.131 -6.115 0.536 296 1HB TYR 38 1HB TYR 38 2.247 -5.799 -0.763 297 2HB TYR 38 2HB TYR 38 2.070 -7.437 -1.382 298 HD1 TYR 38 HD1 TYR 38 0.606 -4.051 -1.401 299 HD2 TYR 38 HD2 TYR 38 0.555 -7.918 -3.175 300 HE1 TYR 38 HE1 TYR 38 -0.802 -3.188 -3.224 301 HE2 TYR 38 HE2 TYR 38 -0.851 -7.067 -5.002 302 HH TYR 38 HH TYR 38 -1.308 -3.824 -5.634 303 H TRP 39 H TRP 39 1.089 -9.346 0.911 304 HA TRP 39 HA TRP 39 -1.032 -10.398 -0.792 305 1HB TRP 39 1HB TRP 39 1.186 -11.862 0.643 306 2HB TRP 39 2HB TRP 39 0.083 -12.546 -0.548 307 HD1 TRP 39 HD1 TRP 39 3.468 -11.281 -0.353 308 HE1 TRP 39 HE1 TRP 39 4.344 -10.550 -2.663 309 HE3 TRP 39 HE3 TRP 39 -0.975 -11.098 -2.886 310 HZ2 TRP 39 HZ2 TRP 39 3.282 -9.968 -5.218 311 HZ3 TRP 39 HZ3 TRP 39 -0.959 -10.434 -5.254 312 HH2 TRP 39 HH2 TRP 39 1.129 -9.882 -6.396 313 H MET 40 H MET 40 -0.358 -9.826 2.537 314 HA MET 40 HA MET 40 -1.856 -11.827 3.791 315 1HB MET 40 1HB MET 40 -1.653 -8.915 4.584 316 2HB MET 40 2HB MET 40 -2.262 -10.198 5.613 317 1HG MET 40 1HG MET 40 -0.008 -11.286 5.406 318 2HG MET 40 2HG MET 40 0.542 -9.805 4.620 319 1HE MET 40 1HE MET 40 0.106 -7.355 5.834 320 2HE MET 40 2HE MET 40 -0.328 -7.205 7.538 321 3HE MET 40 3HE MET 40 -1.506 -7.820 6.379 322 H VAL 41 H VAL 41 -2.878 -8.648 2.655 323 HA VAL 41 HA VAL 41 -5.653 -9.572 2.586 324 HB VAL 41 HB VAL 41 -5.392 -7.411 3.635 325 1HG1 VAL 41 1HG1 VAL 41 -4.464 -5.474 2.482 326 2HG1 VAL 41 2HG1 VAL 41 -4.037 -6.491 1.108 327 3HG1 VAL 41 3HG1 VAL 41 -3.261 -6.747 2.669 328 1HG2 VAL 41 1HG2 VAL 41 -6.825 -6.017 2.183 329 2HG2 VAL 41 2HG2 VAL 41 -7.393 -7.682 2.320 330 3HG2 VAL 41 3HG2 VAL 41 -6.547 -7.157 0.864 331 H ASP 42 H ASP 42 -6.505 -10.247 0.708 332 HA ASP 42 HA ASP 42 -4.897 -10.682 -1.496 333 1HB ASP 42 1HB ASP 42 -6.995 -11.319 -2.612 334 2HB ASP 42 2HB ASP 42 -6.753 -12.097 -1.082 335 H ASP 43 H ASP 43 -5.009 -9.907 -3.573 336 HA ASP 43 HA ASP 43 -4.739 -7.098 -3.455 337 1HB ASP 43 1HB ASP 43 -3.993 -7.316 -5.799 338 2HB ASP 43 2HB ASP 43 -3.150 -8.395 -4.709 339 H ASP 44 H ASP 44 -6.682 -6.199 -3.098 340 HA ASP 44 HA ASP 44 -8.543 -6.168 -5.354 341 1HB ASP 44 1HB ASP 44 -9.420 -6.347 -2.973 342 2HB ASP 44 2HB ASP 44 -8.809 -4.710 -2.696 343 HA PRO 45 HA PRO 45 -5.733 -2.862 -6.470 344 1HB PRO 45 1HB PRO 45 -7.462 -2.679 -8.837 345 2HB PRO 45 2HB PRO 45 -5.733 -2.949 -8.732 346 1HG PRO 45 1HG PRO 45 -7.394 -4.917 -9.427 347 2HG PRO 45 2HG PRO 45 -5.947 -5.213 -8.441 348 1HD PRO 45 1HD PRO 45 -8.801 -5.005 -7.598 349 2HD PRO 45 2HD PRO 45 -7.534 -6.114 -7.042 350 H LEU 46 H LEU 46 -9.247 -2.700 -6.494 351 HA LEU 46 HA LEU 46 -9.338 0.140 -6.804 352 1HB LEU 46 1HB LEU 46 -11.160 -1.558 -7.365 353 2HB LEU 46 2HB LEU 46 -11.494 -1.606 -5.651 354 HG LEU 46 HG LEU 46 -12.989 -0.129 -7.086 355 1HD1 LEU 46 1HD1 LEU 46 -11.585 1.119 -4.732 356 2HD1 LEU 46 2HD1 LEU 46 -12.962 0.020 -4.661 357 3HD1 LEU 46 3HD1 LEU 46 -13.144 1.616 -5.390 358 1HD2 LEU 46 1HD2 LEU 46 -10.530 1.611 -7.041 359 2HD2 LEU 46 2HD2 LEU 46 -12.138 2.124 -7.552 360 3HD2 LEU 46 3HD2 LEU 46 -11.275 0.883 -8.463 361 H TRP 47 H TRP 47 -9.490 -2.098 -4.037 362 HA TRP 47 HA TRP 47 -9.722 0.057 -2.144 363 1HB TRP 47 1HB TRP 47 -10.593 -2.149 -1.552 364 2HB TRP 47 2HB TRP 47 -8.973 -2.833 -1.683 365 HD1 TRP 47 HD1 TRP 47 -10.672 -0.002 0.340 366 HE1 TRP 47 HE1 TRP 47 -9.679 0.003 2.715 367 HE3 TRP 47 HE3 TRP 47 -7.272 -3.727 -0.239 368 HZ2 TRP 47 HZ2 TRP 47 -7.693 -1.407 4.152 369 HZ3 TRP 47 HZ3 TRP 47 -5.850 -4.348 1.674 370 HH2 TRP 47 HH2 TRP 47 -6.054 -3.208 3.824 371 H LYS 48 H LYS 48 -7.095 -1.916 -3.413 372 HA LYS 48 HA LYS 48 -5.103 -0.924 -1.691 373 1HB LYS 48 1HB LYS 48 -5.139 -2.359 -4.280 374 2HB LYS 48 2HB LYS 48 -3.677 -1.446 -3.932 375 1HG LYS 48 1HG LYS 48 -3.510 -3.793 -3.240 376 2HG LYS 48 2HG LYS 48 -3.350 -2.681 -1.879 377 1HD LYS 48 1HD LYS 48 -5.722 -3.048 -1.345 378 2HD LYS 48 2HD LYS 48 -5.818 -4.229 -2.649 379 1HE LYS 48 1HE LYS 48 -4.074 -4.427 -0.188 380 2HE LYS 48 2HE LYS 48 -5.545 -5.336 -0.501 381 1HZ LYS 48 1HZ LYS 48 -3.596 -6.671 -0.960 382 2HZ LYS 48 2HZ LYS 48 -3.033 -5.525 -2.073 383 3HZ LYS 48 3HZ LYS 48 -4.450 -6.386 -2.393 384 H LYS 49 H LYS 49 -6.542 0.378 -4.632 385 HA LYS 49 HA LYS 49 -4.698 2.565 -4.804 386 1HB LYS 49 1HB LYS 49 -7.345 1.951 -6.095 387 2HB LYS 49 2HB LYS 49 -6.572 3.513 -6.302 388 1HG LYS 49 1HG LYS 49 -4.612 2.399 -7.258 389 2HG