NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619802 | 5tgw | 30185 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 1HT SER 1 11.814 -1.063 17.608 2 H2 SER 1 2HT SER 1 12.222 -2.415 18.544 3 H3 SER 1 3HT SER 1 11.739 -2.613 16.941 4 HA SER 1 HA SER 1 14.157 -1.198 17.825 5 HB2 SER 1 2HB SER 1 13.888 -3.917 16.531 6 HB3 SER 1 1HB SER 1 15.388 -3.142 17.044 7 HG SER 1 HG SER 1 14.765 -4.554 18.653 8 H GLU 2 H GLU 2 14.827 0.231 16.379 9 HA GLU 2 HA GLU 2 15.250 1.315 14.431 10 HB2 GLU 2 2HB GLU 2 14.714 -1.383 13.181 11 HB3 GLU 2 1HB GLU 2 15.461 -0.016 12.366 12 HG2 GLU 2 2HG GLU 2 17.394 -0.147 13.696 13 HG3 GLU 2 1HG GLU 2 16.616 -1.223 14.855 14 H PHE 3 H PHE 3 12.706 1.545 15.501 15 HA PHE 3 HA PHE 3 10.631 1.067 13.649 16 HB2 PHE 3 2HB PHE 3 9.210 2.303 15.082 17 HB3 PHE 3 1HB PHE 3 10.376 1.526 16.141 18 HD1 PHE 3 1HD PHE 3 8.811 4.563 15.248 19 HD2 PHE 3 2HD PHE 3 12.404 2.978 16.870 20 HE1 PHE 3 1HE PHE 3 9.323 6.751 16.243 21 HE2 PHE 3 2HE PHE 3 12.921 5.160 17.869 22 HZ PHE 3 HZ PHE 3 11.378 7.050 17.556 23 H GLU 4 H GLU 4 13.074 3.451 13.760 24 HA GLU 4 HA GLU 4 11.868 5.641 12.519 25 HB2 GLU 4 2HB GLU 4 14.085 5.843 13.425 26 HB3 GLU 4 1HB GLU 4 14.697 4.591 12.355 27 HG2 GLU 4 2HG GLU 4 14.174 6.102 10.428 28 HG3 GLU 4 1HG GLU 4 13.797 7.362 11.599 29 H LYS 5 H LYS 5 13.389 2.778 11.116 30 HA LYS 5 HA LYS 5 13.112 3.670 8.432 31 HB2 LYS 5 2HB LYS 5 13.498 0.846 9.431 32 HB3 LYS 5 1HB LYS 5 13.789 1.425 7.797 33 HG2 LYS 5 2HG LYS 5 15.338 2.066 10.291 34 HG3 LYS 5 1HG LYS 5 15.900 1.245 8.834 35 HD2 LYS 5 2HD LYS 5 15.519 3.348 7.568 36 HD3 LYS 5 1HD LYS 5 15.099 4.144 9.084 37 HE2 LYS 5 2HE LYS 5 17.350 3.495 9.949 38 HE3 LYS 5 1HE LYS 5 17.751 2.932 8.329 39 HZ1 LYS 5 1HZ LYS 5 17.117 5.690 9.186 40 HZ2 LYS 5 2HZ LYS 5 17.198 5.227 7.557 41 HZ3 LYS 5 3HZ LYS 5 18.572 5.116 8.537 42 H LEU 6 H LEU 6 11.188 1.654 10.559 43 HA LEU 6 HA LEU 6 9.372 0.783 8.561 44 HB2 LEU 6 2HB LEU 6 9.734 -0.339 10.757 45 HB3 LEU 6 1HB LEU 6 8.920 1.000 11.538 46 HG LEU 6 HG LEU 6 6.860 0.439 10.253 47 HD11 LEU 6 1HD1 LEU 6 6.725 -1.764 9.182 48 HD12 LEU 6 2HD1 LEU 6 8.458 -1.979 9.427 49 HD13 LEU 6 3HD1 LEU 6 7.869 -0.699 8.367 50 HD21 LEU 6 1HD2 LEU 6 7.151 -0.339 12.539 51 HD22 LEU 6 2HD2 LEU 6 8.004 -1.769 11.960 52 HD23 LEU 6 3HD2 LEU 6 6.298 -1.545 11.576 53 H ARG 7 H ARG 7 9.289 3.418 10.943 54 HA ARG 7 HA ARG 7 6.689 4.324 10.269 55 HB2 ARG 7 2HB ARG 7 8.960 5.865 11.534 56 HB3 ARG 7 1HB ARG 7 7.280 6.372 11.495 57 HG2 ARG 7 2HG ARG 7 8.363 3.938 12.898 58 HG3 ARG 7 1HG ARG 7 7.879 5.455 13.657 59 HD2 ARG 7 2HD ARG 7 5.590 5.112 12.930 60 HD3 ARG 7 1HD ARG 7 6.057 3.638 12.086 61 HE ARG 7 HE ARG 7 6.628 2.706 14.288 62 HH11 ARG 7 1HH1 ARG 7 4.446 5.470 14.178 63 HH12 ARG 7 2HH1 ARG 7 3.656 5.055 15.665 64 HH21 ARG 7 1HH2 ARG 7 5.597 2.196 16.272 65 HH22 ARG 7 2HH2 ARG 7 4.326 3.215 16.859 66 H GLN 8 H GLN 8 9.927 5.343 9.216 67 HA GLN 8 HA GLN 8 9.080 7.531 7.676 68 HB2 GLN 8 2HB GLN 8 11.412 7.255 8.264 69 HB3 GLN 8 1HB GLN 8 11.502 5.759 7.341 70 HG2 GLN 8 2HG GLN 8 10.955 7.084 5.299 71 HG3 GLN 8 1HG GLN 8 11.112 8.540 6.277 72 HE21 GLN 8 1HE2 GLN 8 12.600 7.586 3.963 73 HE22 GLN 8 2HE2 GLN 8 14.265 7.590 4.443 74 H THR 9 H THR 9 9.639 4.145 6.767 75 HA THR 9 HA THR 9 9.082 4.524 4.034 76 HB THR 9 HB THR 9 8.793 1.970 5.633 77 HG1 THR 9 1HG THR 9 10.878 2.471 5.905 78 HG21 THR 9 1HG2 THR 9 7.790 1.859 3.388 79 HG22 THR 9 2HG2 THR 9 9.250 0.873 3.478 80 HG23 THR 9 3HG2 THR 9 9.297 2.447 2.685 81 H GLY 10 H GLY 10 7.043 3.636 6.793 82 HA2 GLY 10 2HA GLY 10 4.677 3.130 5.352 83 HA3 GLY 10 1HA GLY 10 4.761 3.638 7.035 84 H ASP 11 H ASP 11 5.951 6.102 6.799 85 HA ASP 11 HA ASP 11 3.787 7.767 6.093 86 HB2 ASP 11 2HB ASP 11 5.365 8.464 7.785 87 HB3 ASP 11 1HB ASP 11 6.687 8.423 6.626 88 H GLU 12 H GLU 12 6.852 7.042 4.456 89 HA GLU 12 HA GLU 12 6.522 8.778 2.279 90 HB2 GLU 12 2HB GLU 12 8.008 6.160 2.505 91 HB3 GLU 12 1HB GLU 12 8.060 7.165 1.066 92 HG2 GLU 12 2HG GLU 12 8.989 9.004 2.418 93 HG3 GLU 12 1HG GLU 12 8.994 7.936 3.822 94 H LEU 13 H LEU 13 5.371 5.494 2.838 95 HA LEU 13 HA LEU 13 4.318 5.023 0.275 96 HB2 LEU 13 2HB LEU 13 3.593 3.975 2.999 97 HB3 LEU 13 1HB LEU 13 2.721 3.479 1.565 98 HG LEU 13 HG LEU 13 5.689 3.087 1.949 99 HD11 LEU 13 1HD1 LEU 13 3.421 1.132 2.319 100 HD12 LEU 13 2HD1 LEU 13 4.436 1.797 3.599 101 HD13 LEU 13 3HD1 LEU 13 5.140 0.742 2.374 102 HD21 LEU 13 1HD2 LEU 13 5.416 1.516 0.073 103 HD22 LEU 13 2HD2 LEU 13 5.013 3.171 -0.380 104 HD23 LEU 13 3HD2 LEU 13 3.728 2.003 -0.072 105 H VAL 14 H VAL 14 2.815 6.347 3.214 106 HA VAL 14 HA VAL 14 0.251 6.730 2.159 107 HB VAL 14 HB VAL 14 1.638 8.369 4.299 108 HG11 VAL 14 1HG1 VAL 14 -0.628 8.940 5.055 109 HG12 VAL 14 2HG1 VAL 14 -1.302 8.080 3.671 110 HG13 VAL 14 3HG1 VAL 14 -0.322 9.524 3.419 111 HG21 VAL 14 1HG2 VAL 14 0.474 6.897 5.877 112 HG22 VAL 14 2HG2 VAL 14 1.574 5.991 4.838 113 HG23 VAL 14 3HG2 VAL 14 -0.161 5.956 4.528 114 H GLN 15 H GLN 15 3.048 8.905 2.235 115 HA GLN 15 HA GLN 15 1.793 11.115 1.037 116 HB2 GLN 15 2HB GLN 15 4.689 10.263 0.987 117 HB3 GLN 15 1HB GLN 15 4.107 11.819 0.415 118 HG2 GLN 15 2HG GLN 15 3.962 10.765 3.227 119 HG3 GLN 15 1HG GLN 15 5.013 12.048 2.628 120 HE21 GLN 15 1HE2 GLN 15 4.110 14.044 2.098 121 HE22 GLN 15 2HE2 GLN 15 2.567 14.532 2.696 122 H ALA 16 H ALA 16 3.544 8.382 -0.355 123 HA ALA 16 HA ALA 16 3.432 9.312 -3.022 124 HB1 ALA 16 1HB ALA 16 5.043 7.633 -2.265 125 HB2 ALA 16 2HB ALA 16 4.105 7.065 -3.646 126 HB3 ALA 16 3HB ALA 16 3.727 6.485 -2.023 127 H PHE 17 H PHE 17 1.292 7.259 -1.095 128 HA PHE 17 HA PHE 17 -0.392 6.513 -3.231 129 HB2 PHE 17 2HB PHE 17 -0.835 6.572 -0.254 130 HB3 PHE 17 1HB PHE 17 -2.094 6.061 -1.375 131 HD1 PHE 17 1HD PHE 17 0.051 4.741 0.823 132 HD2 PHE 17 2HD PHE 17 -0.808 4.464 -3.330 133 HE1 PHE 17 1HE PHE 17 1.014 2.480 0.777 134 HE2 PHE 17 2HE PHE 17 0.150 2.206 -3.382 135 HZ PHE 17 HZ PHE 17 1.066 1.210 -1.323 136 H GLN 18 H GLN 18 -0.486 9.270 -1.016 137 HA GLN 18 HA GLN 18 -2.943 10.330 -1.893 138 HB2 GLN 18 2HB GLN 18 -0.459 11.714 -0.853 139 HB3 GLN 18 1HB GLN 18 -1.993 12.524 -1.122 140 HG2 GLN 18 2HG GLN 18 -1.520 10.252 0.790 141 HG3 GLN 18 1HG GLN 18 -1.659 11.955 1.223 142 HE21 GLN 18 1HE2 GLN 18 -3.663 12.957 1.118 143 HE22 GLN 18 2HE2 GLN 18 -5.137 12.057 1.045 144 H ARG 19 H ARG 19 0.369 10.766 -3.052 145 HA ARG 19 HA ARG 19 -0.252 12.571 -5.136 146 HB2 ARG 19 2HB ARG 19 2.065 10.810 -4.482 147 HB3 ARG 19 1HB ARG 19 1.948 11.421 -6.123 148 HG2 ARG 19 2HG ARG 19 3.382 12.806 -4.673 149 HG3 ARG 19 1HG ARG 19 2.016 13.699 -5.336 150 HD2 ARG 19 2HD ARG 19 0.837 13.539 -3.241 151 HD3 ARG 19 1HD ARG 19 2.081 12.483 -2.577 152 HE ARG 19 HE ARG 19 3.595 14.362 -2.596 153 HH11 ARG 19 1HH1 ARG 19 0.204 15.180 -3.140 154 HH12 ARG 19 2HH1 ARG 19 0.394 16.797 -2.553 155 HH21 ARG 19 1HH2 ARG 19 3.809 16.511 -1.830 156 HH22 ARG 19 2HH2 ARG 19 2.431 17.557 -1.814 157 H LEU 20 H LEU 20 -0.208 9.077 -4.919 158 HA LEU 20 HA LEU 20 -0.556 8.438 -7.626 159 HB2 LEU 20 2HB LEU 20 -0.026 6.845 -5.763 160 HB3 LEU 20 1HB LEU 20 -1.686 6.987 -5.226 161 HG LEU 20 HG LEU 20 -2.366 6.087 -7.498 162 HD11 LEU 20 1HD1 LEU 20 -0.695 4.831 -8.735 163 HD12 LEU 20 2HD1 LEU 20 0.556 5.365 -7.614 164 HD13 LEU 20 3HD1 LEU 20 -0.256 6.537 -8.651 165 HD21 LEU 20 1HD2 LEU 20 -0.724 4.326 -5.680 166 HD22 LEU 20 2HD2 LEU 20 -1.917 3.768 -6.854 167 HD23 LEU 20 3HD2 LEU 20 -2.427 4.735 -5.470 168 H ARG 21 H ARG 21 -2.889 9.124 -5.049 169 HA ARG 21 HA ARG 21 -5.217 8.775 -6.607 170 HB2 ARG 21 2HB ARG 21 -4.701 10.320 -4.077 171 HB3 ARG 21 1HB ARG 21 -6.293 10.226 -4.801 172 HG2 ARG 21 2HG ARG 21 -5.807 7.634 -4.703 173 HG3 ARG 21 1HG ARG 21 -4.704 8.132 -3.420 174 HD2 ARG 21 2HD ARG 21 -6.858 7.562 -2.478 175 HD3 ARG 21 1HD ARG 21 -6.570 9.295 -2.308 176 HE ARG 21 HE ARG 21 -7.961 9.344 -4.515 177 HH11 ARG 21 1HH1 ARG 21 -8.604 7.346 -1.675 178 HH12 ARG 21 2HH1 ARG 21 -10.299 7.224 -2.011 179 HH21 ARG 21 1HH2 ARG 21 -10.211 9.157 -4.918 180 HH22 ARG 21 2HH2 ARG 21 -11.201 8.238 -3.836 181 H GLU 22 H GLU 22 -3.197 11.578 -5.929 182 HA GLU 22 HA GLU 22 -4.783 13.523 -7.197 183 HB2 GLU 22 2HB GLU 22 -1.792 13.414 -6.777 184 HB3 GLU 22 1HB GLU 22 -2.675 14.845 -7.292 185 HG2 GLU 22 2HG GLU 22 -3.870 14.928 -5.212 186 HG3 GLU 22 1HG GLU 22 -3.177 13.391 -4.705 187 H ILE 23 H ILE 23 -2.193 11.443 -8.418 188 HA ILE 23 HA ILE 23 -2.143 12.479 -11.052 189 HB ILE 23 HB ILE 23 -1.330 9.762 -9.988 190 HG12 ILE 23 2HG1 ILE 23 0.323 12.173 -10.772 191 HG13 ILE 23 1HG1 ILE 23 -0.073 11.714 -9.120 192 HG21 ILE 23 1HG2 ILE 23 -1.836 9.612 -12.378 193 HG22 ILE 23 2HG2 ILE 23 -0.107 9.445 -12.075 194 HG23 ILE 23 3HG2 ILE 23 -0.751 10.967 -12.693 195 HD11 ILE 23 1HD1 ILE 23 1.558 10.096 -11.062 196 HD12 ILE 23 2HD1 ILE 23 1.164 9.634 -9.406 197 HD13 ILE 23 3HD1 ILE 23 2.180 11.044 -9.711 198 H PHE 24 H PHE 24 -3.979 9.908 -9.507 199 HA PHE 24 HA PHE 24 -5.217 8.816 -11.765 200 HB2 PHE 24 2HB PHE 24 -5.409 7.625 -9.713 201 HB3 PHE 24 1HB PHE 24 -6.093 9.018 -8.883 202 HD1 PHE 24 1HD PHE 24 -6.800 6.587 -11.604 203 HD2 PHE 24 2HD PHE 24 -8.396 9.257 -8.700 204 HE1 PHE 24 1HE PHE 24 -9.068 5.777 -12.100 205 HE2 PHE 24 2HE PHE 24 -10.663 8.443 -9.194 206 HZ PHE 24 HZ PHE 24 -10.999 6.702 -10.894 207 H ASP 25 H ASP 25 -6.062 11.589 -9.770 208 HA ASP 25 HA ASP 25 -8.586 12.133 -10.889 209 HB2 ASP 25 2HB ASP 25 -7.881 13.156 -8.797 210 HB3 ASP 25 1HB ASP 25 -6.581 14.011 -9.619 211 H LYS 26 H LYS 26 -5.364 12.802 -12.009 212 HA LYS 26 HA LYS 26 -6.187 14.713 -14.006 213 HB2 LYS 26 2HB LYS 26 -3.578 13.217 -13.696 214 HB3 LYS 26 1HB LYS 26 -3.867 14.547 -14.806 215 HG2 LYS 26 2HG LYS 26 -4.281 16.029 -12.890 216 HG3 LYS 26 1HG LYS 26 -3.931 14.686 -11.799 217 HD2 LYS 26 2HD LYS 26 -1.971 16.112 -12.045 218 HD3 LYS 26 1HD LYS 26 -1.666 14.523 -12.747 219 HE2 LYS 26 2HE LYS 26 -2.074 15.398 -14.975 220 HE3 LYS 26 1HE LYS 26 -2.490 16.973 -14.305 221 HZ1 LYS 26 1HZ LYS 26 -0.229 17.179 -13.491 222 HZ2 LYS 26 2HZ LYS 26 -0.243 16.932 -15.162 223 HZ3 LYS 26 3HZ LYS 26 0.167 15.662 -14.124 224 H GLY 27 H GLY 27 -6.115 11.321 -13.738 225 HA2 GLY 27 2HA GLY 27 -6.838 9.714 -15.241 226 HA3 GLY 27 1HA GLY 27 -7.059 10.986 -16.436 227 H ASP 28 H ASP 28 -4.014 10.828 -14.880 228 HA ASP 28 HA ASP 28 -2.787 10.087 -17.408 229 HB2 ASP 28 2HB ASP 28 -2.027 12.077 -16.013 230 HB3 ASP 28 1HB ASP 28 -1.336 10.901 -14.898 231 H ASP 29 H ASP 29 -3.022 7.941 -17.599 232 HA ASP 29 HA ASP 29 -2.628 6.100 -15.480 233 HB2 ASP 29 2HB ASP 29 -2.832 4.362 -17.198 234 HB3 ASP 29 1HB ASP 29 -4.096 5.576 -17.359 235 H ASP 30 H ASP 30 -0.453 7.563 -17.775 236 HA ASP 30 HA ASP 30 1.577 5.574 -17.652 237 HB2 ASP 30 2HB ASP 30 1.603 7.177 -19.460 238 HB3 ASP 30 1HB ASP 30 1.768 8.513 -18.324 239 H SER 31 H SER 31 1.223 8.688 -15.950 240 HA SER 31 HA SER 31 3.498 8.290 -14.310 241 HB2 SER 31 2HB SER 31 1.058 9.978 -13.709 242 HB3 SER 31 1HB SER 31 2.667 10.160 -13.007 243 HG SER 31 HG SER 31 1.823 10.628 -15.666 244 H LEU 32 H LEU 32 0.126 7.426 -14.050 245 HA LEU 32 HA LEU 32 0.047 6.656 -11.351 246 HB2 LEU 32 2HB LEU 32 -1.880 6.955 -12.988 247 HB3 LEU 32 1HB LEU 32 -1.471 5.377 -13.625 248 HG LEU 32 HG LEU 32 -1.860 4.485 -11.270 249 HD11 LEU 32 1HD1 LEU 32 -3.189 7.172 -10.967 250 HD12 LEU 32 2HD1 LEU 32 -1.752 6.625 -10.105 251 HD13 LEU 32 3HD1 LEU 32 -3.299 5.825 -9.835 252 HD21 LEU 32 1HD2 LEU 32 -3.420 4.142 -13.120 253 HD22 LEU 32 2HD2 LEU 32 -4.184 5.693 -12.767 254 HD23 LEU 32 3HD2 LEU 32 -4.273 4.377 -11.595 255 H GLU 33 H GLU 33 0.743 4.835 -14.315 256 HA GLU 33 HA GLU 33 1.174 2.334 -13.121 257 HB2 GLU 33 2HB GLU 33 0.692 2.728 -15.524 258 HB3 GLU 33 1HB GLU 33 2.291 3.431 -15.707 259 HG2 GLU 33 2HG GLU 33 2.208 1.149 -16.513 260 HG3 GLU 33 1HG GLU 33 3.310 1.319 -15.149 261 H GLN 34 H GLN 34 3.376 4.993 -13.925 262 HA GLN 34 HA GLN 34 5.766 3.649 -13.289 263 HB2 GLN 34 2HB GLN 34 5.718 5.734 -14.582 264 HB3 GLN 34 1HB GLN 34 5.169 6.611 -13.162 265 HG2 GLN 34 2HG GLN 34 7.553 6.944 -13.577 266 HG3 GLN 34 1HG GLN 34 7.262 6.152 -12.030 267 HE21 GLN 34 1HE2 GLN 34 9.333 5.299 -11.964 268 HE22 GLN 34 2HE2 GLN 34 9.836 3.998 -12.985 269 H VAL 35 H VAL 35 3.640 5.706 -11.316 270 HA VAL 35 HA VAL 35 5.223 5.600 -8.984 271 HB VAL 35 HB VAL 35 2.230 6.041 -9.228 272 HG11 VAL 35 1HG1 VAL 35 4.075 6.569 -6.893 273 HG12 VAL 35 2HG1 VAL 35 2.821 5.331 -6.963 274 HG13 VAL 35 3HG1 VAL 35 2.377 7.038 -6.987 275 HG21 VAL 35 1HG2 VAL 35 2.824 8.412 -8.962 276 HG22 VAL 35 2HG2 VAL 35 3.543 7.708 -10.409 277 HG23 VAL 35 3HG2 VAL 35 4.532 7.975 -8.973 278 H LEU 36 H LEU 36 2.763 3.423 -10.260 279 HA LEU 36 HA LEU 36 2.415 1.815 -7.985 280 HB2 LEU 36 2HB LEU 36 2.323 1.040 -10.901 281 HB3 LEU 36 1HB LEU 36 1.789 0.011 -9.590 282 HG LEU 36 HG LEU 36 0.565 2.654 -10.378 283 HD11 LEU 36 1HD1 LEU 36 -0.459 -0.167 -10.644 284 HD12 LEU 36 2HD1 LEU 36 0.108 0.857 -11.962 285 HD13 LEU 36 3HD1 LEU 36 -1.342 1.300 -11.062 286 HD21 LEU 36 1HD2 LEU 36 -0.233 0.682 -8.235 287 HD22 LEU 36 2HD2 LEU 36 -1.173 2.087 -8.737 288 HD23 LEU 36 3HD2 LEU 36 0.401 2.308 -7.976 289 H GLU 37 H GLU 37 4.882 1.808 -10.482 290 HA GLU 37 HA GLU 37 6.180 -0.575 -9.634 291 HB2 GLU 37 2HB GLU 37 6.486 0.433 -11.875 292 HB3 GLU 37 1HB GLU 37 7.319 1.791 -11.133 293 HG2 GLU 37 2HG GLU 37 9.055 0.268 -10.321 294 HG3 GLU 37 1HG GLU 37 8.225 -1.077 -11.103 295 H GLU 38 H GLU 38 6.618 2.858 -8.941 296 HA GLU 38 HA GLU 38 8.883 2.637 -7.289 297 HB2 GLU 38 2HB GLU 38 6.646 4.670 -7.271 298 HB3 GLU 38 1HB GLU 38 8.150 4.851 -6.385 299 HG2 GLU 38 2HG GLU 38 9.397 4.864 -8.474 300 HG3 GLU 38 1HG GLU 38 7.900 4.630 -9.377 301 H ILE 39 H ILE 39 5.434 2.643 -6.561 302 HA ILE 39 HA ILE 39 5.595 2.349 -3.784 303 HB ILE 39 HB ILE 39 3.489 1.364 -5.724 304 HG12 ILE 39 2HG1 ILE 39 3.783 3.806 -5.662 305 HG13 ILE 39 1HG1 ILE 39 2.219 3.325 -5.013 306 HG21 ILE 39 1HG2 ILE 39 1.989 1.155 -3.807 307 HG22 ILE 39 2HG2 ILE 39 3.322 1.554 -2.723 308 HG23 ILE 39 3HG2 ILE 39 3.373 0.070 -3.673 309 HD11 ILE 39 1HD1 ILE 39 3.163 5.078 -3.673 310 HD12 ILE 39 2HD1 ILE 39 4.644 4.153 -3.438 311 HD13 ILE 39 3HD1 ILE 39 3.128 3.583 -2.738 312 H GLU 40 H GLU 40 5.704 0.009 -6.399 313 HA GLU 40 HA GLU 40 5.463 -2.339 -4.888 314 HB2 GLU 40 2HB GLU 40 5.254 -2.256 -7.331 315 HB3 GLU 40 1HB GLU 40 6.964 -1.881 -7.470 316 HG2 GLU 40 2HG GLU 40 7.593 -4.031 -6.755 317 HG3 GLU 40 1HG GLU 40 5.961 -4.405 -6.198 318 H GLU 41 H GLU 41 8.307 -0.470 -5.836 319 HA GLU 41 HA GLU 41 10.244 -2.143 -4.686 320 HB2 GLU 41 2HB GLU 41 10.122 0.677 -5.599 321 HB3 GLU 41 1HB GLU 41 11.436 0.241 -4.522 322 HG2 GLU 41 2HG GLU 41 10.816 -1.205 -7.080 323 HG3 GLU 41 1HG GLU 41 11.991 0.105 -6.938 324 H LEU 42 H LEU 42 8.399 0.566 -3.379 325 HA LEU 42 HA LEU 42 9.666 0.644 -0.845 326 HB2 LEU 42 2HB LEU 42 6.912 1.541 -1.684 327 HB3 LEU 42 1HB LEU 42 7.652 1.915 -0.141 328 HG LEU 42 HG LEU 42 8.780 2.774 -2.797 329 HD11 LEU 42 1HD1 LEU 42 7.899 4.994 -2.257 330 HD12 LEU 42 2HD1 LEU 42 7.117 4.334 -0.821 331 HD13 LEU 42 3HD1 LEU 42 6.602 3.812 -2.424 332 HD21 LEU 42 1HD2 LEU 42 10.112 4.308 -1.422 333 HD22 LEU 42 2HD2 LEU 42 10.429 2.625 -1.005 334 HD23 LEU 42 3HD2 LEU 42 9.403 3.612 0.034 335 H ILE 43 H ILE 43 6.819 -1.016 -2.077 336 HA ILE 43 HA ILE 43 5.822 -2.049 0.330 337 HB ILE 43 HB ILE 43 5.671 -3.174 -2.474 338 HG12 ILE 43 2HG1 ILE 43 3.595 -1.761 -0.790 339 HG13 ILE 43 1HG1 ILE 43 4.543 -1.005 -2.067 340 HG21 ILE 43 1HG2 ILE 43 3.860 -4.631 -1.675 341 HG22 ILE 43 2HG2 ILE 43 4.176 -4.104 -0.022 342 HG23 ILE 43 3HG2 ILE 43 5.402 -5.012 -0.907 343 HD11 ILE 43 1HD1 ILE 43 2.293 -1.595 -2.812 344 HD12 ILE 43 2HD1 ILE 43 2.618 -3.289 -2.442 345 HD13 ILE 43 3HD1 ILE 43 3.529 -2.473 -3.712 346 H GLN 44 H GLN 44 8.200 -3.381 -1.922 347 HA GLN 44 HA GLN 44 8.505 -5.872 -0.665 348 HB2 GLN 44 2HB GLN 44 10.466 -4.279 -2.312 349 HB3 GLN 44 1HB GLN 44 10.686 -5.962 -1.856 350 HG2 GLN 44 2HG GLN 44 8.751 -6.611 -3.125 351 HG3 GLN 44 1HG GLN 44 8.378 -4.925 -3.481 352 HE21 GLN 44 1HE2 GLN 44 8.479 -5.261 -5.680 353 HE22 GLN 44 2HE2 GLN 44 9.969 -5.508 -6.518 354 H LYS 45 H LYS 45 10.248 -2.824 -0.212 355 HA LYS 45 HA LYS 45 12.054 -3.893 1.706 356 HB2 LYS 45 2HB LYS 45 11.288 -1.027 1.138 357 HB3 LYS 45 1HB LYS 45 12.641 -1.533 2.144 358 HG2 LYS 45 2HG LYS 45 13.690 -2.610 0.245 359 HG3 LYS 45 1HG LYS 45 12.315 -2.190 -0.775 360 HD2 LYS 45 2HD LYS 45 12.798 0.199 -0.380 361 HD3 LYS 45 1HD LYS 45 14.215 -0.268 0.564 362 HE2 LYS 45 2HE LYS 45 14.819 0.329 -1.738 363 HE3 LYS 45 1HE LYS 45 15.181 -1.358 -1.383 364 HZ1 LYS 45 1HZ LYS 45 14.132 -1.075 -3.567 365 HZ2 LYS 45 2HZ LYS 45 12.771 -0.400 -2.827 366 HZ3 LYS 45 3HZ LYS 45 13.174 -2.013 -2.537 367 H HIS 46 H HIS 46 8.994 -2.133 1.948 368 HA HIS 46 HA HIS 46 8.977 -1.898 4.765 369 HB2 HIS 46 2HB HIS 46 7.485 -0.626 3.190 370 HB3 HIS 46 1HB HIS 46 6.577 -2.109 2.926 371 HD1 HIS 46 1HD HIS 46 4.676 -2.541 4.548 372 HD2 HIS 46 2HD HIS 46 7.356 0.314 5.932 373 HE1 HIS 46 1HE HIS 46 3.669 -1.588 6.660 374 H ARG 47 H ARG 47 7.743 -4.352 2.542 375 HA ARG 47 HA ARG 47 6.537 -6.006 4.465 376 HB2 ARG 47 2HB ARG 47 5.969 -6.354 2.169 377 HB3 ARG 47 1HB ARG 47 7.651 -6.597 1.721 378 HG2 ARG 47 2HG ARG 47 6.477 -8.710 1.723 379 HG3 ARG 47 1HG ARG 47 7.681 -8.689 3.012 380 HD2 ARG 47 2HD ARG 47 5.740 -7.925 4.523 381 HD3 ARG 47 1HD ARG 47 4.692 -8.480 3.217 382 HE ARG 47 HE ARG 47 6.666 -10.390 4.125 383 HH11 ARG 47 1HH1 ARG 47 3.364 -9.252 4.401 384 HH12 ARG 47 2HH1 ARG 47 2.781 -10.690 5.163 385 HH21 ARG 47 1HH2 ARG 47 5.929 -12.294 5.166 386 HH22 ARG 47 2HH2 ARG 47 4.257 -12.452 5.575 387 H GLN 48 H GLN 48 9.843 -5.775 3.289 388 HA GLN 48 HA GLN 48 10.800 -8.164 4.404 389 HB2 GLN 48 2HB GLN 48 12.019 -6.816 2.723 390 HB3 GLN 48 1HB GLN 48 12.305 -5.583 3.941 391 HG2 GLN 48 2HG GLN 48 13.666 -7.085 5.219 392 HG3 GLN 48 1HG GLN 48 13.276 -8.420 4.138 393 HE21 GLN 48 1HE2 GLN 48 15.399 -8.798 3.603 394 HE22 GLN 48 2HE2 GLN 48 16.318 -7.731 2.603 395 H LEU 49 H LEU 49 10.596 -4.882 5.710 396 HA LEU 49 HA LEU 49 11.813 -5.479 8.198 397 HB2 LEU 49 2HB LEU 49 9.849 -3.306 7.464 398 HB3 LEU 49 1HB LEU 49 10.758 -3.367 8.960 399 HG LEU 49 HG LEU 49 11.954 -3.078 6.202 400 HD11 LEU 49 1HD1 LEU 49 12.479 -0.799 6.910 401 HD12 LEU 49 2HD1 LEU 49 11.611 -1.069 8.421 402 HD13 LEU 49 3HD1 LEU 49 10.739 -1.087 6.888 403 HD21 LEU 49 1HD2 LEU 49 13.232 -2.999 8.936 404 HD22 LEU 49 2HD2 LEU 49 14.040 -2.614 7.417 405 HD23 LEU 49 3HD2 LEU 49 13.456 -4.251 7.713 406 H PHE 50 H PHE 50 8.460 -5.418 7.096 407 HA PHE 50 HA PHE 50 7.297 -5.965 9.622 408 HB2 PHE 50 2HB PHE 50 6.032 -4.953 7.771 409 HB3 PHE 50 1HB PHE 50 6.179 -6.445 6.851 410 HD1 PHE 50 1HD PHE 50 4.769 -5.012 9.964 411 HD2 PHE 50 2HD PHE 50 4.613 -8.166 7.110 412 HE1 PHE 50 1HE PHE 50 2.688 -5.831 10.989 413 HE2 PHE 50 2HE PHE 50 2.533 -8.992 8.131 414 HZ PHE 50 HZ PHE 50 1.568 -7.824 10.073 415 H ASP 51 H ASP 51 8.315 -8.030 6.946 416 HA ASP 51 HA ASP 51 7.250 -10.455 7.981 417 HB2 ASP 51 2HB ASP 51 7.882 -10.082 5.591 418 HB3 ASP 51 1HB ASP 51 9.574 -10.101 6.071 419 H ASN 52 H ASN 52 10.127 -8.662 8.583 420 HA ASN 52 HA ASN 52 11.524 -10.826 9.870 421 HB2 ASN 52 2HB ASN 52 12.654 -8.907 8.683 422 HB3 ASN 52 1HB ASN 52 12.117 -7.856 9.984 423 HD21 ASN 52 1HD2 ASN 52 14.801 -8.612 9.029 424 HD22 ASN 52 2HD2 ASN 52 15.636 -9.215 10.415 425 H ARG 53 H ARG 53 9.743 -7.929 10.887 426 HA ARG 53 HA ARG 53 10.180 -8.369 13.682 427 HB2 ARG 53 2HB ARG 53 9.847 -6.113 12.985 428 HB3 ARG 53 1HB ARG 53 8.333 -6.512 12.185 429 HG2 ARG 53 2HG ARG 53 7.372 -7.066 14.417 430 HG3 ARG 53 1HG ARG 53 8.863 -6.484 15.151 431 HD2 ARG 53 2HD ARG 53 8.473 -4.268 14.370 432 HD3 ARG 53 1HD ARG 53 7.142 -4.801 13.341 433 HE ARG 53 HE ARG 53 6.520 -5.503 15.977 434 HH11 ARG 53 1HH1 ARG 53 6.974 -2.547 14.126 435 HH12 ARG 53 2HH1 ARG 53 5.802 -1.659 15.037 436 HH21 ARG 53 1HH2 ARG 53 5.014 -4.333 17.177 437 HH22 ARG 53 2HH2 ARG 53 4.697 -2.668 16.797 438 H GLN 54 H GLN 54 7.684 -9.294 11.419 439 HA GLN 54 HA GLN 54 5.340 -9.571 12.440 440 HB2 GLN 54 2HB GLN 54 5.029 -11.854 11.542 441 HB3 GLN 54 1HB GLN 54 5.840 -10.759 10.437 442 HG2 GLN 54 2HG GLN 54 7.971 -11.781 10.923 443 HG3 GLN 54 1HG GLN 54 7.229 -12.810 12.148 444 HE21 GLN 54 1HE2 GLN 54 5.663 -12.069 9.135 445 HE22 GLN 54 2HE2 GLN 54 5.803 -13.646 8.444 446 H GLU 55 H GLU 55 5.082 -9.373 14.584 447 HA GLU 55 HA GLU 55 5.909 -11.540 16.329 448 HB2 GLU 55 2HB GLU 55 4.983 -10.038 18.132 449 HB3 GLU 55 1HB GLU 55 6.337 -9.381 17.225 450 HG2 GLU 55 2HG GLU 55 4.660 -8.133 15.828 451 HG3 GLU 55 1HG GLU 55 3.430 -8.652 16.979 452 H ALA 56 H ALA 56 3.220 -10.552 14.551 453 HA ALA 56 HA ALA 56 1.249 -11.907 16.182 454 HB1 ALA 56 1HB ALA 56 0.632 -9.878 14.939 455 HB2 ALA 56 2HB ALA 56 -0.323 -11.264 14.414 456 HB3 ALA 56 3HB ALA 56 1.017 -10.691 13.423 457 H ALA 57 H ALA 57 -0.299 -13.341 14.578 458 HA ALA 57 HA ALA 57 1.068 -15.744 14.200 459 HB1 ALA 57 1HB ALA 57 -1.532 -14.881 12.932 460 HB2 ALA 57 2HB ALA 57 -1.359 -15.607 14.529 461 HB3 ALA 57 3HB ALA 57 -0.953 -16.539 13.088 462 H ASP 58 H ASP 58 2.281 -16.516 12.612 463 HA ASP 58 HA ASP 58 3.185 -14.875 10.521 464 HB2 ASP 58 2HB ASP 58 4.497 -16.732 9.779 465 HB3 ASP 58 1HB ASP 58 4.447 -16.813 11.535 466 H THR 59 H THR 59 0.733 -17.403 10.599 467 HA THR 59 HA THR 59 0.267 -17.618 7.848 468 HB THR 59 HB THR 59 -1.812 -17.876 10.033 469 HG1 THR 59 1HG THR 59 0.165 -19.701 9.089 470 HG21 THR 59 1HG2 THR 59 -2.704 -17.929 7.743 471 HG22 THR 59 2HG2 THR 59 -2.828 -19.512 8.508 472 HG23 THR 59 3HG2 THR 59 -1.558 -19.202 7.324 473 H GLU 60 H GLU 60 -1.064 -15.437 10.286 474 HA GLU 60 HA GLU 60 -2.887 -14.153 8.533 475 HB2 GLU 60 2HB GLU 60 -3.269 -14.132 10.922 476 HB3 GLU 60 1HB GLU 60 -1.741 -13.310 11.195 477 HG2 GLU 60 2HG GLU 60 -2.544 -11.312 10.203 478 HG3 GLU 60 1HG GLU 60 -3.992 -12.121 9.606 479 H ALA 61 H ALA 61 0.386 -13.444 9.646 480 HA ALA 61 HA ALA 61 0.644 -10.920 8.428 481 HB1 ALA 61 1HB ALA 61 2.800 -12.949 9.019 482 HB2 ALA 61 2HB ALA 61 2.188 -11.740 10.147 483 HB3 ALA 61 3HB ALA 61 3.052 -11.234 8.696 484 H ALA 62 H ALA 62 1.290 -14.187 7.247 485 HA ALA 62 HA ALA 62 2.349 -13.361 4.741 486 HB1 ALA 62 1HB ALA 62 2.827 -15.563 5.683 487 HB2 ALA 62 2HB ALA 62 2.077 -15.706 4.092 488 HB3 ALA 62 3HB ALA 62 1.123 -15.997 5.547 489 H LYS 63 H LYS 63 -0.869 -14.377 5.846 490 HA LYS 63 HA LYS 63 -2.071 -14.298 3.293 491 HB2 LYS 63 2HB LYS 63 -2.963 -15.439 5.391 492 HB3 LYS 63 1HB LYS 63 -3.515 -13.851 5.902 493 HG2 LYS 63 2HG LYS 63 -5.347 -15.013 4.896 494 HG3 LYS 63 1HG LYS 63 -4.857 -13.702 3.820 495 HD2 LYS 63 2HD LYS 63 -3.580 -15.307 2.462 496 HD3 LYS 63 1HD LYS 63 -4.093 -16.611 3.534 497 HE2 LYS 63 2HE LYS 63 -5.478 -16.627 1.569 498 HE3 LYS 63 1HE LYS 63 -6.445 -16.100 2.943 499 HZ1 LYS 63 1HZ LYS 63 -6.187 -13.820 2.215 500 HZ2 LYS 63 2HZ LYS 63 -6.856 -14.751 0.980 501 HZ3 LYS 63 3HZ LYS 63 -5.224 -14.305 0.905 502 H GLN 64 H GLN 64 -1.537 -11.868 5.768 503 HA GLN 64 HA GLN 64 -3.187 -9.850 4.695 504 HB2 GLN 64 2HB GLN 64 -2.212 -9.724 6.955 505 HB3 GLN 64 1HB GLN 64 -0.609 -9.560 6.251 506 HG2 GLN 64 2HG GLN 64 -1.327 -7.456 5.186 507 HG3 GLN 64 1HG GLN 64 -2.887 -7.611 5.990 508 HE21 GLN 64 1HE2 GLN 64 -2.611 -5.699 7.113 509 HE22 GLN 64 2HE2 GLN 64 -1.504 -5.562 8.433 510 H GLY 65 H GLY 65 0.189 -10.734 4.136 511 HA2 GLY 65 2HA GLY 65 0.782 -8.674 2.294 512 HA3 GLY 65 1HA GLY 65 1.620 -10.220 2.409 513 H ASP 66 H ASP 66 -0.576 -11.889 1.965 514 HA ASP 66 HA ASP 66 -0.692 -12.043 -0.830 515 HB2 ASP 66 2HB ASP 66 -1.080 -14.032 0.406 516 HB3 ASP 66 1HB ASP 66 -2.348 -13.280 1.366 517 H GLN 67 H GLN 67 -2.973 -10.735 1.531 518 HA GLN 67 HA GLN 67 -5.023 -10.026 -0.290 519 HB2 GLN 67 2HB GLN 67 -4.281 -9.019 2.451 520 HB3 GLN 67 1HB GLN 67 -5.669 -8.403 1.570 521 HG2 GLN 67 2HG GLN 67 -6.738 -10.520 1.613 522 HG3 GLN 67 1HG GLN 67 -5.281 -11.308 2.218 523 HE21 GLN 67 1HE2 GLN 67 -8.045 -11.068 3.282 524 HE22 GLN 67 2HE2 GLN 67 -7.846 -10.482 4.895 525 H TRP 68 H TRP 68 -2.249 -8.287 1.014 526 HA TRP 68 HA TRP 68 -2.822 -5.772 -0.032 527 HB2 TRP 68 2HB TRP 68 -1.227 -6.269 1.782 528 HB3 TRP 68 1HB TRP 68 -0.170 -7.057 0.621 529 HD1 TRP 68 HD TRP 68 1.563 -5.624 -0.465 530 HE1 TRP 68 1HE TRP 68 2.091 -3.090 -0.542 531 HE3 TRP 68 3HE TRP 68 -2.646 -3.873 1.790 532 HZ2 TRP 68 2HZ TRP 68 0.858 -0.677 0.264 533 HZ3 TRP 68 3HZ TRP 68 -2.908 -1.447 2.100 534 HH2 TRP 68 HH TRP 68 -1.193 0.114 1.351 535 H VAL 69 H VAL 69 -0.924 -8.487 -1.300 536 HA VAL 69 HA VAL 69 -0.064 -7.231 -3.671 537 HB VAL 69 HB VAL 69 -0.493 -10.174 -3.081 538 HG11 VAL 69 1HG1 VAL 69 -0.554 -9.798 -5.494 539 HG12 VAL 69 2HG1 VAL 69 0.933 -10.623 -5.025 540 HG13 VAL 69 3HG1 VAL 69 0.962 -8.901 -5.401 541 HG21 VAL 69 1HG2 VAL 69 2.004 -8.481 -3.115 542 HG22 VAL 69 2HG2 VAL 69 1.941 -10.218 -2.815 543 HG23 VAL 69 3HG2 VAL 69 1.188 -9.099 -1.680 544 H GLN 70 H GLN 70 -2.968 -9.114 -2.915 545 HA GLN 70 HA GLN 70 -3.976 -9.304 -5.541 546 HB2 GLN 70 2HB GLN 70 -5.394 -9.358 -2.881 547 HB3 GLN 70 1HB GLN 70 -6.201 -9.650 -4.413 548 HG2 GLN 70 2HG GLN 70 -4.712 -11.560 -4.809 549 HG3 GLN 70 1HG GLN 70 -3.965 -11.274 -3.236 550 HE21 GLN 70 1HE2 GLN 70 -5.109 -11.749 -1.378 551 HE22 GLN 70 2HE2 GLN 70 -6.538 -12.720 -1.393 552 H LEU 71 H LEU 71 -4.126 -6.735 -3.173 553 HA LEU 71 HA LEU 71 -6.245 -5.297 -4.315 554 HB2 LEU 71 2HB LEU 71 -5.589 -4.861 -2.072 555 HB3 LEU 71 1HB LEU 71 -3.931 -4.550 -2.544 556 HG LEU 71 HG LEU 71 -4.676 -2.534 -3.711 557 HD11 LEU 71 1HD1 LEU 71 -6.987 -3.138 -4.153 558 HD12 LEU 71 2HD1 LEU 71 -6.919 -1.630 -3.242 559 HD13 LEU 71 3HD1 LEU 71 -7.338 -3.136 -2.426 560 HD21 LEU 71 1HD2 LEU 71 -5.071 -1.202 -1.682 561 HD22 LEU 71 2HD2 LEU 71 -3.786 -2.389 -1.463 562 HD23 LEU 71 3HD2 LEU 71 -5.388 -2.688 -0.787 563 H PHE 72 H PHE 72 -2.715 -5.021 -4.653 564 HA PHE 72 HA PHE 72 -2.875 -2.965 -6.615 565 HB2 PHE 72 2HB PHE 72 -0.624 -4.736 -5.698 566 HB3 PHE 72 1HB PHE 72 -0.424 -3.568 -7.003 567 HD1 PHE 72 1HD PHE 72 -1.072 -3.982 -3.417 568 HD2 PHE 72 2HD PHE 72 -0.351 -1.227 -6.575 569 HE1 PHE 72 1HE PHE 72 -0.696 -2.198 -1.771 570 HE2 PHE 72 2HE PHE 72 0.031 0.562 -4.934 571 HZ PHE 72 HZ PHE 72 -0.145 0.076 -2.527 572 H GLN 73 H GLN 73 -2.666 -6.451 -6.744 573 HA GLN 73 HA GLN 73 -2.110 -6.739 -9.476 574 HB2 GLN 73 2HB GLN 73 -1.960 -8.590 -7.867 575 HB3 GLN 73 1HB GLN 73 -3.693 -8.531 -7.613 576 HG2 GLN 73 2HG GLN 73 -2.623 -9.047 -10.349 577 HG3 GLN 73 1HG GLN 73 -2.633 -10.343 -9.156 578 HE21 GLN 73 1HE2 GLN 73 -4.103 -10.103 -11.650 579 HE22 GLN 73 2HE2 GLN 73 -5.777 -10.229 -11.238 580 H ARG 74 H ARG 74 -5.192 -6.559 -7.736 581 HA ARG 74 HA ARG 74 -6.818 -6.707 -10.052 582 HB2 ARG 74 2HB ARG 74 -7.688 -7.240 -7.822 583 HB3 ARG 74 1HB ARG 74 -7.445 -5.574 -7.318 584 HG2 ARG 74 2HG ARG 74 -9.098 -4.839 -8.977 585 HG3 ARG 74 1HG ARG 74 -9.351 -6.518 -9.455 586 HD2 ARG 74 2HD ARG 74 -10.182 -7.066 -7.267 587 HD3 ARG 74 1HD ARG 74 -9.792 -5.457 -6.666 588 HE ARG 74 HE ARG 74 -11.662 -5.634 -8.896 589 HH11 ARG 74 1HH1 ARG 74 -11.254 -5.275 -5.411 590 HH12 ARG 74 2HH1 ARG 74 -12.792 -4.520 -5.182 591 HH21 ARG 74 1HH2 ARG 74 -13.722 -4.639 -8.565 592 HH22 ARG 74 2HH2 ARG 74 -14.188 -4.153 -6.967 593 H PHE 75 H PHE 75 -5.319 -4.068 -8.298 594 HA PHE 75 HA PHE 75 -6.762 -1.936 -9.392 595 HB2 PHE 75 2HB PHE 75 -5.242 -1.760 -7.429 596 HB3 PHE 75 1HB PHE 75 -3.866 -1.929 -8.509 597 HD1 PHE 75 1HD PHE 75 -6.760 0.229 -7.699 598 HD2 PHE 75 2HD PHE 75 -2.969 -0.049 -9.610 599 HE1 PHE 75 1HE PHE 75 -6.751 2.666 -8.020 600 HE2 PHE 75 2HE PHE 75 -2.954 2.392 -9.934 601 HZ PHE 75 HZ PHE 75 -4.846 3.751 -9.139 602 H ARG 76 H ARG 76 -3.734 -3.447 -10.505 603 HA ARG 76 HA ARG 76 -3.448 -1.749 -12.748 604 HB2 ARG 76 2HB ARG 76 -1.542 -2.993 -11.926 605 HB3 ARG 76 1HB ARG 76 -2.350 -4.520 -12.251 606 HG2 ARG 76 2HG ARG 76 -2.164 -4.230 -14.591 607 HG3 ARG 76 1HG ARG 76 -1.693 -2.540 -14.417 608 HD2 ARG 76 2HD ARG 76 -0.067 -4.836 -13.350 609 HD3 ARG 76 1HD ARG 76 0.175 -4.141 -14.952 610 HE ARG 76 HE ARG 76 0.602 -1.983 -13.748 611 HH11 ARG 76 1HH1 ARG 76 1.200 -5.066 -12.165 612 HH12 ARG 76 2HH1 ARG 76 2.388 -4.420 -11.090 613 HH21 ARG 76 1HH2 ARG 76 2.161 -1.149 -12.349 614 HH22 ARG 76 2HH2 ARG 76 2.933 -2.182 -11.177 615 H GLU 77 H GLU 77 -5.069 -4.849 -12.296 616 HA GLU 77 HA GLU 77 -5.716 -5.332 -14.987 617 HB2 GLU 77 2HB GLU 77 -7.206 -6.117 -12.477 618 HB3 GLU 77 1HB GLU 77 -7.534 -6.764 -14.078 619 HG2 GLU 77 2HG GLU 77 -4.939 -7.037 -12.581 620 HG3 GLU 77 1HG GLU 77 -6.181 -8.280 -12.720 621 H ALA 78 H ALA 78 -7.345 -3.497 -12.460 622 HA ALA 78 HA ALA 78 -9.674 -2.861 -13.912 623 HB1 ALA 78 1HB ALA 78 -9.542 -2.608 -11.492 624 HB2 ALA 78 2HB ALA 78 -9.981 -1.078 -12.253 625 HB3 ALA 78 3HB ALA 78 -8.334 -1.337 -11.679 626 H ILE 79 H ILE 79 -6.524 -1.276 -13.634 627 HA ILE 79 HA ILE 79 -7.115 1.059 -15.106 628 HB ILE 79 HB ILE 79 -4.477 -0.427 -14.911 629 HG12 ILE 79 2HG1 ILE 79 -5.487 1.942 -13.326 630 HG13 ILE 79 1HG1 ILE 79 -5.405 0.288 -12.729 631 HG21 ILE 79 1HG2 ILE 79 -3.435 1.709 -15.535 632 HG22 ILE 79 2HG2 ILE 79 -5.034 2.415 -15.766 633 HG23 ILE 79 3HG2 ILE 79 -4.493 1.100 -16.809 634 HD11 ILE 79 1HD1 ILE 79 -3.544 1.619 -11.922 635 HD12 ILE 79 2HD1 ILE 79 -3.064 1.973 -13.582 636 HD13 ILE 79 3HD1 ILE 79 -2.980 0.321 -12.974 637 H ASP 80 H ASP 80 -5.927 -2.114 -16.048 638 HA ASP 80 HA ASP 80 -5.560 -1.632 -18.790 639 HB2 ASP 80 2HB ASP 80 -4.606 -3.575 -17.709 640 HB3 ASP 80 1HB ASP 80 -6.207 -4.178 -17.301 641 H LYS 81 H LYS 81 -8.380 -2.625 -16.941 642 HA LYS 81 HA LYS 81 -10.054 -3.025 -19.250 643 HB2 LYS 81 2HB LYS 81 -10.691 -2.709 -16.313 644 HB3 LYS 81 1HB LYS 81 -11.896 -3.040 -17.545 645 HG2 LYS 81 2HG LYS 81 -10.935 -5.177 -18.007 646 HG3 LYS 81 1HG LYS 81 -9.551 -4.829 -16.968 647 HD2 LYS 81 2HD LYS 81 -11.241 -6.305 -15.893 648 HD3 LYS 81 1HD LYS 81 -10.961 -4.805 -15.008 649 HE2 LYS 81 2HE LYS 81 -12.987 -3.845 -16.006 650 HE3 LYS 81 1HE LYS 81 -13.257 -5.341 -16.894 651 HZ1 LYS 81 1HZ LYS 81 -13.551 -6.500 -14.814 652 HZ2 LYS 81 2HZ LYS 81 -14.608 -5.188 -14.877 653 HZ3 LYS 81 3HZ LYS 81 -13.212 -5.100 -13.936 654 H GLY 82 H GLY 82 -8.897 -0.323 -17.583 655 HA2 GLY 82 2HA GLY 82 -9.385 1.915 -17.704 656 HA3 GLY 82 1HA GLY 82 -10.428 1.538 -19.073 657 H ASP 83 H ASP 83 -10.877 -0.043 -16.044 658 HA ASP 83 HA ASP 83 -13.571 1.024 -15.915 659 HB2 ASP 83 2HB ASP 83 -13.077 -1.425 -15.672 660 HB3 ASP 83 1HB ASP 83 -12.303 -1.058 -14.134 661 H LYS 84 H LYS 84 -13.513 3.025 -15.128 662 HA LYS 84 HA LYS 84 -11.822 3.950 -13.066 663 HB2 LYS 84 2HB LYS 84 -12.777 5.462 -14.703 664 HB3 LYS 84 1HB LYS 84 -14.403 5.052 -14.190 665 HG2 LYS 84 2HG LYS 84 -14.086 6.170 -12.094 666 HG3 LYS 84 1HG LYS 84 -12.375 6.433 -12.448 667 HD2 LYS 84 2HD LYS 84 -12.919 7.892 -14.277 668 HD3 LYS 84 1HD LYS 84 -14.635 7.521 -14.119 669 HE2 LYS 84 2HE LYS 84 -12.994 8.841 -11.965 670 HE3 LYS 84 1HE LYS 84 -13.932 9.728 -13.164 671 HZ1 LYS 84 1HZ LYS 84 -15.221 9.519 -11.193 672 HZ2 LYS 84 2HZ LYS 84 -14.974 7.853 -11.105 673 HZ3 LYS 84 3HZ LYS 84 -15.913 8.506 -12.352 674 H ASP 85 H ASP 85 -14.945 2.428 -13.067 675 HA ASP 85 HA ASP 85 -15.873 3.160 -10.528 676 HB2 ASP 85 2HB ASP 85 -17.362 2.067 -12.061 677 HB3 ASP 85 1HB ASP 85 -16.321 0.650 -12.148 678 H SER 86 H SER 86 -13.928 0.367 -11.526 679 HA SER 86 HA SER 86 -13.631 -0.669 -8.899 680 HB2 SER 86 2HB SER 86 -11.850 -1.130 -11.298 681 HB3 SER 86 1HB SER 86 -11.970 -2.150 -9.865 682 HG SER 86 HG SER 86 -14.010 -1.623 -11.774 683 H LEU 87 H LEU 87 -11.771 1.572 -10.869 684 HA LEU 87 HA LEU 87 -9.400 1.581 -9.384 685 HB2 LEU 87 2HB LEU 87 -10.651 3.815 -10.982 686 HB3 LEU 87 1HB LEU 87 -9.003 3.817 -10.389 687 HG LEU 87 HG LEU 87 -10.144 1.876 -12.404 688 HD11 LEU 87 1HD1 LEU 87 -8.743 2.997 -14.016 689 HD12 LEU 87 2HD1 LEU 87 -8.144 4.097 -12.778 690 HD13 LEU 87 3HD1 LEU 87 -9.836 4.164 -13.273 691 HD21 LEU 87 1HD2 LEU 87 -7.827 1.141 -12.669 692 HD22 LEU 87 2HD2 LEU 87 -8.437 0.834 -11.044 693 HD23 LEU 87 3HD2 LEU 87 -7.347 2.191 -11.335 694 H GLU 88 H GLU 88 -12.254 3.686 -9.091 695 HA GLU 88 HA GLU 88 -11.241 5.189 -6.925 696 HB2 GLU 88 2HB GLU 88 -14.083 4.662 -7.783 697 HB3 GLU 88 1HB GLU 88 -13.616 5.838 -6.563 698 HG2 GLU 88 2HG GLU 88 -12.280 7.023 -8.248 699 HG3 GLU 88 1HG GLU 88 -12.824 5.865 -9.462 700 H GLN 89 H GLN 89 -13.188 2.262 -7.088 701 HA GLN 89 HA GLN 89 -13.812 2.030 -4.366 702 HB2 GLN 89 2HB GLN 89 -14.933 0.732 -6.097 703 HB3 GLN 89 1HB GLN 89 -13.434 -0.104 -6.467 704 HG2 GLN 89 2HG GLN 89 -13.437 -1.121 -4.267 705 HG3 GLN 89 1HG GLN 89 -14.914 -0.249 -3.860 706 HE21 GLN 89 1HE2 GLN 89 -16.842 -0.847 -4.829 707 HE22 GLN 89 2HE2 GLN 89 -17.051 -2.385 -5.584 708 H LEU 90 H LEU 90 -11.090 0.829 -6.259 709 HA LEU 90 HA LEU 90 -9.888 -0.605 -4.143 710 HB2 LEU 90 2HB LEU 90 -8.715 0.464 -6.700 711 HB3 LEU 90 1HB LEU 90 -7.894 -0.642 -5.613 712 HG LEU 90 HG LEU 90 -10.483 -1.250 -7.039 713 HD11 LEU 90 1HD1 LEU 90 -8.629 -1.052 -8.598 714 HD12 LEU 90 2HD1 LEU 90 -9.166 -2.724 -8.437 715 HD13 LEU 90 3HD1 LEU 90 -7.693 -2.189 -7.628 716 HD21 LEU 90 1HD2 LEU 90 -10.090 -3.530 -6.296 717 HD22 LEU 90 2HD2 LEU 90 -10.224 -2.438 -4.921 718 HD23 LEU 90 3HD2 LEU 90 -8.639 -3.016 -5.438 719 H LEU 91 H LEU 91 -9.555 2.703 -5.296 720 HA LEU 91 HA LEU 91 -7.307 3.408 -3.767 721 HB2 LEU 91 2HB LEU 91 -9.640 5.097 -4.665 722 HB3 LEU 91 1HB LEU 91 -8.184 5.744 -3.941 723 HG LEU 91 HG LEU 91 -8.338 4.264 -6.567 724 HD11 LEU 91 1HD1 LEU 91 -7.783 6.429 -7.552 725 HD12 LEU 91 2HD1 LEU 91 -7.866 7.176 -5.957 726 HD13 LEU 91 3HD1 LEU 91 -9.316 6.484 -6.683 727 HD21 LEU 91 1HD2 LEU 91 -6.000 5.562 -5.166 728 HD22 LEU 91 2HD2 LEU 91 -5.984 4.957 -6.822 729 HD23 LEU 91 3HD2 LEU 91 -6.215 3.839 -5.478 730 H GLU 92 H GLU 92 -10.754 3.416 -2.986 731 HA GLU 92 HA GLU 92 -10.517 4.555 -0.409 732 HB2 GLU 92 2HB GLU 92 -12.602 2.621 -1.437 733 HB3 GLU 92 1HB GLU 92 -12.753 3.630 -0.007 734 HG2 GLU 92 2HG GLU 92 -12.510 4.614 -2.841 735 HG3 GLU 92 1HG GLU 92 -13.992 4.544 -1.891 736 H GLU 93 H GLU 93 -10.580 1.210 -1.554 737 HA GLU 93 HA GLU 93 -10.389 -0.122 0.905 738 HB2 GLU 93 2HB GLU 93 -10.906 -1.258 -1.210 739 HB3 GLU 93 1HB GLU 93 -9.301 -0.893 -1.817 740 HG2 GLU 93 2HG GLU 93 -9.186 -3.128 -1.189 741 HG3 GLU 93 1HG GLU 93 -8.433 -2.269 0.151 742 H LEU 94 H LEU 94 -7.956 1.191 -1.255 743 HA LEU 94 HA LEU 94 -5.649 0.210 -0.013 744 HB2 LEU 94 2HB LEU 94 -5.661 1.103 -2.259 745 HB3 LEU 94 1HB LEU 94 -6.118 2.683 -1.667 746 HG LEU 94 HG LEU 94 -3.922 2.884 -0.558 747 HD11 LEU 94 1HD1 LEU 94 -3.457 0.517 -0.203 748 HD12 LEU 94 2HD1 LEU 94 -2.150 1.291 -1.099 749 HD13 LEU 94 3HD1 LEU 94 -3.318 0.276 -1.945 750 HD21 LEU 94 1HD2 LEU 94 -2.623 3.175 -2.615 751 HD22 LEU 94 2HD2 LEU 94 -4.265 3.795 -2.786 752 HD23 LEU 94 3HD2 LEU 94 -3.829 2.245 -3.504 753 H GLU 95 H GLU 95 -7.370 3.304 0.434 754 HA GLU 95 HA GLU 95 -5.539 4.409 2.271 755 HB2 GLU 95 2HB GLU 95 -8.501 4.920 2.002 756 HB3 GLU 95 1HB GLU 95 -7.386 5.913 2.927 757 HG2 GLU 95 2HG GLU 95 -6.166 6.426 0.860 758 HG3 GLU 95 1HG GLU 95 -7.340 5.471 -0.046 759 H GLN 96 H GLN 96 -8.529 2.590 2.773 760 HA GLN 96 HA GLN 96 -8.459 2.664 5.583 761 HB2 GLN 96 2HB GLN 96 -9.749 0.662 3.733 762 HB3 GLN 96 1HB GLN 96 -10.038 0.750 5.466 763 HG2 GLN 96 2HG GLN 96 -10.901 3.031 5.184 764 HG3 GLN 96 1HG GLN 96 -10.652 2.892 3.445 765 HE21 GLN 96 1HE2 GLN 96 -13.089 3.344 4.950 766 HE22 GLN 96 2HE2 GLN 96 -14.166 2.064 4.516 767 H ALA 97 H ALA 97 -7.016 0.478 3.249 768 HA ALA 97 HA ALA 97 -6.175 -1.505 5.071 769 HB1 ALA 97 1HB ALA 97 -4.915 -0.687 2.452 770 HB2 ALA 97 2HB ALA 97 -6.214 -1.864 2.649 771 HB3 ALA 97 3HB ALA 97 -4.616 -2.194 3.319 772 H LEU 98 H LEU 98 -4.667 1.474 3.909 773 HA LEU 98 HA LEU 98 -2.164 1.177 5.165 774 HB2 LEU 98 2HB LEU 98 -3.704 3.685 4.504 775 HB3 LEU 98 1HB LEU 98 -2.018 3.646 4.971 776 HG LEU 98 HG LEU 98 -3.140 2.347 2.493 777 HD11 LEU 98 1HD1 LEU 98 -1.612 4.925 2.821 778 HD12 LEU 98 2HD1 LEU 98 -3.316 4.777 2.391 779 HD13 LEU 98 3HD1 LEU 98 -2.074 4.182 1.290 780 HD21 LEU 98 1HD2 LEU 98 -0.779 2.164 1.851 781 HD22 LEU 98 2HD2 LEU 98 -1.131 1.253 3.318 782 HD23 LEU 98 3HD2 LEU 98 -0.306 2.809 3.422 783 H GLN 99 H GLN 99 -5.203 2.568 6.242 784 HA GLN 99 HA GLN 99 -4.312 3.641 8.681 785 HB2 GLN 99 2HB GLN 99 -7.045 2.574 7.948 786 HB3 GLN 99 1HB GLN 99 -6.691 3.596 9.333 787 HG2 GLN 99 2HG GLN 99 -6.101 5.429 7.914 788 HG3 GLN 99 1HG GLN 99 -6.215 4.412 6.478 789 HE21 GLN 99 1HE2 GLN 99 -7.607 6.874 7.133 790 HE22 GLN 99 2HE2 GLN 99 -9.297 6.509 7.066 791 H LYS 100 H LYS 100 -5.560 0.457 7.815 792 HA LYS 100 HA LYS 100 -5.585 -0.550 10.468 793 HB2 LYS 100 2HB LYS 100 -6.910 -1.528 8.623 794 HB3 LYS 100 1HB LYS 100 -5.422 -2.089 7.874 795 HG2 LYS 100 2HG LYS 100 -4.973 -3.509 9.798 796 HG3 LYS 100 1HG LYS 100 -6.443 -2.925 10.577 797 HD2 LYS 100 2HD LYS 100 -7.772 -3.843 8.731 798 HD3 LYS 100 1HD LYS 100 -6.294 -4.450 7.980 799 HE2 LYS 100 2HE LYS 100 -7.410 -6.229 9.197 800 HE3 LYS 100 1HE LYS 100 -5.872 -5.834 9.962 801 HZ1 LYS 100 1HZ LYS 100 -7.111 -4.483 11.583 802 HZ2 LYS 100 2HZ LYS 100 -7.558 -6.106 11.623 803 HZ3 LYS 100 3HZ LYS 100 -8.568 -4.974 10.876 804 H ILE 101 H ILE 101 -3.244 -0.806 7.803 805 HA ILE 101 HA ILE 101 -1.409 -2.487 9.105 806 HB ILE 101 HB ILE 101 -0.893 -0.395 6.972 807 HG12 ILE 101 2HG1 ILE 101 -1.264 -3.396 6.773 808 HG13 ILE 101 1HG1 ILE 101 -2.452 -2.186 6.303 809 HG21 ILE 101 1HG2 ILE 101 0.896 -2.640 7.913 810 HG22 ILE 101 2HG2 ILE 101 1.179 -0.914 8.144 811 HG23 ILE 101 3HG2 ILE 101 1.202 -1.602 6.520 812 HD11 ILE 101 1HD1 ILE 101 -1.297 -3.083 4.366 813 HD12 ILE 101 2HD1 ILE 101 0.254 -2.592 5.043 814 HD13 ILE 101 3HD1 ILE 101 -0.926 -1.371 4.569 815 H ARG 102 H ARG 102 -1.739 1.026 9.094 816 HA ARG 102 HA ARG 102 0.643 1.667 10.422 817 HB2 ARG 102 2HB ARG 102 -0.830 3.317 9.296 818 HB3 ARG 102 1HB ARG 102 -2.001 3.122 10.595 819 HG2 ARG 102 2HG ARG 102 -0.095 3.794 12.157 820 HG3 ARG 102 1HG ARG 102 0.726 4.346 10.698 821 HD2 ARG 102 2HD ARG 102 -1.106 5.860 10.209 822 HD3 ARG 102 1HD ARG 102 -2.005 5.257 11.605 823 HE ARG 102 HE ARG 102 0.067 7.205 11.614 824 HH11 ARG 102 1HH1 ARG 102 -1.425 4.656 13.541 825 HH12 ARG 102 2HH1 ARG 102 -0.717 5.195 15.029 826 HH21 ARG 102 1HH2 ARG 102 0.926 7.962 13.626 827 HH22 ARG 102 2HH2 ARG 102 0.574 7.100 15.084 828 H GLU 103 H GLU 103 -2.580 0.946 11.691 829 HA GLU 103 HA GLU 103 -1.961 1.413 14.407 830 HB2 GLU 103 2HB GLU 103 -4.108 -0.325 13.190 831 HB3 GLU 103 1HB GLU 103 -4.052 0.204 14.867 832 HG2 GLU 103 2HG GLU 103 -4.228 2.048 12.495 833 HG3 GLU 103 1HG GLU 103 -5.600 1.521 13.467 834 H LEU 104 H LEU 104 -1.839 -1.453 12.374 835 HA LEU 104 HA LEU 104 -1.219 -3.280 14.449 836 HB2 LEU 104 2HB LEU 104 -0.636 -3.420 11.491 837 HB3 LEU 104 1HB LEU 104 -0.437 -4.755 12.607 838 HG LEU 104 HG LEU 104 -3.057 -3.413 11.931 839 HD11 LEU 104 1HD1 LEU 104 -2.187 -4.720 10.078 840 HD12 LEU 104 2HD1 LEU 104 -3.584 -5.515 10.804 841 HD13 LEU 104 3HD1 LEU 104 -1.958 -6.105 11.145 842 HD21 LEU 104 1HD2 LEU 104 -2.447 -5.808 13.663 843 HD22 LEU 104 2HD2 LEU 104 -4.060 -5.281 13.184 844 HD23 LEU 104 3HD2 LEU 104 -3.065 -4.249 14.210 845 H ALA 105 H ALA 105 0.702 -1.169 12.419 846 HA ALA 105 HA ALA 105 3.239 -2.247 13.052 847 HB1 ALA 105 1HB ALA 105 2.536 0.564 12.208 848 HB2 ALA 105 2HB ALA 105 2.867 -0.785 11.122 849 HB3 ALA 105 3HB ALA 105 4.143 -0.160 12.166 850 H GLU 106 H GLU 106 1.119 -0.038 14.709 851 HA GLU 106 HA GLU 106 3.186 0.669 16.629 852 HB2 GLU 106 2HB GLU 106 0.262 1.429 16.576 853 HB3 GLU 106 1HB GLU 106 1.460 2.059 17.696 854 HG2 GLU 106 2HG GLU 106 2.676 2.733 15.453 855 HG3 GLU 106 1HG GLU 106 1.028 2.666 14.828 856 H LYS 107 H LYS 107 1.256 -1.902 16.121 857 HA LYS 107 HA LYS 107 0.576 -3.681 17.318 858 HB2 LYS 107 2HB LYS 107 2.913 -3.580 18.189 859 HB3 LYS 107 1HB LYS 107 2.354 -2.573 19.512 860 HG2 LYS 107 2HG LYS 107 2.666 -4.888 20.212 861 HG3 LYS 107 1HG LYS 107 0.976 -4.402 20.347 862 HD2 LYS 107 2HD LYS 107 0.502 -5.520 18.210 863 HD3 LYS 107 1HD LYS 107 2.192 -6.021 18.107 864 HE2 LYS 107 2HE LYS 107 0.232 -6.793 20.266 865 HE3 LYS 107 1HE LYS 107 0.776 -7.824 18.944 866 HZ1 LYS 107 1HZ LYS 107 2.387 -6.795 21.212 867 HZ2 LYS 107 2HZ LYS 107 3.076 -7.498 19.838 868 HZ3 LYS 107 3HZ LYS 107 2.041 -8.408 20.822 869 H LYS 108 H LYS 108 -1.236 -1.731 17.209 870 HA LYS 108 HA LYS 108 -2.240 -1.194 19.870 871 HB2 LYS 108 2HB LYS 108 -3.331 -0.536 17.138 872 HB3 LYS 108 1HB LYS 108 -4.129 -0.102 18.641 873 HG2 LYS 108 2HG LYS 108 -2.181 1.234 19.279 874 HG3 LYS 108 1HG LYS 108 -1.410 0.816 17.746 875 HD2 LYS 108 2HD LYS 108 -3.265 1.861 16.540 876 HD3 LYS 108 1HD LYS 108 -4.015 2.291 18.077 877 HE2 LYS 108 2HE LYS 108 -2.132 3.699 18.638 878 HE3 LYS 108 1HE LYS 108 -1.293 3.204 17.169 879 HZ1 LYS 108 1HZ LYS 108 -2.327 5.345 16.871 880 HZ2 LYS 108 2HZ LYS 108 -3.840 4.718 17.288 881 HZ3 LYS 108 3HZ LYS 108 -3.077 4.202 15.869 882 H ASN 109 H ASN 109 -2.931 -2.977 20.820 883 HA ASN 109 HA ASN 109 -4.912 -4.585 19.396 884 HB2 ASN 109 2HB ASN 109 -4.276 -6.380 21.164 885 HB3 ASN 109 1HB ASN 109 -3.195 -6.106 19.808 886 HD21 ASN 109 1HD2 ASN 109 -3.499 -4.066 22.671 887 HD22 ASN 109 2HD2 ASN 109 -1.900 -4.372 23.275 Start of MODEL 2 1 H1 SER 1 1HT SER 1 4.769 3.999 16.141 2 H2 SER 1 2HT SER 1 3.906 3.861 14.681 3 H3 SER 1 3HT SER 1 4.491 5.364 15.179 4 HA SER 1 HA SER 1 6.132 3.035 14.440 5 HB2 SER 1 2HB SER 1 5.690 5.669 13.006 6 HB3 SER 1 1HB SER 1 6.778 4.382 12.486 7 HG SER 1 HG SER 1 3.946 4.402 12.575 8 H GLU 2 H GLU 2 7.405 3.149 16.254 9 HA GLU 2 HA GLU 2 8.677 5.666 16.927 10 HB2 GLU 2 2HB GLU 2 9.011 2.954 18.221 11 HB3 GLU 2 1HB GLU 2 9.559 4.494 18.862 12 HG2 GLU 2 2HG GLU 2 7.613 3.957 20.063 13 HG3 GLU 2 1HG GLU 2 7.129 5.197 18.910 14 H PHE 3 H PHE 3 9.342 2.704 15.317 15 HA PHE 3 HA PHE 3 12.199 3.136 15.245 16 HB2 PHE 3 2HB PHE 3 10.479 1.111 13.786 17 HB3 PHE 3 1HB PHE 3 12.238 1.114 13.832 18 HD1 PHE 3 1HD PHE 3 9.195 0.228 15.572 19 HD2 PHE 3 2HD PHE 3 13.414 0.637 15.960 20 HE1 PHE 3 1HE PHE 3 9.135 -1.142 17.615 21 HE2 PHE 3 2HE PHE 3 13.363 -0.734 18.002 22 HZ PHE 3 HZ PHE 3 11.222 -1.625 18.833 23 H GLU 4 H GLU 4 13.223 4.254 13.714 24 HA GLU 4 HA GLU 4 11.802 5.899 11.957 25 HB2 GLU 4 2HB GLU 4 14.091 6.346 12.870 26 HB3 GLU 4 1HB GLU 4 14.718 5.158 11.738 27 HG2 GLU 4 2HG GLU 4 13.901 6.502 9.872 28 HG3 GLU 4 1HG GLU 4 13.271 7.693 11.007 29 H LYS 5 H LYS 5 13.380 2.802 11.458 30 HA LYS 5 HA LYS 5 13.292 2.733 8.643 31 HB2 LYS 5 2HB LYS 5 13.001 0.363 10.496 32 HB3 LYS 5 1HB LYS 5 13.595 0.348 8.842 33 HG2 LYS 5 2HG LYS 5 15.575 1.559 9.494 34 HG3 LYS 5 1HG LYS 5 14.959 1.735 11.137 35 HD2 LYS 5 2HD LYS 5 16.520 -0.051 11.193 36 HD3 LYS 5 1HD LYS 5 14.919 -0.783 11.272 37 HE2 LYS 5 2HE LYS 5 16.294 -2.040 9.747 38 HE3 LYS 5 1HE LYS 5 15.035 -1.208 8.837 39 HZ1 LYS 5 1HZ LYS 5 17.194 -1.053 7.760 40 HZ2 LYS 5 2HZ LYS 5 17.847 -0.300 9.119 41 HZ3 LYS 5 3HZ LYS 5 16.646 0.478 8.217 42 H LEU 6 H LEU 6 10.976 1.741 11.098 43 HA LEU 6 HA LEU 6 9.048 0.720 9.264 44 HB2 LEU 6 2HB LEU 6 9.146 -0.024 11.596 45 HB3 LEU 6 1HB LEU 6 8.765 1.595 12.141 46 HG LEU 6 HG LEU 6 6.543 1.403 11.038 47 HD11 LEU 6 1HD1 LEU 6 7.084 -0.246 9.345 48 HD12 LEU 6 2HD1 LEU 6 5.756 -0.815 10.358 49 HD13 LEU 6 3HD1 LEU 6 7.381 -1.457 10.592 50 HD21 LEU 6 1HD2 LEU 6 5.582 -0.114 12.703 51 HD22 LEU 6 2HD2 LEU 6 6.796 0.948 13.416 52 HD23 LEU 6 3HD2 LEU 6 7.193 -0.734 13.066 53 H ARG 7 H ARG 7 9.598 3.787 10.885 54 HA ARG 7 HA ARG 7 7.178 5.028 10.183 55 HB2 ARG 7 2HB ARG 7 8.575 5.950 11.928 56 HB3 ARG 7 1HB ARG 7 9.891 6.209 10.795 57 HG2 ARG 7 2HG ARG 7 8.742 8.293 11.351 58 HG3 ARG 7 1HG ARG 7 8.596 7.908 9.637 59 HD2 ARG 7 2HD ARG 7 6.342 7.051 10.009 60 HD3 ARG 7 1HD ARG 7 6.488 7.382 11.736 61 HE ARG 7 HE ARG 7 6.811 9.793 10.961 62 HH11 ARG 7 1HH1 ARG 7 4.755 7.482 9.294 63 HH12 ARG 7 2HH1 ARG 7 3.725 8.696 8.622 64 HH21 ARG 7 1HH2 ARG 7 5.440 11.384 10.099 65 HH22 ARG 7 2HH2 ARG 7 4.097 10.938 9.102 66 H GLN 8 H GLN 8 10.358 5.034 8.575 67 HA GLN 8 HA GLN 8 9.604 6.759 6.470 68 HB2 GLN 8 2HB GLN 8 11.705 4.581 6.398 69 HB3 GLN 8 1HB GLN 8 11.584 5.943 5.297 70 HG2 GLN 8 2HG GLN 8 12.233 6.039 8.230 71 HG3 GLN 8 1HG GLN 8 13.328 6.347 6.887 72 HE21 GLN 8 1HE2 GLN 8 12.565 8.024 9.142 73 HE22 GLN 8 2HE2 GLN 8 11.940 9.485 8.459 74 H THR 9 H THR 9 9.621 3.237 6.740 75 HA THR 9 HA THR 9 8.779 2.696 4.113 76 HB THR 9 HB THR 9 8.416 1.044 6.625 77 HG1 THR 9 1HG THR 9 10.597 1.365 6.240 78 HG21 THR 9 1HG2 THR 9 8.262 -0.872 5.065 79 HG22 THR 9 2HG2 THR 9 8.257 0.255 3.708 80 HG23 THR 9 3HG2 THR 9 6.926 0.260 4.867 81 H GLY 10 H GLY 10 6.949 3.002 7.153 82 HA2 GLY 10 2HA GLY 10 4.419 2.449 6.004 83 HA3 GLY 10 1HA GLY 10 4.705 3.220 7.557 84 H ASP 11 H ASP 11 6.140 5.476 6.650 85 HA ASP 11 HA ASP 11 3.942 7.157 6.003 86 HB2 ASP 11 2HB ASP 11 5.892 7.860 7.384 87 HB3 ASP 11 1HB ASP 11 6.884 7.842 5.931 88 H GLU 12 H GLU 12 6.804 6.115 4.156 89 HA GLU 12 HA GLU 12 6.131 7.562 1.841 90 HB2 GLU 12 2HB GLU 12 8.104 5.542 2.556 91 HB3 GLU 12 1HB GLU 12 7.544 5.389 0.897 92 HG2 GLU 12 2HG GLU 12 8.705 7.865 2.154 93 HG3 GLU 12 1HG GLU 12 9.520 6.788 1.020 94 H LEU 13 H LEU 13 5.235 4.347 2.940 95 HA LEU 13 HA LEU 13 4.098 3.428 0.550 96 HB2 LEU 13 2HB LEU 13 4.535 2.017 2.534 97 HB3 LEU 13 1HB LEU 13 3.234 2.827 3.382 98 HG LEU 13 HG LEU 13 1.629 1.929 1.716 99 HD11 LEU 13 1HD1 LEU 13 3.121 1.658 -0.174 100 HD12 LEU 13 2HD1 LEU 13 2.362 0.118 0.230 101 HD13 LEU 13 3HD1 LEU 13 4.034 0.426 0.697 102 HD21 LEU 13 1HD2 LEU 13 1.993 0.772 3.828 103 HD22 LEU 13 2HD2 LEU 13 3.330 -0.130 3.116 104 HD23 LEU 13 3HD2 LEU 13 1.687 -0.381 2.529 105 H VAL 14 H VAL 14 2.614 5.159 3.281 106 HA VAL 14 HA VAL 14 0.038 5.340 2.115 107 HB VAL 14 HB VAL 14 1.296 7.123 4.220 108 HG11 VAL 14 1HG1 VAL 14 -1.005 7.696 4.843 109 HG12 VAL 14 2HG1 VAL 14 -1.611 6.732 3.497 110 HG13 VAL 14 3HG1 VAL 14 -0.650 8.177 3.184 111 HG21 VAL 14 1HG2 VAL 14 1.270 4.793 4.910 112 HG22 VAL 14 2HG2 VAL 14 -0.441 4.670 4.502 113 HG23 VAL 14 3HG2 VAL 14 0.075 5.713 5.827 114 H GLN 15 H GLN 15 2.785 7.566 2.234 115 HA GLN 15 HA GLN 15 1.496 9.685 0.912 116 HB2 GLN 15 2HB GLN 15 4.426 9.068 1.240 117 HB3 GLN 15 1HB GLN 15 3.817 10.555 0.523 118 HG2 GLN 15 2HG GLN 15 3.245 9.588 3.318 119 HG3 GLN 15 1HG GLN 15 4.393 10.850 2.877 120 HE21 GLN 15 1HE2 GLN 15 2.760 12.040 0.849 121 HE22 GLN 15 2HE2 GLN 15 1.468 12.859 1.656 122 H ALA 16 H ALA 16 3.392 6.975 -0.328 123 HA ALA 16 HA ALA 16 3.653 7.884 -2.964 124 HB1 ALA 16 1HB ALA 16 3.365 5.031 -2.024 125 HB2 ALA 16 2HB ALA 16 4.871 5.947 -2.074 126 HB3 ALA 16 3HB ALA 16 4.025 5.558 -3.573 127 H PHE 17 H PHE 17 1.088 5.965 -1.436 128 HA PHE 17 HA PHE 17 -0.493 5.755 -3.777 129 HB2 PHE 17 2HB PHE 17 -1.119 5.445 -0.858 130 HB3 PHE 17 1HB PHE 17 -2.371 5.322 -2.085 131 HD1 PHE 17 1HD PHE 17 -0.097 3.524 -0.169 132 HD2 PHE 17 2HD PHE 17 -1.762 3.676 -4.075 133 HE1 PHE 17 1HE PHE 17 0.455 1.156 -0.490 134 HE2 PHE 17 2HE PHE 17 -1.216 1.301 -4.406 135 HZ PHE 17 HZ PHE 17 -0.108 0.037 -2.610 136 H GLN 18 H GLN 18 -0.378 8.088 -1.141 137 HA GLN 18 HA GLN 18 -2.649 9.581 -1.821 138 HB2 GLN 18 2HB GLN 18 -1.303 9.725 0.309 139 HB3 GLN 18 1HB GLN 18 -0.079 10.604 -0.586 140 HG2 GLN 18 2HG GLN 18 -2.909 11.581 -0.428 141 HG3 GLN 18 1HG GLN 18 -1.736 11.918 0.840 142 HE21 GLN 18 1HE2 GLN 18 -3.122 13.735 -0.969 143 HE22 GLN 18 2HE2 GLN 18 -1.892 14.611 -1.809 144 H ARG 19 H ARG 19 0.740 9.879 -2.828 145 HA ARG 19 HA ARG 19 0.323 12.092 -4.567 146 HB2 ARG 19 2HB ARG 19 2.535 10.021 -4.618 147 HB3 ARG 19 1HB ARG 19 2.565 11.580 -5.431 148 HG2 ARG 19 2HG ARG 19 2.450 12.702 -3.241 149 HG3 ARG 19 1HG ARG 19 2.472 11.128 -2.454 150 HD2 ARG 19 2HD ARG 19 4.648 12.257 -4.213 151 HD3 ARG 19 1HD ARG 19 4.686 12.167 -2.456 152 HE ARG 19 HE ARG 19 4.729 9.851 -4.275 153 HH11 ARG 19 1HH1 ARG 19 5.443 11.273 -1.130 154 HH12 ARG 19 2HH1 ARG 19 6.425 9.934 -0.615 155 HH21 ARG 19 1HH2 ARG 19 6.054 8.098 -3.575 156 HH22 ARG 19 2HH2 ARG 19 6.788 8.149 -2.002 157 H LEU 20 H LEU 20 0.248 8.620 -4.934 158 HA LEU 20 HA LEU 20 0.108 8.399 -7.720 159 HB2 LEU 20 2HB LEU 20 0.441 6.549 -6.058 160 HB3 LEU 20 1HB LEU 20 -1.266 6.651 -5.681 161 HG LEU 20 HG LEU 20 -1.668 6.154 -8.156 162 HD11 LEU 20 1HD1 LEU 20 1.216 5.313 -7.941 163 HD12 LEU 20 2HD1 LEU 20 0.573 6.599 -8.962 164 HD13 LEU 20 3HD1 LEU 20 0.130 4.919 -9.272 165 HD21 LEU 20 1HD2 LEU 20 -1.446 3.749 -7.787 166 HD22 LEU 20 2HD2 LEU 20 -2.104 4.559 -6.365 167 HD23 LEU 20 3HD2 LEU 20 -0.414 4.056 -6.390 168 H ARG 21 H ARG 21 -2.355 8.969 -5.279 169 HA ARG 21 HA ARG 21 -4.667 8.664 -6.817 170 HB2 ARG 21 2HB ARG 21 -4.572 8.929 -4.340 171 HB3 ARG 21 1HB ARG 21 -4.215 10.632 -4.571 172 HG2 ARG 21 2HG ARG 21 -6.382 10.909 -5.708 173 HG3 ARG 21 1HG ARG 21 -6.741 9.212 -5.382 174 HD2 ARG 21 2HD ARG 21 -6.511 9.645 -2.977 175 HD3 ARG 21 1HD ARG 21 -6.212 11.346 -3.324 176 HE ARG 21 HE ARG 21 -8.755 9.922 -3.564 177 HH11 ARG 21 1HH1 ARG 21 -6.962 12.926 -3.877 178 HH12 ARG 21 2HH1 ARG 21 -8.369 13.920 -3.940 179 HH21 ARG 21 1HH2 ARG 21 -10.645 11.251 -3.593 180 HH22 ARG 21 2HH2 ARG 21 -10.476 12.963 -3.769 181 H GLU 22 H GLU 22 -2.597 11.479 -6.303 182 HA GLU 22 HA GLU 22 -4.141 13.309 -7.803 183 HB2 GLU 22 2HB GLU 22 -1.204 13.289 -7.110 184 HB3 GLU 22 1HB GLU 22 -2.016 14.638 -7.893 185 HG2 GLU 22 2HG GLU 22 -2.714 13.522 -5.188 186 HG3 GLU 22 1HG GLU 22 -1.746 14.967 -5.482 187 H ILE 23 H ILE 23 -1.457 11.184 -8.644 188 HA ILE 23 HA ILE 23 -1.127 12.061 -11.305 189 HB ILE 23 HB ILE 23 -0.535 9.341 -10.112 190 HG12 ILE 23 2HG1 ILE 23 1.266 11.737 -10.516 191 HG13 ILE 23 1HG1 ILE 23 0.578 11.241 -8.974 192 HG21 ILE 23 1HG2 ILE 23 1.033 9.074 -11.971 193 HG22 ILE 23 2HG2 ILE 23 0.520 10.627 -12.631 194 HG23 ILE 23 3HG2 ILE 23 -0.618 9.282 -12.560 195 HD11 ILE 23 1HD1 ILE 23 2.873 10.528 -9.157 196 HD12 ILE 23 2HD1 ILE 23 2.509 9.664 -10.651 197 HD13 ILE 23 3HD1 ILE 23 1.800 9.129 -9.127 198 H PHE 24 H PHE 24 -3.112 9.531 -9.852 199 HA PHE 24 HA PHE 24 -4.184 8.500 -12.252 200 HB2 PHE 24 2HB PHE 24 -4.367 7.204 -10.230 201 HB3 PHE 24 1HB PHE 24 -5.239 8.499 -9.418 202 HD1 PHE 24 1HD PHE 24 -5.521 6.330 -12.438 203 HD2 PHE 24 2HD PHE 24 -7.525 8.338 -9.267 204 HE1 PHE 24 1HE PHE 24 -7.651 5.346 -13.164 205 HE2 PHE 24 2HE PHE 24 -9.660 7.354 -9.986 206 HZ PHE 24 HZ PHE 24 -9.724 5.857 -11.937 207 H ASP 25 H ASP 25 -5.234 11.051 -10.054 208 HA ASP 25 HA ASP 25 -7.664 11.645 -11.366 209 HB2 ASP 25 2HB ASP 25 -7.205 12.374 -9.076 210 HB3 ASP 25 1HB ASP 25 -5.909 13.415 -9.652 211 H LYS 26 H LYS 26 -4.365 12.594 -11.892 212 HA LYS 26 HA LYS 26 -4.916 14.686 -13.759 213 HB2 LYS 26 2HB LYS 26 -2.871 14.759 -12.507 214 HB3 LYS 26 1HB