LYS 49 2HG LYS 49 -5.434 0.844 -7.077 390 1HD LYS 49 1HD LYS 49 -7.309 2.357 -8.379 391 2HD LYS 49 2HD LYS 49 -5.798 2.940 -9.082 392 1HE LYS 49 1HE LYS 49 -5.168 0.647 -9.626 393 2HE LYS 49 2HE LYS 49 -6.661 0.062 -8.891 394 1HZ LYS 49 1HZ LYS 49 -7.904 1.342 -10.556 395 2HZ LYS 49 2HZ LYS 49 -6.899 0.179 -11.270 396 3HZ LYS 49 3HZ LYS 49 -6.445 1.808 -11.284 397 H GLU 50 H GLU 50 -7.944 2.061 -3.480 398 HA GLU 50 HA GLU 50 -8.510 4.716 -2.764 399 1HB GLU 50 1HB GLU 50 -9.457 2.073 -1.720 400 2HB GLU 50 2HB GLU 50 -9.975 3.563 -0.961 401 1HG GLU 50 1HG GLU 50 -10.712 4.261 -3.317 402 2HG GLU 50 2HG GLU 50 -10.551 2.550 -3.713 403 H MET 51 H MET 51 -7.005 2.097 -0.971 404 HA MET 51 HA MET 51 -6.690 3.615 1.399 405 1HB MET 51 1HB MET 51 -6.032 1.664 2.324 406 2HB MET 51 2HB MET 51 -6.645 0.969 0.833 407 1HG MET 51 1HG MET 51 -4.589 -0.052 1.130 408 2HG MET 51 2HG MET 51 -4.240 1.218 -0.027 409 1HE MET 51 1HE MET 51 -4.867 1.354 3.801 410 2HE MET 51 2HE MET 51 -3.206 1.253 4.419 411 3HE MET 51 3HE MET 51 -3.905 -0.103 3.510 412 H PHE 52 H PHE 52 -4.738 3.016 -1.452 413 HA PHE 52 HA PHE 52 -2.291 4.009 -0.411 414 1HB PHE 52 1HB PHE 52 -2.190 2.569 -2.308 415 2HB PHE 52 2HB PHE 52 -3.285 3.593 -3.226 416 HD1 PHE 52 HD1 PHE 52 -0.093 4.140 -1.356 417 HD2 PHE 52 HD2 PHE 52 -2.270 4.634 -4.980 418 HE1 PHE 52 HE1 PHE 52 1.833 5.298 -2.352 419 HE2 PHE 52 HE2 PHE 52 -0.346 5.794 -5.980 420 HZ PHE 52 HZ PHE 52 1.708 6.128 -4.667 421 H GLU 53 H GLU 53 -4.941 5.514 -2.221 422 HA GLU 53 HA GLU 53 -3.604 8.011 -2.459 423 1HB GLU 53 1HB GLU 53 -5.736 8.909 -3.189 424 2HB GLU 53 2HB GLU 53 -5.394 7.386 -3.973 425 1HG GLU 53 1HG GLU 53 -6.805 6.300 -2.273 426 2HG GLU 53 2HG GLU 53 -7.299 7.905 -1.770 427 H LYS 54 H LYS 54 -5.496 6.477 -0.036 428 HA LYS 54 HA LYS 54 -5.794 8.770 1.609 429 1HB LYS 54 1HB LYS 54 -7.254 6.993 2.086 430 2HB LYS 54 2HB LYS 54 -5.911 5.881 2.230 431 1HG LYS 54 1HG LYS 54 -5.813 8.144 4.069 432 2HG LYS 54 2HG LYS 54 -7.157 7.031 4.339 433 1HD LYS 54 1HD LYS 54 -4.290 6.206 4.040 434 2HD LYS 54 2HD LYS 54 -5.046 6.529 5.607 435 1HE LYS 54 1HE LYS 54 -6.193 4.619 3.633 436 2HE LYS 54 2HE LYS 54 -4.989 4.097 4.812 437 