LYS 26 -2.438 13.133 -13.002 215 HG2 LYS 26 2HG LYS 26 -2.241 13.961 -15.321 216 HG3 LYS 26 1HG LYS 26 -2.507 15.596 -14.712 217 HD2 LYS 26 2HD LYS 26 -0.516 15.481 -13.374 218 HD3 LYS 26 1HD LYS 26 -0.301 13.773 -13.761 219 HE2 LYS 26 2HE LYS 26 1.211 15.156 -15.071 220 HE3 LYS 26 1HE LYS 26 0.041 14.347 -16.112 221 HZ1 LYS 26 1HZ LYS 26 -1.245 16.409 -16.162 222 HZ2 LYS 26 2HZ LYS 26 0.306 16.631 -16.773 223 HZ3 LYS 26 3HZ LYS 26 -0.073 17.172 -15.216 224 H GLY 27 H GLY 27 -4.814 11.274 -13.872 225 HA2 GLY 27 2HA GLY 27 -5.306 9.836 -15.599 226 HA3 GLY 27 1HA GLY 27 -5.511 11.234 -16.644 227 H ASP 28 H ASP 28 -2.558 10.734 -14.857 228 HA ASP 28 HA ASP 28 -1.170 10.411 -17.418 229 HB2 ASP 28 2HB ASP 28 -0.486 12.189 -15.703 230 HB3 ASP 28 1HB ASP 28 0.143 10.859 -14.737 231 H ASP 29 H ASP 29 -1.460 8.290 -17.884 232 HA ASP 29 HA ASP 29 -1.264 6.156 -16.046 233 HB2 ASP 29 2HB ASP 29 -2.469 5.832 -18.089 234 HB3 ASP 29 1HB ASP 29 -1.053 6.229 -19.055 235 H ASP 30 H ASP 30 1.115 7.685 -18.119 236 HA ASP 30 HA ASP 30 3.123 5.743 -17.959 237 HB2 ASP 30 2HB ASP 30 3.243 7.502 -19.595 238 HB3 ASP 30 1HB ASP 30 3.339 8.726 -18.335 239 H SER 31 H SER 31 2.670 8.663 -15.955 240 HA SER 31 HA SER 31 4.855 8.064 -14.240 241 HB2 SER 31 2HB SER 31 2.460 9.830 -13.683 242 HB3 SER 31 1HB SER 31 3.999 9.852 -12.821 243 HG SER 31 HG SER 31 3.386 10.686 -15.433 244 H LEU 32 H LEU 32 1.501 7.164 -14.296 245 HA LEU 32 HA LEU 32 1.105 6.414 -11.628 246 HB2 LEU 32 2HB LEU 32 -0.638 6.631 -13.417 247 HB3 LEU 32 1HB LEU 32 -0.068 5.123 -14.094 248 HG LEU 32 HG LEU 32 -0.625 4.127 -11.769 249 HD11 LEU 32 1HD1 LEU 32 -2.428 5.264 -10.594 250 HD12 LEU 32 2HD1 LEU 32 -2.312 6.622 -11.712 251 HD13 LEU 32 3HD1 LEU 32 -0.970 6.256 -10.630 252 HD21 LEU 32 1HD2 LEU 32 -2.929 3.719 -12.464 253 HD22 LEU 32 2HD2 LEU 32 -1.817 3.585 -13.827 254 HD23 LEU 32 3HD2 LEU 32 -2.814 5.029 -13.640 255 H GLU 33 H GLU 33 2.227 4.509 -14.420 256 HA GLU 33 HA GLU 33 2.537 2.068 -13.041 257 HB2 GLU 33 2HB GLU 33 3.861 3.112 -15.541 258 HB3 GLU 33 1HB GLU 33 4.065 1.473 -14.948 259 HG2 GLU 33 2HG GLU 33 1.418 2.696 -15.682 260 HG3 GLU 33 1HG GLU 33 2.394 1.701 -16.758 261 H GLN 34 H GLN 34 4.750 4.756 -13.589 262 HA GLN 34 HA GLN 34 7.101 3.508 -12.668 263 HB2 GLN 34 2HB GLN 34 6.359 6.436 -12.622 264 HB3 GLN 34 1HB GLN 34 7.983 5.793 -12.411 265 HG2 GLN 34 2HG GLN 34 7.961 4.908 -14.655 266 HG3 GLN 34 1HG GLN 34 6.296 5.442 -14.875 267 HE21 GLN 34 1HE2 GLN 34 8.685 6.108 -16.381 268 HE22 GLN 34 2HE2 GLN 34 8.820 7.832 -16.320 269 H VAL 35 H VAL 35 4.737 5.541 -10.986 270 HA VAL 35 HA VAL 35 6.038 5.455 -8.472 271 HB VAL 35 HB VAL 35 3.124 5.986 -9.117 272 HG11 VAL 35 1HG1 VAL 35 3.385 5.336 -6.776 273 HG12 VAL 35 2HG1 VAL 35 3.022 7.057 -6.905 274 HG13 VAL 35 3HG1 VAL 35 4.671 6.526 -6.577 275 HG21 VAL 35 1HG2 VAL 35 3.770 8.344 -8.852 276 HG22 VAL 35 2HG2 VAL 35 4.632 7.560 -10.175 277 HG23 VAL 35 3HG2 VAL 35 5.448 7.846 -8.638 278 H LEU 36 H LEU 36 3.687 3.348 -10.017 279 HA LEU 36 HA LEU 36 2.959 1.866 -7.761 280 HB2 LEU 36 2HB LEU 36 3.097 1.093 -10.664 281 HB3 LEU 36 1HB LEU 36 2.463 0.029 -9.423 282 HG LEU 36 HG LEU 36 1.335 2.754 -10.065 283 HD11 LEU 36 1HD1 LEU 36 -0.504 1.543 -11.101 284 HD12 LEU 36 2HD1 LEU 36 0.347 0.022 -10.836 285 HD13 LEU 36 3HD1 LEU 36 1.023 1.231 -11.926 286 HD21 LEU 36 1HD2 LEU 36 0.338 0.513 -8.316 287 HD22 LEU 36 2HD2 LEU 36 -0.574 1.964 -8.728 288 HD23 LEU 36 3HD2 LEU 36 0.905 2.095 -7.779 289 H GLU 37 H GLU 37 5.711 1.478 -9.973 290 HA GLU 37 HA GLU 37 6.692 -0.906 -8.818 291 HB2 GLU 37 2HB GLU 37 8.129 1.311 -10.277 292 HB3 GLU 37 1HB GLU 37 8.915 -0.176 -9.767 293 HG2 GLU 37 2HG GLU 37 7.221 -1.420 -11.122 294 HG3 GLU 37 1HG GLU 37 6.689 0.136 -11.757 295 H GLU 38 H GLU 38 7.221 2.482 -8.071 296 HA GLU 38 HA GLU 38 9.140 2.178 -6.049 297 HB2 GLU 38 2HB GLU 38 7.024 4.258 -6.568 298 HB3 GLU 38 1HB GLU 38 8.105 4.385 -5.195 299 HG2 GLU 38 2HG GLU 38 8.993 4.227 -8.063 300 HG3 GLU 38 1HG GLU 38 8.799 5.722 -7.147 301 H ILE 39 H ILE 39 5.652 2.126 -6.010 302 HA ILE 39 HA ILE 39 5.317 1.858 -3.227 303 HB ILE 39 HB ILE 39 3.510 1.055 -5.514 304 HG12 ILE 39 2HG1 ILE 39 3.447 3.452 -3.671 305 HG13 ILE 39 1HG1 ILE 39 4.037 3.467 -5.328 306 HG21 ILE 39 1HG2 ILE 39 2.883 1.254 -2.572 307 HG22 ILE 39 2HG2 ILE 39 2.957 -0.228 -3.525 308 HG23 ILE 39 3HG2 ILE 39 1.709 0.973 -3.859 309 HD11 ILE 39 1HD1 ILE 39 1.788 4.370 -5.161 310 HD12 ILE 39 2HD1 ILE 39 1.220 2.851 -4.469 311 HD13 ILE 39 3HD1 ILE 39 1.814 2.899 -6.129 312 H GLU 40 H GLU 40 5.768 -0.461 -5.837 313 HA GLU 40 HA GLU 40 5.080 -2.804 -4.454 314 HB2 GLU 40 2HB GLU 40 7.032 -2.358 -6.714 315 HB3 GLU 40 1HB GLU 40 6.592 -3.953 -6.118 316 HG2 GLU 40 2HG GLU 40 4.276 -3.571 -6.737 317 HG3 GLU 40 1HG GLU 40 4.672 -1.937 -7.269 318 H GLU 41 H GLU 41 8.132 -1.067 -4.694 319 HA GLU 41 HA GLU 41 9.675 -2.896 -3.219 320 HB2 GLU 41 2HB GLU 41 9.963 0.062 -3.688 321 HB3 GLU 41 1HB GLU 41 11.158 -0.916 -2.858 322 HG2 GLU 41 2HG GLU 41 11.377 -2.303 -4.889 323 HG3 GLU 41 1HG GLU 41 10.265 -1.205 -5.710 324 H LEU 42 H LEU 42 7.712 -0.122 -2.304 325 HA LEU 42 HA LEU 42 8.483 -0.015 0.414 326 HB2 LEU 42 2HB LEU 42 5.907 0.879 -0.874 327 HB3 LEU 42 1HB LEU 42 6.451 1.331 0.729 328 HG LEU 42 HG LEU 42 7.843 2.057 -1.846 329 HD11 LEU 42 1HD1 LEU 42 7.057 4.319 -1.374 330 HD12 LEU 42 2HD1 LEU 42 6.157 3.717 0.015 331 HD13 LEU 42 3HD1 LEU 42 5.714 3.204 -1.613 332 HD21 LEU 42 1HD2 LEU 42 8.374 2.876 1.009 333 HD22 LEU 42 2HD2 LEU 42 9.166 3.554 -0.413 334 HD23 LEU 42 3HD2 LEU 42 9.406 1.858 0.002 335 H ILE 43 H ILE 43 5.887 -1.681 -1.286 336 HA ILE 43 HA ILE 43 4.484 -2.674 0.930 337 HB ILE 43 HB ILE 43 4.848 -3.928 -1.806 338 HG12 ILE 43 2HG1 ILE 43 2.556 -2.266 -0.735 339 HG13 ILE 43 1HG1 ILE 43 3.838 -1.640 -1.765 340 HG21 ILE 43 1HG2 ILE 43 2.792 -4.524 0.325 341 HG22 ILE 43 2HG2 ILE 43 4.098 -5.591 -0.193 342 HG23 ILE 43 3HG2 ILE 43 2.795 -5.187 -1.311 343 HD11 ILE 43 1HD1 ILE 43 1.878 -3.802 -2.510 344 HD12 ILE 43 2HD1 ILE 43 3.148 -3.156 -3.548 345 HD13 ILE 43 3HD1 ILE 43 1.817 -2.119 -3.034 346 H GLN 44 H GLN 44 7.170 -4.055 -0.924 347 HA GLN 44 HA GLN 44 7.305 -6.446 0.575 348 HB2 GLN 44 2HB GLN 44 9.385 -5.118 -1.157 349 HB3 GLN 44 1HB GLN 44 9.523 -6.742 -0.494 350 HG2 GLN 44 2HG GLN 44 7.451 -7.355 -1.709 351 HG3 GLN 44 1HG GLN 44 7.462 -5.759 -2.452 352 HE21 GLN 44 1HE2 GLN 44 7.651 -8.397 -3.662 353 HE22 GLN 44 2HE2 GLN 44 9.122 -8.411 -4.564 354 H LYS 45 H LYS 45 8.997 -3.340 0.855 355 HA LYS 45 HA LYS 45 10.792 -4.088 2.894 356 HB2 LYS 45 2HB LYS 45 9.515 -1.417 2.284 357 HB3 LYS 45 1HB LYS 45 10.746 -1.637 3.514 358 HG2 LYS 45 2HG LYS 45 12.331 -2.364 1.819 359 HG3 LYS 45 1HG LYS 45 11.088 -2.192 0.578 360 HD2 LYS 45 2HD LYS 45 12.580 -0.249 0.600 361 HD3 LYS 45 1HD LYS 45 10.938 0.207 1.051 362 HE2 LYS 45 2HE LYS 45 11.554 0.252 3.393 363 HE3 LYS 45 1HE LYS 45 13.171 -0.336 3.012 364 HZ1 LYS 45 1HZ LYS 45 12.032 2.259 2.117 365 HZ2 LYS 45 2HZ LYS 45 13.594 1.706 1.803 366 HZ3 LYS 45 3HZ LYS 45 13.128 2.058 3.385 367 H HIS 46 H HIS 46 7.523 -2.794 3.004 368 HA HIS 46 HA HIS 46 7.303 -2.532 5.785 369 HB2 HIS 46 2HB HIS 46 5.770 -1.531 4.063 370 HB3 HIS 46 1HB HIS 46 5.071 -3.129 3.832 371 HD1 HIS 46 1HD HIS 46 4.558 -0.106 5.711 372 HD2 HIS 46 2HD HIS 46 3.990 -4.150 6.383 373 HE1 HIS 46 1HE HIS 46 2.915 -0.273 7.618 374 H ARG 47 H ARG 47 6.369 -5.196 3.623 375 HA ARG 47 HA ARG 47 5.423 -6.842 5.723 376 HB2 ARG 47 2HB ARG 47 6.270 -7.507 2.907 377 HB3 ARG 47 1HB ARG 47 5.626 -8.701 4.024 378 HG2 ARG 47 2HG ARG 47 4.212 -6.282 2.918 379 HG3 ARG 47 1HG ARG 47 3.844 -7.981 2.612 380 HD2 ARG 47 2HD ARG 47 3.379 -8.216 5.076 381 HD3 ARG 47 1HD ARG 47 3.519 -6.464 5.196 382 HE ARG 47 HE ARG 47 1.519 -7.761 3.461 383 HH11 ARG 47 1HH1 ARG 47 2.360 -5.370 5.901 384 HH12 ARG 47 2HH1 ARG 47 0.753 -4.766 6.057 385 HH21 ARG 47 1HH2 ARG 47 -0.631 -6.978 3.688 386 HH22 ARG 47 2HH2 ARG 47 -0.966 -5.690 4.787 387 H GLN 48 H GLN 48 8.586 -6.443 4.227 388 HA GLN 48 HA GLN 48 9.783 -8.690 5.422 389 HB2 GLN 48 2HB GLN 48 10.740 -7.479 3.497 390 HB3 GLN 48 1HB GLN 48 11.062 -6.100 4.536 391 HG2 GLN 48 2HG GLN 48 13.043 -7.461 4.104 392 HG3 GLN 48 1HG GLN 48 12.645 -7.371 5.819 393 HE21 GLN 48 1HE2 GLN 48 11.883 -9.199 6.864 394 HE22 GLN 48 2HE2 GLN 48 12.022 -10.790 6.202 395 H LEU 49 H LEU 49 9.328 -5.355 6.496 396 HA LEU 49 HA LEU 49 10.922 -5.503 8.809 397 HB2 LEU 49 2HB LEU 49 8.478 -3.850 8.197 398 HB3 LEU 49 1HB LEU 49 9.418 -3.664 9.663 399 HG LEU 49 HG LEU 49 10.450 -3.219 6.862 400 HD11 LEU 49 1HD1 LEU 49 8.848 -1.521 7.536 401 HD12 LEU 49 2HD1 LEU 49 10.481 -0.859 7.499 402 HD13 LEU 49 3HD1 LEU 49 9.731 -1.269 9.041 403 HD21 LEU 49 1HD2 LEU 49 12.215 -3.985 8.339 404 HD22 LEU 49 2HD2 LEU 49 11.741 -2.804 9.559 405 HD23 LEU 49 3HD2 LEU 49 12.410 -2.261 8.023 406 H PHE 50 H PHE 50 7.567 -6.353 8.205 407 HA PHE 50 HA PHE 50 6.935 -7.007 10.901 408 HB2 PHE 50 2HB PHE 50 5.207 -6.490 9.213 409 HB3 PHE 50 1HB PHE 50 5.641 -7.944 8.325 410 HD1 PHE 50 1HD PHE 50 4.260 -6.727 11.540 411 HD2 PHE 50 2HD PHE 50 4.679 -10.013 8.867 412 HE1 PHE 50 1HE PHE 50 2.620 -8.002 12.857 413 HE2 PHE 50 2HE PHE 50 3.041 -11.294 10.180 414 HZ PHE 50 HZ PHE 50 2.008 -10.289 12.177 415 H ASP 51 H ASP 51 7.982 -8.870 8.096 416 HA ASP 51 HA ASP 51 7.916 -11.433 9.255 417 HB2 ASP 51 2HB ASP 51 8.032 -11.194 6.867 418 HB3 ASP 51 1HB ASP 51 9.536 -10.289 6.974 419 H ASN 52 H ASN 52 10.346 -8.916 9.269 420 HA ASN 52 HA ASN 52 12.347 -10.554 10.550 421 HB2 ASN 52 2HB ASN 52 13.086 -8.759 9.090 422 HB3 ASN 52 1HB ASN 52 12.197 -7.571 10.035 423 HD21 ASN 52 1HD2 ASN 52 13.038 -6.871 11.982 424 HD22 ASN 52 2HD2 ASN 52 14.662 -7.187 12.465 425 H ARG 53 H ARG 53 9.817 -8.386 11.496 426 HA ARG 53 HA ARG 53 10.637 -7.865 14.154 427 HB2 ARG 53 2HB ARG 53 9.001 -6.444 13.153 428 HB3 ARG 53 1HB ARG 53 7.955 -7.802 12.777 429 HG2 ARG 53 2HG ARG 53 7.587 -8.139 15.196 430 HG3 ARG 53 1HG ARG 53 8.555 -6.697 15.510 431 HD2 ARG 53 2HD ARG 53 6.997 -5.309 14.357 432 HD3 ARG 53 1HD ARG 53 6.109 -6.709 13.756 433 HE ARG 53 HE ARG 53 6.130 -6.774 16.558 434 HH11 ARG 53 1HH1 ARG 53 4.737 -4.874 13.947 435 HH12 ARG 53 2HH1 ARG 53 3.330 -4.439 14.858 436 HH21 ARG 53 1HH2 ARG 53 4.245 -6.206 17.733 437 HH22 ARG 53 2HH2 ARG 53 3.037 -5.201 16.990 438 H GLN 54 H GLN 54 8.692 -10.396 12.675 439 HA GLN 54 HA GLN 54 9.106 -12.063 14.992 440 HB2 GLN 54 2HB GLN 54 6.646 -12.652 15.085 441 HB3 GLN 54 1HB GLN 54 7.075 -11.070 15.714 442 HG2 GLN 54 2HG GLN 54 6.324 -10.037 13.632 443 HG3 GLN 54 1HG GLN 54 5.902 -11.626 12.998 444 HE21 GLN 54 1HE2 GLN 54 5.090 -9.150 15.293 445 HE22 GLN 54 2HE2 GLN 54 3.496 -9.718 15.642 446 H GLU 55 H GLU 55 9.712 -13.963 14.273 447 HA GLU 55 HA GLU 55 9.349 -14.618 11.506 448 HB2 GLU 55 2HB GLU 55 10.559 -16.391 13.625 449 HB3 GLU 55 1HB GLU 55 10.818 -16.459 11.891 450 HG2 GLU 55 2HG GLU 55 12.745 -15.439 12.507 451 HG3 GLU 55 1HG GLU 55 11.736 -14.012 12.294 452 H ALA 56 H ALA 56 7.240 -15.015 11.149 453 HA ALA 56 HA ALA 56 5.898 -17.081 12.717 454 HB1 ALA 56 1HB ALA 56 4.670 -15.002 12.308 455 HB2 ALA 56 2HB ALA 56 3.879 -16.365 11.515 456 HB3 ALA 56 3HB ALA 56 4.845 -15.234 10.568 457 H ALA 57 H ALA 57 4.257 -18.284 10.945 458 HA ALA 57 HA ALA 57 6.062 -19.905 9.428 459 HB1 ALA 57 1HB ALA 57 4.141 -21.199 8.804 460 HB2 ALA 57 2HB ALA 57 3.052 -19.911 9.294 461 HB3 ALA 57 3HB ALA 57 3.983 -20.782 10.510 462 H ASP 58 H ASP 58 5.861 -20.271 7.103 463 HA ASP 58 HA ASP 58 6.109 -17.865 5.670 464 HB2 ASP 58 2HB ASP 58 7.121 -20.105 5.063 465 HB3 ASP 58 1HB ASP 58 5.536 -20.568 4.454 466 H THR 59 H THR 59 3.465 -20.142 5.997 467 HA THR 59 HA THR 59 1.731 -19.022 4.087 468 HB THR 59 HB THR 59 -0.058 -20.152 5.549 469 HG1 THR 59 1HG THR 59 1.979 -21.627 6.740 470 HG21 THR 59 1HG2 THR 59 0.852 -21.194 3.544 471 HG22 THR 59 2HG2 THR 59 0.657 -22.400 4.817 472 HG23 THR 59 3HG2 THR 59 2.256 -21.755 4.451 473 H GLU 60 H GLU 60 2.367 -18.253 7.448 474 HA GLU 60 HA GLU 60 0.093 -16.580 7.802 475 HB2 GLU 60 2HB GLU 60 2.690 -16.646 9.345 476 HB3 GLU 60 1HB GLU 60 1.220 -15.823 9.851 477 HG2 GLU 60 2HG GLU 60 0.063 -18.011 9.856 478 HG3 GLU 60 1HG GLU 60 1.602 -18.785 9.508 479 H ALA 61 H ALA 61 3.472 -16.013 6.954 480 HA ALA 61 HA ALA 61 3.280 -13.195 6.774 481 HB1 ALA 61 1HB ALA 61 5.348 -13.339 5.456 482 HB2 ALA 61 2HB ALA 61 5.134 -15.082 5.307 483 HB3 ALA 61 3HB ALA 61 5.436 -14.363 6.889 484 H ALA 62 H ALA 62 2.793 -15.830 4.500 485 HA ALA 62 HA ALA 62 2.305 -14.299 2.205 486 HB1 ALA 62 1HB ALA 62 2.784 -16.701 2.139 487 HB2 ALA 62 2HB ALA 62 1.285 -16.318 1.293 488 HB3 ALA 62 3HB ALA 62 1.230 -17.030 2.906 489 H LYS 63 H LYS 63 0.205 -15.346 4.833 490 HA LYS 63 HA LYS 63 -2.275 -14.722 3.655 491 HB2 LYS 63 2HB LYS 63 -2.134 -16.054 5.678 492 HB3 LYS 63 1HB LYS 63 -1.434 -14.704 6.559 493 HG2 LYS 63 2HG LYS 63 -3.570 -13.450 6.135 494 HG3 LYS 63 1HG LYS 63 -4.244 -14.955 5.516 495 HD2 LYS 63 2HD LYS 63 -3.143 -14.512 8.295 496 HD3 LYS 63 1HD LYS 63 -4.849 -14.601 7.863 497 HE2 LYS 63 2HE LYS 63 -4.447 -16.914 7.033 498 HE3 LYS 63 1HE LYS 63 -2.799 -16.798 7.644 499 HZ1 LYS 63 1HZ LYS 63 -3.692 -16.455 9.872 500 HZ2 LYS 63 2HZ LYS 63 -4.233 -17.918 9.220 501 HZ3 LYS 63 3HZ LYS 63 -5.270 -16.589 9.277 502 H GLN 64 H GLN 64 -0.095 -12.769 5.644 503 HA GLN 64 HA GLN 64 -1.794 -10.491 5.705 504 HB2 GLN 64 2HB GLN 64 -0.018 -10.978 7.386 505 HB3 GLN 64 1HB GLN 64 1.195 -10.640 6.163 506 HG2 GLN 64 2HG GLN 64 0.840 -8.772 7.724 507 HG3 GLN 64 1HG GLN 64 0.517 -8.341 6.046 508 HE21 GLN 64 1HE2 GLN 64 -0.908 -8.971 9.171 509 HE22 GLN 64 2HE2 GLN 64 -2.445 -8.266 8.819 510 H GLY 65 H GLY 65 0.879 -11.519 3.659 511 HA2 GLY 65 2HA GLY 65 1.025 -9.107 2.150 512 HA3 GLY 65 1HA GLY 65 1.698 -10.663 1.689 513 H ASP 66 H ASP 66 -0.569 -12.219 1.599 514 HA ASP 66 HA ASP 66 -1.433 -11.759 -1.025 515 HB2 ASP 66 2HB ASP 66 -1.334 -13.977 0.027 516 HB3 ASP 66 1HB ASP 66 -2.679 -13.538 1.070 517 H GLN 67 H GLN 67 -2.976 -10.987 2.050 518 HA GLN 67 HA GLN 67 -5.512 -10.350 0.988 519 HB2 GLN 67 2HB GLN 67 -5.184 -10.679 3.377 520 HB3 GLN 67 1HB GLN 67 -4.112 -9.288 3.447 521 HG2 GLN 67 2HG GLN 67 -5.974 -7.827 2.826 522 HG3 GLN 67 1HG GLN 67 -7.045 -9.226 2.784 523 HE21 GLN 67 1HE2 GLN 67 -8.356 -8.356 4.366 524 HE22 GLN 67 2HE2 GLN 67 -7.877 -8.293 6.027 525 H TRP 68 H TRP 68 -2.622 -8.409 1.564 526 HA TRP 68 HA TRP 68 -3.743 -5.975 0.670 527 HB2 TRP 68 2HB TRP 68 -1.806 -6.024 2.147 528 HB3 TRP 68 1HB TRP 68 -0.869 -6.879 0.927 529 HD1 TRP 68 HD TRP 68 0.218 -5.487 -0.954 530 HE1 TRP 68 1HE TRP 68 0.491 -2.953 -1.373 531 HE3 TRP 68 3HE TRP 68 -3.091 -3.739 2.510 532 HZ2 TRP 68 2HZ TRP 68 -0.566 -0.546 -0.359 533 HZ3 TRP 68 3HZ TRP 68 -3.404 -1.304 2.722 534 HH2 TRP 68 HH TRP 68 -2.168 0.252 1.318 535 H VAL 69 H VAL 69 -1.832 -8.535 -0.832 536 HA VAL 69 HA VAL 69 -1.441 -7.328 -3.330 537 HB VAL 69 HB VAL 69 -1.599 -10.275 -2.635 538 HG11 VAL 69 1HG1 VAL 69 -0.549 -8.968 -5.144 539 HG12 VAL 69 2HG1 VAL 69 -2.020 -9.930 -5.020 540 HG13 VAL 69 3HG1 VAL 69 -0.448 -10.685 -4.751 541 HG21 VAL 69 1HG2 VAL 69 0.199 -9.080 -1.500 542 HG22 VAL 69 2HG2 VAL 69 0.760 -8.436 -3.043 543 HG23 VAL 69 3HG2 VAL 69 0.848 -10.170 -2.724 544 H GLN 70 H GLN 70 -4.124 -9.259 -2.082 545 HA GLN 70 HA GLN 70 -5.508 -9.622 -4.494 546 HB2 GLN 70 2HB GLN 70 -6.057 -10.830 -2.428 547 HB3 GLN 70 1HB GLN 70 -6.611 -9.334 -1.692 548 HG2 GLN 70 2HG GLN 70 -8.380 -9.180 -3.391 549 HG3 GLN 70 1HG GLN 70 -7.841 -10.717 -4.064 550 HE21 GLN 70 1HE2 GLN 70 -10.410 -9.969 -2.893 551 HE22 GLN 70 2HE2 GLN 70 -10.683 -11.080 -1.600 552 H LEU 71 H LEU 71 -5.552 -6.962 -2.158 553 HA LEU 71 HA LEU 71 -7.610 -5.459 -3.363 554 HB2 LEU 71 2HB LEU 71 -6.280 -5.250 -1.060 555 HB3 LEU 71 1HB LEU 71 -5.303 -4.138 -1.995 556 HG LEU 71 HG LEU 71 -8.272 -3.883 -1.571 557 HD11 LEU 71 1HD1 LEU 71 -7.084 -3.583 0.519 558 HD12 LEU 71 2HD1 LEU 71 -7.695 -2.032 -0.060 559 HD13 LEU 71 3HD1 LEU 71 -5.987 -2.433 -0.245 560 HD21 LEU 71 1HD2 LEU 71 -7.528 -2.823 -3.640 561 HD22 LEU 71 2HD2 LEU 71 -6.274 -1.955 -2.758 562 HD23 LEU 71 3HD2 LEU 71 -7.973 -1.604 -2.446 563 H PHE 72 H PHE 72 -4.093 -5.432 -3.669 564 HA PHE 72 HA PHE 72 -3.890 -3.347 -5.549 565 HB2 PHE 72 2HB PHE 72 -2.032 -4.253 -4.122 566 HB3 PHE 72 1HB PHE 72 -1.991 -5.671 -5.160 567 HD1 PHE 72 1HD PHE 72 -1.685 -1.967 -5.264 568 HD2 PHE 72 2HD PHE 72 -0.599 -5.692 -7.016 569 HE1 PHE 72 1HE PHE 72 -0.101 -0.805 -6.741 570 HE2 PHE 72 2HE PHE 72 0.987 -4.533 -8.501 571 HZ PHE 72 HZ PHE 72 1.238 -2.087 -8.363 572 H GLN 73 H GLN 73 -4.242 -6.835 -5.892 573 HA GLN 73 HA GLN 73 -3.839 -7.062 -8.657 574 HB2 GLN 73 2HB GLN 73 -3.906 -8.971 -7.098 575 HB3 GLN 73 1HB GLN 73 -5.626 -8.712 -6.859 576 HG2 GLN 73 2HG GLN 73 -5.272 -10.546 -8.371 577 HG3 GLN 73 1HG GLN 73 -6.013 -9.198 -9.233 578 HE21 GLN 73 1HE2 GLN 73 -3.123 -11.064 -8.776 579 HE22 GLN 73 2HE2 GLN 73 -2.313 -10.526 -10.208 580 H ARG 74 H ARG 74 -6.811 -6.555 -6.779 581 HA ARG 74 HA ARG 74 -8.590 -6.517 -8.954 582 HB2 ARG 74 2HB ARG 74 -8.757 -5.171 -6.250 583 HB3 ARG 74 1HB ARG 74 -10.083 -5.197 -7.403 584 HG2 ARG 74 2HG ARG 74 -10.103 -7.654 -7.302 585 HG3 ARG 74 1HG ARG 74 -8.802 -7.600 -6.112 586 HD2 ARG 74 2HD ARG 74 -11.476 -6.261 -5.737 587 HD3 ARG 74 1HD ARG 74 -11.111 -7.885 -5.166 588 HE ARG 74 HE ARG 74 -9.290 -6.777 -3.825 589 HH11 ARG 74 1HH1 ARG 74 -12.181 -4.987 -4.758 590 HH12 ARG 74 2HH1 ARG 74 -12.142 -3.946 -3.369 591 HH21 ARG 74 1HH2 ARG 74 -9.287 -5.415 -1.956 592 HH22 ARG 74 2HH2 ARG 74 -10.521 -4.205 -1.775 593 H PHE 75 H PHE 75 -6.615 -4.043 -7.482 594 HA PHE 75 HA PHE 75 -7.658 -1.829 -8.892 595 HB2 PHE 75 2HB PHE 75 -6.319 -1.670 -6.807 596 HB3 PHE 75 1HB PHE 75 -4.904 -2.214 -7.694 597 HD1 PHE 75 1HD PHE 75 -7.518 0.444 -7.884 598 HD2 PHE 75 2HD PHE 75 -3.431 -0.612 -8.421 599 HE1 PHE 75 1HE PHE 75 -6.989 2.785 -8.420 600 HE2 PHE 75 2HE PHE 75 -2.894 1.728 -8.962 601 HZ PHE 75 HZ PHE 75 -4.674 3.430 -8.961 602 H ARG 76 H ARG 76 -4.873 -3.953 -9.481 603 HA ARG 76 HA ARG 76 -3.927 -2.648 -11.793 604 HB2 ARG 76 2HB ARG 76 -3.630 -5.518 -10.911 605 HB3 ARG 76 1HB ARG 76 -2.773 -4.820 -12.277 606 HG2 ARG 76 2HG ARG 76 -2.565 -3.853 -9.436 607 HG3 ARG 76 1HG ARG 76 -1.414 -4.925 -10.234 608 HD2 ARG 76 2HD ARG 76 -2.116 -2.152 -11.192 609 HD3 ARG 76 1HD ARG 76 -0.713 -2.540 -10.202 610 HE ARG 76 HE ARG 76 -0.384 -4.194 -12.290 611 HH11 ARG 76 1HH1 ARG 76 -1.176 -0.783 -12.210 612 HH12 ARG 76 2HH1 ARG 76 -0.255 -0.397 -13.628 613 HH21 ARG 76 1HH2 ARG 76 0.816 -3.687 -14.179 614 HH22 ARG 76 2HH2 ARG 76 0.875 -2.044 -14.743 615 H GLU 77 H GLU 77 -6.157 -5.380 -11.433 616 HA GLU 77 HA GLU 77 -6.492 -5.931 -14.163 617 HB2 GLU 77 2HB GLU 77 -7.227 -7.447 -12.370 618 HB3 GLU 77 1HB GLU 77 -8.465 -6.294 -11.898 619 HG2 GLU 77 2HG GLU 77 -9.524 -7.992 -13.156 620 HG3 GLU 77 1HG GLU 77 -9.462 -6.556 -14.175 621 H ALA 78 H ALA 78 -8.314 -3.816 -11.981 622 HA ALA 78 HA ALA 78 -10.247 -3.005 -13.840 623 HB1 ALA 78 1HB ALA 78 -9.214 -1.521 -11.429 624 HB2 ALA 78 2HB ALA 78 -10.532 -2.693 -11.444 625 HB3 ALA 78 3HB ALA 78 -10.704 -1.160 -12.299 626 H ILE 79 H ILE 79 -7.016 -1.747 -13.146 627 HA ILE 79 HA ILE 79 -7.211 0.618 -14.691 628 HB ILE 79 HB ILE 79 -4.752 -1.056 -14.100 629 HG12 ILE 79 2HG1 ILE 79 -5.789 1.449 -12.759 630 HG13 ILE 79 1HG1 ILE 79 -5.865 -0.177 -12.087 631 HG21 ILE 79 1HG2 ILE 79 -3.470 0.968 -14.642 632 HG22 ILE 79 2HG2 ILE 79 -4.961 1.768 -15.140 633 HG23 ILE 79 3HG2 ILE 79 -4.375 0.362 -16.028 634 HD11 ILE 79 1HD1 ILE 79 -3.427 -0.270 -12.041 635 HD12 ILE 79 2HD1 ILE 79 -4.045 1.095 -11.112 636 HD13 ILE 79 3HD1 ILE 79 -3.355 1.358 -12.713 637 H ASP 80 H ASP 80 -6.117 -2.646 -15.471 638 HA ASP 80 HA ASP 80 -5.266 -2.127 -18.100 639 HB2 ASP 80 2HB ASP 80 -4.641 -4.150 -16.818 640 HB3 ASP 80 1HB ASP 80 -6.295 -4.733 -16.957 641 H LYS 81 H LYS 81 -8.408 -3.015 -16.794 642 HA LYS 81 HA LYS 81 -9.525 -3.217 -19.466 643 HB2 LYS 81 2HB LYS 81 -10.588 -3.783 -16.727 644 HB3 LYS 81 1HB LYS 81 -11.710 -3.550 -18.059 645 HG2 LYS 81 2HG LYS 81 -11.238 -5.914 -17.695 646 HG3 LYS 81 1HG LYS 81 -10.671 -5.388 -19.280 647 HD2 LYS 81 2HD LYS 81 -8.395 -5.116 -18.280 648 HD3 LYS 81 1HD LYS 81 -9.017 -5.849 -16.803 649 HE2 LYS 81 2HE LYS 81 -9.534 -7.887 -17.993 650 HE3 LYS 81 1HE LYS 81 -9.039 -7.152 -19.518 651 HZ1 LYS 81 1HZ LYS 81 -7.287 -7.651 -17.177 652 HZ2 LYS 81 2HZ LYS 81 -6.800 -6.924 -18.632 653 HZ3 LYS 81 3HZ LYS 81 -7.288 -8.546 -18.620 654 H GLY 82 H GLY 82 -8.845 -0.720 -17.438 655 HA2 GLY 82 2HA GLY 82 -9.325 1.521 -17.668 656 HA3 GLY 82 1HA GLY 82 -10.328 1.116 -19.049 657 H ASP 83 H ASP 83 -10.804 -0.235 -15.853 658 HA ASP 83 HA ASP 83 -13.462 0.936 -15.814 659 HB2 ASP 83 2HB ASP 83 -12.131 -1.189 -14.148 660 HB3 ASP 83 1HB ASP 83 -13.672 -0.480 -13.673 661 H LYS 84 H LYS 84 -12.745 3.085 -15.536 662 HA LYS 84 HA LYS 84 -11.163 3.975 -13.394 663 HB2 LYS 84 2HB LYS 84 -11.528 5.370 -15.337 664 HB3 LYS 84 1HB LYS 84 -13.253 5.432 -15.016 665 HG2 LYS 84 2HG LYS 84 -12.814 6.660 -12.939 666 HG3 LYS 84 1HG LYS 84 -11.087 6.622 -13.296 667 HD2 LYS 84 2HD LYS 84 -11.460 7.900 -15.330 668 HD3 LYS 84 1HD LYS 84 -13.200 7.891 -15.035 669 HE2 LYS 84 2HE LYS 84 -11.151 9.098 -13.184 670 HE3 LYS 84 1HE LYS 84 -12.080 10.009 -14.370 671 HZ1 LYS 84 1HZ LYS 84 -13.021 10.098 -12.112 672 HZ2 LYS 84 2HZ LYS 84 -13.295 8.430 -12.150 673 HZ3 LYS 84 3HZ LYS 84 -14.099 9.448 -13.234 674 H ASP 85 H ASP 85 -14.662 3.568 -13.693 675 HA ASP 85 HA ASP 85 -15.396 4.849 -11.309 676 HB2 ASP 85 2HB ASP 85 -17.501 3.615 -11.445 677 HB3 ASP 85 1HB ASP 85 -17.037 4.186 -13.041 678 H SER 86 H SER 86 -14.386 1.555 -11.955 679 HA SER 86 HA SER 86 -14.786 0.637 -9.305 680 HB2 SER 86 2HB SER 86 -12.946 -0.503 -11.413 681 HB3 SER 86 1HB SER 86 -13.665 -1.356 -10.044 682 HG SER 86 HG SER 86 -15.659 -0.250 -11.365 683 H LEU 87 H LEU 87 -12.071 2.008 -11.094 684 HA LEU 87 HA LEU 87 -10.016 1.506 -9.260 685 HB2 LEU 87 2HB LEU 87 -10.353 3.763 -11.227 686 HB3 LEU 87 1HB LEU 87 -8.872 3.445 -10.347 687 HG LEU 87 HG LEU 87 -10.164 1.552 -12.307 688 HD11 LEU 87 1HD1 LEU 87 -8.326 2.102 -13.780 689 HD12 LEU 87 2HD1 LEU 87 -7.684 3.237 -12.595 690 HD13 LEU 87 3HD1 LEU 87 -9.230 3.562 -13.378 691 HD21 LEU 87 1HD2 LEU 87 -8.940 0.405 -10.565 692 HD22 LEU 87 2HD2 LEU 87 -7.539 1.439 -10.851 693 HD23 LEU 87 3HD2 LEU 87 -8.078 0.314 -12.100 694 H GLU 88 H GLU 88 -12.101 4.372 -9.581 695 HA GLU 88 HA GLU 88 -10.882 5.726 -7.430 696 HB2 GLU 88 2HB GLU 88 -12.947 7.182 -7.492 697 HB3 GLU 88 1HB GLU 88 -12.016 7.086 -8.975 698 HG2 GLU 88 2HG GLU 88 -13.675 5.328 -9.730 699 HG3 GLU 88 1HG GLU 88 -14.658 5.818 -8.349 700 H GLN 89 H GLN 89 -13.621 3.524 -7.576 701 HA GLN 89 HA GLN 89 -14.404 3.855 -4.869 702 HB2 GLN 89 2HB GLN 89 -14.787 1.574 -6.806 703 HB3 GLN 89 1HB GLN 89 -15.456 1.570 -5.181 704 HG2 GLN 89 2HG GLN 89 -16.752 3.569 -5.700 705 HG3 GLN 89 1HG GLN 89 -16.066 3.594 -7.324 706 HE21 GLN 89 1HE2 GLN 89 -18.840 3.338 -6.388 707 HE22 GLN 89 2HE2 GLN 89 -19.446 1.888 -7.105 708 H LEU 90 H LEU 90 -12.045 1.817 -6.481 709 HA LEU 90 HA LEU 90 -11.332 0.232 -4.252 710 HB2 LEU 90 2HB LEU 90 -9.767 1.001 -6.713 711 HB3 LEU 90 1HB LEU 90 -9.200 -0.154 -5.524 712 HG LEU 90 HG LEU 90 -11.699 -0.465 -7.186 713 HD11 LEU 90 1HD1 LEU 90 -9.025 -1.821 -7.419 714 HD12 LEU 90 2HD1 LEU 90 -9.673 -0.615 -8.531 715 HD13 LEU 90 3HD1 LEU 90 -10.462 -2.186 -8.374 716 HD21 LEU 90 1HD2 LEU 90 -11.655 -2.774 -6.334 717 HD22 LEU 90 2HD2 LEU 90 -11.904 -1.587 -5.057 718 HD23 LEU 90 3HD2 LEU 90 -10.321 -2.337 -5.267 719 H LEU 91 H LEU 91 -10.311 3.374 -5.399 720 HA LEU 91 HA LEU 91 -8.076 3.759 -3.770 721 HB2 LEU 91 2HB LEU 91 -10.096 5.792 -4.717 722 HB3 LEU 91 1HB LEU 91 -8.549 6.186 -3.997 723 HG LEU 91 HG LEU 91 -8.963 4.756 -6.623 724 HD11 LEU 91 1HD1 LEU 91 -8.054 6.784 -7.613 725 HD12 LEU 91 2HD1 LEU 91 -7.949 7.527 -6.018 726 HD13 LEU 91 3HD1 LEU 91 -9.524 7.133 -6.702 727 HD21 LEU 91 1HD2 LEU 91 -6.426 5.622 -5.236 728 HD22 LEU 91 2HD2 LEU 91 -6.528 5.001 -6.882 729 HD23 LEU 91 3HD2 LEU 91 -6.948 3.961 -5.521 730 H GLU 92 H GLU 92 -11.508 4.053 -3.083 731 HA GLU 92 HA GLU 92 -11.294 5.333 -0.584 732 HB2 GLU 92 2HB GLU 92 -13.415 5.071 -1.835 733 HB3 GLU 92 1HB GLU 92 -13.382 3.347 -1.493 734 HG2 GLU 92 2HG GLU 92 -13.452 3.876 0.922 735 HG3 GLU 92 1HG GLU 92 -13.635 5.577 0.502 736 H GLU 93 H GLU 93 -11.374 1.892 -1.489 737 HA GLU 93 HA GLU 93 -11.141 0.813 1.105 738 HB2 GLU 93 2HB GLU 93 -10.168 -0.256 -1.552 739 HB3 GLU 93 1HB GLU 93 -10.137 -1.177 -0.058 740 HG2 GLU 93 2HG GLU 93 -12.615 -0.909 0.057 741 HG3 GLU 93 1HG GLU 93 -12.547 -0.195 -1.556 742 H LEU 94 H LEU 94 -8.818 1.862 -1.270 743 HA LEU 94 HA LEU 94 -6.464 1.029 -0.020 744 HB2 LEU 94 2HB LEU 94 -6.609 1.711 -2.350 745 HB3 LEU 94 1HB LEU 94 -6.986 3.349 -1.864 746 HG LEU 94 HG LEU 94 -4.732 3.514 -0.836 747 HD11 LEU 94 1HD1 LEU 94 -4.319 1.151 -0.440 748 HD12 LEU 94 2HD1 LEU 94 -3.049 1.842 -1.449 749 HD13 LEU 94 3HD1 LEU 94 -4.311 0.845 -2.176 750 HD21 LEU 94 1HD2 LEU 94 -4.829 2.808 -3.765 751 HD22 LEU 94 2HD2 LEU 94 -3.551 3.723 -2.968 752 HD23 LEU 94 3HD2 LEU 94 -5.183 4.385 -3.061 753 H GLU 95 H GLU 95 -8.191 4.150 0.130 754 HA GLU 95 HA GLU 95 -6.375 5.463 1.811 755 HB2 GLU 95 2HB GLU 95 -9.354 5.822 1.496 756 HB3 GLU 95 1HB GLU 95 -8.347 6.889 2.461 757 HG2 GLU 95 2HG GLU 95 -7.025 7.388 0.421 758 HG3 GLU 95 1HG GLU 95 -8.178 6.428 -0.506 759 H GLN 96 H GLN 96 -9.254 3.558 2.587 760 HA GLN 96 HA GLN 96 -9.096 3.884 5.379 761 HB2 GLN 96 2HB GLN 96 -10.332 1.680 3.728 762 HB3 GLN 96 1HB GLN 96 -10.531 1.831 5.467 763 HG2 GLN 96 2HG GLN 96 -11.407 3.840 3.404 764 HG3 GLN 96 1HG GLN 96 -12.450 2.720 4.279 765 HE21 GLN 96 1HE2 GLN 96 -12.505 5.623 4.189 766 HE22 GLN 96 2HE2 GLN 96 -12.348 6.161 5.822 767 H ALA 97 H ALA 97 -7.702 1.497 3.196 768 HA ALA 97 HA ALA 97 -6.675 -0.228 5.176 769 HB1 ALA 97 1HB ALA 97 -6.945 -0.831 2.786 770 HB2 ALA 97 2HB ALA 97 -5.342 -1.194 3.421 771 HB3 ALA 97 3HB ALA 97 -5.586 0.224 2.400 772 H LEU 98 H LEU 98 -5.286 2.547 3.480 773 HA LEU 98 HA LEU 98 -2.694 2.354 4.557 774 HB2 LEU 98 2HB LEU 98 -4.209 4.763 3.575 775 HB3 LEU 98 1HB LEU 98 -2.496 4.749 3.939 776 HG LEU 98 HG LEU 98 -3.830 3.092 1.805 777 HD11 LEU 98 1HD1 LEU 98 -3.846 5.464 1.270 778 HD12 LEU 98 2HD1 LEU 98 -2.722 4.580 0.239 779 HD13 LEU 98 3HD1 LEU 98 -2.111 5.553 1.578 780 HD21 LEU 98 1HD2 LEU 98 -0.917 3.478 2.488 781 HD22 LEU 98 2HD2 LEU 98 -1.538 2.599 1.091 782 HD23 LEU 98 3HD2 LEU 98 -1.855 2.002 2.718 783 H GLN 99 H GLN 99 -5.567 4.098 5.666 784 HA GLN 99 HA GLN 99 -4.294 5.333 7.873 785 HB2 GLN 99 2HB GLN 99 -7.217 4.591 7.624 786 HB3 GLN 99 1HB GLN 99 -6.532 5.778 8.722 787 HG2 GLN 99 2HG GLN 99 -6.710 5.946 5.725 788 HG3 GLN 99 1HG GLN 99 -7.566 6.929 6.910 789 HE21 GLN 99 1HE2 GLN 99 -5.809 7.713 4.719 790 HE22 GLN 99 2HE2 GLN 99 -4.533 8.636 5.431 791 H LYS 100 H LYS 100 -5.975 2.286 7.425 792 HA LYS 100 HA LYS 100 -6.046 1.407 10.084 793 HB2 LYS 100 2HB LYS 100 -7.290 0.349 8.234 794 HB3 LYS 100 1HB LYS 100 -5.778 -0.213 7.542 795 HG2 LYS 100 2HG LYS 100 -5.399 -1.572 9.571 796 HG3 LYS 100 1HG LYS 100 -6.982 -1.061 10.165 797 HD2 LYS 100 2HD LYS 100 -8.004 -2.017 8.116 798 HD3 LYS 100 1HD LYS 100 -6.416 -2.614 7.642 799 HE2 LYS 100 2HE LYS 100 -7.730 -4.372 8.702 800 HE3 LYS 100 1HE LYS 100 -6.313 -3.973 9.669 801 HZ1 LYS 100 1HZ LYS 100 -7.677 -2.718 11.157 802 HZ2 LYS 100 2HZ LYS 100 -8.368 -4.248 10.974 803 HZ3 LYS 100 3HZ LYS 100 -9.040 -2.918 10.178 804 H ILE 101 H ILE 101 -3.593 1.115 7.569 805 HA ILE 101 HA ILE 101 -1.791 -0.547 8.917 806 HB ILE 101 HB ILE 101 -1.303 1.595 6.838 807 HG12 ILE 101 2HG1 ILE 101 -1.375 -1.425 6.637 808 HG13 ILE 101 1HG1 ILE 101 -2.651 -0.333 6.111 809 HG21 ILE 101 1HG2 ILE 101 0.741 1.288 8.111 810 HG22 ILE 101 2HG2 ILE 101 0.912 0.598 6.497 811 HG23 ILE 101 3HG2 ILE 101 0.642 -0.458 7.883 812 HD11 ILE 101 1HD1 ILE 101 0.134 -0.485 4.975 813 HD12 ILE 101 2HD1 ILE 101 -1.127 0.631 4.454 814 HD13 ILE 101 3HD1 ILE 101 -1.337 -1.105 4.227 815 H ARG 102 H ARG 102 -2.054 2.997 8.859 816 HA ARG 102 HA ARG 102 0.203 3.396 10.525 817 HB2 ARG 102 2HB ARG 102 -2.082 5.212 9.816 818 HB3 ARG 102 1HB ARG 102 -0.746 5.707 10.845 819 HG2 ARG 102 2HG ARG 102 0.723 4.890 8.859 820 HG3 ARG 102 1HG ARG 102 -0.766 5.096 7.933 821 HD2 ARG 102 2HD ARG 102 0.605 7.113 7.868 822 HD3 ARG 102 1HD ARG 102 -0.928 7.402 8.692 823 HE ARG 102 HE ARG 102 0.832 6.738 10.694 824 HH11 ARG 102 1HH1 ARG 102 0.668 9.241 8.242 825 HH12 ARG 102 2HH1 ARG 102 1.584 10.381 9.167 826 HH21 ARG 102 1HH2 ARG 102 2.035 8.201 11.901 827 HH22 ARG 102 2HH2 ARG 102 2.381 9.788 11.275 828 H GLU 103 H GLU 103 -3.239 3.069 11.194 829 HA GLU 103 HA GLU 103 -3.148 3.793 13.902 830 HB2 GLU 103 2HB GLU 103 -4.942 1.783 12.527 831 HB3 GLU 103 1HB GLU 103 -5.204 2.423 14.142 832 HG2 GLU 103 2HG GLU 103 -5.185 4.026 11.595 833 HG3 GLU 103 1HG GLU 103 -6.615 3.521 12.490 834 H LEU 104 H LEU 104 -2.531 0.736 12.275 835 HA LEU 104 HA LEU 104 -2.124 -0.748 14.677 836 HB2 LEU 104 2HB LEU 104 -1.240 -1.347 11.855 837 HB3 LEU 104 1HB LEU 104 -1.204 -2.480 13.188 838 HG LEU 104 HG LEU 104 -3.689 -1.269 11.976 839 HD11 LEU 104 1HD1 LEU 104 -4.130 -3.531 11.175 840 HD12 LEU 104 2HD1 LEU 104 -2.583 -4.067 11.829 841 HD13 LEU 104 3HD1 LEU 104 -2.625 -2.895 10.513 842 HD21 LEU 104 1HD2 LEU 104 -3.970 -1.687 14.360 843 HD22 LEU 104 2HD2 LEU 104 -3.380 -3.335 14.153 844 HD23 LEU 104 3HD2 LEU 104 -4.901 -2.843 13.409 845 H ALA 105 H ALA 105 -0.000 0.918 12.391 846 HA ALA 105 HA ALA 105 2.430 -0.001 13.570 847 HB1 ALA 105 1HB ALA 105 1.983 2.368 11.760 848 HB2 ALA 105 2HB ALA 105 2.289 0.713 11.231 849 HB3 ALA 105 3HB ALA 105 3.531 1.602 12.114 850 H GLU 106 H GLU 106 0.355 2.753 14.161 851 HA GLU 106 HA GLU 106 2.317 4.026 15.862 852 HB2 GLU 106 2HB GLU 106 -0.316 4.745 14.776 853 HB3 GLU 106 1HB GLU 106 -0.042 5.305 16.419 854 HG2 GLU 106 2HG GLU 106 0.608 7.041 14.930 855 HG3 GLU 106 1HG GLU 106 2.066 6.368 15.646 856 H LYS 107 H LYS 107 0.382 1.427 16.201 857 HA LYS 107 HA LYS 107 -0.253 1.872 19.008 858 HB2 LYS 107 2HB LYS 107 -1.947 0.799 17.591 859 HB3 LYS 107 1HB LYS 107 -0.818 -0.478 17.176 860 HG2 LYS 107 2HG LYS 107 -0.821 -1.274 19.458 861 HG3 LYS 107 1HG LYS 107 -1.852 0.068 19.951 862 HD2 LYS 107 2HD LYS 107 -2.669 -1.949 17.868 863 HD3 LYS 107 1HD LYS 107 -3.012 -2.152 19.586 864 HE2 LYS 107 2HE LYS 107 -3.886 0.192 17.901 865 HE3 LYS 107 1HE LYS 107 -4.900 -1.180 18.336 866 HZ1 LYS 107 1HZ LYS 107 -3.678 0.755 20.233 867 HZ2 LYS 107 2HZ LYS 107 -4.594 -0.592 20.677 868 HZ3 LYS 107 3HZ LYS 107 -5.312 0.665 19.807 869 H LYS 108 H LYS 108 2.322 0.887 17.188 870 HA LYS 108 HA LYS 108 4.360 0.016 17.675 871 HB2 LYS 108 2HB LYS 108 4.182 1.081 19.886 872 HB3 LYS 108 1HB LYS 108 3.293 -0.306 20.492 873 HG2 LYS 108 2HG LYS 108 5.315 -1.705 19.987 874 HG3 LYS 108 1HG LYS 108 6.177 -0.206 19.638 875 HD2 LYS 108 2HD LYS 108 4.869 -0.943 22.259 876 HD3 LYS 108 1HD LYS 108 6.600 -0.946 21.927 877 HE2 LYS 108 2HE LYS 108 4.788 1.471 21.862 878 HE3 LYS 108 1HE LYS 108 5.911 1.062 23.155 879 HZ1 LYS 108 1HZ LYS 108 7.733 1.279 21.564 880 HZ2 LYS 108 2HZ LYS 108 6.850 2.710 21.697 881 HZ3 LYS 108 3HZ LYS 108 6.637 1.713 20.346 882 H ASN 109 H ASN 109 2.082 -1.844 19.644 883 HA ASN 109 HA ASN 109 3.215 -4.314 18.624 884 HB2 ASN 109 2HB ASN 109 1.244 -3.723 20.830 885 HB3 ASN 109 1HB ASN 109 1.629 -5.358 20.303 886 HD21 ASN 109 1HD2 ASN 109 2.073 -3.980 22.869 887 HD22 ASN 109 2HD2 ASN 109 3.766 -4.127 23.177 Start of MODEL 3 1 H1 SER 1 1HT SER 1 12.250 -0.454 19.703 2 H2 SER 1 2HT SER 1 12.491 -1.929 18.917 3 H3 SER 1 3HT SER 1 11.611 -0.702 18.158 4 HA SER 1 HA SER 1 14.468 -0.631 18.850 5 HB2 SER 1 2HB SER 1 14.620 -0.480 16.274 6 HB3 SER 1 1HB SER 1 14.259 -2.055 16.985 7 HG SER 1 HG SER 1 12.842 -0.784 15.184 8 H GLU 2 H GLU 2 12.738 0.997 16.245 9 HA GLU 2 HA GLU 2 13.183 3.540 17.628 10 HB2 GLU 2 2HB GLU 2 13.643 4.405 15.163 11 HB3 GLU 2 1HB GLU 2 14.923 3.766 16.176 12 HG2 GLU 2 2HG GLU 2 15.041 2.945 13.865 13 HG3 GLU 2 1HG GLU 2 14.835 1.643 15.032 14 H PHE 3 H PHE 3 11.336 1.756 15.242 15 HA PHE 3 HA PHE 3 9.169 1.864 14.620 16 HB2 PHE 3 2HB PHE 3 8.571 2.449 16.926 17 HB3 PHE 3 1HB PHE 3 8.927 4.140 16.608 18 HD1 PHE 3 1HD PHE 3 6.699 1.355 15.574 19 HD2 PHE 3 2HD PHE 3 7.258 5.564 15.842 20 HE1 PHE 3 1HE PHE 3 4.363 1.706 14.889 21 HE2 PHE 3 2HE PHE 3 4.924 5.922 15.156 22 HZ PHE 3 HZ PHE 3 3.474 3.993 14.679 23 H GLU 4 H GLU 4 11.307 4.467 14.331 24 HA GLU 4 HA GLU 4 9.770 6.306 12.870 25 HB2 GLU 4 2HB GLU 4 12.742 5.812 12.912 26 HB3 GLU 4 1HB GLU 4 11.988 7.154 12.063 27 HG2 GLU 4 2HG GLU 4 11.913 6.630 15.023 28 HG3 GLU 4 1HG GLU 4 12.816 7.897 14.192 29 H LYS 5 H LYS 5 11.869 3.644 11.777 30 HA LYS 5 HA LYS 5 11.406 4.232 9.014 31 HB2 LYS 5 2HB LYS 5 12.867 2.170 10.535 32 HB3 LYS 5 1HB LYS 5 12.261 1.657 8.968 33 HG2 LYS 5 2HG LYS 5 14.552 2.471 8.814 34 HG3 LYS 5 1HG LYS 5 13.448 3.485 7.888 35 HD2 LYS 5 2HD LYS 5 13.415 5.103 9.747 36 HD3 LYS 5 1HD LYS 5 14.564 4.093 10.626 37 HE2 LYS 5 2HE LYS 5 15.710 5.931 9.509 38 HE3 LYS 5 1HE LYS 5 16.196 4.383 8.822 39 HZ1 LYS 5 1HZ LYS 5 14.198 6.243 7.636 40 HZ2 LYS 5 2HZ LYS 5 14.689 4.770 6.972 41 HZ3 LYS 5 3HZ LYS 5 15.791 6.039 7.105 42 H LEU 6 H LEU 6 9.939 2.131 11.376 43 HA LEU 6 HA LEU 6 8.368 0.614 9.584 44 HB2 LEU 6 2HB LEU 6 8.766 -0.022 11.936 45 HB3 LEU 6 1HB LEU 6 7.808 1.347 12.463 46 HG LEU 6 HG LEU 6 5.819 0.340 11.379 47 HD11 LEU 6 1HD1 LEU 6 7.659 -1.999 10.898 48 HD12 LEU 6 2HD1 LEU 6 6.921 -0.976 9.665 49 HD13 LEU 6 3HD1 LEU 6 5.910 -2.007 10.677 50 HD21 LEU 6 1HD2 LEU 6 7.231 -1.422 13.380 51 HD22 LEU 6 2HD2 LEU 6 5.504 -1.450 13.024 52 HD23 LEU 6 3HD2 LEU 6 6.231 -0.016 13.749 53 H ARG 7 H ARG 7 7.750 3.588 11.402 54 HA ARG 7 HA ARG 7 5.118 3.983 10.399 55 HB2 ARG 7 2HB ARG 7 6.012 5.001 12.492 56 HB3 ARG 7 1HB ARG 7 7.039 6.032 11.507 57 HG2 ARG 7 2HG ARG 7 4.638 6.571 10.411 58 HG3 ARG 7 1HG ARG 7 4.160 6.217 12.073 59 HD2 ARG 7 2HD ARG 7 4.609 8.572 11.867 60 HD3 ARG 7 1HD ARG 7 5.868 7.828 12.856 61 HE ARG 7 HE ARG 7 6.221 8.450 9.992 62 HH11 ARG 7 1HH1 ARG 7 7.400 8.472 13.308 63 HH12 ARG 7 2HH1 ARG 7 8.975 9.065 12.897 64 HH21 ARG 7 1HH2 ARG 7 8.318 9.258 9.442 65 HH22 ARG 7 2HH2 ARG 7 9.488 9.529 10.688 66 H GLN 8 H GLN 8 8.337 5.087 9.437 67 HA GLN 8 HA GLN 8 7.595 6.977 7.508 68 HB2 GLN 8 2HB GLN 8 9.878 6.832 8.308 69 HB3 GLN 8 1HB GLN 8 10.041 5.210 7.654 70 HG2 GLN 8 2HG GLN 8 9.777 6.118 5.387 71 HG3 GLN 8 1HG GLN 8 9.676 7.738 6.069 72 HE21 GLN 8 1HE2 GLN 8 11.474 8.432 4.951 73 HE22 GLN 8 2HE2 GLN 8 13.076 7.929 5.370 74 H THR 9 H THR 9 8.201 3.504 7.224 75 HA THR 9 HA THR 9 7.838 3.327 4.451 76 HB THR 9 HB THR 9 7.169 1.198 6.503 77 HG1 THR 9 1HG THR 9 9.328 1.953 6.754 78 HG21 THR 9 1HG2 THR 9 6.358 0.698 4.249 79 HG22 THR 9 2HG2 THR 9 7.707 -0.356 4.674 80 HG23 THR 9 3HG2 THR 9 7.964 1.012 3.590 81 H GLY 10 H GLY 10 5.577 3.328 7.147 82 HA2 GLY 10 2HA GLY 10 3.247 2.662 5.678 83 HA3 GLY 10 1HA GLY 10 3.287 3.492 7.229 84 H ASP 11 H ASP 11 4.694 5.773 6.618 85 HA ASP 11 HA ASP 11 2.755 7.428 5.402 86 HB2 ASP 11 2HB ASP 11 5.679 7.914 6.022 87 HB3 ASP 11 1HB ASP 11 4.630 9.153 5.349 88 H GLU 12 H GLU 12 5.795 6.083 4.242 89 HA GLU 12 HA GLU 12 5.853 7.310 1.728 90 HB2 GLU 12 2HB GLU 12 7.711 6.031 2.900 91 HB3 GLU 12 1HB GLU 12 6.932 4.562 2.333 92 HG2 GLU 12 2HG GLU 12 8.723 5.124 0.851 93 HG3 GLU 12 1HG GLU 12 7.191 5.364 0.014 94 H LEU 13 H LEU 13 4.293 4.325 2.828 95 HA LEU 13 HA LEU 13 3.479 3.346 0.329 96 HB2 LEU 13 2HB LEU 13 2.266 3.117 3.076 97 HB3 LEU 13 1HB LEU 13 1.522 2.365 1.682 98 HG LEU 13 HG LEU 13 4.326 1.763 2.624 99 HD11 LEU 13 1HD1 LEU 13 1.767 0.229 3.067 100 HD12 LEU 13 2HD1 LEU 13 2.688 1.084 4.303 101 HD13 LEU 13 3HD1 LEU 13 3.387 -0.319 3.496 102 HD21 LEU 13 1HD2 LEU 13 4.101 -0.181 1.149 103 HD22 LEU 13 2HD2 LEU 13 3.955 1.330 0.253 104 HD23 LEU 13 3HD2 LEU 13 2.513 0.391 0.640 105 H VAL 14 H VAL 14 1.861 5.536 2.591 106 HA VAL 14 HA VAL 14 -0.447 6.001 1.072 107 HB VAL 14 HB VAL 14 0.936 7.963 2.924 108 HG11 VAL 14 1HG1 VAL 14 -1.945 7.779 2.045 109 HG12 VAL 14 2HG1 VAL 14 -0.780 9.006 1.547 110 HG13 VAL 14 3HG1 VAL 14 -1.303 8.916 3.230 111 HG21 VAL 14 1HG2 VAL 14 -1.134 5.859 3.559 112 HG22 VAL 14 2HG2 VAL 14 -0.538 7.082 4.680 113 HG23 VAL 14 3HG2 VAL 14 0.556 5.845 4.062 114 H GLN 15 H GLN 15 2.674 7.658 1.169 115 HA GLN 15 HA GLN 15 2.086 9.729 -0.630 116 HB2 GLN 15 2HB GLN 15 4.720 8.391 -0.002 117 HB3 GLN 15 1HB GLN 15 4.560 9.872 -0.934 118 HG2 GLN 15 2HG GLN 15 3.701 9.501 1.924 119 HG3 GLN 15 1HG GLN 15 5.176 10.303 1.385 120 HE21 GLN 15 1HE2 GLN 15 5.041 12.308 0.423 121 HE22 GLN 15 2HE2 GLN 15 3.621 13.283 0.510 122 H ALA 16 H ALA 16 3.508 6.526 -1.185 123 HA ALA 16 HA ALA 16 4.041 6.854 -3.913 124 HB1 ALA 16 1HB ALA 16 4.953 5.040 -2.517 125 HB2 ALA 16 2HB ALA 16 4.231 4.454 -4.014 126 HB3 ALA 16 3HB ALA 16 3.358 4.287 -2.489 127 H PHE 17 H PHE 17 1.160 5.566 -2.279 128 HA PHE 17 HA PHE 17 -0.212 4.996 -4.690 129 HB2 PHE 17 2HB PHE 17 -1.113 5.270 -1.843 130 HB3 PHE 17 1HB PHE 17 -2.277 5.043 -3.145 131 HD1 PHE 17 1HD PHE 17 -0.136 3.428 -0.852 132 HD2 PHE 17 2HD PHE 17 -1.856 3.022 -4.716 133 HE1 PHE 17 1HE PHE 17 0.240 1.002 -0.759 134 HE2 PHE 17 2HE PHE 17 -1.488 0.594 -4.632 135 HZ PHE 17 HZ PHE 17 -0.438 -0.421 -2.651 136 H GLN 18 H GLN 18 -0.154 7.847 -2.593 137 HA GLN 18 HA GLN 18 -2.194 9.286 -3.878 138 HB2 GLN 18 2HB GLN 18 0.301 10.258 -2.472 139 HB3 GLN 18 1HB GLN 18 -1.003 11.306 -2.994 140 HG2 GLN 18 2HG GLN 18 -1.214 9.087 -0.980 141 HG3 GLN 18 1HG GLN 18 -1.163 10.813 -0.628 142 HE21 GLN 18 1HE2 GLN 18 -3.186 8.796 -0.042 143 HE22 GLN 18 2HE2 GLN 18 -4.664 9.354 -0.745 144 H ARG 19 H ARG 19 1.276 9.100 -4.468 145 HA ARG 19 HA ARG 19 1.390 10.910 -6.639 146 HB2 ARG 19 2HB ARG 19 3.154 8.611 -5.804 147 HB3 ARG 19 1HB ARG 19 3.538 9.668 -7.154 148 HG2 ARG 19 2HG ARG 19 3.944 11.481 -5.788 149 HG3 ARG 19 1HG ARG 19 2.996 10.823 -4.455 150 HD2 ARG 19 2HD ARG 19 5.468 10.779 -4.096 151 HD3 ARG 19 1HD ARG 19 4.676 9.212 -3.958 152 HE ARG 19 HE ARG 19 5.940 9.954 -6.499 153 HH11 ARG 19 1HH1 ARG 19 5.885 7.956 -3.615 154 HH12 ARG 19 2HH1 ARG 19 7.036 6.802 -4.214 155 HH21 ARG 19 1HH2 ARG 19 7.502 8.432 -7.293 156 HH22 ARG 19 2HH2 ARG 19 7.959 7.080 -6.302 157 H LEU 20 H LEU 20 0.804 7.476 -6.383 158 HA LEU 20 HA LEU 20 1.004 6.754 -9.072 159 HB2 LEU 20 2HB LEU 20 0.843 5.252 -7.053 160 HB3 LEU 20 1HB LEU 20 -0.876 5.584 -7.028 161 HG LEU 20 HG LEU 20 -0.987 4.622 -9.357 162 HD11 LEU 20 1HD1 LEU 20 1.384 4.842 -9.906 163 HD12 LEU 20 2HD1 LEU 20 0.837 3.173 -10.053 164 HD13 LEU 20 3HD1 LEU 20 1.783 3.670 -8.651 165 HD21 LEU 20 1HD2 LEU 20 -0.900 2.301 -8.547 166 HD22 LEU 20 2HD2 LEU 20 -1.734 3.375 -7.424 167 HD23 LEU 20 3HD2 LEU 20 -0.082 2.857 -7.088 168 H ARG 21 H ARG 21 -1.771 7.854 -7.157 169 HA ARG 21 HA ARG 21 -3.679 7.648 -9.229 170 HB2 ARG 21 2HB ARG 21 -4.328 7.804 -6.888 171 HB3 ARG 21 1HB ARG 21 -3.669 9.424 -6.792 172 HG2 ARG 21 2HG ARG 21 -5.352 10.309 -8.200 173 HG3 ARG 21 1HG ARG 21 -5.897 8.700 -8.676 174 HD2 ARG 21 2HD ARG 21 -7.394 9.802 -7.040 175 HD3 ARG 21 1HD ARG 21 -6.738 8.274 -6.467 176 HE ARG 21 HE ARG 21 -5.052 10.297 -5.571 177 HH11 ARG 21 1HH1 ARG 21 -8.404 9.362 -5.127 178 HH12 ARG 21 2HH1 ARG 21 -8.459 9.877 -3.479 179 HH21 ARG 21 1HH2 ARG 21 -5.123 10.965 -3.377 180 HH22 ARG 21 2HH2 ARG 21 -6.590 10.755 -2.470 181 H GLU 22 H GLU 22 -1.608 10.286 -8.166 182 HA GLU 22 HA GLU 22 -2.650 12.309 -9.820 183 HB2 GLU 22 2HB GLU 22 0.192 11.938 -8.849 184 HB3 GLU 22 1HB GLU 22 -0.453 13.419 -9.542 185 HG2 GLU 22 2HG GLU 22 -2.012 13.625 -7.689 186 HG3 GLU 22 1HG GLU 22 -1.411 12.115 -7.004 187 H ILE 23 H ILE 23 -0.013 10.018 -10.352 188 HA ILE 23 HA ILE 23 0.618 10.890 -12.963 189 HB ILE 23 HB ILE 23 1.129 8.230 -11.616 190 HG12 ILE 23 2HG1 ILE 23 2.920 10.633 -12.037 191 HG13 ILE 23 1HG1 ILE 23 2.140 10.203 -10.519 192 HG21 ILE 23 1HG2 ILE 23 2.399 9.365 -14.099 193 HG22 ILE 23 2HG2 ILE 23 1.208 8.064 -14.074 194 HG23 ILE 23 3HG2 ILE 23 2.790 7.826 -13.330 195 HD11 ILE 23 1HD1 ILE 23 3.415 8.139 -10.447 196 HD12 ILE 23 2HD1 ILE 23 4.476 9.544 -10.548 197 HD13 ILE 23 3HD1 ILE 23 4.185 8.552 -11.977 198 H PHE 24 H PHE 24 -1.560 8.395 -11.723 199 HA PHE 24 HA PHE 24 -2.266 7.218 -14.173 200 HB2 PHE 24 2HB PHE 24 -2.854 6.083 -12.148 201 HB3 PHE 24 1HB PHE 24 -3.777 7.465 -11.569 202 HD1 PHE 24 1HD PHE 24 -3.695 5.081 -14.438 203 HD2 PHE 24 2HD PHE 24 -6.066 7.425 -11.790 204 HE1 PHE 24 1HE PHE 24 -5.736 4.142 -15.436 205 HE2 PHE 24 2HE PHE 24 -8.110 6.488 -12.784 206 HZ PHE 24 HZ PHE 24 -7.947 4.845 -14.610 207 H ASP 25 H ASP 25 -3.636 9.970 -12.435 208 HA ASP 25 HA ASP 25 -5.835 10.418 -14.134 209 HB2 ASP 25 2HB ASP 25 -5.577 11.438 -11.884 210 HB3 ASP 25 1HB ASP 25 -4.295 12.464 -12.519 211 H LYS 26 H LYS 26 -2.478 11.357 -14.330 212 HA LYS 26 HA LYS 26 -2.885 13.119 -16.575 213 HB2 LYS 26 2HB LYS 26 -0.338 11.992 -15.398 214 HB3 LYS 26 1HB LYS 26 -0.424 13.252 -16.622 215 HG2 LYS 26 2HG LYS 26 -1.608 14.699 -15.039 216 HG3 LYS 26 1HG LYS 26 -1.485 13.438 -13.811 217 HD2 LYS 26 2HD LYS 26 0.946 13.567 -13.911 218 HD3 LYS 26 1HD LYS 26 0.839 14.797 -15.171 219 HE2 LYS 26 2HE LYS 26 -0.405 16.241 -13.575 220 HE3 LYS 26 1HE LYS 26 -0.133 15.029 -12.324 221 HZ1 LYS 26 1HZ LYS 26 2.236 15.349 -12.561 222 HZ2 LYS 26 2HZ LYS 26 1.497 16.836 -12.240 223 HZ3 LYS 26 3HZ LYS 26 1.996 16.462 -13.807 224 H GLY 27 H GLY 27 -2.460 9.773 -16.092 225 HA2 GLY 27 2HA GLY 27 -2.705 8.087 -17.647 226 HA3 GLY 27 1HA GLY 27 -2.737 9.303 -18.912 227 H ASP 28 H ASP 28 -0.093 9.123 -16.623 228 HA ASP 28 HA ASP 28 1.681 8.513 -18.865 229 HB2 ASP 28 2HB ASP 28 2.144 10.402 -17.215 230 HB3 ASP 28 1HB ASP 28 2.520 9.152 -16.036 231 H ASP 29 H ASP 29 1.450 6.366 -19.236 232 HA ASP 29 HA ASP 29 1.168 4.333 -17.314 233 HB2 ASP 29 2HB ASP 29 0.500 3.934 -19.594 234 HB3 ASP 29 1HB ASP 29 2.135 4.219 -20.176 235 H ASP 30 H ASP 30 4.029 5.661 -18.870 236 HA ASP 30 HA ASP 30 5.864 3.702 -18.061 237 HB2 ASP 30 2HB ASP 30 6.495 5.251 -19.771 238 HB3 ASP 30 1HB ASP 30 6.251 6.626 -18.700 239 H SER 31 H SER 31 5.075 6.826 -16.521 240 HA SER 31 HA SER 31 6.760 6.325 -14.273 241 HB2 SER 31 2HB SER 31 4.451 8.271 -14.474 242 HB3 SER 31 1HB SER 31 5.772 8.318 -13.306 243 HG SER 31 HG SER 31 5.877 8.714 -16.109 244 H LEU 32 H LEU 32 3.389 5.730 -15.014 245 HA LEU 32 HA LEU 32 2.436 5.208 -12.424 246 HB2 LEU 32 2HB LEU 32 1.060 5.505 -14.492 247 HB3 LEU 32 1HB LEU 32 1.577 3.917 -15.017 248 HG LEU 32 HG LEU 32 0.507 3.018 -12.893 249 HD11 LEU 32 1HD1 LEU 32 -0.749 5.754 -12.910 250 HD12 LEU 32 2HD1 LEU 32 0.359 5.128 -11.691 251 HD13 LEU 32 3HD1 LEU 32 -1.233 4.398 -11.893 252 HD21 LEU 32 1HD2 LEU 32 -1.735 3.049 -13.882 253 HD22 LEU 32 2HD2 LEU 32 -0.488 2.727 -15.086 254 HD23 LEU 32 3HD2 LEU 32 -1.227 4.327 -14.986 255 H GLU 33 H GLU 33 3.775 3.076 -14.903 256 HA GLU 33 HA GLU 33 3.619 0.691 -13.425 257 HB2 GLU 33 2HB GLU 33 3.912 0.877 -15.888 258 HB3 GLU 33 1HB GLU 33 5.563 1.412 -15.612 259 HG2 GLU 33 2HG GLU 33 5.995 -0.735 -14.457 260 HG3 GLU 33 1HG GLU 33 4.381 -1.260 -14.941 261 H GLN 34 H GLN 34 6.138 3.131 -13.774 262 HA GLN 34 HA GLN 34 8.201 1.759 -12.446 263 HB2 GLN 34 2HB GLN 34 8.428 3.811 -13.890 264 HB3 GLN 34 1HB GLN 34 7.813 4.751 -12.540 265 HG2 GLN 34 2HG GLN 34 10.222 4.880 -12.645 266 HG3 GLN 34 1HG GLN 34 9.712 4.042 -11.180 267 HE21 GLN 34 1HE2 GLN 34 11.209 3.706 -14.299 268 HE22 GLN 34 2HE2 GLN 34 11.887 2.140 -14.029 269 H VAL 35 H VAL 35 5.676 3.934 -11.262 270 HA VAL 35 HA VAL 35 6.609 3.995 -8.586 271 HB VAL 35 HB VAL 35 3.840 4.582 -9.674 272 HG11 VAL 35 1HG1 VAL 35 4.996 5.188 -6.947 273 HG12 VAL 35 2HG1 VAL 35 3.732 4.008 -7.293 274 HG13 VAL 35 3HG1 VAL 35 3.427 5.727 -7.545 275 HG21 VAL 35 1HG2 VAL 35 5.524 6.087 -10.535 276 HG22 VAL 35 2HG2 VAL 35 6.142 6.371 -8.908 277 HG23 VAL 35 3HG2 VAL 35 4.531 6.931 -9.347 278 H LEU 36 H LEU 36 4.451 1.835 -10.342 279 HA LEU 36 HA LEU 36 3.324 0.475 -8.161 280 HB2 LEU 36 2HB LEU 36 4.066 -0.596 -10.889 281 HB3 LEU 36 1HB LEU 36 3.067 -1.447 -9.731 282 HG LEU 36 HG LEU 36 2.356 1.181 -11.039 283 HD11 LEU 36 1HD1 LEU 36 0.733 -0.108 -12.301 284 HD12 LEU 36 2HD1 LEU 36 1.293 -1.595 -11.538 285 HD13 LEU 36 3HD1 LEU 36 2.365 -0.698 -12.614 286 HD21 LEU 36 1HD2 LEU 36 0.758 -0.646 -9.245 287 HD22 LEU 36 2HD2 LEU 36 0.134 0.775 -10.085 288 HD23 LEU 36 3HD2 LEU 36 1.360 0.960 -8.831 289 H GLU 37 H GLU 37 6.392 0.051 -9.832 290 HA GLU 37 HA GLU 37 7.237 -2.281 -8.498 291 HB2 GLU 37 2HB GLU 37 8.299 -1.382 -10.549 292 HB3 GLU 37 1HB GLU 37 8.932 -0.039 -9.610 293 HG2 GLU 37 2HG GLU 37 10.198 -1.639 -8.230 294 HG3 GLU 37 1HG GLU 37 9.612 -2.947 -9.255 295 H GLU 38 H GLU 38 7.673 1.175 -7.777 296 HA GLU 38 HA GLU 38 9.312 0.929 -5.563 297 HB2 GLU 38 2HB GLU 38 8.780 2.995 -6.903 298 HB3 GLU 38 1HB GLU 38 7.224 3.038 -6.090 299 HG2 GLU 38 2HG GLU 38 8.485 3.070 -3.956 300 HG3 GLU 38 1HG GLU 38 9.936 3.351 -4.918 301 H ILE 39 H ILE 39 5.807 1.119 -5.902 302 HA ILE 39 HA ILE 39 5.128 1.086 -3.194 303 HB ILE 39 HB ILE 39 3.599 -0.012 -5.564 304 HG12 ILE 39 2HG1 ILE 39 3.345 2.616 -4.096 305 HG13 ILE 39 1HG1 ILE 39 4.134 2.405 -5.656 306 HG21 ILE 39 1HG2 ILE 39 1.606 0.150 -4.143 307 HG22 ILE 39 2HG2 ILE 39 2.626 0.593 -2.774 308 HG23 ILE 39 3HG2 ILE 39 2.775 -1.005 -3.505 309 HD11 ILE 39 1HD1 ILE 39 1.225 1.915 -5.058 310 HD12 ILE 39 2HD1 ILE 39 2.007 1.700 -6.624 311 HD13 ILE 39 3HD1 ILE 39 1.896 3.308 -5.907 312 H GLU 40 H GLU 40 5.811 -1.517 -5.456 313 HA GLU 40 HA GLU 40 4.972 -3.629 -3.784 314 HB2 GLU 40 2HB GLU 40 5.293 -3.934 -6.187 315 HB3 GLU 40 1HB GLU 40 7.018 -3.647 -6.007 316 HG2 GLU 40 2HG GLU 40 7.260 -5.649 -4.696 317 HG3 GLU 40 1HG GLU 40 5.518 -5.916 -4.727 318 H GLU 41 H GLU 41 8.107 -2.049 -4.247 319 HA GLU 41 HA GLU 41 9.598 -3.708 -2.534 320 HB2 GLU 41 2HB GLU 41 10.636 -2.082 -4.078 321 HB3 GLU 41 1HB GLU 41 9.994 -0.761 -3.111 322 HG2 GLU 41 2HG GLU 41 11.317 -1.607 -1.186 323 HG3 GLU 41 1HG GLU 41 12.042 -2.795 -2.264 324 H LEU 42 H LEU 42 7.802 -0.726 -1.960 325 HA LEU 42 HA LEU 42 8.420 -0.419 0.758 326 HB2 LEU 42 2HB LEU 42 5.930 0.430 -0.712 327 HB3 LEU 42 1HB LEU 42 6.448 1.034 0.848 328 HG LEU 42 HG LEU 42 7.949 1.414 -1.739 329 HD11 LEU 42 1HD1 LEU 42 7.232 3.743 -1.567 330 HD12 LEU 42 2HD1 LEU 42 6.255 3.335 -0.155 331 HD13 LEU 42 3HD1 LEU 42 5.859 2.648 -1.730 332 HD21 LEU 42 1HD2 LEU 42 8.411 2.549 1.020 333 HD22 LEU 42 2HD2 LEU 42 9.285 3.016 -0.439 334 HD23 LEU 42 3HD2 LEU 42 9.432 1.375 0.188 335 H ILE 43 H ILE 43 5.745 -2.108 -0.848 336 HA ILE 43 HA ILE 43 4.325 -2.830 1.465 337 HB ILE 43 HB ILE 43 4.518 -4.231 -1.210 338 HG12 ILE 43 2HG1 ILE 43 2.362 -2.471 -0.019 339 HG13 ILE 43 1HG1 ILE 43 3.529 -1.970 -1.237 340 HG21 ILE 43 1HG2 ILE 43 2.496 -5.472 -0.564 341 HG22 ILE 43 2HG2 ILE 43 2.595 -4.776 1.053 342 HG23 ILE 43 3HG2 ILE 43 3.865 -5.857 0.481 343 HD11 ILE 43 1HD1 ILE 43 1.366 -2.459 -2.224 344 HD12 ILE 43 2HD1 ILE 43 1.428 -4.098 -1.576 345 HD13 ILE 43 3HD1 ILE 43 2.591 -3.589 -2.800 346 H GLN 44 H GLN 44 6.870 -4.555 -0.315 347 HA GLN 44 HA GLN 44 6.890 -6.822 1.368 348 HB2 GLN 44 2HB GLN 44 9.085 -5.703 -0.379 349 HB3 GLN 44 1HB GLN 44 9.108 -7.291 0.371 350 HG2 GLN 44 2HG GLN 44 7.072 -7.876 -0.907 351 HG3 GLN 44 1HG GLN 44 7.175 -6.314 -1.716 352 HE21 GLN 44 1HE2 GLN 44 7.450 -7.224 -3.724 353 HE22 GLN 44 2HE2 GLN 44 8.904 -8.018 -4.208 354 H LYS 45 H LYS 45 8.796 -3.845 1.345 355 HA LYS 45 HA LYS 45 10.536 -4.509 3.440 356 HB2 LYS 45 2HB LYS 45 10.894 -2.632 1.881 357 HB3 LYS 45 1HB LYS 45 9.544 -1.777 2.610 358 HG2 LYS 45 2HG LYS 45 10.740 -1.630 4.716 359 HG3 LYS 45 1HG LYS 45 12.078 -2.560 4.038 360 HD2 LYS 45 2HD LYS 45 12.433 -0.793 2.363 361 HD3 LYS 45 1HD LYS 45 11.121 0.140 3.086 362 HE2 LYS 45 2HE LYS 45 12.348 0.297 5.171 363 HE3 LYS 45 1HE LYS 45 13.634 -0.715 4.515 364 HZ1 LYS 45 1HZ LYS 45 14.062 1.001 2.855 365 HZ2 LYS 45 2HZ LYS 45 14.248 1.604 4.418 366 HZ3 LYS 45 3HZ LYS 45 12.861 1.977 3.531 367 H HIS 46 H HIS 46 7.404 -2.829 3.476 368 HA HIS 46 HA HIS 46 7.373 -2.259 6.237 369 HB2 HIS 46 2HB HIS 46 5.856 -1.233 4.523 370 HB3 HIS 46 1HB HIS 46 4.980 -2.753 4.452 371 HD1 HIS 46 1HD HIS 46 5.866 -0.132 7.107 372 HD2 HIS 46 2HD HIS 46 2.916 -2.871 6.118 373 HE1 HIS 46 1HE HIS 46 4.019 0.190 8.792 374 H ARG 47 H ARG 47 6.043 -4.975 4.388 375 HA ARG 47 HA ARG 47 4.925 -6.339 6.590 376 HB2 ARG 47 2HB ARG 47 4.445 -6.733 4.130 377 HB3 ARG 47 1HB ARG 47 5.970 -7.599 4.051 378 HG2 ARG 47 2HG ARG 47 4.386 -8.619 6.216 379 HG3 ARG 47 1HG ARG 47 3.443 -8.614 4.726 380 HD2 ARG 47 2HD ARG 47 4.539 -10.707 4.810 381 HD3 ARG 47 1HD ARG 47 5.406 -9.744 3.619 382 HE ARG 47 HE ARG 47 6.454 -9.756 6.338 383 HH11 ARG 47 1HH1 ARG 47 6.706 -10.966 3.047 384 HH12 ARG 47 2HH1 ARG 47 8.318 -11.550 3.251 385 HH21 ARG 47 1HH2 ARG 47 8.603 -10.567 6.608 386 HH22 ARG 47 2HH2 ARG 47 9.401 -11.313 5.271 387 H GLN 48 H GLN 48 8.127 -6.314 5.149 388 HA GLN 48 HA GLN 48 9.183 -8.516 6.573 389 HB2 GLN 48 2HB GLN 48 10.186 -7.583 4.520 390 HB3 GLN 48 1HB GLN 48 10.573 -6.106 5.388 391 HG2 GLN 48 2HG GLN 48 12.547 -7.355 5.257 392 HG3 GLN 48 1HG GLN 48 11.982 -7.499 6.921 393 HE21 GLN 48 1HE2 GLN 48 13.040 -9.390 7.315 394 HE22 GLN 48 2HE2 GLN 48 12.603 -10.900 6.584 395 H LEU 49 H LEU 49 9.228 -5.002 7.119 396 HA LEU 49 HA LEU 49 10.823 -5.047 9.435 397 HB2 LEU 49 2HB LEU 49 8.752 -3.042 8.551 398 HB3 LEU 49 1HB LEU 49 9.854 -2.794 9.889 399 HG LEU 49 HG LEU 49 10.632 -3.118 6.991 400 HD11 LEU 49 1HD1 LEU 49 11.305 -0.774 7.161 401 HD12 LEU 49 2HD1 LEU 49 10.674 -0.715 8.807 402 HD13 LEU 49 3HD1 LEU 49 9.578 -0.981 7.451 403 HD21 LEU 49 1HD2 LEU 49 12.329 -2.595 9.432 404 HD22 LEU 49 2HD2 LEU 49 12.890 -2.531 7.762 405 HD23 LEU 49 3HD2 LEU 49 12.336 -4.057 8.445 406 H PHE 50 H PHE 50 7.301 -5.059 9.048 407 HA PHE 50 HA PHE 50 6.699 -4.940 11.794 408 HB2 PHE 50 2HB PHE 50 5.024 -4.465 10.074 409 HB3 PHE 50 1HB PHE 50 5.089 -6.135 9.526 410 HD1 PHE 50 1HD PHE 50 4.191 -3.994 12.415 411 HD2 PHE 50 2HD PHE 50 3.732 -7.774 10.511 412 HE1 PHE 50 1HE PHE 50 2.401 -4.573 14.003 413 HE2 PHE 50 2HE PHE 50 1.942 -8.359 12.094 414 HZ PHE 50 HZ PHE 50 1.275 -6.757 13.842 415 H ASP 51 H ASP 51 7.026 -7.707 9.599 416 HA ASP 51 HA ASP 51 6.404 -9.667 11.543 417 HB2 ASP 51 2HB ASP 51 6.197 -10.150 9.168 418 HB3 ASP 51 1HB ASP 51 7.930 -9.930 8.946 419 H ASN 52 H ASN 52 9.401 -8.101 10.635 420 HA ASN 52 HA ASN 52 11.059 -9.949 12.052 421 HB2 ASN 52 2HB ASN 52 11.573 -7.223 10.896 422 HB3 ASN 52 1HB ASN 52 12.784 -8.055 11.862 423 HD21 ASN 52 1HD2 ASN 52 11.966 -10.701 10.845 424 HD22 ASN 52 2HD2 ASN 52 