1HZ LYS 54 1HZ LYS 54 -7.152 3.637 5.692 438 2HZ LYS 54 2HZ LYS 54 -7.698 5.205 5.346 439 3HZ LYS 54 3HZ LYS 54 -6.532 4.964 6.555 440 H TYR 55 H TYR 55 -3.318 6.310 1.290 441 HA TYR 55 HA TYR 55 -1.735 7.231 3.458 442 1HB TYR 55 1HB TYR 55 -1.330 5.043 2.549 443 2HB TYR 55 2HB TYR 55 -1.037 5.686 0.947 444 HD1 TYR 55 HD1 TYR 55 1.072 6.681 0.369 445 HD2 TYR 55 HD2 TYR 55 0.437 5.154 4.294 446 HE1 TYR 55 HE1 TYR 55 3.483 6.786 0.792 447 HE2 TYR 55 HE2 TYR 55 2.887 5.245 4.735 448 HH TYR 55 HH TYR 55 5.059 6.776 2.417 449 H LEU 56 H LEU 56 -2.260 8.422 0.264 450 HA LEU 56 HA LEU 56 0.070 10.151 0.396 451 1HB LEU 56 1HB LEU 56 -2.047 9.849 -1.722 452 2HB LEU 56 2HB LEU 56 -0.633 10.855 -1.850 453 HG LEU 56 HG LEU 56 -0.703 7.856 -1.711 454 1HD1 LEU 56 1HD1 LEU 56 0.295 8.008 -3.939 455 2HD1 LEU 56 2HD1 LEU 56 0.183 9.768 -3.868 456 3HD1 LEU 56 3HD1 LEU 56 -1.284 8.788 -3.883 457 1HD2 LEU 56 1HD2 LEU 56 1.688 9.685 -1.840 458 2HD2 LEU 56 2HD2 LEU 56 1.711 7.917 -1.877 459 3HD2 LEU 56 3HD2 LEU 56 1.180 8.764 -0.421 460 H SER 57 H SER 57 -3.445 10.400 0.554 461 HA SER 57 HA SER 57 -3.326 13.293 0.634 462 1HB SER 57 1HB SER 57 -5.139 12.268 -0.583 463 2HB SER 57 2HB SER 57 -5.662 11.390 0.852 464 HG SER 57 HG SER 57 -6.887 13.082 1.144 465 H ASN 58 H ASN 58 -4.538 10.727 2.760 466 HA ASN 58 HA ASN 58 -4.740 12.494 5.010 467 1HB ASN 58 1HB ASN 58 -5.128 9.551 4.584 468 2HB ASN 58 2HB ASN 58 -5.062 10.200 6.214 469 1HD2 ASN 58 1HD2 ASN 58 -6.337 12.735 5.389 470 2HD2 ASN 58 2HD2 ASN 58 -8.012 12.349 5.173 471 H ARG 59 H ARG 59 -2.716 9.704 4.184 472 HA ARG 59 HA ARG 59 -0.561 9.170 4.696 473 1HB ARG 59 1HB ARG 59 -0.459 12.078 5.498 474 2HB ARG 59 2HB ARG 59 0.927 11.015 5.680 475 1HG ARG 59 1HG ARG 59 0.914 10.590 3.273 476 2HG ARG 59 2HG ARG 59 -0.472 11.665 3.093 477 1HD ARG 59 1HD ARG 59 0.793 13.561 3.690 478 2HD ARG 59 2HD ARG 59 2.111 12.579 4.327 479 HE ARG 59 HE ARG 59 2.540 11.907 1.972 480 1HH1 ARG 59 1HH1 ARG 59 0.803 14.886 2.631 481 2HH1 ARG 59 2HH1 ARG 59 1.296 15.647 1.145 482 1HH2 ARG 59 1HH2 ARG 59 3.226 12.925 0.047 483 2HH2 ARG 59 2HH2 ARG 59 2.664 14.529 -0.322
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