12.582 -10.789 9.239 425 H ARG 53 H ARG 53 9.316 -7.071 12.928 426 HA ARG 53 HA ARG 53 10.732 -6.718 15.394 427 HB2 ARG 53 2HB ARG 53 8.079 -5.613 14.462 428 HB3 ARG 53 1HB ARG 53 8.840 -5.184 15.985 429 HG2 ARG 53 2HG ARG 53 9.837 -4.600 13.206 430 HG3 ARG 53 1HG ARG 53 9.302 -3.447 14.429 431 HD2 ARG 53 2HD ARG 53 11.788 -5.151 14.460 432 HD3 ARG 53 1HD ARG 53 11.687 -3.394 14.378 433 HE ARG 53 HE ARG 53 10.481 -3.875 16.709 434 HH11 ARG 53 1HH1 ARG 53 13.524 -5.036 15.398 435 HH12 ARG 53 2HH1 ARG 53 14.229 -5.308 16.955 436 HH21 ARG 53 1HH2 ARG 53 11.418 -4.237 18.762 437 HH22 ARG 53 2HH2 ARG 53 13.036 -4.850 18.873 438 H GLN 54 H GLN 54 7.744 -8.306 14.405 439 HA GLN 54 HA GLN 54 7.860 -10.195 16.482 440 HB2 GLN 54 2HB GLN 54 7.141 -8.181 17.812 441 HB3 GLN 54 1HB GLN 54 5.679 -8.127 16.838 442 HG2 GLN 54 2HG GLN 54 5.090 -10.371 17.633 443 HG3 GLN 54 1HG GLN 54 6.533 -10.377 18.641 444 HE21 GLN 54 1HE2 GLN 54 5.311 -10.621 20.501 445 HE22 GLN 54 2HE2 GLN 54 4.400 -9.314 21.170 446 H GLU 55 H GLU 55 6.113 -11.753 16.318 447 HA GLU 55 HA GLU 55 5.068 -11.877 13.649 448 HB2 GLU 55 2HB GLU 55 4.313 -14.096 14.161 449 HB3 GLU 55 1HB GLU 55 5.903 -13.910 14.873 450 HG2 GLU 55 2HG GLU 55 3.279 -13.779 16.353 451 HG3 GLU 55 1HG GLU 55 4.385 -15.148 16.327 452 H ALA 56 H ALA 56 3.800 -11.277 16.869 453 HA ALA 56 HA ALA 56 1.814 -10.485 17.645 454 HB1 ALA 56 1HB ALA 56 1.648 -9.239 14.896 455 HB2 ALA 56 2HB ALA 56 2.478 -8.548 16.290 456 HB3 ALA 56 3HB ALA 56 0.726 -8.745 16.316 457 H ALA 57 H ALA 57 1.619 -13.037 16.958 458 HA ALA 57 HA ALA 57 0.180 -14.725 16.536 459 HB1 ALA 57 1HB ALA 57 -2.215 -14.292 16.218 460 HB2 ALA 57 2HB ALA 57 -1.883 -12.571 16.025 461 HB3 ALA 57 3HB ALA 57 -1.575 -13.359 17.571 462 H ASP 58 H ASP 58 0.663 -15.862 14.853 463 HA ASP 58 HA ASP 58 1.361 -14.820 12.357 464 HB2 ASP 58 2HB ASP 58 0.539 -17.655 13.008 465 HB3 ASP 58 1HB ASP 58 1.451 -17.142 11.598 466 H THR 59 H THR 59 -1.605 -16.397 13.447 467 HA THR 59 HA THR 59 -2.847 -16.450 10.935 468 HB THR 59 HB THR 59 -3.648 -17.851 12.764 469 HG1 THR 59 1HG THR 59 -5.307 -17.689 11.464 470 HG21 THR 59 1HG2 THR 59 -3.309 -16.309 14.637 471 HG22 THR 59 2HG2 THR 59 -4.962 -16.920 14.614 472 HG23 THR 59 3HG2 THR 59 -4.618 -15.288 14.040 473 H GLU 60 H GLU 60 -2.803 -13.969 13.467 474 HA GLU 60 HA GLU 60 -4.813 -12.344 12.293 475 HB2 GLU 60 2HB GLU 60 -4.234 -12.143 14.658 476 HB3 GLU 60 1HB GLU 60 -2.613 -11.614 14.231 477 HG2 GLU 60 2HG GLU 60 -3.494 -9.596 13.237 478 HG3 GLU 60 1HG GLU 60 -5.142 -10.135 13.549 479 H ALA 61 H ALA 61 -1.274 -12.288 12.189 480 HA ALA 61 HA ALA 61 -1.029 -9.994 10.571 481 HB1 ALA 61 1HB ALA 61 0.855 -12.340 10.814 482 HB2 ALA 61 2HB ALA 61 0.833 -10.926 11.867 483 HB3 ALA 61 3HB ALA 61 1.256 -10.751 10.164 484 H ALA 62 H ALA 62 -1.426 -13.409 9.831 485 HA ALA 62 HA ALA 62 -0.950 -13.291 7.072 486 HB1 ALA 62 1HB ALA 62 -1.040 -15.393 8.317 487 HB2 ALA 62 2HB ALA 62 -2.157 -15.414 6.952 488 HB3 ALA 62 3HB ALA 62 -2.767 -15.164 8.588 489 H LYS 63 H LYS 63 -3.860 -12.674 8.973 490 HA LYS 63 HA LYS 63 -5.651 -12.574 6.775 491 HB2 LYS 63 2HB LYS 63 -5.928 -11.095 9.396 492 HB3 LYS 63 1HB LYS 63 -7.219 -11.523 8.284 493 HG2 LYS 63 2HG LYS 63 -5.542 -13.443 9.877 494 HG3 LYS 63 1HG LYS 63 -7.205 -12.974 10.223 495 HD2 LYS 63 2HD LYS 63 -8.006 -14.051 8.267 496 HD3 LYS 63 1HD LYS 63 -6.372 -14.264 7.636 497 HE2 LYS 63 2HE LYS 63 -7.309 -16.345 8.561 498 HE3 LYS 63 1HE LYS 63 -5.848 -15.827 9.395 499 HZ1 LYS 63 1HZ LYS 63 -8.619 -15.379 10.366 500 HZ2 LYS 63 2HZ LYS 63 -7.199 -14.952 11.180 501 HZ3 LYS 63 3HZ LYS 63 -7.569 -16.579 10.924 502 H GLN 64 H GLN 64 -3.789 -10.099 8.471 503 HA GLN 64 HA GLN 64 -4.818 -7.900 7.024 504 HB2 GLN 64 2HB GLN 64 -3.653 -7.711 9.212 505 HB3 GLN 64 1HB GLN 64 -2.150 -8.177 8.439 506 HG2 GLN 64 2HG GLN 64 -3.662 -5.759 7.515 507 HG3 GLN 64 1HG GLN 64 -2.606 -5.685 8.922 508 HE21 GLN 64 1HE2 GLN 64 -2.421 -4.360 6.319 509 HE22 GLN 64 2HE2 GLN 64 -0.876 -4.792 5.679 510 H GLY 65 H GLY 65 -1.976 -9.951 6.602 511 HA2 GLY 65 2HA GLY 65 -0.920 -8.531 4.394 512 HA3 GLY 65 1HA GLY 65 -0.510 -10.175 4.858 513 H ASP 66 H ASP 66 -2.963 -11.430 4.598 514 HA ASP 66 HA ASP 66 -2.945 -12.043 1.861 515 HB2 ASP 66 2HB ASP 66 -3.715 -13.562 3.690 516 HB3 ASP 66 1HB ASP 66 -5.186 -12.602 3.807 517 H GLN 67 H GLN 67 -5.135 -10.006 3.750 518 HA GLN 67 HA GLN 67 -6.914 -9.530 1.583 519 HB2 GLN 67 2HB GLN 67 -6.498 -7.944 4.121 520 HB3 GLN 67 1HB GLN 67 -7.825 -7.713 2.993 521 HG2 GLN 67 2HG GLN 67 -7.275 -10.148 4.673 522 HG3 GLN 67 1HG GLN 67 -8.592 -8.993 4.864 523 HE21 GLN 67 1HE2 GLN 67 -8.669 -11.871 4.454 524 HE22 GLN 67 2HE2 GLN 67 -9.614 -12.127 3.029 525 H TRP 68 H TRP 68 -4.092 -7.822 2.851 526 HA TRP 68 HA TRP 68 -4.408 -5.538 1.228 527 HB2 TRP 68 2HB TRP 68 -3.093 -5.429 3.240 528 HB3 TRP 68 1HB TRP 68 -2.011 -6.687 2.656 529 HD1 TRP 68 HD TRP 68 0.137 -5.838 1.707 530 HE1 TRP 68 1HE TRP 68 0.996 -3.618 0.697 531 HE3 TRP 68 3HE TRP 68 -4.223 -3.198 1.757 532 HZ2 TRP 68 2HZ TRP 68 -0.055 -1.091 0.011 533 HZ3 TRP 68 3HZ TRP 68 -4.222 -0.889 0.906 534 HH2 TRP 68 HH TRP 68 -2.181 0.141 0.052 535 H VAL 69 H VAL 69 -2.452 -8.492 0.886 536 HA VAL 69 HA VAL 69 -1.231 -7.791 -1.554 537 HB VAL 69 HB VAL 69 -1.857 -10.538 -0.432 538 HG11 VAL 69 1HG1 VAL 69 -0.016 -9.801 -2.709 539 HG12 VAL 69 2HG1 VAL 69 -1.556 -10.646 -2.862 540 HG13 VAL 69 3HG1 VAL 69 -0.213 -11.410 -2.013 541 HG21 VAL 69 1HG2 VAL 69 -0.350 -9.223 0.959 542 HG22 VAL 69 2HG2 VAL 69 0.681 -8.902 -0.435 543 HG23 VAL 69 3HG2 VAL 69 0.522 -10.546 0.184 544 H GLN 70 H GLN 70 -4.270 -9.474 -0.842 545 HA GLN 70 HA GLN 70 -4.926 -10.148 -3.483 546 HB2 GLN 70 2HB GLN 70 -5.996 -11.075 -1.437 547 HB3 GLN 70 1HB GLN 70 -6.806 -9.534 -1.203 548 HG2 GLN 70 2HG GLN 70 -8.296 -11.102 -2.210 549 HG3 GLN 70 1HG GLN 70 -7.928 -9.815 -3.357 550 HE21 GLN 70 1HE2 GLN 70 -8.412 -11.032 -5.147 551 HE22 GLN 70 2HE2 GLN 70 -7.443 -12.355 -5.685 552 H LEU 71 H LEU 71 -5.638 -7.266 -1.521 553 HA LEU 71 HA LEU 71 -7.276 -5.993 -3.393 554 HB2 LEU 71 2HB LEU 71 -7.277 -5.337 -1.084 555 HB3 LEU 71 1HB LEU 71 -5.567 -4.958 -1.139 556 HG LEU 71 HG LEU 71 -6.066 -3.156 -2.724 557 HD11 LEU 71 1HD1 LEU 71 -8.175 -3.959 -3.625 558 HD12 LEU 71 2HD1 LEU 71 -8.388 -2.353 -2.927 559 HD13 LEU 71 3HD1 LEU 71 -8.939 -3.778 -2.046 560 HD21 LEU 71 1HD2 LEU 71 -7.468 -2.996 -0.061 561 HD22 LEU 71 2HD2 LEU 71 -6.988 -1.613 -1.045 562 HD23 LEU 71 3HD2 LEU 71 -5.760 -2.681 -0.365 563 H PHE 72 H PHE 72 -3.787 -5.926 -2.797 564 HA PHE 72 HA PHE 72 -3.143 -3.935 -4.674 565 HB2 PHE 72 2HB PHE 72 -1.563 -4.711 -2.944 566 HB3 PHE 72 1HB PHE 72 -1.454 -6.273 -3.747 567 HD1 PHE 72 1HD PHE 72 -0.900 -2.642 -4.357 568 HD2 PHE 72 2HD PHE 72 0.217 -6.637 -5.315 569 HE1 PHE 72 1HE PHE 72 0.954 -1.789 -5.730 570 HE2 PHE 72 2HE PHE 72 2.074 -5.790 -6.691 571 HZ PHE 72 HZ PHE 72 2.444 -3.365 -6.899 572 H GLN 73 H GLN 73 -3.376 -7.466 -4.961 573 HA GLN 73 HA GLN 73 -2.579 -7.671 -7.642 574 HB2 GLN 73 2HB GLN 73 -2.801 -9.634 -6.191 575 HB3 GLN 73 1HB GLN 73 -4.544 -9.403 -6.132 576 HG2 GLN 73 2HG GLN 73 -4.634 -9.749 -8.581 577 HG3 GLN 73 1HG GLN 73 -2.907 -10.094 -8.565 578 HE21 GLN 73 1HE2 GLN 73 -5.149 -11.772 -9.363 579 HE22 GLN 73 2HE2 GLN 73 -5.055 -13.188 -8.380 580 H ARG 74 H ARG 74 -5.775 -7.218 -6.196 581 HA ARG 74 HA ARG 74 -7.279 -7.247 -8.554 582 HB2 ARG 74 2HB ARG 74 -8.386 -7.390 -6.428 583 HB3 ARG 74 1HB ARG 74 -7.736 -5.838 -5.921 584 HG2 ARG 74 2HG ARG 74 -9.078 -4.739 -7.676 585 HG3 ARG 74 1HG ARG 74 -9.775 -6.306 -8.089 586 HD2 ARG 74 2HD ARG 74 -10.851 -6.486 -5.993 587 HD3 ARG 74 1HD ARG 74 -9.906 -5.161 -5.312 588 HE ARG 74 HE ARG 74 -11.673 -4.560 -7.556 589 HH11 ARG 74 1HH1 ARG 74 -11.167 -4.468 -4.078 590 HH12 ARG 74 2HH1 ARG 74 -12.245 -3.129 -3.821 591 HH21 ARG 74 1HH2 ARG 74 -13.118 -2.811 -7.211 592 HH22 ARG 74 2HH2 ARG 74 -13.337 -2.165 -5.611 593 H PHE 75 H PHE 75 -5.628 -4.582 -6.898 594 HA PHE 75 HA PHE 75 -6.601 -2.546 -8.598 595 HB2 PHE 75 2HB PHE 75 -5.632 -2.122 -6.351 596 HB3 PHE 75 1HB PHE 75 -4.046 -2.561 -6.975 597 HD1 PHE 75 1HD PHE 75 -6.653 -0.022 -6.901 598 HD2 PHE 75 2HD PHE 75 -2.856 -1.072 -8.502 599 HE1 PHE 75 1HE PHE 75 -6.307 2.313 -7.595 600 HE2 PHE 75 2HE PHE 75 -2.502 1.257 -9.200 601 HZ PHE 75 HZ PHE 75 -4.227 2.955 -8.746 602 H ARG 76 H ARG 76 -3.527 -4.362 -8.600 603 HA ARG 76 HA ARG 76 -2.546 -3.049 -10.899 604 HB2 ARG 76 2HB ARG 76 -0.821 -4.822 -11.033 605 HB3 ARG 76 1HB ARG 76 -0.945 -4.112 -9.437 606 HG2 ARG 76 2HG ARG 76 -0.640 -6.395 -9.058 607 HG3 ARG 76 1HG ARG 76 -2.369 -6.139 -8.832 608 HD2 ARG 76 2HD ARG 76 -1.887 -8.181 -10.123 609 HD3 ARG 76 1HD ARG 76 -2.820 -7.009 -11.050 610 HE ARG 76 HE ARG 76 -0.035 -6.705 -11.528 611 HH11 ARG 76 1HH1 ARG 76 -2.788 -8.732 -12.342 612 HH12 ARG 76 2HH1 ARG 76 -2.118 -9.270 -13.833 613 HH21 ARG 76 1HH2 ARG 76 0.850 -7.410 -13.512 614 HH22 ARG 76 2HH2 ARG 76 -0.023 -8.529 -14.499 615 H GLU 77 H GLU 77 -4.567 -5.846 -10.483 616 HA GLU 77 HA GLU 77 -4.362 -6.951 -13.045 617 HB2 GLU 77 2HB GLU 77 -5.543 -7.863 -10.950 618 HB3 GLU 77 1HB GLU 77 -6.909 -6.873 -11.440 619 HG2 GLU 77 2HG GLU 77 -7.228 -9.126 -12.195 620 HG3 GLU 77 1HG GLU 77 -6.970 -8.070 -13.585 621 H ALA 78 H ALA 78 -6.554 -4.492 -11.738 622 HA ALA 78 HA ALA 78 -7.970 -4.049 -14.137 623 HB1 ALA 78 1HB ALA 78 -8.836 -3.378 -11.958 624 HB2 ALA 78 2HB ALA 78 -8.767 -2.004 -13.061 625 HB3 ALA 78 3HB ALA 78 -7.544 -2.189 -11.803 626 H ILE 79 H ILE 79 -5.040 -2.648 -12.779 627 HA ILE 79 HA ILE 79 -4.658 -0.566 -14.657 628 HB ILE 79 HB ILE 79 -2.660 -2.150 -13.017 629 HG12 ILE 79 2HG1 ILE 79 -4.293 -0.711 -11.776 630 HG13 ILE 79 1HG1 ILE 79 -2.610 -0.265 -11.528 631 HG21 ILE 79 1HG2 ILE 79 -2.157 0.346 -14.630 632 HG22 ILE 79 2HG2 ILE 79 -1.518 -1.264 -14.961 633 HG23 ILE 79 3HG2 ILE 79 -1.018 -0.398 -13.508 634 HD11 ILE 79 1HD1 ILE 79 -3.994 1.701 -11.780 635 HD12 ILE 79 2HD1 ILE 79 -4.570 1.123 -13.343 636 HD13 ILE 79 3HD1 ILE 79 -2.876 1.564 -13.136 637 H ASP 80 H ASP 80 -3.494 -3.907 -14.533 638 HA ASP 80 HA ASP 80 -1.989 -3.801 -16.927 639 HB2 ASP 80 2HB ASP 80 -1.568 -5.465 -15.174 640 HB3 ASP 80 1HB ASP 80 -3.141 -6.193 -15.479 641 H LYS 81 H LYS 81 -5.322 -4.662 -16.230 642 HA LYS 81 HA LYS 81 -5.810 -5.556 -18.929 643 HB2 LYS 81 2HB LYS 81 -7.677 -5.032 -16.619 644 HB3 LYS 81 1HB LYS 81 -8.206 -5.618 -18.189 645 HG2 LYS 81 2HG LYS 81 -6.757 -7.594 -17.897 646 HG3 LYS 81 1HG LYS 81 -6.348 -7.014 -16.282 647 HD2 LYS 81 2HD LYS 81 -8.670 -7.148 -15.612 648 HD3 LYS 81 1HD LYS 81 -9.137 -7.628 -17.245 649 HE2 LYS 81 2HE LYS 81 -7.775 -9.654 -17.024 650 HE3 LYS 81 1HE LYS 81 -7.348 -9.181 -15.381 651 HZ1 LYS 81 1HZ LYS 81 -9.158 -10.793 -15.445 652 HZ2 LYS 81 2HZ LYS 81 -10.103 -9.715 -16.341 653 HZ3 LYS 81 3HZ LYS 81 -9.658 -9.331 -14.758 654 H GLY 82 H GLY 82 -5.585 -2.561 -17.434 655 HA2 GLY 82 2HA GLY 82 -5.868 -0.447 -18.288 656 HA3 GLY 82 1HA GLY 82 -6.307 -1.187 -19.820 657 H ASP 83 H ASP 83 -7.962 -1.811 -16.791 658 HA ASP 83 HA ASP 83 -10.385 -0.730 -18.026 659 HB2 ASP 83 2HB ASP 83 -10.462 -3.061 -17.192 660 HB3 ASP 83 1HB ASP 83 -10.149 -2.464 -15.564 661 H LYS 84 H LYS 84 -10.328 1.409 -17.658 662 HA LYS 84 HA LYS 84 -9.486 2.554 -15.197 663 HB2 LYS 84 2HB LYS 84 -11.043 3.780 -17.476 664 HB3 LYS 84 1HB LYS 84 -10.344 4.676 -16.135 665 HG2 LYS 84 2HG LYS 84 -8.104 3.864 -16.826 666 HG3 LYS 84 1HG LYS 84 -8.858 3.115 -18.235 667 HD2 LYS 84 2HD LYS 84 -9.665 5.308 -18.968 668 HD3 LYS 84 1HD LYS 84 -8.912 6.056 -17.558 669 HE2 LYS 84 2HE LYS 84 -6.715 5.226 -18.350 670 HE3 LYS 84 1HE LYS 84 -7.506 4.603 -19.796 671 HZ1 LYS 84 1HZ LYS 84 -7.385 7.448 -18.961 672 HZ2 LYS 84 2HZ LYS 84 -8.188 6.873 -20.330 673 HZ3 LYS 84 3HZ LYS 84 -6.512 6.744 -20.224 674 H ASP 85 H ASP 85 -12.492 1.335 -16.345 675 HA ASP 85 HA ASP 85 -14.305 2.835 -14.833 676 HB2 ASP 85 2HB ASP 85 -15.038 1.337 -16.611 677 HB3 ASP 85 1HB ASP 85 -14.465 -0.059 -15.707 678 H SER 86 H SER 86 -12.737 -0.272 -14.034 679 HA SER 86 HA SER 86 -13.772 -0.285 -11.379 680 HB2 SER 86 2HB SER 86 -12.060 -2.124 -11.024 681 HB3 SER 86 1HB SER 86 -13.230 -2.413 -12.308 682 HG SER 86 HG SER 86 -11.659 -1.793 -13.816 683 H LEU 87 H LEU 87 -10.842 0.904 -12.870 684 HA LEU 87 HA LEU 87 -9.256 1.238 -10.597 685 HB2 LEU 87 2HB LEU 87 -9.314 2.781 -13.177 686 HB3 LEU 87 1HB LEU 87 -8.097 3.021 -11.941 687 HG LEU 87 HG LEU 87 -8.583 0.428 -13.407 688 HD11 LEU 87 1HD1 LEU 87 -6.453 0.883 -14.504 689 HD12 LEU 87 2HD1 LEU 87 -6.371 2.452 -13.703 690 HD13 LEU 87 3HD1 LEU 87 -7.642 2.128 -14.880 691 HD21 LEU 87 1HD2 LEU 87 -6.470 -0.247 -12.362 692 HD22 LEU 87 2HD2 LEU 87 -7.740 0.058 -11.180 693 HD23 LEU 87 3HD2 LEU 87 -6.466 1.252 -11.436 694 H GLU 88 H GLU 88 -11.649 3.432 -12.012 695 HA GLU 88 HA GLU 88 -11.104 5.604 -10.314 696 HB2 GLU 88 2HB GLU 88 -13.682 4.829 -11.664 697 HB3 GLU 88 1HB GLU 88 -13.373 6.383 -10.903 698 HG2 GLU 88 2HG GLU 88 -11.505 6.736 -12.477 699 HG3 GLU 88 1HG GLU 88 -11.943 5.229 -13.280 700 H GLN 89 H GLN 89 -13.262 2.843 -9.943 701 HA GLN 89 HA GLN 89 -14.362 3.686 -7.454 702 HB2 GLN 89 2HB GLN 89 -14.166 0.952 -8.732 703 HB3 GLN 89 1HB GLN 89 -15.036 1.271 -7.239 704 HG2 GLN 89 2HG GLN 89 -15.644 2.510 -9.916 705 HG3 GLN 89 1HG GLN 89 -16.524 1.174 -9.175 706 HE21 GLN 89 1HE2 GLN 89 -17.458 3.822 -9.972 707 HE22 GLN 89 2HE2 GLN 89 -18.128 4.540 -8.549 708 H LEU 90 H LEU 90 -11.627 1.732 -8.423 709 HA LEU 90 HA LEU 90 -10.838 0.764 -5.923 710 HB2 LEU 90 2HB LEU 90 -9.419 1.260 -8.503 711 HB3 LEU 90 1HB LEU 90 -8.507 0.786 -7.086 712 HG LEU 90 HG LEU 90 -10.816 -0.837 -8.143 713 HD11 LEU 90 1HD1 LEU 90 -7.882 -1.022 -8.792 714 HD12 LEU 90 2HD1 LEU 90 -9.214 -0.749 -9.916 715 HD13 LEU 90 3HD1 LEU 90 -9.048 -2.305 -9.106 716 HD21 LEU 90 1HD2 LEU 90 -9.753 -2.613 -6.836 717 HD22 LEU 90 2HD2 LEU 90 -10.193 -1.241 -5.820 718 HD23 LEU 90 3HD2 LEU 90 -8.513 -1.479 -6.303 719 H LEU 91 H LEU 91 -10.189 3.829 -7.517 720 HA LEU 91 HA LEU 91 -8.119 4.738 -5.871 721 HB2 LEU 91 2HB LEU 91 -10.280 6.356 -7.220 722 HB3 LEU 91 1HB LEU 91 -8.795 7.009 -6.559 723 HG LEU 91 HG LEU 91 -8.996 5.094 -8.885 724 HD11 LEU 91 1HD1 LEU 91 -8.313 8.026 -8.794 725 HD12 LEU 91 2HD1 LEU 91 -9.793 7.319 -9.442 726 HD13 LEU 91 3HD1 LEU 91 -8.245 6.994 -10.222 727 HD21 LEU 91 1HD2 LEU 91 -6.593 5.527 -9.162 728 HD22 LEU 91 2HD2 LEU 91 -6.945 4.734 -7.628 729 HD23 LEU 91 3HD2 LEU 91 -6.595 6.462 -7.668 730 H GLU 92 H GLU 92 -11.621 4.939 -5.449 731 HA GLU 92 HA GLU 92 -11.499 6.532 -3.098 732 HB2 GLU 92 2HB GLU 92 -13.677 4.754 -4.191 733 HB3 GLU 92 1HB GLU 92 -13.873 5.793 -2.788 734 HG2 GLU 92 2HG GLU 92 -13.232 6.700 -5.588 735 HG3 GLU 92 1HG GLU 92 -14.795 6.825 -4.785 736 H GLU 93 H GLU 93 -11.738 3.054 -3.685 737 HA GLU 93 HA GLU 93 -11.918 2.278 -0.966 738 HB2 GLU 93 2HB GLU 93 -10.930 0.778 -3.396 739 HB3 GLU 93 1HB GLU 93 -11.147 0.045 -1.816 740 HG2 GLU 93 2HG GLU 93 -13.537 0.598 -1.906 741 HG3 GLU 93 1HG GLU 93 -13.301 1.284 -3.514 742 H LEU 94 H LEU 94 -9.266 2.948 -3.120 743 HA LEU 94 HA LEU 94 -7.142 1.871 -1.655 744 HB2 LEU 94 2HB LEU 94 -7.106 2.677 -4.023 745 HB3 LEU 94 1HB LEU 94 -7.117 4.318 -3.416 746 HG LEU 94 HG LEU 94 -4.944 3.865 -2.293 747 HD11 LEU 94 1HD1 LEU 94 -5.103 1.279 -3.838 748 HD12 LEU 94 2HD1 LEU 94 -5.114 1.452 -2.082 749 HD13 LEU 94 3HD1 LEU 94 -3.675 1.887 -3.002 750 HD21 LEU 94 1HD2 LEU 94 -5.057 4.974 -4.466 751 HD22 LEU 94 2HD2 LEU 94 -5.022 3.406 -5.274 752 HD23 LEU 94 3HD2 LEU 94 -3.626 3.953 -4.348 753 H GLU 95 H GLU 95 -8.573 5.111 -1.640 754 HA GLU 95 HA GLU 95 -6.878 6.366 0.160 755 HB2 GLU 95 2HB GLU 95 -9.822 6.719 -0.368 756 HB3 GLU 95 1HB GLU 95 -8.922 7.769 0.718 757 HG2 GLU 95 2HG GLU 95 -8.107 7.329 -2.132 758 HG3 GLU 95 1HG GLU 95 -9.259 8.574 -1.655 759 H GLN 96 H GLN 96 -9.786 4.469 0.789 760 HA GLN 96 HA GLN 96 -9.848 4.811 3.578 761 HB2 GLN 96 2HB GLN 96 -10.887 2.496 1.939 762 HB3 GLN 96 1HB GLN 96 -11.349 2.873 3.592 763 HG2 GLN 96 2HG GLN 96 -11.843 4.624 1.193 764 HG3 GLN 96 1HG GLN 96 -13.034 3.584 1.972 765 HE21 GLN 96 1HE2 GLN 96 -13.857 4.167 3.959 766 HE22 GLN 96 2HE2 GLN 96 -13.681 5.759 4.611 767 H ALA 97 H ALA 97 -8.329 2.359 1.539 768 HA ALA 97 HA ALA 97 -7.553 0.625 3.617 769 HB1 ALA 97 1HB ALA 97 -6.263 0.978 0.915 770 HB2 ALA 97 2HB ALA 97 -7.661 -0.041 1.256 771 HB3 ALA 97 3HB ALA 97 -6.098 -0.417 1.983 772 H LEU 98 H LEU 98 -5.768 3.249 1.981 773 HA LEU 98 HA LEU 98 -3.397 2.808 3.462 774 HB2 LEU 98 2HB LEU 98 -4.355 5.068 1.757 775 HB3 LEU 98 1HB LEU 98 -2.903 5.251 2.717 776 HG LEU 98 HG LEU 98 -2.370 4.643 0.423 777 HD11 LEU 98 1HD1 LEU 98 -1.792 2.425 2.379 778 HD12 LEU 98 2HD1 LEU 98 -0.866 3.910 2.178 779 HD13 LEU 98 3HD1 LEU 98 -0.921 2.722 0.877 780 HD21 LEU 98 1HD2 LEU 98 -3.901 2.102 0.955 781 HD22 LEU 98 2HD2 LEU 98 -2.937 2.446 -0.481 782 HD23 LEU 98 3HD2 LEU 98 -4.386 3.393 -0.144 783 H GLN 99 H GLN 99 -6.146 4.946 3.992 784 HA GLN 99 HA GLN 99 -5.029 6.331 6.180 785 HB2 GLN 99 2HB GLN 99 -7.902 5.730 5.473 786 HB3 GLN 99 1HB GLN 99 -7.433 6.768 6.812 787 HG2 GLN 99 2HG GLN 99 -6.372 8.311 5.300 788 HG3 GLN 99 1HG GLN 99 -6.684 7.232 3.942 789 HE21 GLN 99 1HE2 GLN 99 -7.834 8.802 2.843 790 HE22 GLN 99 2HE2 GLN 99 -9.430 9.277 3.316 791 H LYS 100 H LYS 100 -6.844 3.335 5.924 792 HA LYS 100 HA LYS 100 -7.194 2.824 8.658 793 HB2 LYS 100 2HB LYS 100 -8.430 1.598 6.988 794 HB3 LYS 100 1HB LYS 100 -6.947 0.960 6.297 795 HG2 LYS 100 2HG LYS 100 -6.543 -0.291 8.377 796 HG3 LYS 100 1HG LYS 100 -8.076 0.313 9.012 797 HD2 LYS 100 2HD LYS 100 -9.278 -0.770 7.198 798 HD3 LYS 100 1HD LYS 100 -7.756 -1.320 6.497 799 HE2 LYS 100 2HE LYS 100 -7.316 -2.690 8.437 800 HE3 LYS 100 1HE LYS 100 -8.764 -2.078 9.232 801 HZ1 LYS 100 1HZ LYS 100 -8.740 -3.631 6.705 802 HZ2 LYS 100 2HZ LYS 100 -10.110 -3.104 7.543 803 HZ3 LYS 100 3HZ LYS 100 -9.095 -4.263 8.229 804 H ILE 101 H ILE 101 -4.624 1.824 6.414 805 HA ILE 101 HA ILE 101 -3.152 0.307 8.283 806 HB ILE 101 HB ILE 101 -2.191 1.717 5.778 807 HG12 ILE 101 2HG1 ILE 101 -2.975 -1.170 6.248 808 HG13 ILE 101 1HG1 ILE 101 -3.957 0.027 5.410 809 HG21 ILE 101 1HG2 ILE 101 -0.322 1.234 7.278 810 HG22 ILE 101 2HG2 ILE 101 -0.271 0.190 5.858 811 HG23 ILE 101 3HG2 ILE 101 -0.842 -0.447 7.400 812 HD11 ILE 101 1HD1 ILE 101 -2.232 0.224 3.689 813 HD12 ILE 101 2HD1 ILE 101 -2.827 -1.429 3.839 814 HD13 ILE 101 3HD1 ILE 101 -1.265 -0.988 4.529 815 H ARG 102 H ARG 102 -2.957 3.693 7.293 816 HA ARG 102 HA ARG 102 -0.627 4.306 8.736 817 HB2 ARG 102 2HB ARG 102 -1.574 5.693 6.893 818 HB3 ARG 102 1HB ARG 102 -2.856 6.202 7.982 819 HG2 ARG 102 2HG ARG 102 -1.040 7.859 7.761 820 HG3 ARG 102 1HG ARG 102 -1.271 7.301 9.420 821 HD2 ARG 102 2HD ARG 102 0.611 5.771 9.185 822 HD3 ARG 102 1HD ARG 102 0.823 6.265 7.507 823 HE ARG 102 HE ARG 102 1.818 8.222 8.218 824 HH11 ARG 102 1HH1 ARG 102 0.492 6.494 10.983 825 HH12 ARG 102 2HH1 ARG 102 1.349 7.444 12.152 826 HH21 ARG 102 1HH2 ARG 102 2.937 9.463 9.729 827 HH22 ARG 102 2HH2 ARG 102 2.730 9.174 11.428 828 H GLU 103 H GLU 103 -4.045 4.427 9.624 829 HA GLU 103 HA GLU 103 -3.594 5.646 12.156 830 HB2 GLU 103 2HB GLU 103 -5.944 4.074 11.102 831 HB3 GLU 103 1HB GLU 103 -5.931 4.899 12.653 832 HG2 GLU 103 2HG GLU 103 -5.655 6.178 9.942 833 HG3 GLU 103 1HG GLU 103 -7.068 6.235 10.995 834 H LEU 104 H LEU 104 -3.743 2.318 11.030 835 HA LEU 104 HA LEU 104 -3.807 1.080 13.572 836 HB2 LEU 104 2HB LEU 104 -2.733 0.084 10.933 837 HB3 LEU 104 1HB LEU 104 -2.866 -0.913 12.367 838 HG LEU 104 HG LEU 104 -5.172 0.367 10.896 839 HD11 LEU 104 1HD1 LEU 104 -4.160 -1.448 9.635 840 HD12 LEU 104 2HD1 LEU 104 -5.741 -1.921 10.258 841 HD13 LEU 104 3HD1 LEU 104 -4.274 -2.506 11.042 842 HD21 LEU 104 1HD2 LEU 104 -5.646 0.180 13.271 843 HD22 LEU 104 2HD2 LEU 104 -5.130 -1.506 13.263 844 HD23 LEU 104 3HD2 LEU 104 -6.572 -1.022 12.371 845 H ALA 105 H ALA 105 -1.219 2.373 11.622 846 HA ALA 105 HA ALA 105 0.933 1.257 13.096 847 HB1 ALA 105 1HB ALA 105 0.871 3.789 11.451 848 HB2 ALA 105 2HB ALA 105 1.209 2.172 10.834 849 HB3 ALA 105 3HB ALA 105 2.317 2.929 11.978 850 H GLU 106 H GLU 106 -1.188 3.925 13.606 851 HA GLU 106 HA GLU 106 0.486 5.180 15.596 852 HB2 GLU 106 2HB GLU 106 -2.296 5.753 14.603 853 HB3 GLU 106 1HB GLU 106 -1.547 6.646 15.917 854 HG2 GLU 106 2HG GLU 106 -0.514 6.457 13.099 855 HG3 GLU 106 1HG GLU 106 -1.360 7.832 13.808 856 H LYS 107 H LYS 107 -1.393 2.487 15.598 857 HA LYS 107 HA LYS 107 -2.628 2.857 18.177 858 HB2 LYS 107 2HB LYS 107 -3.765 1.459 16.548 859 HB3 LYS 107 1HB LYS 107 -2.360 0.415 16.412 860 HG2 LYS 107 2HG LYS 107 -2.667 -0.328 18.715 861 HG3 LYS 107 1HG LYS 107 -4.051 0.753 18.887 862 HD2 LYS 107 2HD LYS 107 -5.249 -0.466 17.157 863 HD3 LYS 107 1HD LYS 107 -3.849 -1.507 16.896 864 HE2 LYS 107 2HE LYS 107 -5.336 -1.294 19.511 865 HE3 LYS 107 1HE LYS 107 -5.663 -2.522 18.292 866 HZ1 LYS 107 1HZ LYS 107 -3.273 -3.180 18.518 867 HZ2 LYS 107 2HZ LYS 107 -4.219 -3.481 19.873 868 HZ3 LYS 107 3HZ LYS 107 -3.162 -2.169 19.873 869 H LYS 108 H LYS 108 -1.042 3.208 19.673 870 HA LYS 108 HA LYS 108 1.156 1.324 19.901 871 HB2 LYS 108 2HB LYS 108 0.425 3.836 21.399 872 HB3 LYS 108 1HB LYS 108 1.656 2.744 22.008 873 HG2 LYS 108 2HG LYS 108 2.779 4.473 20.849 874 HG3 LYS 108 1HG LYS 108 2.862 3.044 19.821 875 HD2 LYS 108 2HD LYS 108 1.031 3.900 18.463 876 HD3 LYS 108 1HD LYS 108 0.887 5.304 19.521 877 HE2 LYS 108 2HE LYS 108 3.296 4.582 17.852 878 HE3 LYS 108 1HE LYS 108 2.123 5.843 17.479 879 HZ1 LYS 108 1HZ LYS 108 4.058 6.804 18.487 880 HZ2 LYS 108 2HZ LYS 108 3.956 5.777 19.815 881 HZ3 LYS 108 3HZ LYS 108 2.766 6.953 19.562 882 H ASN 109 H ASN 109 0.757 -0.565 20.788 883 HA ASN 109 HA ASN 109 0.121 -2.171 22.244 884 HB2 ASN 109 2HB ASN 109 -0.442 0.190 24.052 885 HB3 ASN 109 1HB ASN 109 -0.612 -1.485 24.566 886 HD21 ASN 109 1HD2 ASN 109 1.208 -2.728 24.856 887 HD22 ASN 109 2HD2 ASN 109 2.795 -2.049 24.971 Start of MODEL 4 1 H1 SER 1 1HT SER 1 12.485 6.501 18.438 2 H2 SER 1 2HT SER 1 11.833 7.528 19.616 3 H3 SER 1 3HT SER 1 11.195 7.523 18.046 4 HA SER 1 HA SER 1 11.128 5.272 19.946 5 HB2 SER 1 2HB SER 1 8.656 5.722 19.920 6 HB3 SER 1 1HB SER 1 9.608 6.999 20.673 7 HG SER 1 HG SER 1 8.285 8.065 19.330 8 H GLU 2 H GLU 2 9.939 3.463 19.195 9 HA GLU 2 HA GLU 2 10.569 2.794 16.531 10 HB2 GLU 2 2HB GLU 2 8.725 1.365 18.437 11 HB3 GLU 2 1HB GLU 2 9.484 0.680 17.006 12 HG2 GLU 2 2HG GLU 2 10.920 1.688 19.451 13 HG3 GLU 2 1HG GLU 2 10.648 0.000 19.027 14 H PHE 3 H PHE 3 7.713 4.059 18.054 15 HA PHE 3 HA PHE 3 5.776 3.481 16.153 16 HB2 PHE 3 2HB PHE 3 5.044 4.505 18.165 17 HB3 PHE 3 1HB PHE 3 6.143 5.865 17.966 18 HD1 PHE 3 1HD PHE 3 3.327 4.238 16.115 19 HD2 PHE 3 2HD PHE 3 5.224 7.860 17.302 20 HE1 PHE 3 1HE PHE 3 1.546 5.529 15.018 21 HE2 PHE 3 2HE PHE 3 3.441 9.155 16.209 22 HZ PHE 3 HZ PHE 3 1.599 7.989 15.064 23 H GLU 4 H GLU 4 8.190 6.056 16.198 24 HA GLU 4 HA GLU 4 7.304 7.519 13.984 25 HB2 GLU 4 2HB GLU 4 10.151 7.083 14.887 26 HB3 GLU 4 1HB GLU 4 9.580 8.380 13.849 27 HG2 GLU 4 2HG GLU 4 8.283 9.304 15.658 28 HG3 GLU 4 1HG GLU 4 8.736 7.955 16.701 29 H LYS 5 H LYS 5 9.510 4.767 14.216 30 HA LYS 5 HA LYS 5 10.301 4.764 11.513 31 HB2 LYS 5 2HB LYS 5 10.227 2.458 13.464 32 HB3 LYS 5 1HB LYS 5 11.100 2.480 11.938 33 HG2 LYS 5 2HG LYS 5 12.456 4.367 12.793 34 HG3 LYS 5 1HG LYS 5 11.630 4.211 14.345 35 HD2 LYS 5 2HD LYS 5 12.440 1.897 14.522 36 HD3 LYS 5 1HD LYS 5 13.290 2.086 12.988 37 HE2 LYS 5 2HE LYS 5 14.854 2.389 14.794 38 HE3 LYS 5 1HE LYS 5 14.597 3.935 13.989 39 HZ1 LYS 5 1HZ LYS 5 13.092 4.576 15.762 40 HZ2 LYS 5 2HZ LYS 5 14.593 4.153 16.398 41 HZ3 LYS 5 3HZ LYS 5 13.297 3.074 16.523 42 H LEU 6 H LEU 6 7.709 3.030 13.208 43 HA LEU 6 HA LEU 6 6.888 1.601 10.879 44 HB2 LEU 6 2HB LEU 6 5.650 2.085 13.565 45 HB3 LEU 6 1HB LEU 6 4.688 1.384 12.284 46 HG LEU 6 HG LEU 6 5.526 -0.364 13.720 47 HD11 LEU 6 1HD1 LEU 6 7.012 -0.394 11.101 48 HD12 LEU 6 2HD1 LEU 6 5.329 -0.860 11.338 49 HD13 LEU 6 3HD1 LEU 6 6.617 -1.791 12.100 50 HD21 LEU 6 1HD2 LEU 6 7.923 -0.819 13.956 51 HD22 LEU 6 2HD2 LEU 6 7.483 0.750 14.632 52 HD23 LEU 6 3HD2 LEU 6 8.285 0.659 13.064 53 H ARG 7 H ARG 7 5.817 4.571 12.439 54 HA ARG 7 HA ARG 7 3.595 5.048 10.785 55 HB2 ARG 7 2HB ARG 7 4.160 6.157 13.012 56 HB3 ARG 7 1HB ARG 7 5.285 7.170 12.124 57 HG2 ARG 7 2HG ARG 7 2.367 7.036 11.411 58 HG3 ARG 7 1HG ARG 7 2.982 8.130 12.649 59 HD2 ARG 7 2HD ARG 7 4.440 9.188 11.021 60 HD3 ARG 7 1HD ARG 7 3.918 8.048 9.782 61 HE ARG 7 HE ARG 7 1.659 9.345 10.807 62 HH11 ARG 7 1HH1 ARG 7 4.527 10.104 8.920 63 HH12 ARG 7 2HH1 ARG 7 3.755 11.375 8.037 64 HH21 ARG 7 1HH2 ARG 7 0.641 11.027 9.634 65 HH22 ARG 7 2HH2 ARG 7 1.541 11.903 8.447 66 H GLN 8 H GLN 8 6.983 6.128 10.548 67 HA GLN 8 HA GLN 8 6.512 7.632 8.194 68 HB2 GLN 8 2HB GLN 8 9.058 6.666 9.466 69 HB3 GLN 8 1HB GLN 8 9.033 7.609 7.981 70 HG2 GLN 8 2HG GLN 8 8.035 8.453 10.690 71 HG3 GLN 8 1HG GLN 8 9.425 9.091 9.811 72 HE21 GLN 8 1HE2 GLN 8 9.073 10.458 8.049 73 HE22 GLN 8 2HE2 GLN 8 7.560 11.244 7.780 74 H THR 9 H THR 9 7.517 4.293 8.732 75 HA THR 9 HA THR 9 8.173 3.716 6.052 76 HB THR 9 HB THR 9 7.002 1.852 8.145 77 HG1 THR 9 1HG THR 9 8.963 2.614 8.863 78 HG21 THR 9 1HG2 THR 9 8.505 1.217 5.594 79 HG22 THR 9 2HG2 THR 9 6.781 0.953 5.860 80 HG23 THR 9 3HG2 THR 9 7.965 0.044 6.797 81 H GLY 10 H GLY 10 5.103 3.608 7.827 82 HA2 GLY 10 2HA GLY 10 3.508 2.740 5.647 83 HA3 GLY 10 1HA GLY 10 2.928 3.593 7.076 84 H ASP 11 H ASP 11 4.466 5.896 6.855 85 HA ASP 11 HA ASP 11 2.944 7.533 5.166 86 HB2 ASP 11 2HB ASP 11 4.098 8.413 7.115 87 HB3 ASP 11 1HB ASP 11 5.657 7.993 6.416 88 H GLU 12 H GLU 12 6.109 6.036 4.721 89 HA GLU 12 HA GLU 12 6.800 7.256 2.292 90 HB2 GLU 12 2HB GLU 12 8.425 6.036 3.635 91 HB3 GLU 12 1HB GLU 12 7.543 4.538 3.392 92 HG2 GLU 12 2HG GLU 12 8.141 4.457 1.100 93 HG3 GLU 12 1HG GLU 12 8.766 6.106 1.141 94 H LEU 13 H LEU 13 4.867 4.406 3.027 95 HA LEU 13 HA LEU 13 4.489 3.541 0.365 96 HB2 LEU 13 2HB LEU 13 2.653 3.229 2.746 97 HB3 LEU 13 1HB LEU 13 2.519 2.343 1.242 98 HG LEU 13 HG LEU 13 4.788 2.137 3.221 99 HD11 LEU 13 1HD1 LEU 13 3.932 -0.120 3.593 100 HD12 LEU 13 2HD1 LEU 13 2.589 0.209 2.497 101 HD13 LEU 13 3HD1 LEU 13 2.733 1.104 4.010 102 HD21 LEU 13 1HD2 LEU 13 4.294 0.660 0.638 103 HD22 LEU 13 2HD2 LEU 13 5.555 0.281 1.810 104 HD23 LEU 13 3HD2 LEU 13 5.588 1.819 0.949 105 H VAL 14 H VAL 14 2.782 5.810 2.445 106 HA VAL 14 HA VAL 14 0.567 6.354 0.825 107 HB VAL 14 HB VAL 14 2.012 8.329 2.613 108 HG11 VAL 14 1HG1 VAL 14 -0.178 9.420 2.801 109 HG12 VAL 14 2HG1 VAL 14 -0.848 8.262 1.652 110 HG13 VAL 14 3HG1 VAL 14 0.401 9.395 1.135 111 HG21 VAL 14 1HG2 VAL 14 -0.169 6.365 3.268 112 HG22 VAL 14 2HG2 VAL 14 0.403 7.635 4.349 113 HG23 VAL 14 3HG2 VAL 14 1.487 6.329 3.867 114 H GLN 15 H GLN 15 3.801 7.759 0.887 115 HA GLN 15 HA GLN 15 3.372 9.797 -0.996 116 HB2 GLN 15 2HB GLN 15 5.934 8.273 -0.488 117 HB3 GLN 15 1HB GLN 15 5.796 9.850 -1.250 118 HG2 GLN 15 2HG GLN 15 5.161 9.175 1.612 119 HG3 GLN 15 1HG GLN 15 6.552 10.082 1.024 120 HE21 GLN 15 1HE2 GLN 15 4.511 10.865 2.913 121 HE22 GLN 15 2HE2 GLN 15 3.772 12.291 2.270 122 H ALA 16 H ALA 16 4.443 6.455 -1.348 123 HA ALA 16 HA ALA 16 4.917 6.539 -4.118 124 HB1 ALA 16 1HB ALA 16 5.787 4.784 -2.626 125 HB2 ALA 16 2HB ALA 16 4.940 4.126 -4.025 126 HB3 ALA 16 3HB ALA 16 4.151 4.149 -2.447 127 H PHE 17 H PHE 17 2.031 5.604 -2.256 128 HA PHE 17 HA PHE 17 0.523 4.850 -4.536 129 HB2 PHE 17 2HB PHE 17 -0.301 5.556 -1.726 130 HB3 PHE 17 1HB PHE 17 -1.468 5.106 -2.965 131 HD1 PHE 17 1HD PHE 17 0.302 3.874 -0.292 132 HD2 PHE 17 2HD PHE 17 -0.655 2.892 -4.316 133 HE1 PHE 17 1HE PHE 17 0.698 1.495 0.197 134 HE2 PHE 17 2HE PHE 17 -0.265 0.515 -3.833 135 HZ PHE 17 HZ PHE 17 0.413 -0.187 -1.576 136 H GLN 18 H GLN 18 0.762 7.902 -2.754 137 HA GLN 18 HA GLN 18 -1.254 9.258 -4.187 138 HB2 GLN 18 2HB GLN 18 1.201 10.276 -2.758 139 HB3 GLN 18 1HB GLN 18 -0.034 11.323 -3.435 140 HG2 GLN 18 2HG GLN 18 -0.497 9.251 -1.305 141 HG3 GLN 18 1HG GLN 18 -0.299 10.979 -1.020 142 HE21 GLN 18 1HE2 GLN 18 -2.556 9.236 -0.428 143 HE22 GLN 18 2HE2 GLN 18 -3.920 9.903 -1.268 144 H ARG 19 H ARG 19 2.214 8.908 -4.694 145 HA ARG 19 HA ARG 19 2.403 10.536 -6.996 146 HB2 ARG 19 2HB ARG 19 4.337 9.821 -5.612 147 HB3 ARG 19 1HB ARG 19 4.112 8.175 -6.180 148 HG2 ARG 19 2HG ARG 19 5.929 9.249 -7.362 149 HG3 ARG 19 1HG ARG 19 4.598 8.900 -8.467 150 HD2 ARG 19 2HD ARG 19 5.589 11.139 -8.809 151 HD3 ARG 19 1HD ARG 19 3.876 11.199 -8.396 152 HE ARG 19 HE ARG 19 5.358 11.426 -6.037 153 HH11 ARG 19 1HH1 ARG 19 4.775 13.265 -8.965 154 HH12 ARG 19 2HH1 ARG 19 4.999 14.797 -8.202 155 HH21 ARG 19 1HH2 ARG 19 5.642 13.448 -5.021 156 HH22 ARG 19 2HH2 ARG 19 5.478 14.906 -5.940 157 H LEU 20 H LEU 20 1.680 7.148 -6.458 158 HA LEU 20 HA LEU 20 1.791 6.211 -9.091 159 HB2 LEU 20 2HB LEU 20 1.617 4.799 -7.056 160 HB3 LEU 20 1HB LEU 20 -0.047 5.311 -6.870 161 HG LEU 20 HG LEU 20 -0.482 4.289 -9.150 162 HD11 LEU 20 1HD1 LEU 20 1.824 4.181 -9.913 163 HD12 LEU 20 2HD1 LEU 20 1.087 2.580 -9.900 164 HD13 LEU 20 3HD1 LEU 20 2.209 3.044 -8.621 165 HD21 LEU 20 1HD2 LEU 20 -1.204 3.230 -7.085 166 HD22 LEU 20 2HD2 LEU 20 0.386 2.495 -6.886 167 HD23 LEU 20 3HD2 LEU 20 -0.644 2.017 -8.236 168 H ARG 21 H ARG 21 -0.864 7.659 -7.233 169 HA ARG 21 HA ARG 21 -2.831 7.357 -9.222 170 HB2 ARG 21 2HB ARG 21 -3.300 7.912 -6.830 171 HB3 ARG 21 1HB ARG 21 -2.708 9.538 -7.134 172 HG2 ARG 21 2HG ARG 21 -4.462 9.956 -8.714 173 HG3 ARG 21 1HG ARG 21 -5.003 8.284 -8.616 174 HD2 ARG 21 2HD ARG 21 -5.596 8.631 -6.254 175 HD3 ARG 21 1HD ARG 21 -5.084 10.317 -6.387 176 HE ARG 21 HE ARG 21 -6.859 10.171 -8.359 177 HH11 ARG 21 1HH1 ARG 21 -7.130 9.087 -5.010 178 HH12 ARG 21 2HH1 ARG 21 -8.849 9.263 -4.994 179 HH21 ARG 21 1HH2 ARG 21 -9.101 10.375 -8.308 180 HH22 ARG 21 2HH2 ARG 21 -9.990 9.976 -6.883 181 H GLU 22 H GLU 22 -0.514 9.924 -8.556 182 HA GLU 22 HA GLU 22 -1.435 11.747 -10.485 183 HB2 GLU 22 2HB GLU 22 1.312 11.330 -9.312 184 HB3 GLU 22 1HB GLU 22 0.943 12.632 -10.434 185 HG2 GLU 22 2HG GLU 22 -0.798 13.417 -8.840 186 HG3 GLU 22 1HG GLU 22 -0.232 12.193 -7.705 187 H ILE 23 H ILE 23 0.988 9.175 -10.695 188 HA ILE 23 HA ILE 23 1.721 9.603 -13.386 189 HB ILE 23 HB ILE 23 1.761 7.025 -11.792 190 HG12 ILE 23 2HG1 ILE 23 3.948 9.058 -12.281 191 HG13 ILE 23 1HG1 ILE 23 3.045 8.888 -10.780 192 HG21 ILE 23 1HG2 ILE 23 3.259 7.763 -14.303 193 HG22 ILE 23 2HG2 ILE 23 1.909 6.631 -14.204 194 HG23 ILE 23 3HG2 ILE 23 3.432 6.260 -13.394 195 HD11 ILE 23 1HD1 ILE 23 4.846 6.813 -12.005 196 HD12 ILE 23 2HD1 ILE 23 3.943 6.641 -10.499 197 HD13 ILE 23 3HD1 ILE 23 5.226 7.845 -10.626 198 H PHE 24 H PHE 24 -0.721 7.537 -11.891 199 HA PHE 24 HA PHE 24 -1.670 6.266 -14.193 200 HB2 PHE 24 2HB PHE 24 -2.319 5.382 -12.090 201 HB3 PHE 24 1HB PHE 24 -2.939 6.932 -11.540 202 HD1 PHE 24 1HD PHE 24 -3.542 4.334 -14.147 203 HD2 PHE 24 2HD PHE 24 -5.203 7.326 -11.616 204 HE1 PHE 24 1HE PHE 24 -5.803 3.680 -14.859 205 HE2 PHE 24 2HE PHE 24 -7.464 6.677 -12.321 206 HZ PHE 24 HZ PHE 24 -7.773 4.854 -13.940 207 H ASP 25 H ASP 25 -2.566 9.335 -12.695 208 HA ASP 25 HA ASP 25 -4.766 9.882 -14.388 209 HB2 ASP 25 2HB ASP 25 -4.336 10.973 -12.174 210 HB3 ASP 25 1HB ASP 25 -3.049 11.900 -12.936 211 H LYS 26 H LYS 26 -1.331 10.399 -14.712 212 HA LYS 26 HA LYS 26 -1.551 12.235 -16.917 213 HB2 LYS 26 2HB LYS 26 0.803 10.617 -15.928 214 HB3 LYS 26 1HB LYS 26 0.889 11.856 -17.167 215 HG2 LYS 26 2HG LYS 26 0.212 13.541 -15.547 216 HG3 LYS 26 1HG LYS 26 0.086 12.296 -14.301 217 HD2 LYS 26 2HD LYS 26 2.477 11.783 -14.609 218 HD3 LYS 26 1HD LYS 26 2.586 13.082 -15.796 219 HE2 LYS 26 2HE LYS 26 1.920 14.694 -14.075 220 HE3 LYS 26 1HE LYS 26 1.832 13.389 -12.892 221 HZ1 LYS 26 1HZ LYS 26 4.194 12.988 -13.214 222 HZ2 LYS 26 2HZ LYS 26 3.921 14.585 -12.735 223 HZ3 LYS 26 3HZ LYS 26 4.277 14.237 -14.349 224 H GLY 27 H GLY 27 -1.754 8.857 -16.553 225 HA2 GLY 27 2HA GLY 27 -2.244 7.262 -18.154 226 HA3 GLY 27 1HA GLY 27 -2.089 8.504 -19.388 227 H ASP 28 H ASP 28 0.418 7.954 -17.065 228 HA ASP 28 HA ASP 28 2.214 7.174 -19.226 229 HB2 ASP 28 2HB ASP 28 2.773 9.024 -17.571 230 HB3 ASP 28 1HB ASP 28 2.928 7.769 -16.349 231 H ASP 29 H ASP 29 1.714 5.039 -19.579 232 HA ASP 29 HA ASP 29 1.362 3.144 -17.474 233 HB2 ASP 29 2HB ASP 29 1.814 2.780 -20.439 234 HB3 ASP 29 1HB ASP 29 1.546 1.439 -19.333 235 H ASP 30 H ASP 30 4.106 4.321 -19.213 236 HA ASP 30 HA ASP 30 5.851 2.141 -18.787 237 HB2 ASP 30 2HB ASP 30 6.428 3.770 -20.449 238 HB3 ASP 30 1HB ASP 30 6.393 5.074 -19.266 239 H SER 31 H SER 31 5.460 5.196 -17.028 240 HA SER 31 HA SER 31 7.267 4.462 -14.951 241 HB2 SER 31 2HB SER 31 5.090 6.554 -14.842 242 HB3 SER 31 1HB SER 31 6.568 6.497 -13.881 243 HG SER 31 HG SER 31 6.299 6.953 -16.672 244 H LEU 32 H LEU 32 3.826 4.147 -15.480 245 HA LEU 32 HA LEU 32 2.980 3.703 -12.848 246 HB2 LEU 32 2HB LEU 32 1.539 4.172 -14.833 247 HB3 LEU 32 1HB LEU 32 1.818 2.529 -15.369 248 HG LEU 32 HG LEU 32 0.738 1.733 -13.252 249 HD11 LEU 32 1HD1 LEU 32 1.062 3.734 -11.909 250 HD12 LEU 32 2HD1 LEU 32 -0.648 3.322 -12.018 251 HD13 LEU 32 3HD1 LEU 32 0.005 4.644 -12.986 252 HD21 LEU 32 1HD2 LEU 32 -0.486 1.768 -15.337 253 HD22 LEU 32 2HD2 LEU 32 -0.886 3.470 -15.104 254 HD23 LEU 32 3HD2 LEU 32 -1.542 2.253 -14.012 255 H GLU 33 H GLU 33 3.945 1.382 -15.370 256 HA GLU 33 HA GLU 33 3.493 -0.937 -13.843 257 HB2 GLU 33 2HB GLU 33 5.327 -0.431 -16.182 258 HB3 GLU 33 1HB GLU 33 5.074 -2.022 -15.480 259 HG2 GLU 33 2HG GLU 33 2.916 -0.295 -16.672 260 HG3 GLU 33 1HG GLU 33 3.723 -1.631 -17.492 261 H GLN 34 H GLN 34 6.404 1.013 -14.310 262 HA GLN 34 HA GLN 34 8.132 -0.682 -12.865 263 HB2 GLN 34 2HB GLN 34 8.353 2.276 -13.422 264 HB3 GLN 34 1HB GLN 34 9.652 1.269 -12.793 265 HG2 GLN 34 2HG GLN 34 9.599 -0.078 -14.825 266 HG3 GLN 34 1HG GLN 34 8.292 0.922 -15.455 267 HE21 GLN 34 1HE2 GLN 34 9.451 1.565 -17.224 268 HE22 GLN 34 2HE2 GLN 34 10.791 2.650 -17.137 269 H VAL 35 H VAL 35 6.223 2.137 -11.875 270 HA VAL 35 HA VAL 35 7.209 2.188 -9.223 271 HB VAL 35 HB VAL 35 4.609 3.284 -10.340 272 HG11 VAL 35 1HG1 VAL 35 4.493 4.648 -8.306 273 HG12 VAL 35 2HG1 VAL 35 5.912 3.819 -7.666 274 HG13 VAL 35 3HG1 VAL 35 4.412 2.928 -7.925 275 HG21 VAL 35 1HG2 VAL 35 6.600 4.293 -11.301 276 HG22 VAL 35 2HG2 VAL 35 7.248 4.596 -9.688 277 HG23 VAL 35 3HG2 VAL 35 5.794 5.436 -10.227 278 H LEU 36 H LEU 36 4.527 0.457 -10.742 279 HA LEU 36 HA LEU 36 3.318 -0.522 -8.399 280 HB2 LEU 36 2HB LEU 36 3.530 -1.787 -11.134 281 HB3 LEU 36 1HB LEU 36 2.509 -2.399 -9.850 282 HG LEU 36 HG LEU 36 2.222 0.325 -11.124 283 HD11 LEU 36 1HD1 LEU 36 0.228 -0.603 -12.182 284 HD12 LEU 36 2HD1 LEU 36 0.619 -2.190 -11.523 285 HD13 LEU 36 3HD1 LEU 36 1.691 -1.438 -12.703 286 HD21 LEU 36 1HD2 LEU 36 1.416 0.284 -8.834 287 HD22 LEU 36 2HD2 LEU 36 0.470 -1.166 -9.172 288 HD23 LEU 36 3HD2 LEU 36 0.061 0.358 -9.961 289 H GLU 37 H GLU 37 6.072 -1.664 -10.259 290 HA GLU 37 HA GLU 37 6.516 -4.036 -8.767 291 HB2 GLU 37 2HB GLU 37 7.905 -2.510 -10.844 292 HB3 GLU 37 1HB GLU 37 9.003 -3.274 -9.706 293 HG2 GLU 37 2HG GLU 37 8.569 -4.658 -11.681 294 HG3 GLU 37 1HG GLU 37 8.074 -5.440 -10.185 295 H GLU 38 H GLU 38 7.628 -0.711 -8.450 296 HA GLU 38 HA GLU 38 9.458 -1.206 -6.344 297 HB2 GLU 38 2HB GLU 38 8.108 1.325 -7.262 298 HB3 GLU 38 1HB GLU 38 9.312 1.287 -5.982 299 HG2 GLU 38 2HG GLU 38 9.693 0.533 -8.864 300 HG3 GLU 38 1HG GLU 38 10.376 1.924 -8.018 301 H ILE 39 H ILE 39 6.100 -0.097 -6.370 302 HA ILE 39 HA ILE 39 5.863 0.335 -3.610 303 HB ILE 39 HB ILE 39 3.734 -0.521 -5.587 304 HG12 ILE 39 2HG1 ILE 39 4.443 2.195 -4.462 305 HG13 ILE 39 1HG1 ILE 39 4.816 1.637 -6.089 306 HG21 ILE 39 1HG2 ILE 39 2.108 0.300 -3.936 307 HG22 ILE 39 2HG2 ILE 39 3.418 0.580 -2.791 308 HG23 ILE 39 3HG2 ILE 39 3.039 -1.061 -3.313 309 HD11 ILE 39 1HD1 ILE 39 2.062 2.038 -4.944 310 HD12 ILE 39 2HD1 ILE 39 2.429 1.482 -6.577 311 HD13 ILE 39 3HD1 ILE 39 2.885 3.111 -6.074 312 H GLU 40 H GLU 40 5.519 -2.571 -5.545 313 HA GLU 40 HA GLU 40 4.436 -4.239 -3.547 314 HB2 GLU 40 2HB GLU 40 4.649 -4.618 -6.083 315 HB3 GLU 40 1HB GLU 40 6.281 -5.164 -5.743 316 HG2 GLU 40 2HG GLU 40 3.919 -6.393 -4.371 317 HG3 GLU 40 1HG GLU 40 4.409 -6.904 -5.982 318 H GLU 41 H GLU 41 7.729 -3.414 -4.447 319 HA GLU 41 HA GLU 41 9.065 -5.141 -2.655 320 HB2 GLU 41 2HB GLU 41 10.123 -4.026 -4.607 321 HB3 GLU 41 1HB GLU 41 9.960 -2.481 -3.789 322 HG2 GLU 41 2HG GLU 41 12.195 -3.189 -3.526 323 HG3 GLU 41 1HG GLU 41 11.399 -3.394 -1.968 324 H LEU 42 H LEU 42 8.015 -1.766 -2.450 325 HA LEU 42 HA LEU 42 9.014 -1.180 0.108 326 HB2 LEU 42 2HB LEU 42 6.598 -0.042 -1.298 327 HB3 LEU 42 1HB LEU 42 7.349 0.647 0.127 328 HG LEU 42 HG LEU 42 8.652 0.372 -2.576 329 HD11 LEU 42 1HD1 LEU 42 8.458 2.811 -2.671 330 HD12 LEU 42 2HD1 LEU 42 7.574 2.798 -1.144 331 HD13 LEU 42 3HD1 LEU 42 6.875 2.037 -2.575 332 HD21 LEU 42 1HD2 LEU 42 10.282 0.237 -0.776 333 HD22 LEU 42 2HD2 LEU 42 9.615 1.691 -0.037 334 HD23 LEU 42 3HD2 LEU 42 10.416 1.788 -1.605 335 H ILE 43 H ILE 43 5.952 -2.562 -0.937 336 HA ILE 43 HA ILE 43 4.642 -2.601 1.544 337 HB ILE 43 HB ILE 43 4.412 -4.557 -0.761 338 HG12 ILE 43 2HG1 ILE 43 2.604 -2.256 -0.000 339 HG13 ILE 43 1HG1 ILE 43 3.856 -2.157 -1.234 340 HG21 ILE 43 1HG2 ILE 43 2.566 -4.156 1.592 341 HG22 ILE 43 2HG2 ILE 43 3.589 -5.563 1.300 342 HG23 ILE 43 3HG2 ILE 43 2.255 -5.200 0.205 343 HD11 ILE 43 1HD1 ILE 43 1.491 -4.020 -1.290 344 HD12 ILE 43 2HD1 ILE 43 2.719 -3.857 -2.545 345 HD13 ILE 43 3HD1 ILE 43 1.636 -2.512 -2.190 346 H GLN 44 H GLN 44 6.807 -4.984 0.026 347 HA GLN 44 HA GLN 44 6.703 -6.911 2.062 348 HB2 GLN 44 2HB GLN 44 7.633 -7.317 -0.194 349 HB3 GLN 44 1HB GLN 44 8.989 -6.266 0.194 350 HG2 GLN 44 2HG GLN 44 9.457 -7.821 2.124 351 HG3 GLN 44 1HG GLN 44 8.304 -8.925 1.377 352 HE21 GLN 44 1HE2 GLN 44 8.833 -9.906 -0.570 353 HE22 GLN 44 2HE2 GLN 44 10.453 -9.940 -1.167 354 H LYS 45 H LYS 45 8.686 -4.060 1.575 355 HA LYS 45 HA LYS 45 10.527 -4.407 3.661 356 HB2 LYS 45 2HB LYS 45 10.893 -2.721 1.991 357 HB3 LYS 45 1HB LYS 45 9.371 -1.934 2.370 358 HG2 LYS 45 2HG LYS 45 10.307 -1.384 4.619 359 HG3 LYS 45 1HG LYS 45 11.861 -2.007 4.055 360 HD2 LYS 45 2HD LYS 45 11.897 -0.368 2.266 361 HD3 LYS 45 1HD LYS 45 10.304 0.218 2.742 362 HE2 LYS 45 2HE LYS 45 11.199 0.920 4.897 363 HE3 LYS 45 1HE LYS 45 12.791 0.318 4.442 364 HZ1 LYS 45 1HZ LYS 45 12.884 1.930 2.679 365 HZ2 LYS 45 2HZ LYS 45 12.567 2.723 4.139 366 HZ3 LYS 45 3HZ LYS 45 11.319 2.482 3.022 367 H HIS 46 H HIS 46 7.369 -2.821 3.574 368 HA HIS 46 HA HIS 46 7.335 -1.992 6.271 369 HB2 HIS 46 2HB HIS 46 5.823 -1.108 4.485 370 HB3 HIS 46 1HB HIS 46 4.970 -2.646 4.489 371 HD1 HIS 46 1HD HIS 46 4.842 0.652 5.979 372 HD2 HIS 46 2HD HIS 46 3.755 -3.184 7.136 373 HE1 HIS 46 1HE HIS 46 3.213 0.924 7.889 374 H ARG 47 H ARG 47 6.093 -4.884 4.644 375 HA ARG 47 HA ARG 47 4.868 -6.044 6.887 376 HB2 ARG 47 2HB ARG 47 6.016 -7.352 4.424 377 HB3 ARG 47 1HB ARG 47 5.026 -8.178 5.619 378 HG2 ARG 47 2HG ARG 47 4.173 -5.861 3.896 379 HG3 ARG 47 1HG ARG 47 3.703 -7.549 3.692 380 HD2 ARG 47 2HD ARG 47 2.647 -7.485 5.926 381 HD3 ARG 47 1HD ARG 47 3.053 -5.774 6.041 382 HE ARG 47 HE ARG 47 1.588 -6.364 3.677 383 HH11 ARG 47 1HH1 ARG 47 1.235 -5.782 7.118 384 HH12 ARG 47 2HH1 ARG 47 -0.408 -5.255 6.987 385 HH21 ARG 47 1HH2 ARG 47 -0.596 -5.673 3.520 386 HH22 ARG 47 2HH2 ARG 47 -1.455 -5.230 4.959 387 H GLN 48 H GLN 48 8.156 -6.385 5.616 388 HA GLN 48 HA GLN 48 8.985 -8.400 7.396 389 HB2 GLN 48 2HB GLN 48 10.201 -7.726 5.332 390 HB3 GLN 48 1HB GLN 48 10.677 -6.236 6.133 391 HG2 GLN 48 2HG GLN 48 11.902 -7.521 7.802 392 HG3 GLN 48 1HG GLN 48 11.419 -9.019 7.008 393 HE21 GLN 48 1HE2 GLN 48 14.079 -7.979 7.495 394 HE22 GLN 48 2HE2 GLN 48 14.839 -7.841 5.950 395 H LEU 49 H LEU 49 9.133 -4.869 7.604 396 HA LEU 49 HA LEU 49 10.501 -4.776 10.076 397 HB2 LEU 49 2HB LEU 49 8.684 -2.744 8.779 398 HB3 LEU 49 1HB LEU 49 9.705 -2.428 10.168 399 HG LEU 49 HG LEU 49 10.680 -3.173 7.409 400 HD11 LEU 49 1HD1 LEU 49 11.505 -0.869 7.323 401 HD12 LEU 49 2HD1 LEU 49 10.719 -0.537 8.867 402 HD13 LEU 49 3HD1 LEU 49 9.748 -0.942 7.452 403 HD21 LEU 49 1HD2 LEU 49 12.906 -2.592 8.306 404 HD22 LEU 49 2HD2 LEU 49 12.198 -3.993 9.106 405 HD23 LEU 49 3HD2 LEU 49 12.194 -2.425 9.911 406 H PHE 50 H PHE 50 7.105 -4.940 9.213 407 HA PHE 50 HA PHE 50 6.108 -4.481 11.851 408 HB2 PHE 50 2HB PHE 50 4.757 -4.066 9.822 409 HB3 PHE 50 1HB PHE 50 4.767 -5.789 9.469 410 HD1 PHE 50 1HD PHE 50 3.570 -3.232 11.846 411 HD2 PHE 50 2HD PHE 50 3.227 -7.256 10.503 412 HE1 PHE 50 1HE PHE 50 1.528 -3.502 13.188 413 HE2 PHE 50 2HE PHE 50 1.183 -7.533 11.844 414 HZ PHE 50 HZ PHE 50 0.330 -5.655 13.189 415 H ASP 51 H ASP 51 6.801 -7.348 9.919 416 HA ASP 51 HA ASP 51 5.753 -9.295 11.656 417 HB2 ASP 51 2HB ASP 51 6.245 -9.907 9.402 418 HB3 ASP 51 1HB ASP 51 7.915 -9.381 9.549 419 H ASN 52 H ASN 52 8.853 -7.679 11.540 420 HA ASN 52 HA ASN 52 10.141 -9.344 13.461 421 HB2 ASN 52 2HB ASN 52 10.757 -6.657 12.282 422 HB3 ASN 52 1HB ASN 52 11.693 -7.261 13.643 423 HD21 ASN 52 1HD2 ASN 52 10.383 -9.420 11.243 424 HD22 ASN 52 2HD2 ASN 52 11.892 -9.825 10.510 425 H ARG 53 H ARG 53 7.864 -6.804 13.734 426 HA ARG 53 HA ARG 53 8.613 -5.970 16.380 427 HB2 ARG 53 2HB ARG 53 6.018 -5.528 14.889 428 HB3 ARG 53 1HB ARG 53 6.499 -4.715 16.370 429 HG2 ARG 53 2HG ARG 53 7.902 -4.504 13.714 430 HG3 ARG 53 1HG ARG 53 6.825 -3.296 14.416 431 HD2 ARG 53 2HD ARG 53 8.337 -2.836 16.175 432 HD3 ARG 53 1HD ARG 53 9.309 -4.261 15.814 433 HE ARG 53 HE ARG 53 9.402 -2.728 13.545 434 HH11 ARG 53 1HH1 ARG 53 10.193 -2.228 16.917 435 HH12 ARG 53 2HH1 ARG 53 11.529 -1.168 16.599 436 HH21 ARG 53 1HH2 ARG 53 11.189 -1.311 13.096 437 HH22 ARG 53 2HH2 ARG 53 12.099 -0.665 14.416 438 H GLN 54 H GLN 54 6.328 -8.233 14.993 439 HA GLN 54 HA GLN 54 6.088 -9.487 17.595 440 HB2 GLN 54 2HB GLN 54 4.174 -7.914 17.457 441 HB3 GLN 54 1HB GLN 54 3.646 -8.718 15.986 442 HG2 GLN 54 2HG GLN 54 3.176 -10.737 17.172 443 HG3 GLN 54 1HG GLN 54 3.922 -10.106 18.637 444 HE21 GLN 54 1HE2 GLN 54 1.209 -11.111 18.190 445 HE22 GLN 54 2HE2 GLN 54 0.156 -9.821 18.651 446 H GLU 55 H GLU 55 7.349 -11.092 16.707 447 HA GLU 55 HA GLU 55 6.829 -12.390 14.265 448 HB2 GLU 55 2HB GLU 55 8.236 -13.613 16.637 449 HB3 GLU 55 1HB GLU 55 8.453 -14.013 14.940 450 HG2 GLU 55 2HG GLU 55 10.296 -12.733 15.216 451 HG3 GLU 55 1HG GLU 55 9.154 -11.446 14.835 452 H ALA 56 H ALA 56 5.287 -12.618 17.288 453 HA ALA 56 HA ALA 56 4.350 -15.307 17.059 454 HB1 ALA 56 1HB ALA 56 4.524 -14.180 19.224 455 HB2 ALA 56 2HB ALA 56 2.881 -14.747 18.920 456 HB3 ALA 56 3HB ALA 56 3.274 -13.039 18.729 457 H ALA 57 H ALA 57 3.408 -12.311 15.684 458 HA ALA 57 HA ALA 57 0.738 -13.327 14.988 459 HB1 ALA 57 1HB ALA 57 0.228 -11.022 14.341 460 HB2 ALA 57 2HB ALA 57 1.885 -10.547 14.713 461 HB3 ALA 57 3HB ALA 57 0.816 -11.099 16.002 462 H ASP 58 H ASP 58 3.169 -14.329 13.814 463 HA ASP 58 HA ASP 58 3.818 -13.158 11.359 464 HB2 ASP 58 2HB ASP 58 4.927 -15.274 10.826 465 HB3 ASP 58 1HB ASP 58 5.273 -14.775 12.476 466 H THR 59 H THR 59 1.342 -15.557 12.143 467 HA THR 59 HA THR 59 0.790 -16.135 9.392 468 HB THR 59 HB THR 59 -0.896 -16.777 11.825 469 HG1 THR 59 1HG THR 59 1.275 -18.100 10.552 470 HG21 THR 59 1HG2 THR 59 -0.851 -17.982 9.050 471 HG22 THR 59 2HG2 THR 59 -2.128 -16.958 9.707 472 HG23 THR 59 3HG2 THR 59 -1.831 -18.552 10.401 473 H GLU 60 H GLU 60 -0.741 -14.125 11.890 474 HA GLU 60 HA GLU 60 -2.962 -13.393 10.310 475 HB2 GLU 60 2HB GLU 60 -2.975 -13.105 12.738 476 HB3 GLU 60 1HB GLU 60 -1.696 -11.902 12.615 477 HG2 GLU 60 2HG GLU 60 -3.140 -10.389 11.453 478 HG3 GLU 60 1HG GLU 60 -4.403 -11.609 11.335 479 H ALA 61 H ALA 61 0.180 -11.855 10.860 480 HA ALA 61 HA ALA 61 -0.304 -9.567 9.291 481 HB1 ALA 61 1HB ALA 61 1.558 -9.740 10.883 482 HB2 ALA 61 2HB ALA 61 2.117 -9.278 9.276 483 HB3 ALA 61 3HB ALA 61 2.331 -10.935 9.841 484 H ALA 62 H ALA 62 0.876 -12.781 8.492 485 HA ALA 62 HA ALA 62 1.618 -12.195 5.824 486 HB1 ALA 62 1HB ALA 62 1.745 -14.589 5.512 487 HB2 ALA 62 2HB ALA 62 0.834 -14.859 6.996 488 HB3 ALA 62 3HB ALA 62 2.447 -14.153 7.069 489 H LYS 63 H LYS 63 -1.367 -13.485 7.273 490 HA LYS 63 HA LYS 63 -2.643 -13.820 4.748 491 HB2 LYS 63 2HB LYS 63 -3.343 -15.128 6.705 492 HB3 LYS 63 1HB LYS 63 -3.884 -13.658 7.502 493 HG2 LYS 63 2HG LYS 63 -5.736 -14.963 6.520 494 HG3 LYS 63 1HG LYS 63 -5.611 -13.337 5.844 495 HD2 LYS 63 2HD LYS 63 -4.369 -14.284 3.914 496 HD3 LYS 63 1HD LYS 63 -4.629 -15.896 4.578 497 HE2 LYS 63 2HE LYS 63 -7.023 -15.631 4.356 498 HE3 LYS 63 1HE LYS 63 -6.816 -13.966 3.815 499 HZ1 LYS 63 1HZ LYS 63 -7.197 -15.481 1.960 500 HZ2 LYS 63 2HZ LYS 63 -5.827 -16.371 2.378 501 HZ3 LYS 63 3HZ LYS 63 -5.662 -14.772 1.850 502 H GLN 64 H GLN 64 -2.607 -11.258 7.168 503 HA GLN 64 HA GLN 64 -4.591 -9.632 5.996 504 HB2 GLN 64 2HB GLN 64 -3.338 -9.465 8.307 505 HB3 GLN 64 1HB GLN 64 -2.191 -8.489 7.407 506 HG2 GLN 64 2HG GLN 64 -5.132 -7.874 7.494 507 HG3 GLN 64 1HG GLN 64 -3.994 -7.259 8.685 508 HE21 GLN 64 1HE2 GLN 64 -5.669 -5.860 6.751 509 HE22 GLN 64 2HE2 GLN 64 -4.592 -4.890 5.807 510 H GLY 65 H GLY 65 -1.101 -9.903 5.557 511 HA2 GLY 65 2HA GLY 65 -0.826 -7.867 3.625 512 HA3 GLY 65 1HA GLY 65 0.283 -9.209 3.879 513 H ASP 66 H ASP 66 -1.612 -11.286 3.416 514 HA ASP 66 HA ASP 66 -1.409 -11.636 0.638 515 HB2 ASP 66 2HB ASP 66 -1.627 -13.584 1.972 516 HB3 ASP 66 1HB ASP 66 -3.078 -12.979 2.758 517 H GLN 67 H GLN 67 -4.103 -10.571 2.650 518 HA GLN 67 HA GLN 67 -5.969 -10.330 0.521 519 HB2 GLN 67 2HB GLN 67 -5.893 -9.088 3.274 520 HB3 GLN 67 1HB GLN 67 -7.258 -8.951 2.174 521 HG2 GLN 67 2HG GLN 67 -7.668 -11.288 2.258 522 HG3 GLN 67 1HG GLN 67 -6.156 -11.584 3.113 523 HE21 GLN 67 1HE2 GLN 67 -8.929 -12.236 3.820 524 HE22 GLN 67 2HE2 GLN 67 -9.191 -11.516 5.372 525 H TRP 68 H TRP 68 -3.633 -8.190 1.999 526 HA TRP 68 HA TRP 68 -4.430 -5.810 0.715 527 HB2 TRP 68 2HB TRP 68 -3.047 -5.698 2.673 528 HB3 TRP 68 1HB TRP 68 -1.819 -6.714 1.933 529 HD1 TRP 68 HD TRP 68 -0.063 -5.567 0.392 530 HE1 TRP 68 1HE TRP 68 0.523 -3.108 -0.102 531 HE3 TRP 68 3HE TRP 68 -4.181 -3.336 2.410 532 HZ2 TRP 68 2HZ TRP 68 -0.606 -0.569 0.303 533 HZ3 TRP 68 3HZ TRP 68 -4.354 -0.884 2.317 534 HH2 TRP 68 HH TRP 68 -2.605 0.467 1.288 535 H VAL 69 H VAL 69 -1.939 -8.237 -0.040 536 HA VAL 69 HA VAL 69 -1.016 -7.051 -2.417 537 HB VAL 69 HB VAL 69 -1.021 -9.980 -1.620 538 HG11 VAL 69 1HG1 VAL 69 0.529 -8.601 -3.814 539 HG12 VAL 69 2HG1 VAL 69 -0.780 -9.761 -4.039 540 HG13 VAL 69 3HG1 VAL 69 0.738 -10.276 -3.304 541 HG21 VAL 69 1HG2 VAL 69 1.332 -9.567 -1.039 542 HG22 VAL 69 2HG2 VAL 69 0.232 -8.571 -0.087 543 HG23 VAL 69 3HG2 VAL 69 1.121 -7.861 -1.434 544 H GLN 70 H GLN 70 -3.649 -9.332 -1.788 545 HA GLN 70 HA GLN 70 -4.276 -9.902 -4.456 546 HB2 GLN 70 2HB GLN 70 -5.122 -11.192 -2.536 547 HB3 GLN 70 1HB GLN 70 -6.099 -9.818 -2.049 548 HG2 GLN 70 2HG GLN 70 -7.411 -11.508 -3.178 549 HG3 GLN 70 1HG GLN 70 -7.407 -9.992 -4.078 550 HE21 GLN 70 1HE2 GLN 70 -6.279 -9.880 -6.035 551 HE22 GLN 70 2HE2 GLN 70 -5.803 -11.301 -6.895 552 H LEU 71 H LEU 71 -5.381 -7.337 -2.265 553 HA LEU 71 HA LEU 71 -7.263 -6.202 -4.005 554 HB2 LEU 71 2HB LEU 71 -7.326 -5.736 -1.657 555 HB3 LEU 71 1HB LEU 71 -5.688 -5.114 -1.681 556 HG LEU 71 HG LEU 71 -6.472 -3.271 -3.111 557 HD11 LEU 71 1HD1 LEU 71 -8.894 -2.790 -3.182 558 HD12 LEU 71 2HD1 LEU 71 -9.204 -4.360 -2.444 559 HD13 LEU 71 3HD1 LEU 71 -8.472 -4.268 -4.045 560 HD21 LEU 71 1HD2 LEU 71 -7.793 -3.534 -0.415 561 HD22 LEU 71 2HD2 LEU 71 -7.553 -2.019 -1.286 562 HD23 LEU 71 3HD2 LEU 71 -6.159 -2.948 -0.730 563 H PHE 72 H PHE 72 -3.837 -5.566 -3.397 564 HA PHE 72 HA PHE 72 -3.537 -3.353 -5.098 565 HB2 PHE 72 2HB PHE 72 -1.870 -4.020 -3.398 566 HB3 PHE 72 1HB PHE 72 -1.489 -5.455 -4.341 567 HD1 PHE 72 1HD PHE 72 -1.512 -1.740 -4.548 568 HD2 PHE 72 2HD PHE 72 0.217 -5.383 -5.910 569 HE1 PHE 72 1HE PHE 72 0.209 -0.467 -5.760 570 HE2 PHE 72 2HE PHE 72 1.942 -4.114 -7.123 571 HZ PHE 72 HZ PHE 72 1.938 -1.655 -7.049 572 H GLN 73 H GLN 73 -3.164 -6.828 -5.691 573 HA GLN 73 HA GLN 73 -2.334 -6.602 -8.374 574 HB2 GLN 73 2HB GLN 73 -3.700 -8.863 -6.918 575 HB3 GLN 73 1HB GLN 73 -3.093 -8.991 -8.563 576 HG2 GLN 73 2HG GLN 73 -0.835 -8.538 -7.785 577 HG3 GLN 73 1HG GLN 73 -1.429 -8.350 -6.137 578 HE21 GLN 73 1HE2 GLN 73 0.530 -10.214 -7.222 579 HE22 GLN 73 2HE2 GLN 73 -0.054 -11.794 -6.845 580 H ARG 74 H ARG 74 -5.537 -6.788 -6.898 581 HA ARG 74 HA ARG 74 -7.068 -7.151 -9.223 582 HB2 ARG 74 2HB ARG 74 -7.735 -5.622 -6.704 583 HB3 ARG 74 1HB ARG 74 -8.896 -5.962 -7.975 584 HG2 ARG 74 2HG ARG 74 -8.626 -8.354 -7.579 585 HG3 ARG 74 1HG ARG 74 -7.453 -8.006 -6.304 586 HD2 ARG 74 2HD ARG 74 -9.207 -6.683 -5.139 587 HD3 ARG 74 1HD ARG 74 -10.358 -7.207 -6.365 588 HE ARG 74 HE ARG 74 -9.417 -9.542 -5.460 589 HH11 ARG 74 1HH1 ARG 74 -10.691 -6.717 -3.814 590 HH12 ARG 74 2HH1 ARG 74 -11.257 -7.609 -2.443 591 HH21 ARG 74 1HH2 ARG 74 -10.183 -10.723 -3.630 592 HH22 ARG 74 2HH2 ARG 74 -10.977 -9.882 -2.345 593 H PHE 75 H PHE 75 -5.697 -4.273 -7.768 594 HA PHE 75 HA PHE 75 -6.970 -2.366 -9.389 595 HB2 PHE 75 2HB PHE 75 -5.842 -1.768 -7.303 596 HB3 PHE 75 1HB PHE 75 -4.293 -2.246 -7.981 597 HD1 PHE 75 1HD PHE 75 -7.131 0.072 -8.685 598 HD2 PHE 75 2HD PHE 75 -2.933 -0.609 -8.852 599 HE1 PHE 75 1HE PHE 75 -6.793 2.369 -9.496 600 HE2 PHE 75 2HE PHE 75 -2.588 1.686 -9.664 601 HZ PHE 75 HZ PHE 75 -4.520 3.179 -9.988 602 H ARG 76 H ARG 76 -3.832 -4.007 -9.709 603 HA ARG 76 HA ARG 76 -3.090 -2.702 -12.110 604 HB2 ARG 76 2HB ARG 76 -1.554 -3.980 -10.545 605 HB3 ARG 76 1HB ARG 76 -2.195 -5.457 -11.249 606 HG2 ARG 76 2HG ARG 76 -1.331 -4.852 -13.420 607 HG3 ARG 76 1HG ARG 76 -0.799 -3.286 -12.808 608 HD2 ARG 76 2HD ARG 76 0.630 -4.577 -11.157 609 HD3 ARG 76 1HD ARG 76 0.260 -6.015 -12.106 610 HE ARG 76 HE ARG 76 1.196 -4.285 -13.964 611 HH11 ARG 76 1HH1 ARG 76 2.458 -5.412 -10.896 612 HH12 ARG 76 2HH1 ARG 76 4.122 -5.212 -11.352 613 HH21 ARG 76 1HH2 ARG 76 3.407 -3.998 -14.569 614 HH22 ARG 76 2HH2 ARG 76 4.661 -4.390 -13.418 615 H GLU 77 H GLU 77 -4.750 -5.748 -11.438 616 HA GLU 77 HA GLU 77 -5.006 -6.677 -14.072 617 HB2 GLU 77 2HB GLU 77 -6.836 -7.046 -11.693 618 HB3 GLU 77 1HB GLU 77 -6.983 -7.940 -13.197 619 HG2 GLU 77 2HG GLU 77 -4.536 -7.980 -11.453 620 HG3 GLU 77 1HG GLU 77 -5.844 -9.156 -11.349 621 H ALA 78 H ALA 78 -7.051 -4.520 -12.145 622 HA ALA 78 HA ALA 78 -9.141 -4.289 -14.024 623 HB1 ALA 78 1HB ALA 78 -9.862 -2.355 -12.720 624 HB2 ALA 78 2HB ALA 78 -8.318 -2.349 -11.868 625 HB3 ALA 78 3HB ALA 78 -9.427 -3.705 -11.671 626 H ILE 79 H ILE 79 -6.143 -2.493 -13.559 627 HA ILE 79 HA ILE 79 -6.676 -0.419 -15.403 628 HB ILE 79 HB ILE 79 -3.997 -1.618 -14.636 629 HG12 ILE 79 2HG1 ILE 79 -5.408 0.842 -13.583 630 HG13 ILE 79 1HG1 ILE 79 -5.291 -0.695 -12.734 631 HG21 ILE 79 1HG2 ILE 79 -3.048 0.521 -15.422 632 HG22 ILE 79 2HG2 ILE 79 -4.645 1.001 -15.995 633 HG23 ILE 79 3HG2 ILE 79 -3.828 -0.383 -16.720 634 HD11 ILE 79 1HD1 ILE 79 -2.992 1.078 -13.503 635 HD12 ILE 79 2HD1 ILE 79 -2.868 -0.457 -12.644 636 HD13 ILE 79 3HD1 ILE 79 -3.684 0.914 -11.890 637 H ASP 80 H ASP 80 -5.212 -3.611 -15.740 638 HA ASP 80 HA ASP 80 -4.505 -3.380 -18.455 639 HB2 ASP 80 2HB ASP 80 -3.606 -5.140 -16.984 640 HB3 ASP 80 1HB ASP 80 -5.200 -5.884 -16.907 641 H LYS 81 H LYS 81 -7.491 -4.238 -16.866 642 HA LYS 81 HA LYS 81 -8.804 -5.133 -19.276 643 HB2 LYS 81 2HB LYS 81 -10.034 -4.329 -16.637 644 HB3 LYS 81 1HB LYS 81 -10.806 -5.257 -17.911 645 HG2 LYS 81 2HG LYS 81 -9.347 -7.117 -17.517 646 HG3 LYS 81 1HG LYS 81 -8.394 -6.175 -16.365 647 HD2 LYS 81 2HD LYS 81 -10.507 -5.913 -15.015 648 HD3 LYS 81 1HD LYS 81 -11.240 -7.112 -16.081 649 HE2 LYS 81 2HE LYS 81 -9.524 -8.726 -15.449 650 HE3 LYS 81 1HE LYS 81 -8.769 -7.524 -14.404 651 HZ1 LYS 81 1HZ LYS 81 -11.471 -8.712 -14.069 652 HZ2 LYS 81 2HZ LYS 81 -10.861 -7.457 -13.119 653 HZ3 LYS 81 3HZ LYS 81 -10.120 -8.977 -13.093 654 H GLY 82 H GLY 82 -8.036 -2.131 -17.928 655 HA2 GLY 82 2HA GLY 82 -8.512 -0.001 -18.647 656 HA3 GLY 82 1HA GLY 82 -9.477 -0.703 -19.939 657 H ASP 83 H ASP 83 -10.077 -1.534 -16.621 658 HA ASP 83 HA ASP 83 -12.753 -0.419 -16.854 659 HB2 ASP 83 2HB ASP 83 -12.227 -2.740 -15.919 660 HB3 ASP 83 1HB ASP 83 -11.632 -1.908 -14.486 661 H LYS 84 H LYS 84 -12.527 1.733 -16.667 662 HA LYS 84 HA LYS 84 -10.719 2.978 -14.858 663 HB2 LYS 84 2HB LYS 84 -13.020 4.307 -16.272 664 HB3 LYS 84 1HB LYS 84 -11.525 5.046 -15.715 665 HG2 LYS 84 2HG LYS 84 -10.267 3.786 -17.378 666 HG3 LYS 84 1HG LYS 84 -11.754 3.008 -17.921 667 HD2 LYS 84 2HD LYS 84 -12.626 5.363 -18.367 668 HD3 LYS 84 1HD LYS 84 -10.959 5.896 -18.160 669 HE2 LYS 84 2HE LYS 84 -11.461 5.542 -20.517 670 HE3 LYS 84 1HE LYS 84 -10.251 4.392 -19.951 671 HZ1 LYS 84 1HZ LYS 84 -13.148 3.764 -20.190 672 HZ2 LYS 84 2HZ LYS 84 -11.900 2.678 -19.855 673 HZ3 LYS 84 3HZ LYS 84 -11.999 3.402 -21.371 674 H ASP 85 H ASP 85 -14.190 2.296 -14.718 675 HA ASP 85 HA ASP 85 -14.701 4.079 -12.577 676 HB2 ASP 85 2HB ASP 85 -16.861 3.004 -12.300 677 HB3 ASP 85 1HB ASP 85 -16.527 3.245 -14.008 678 H SER 86 H SER 86 -13.714 0.699 -12.627 679 HA SER 86 HA SER 86 -13.964 0.365 -9.814 680 HB2 SER 86 2HB SER 86 -12.158 -1.128 -11.734 681 HB3 SER 86 1HB SER 86 -12.626 -1.658 -10.117 682 HG SER 86 HG SER 86 -14.279 -1.311 -12.398 683 H LEU 87 H LEU 87 -11.395 1.433 -11.963 684 HA LEU 87 HA LEU 87 -9.260 1.454 -10.148 685 HB2 LEU 87 2HB LEU 87 -9.731 3.305 -12.482 686 HB3 LEU 87 1HB LEU 87 -8.197 3.047 -11.676 687 HG LEU 87 HG LEU 87 -9.733 0.996 -13.259 688 HD11 LEU 87 1HD1 LEU 87 -7.138 2.392 -13.859 689 HD12 LEU 87 2HD1 LEU 87 -8.685 2.719 -14.637 690 HD13 LEU 87 3HD1 LEU 87 -7.909 1.150 -14.844 691 HD21 LEU 87 1HD2 LEU 87 -8.565 -0.047 -11.431 692 HD22 LEU 87 2HD2 LEU 87 -7.083 0.812 -11.854 693 HD23 LEU 87 3HD2 LEU 87 -7.749 -0.399 -12.953 694 H GLU 88 H GLU 88 -11.527 4.034 -11.017 695 HA GLU 88 HA GLU 88 -10.454 6.060 -9.433 696 HB2 GLU 88 2HB GLU 88 -12.149 6.465 -11.137 697 HB3 GLU 88 1HB GLU 88 -13.334 5.563 -10.206 698 HG2 GLU 88 2HG GLU 88 -13.704 7.941 -9.982 699 HG3 GLU 88 1HG GLU 88 -13.222 7.245 -8.438 700 H GLN 89 H GLN 89 -12.927 3.633 -8.611 701 HA GLN 89 HA GLN 89 -13.349 4.595 -5.990 702 HB2 GLN 89 2HB GLN 89 -14.987 3.182 -7.130 703 HB3 GLN 89 1HB GLN 89 -13.841 1.846 -7.138 704 HG2 GLN 89 2HG GLN 89 -13.881 1.760 -4.725 705 HG3 GLN 89 1HG GLN 89 -14.959 3.151 -4.676 706 HE21 GLN 89 1HE2 GLN 89 -15.241 0.616 -7.054 707 HE22 GLN 89 2HE2 GLN 89 -16.717 -0.044 -6.451 708 H LEU 90 H LEU 90 -11.263 2.068 -7.333 709 HA LEU 90 HA LEU 90 -10.312 1.063 -4.894 710 HB2 LEU 90 2HB LEU 90 -9.022 1.104 -7.618 711 HB3 LEU 90 1HB LEU 90 -8.363 0.238 -6.245 712 HG LEU 90 HG LEU 90 -11.036 -0.306 -7.547 713 HD11 LEU 90 1HD1 LEU 90 -9.176 -0.971 -8.957 714 HD12 LEU 90 2HD1 LEU 90 -9.994 -2.387 -8.295 715 HD13 LEU 90 3HD1 LEU 90 -8.455 -1.858 -7.614 716 HD21 LEU 90 1HD2 LEU 90 -9.607 -1.728 -5.299 717 HD22 LEU 90 2HD2 LEU 90 -11.062 -2.306 -6.108 718 HD23 LEU 90 3HD2 LEU 90 -11.110 -0.812 -5.175 719 H LEU 91 H LEU 91 -9.229 3.781 -6.857 720 HA LEU 91 HA LEU 91 -6.790 4.281 -5.571 721 HB2 LEU 91 2HB LEU 91 -8.749 6.166 -6.872 722 HB3 LEU 91 1HB LEU 91 -7.174 6.669 -6.296 723 HG LEU 91 HG LEU 91 -7.596 4.562 -8.414 724 HD11 LEU 91 1HD1 LEU 91 -6.934 7.489 -8.697 725 HD12 LEU 91 2HD1 LEU 91 -8.420 6.694 -9.217 726 HD13 LEU 91 3HD1 LEU 91 -6.889 6.301 -9.999 727 HD21 LEU 91 1HD2 LEU 91 -5.212 4.954 -8.865 728 HD22 LEU 91 2HD2 LEU 91 -5.483 4.353 -7.231 729 HD23 LEU 91 3HD2 LEU 91 -5.144 6.063 -7.496 730 H GLU 92 H GLU 92 -10.047 5.484 -4.833 731 HA GLU 92 HA GLU 92 -9.213 7.057 -2.622 732 HB2 GLU 92 2HB GLU 92 -11.945 5.946 -3.264 733 HB3 GLU 92 1HB GLU 92 -11.611 7.187 -2.065 734 HG2 GLU 92 2HG GLU 92 -10.701 8.606 -3.906 735 HG3 GLU 92 1HG GLU 92 -11.270 7.386 -5.045 736 H GLU 93 H GLU 93 -10.588 3.819 -2.917 737 HA GLU 93 HA GLU 93 -10.826 3.249 -0.183 738 HB2 GLU 93 2HB GLU 93 -10.401 1.451 -2.566 739 HB3 GLU 93 1HB GLU 93 -10.680 0.838 -0.942 740 HG2 GLU 93 2HG GLU 93 -12.557 2.595 -2.502 741 HG3 GLU 93 1HG GLU 93 -12.721 0.854 -2.265 742 H LEU 94 H LEU 94 -8.152 2.852 -2.419 743 HA LEU 94 HA LEU 94 -6.457 1.428 -0.683 744 HB2 LEU 94 2HB LEU 94 -6.234 1.560 -3.147 745 HB3 LEU 94 1HB LEU 94 -5.743 3.231 -2.990 746 HG LEU 94 HG LEU 94 -3.723 2.528 -1.786 747 HD11 LEU 94 1HD1 LEU 94 -4.571 0.493 -0.751 748 HD12 LEU 94 2HD1 LEU 94 -3.126 0.151 -1.702 749 HD13 LEU 94 3HD1 LEU 94 -4.718 -0.267 -2.336 750 HD21 LEU 94 1HD2 LEU 94 -3.663 2.798 -4.204 751 HD22 LEU 94 2HD2 LEU 94 -4.162 1.120 -4.415 752 HD23 LEU 94 3HD2 LEU 94 -2.596 1.489 -3.693 753 H GLU 95 H GLU 95 -6.710 4.902 -1.448 754 HA GLU 95 HA GLU 95 -4.572 5.761 0.153 755 HB2 GLU 95 2HB GLU 95 -7.088 7.184 -0.697 756 HB3 GLU 95 1HB GLU 95 -5.766 7.975 0.150 757 HG2 GLU 95 2HG GLU 95 -4.260 7.471 -1.676 758 HG3 GLU 95 1HG GLU 95 -5.543 6.599 -2.515 759 H GLN 96 H GLN 96 -7.995 5.368 0.912 760 HA GLN 96 HA GLN 96 -7.876 6.363 3.535 761 HB2 GLN 96 2HB GLN 96 -9.774 4.387 2.271 762 HB3 GLN 96 1HB GLN 96 -9.996 5.072 3.877 763 HG2 GLN 96 2HG GLN 96 -10.106 7.310 2.923 764 HG3 GLN 96 1HG GLN 96 -9.846 6.643 1.313 765 HE21 GLN 96 1HE2 GLN 96 -11.773 7.472 0.561 766 HE22 GLN 96 2HE2 GLN 96 -13.306 6.809 1.017 767 H ALA 97 H ALA 97 -7.229 3.175 2.219 768 HA ALA 97 HA ALA 97 -7.077 1.768 4.651 769 HB1 ALA 97 1HB ALA 97 -5.832 0.087 3.414 770 HB2 ALA 97 2HB ALA 97 -5.559 1.230 2.099 771 HB3 ALA 97 3HB ALA 97 -7.193 0.668 2.455 772 H LEU 98 H LEU 98 -4.677 3.665 2.862 773 HA LEU 98 HA LEU 98 -2.447 3.055 4.477 774 HB2 LEU 98 2HB LEU 98 -3.096 5.363 2.681 775 HB3 LEU 98 1HB LEU 98 -1.674 5.410 3.694 776 HG LEU 98 HG LEU 98 -1.203 4.728 1.365 777 HD11 LEU 98 1HD1 LEU 98 0.301 4.060 3.133 778 HD12 LEU 98 2HD1 LEU 98 0.189 2.794 1.910 779 HD13 LEU 98 3HD1 LEU 98 -0.665 2.619 3.440 780 HD21 LEU 98 1HD2 LEU 98 -3.229 3.514 0.855 781 HD22 LEU 98 2HD2 LEU 98 -2.835 2.302 2.072 782 HD23 LEU 98 3HD2 LEU 98 -1.825 2.468 0.633 783 H GLN 99 H GLN 99 -5.000 5.425 4.814 784 HA GLN 99 HA GLN 99 -3.847 6.912 6.901 785 HB2 GLN 99 2HB GLN 99 -6.744 6.404 6.220 786 HB3 GLN 99 1HB GLN 99 -6.211 7.543 7.449 787 HG2 GLN 99 2HG GLN 99 -5.565 7.673 4.514 788 HG3 GLN 99 1HG GLN 99 -6.731 8.679 5.373 789 HE21 GLN 99 1HE2 GLN 99 -5.968 10.244 6.822 790 HE22 GLN 99 2HE2 GLN 99 -4.339 10.813 6.772 791 H LYS 100 H LYS 100 -5.778 3.977 6.865 792 HA LYS 100 HA LYS 100 -6.027 3.755 9.672 793 HB2 LYS 100 2HB LYS 100 -6.333 1.808 7.411 794 HB3 LYS 100 1HB LYS 100 -6.411 1.263 9.081 795 HG2 LYS 100 2HG LYS 100 -8.142 3.455 7.984 796 HG3 LYS 100 1HG LYS 100 -8.613 1.754 7.996 797 HD2 LYS 100 2HD LYS 100 -8.584 1.669 10.366 798 HD3 LYS 100 1HD LYS 100 -7.759 3.223 10.483 799 HE2 LYS 100 2HE LYS 100 -10.536 2.842 9.374 800 HE3 LYS 100 1HE LYS 100 -10.181 3.323 11.033 801 HZ1 LYS 100 1HZ LYS 100 -9.495 4.826 8.568 802 HZ2 LYS 100 2HZ LYS 100 -8.984 5.260 10.117 803 HZ3 LYS 100 3HZ LYS 100 -10.636 5.266 9.733 804 H ILE 101 H ILE 101 -3.608 2.654 7.374 805 HA ILE 101 HA ILE 101 -2.153 1.021 9.143 806 HB ILE 101 HB ILE 101 -1.183 2.606 6.748 807 HG12 ILE 101 2HG1 ILE 101 -1.929 -0.311 7.075 808 HG13 ILE 101 1HG1 ILE 101 -2.882 0.909 6.240 809 HG21 ILE 101 1HG2 ILE 101 0.224 0.411 8.270 810 HG22 ILE 101 2HG2 ILE 101 0.693 2.110 8.225 811 HG23 ILE 101 3HG2 ILE 101 0.781 1.131 6.760 812 HD11 ILE 101 1HD1 ILE 101 -1.672 -0.534 4.692 813 HD12 ILE 101 2HD1 ILE 101 -0.144 -0.038 5.420 814 HD13 ILE 101 3HD1 ILE 101 -1.139 1.140 4.567 815 H ARG 102 H ARG 102 -1.992 4.483 8.456 816 HA ARG 102 HA ARG 102 0.190 5.121 10.111 817 HB2 ARG 102 2HB ARG 102 -2.178 6.691 9.125 818 HB3 ARG 102 1HB ARG 102 -1.042 7.410 10.255 819 HG2 ARG 102 2HG ARG 102 0.767 7.129 8.665 820 HG3 ARG 102 1HG ARG 102 -0.315 6.294 7.548 821 HD2 ARG 102 2HD ARG 102 -1.552 8.253 7.112 822 HD3 ARG 102 1HD ARG 102 -0.889 9.085 8.515 823 HE ARG 102 HE ARG 102 1.314 8.750 7.080 824 HH11 ARG 102 1HH1 ARG 102 -1.871 9.763 5.978 825 HH12 ARG 102 2HH1 ARG 102 -1.246 10.810 4.752 826 HH21 ARG 102 1HH2 ARG 102 2.136 10.187 5.439 827 HH22 ARG 102 2HH2 ARG 102 0.999 11.037 4.445 828 H GLU 103 H GLU 103 -3.244 4.754 10.791 829 HA GLU 103 HA GLU 103 -3.107 5.603 13.513 830 HB2 GLU 103 2HB GLU 103 -5.188 3.890 12.138 831 HB3 GLU 103 1HB GLU 103 -5.378 4.704 13.683 832 HG2 GLU 103 2HG GLU 103 -5.201 6.869 12.581 833 HG3 GLU 103 1HG GLU 103 -4.962 6.066 11.031 834 H LEU 104 H LEU 104 -3.155 2.470 11.890 835 HA LEU 104 HA LEU 104 -3.255 0.832 14.156 836 HB2 LEU 104 2HB LEU 104 -2.152 0.278 11.413 837 HB3 LEU 104 1HB LEU 104 -2.350 -0.946 12.650 838 HG LEU 104 HG LEU 104 -4.579 0.656 11.389 839 HD11 LEU 104 1HD1 LEU 104 -3.787 -2.232 11.053 840 HD12 LEU 104 2HD1 LEU 104 -3.617 -0.954 9.848 841 HD13 LEU 104 3HD1 LEU 104 -5.221 -1.470 10.366 842 HD21 LEU 104 1HD2 LEU 104 -4.653 -1.586 13.409 843 HD22 LEU 104 2HD2 LEU 104 -6.058 -0.912 12.587 844 HD23 LEU 104 3HD2 LEU 104 -5.117 0.093 13.686 845 H ALA 105 H ALA 105 -0.556 2.455 12.671 846 HA ALA 105 HA ALA 105 1.510 0.870 13.727 847 HB1 ALA 105 1HB ALA 105 1.545 3.824 13.108 848 HB2 ALA 105 2HB ALA 105 1.875 2.525 11.963 849 HB3 ALA 105 3HB ALA 105 2.961 2.796 13.325 850 H GLU 106 H GLU 106 -0.452 3.387 15.167 851 HA GLU 106 HA GLU 106 1.178 3.362 17.596 852 HB2 GLU 106 2HB GLU 106 0.287 5.516 16.664 853 HB3 GLU 106 1HB GLU 106 -1.333 4.945 17.035 854 HG2 GLU 106 2HG GLU 106 -0.672 4.780 19.415 855 HG3 GLU 106 1HG GLU 106 0.882 5.494 18.993 856 H LYS 107 H LYS 107 -1.639 1.977 16.274 857 HA LYS 107 HA LYS 107 -2.801 1.369 18.884 858 HB2 LYS 107 2HB LYS 107 -3.854 1.170 16.082 859 HB3 LYS 107 1HB LYS 107 -4.712 0.516 17.466 860 HG2 LYS 107 2HG LYS 107 -4.907 2.706 18.444 861 HG3 LYS 107 1HG LYS 107 -3.906 3.398 17.166 862 HD2 LYS 107 2HD LYS 107 -6.322 3.796 16.817 863 HD3 LYS 107 1HD LYS 107 -5.581 2.876 15.509 864 HE2 LYS 107 2HE LYS 107 -7.760 1.956 16.131 865 HE3 LYS 107 1HE LYS 107 -6.464 0.807 16.441 866 HZ1 LYS 107 1HZ LYS 107 -7.795 2.517 18.474 867 HZ2 LYS 107 2HZ LYS 107 -6.540 1.430 18.791 868 HZ3 LYS 107 3HZ LYS 107 -8.033 0.860 18.257 869 H LYS 108 H LYS 108 -0.493 -0.054 17.188 870 HA LYS 108 HA LYS 108 -1.488 -2.720 16.956 871 HB2 LYS 108 2HB LYS 108 0.554 -1.628 15.755 872 HB3 LYS 108 1HB LYS 108 1.438 -2.040 17.212 873 HG2 LYS 108 2HG LYS 108 -0.017 -4.025 15.453 874 HG3 LYS 108 1HG LYS 108 1.712 -3.699 15.394 875 HD2 LYS 108 2HD LYS 108 0.251 -4.723 17.837 876 HD3 LYS 108 1HD LYS 108 1.091 -5.755 16.679 877 HE2 LYS 108 2HE LYS 108 3.197 -4.671 17.195 878 HE3 LYS 108 1HE LYS 108 2.383 -3.535 18.267 879 HZ1 LYS 108 1HZ LYS 108 2.522 -6.480 18.673 880 HZ2 LYS 108 2HZ LYS 108 1.766 -5.372 19.705 881 HZ3 LYS 108 3HZ LYS 108 3.446 -5.324 19.499 882 H ASN 109 H ASN 109 -2.310 -3.459 18.855 883 HA ASN 109 HA ASN 109 -0.748 -3.239 21.284 884 HB2 ASN 109 2HB ASN 109 -3.289 -3.069 21.219 885 HB3 ASN 109 1HB ASN 109 -3.310 -4.799 20.904 886 HD21 ASN 109 1HD2 ASN 109 -4.471 -3.485 23.125 887 HD22 ASN 109 2HD2 ASN 109 -3.695 -4.078 24.549 Start of MODEL 5 1 H1 SER 1 1HT SER 1 14.308 -4.001 19.774 2 H2 SER 1 2HT SER 1 14.871 -4.591 18.300 3 H3 SER 1 3HT SER 1 14.095 -5.631 19.383 4 HA SER 1 HA SER 1 12.650 -5.034 17.573 5 HB2 SER 1 2HB SER 1 11.647 -5.494 19.765 6 HB3 SER 1 1HB SER 1 11.882 -3.813 20.242 7 HG SER 1 HG SER 1 9.860 -4.916 18.864 8 H GLU 2 H GLU 2 11.774 -3.487 16.235 9 HA GLU 2 HA GLU 2 12.516 -0.708 16.776 10 HB2 GLU 2 2HB GLU 2 14.149 -1.549 15.185 11 HB3 GLU 2 1HB GLU 2 12.870 -2.165 14.151 12 HG2 GLU 2 2HG GLU 2 13.796 -0.114 13.250 13 HG3 GLU 2 1HG GLU 2 12.112 0.113 13.714 14 H PHE 3 H PHE 3 11.007 0.739 16.337 15 HA PHE 3 HA PHE 3 8.509 -0.207 15.085 16 HB2 PHE 3 2HB PHE 3 8.809 1.891 17.251 17 HB3 PHE 3 1HB PHE 3 7.296 1.340 16.544 18 HD1 PHE 3 1HD PHE 3 10.011 0.540 18.850 19 HD2 PHE 3 2HD PHE 3 6.358 -0.811 17.143 20 HE1 PHE 3 1HE PHE 3 9.848 -1.194 20.585 21 HE2 PHE 3 2HE PHE 3 6.189 -2.548 18.875 22 HZ PHE 3 HZ PHE 3 7.935 -2.741 20.598 23 H GLU 4 H GLU 4 10.848 2.345 15.485 24 HA GLU 4 HA GLU 4 9.555 4.423 14.138 25 HB2 GLU 4 2HB GLU 4 11.505 4.729 15.571 26 HB3 GLU 4 1HB GLU 4 12.504 3.860 14.417 27 HG2 GLU 4 2HG GLU 4 12.089 5.613 12.760 28 HG3 GLU 4 1HG GLU 4 11.120 6.488 13.947 29 H LYS 5 H LYS 5 11.738 1.907 12.911 30 HA LYS 5 HA LYS 5 11.909 2.970 10.302 31 HB2 LYS 5 2HB LYS 5 13.470 1.260 11.305 32 HB3 LYS 5 1HB LYS 5 12.218 0.057 11.036 33 HG2 LYS 5 2HG LYS 5 13.871 -0.009 9.260 34 HG3 LYS 5 1HG LYS 5 12.304 0.504 8.629 35 HD2 LYS 5 2HD LYS 5 13.052 2.855 8.759 36 HD3 LYS 5 1HD LYS 5 14.630 2.302 9.319 37 HE2 LYS 5 2HE LYS 5 14.956 1.106 7.224 38 HE3 LYS 5 1HE LYS 5 13.359 1.613 6.674 39 HZ1 LYS 5 1HZ LYS 5 14.114 3.927 6.838 40 HZ2 LYS 5 2HZ LYS 5 15.037 3.035 5.734 41 HZ3 LYS 5 3HZ LYS 5 15.661 3.391 7.263 42 H LEU 6 H LEU 6 9.609 0.846 11.848 43 HA LEU 6 HA LEU 6 8.283 0.091 9.439 44 HB2 LEU 6 2HB LEU 6 8.140 -1.252 11.505 45 HB3 LEU 6 1HB LEU 6 7.277 0.055 12.289 46 HG LEU 6 HG LEU 6 5.403 -0.229 10.728 47 HD11 LEU 6 1HD1 LEU 6 5.337 -2.169 9.230 48 HD12 LEU 6 2HD1 LEU 6 7.013 -2.535 9.639 49 HD13 LEU 6 3HD1 LEU 6 6.618 -1.041 8.789 50 HD21 LEU 6 1HD2 LEU 6 6.235 -2.809 12.049 51 HD22 LEU 6 2HD2 LEU 6 4.595 -2.357 11.582 52 HD23 LEU 6 3HD2 LEU 6 5.430 -1.460 12.848 53 H ARG 7 H ARG 7 7.963 2.664 11.795 54 HA ARG 7 HA ARG 7 5.513 3.746 10.921 55 HB2 ARG 7 2HB ARG 7 7.885 5.194 12.118 56 HB3 ARG 7 1HB ARG 7 6.253 5.829 12.001 57 HG2 ARG 7 2HG ARG 7 5.491 3.974 13.464 58 HG3 ARG 7 1HG ARG 7 7.176 3.495 13.652 59 HD2 ARG 7 2HD ARG 7 6.429 4.865 15.524 60 HD3 ARG 7 1HD ARG 7 7.705 5.668 14.609 61 HE ARG 7 HE ARG 7 5.368 6.598 13.516 62 HH11 ARG 7 1HH1 ARG 7 6.759 6.545 16.740 63 HH12 ARG 7 2HH1 ARG 7 5.983 8.007 17.241 64 HH21 ARG 7 1HH2 ARG 7 4.337 8.522 14.163 65 HH22 ARG 7 2HH2 ARG 7 4.592 9.146 15.759 66 H GLN 8 H GLN 8 8.863 4.403 9.990 67 HA GLN 8 HA GLN 8 8.365 6.455 8.144 68 HB2 GLN 8 2HB GLN 8 10.619 5.818 9.004 69 HB3 GLN 8 1HB GLN 8 10.554 4.373 8.003 70 HG2 GLN 8 2HG GLN 8 10.119 6.115 6.086 71 HG3 GLN 8 1HG GLN 8 10.912 7.216 7.210 72 HE21 GLN 8 1HE2 GLN 8 11.798 6.297 4.623 73 HE22 GLN 8 2HE2 GLN 8 13.325 5.534 4.864 74 H THR 9 H THR 9 8.553 2.954 7.751 75 HA THR 9 HA THR 9 8.178 2.952 4.952 76 HB THR 9 HB THR 9 7.597 0.707 6.902 77 HG1 THR 9 1HG THR 9 9.731 1.265 7.183 78 HG21 THR 9 1HG2 THR 9 6.699 0.326 4.646 79 HG22 THR 9 2HG2 THR 9 8.062 -0.742 4.970 80 HG23 THR 9 3HG2 THR 9 8.280 0.682 3.953 81 H GLY 10 H GLY 10 5.941 2.814 7.684 82 HA2 GLY 10 2HA GLY 10 3.607 2.203 6.204 83 HA3 GLY 10 1HA GLY 10 3.650 3.009 7.769 84 H ASP 11 H ASP 11 5.037 5.279 7.216 85 HA ASP 11 HA ASP 11 3.107 6.949 5.983 86 HB2 ASP 11 2HB ASP 11 4.727 7.673 7.760 87 HB3 ASP 11 1HB ASP 11 6.012 7.590 6.561 88 H GLU 12 H GLU 12 6.074 5.459 4.926 89 HA GLU 12 HA GLU 12 6.561 6.822 2.543 90 HB2 GLU 12 2HB GLU 12 8.192 5.352 3.532 91 HB3 GLU 12 1HB GLU 12 7.119 3.976 3.357 92 HG2 GLU 12 2HG GLU 12 7.289 4.220 0.900 93 HG3 GLU 12 1HG GLU 12 8.474 5.503 1.152 94 H LEU 13 H LEU 13 4.628 3.895 3.131 95 HA LEU 13 HA LEU 13 3.968 3.434 0.440 96 HB2 LEU 13 2HB LEU 13 2.428 2.741 2.938 97 HB3 LEU 13 1HB LEU 13 2.023 2.157 1.338 98 HG LEU 13 HG LEU 13 4.520 1.523 2.907 99 HD11 LEU 13 1HD1 LEU 13 3.645 -0.753 2.871 100 HD12 LEU 13 2HD1 LEU 13 2.209 -0.191 2.014 101 HD13 LEU 13 3HD1 LEU 13 2.522 0.354 3.662 102 HD21 LEU 13 1HD2 LEU 13 5.069 0.014 1.038 103 HD22 LEU 13 2HD2 LEU 13 5.083 1.708 0.554 104 HD23 LEU 13 3HD2 LEU 13 3.717 0.679 0.121 105 H VAL 14 H VAL 14 2.288 5.253 2.962 106 HA VAL 14 HA VAL 14 0.010 5.921 1.482 107 HB VAL 14 HB VAL 14 1.317 7.615 3.622 108 HG11 VAL 14 1HG1 VAL 14 -0.420 8.789 2.384 109 HG12 VAL 14 2HG1 VAL 14 -0.949 8.447 4.032 110 HG13 VAL 14 3HG1 VAL 14 -1.549 7.469 2.691 111 HG21 VAL 14 1HG2 VAL 14 -0.172 6.436 5.198 112 HG22 VAL 14 2HG2 VAL 14 1.012 5.363 4.453 113 HG23 VAL 14 3HG2 VAL 14 -0.659 5.351 3.896 114 H GLN 15 H GLN 15 3.080 7.645 1.888 115 HA GLN 15 HA GLN 15 2.355 9.867 0.290 116 HB2 GLN 15 2HB GLN 15 5.093 8.820 1.000 117 HB3 GLN 15 1HB GLN 15 4.761 10.392 0.288 118 HG2 GLN 15 2HG GLN 15 3.876 9.425 2.996 119 HG3 GLN 15 1HG GLN 15 5.133 10.611 2.657 120 HE21 GLN 15 1HE2 GLN 15 4.541 12.656 1.937 121 HE22 GLN 15 2HE2 GLN 15 2.937 13.265 2.134 122 H ALA 16 H ALA 16 4.036 6.843 -0.419 123 HA ALA 16 HA ALA 16 4.845 7.449 -3.032 124 HB1 ALA 16 1HB ALA 16 5.688 5.530 -1.757 125 HB2 ALA 16 2HB ALA 16 5.083 5.049 -3.343 126 HB3 ALA 16 3HB ALA 16 4.113 4.750 -1.901 127 H PHE 17 H PHE 17 1.837 6.062 -1.799 128 HA PHE 17 HA PHE 17 0.707 5.632 -4.352 129 HB2 PHE 17 2HB PHE 17 -0.459 5.779 -1.597 130 HB3 PHE 17 1HB PHE 17 -1.506 5.677 -3.010 131 HD1 PHE 17 1HD PHE 17 0.276 3.831 -0.616 132 HD2 PHE 17 2HD PHE 17 -0.915 3.763 -4.692 133 HE1 PHE 17 1HE PHE 17 0.576 1.396 -0.656 134 HE2 PHE 17 2HE PHE 17 -0.621 1.323 -4.743 135 HZ PHE 17 HZ PHE 17 0.125 0.135 -2.721 136 H GLN 18 H GLN 18 0.692 8.390 -2.170 137 HA GLN 18 HA GLN 18 -1.229 9.913 -3.531 138 HB2 GLN 18 2HB GLN 18 1.163 10.833 -1.935 139 HB3 GLN 18 1HB GLN 18 -0.152 11.870 -2.462 140 HG2 GLN 18 2HG GLN 18 -0.341 9.554 -0.558 141 HG3 GLN 18 1HG GLN 18 -0.459 11.266 -0.158 142 HE21 GLN 18 1HE2 GLN 18 -2.346 9.077 0.255 143 HE22 GLN 18 2HE2 GLN 18 -3.824 9.562 -0.510 144 H ARG 19 H ARG 19 2.300 9.675 -3.976 145 HA ARG 19 HA ARG 19 2.330 11.573 -6.092 146 HB2 ARG 19 2HB ARG 19 4.600 11.107 -6.390 147 HB3 ARG 19 1HB ARG 19 4.352 10.753 -4.692 148 HG2 ARG 19 2HG ARG 19 4.347 8.384 -5.141 149 HG3 ARG 19 1HG ARG 19 4.428 8.682 -6.881 150 HD2 ARG 19 2HD ARG 19 6.587 9.917 -6.445 151 HD3 ARG 19 1HD ARG 19 6.519 9.291 -4.802 152 HE ARG 19 HE ARG 19 6.898 7.117 -5.628 153 HH11 ARG 19 1HH1 ARG 19 6.934 9.546 -8.174 154 HH12 ARG 19 2HH1 ARG 19 7.856 8.586 -9.268 155 HH21 ARG 19 1HH2 ARG 19 8.149 5.816 -7.102 156 HH22 ARG 19 2HH2 ARG 19 8.541 6.463 -8.659 157 H LEU 20 H LEU 20 1.825 8.134 -5.907 158 HA LEU 20 HA LEU 20 1.906 7.492 -8.638 159 HB2 LEU 20 2HB LEU 20 1.795 5.846 -6.782 160 HB3 LEU 20 1HB LEU 20 0.141 6.333 -6.474 161 HG LEU 20 HG LEU 20 -0.401 5.562 -8.821 162 HD11 LEU 20 1HD1 LEU 20 2.327 4.313 -8.575 163 HD12 LEU 20 2HD1 LEU 20 1.847 5.558 -9.729 164 HD13 LEU 20 3HD1 LEU 20 1.137 3.946 -9.822 165 HD21 LEU 20 1HD2 LEU 20 -0.507 3.206 -8.165 166 HD22 LEU 20 2HD2 LEU 20 -1.002 4.273 -6.852 167 HD23 LEU 20 3HD2 LEU 20 0.598 3.532 -6.829 168 H ARG 21 H ARG 21 -0.651 8.773 -6.563 169 HA ARG 21 HA ARG 21 -2.782 8.732 -8.367 170 HB2 ARG 21 2HB ARG 21 -2.171 10.586 -6.080 171 HB3 ARG 21 1HB ARG 21 -3.664 10.672 -7.001 172 HG2 ARG 21 2HG ARG 21 -4.177 8.361 -6.369 173 HG3 ARG 21 1HG ARG 21 -2.689 8.303 -5.421 174 HD2 ARG 21 2HD ARG 21 -4.623 8.750 -4.012 175 HD3 ARG 21 1HD ARG 21 -3.500 10.111 -4.020 176 HE ARG 21 HE ARG 21 -5.345 10.660 -5.988 177 HH11 ARG 21 1HH1 ARG 21 -5.513 10.097 -2.500 178 HH12 ARG 21 2HH1 ARG 21 -6.878 11.126 -2.292 179 HH21 ARG 21 1HH2 ARG 21 -7.152 12.014 -5.674 180 HH22 ARG 21 2HH2 ARG 21 -7.817 12.221 -4.089 181 H GLU 22 H GLU 22 -0.211 11.089 -7.873 182 HA GLU 22 HA GLU 22 -1.123 13.131 -9.537 183 HB2 GLU 22 2HB GLU 22 1.145 12.543 -8.005 184 HB3 GLU 22 1HB GLU 22 1.746 12.776 -9.638 185 HG2 GLU 22 2HG GLU 22 0.008 14.727 -8.163 186 HG3 GLU 22 1HG GLU 22 1.765 14.799 -8.251 187 H ILE 23 H ILE 23 0.918 10.318 -10.217 188 HA ILE 23 HA ILE 23 1.283 10.858 -12.978 189 HB ILE 23 HB ILE 23 1.457 8.223 -11.497 190 HG12 ILE 23 2HG1 ILE 23 3.628 10.184 -12.261 191 HG13 ILE 23 1HG1 ILE 23 2.950 10.020 -10.646 192 HG21 ILE 23 1HG2 ILE 23 2.847 7.482 -13.377 193 HG22 ILE 23 2HG2 ILE 23 2.552 9.015 -14.198 194 HG23 ILE 23 3HG2 ILE 23 1.217 7.899 -13.907 195 HD11 ILE 23 1HD1 ILE 23 3.768 7.726 -10.550 196 HD12 ILE 23 2HD1 ILE 23 5.073 8.881 -10.826 197 HD13 ILE 23 3HD1 ILE 23 4.457 7.908 -12.162 198 H PHE 24 H PHE 24 -1.014 8.907 -11.158 199 HA PHE 24 HA PHE 24 -2.374 7.721 -13.298 200 HB2 PHE 24 2HB PHE 24 -2.657 6.975 -10.979 201 HB3 PHE 24 1HB PHE 24 -3.423 8.504 -10.566 202 HD1 PHE 24 1HD PHE 24 -3.807 5.410 -12.544 203 HD2 PHE 24 2HD PHE 24 -5.726 8.857 -10.948 204 HE1 PHE 24 1HE PHE 24 -5.996 4.459 -13.130 205 HE2 PHE 24 2HE PHE 24 -7.919 7.911 -11.532 206 HZ PHE 24 HZ PHE 24 -8.058 5.713 -12.625 207 H ASP 25 H ASP 25 -2.780 10.827 -11.709 208 HA ASP 25 HA ASP 25 -5.193 11.634 -12.884 209 HB2 ASP 25 2HB ASP 25 -4.290 12.827 -10.995 210 HB3 ASP 25 1HB ASP 25 -2.835 13.244 -11.892 211 H LYS 26 H LYS 26 -1.895 11.759 -14.062 212 HA LYS 26 HA LYS 26 -2.638 13.341 -16.368 213 HB2 LYS 26 2HB LYS 26 -0.054 12.206 -15.352 214 HB3 LYS 26 1HB LYS 26 -0.171 12.719 -17.029 215 HG2 LYS 26 2HG LYS 26 0.768 14.470 -15.586 216 HG3 LYS 26 1HG LYS 26 -0.745 14.975 -16.336 217 HD2 LYS 26 2HD LYS 26 -1.907 14.309 -14.214 218 HD3 LYS 26 1HD LYS 26 -0.317 14.059 -13.496 219 HE2 LYS 26 2HE LYS 26 0.243 16.378 -13.805 220 HE3 LYS 26 1HE LYS 26 -1.246 16.657 -14.710 221 HZ1 LYS 26 1HZ LYS 26 -2.478 16.021 -12.676 222 HZ2 LYS 26 2HZ LYS 26 -1.559 17.430 -12.487 223 HZ3 LYS 26 3HZ LYS 26 -1.009 15.973 -11.823 224 H GLY 27 H GLY 27 -2.892 10.149 -15.535 225 HA2 GLY 27 2HA GLY 27 -3.625 8.340 -16.740 226 HA3 GLY 27 1HA GLY 27 -3.795 9.409 -18.121 227 H ASP 28 H ASP 28 -0.737 9.026 -16.491 228 HA ASP 28 HA ASP 28 0.353 7.965 -18.966 229 HB2 ASP 28 2HB ASP 28 1.448 9.839 -17.606 230 HB3 ASP 28 1HB ASP 28 1.930 8.579 -16.473 231 H ASP 29 H ASP 29 -0.322 5.897 -19.062 232 HA ASP 29 HA ASP 29 -0.423 4.052 -16.955 233 HB2 ASP 29 2HB ASP 29 -0.088 3.496 -19.906 234 HB3 ASP 29 1HB ASP 29 -0.599 2.330 -18.694 235 H ASP 30 H ASP 30 2.132 4.805 -19.248 236 HA ASP 30 HA ASP 30 3.798 2.604 -18.745 237 HB2 ASP 30 2HB ASP 30 4.439 5.394 -19.700 238 HB3 ASP 30 1HB ASP 30 5.642 4.114 -19.603 239 H SER 31 H SER 31 3.899 5.881 -17.367 240 HA SER 31 HA SER 31 6.010 5.256 -15.568 241 HB2 SER 31 2HB SER 31 3.987 7.493 -15.359 242 HB3 SER 31 1HB SER 31 5.575 7.427 -14.595 243 HG SER 31 HG SER 31 4.932 7.670 -17.344 244 H LEU 32 H LEU 32 2.526 5.111 -15.418 245 HA LEU 32 HA LEU 32 2.188 4.906 -12.644 246 HB2 LEU 32 2HB LEU 32 0.407 5.276 -14.374 247 HB3 LEU 32 1HB LEU 32 0.539 3.584 -14.798 248 HG LEU 32 HG LEU 32 -0.114 3.057 -12.408 249 HD11 LEU 32 1HD1 LEU 32 -1.290 4.804 -11.181 250 HD12 LEU 32 2HD1 LEU 32 -0.856 5.976 -12.425 251 HD13 LEU 32 3HD1 LEU 32 0.401 5.232 -11.438 252 HD21 LEU 32 1HD2 LEU 32 -1.657 2.844 -14.284 253 HD22 LEU 32 2HD2 LEU 32 -2.084 4.549 -14.135 254 HD23 LEU 32 3HD2 LEU 32 -2.489 3.422 -12.840 255 H GLU 33 H GLU 33 2.593 2.389 -15.143 256 HA GLU 33 HA GLU 33 2.445 0.203 -13.381 257 HB2 GLU 33 2HB GLU 33 2.135 0.097 -15.847 258 HB3 GLU 33 1HB GLU 33 3.864 0.347 -16.039 259 HG2 GLU 33 2HG GLU 33 3.280 -1.991 -16.257 260 HG3 GLU 33 1HG GLU 33 4.311 -1.714 -14.852 261 H GLN 34 H GLN 34 5.178 2.096 -14.601 262 HA GLN 34 HA GLN 34 7.226 0.501 -13.537 263 HB2 GLN 34 2HB GLN 34 7.217 3.493 -13.981 264 HB3 GLN 34 1HB GLN 34 8.649 2.519 -13.680 265 HG2 GLN 34 2HG GLN 34 6.824 2.360 -16.066 266 HG3 GLN 34 1HG GLN 34 8.466 2.996 -16.026 267 HE21 GLN 34 1HE2 GLN 34 7.316 0.849 -17.628 268 HE22 GLN 34 2HE2 GLN 34 8.259 -0.560 -17.297 269 H VAL 35 H VAL 35 5.429 3.209 -12.141 270 HA VAL 35 HA VAL 35 6.844 3.140 -9.682 271 HB VAL 35 HB VAL 35 4.118 4.322 -10.275 272 HG11 VAL 35 1HG1 VAL 35 5.969 4.779 -7.927 273 HG12 VAL 35 2HG1 VAL 35 4.434 3.912 -7.875 274 HG13 VAL 35 3HG1 VAL 35 4.460 5.639 -8.233 275 HG21 VAL 35 1HG2 VAL 35 6.864 5.564 -10.179 276 HG22 VAL 35 2HG2 VAL 35 5.352 6.447 -10.375 277 HG23 VAL 35 3HG2 VAL 35 5.878 5.313 -11.619 278 H LEU 36 H LEU 36 3.937 1.534 -10.881 279 HA LEU 36 HA LEU 36 3.034 0.481 -8.441 280 HB2 LEU 36 2HB LEU 36 2.839 -0.612 -11.243 281 HB3 LEU 36 1HB LEU 36 2.070 -1.377 -9.870 282 HG LEU 36 HG LEU 36 1.476 1.399 -10.892 283 HD11 LEU 36 1HD1 LEU 36 -0.660 0.448 -11.576 284 HD12 LEU 36 2HD1 LEU 36 -0.134 -1.144 -11.032 285 HD13 LEU 36 3HD1 LEU 36 0.681 -0.361 -12.385 286 HD21 LEU 36 1HD2 LEU 36 0.219 -0.210 -8.671 287 HD22 LEU 36 2HD2 LEU 36 -0.400 1.315 -9.300 288 HD23 LEU 36 3HD2 LEU 36 1.164 1.269 -8.489 289 H GLU 37 H GLU 37 5.493 -0.650 -10.692 290 HA GLU 37 HA GLU 37 6.053 -3.099 -9.418 291 HB2 GLU 37 2HB GLU 37 6.916 -2.565 -11.646 292 HB3 GLU 37 1HB GLU 37 7.898 -1.272 -10.970 293 HG2 GLU 37 2HG GLU 37 9.125 -2.955 -9.642 294 HG3 GLU 37 1HG GLU 37 8.198 -4.217 -10.447 295 H GLU 38 H GLU 38 7.357 0.169 -8.972 296 HA GLU 38 HA GLU 38 9.213 -0.427 -7.010 297 HB2 GLU 38 2HB GLU 38 9.148 1.634 -8.329 298 HB3 GLU 38 1HB GLU 38 7.640 2.084 -7.548 299 HG2 GLU 38 2HG GLU 38 8.762 2.158 -5.432 300 HG3 GLU 38 1HG GLU 38 10.276 1.718 -6.226 301 H ILE 39 H ILE 39 5.812 0.523 -6.876 302 HA ILE 39 HA ILE 39 5.510 0.671 -4.093 303 HB ILE 39 HB ILE 39 3.502 -0.227 -6.180 304 HG12 ILE 39 2HG1 ILE 39 4.313 2.049 -6.571 305 HG13 ILE 39 1HG1 ILE 39 2.634 2.069 -6.047 306 HG21 ILE 39 1HG2 ILE 39 1.774 0.320 -4.534 307 HG22 ILE 39 2HG2 ILE 39 3.027 0.643 -3.336 308 HG23 ILE 39 3HG2 ILE 39 2.824 -0.986 -3.983 309 HD11 ILE 39 1HD1 ILE 39 3.379 2.668 -3.783 310 HD12 ILE 39 2HD1 ILE 39 3.863 3.850 -4.998 311 HD13 ILE 39 3HD1 ILE 39 5.044 2.706 -4.363 312 H GLU 40 H GLU 40 5.343 -2.009 -6.347 313 HA GLU 40 HA GLU 40 4.475 -4.004 -4.575 314 HB2 GLU 40 2HB GLU 40 4.523 -4.151 -7.070 315 HB3 GLU 40 1HB GLU 40 6.269 -4.308 -6.990 316 HG2 GLU 40 2HG GLU 40 6.054 -6.401 -5.802 317 HG3 GLU 40 1HG GLU 40 4.298 -6.226 -5.776 318 H GLU 41 H GLU 41 7.704 -2.841 -5.453 319 HA GLU 41 HA GLU 41 9.176 -4.666 -3.895 320 HB2 GLU 41 2HB GLU 41 9.896 -1.847 -4.704 321 HB3 GLU 41 1HB GLU 41 11.011 -3.086 -4.158 322 HG2 GLU 41 2HG GLU 41 10.452 -4.437 -6.127 323 HG3 GLU 41 1HG GLU 41 9.381 -3.150 -6.682 324 H LEU 42 H LEU 42 7.876 -1.437 -3.253 325 HA LEU 42 HA LEU 42 8.946 -1.105 -0.676 326 HB2 LEU 42 2HB LEU 42 6.362 -0.011 -1.791 327 HB3 LEU 42 1HB LEU 42 7.159 0.558 -0.340 328 HG LEU 42 HG LEU 42 8.215 0.774 -3.156 329 HD11 LEU 42 1HD1 LEU 42 7.228 2.873 -1.233 330 HD12 LEU 42 2HD1 LEU 42 6.393 2.313 -2.681 331 HD13 LEU 42 3HD1 LEU 42 7.925 3.175 -2.824 332 HD21 LEU 42 1HD2 LEU 42 9.420 1.704 -0.549 333 HD22 LEU 42 2HD2 LEU 42 10.026 2.108 -2.155 334 HD23 LEU 42 3HD2 LEU 42 10.050 0.435 -1.601 335 H ILE 43 H ILE 43 5.965 -2.596 -1.808 336 HA ILE 43 HA ILE 43 4.796 -3.120 0.685 337 HB ILE 43 HB ILE 43 4.594 -4.712 -1.887 338 HG12 ILE 43 2HG1 ILE 43 2.739 -2.648 -0.673 339 HG13 ILE 43 1HG1 ILE 43 3.812 -2.377 -2.040 340 HG21 ILE 43 1HG2 ILE 43 3.971 -6.111 0.010 341 HG22 ILE 43 2HG2 ILE 43 2.548 -5.690 -0.943 342 HG23 ILE 43 3HG2 ILE 43 2.863 -4.863 0.583 343 HD11 ILE 43 1HD1 ILE 43 1.520 -2.726 -2.765 344 HD12 ILE 43 2HD1 ILE 43 1.496 -4.301 -1.972 345 HD13 ILE 43 3HD1 ILE 43 2.566 -4.022 -3.345 346 H GLN 44 H GLN 44 7.145 -4.968 -1.217 347 HA GLN 44 HA GLN 44 7.253 -7.238 0.448 348 HB2 GLN 44 2HB GLN 44 9.463 -6.057 -1.249 349 HB3 GLN 44 1HB GLN 44 9.438 -7.687 -0.593 350 HG2 GLN 44 2HG GLN 44 7.524 -6.554 -2.620 351 HG3 GLN 44 1HG GLN 44 8.837 -7.685 -2.937 352 HE21 GLN 44 1HE2 GLN 44 5.945 -7.915 -3.366 353 HE22 GLN 44 2HE2 GLN 44 5.464 -9.347 -2.529 354 H LYS 45 H LYS 45 8.997 -4.182 0.512 355 HA LYS 45 HA LYS 45 10.751 -4.837 2.632 356 HB2 LYS 45 2HB LYS 45 11.178 -2.950 1.126 357 HB3 LYS 45 1HB LYS 45 9.736 -2.137 1.712 358 HG2 LYS 45 2HG LYS 45 10.709 -1.711 3.821 359 HG3 LYS 45 1HG LYS 45 12.030 -2.842 3.523 360 HD2 LYS 45 2HD LYS 45 12.828 -0.564 3.290 361 HD3 LYS 45 1HD LYS 45 12.856 -1.368 1.722 362 HE2 LYS 45 2HE LYS 45 11.999 0.805 1.340 363 HE3 LYS 45 1HE LYS 45 10.615 -0.281 1.270 364 HZ1 LYS 45 1HZ LYS 45 10.159 0.341 3.618 365 HZ2 LYS 45 2HZ LYS 45 10.017 1.625 2.525 366 HZ3 LYS 45 3HZ LYS 45 11.389 1.501 3.511 367 H HIS 46 H HIS 46 7.573 -3.280 2.535 368 HA HIS 46 HA HIS 46 7.417 -2.773 5.323 369 HB2 HIS 46 2HB HIS 46 6.004 -1.657 3.554 370 HB3 HIS 46 1HB HIS 46 5.106 -3.161 3.400 371 HD1 HIS 46 1HD HIS 46 4.987 -0.003 5.146 372 HD2 HIS 46 2HD HIS 46 3.865 -3.906 6.007 373 HE1 HIS 46 1HE HIS 46 3.351 0.139 7.061 374 H ARG 47 H ARG 47 6.456 -5.463 3.273 375 HA ARG 47 HA ARG 47 4.962 -6.950 5.112 376 HB2 ARG 47 2HB ARG 47 4.966 -7.484 2.756 377 HB3 ARG 47 1HB ARG 47 6.690 -7.799 2.782 378 HG2 ARG 47 2HG ARG 47 5.700 -9.909 2.692 379 HG3 ARG 47 1HG ARG 47 6.151 -9.710 4.382 380 HD2 ARG 47 2HD ARG 47 3.398 -9.101 3.330 381 HD3 ARG 47 1HD ARG 47 3.853 -10.687 3.934 382 HE ARG 47 HE ARG 47 3.429 -8.266 5.477 383 HH11 ARG 47 1HH1 ARG 47 4.574 -11.587 5.440 384 HH12 ARG 47 2HH1 ARG 47 4.441 -11.791 7.158 385 HH21 ARG 47 1HH2 ARG 47 3.224 -8.568 7.771 386 HH22 ARG 47 2HH2 ARG 47 3.671 -10.092 8.465 387 H GLN 48 H GLN 48 8.441 -6.982 4.408 388 HA GLN 48 HA GLN 48 9.024 -9.053 6.258 389 HB2 GLN 48 2HB GLN 48 10.783 -7.002 4.927 390 HB3 GLN 48 1HB GLN 48 11.399 -8.277 5.969 391 HG2 GLN 48 2HG GLN 48 9.865 -8.681 3.411 392 HG3 GLN 48 1HG GLN 48 11.606 -8.863 3.614 393 HE21 GLN 48 1HE2 GLN 48 12.393 -10.615 4.794 394 HE22 GLN 48 2HE2 GLN 48 11.427 -12.015 5.116 395 H LEU 49 H LEU 49 9.249 -5.516 6.459 396 HA LEU 49 HA LEU 49 10.404 -5.476 9.039 397 HB2 LEU 49 2HB LEU 49 8.791 -3.376 7.599 398 HB3 LEU 49 1HB LEU 49 9.654 -3.102 9.098 399 HG LEU 49 HG LEU 49 10.916 -3.842 6.457 400 HD11 LEU 49 1HD1 LEU 49 10.047 -1.578 6.456 401 HD12 LEU 49 2HD1 LEU 49 11.810 -1.565 6.513 402 HD13 LEU 49 3HD1 LEU 49 10.877 -1.241 7.974 403 HD21 LEU 49 1HD2 LEU 49 12.199 -4.737 8.310 404 HD22 LEU 49 2HD2 LEU 49 12.155 -3.175 9.126 405 HD23 LEU 49 3HD2 LEU 49 13.039 -3.353 7.611 406 H PHE 50 H PHE 50 7.052 -5.272 7.940 407 HA PHE 50 HA PHE 50 5.919 -4.844 10.496 408 HB2 PHE 50 2HB PHE 50 4.753 -4.398 8.338 409 HB3 PHE 50 1HB PHE 50 4.650 -6.130 8.064 410 HD1 PHE 50 1HD PHE 50 3.479 -3.355 10.182 411 HD2 PHE 50 2HD PHE 50 2.964 -7.440 9.113 412 HE1 PHE 50 1HE PHE 50 1.336 -3.396 11.389 413 HE2 PHE 50 2HE PHE 50 0.820 -7.489 10.317 414 HZ PHE 50 HZ PHE 50 0.003 -5.465 11.457 415 H ASP 51 H ASP 51 6.753 -7.728 8.672 416 HA ASP 51 HA ASP 51 5.450 -9.548 10.463 417 HB2 ASP 51 2HB ASP 51 6.065 -9.880 7.970 418 HB3 ASP 51 1HB ASP 51 7.657 -10.317 8.581 419 H ASN 52 H ASN 52 8.695 -8.252 10.111 420 HA ASN 52 HA ASN 52 10.036 -9.991 11.873 421 HB2 ASN 52 2HB ASN 52 11.222 -8.466 10.344 422 HB3 ASN 52 1HB ASN 52 10.629 -7.083 11.255 423 HD21 ASN 52 1HD2 ASN 52 11.581 -6.564 13.211 424 HD22 ASN 52 2HD2 ASN 52 13.045 -7.293 13.761 425 H ARG 53 H ARG 53 8.147 -7.102 12.409 426 HA ARG 53 HA ARG 53 8.773 -6.803 15.164 427 HB2 ARG 53 2HB ARG 53 6.954 -5.568 13.246 428 HB3 ARG 53 1HB ARG 53 6.289 -5.671 14.867 429 HG2 ARG 53 2HG ARG 53 8.650 -4.682 15.517 430 HG3 ARG 53 1HG ARG 53 8.581 -4.092 13.852 431 HD2 ARG 53 2HD ARG 53 7.645 -2.485 15.489 432 HD3 ARG 53 1HD ARG 53 6.465 -3.009 14.282 433 HE ARG 53 HE ARG 53 6.530 -4.466 16.801 434 HH11 ARG 53 1HH1 ARG 53 4.948 -1.958 14.917 435 HH12 ARG 53 2HH1 ARG 53 3.448 -2.105 15.763 436 HH21 ARG 53 1HH2 ARG 53 4.564 -4.653 17.909 437 HH22 ARG 53 2HH2 ARG 53 3.220 -3.653 17.474 438 H GLN 54 H GLN 54 6.636 -8.868 13.437 439 HA GLN 54 HA GLN 54 4.752 -9.234 15.540 440 HB2 GLN 54 2HB GLN 54 5.239 -10.949 13.109 441 HB3 GLN 54 1HB GLN 54 3.844 -11.041 14.175 442 HG2 GLN 54 2HG GLN 54 4.620 -8.725 12.427 443 HG3 GLN 54 1HG GLN 54 3.281 -9.841 12.170 444 HE21 GLN 54 1HE2 GLN 54 3.351 -6.929 12.516 445 HE22 GLN 54 2HE2 GLN 54 2.281 -6.591 13.835 446 H GLU 55 H GLU 55 6.066 -9.728 17.315 447 HA GLU 55 HA GLU 55 7.327 -12.335 17.342 448 HB2 GLU 55 2HB GLU 55 7.740 -11.759 19.787 449 HB3 GLU 55 1HB GLU 55 8.514 -10.706 18.615 450 HG2 GLU 55 2HG GLU 55 6.689 -9.066 18.948 451 HG3 GLU 55 1HG GLU 55 6.019 -10.116 20.196 452 H ALA 56 H ALA 56 5.971 -13.962 17.307 453 HA ALA 56 HA ALA 56 4.296 -15.400 17.792 454 HB1 ALA 56 1HB ALA 56 3.031 -15.239 19.881 455 HB2 ALA 56 2HB ALA 56 3.662 -13.617 20.153 456 HB3 ALA 56 3HB ALA 56 4.751 -15.002 20.186 457 H ALA 57 H ALA 57 1.991 -15.614 17.512 458 HA ALA 57 HA ALA 57 0.025 -15.113 16.486 459 HB1 ALA 57 1HB ALA 57 -0.985 -12.926 16.846 460 HB2 ALA 57 2HB ALA 57 0.566 -12.279 17.380 461 HB3 ALA 57 3HB ALA 57 -0.249 -13.515 18.337 462 H ASP 58 H ASP 58 2.763 -14.683 15.170 463 HA ASP 58 HA ASP 58 2.508 -12.679 13.217 464 HB2 ASP 58 2HB ASP 58 4.310 -13.889 11.991 465 HB3 ASP 58 1HB ASP 58 4.687 -13.590 13.681 466 H THR 59 H THR 59 1.082 -15.796 13.415 467 HA THR 59 HA THR 59 0.574 -16.269 10.693 468 HB THR 59 HB THR 59 0.225 -18.058 12.285 469 HG1 THR 59 1HG THR 59 -1.293 -17.699 10.369 470 HG21 THR 59 1HG2 THR 59 -0.458 -16.714 14.223 471 HG22 THR 59 2HG2 THR 59 -1.597 -18.026 13.927 472 HG23 THR 59 3HG2 THR 59 -2.006 -16.379 13.448 473 H GLU 60 H GLU 60 -0.972 -14.193 13.038 474 HA GLU 60 HA GLU 60 -3.335 -13.699 11.537 475 HB2 GLU 60 2HB GLU 60 -2.011 -12.113 13.739 476 HB3 GLU 60 1HB GLU 60 -3.623 -11.804 13.106 477 HG2 GLU 60 2HG GLU 60 -4.399 -13.935 13.883 478 HG3 GLU 60 1HG GLU 60 -2.770 -14.393 14.377 479 H ALA 61 H ALA 61 -0.194 -12.157 11.824 480 HA ALA 61 HA ALA 61 -0.753 -9.894 10.229 481 HB1 ALA 61 1HB ALA 61 1.676 -9.647 10.073 482 HB2 ALA 61 2HB ALA 61 1.885 -11.271 10.729 483 HB3 ALA 61 3HB ALA 61 1.173 -10.002 11.726 484 H ALA 62 H ALA 62 0.277 -13.165 9.505 485 HA ALA 62 HA ALA 62 0.936 -12.756 6.784 486 HB1 ALA 62 1HB ALA 62 -0.012 -15.267 8.166 487 HB2 ALA 62 2HB ALA 62 1.663 -14.741 8.010 488 HB3 ALA 62 3HB ALA 62 0.744 -15.193 6.575 489 H LYS 63 H LYS 63 -2.044 -13.519 8.470 490 HA LYS 63 HA LYS 63 -3.606 -13.945 6.124 491 HB2 LYS 63 2HB LYS 63 -4.400 -13.275 8.960 492 HB3 LYS 63 1HB LYS 63 -5.545 -13.650 7.684 493 HG2 LYS 63 2HG LYS 63 -4.569 -15.882 7.464 494 HG3 LYS 63 1HG LYS 63 -3.426 -15.500 8.756 495 HD2 LYS 63 2HD LYS 63 -5.243 -15.209 10.328 496 HD3 LYS 63 1HD LYS 63 -6.427 -15.449 9.044 497 HE2 LYS 63 2HE LYS 63 -5.627 -17.738 8.735 498 HE3 LYS 63 1HE LYS 63 -4.432 -17.493 10.007 499 HZ1 LYS 63 1HZ LYS 63 -6.202 -17.186 11.593 500 HZ2 LYS 63 2HZ LYS 63 -6.417 -18.660 10.802 501 HZ3 LYS 63 3HZ LYS 63 -7.376 -17.334 10.389 502 H GLN 64 H GLN 64 -2.991 -11.185 8.230 503 HA GLN 64 HA GLN 64 -4.857 -9.405 7.098 504 HB2 GLN 64 2HB GLN 64 -3.710 -9.095 9.287 505 HB3 GLN 64 1HB GLN 64 -2.221 -8.741 8.427 506 HG2 GLN 64 2HG GLN 64 -3.242 -6.693 9.149 507 HG3 GLN 64 1HG GLN 64 -3.314 -6.792 7.391 508 HE21 GLN 64 1HE2 GLN 64 -5.135 -6.893 10.345 509 HE22 GLN 64 2HE2 GLN 64 -6.695 -6.715 9.623 510 H GLY 65 H GLY 65 -1.539 -10.190 6.261 511 HA2 GLY 65 2HA GLY 65 -1.007 -8.107 4.461 512 HA3 GLY 65 1HA GLY 65 -0.233 -9.683 4.449 513 H ASP 66 H ASP 66 -2.739 -11.117 4.006 514 HA ASP 66 HA ASP 66 -2.620 -11.285 1.209 515 HB2 ASP 66 2HB ASP 66 -3.354 -13.136 2.659 516 HB3 ASP 66 1HB ASP 66 -4.824 -12.247 3.041 517 H GLN 67 H GLN 67 -4.849 -9.539 3.315 518 HA GLN 67 HA GLN 67 -6.728 -8.829 1.319 519 HB2 GLN 67 2HB GLN 67 -6.034 -7.586 3.975 520 HB3 GLN 67 1HB GLN 67 -7.252 -6.894 2.921 521 HG2 GLN 67 2HG GLN 67 -8.347 -8.213 4.567 522 HG3 GLN 67 1HG GLN 67 -8.482 -9.044 3.023 523 HE21 GLN 67 1HE2 GLN 67 -6.957 -9.023 6.133 524 HE22 GLN 67 2HE2 GLN 67 -6.432 -10.673 6.109 525 H TRP 68 H TRP 68 -3.769 -7.331 2.461 526 HA TRP 68 HA TRP 68 -4.072 -4.906 1.060 527 HB2 TRP 68 2HB TRP 68 -2.631 -5.050 2.983 528 HB3 TRP 68 1HB TRP 68 -1.665 -6.306 2.220 529 HD1 TRP 68 HD TRP 68 0.480 -5.483 1.243 530 HE1 TRP 68 1HE TRP 68 1.401 -3.233 0.380 531 HE3 TRP 68 3HE TRP 68 -3.729 -2.657 1.745 532 HZ2 TRP 68 2HZ TRP 68 0.451 -0.609 -0.033 533 HZ3 TRP 68 3HZ TRP 68 -3.650 -0.288 1.092 534 HH2 TRP 68 HH TRP 68 -1.603 0.712 0.221 535 H VAL 69 H VAL 69 -2.309 -7.908 0.372 536 HA VAL 69 HA VAL 69 -1.178 -7.102 -2.075 537 HB VAL 69 HB VAL 69 -1.970 -9.900 -1.218 538 HG11 VAL 69 1HG1 VAL 69 -0.022 -8.998 -3.341 539 HG12 VAL 69 2HG1 VAL 69 -1.585 -9.763 -3.626 540 HG13 VAL 69 3HG1 VAL 69 -0.294 -10.665 -2.833 541 HG21 VAL 69 1HG2 VAL 69 0.387 -10.112 -0.549 542 HG22 VAL 69 2HG2 VAL 69 -0.462 -8.871 0.374 543 HG23 VAL 69 3HG2 VAL 69 0.633 -8.407 -0.929 544 H GLN 70 H GLN 70 -4.292 -8.584 -1.299 545 HA GLN 70 HA GLN 70 -5.124 -9.116 -3.914 546 HB2 GLN 70 2HB GLN 70 -6.146 -10.000 -1.812 547 HB3 GLN 70 1HB GLN 70 -6.861 -8.417 -1.550 548 HG2 GLN 70 2HG GLN 70 -8.432 -10.001 -2.514 549 HG3 GLN 70 1HG GLN 70 -8.148 -8.620 -3.574 550 HE21 GLN 70 1HE2 GLN 70 -8.829 -9.780 -5.384 551 HE22 GLN 70 2HE2 GLN 70 -7.855 -11.018 -6.099 552 H LEU 71 H LEU 71 -5.322 -6.204 -1.936 553 HA LEU 71 HA LEU 71 -7.036 -4.734 -3.634 554 HB2 LEU 71 2HB LEU 71 -4.910 -3.790 -1.711 555 HB3 LEU 71 1HB LEU 71 -6.040 -2.725 -2.519 556 HG LEU 71 HG LEU 71 -6.784 -4.897 -0.558 557 HD11 LEU 71 1HD1 LEU 71 -5.633 -3.047 0.517 558 HD12 LEU 71 2HD1 LEU 71 -7.348 -3.033 0.928 559 HD13 LEU 71 3HD1 LEU 71 -6.718 -1.898 -0.264 560 HD21 LEU 71 1HD2 LEU 71 -8.535 -4.531 -2.211 561 HD22 LEU 71 2HD2 LEU 71 -8.463 -2.792 -1.921 562 HD23 LEU 71 3HD2 LEU 71 -9.018 -3.875 -0.646 563 H PHE 72 H PHE 72 -3.527 -5.065 -3.496 564 HA PHE 72 HA PHE 72 -2.943 -3.158 -5.497 565 HB2 PHE 72 2HB PHE 72 -1.268 -3.974 -3.877 566 HB3 PHE 72 1HB PHE 72 -1.321 -5.563 -4.628 567 HD1 PHE 72 1HD PHE 72 -0.482 -2.010 -5.272 568 HD2 PHE 72 2HD PHE 72 0.043 -6.062 -6.458 569 HE1 PHE 72 1HE PHE 72 1.293 -1.321 -6.831 570 HE2 PHE 72 2HE PHE 72 1.816 -5.380 -8.019 571 HZ PHE 72 HZ PHE 72 2.443 -3.008 -8.206 572 H GLN 73 H GLN 73 -3.365 -6.683 -5.614 573 HA GLN 73 HA GLN 73 -2.829 -6.976 -8.365 574 HB2 GLN 73 2HB GLN 73 -4.559 -8.684 -6.567 575 HB3 GLN 73 1HB GLN 73 -4.004 -9.146 -8.168 576 HG2 GLN 73 2HG GLN 73 -2.299 -8.656 -5.736 577 HG3 GLN 73 1HG GLN 73 -2.635 -10.206 -6.505 578 HE21 GLN 73 1HE2 GLN 73 -1.648 -10.691 -8.477 579 HE22 GLN 73 2HE2 GLN 73 -0.267 -9.824 -9.044 580 H ARG 74 H ARG 74 -5.784 -6.287 -6.590 581 HA ARG 74 HA ARG 74 -7.583 -6.501 -8.749 582 HB2 ARG 74 2HB ARG 74 -8.350 -6.465 -6.425 583 HB3 ARG 74 1HB ARG 74 -7.755 -4.824 -6.230 584 HG2 ARG 74 2HG ARG 74 -9.403 -4.030 -7.855 585 HG3 ARG 74 1HG ARG 74 -9.990 -5.678 -8.067 586 HD2 ARG 74 2HD ARG 74 -10.739 -5.769 -5.782 587 HD3 ARG 74 1HD ARG 74 -9.989 -4.216 -5.423 588 HE ARG 74 HE ARG 74 -12.050 -4.255 -7.492 589 HH11 ARG 74 1HH1 ARG 74 -11.278 -3.565 -4.123 590 HH12 ARG 74 2HH1 ARG 74 -12.613 -2.479 -3.914 591 HH21 ARG 74 1HH2 ARG 74 -13.832 -2.837 -7.179 592 HH22 ARG 74 2HH2 ARG 74 -14.074 -2.094 -5.634 593 H PHE 75 H PHE 75 -5.553 -3.868 -7.595 594 HA PHE 75 HA PHE 75 -6.703 -1.832 -9.191 595 HB2 PHE 75 2HB PHE 75 -5.284 -1.397 -7.192 596 HB3 PHE 75 1HB PHE 75 -3.888 -1.979 -8.089 597 HD1 PHE 75 1HD PHE 75 -6.587 0.580 -8.252 598 HD2 PHE 75 2HD PHE 75 -2.587 -0.459 -9.270 599 HE1 PHE 75 1HE PHE 75 -6.217 2.858 -9.098 600 HE2 PHE 75 2HE PHE 75 -2.213 1.822 -10.121 601 HZ PHE 75 HZ PHE 75 -4.027 3.482 -10.034 602 H ARG 76 H ARG 76 -3.869 -3.911 -9.699 603 HA ARG 76 HA ARG 76 -3.183 -2.828 -12.209 604 HB2 ARG 76 2HB ARG 76 -2.490 -5.274 -10.711 605 HB3 ARG 76 1HB ARG 76 -2.292 -5.362 -12.454 606 HG2 ARG 76 2HG ARG 76 -0.881 -3.324 -12.343 607 HG3 ARG 76 1HG ARG 76 -1.000 -3.393 -10.583 608 HD2 ARG 76 2HD ARG 76 0.118 -5.477 -10.502 609 HD3 ARG 76 1HD ARG 76 -0.007 -5.687 -12.247 610 HE ARG 76 HE ARG 76 1.474 -3.514 -12.186 611 HH11 ARG 76 1HH1 ARG 76 1.709 -6.376 -10.174 612 HH12 ARG 76 2HH1 ARG 76 3.413 -6.225 -9.922 613 HH21 ARG 76 1HH2 ARG 76 3.692 -3.325 -11.929 614 HH22 ARG 76 2HH2 ARG 76 4.570 -4.486 -10.971 615 H GLU 77 H GLU 77 -5.332 -5.475 -11.309 616 HA GLU 77 HA GLU 77 -5.875 -6.420 -13.889 617 HB2 GLU 77 2HB GLU 77 -6.493 -7.690 -11.924 618 HB3 GLU 77 1HB GLU 77 -7.601 -6.427 -11.411 619 HG2 GLU 77 2HG GLU 77 -9.071 -6.877 -13.230 620 HG3 GLU 77 1HG GLU 77 -7.905 -7.973 -13.969 621 H ALA 78 H ALA 78 -7.463 -3.926 -11.951 622 HA ALA 78 HA ALA 78 -9.539 -3.320 -13.732 623 HB1 ALA 78 1HB ALA 78 -8.139 -1.523 -11.755 624 HB2 ALA 78 2HB ALA 78 -9.537 -2.549 -11.428 625 HB3 ALA 78 3HB ALA 78 -9.683 -1.181 -12.533 626 H ILE 79 H ILE 79 -6.212 -2.189 -13.548 627 HA ILE 79 HA ILE 79 -6.433 -0.156 -15.521 628 HB ILE 79 HB ILE 79 -3.990 -1.713 -14.632 629 HG12 ILE 79 2HG1 ILE 79 -4.974 1.017 -13.782 630 HG13 ILE 79 1HG1 ILE 79 -5.118 -0.452 -12.823 631 HG21 ILE 79 1HG2 ILE 79 -4.189 0.877 -16.168 632 HG22 ILE 79 2HG2 ILE 79 -3.640 -0.674 -16.803 633 HG23 ILE 79 3HG2 ILE 79 -2.699 0.153 -15.562 634 HD11 ILE 79 1HD1 ILE 79 -3.261 0.927 -12.084 635 HD12 ILE 79 2HD1 ILE 79 -2.542 0.833 -13.692 636 HD13 ILE 79 3HD1 ILE 79 -2.695 -0.622 -12.708 637 H ASP 80 H ASP 80 -5.382 -3.536 -15.601 638 HA ASP 80 HA ASP 80 -4.678 -3.626 -18.329 639 HB2 ASP 80 2HB ASP 80 -3.914 -5.343 -16.807 640 HB3 ASP 80 1HB ASP 80 -5.570 -5.828 -16.462 641 H LYS 81 H LYS 81 -7.729 -4.193 -16.669 642 HA LYS 81 HA LYS 81 -9.081 -5.006 -19.080 643 HB2 LYS 81 2HB LYS 81 -10.151 -4.245 -16.355 644 HB3 LYS 81 1HB LYS 81 -11.141 -4.857 -17.671 645 HG2 LYS 81 2HG LYS 81 -8.860 -6.361 -16.400 646 HG3 LYS 81 1HG LYS 81 -10.562 -6.571 -15.988 647 HD2 LYS 81 2HD LYS 81 -11.044 -7.291 -18.263 648 HD3 LYS 81 1HD LYS 81 -9.365 -7.010 -18.726 649 HE2 LYS 81 2HE LYS 81 -8.641 -8.720 -17.136 650 HE3 LYS 81 1HE LYS 81 -10.315 -8.995 -16.664 651 HZ1 LYS 81 1HZ LYS 81 -9.254 -9.401 -19.407 652 HZ2 LYS 81 2HZ LYS 81 -10.807 -9.790 -18.857 653 HZ3 LYS 81 3HZ LYS 81 -9.467 -10.630 -18.269 654 H GLY 82 H GLY 82 -8.135 -2.057 -17.756 655 HA2 GLY 82 2HA GLY 82 -8.475 0.102 -18.451 656 HA3 GLY 82 1HA GLY 82 -9.340 -0.551 -19.835 657 H ASP 83 H ASP 83 -10.205 -1.182 -16.514 658 HA ASP 83 HA ASP 83 -12.816 0.019 -17.041 659 HB2 ASP 83 2HB ASP 83 -12.765 -2.309 -16.228 660 HB3 ASP 83 1HB ASP 83 -11.950 -1.770 -14.762 661 H LYS 84 H LYS 84 -12.643 2.144 -16.698 662 HA LYS 84 HA LYS 84 -11.053 3.429 -14.780 663 HB2 LYS 84 2HB LYS 84 -12.232 5.427 -15.339 664 HB3 LYS 84 1HB LYS 84 -12.147 4.478 -16.815 665 HG2 LYS 84 2HG LYS 84 -14.440 3.710 -16.454 666 HG3 LYS 84 1HG LYS 84 -14.521 4.660 -14.976 667 HD2 LYS 84 2HD LYS 84 -13.960 6.664 -16.467 668 HD3 LYS 84 1HD LYS 84 -14.378 5.603 -17.816 669 HE2 LYS 84 2HE LYS 84 -16.142 6.443 -15.523 670 HE3 LYS 84 1HE LYS 84 -16.338 6.845 -17.228 671 HZ1 LYS 84 1HZ LYS 84 -16.630 4.146 -15.999 672 HZ2 LYS 84 2HZ LYS 84 -16.701 4.467 -17.655 673 HZ3 LYS 84 3HZ LYS 84 -17.863 5.122 -16.627 674 H ASP 85 H ASP 85 -14.276 2.100 -14.583 675 HA ASP 85 HA ASP 85 -15.214 3.498 -12.367 676 HB2 ASP 85 2HB ASP 85 -15.909 0.781 -13.451 677 HB3 ASP 85 1HB ASP 85 -16.758 1.511 -12.090 678 H SER 86 H SER 86 -13.501 0.409 -12.536 679 HA SER 86 HA SER 86 -13.439 0.094 -9.720 680 HB2 SER 86 2HB SER 86 -11.650 -1.109 -11.842 681 HB3 SER 86 1HB SER 86 -11.754 -1.648 -10.165 682 HG SER 86 HG SER 86 -13.730 -1.752 -12.191 683 H LEU 87 H LEU 87 -11.339 1.673 -12.064 684 HA LEU 87 HA LEU 87 -9.055 1.962 -10.444 685 HB2 LEU 87 2HB LEU 87 -10.038 3.736 -12.676 686 HB3 LEU 87 1HB LEU 87 -8.437 3.805 -11.971 687 HG LEU 87 HG LEU 87 -9.586 1.469 -13.494 688 HD11 LEU 87 1HD1 LEU 87 -7.963 2.060 -15.203 689 HD12 LEU 87 2HD1 LEU 87 -7.441 3.446 -14.248 690 HD13 LEU 87 3HD1 LEU 87 -9.072 3.399 -14.911 691 HD21 LEU 87 1HD2 LEU 87 -7.319 0.569 -13.361 692 HD22 LEU 87 2HD2 LEU 87 -8.054 0.741 -11.769 693 HD23 LEU 87 3HD2 LEU 87 -6.852 1.911 -12.317 694 H GLU 88 H GLU 88 -11.732 4.241 -11.027 695 HA GLU 88 HA GLU 88 -10.739 6.218 -9.273 696 HB2 GLU 88 2HB GLU 88 -13.410 5.713 -10.520 697 HB3 GLU 88 1HB GLU 88 -13.272 6.911 -9.245 698 HG2 GLU 88 2HG GLU 88 -13.094 8.092 -11.264 699 HG3 GLU 88 1HG GLU 88 -11.459 7.996 -10.621 700 H GLN 89 H GLN 89 -13.016 3.556 -8.759 701 HA GLN 89 HA GLN 89 -13.705 4.309 -6.129 702 HB2 GLN 89 2HB GLN 89 -15.101 2.863 -7.524 703 HB3 GLN 89 1HB GLN 89 -13.859 1.621 -7.489 704 HG2 GLN 89 2HG GLN 89 -15.698 1.170 -5.973 705 HG3 GLN 89 1HG GLN 89 -14.158 1.325 -5.130 706 HE21 GLN 89 1HE2 GLN 89 -15.087 1.834 -3.189 707 HE22 GLN 89 2HE2 GLN 89 -15.866 3.343 -2.869 708 H LEU 90 H LEU 90 -11.221 2.205 -7.481 709 HA LEU 90 HA LEU 90 -10.382 1.034 -5.082 710 HB2 LEU 90 2HB LEU 90 -9.063 1.476 -7.716 711 HB3 LEU 90 1HB LEU 90 -8.136 0.846 -6.366 712 HG LEU 90 HG LEU 90 -10.648 -0.437 -7.431 713 HD11 LEU 90 1HD1 LEU 90 -7.783 -1.215 -7.841 714 HD12 LEU 90 2HD1 LEU 90 -8.798 -0.446 -9.063 715 HD13 LEU 90 3HD1 LEU 90 -9.199 -2.059 -8.467 716 HD21 LEU 90 1HD2 LEU 90 -9.874 -2.343 -6.099 717 HD22 LEU 90 2HD2 LEU 90 -10.215 -0.935 -5.099 718 HD23 LEU 90 3HD2 LEU 90 -8.546 -1.364 -5.480 719 H LEU 91 H LEU 91 -9.513 4.091 -6.566 720 HA LEU 91 HA LEU 91 -7.305 4.692 -4.954 721 HB2 LEU 91 2HB LEU 91 -9.370 6.568 -6.112 722 HB3 LEU 91 1HB LEU 91 -7.830 7.066 -5.443 723 HG LEU 91 HG LEU 91 -8.199 5.338 -7.892 724 HD11 LEU 91 1HD1 LEU 91 -7.350 8.215 -7.613 725 HD12 LEU 91 2HD1 LEU 91 -8.881 7.639 -8.274 726 HD13 LEU 91 3HD1 LEU 91 -7.369 7.286 -9.111 727 HD21 LEU 91 1HD2 LEU 91 -5.704 6.489 -6.639 728 HD22 LEU 91 2HD2 LEU 91 -5.779 5.667 -8.197 729 HD23 LEU 91 3HD2 LEU 91 -6.143 4.782 -6.717 730 H GLU 92 H GLU 92 -10.757 5.072 -4.413 731 HA GLU 92 HA GLU 92 -10.518 6.494 -1.966 732 HB2 GLU 92 2HB GLU 92 -12.555 6.580 -3.315 733 HB3 GLU 92 1HB GLU 92 -12.809 4.860 -3.071 734 HG2 GLU 92 2HG GLU 92 -13.136 5.226 -0.694 735 HG3 GLU 92 1HG GLU 92 -12.830 6.950 -0.906 736 H GLU 93 H GLU 93 -11.038 3.062 -2.757 737 HA GLU 93 HA GLU 93 -11.233 2.182 -0.065 738 HB2 GLU 93 2HB GLU 93 -10.502 0.691 -2.584 739 HB3 GLU 93 1HB GLU 93 -10.714 -0.086 -1.024 740 HG2 GLU 93 2HG GLU 93 -13.046 0.815 -0.994 741 HG3 GLU 93 1HG GLU 93 -12.789 1.347 -2.656 742 H LEU 94 H LEU 94 -8.557 2.386 -2.331 743 HA LEU 94 HA LEU 94 -6.623 1.073 -0.790 744 HB2 LEU 94 2HB LEU 94 -6.432 1.562 -3.192 745 HB3 LEU 94 1HB LEU 94 -6.281 3.267 -2.829 746 HG LEU 94 HG LEU 94 -4.158 2.783 -1.635 747 HD11 LEU 94 1HD1 LEU 94 -4.572 0.455 -1.055 748 HD12 LEU 94 2HD1 LEU 94 -3.085 0.613 -1.988 749 HD13 LEU 94 3HD1 LEU 94 -4.552 0.014 -2.762 750 HD21 LEU 94 1HD2 LEU 94 -4.162 3.543 -3.944 751 HD22 LEU 94 2HD2 LEU 94 -4.313 1.879 -4.506 752 HD23 LEU 94 3HD2 LEU 94 -2.850 2.397 -3.667 753 H GLU 95 H GLU 95 -7.460 4.521 -1.050 754 HA GLU 95 HA GLU 95 -5.457 5.407 0.715 755 HB2 GLU 95 2HB GLU 95 -6.717 6.839 -0.915 756 HB3 GLU 95 1HB GLU 95 -8.092 6.772 0.178 757 HG2 GLU 95 2HG GLU 95 -7.015 8.034 1.808 758 HG3 GLU 95 1HG GLU 95 -5.421 7.733 1.119 759 H GLN 96 H GLN 96 -8.781 4.353 1.240 760 HA GLN 96 HA GLN 96 -8.984 4.983 3.967 761 HB2 GLN 96 2HB GLN 96 -10.226 2.767 2.336 762 HB3 GLN 96 1HB GLN 96 -10.604 3.016 4.033 763 HG2 GLN 96 2HG GLN 96 -11.480 5.218 3.543 764 HG3 GLN 96 1HG GLN 96 -11.027 5.039 1.848 765 HE21 GLN 96 1HE2 GLN 96 -13.151 5.305 1.178 766 HE22 GLN 96 2HE2 GLN 96 -14.347 4.075 1.380 767 H ALA 97 H ALA 97 -7.703 2.133 2.321 768 HA ALA 97 HA ALA 97 -7.074 0.666 4.658 769 HB1 ALA 97 1HB ALA 97 -5.696 -0.717 3.187 770 HB2 ALA 97 2HB ALA 97 -5.836 0.491 1.910 771 HB3 ALA 97 3HB ALA 97 -7.266 -0.386 2.454 772 H LEU 98 H LEU 98 -5.300 2.993 2.705 773 HA LEU 98 HA LEU 98 -2.771 2.695 3.890 774 HB2 LEU 98 2HB LEU 98 -4.092 5.031 2.536 775 HB3 LEU 98 1HB LEU 98 -2.436 5.084 3.097 776 HG LEU 98 HG LEU 98 -3.496 3.148 1.042 777 HD11 LEU 98 1HD1 LEU 98 -2.199 4.496 -0.551 778 HD12 LEU 98 2HD1 LEU 98 -1.863 5.662 0.729 779 HD13 LEU 98 3HD1 LEU 98 -3.517 5.409 0.179 780 HD21 LEU 98 1HD2 LEU 98 -1.102 2.703 0.647 781 HD22 LEU 98 2HD2 LEU 98 -1.619 2.234 2.265 782 HD23 LEU 98 3HD2 LEU 98 -0.703 3.723 2.029 783 H GLN 99 H GLN 99 -5.540 4.688 4.755 784 HA GLN 99 HA GLN 99 -4.301 6.220 6.746 785 HB2 GLN 99 2HB GLN 99 -6.478 6.756 5.734 786 HB3 GLN 99 1HB GLN 99 -7.180 5.338 6.497 787 HG2 GLN 99 2HG GLN 99 -6.677 6.307 8.692 788 HG3 GLN 99 1HG GLN 99 -6.062 7.751 7.886 789 HE21 GLN 99 1HE2 GLN 99 -7.612 9.075 8.832 790 HE22 GLN 99 2HE2 GLN 99 -9.270 9.032 8.356 791 H LYS 100 H LYS 100 -5.957 3.114 6.810 792 HA LYS 100 HA LYS 100 -5.887 2.768 9.623 793 HB2 LYS 100 2HB LYS 100 -6.109 0.726 7.415 794 HB3 LYS 100 1HB LYS 100 -6.442 0.419 9.116 795 HG2 LYS 100 2HG LYS 100 -8.278 2.027 9.040 796 HG3 LYS 100 1HG LYS 100 -7.933 2.338 7.338 797 HD2 LYS 100 2HD LYS 100 -8.381 -0.034 6.841 798 HD3 LYS 100 1HD LYS 100 -8.786 -0.296 8.538 799 HE2 LYS 100 2HE LYS 100 -10.813 -0.004 7.264 800 HE3 LYS 100 1HE LYS 100 -10.585 1.381 8.330 801 HZ1 LYS 100 1HZ LYS 100 -9.697 2.620 6.431 802 HZ2 LYS 100 2HZ LYS 100 -11.273 2.089 6.151 803 HZ3 LYS 100 3HZ LYS 100 -9.979 1.288 5.426 804 H ILE 101 H ILE 101 -3.839 1.552 6.982 805 HA ILE 101 HA ILE 101 -2.090 0.046 8.596 806 HB ILE 101 HB ILE 101 -1.574 1.349 5.910 807 HG12 ILE 101 2HG1 ILE 101 -2.333 -1.490 6.636 808 HG13 ILE 101 1HG1 ILE 101 -3.400 -0.298 5.903 809 HG21 ILE 101 1HG2 ILE 101 0.298 -0.229 5.684 810 HG22 ILE 101 2HG2 ILE 101 0.024 -0.779 7.337 811 HG23 ILE 101 3HG2 ILE 101 0.536 0.881 7.035 812 HD11 ILE 101 1HD1 ILE 101 -2.578 -1.879 4.256 813 HD12 ILE 101 2HD1 ILE 101 -0.915 -1.451 4.654 814 HD13 ILE 101 3HD1 ILE 101 -1.980 -0.256 3.916 815 H ARG 102 H ARG 102 -2.104 3.414 7.623 816 HA ARG 102 HA ARG 102 0.478 4.117 8.436 817 HB2 ARG 102 2HB ARG 102 -1.303 5.455 7.115 818 HB3 ARG 102 1HB ARG 102 -1.876 5.960 8.696 819 HG2 ARG 102 2HG ARG 102 0.319 6.918 9.186 820 HG3 ARG 102 1HG ARG 102 0.891 6.411 7.593 821 HD2 ARG 102 2HD ARG 102 -1.127 7.744 6.698 822 HD3 ARG 102 1HD ARG 102 -1.149 8.490 8.294 823 HE ARG 102 HE ARG 102 1.436 8.733 7.457 824 HH11 ARG 102 1HH1 ARG 102 -1.695 9.743 6.246 825 HH12 ARG 102 2HH1 ARG 102 -1.062 11.075 5.337 826 HH21 ARG 102 1HH2 ARG 102 2.287 10.488 6.257 827 HH22 ARG 102 2HH2 ARG 102 1.212 11.508 5.353 828 H GLU 103 H GLU 103 -2.609 4.182 10.212 829 HA GLU 103 HA GLU 103 -1.546 5.218 12.614 830 HB2 GLU 103 2HB GLU 103 -4.001 3.514 12.169 831 HB3 GLU 103 1HB GLU 103 -3.624 4.356 13.664 832 HG2 GLU 103 2HG GLU 103 -3.726 6.495 12.469 833 HG3 GLU 103 1HG GLU 103 -4.149 5.631 10.991 834 H LEU 104 H LEU 104 -2.007 1.921 11.452 835 HA LEU 104 HA LEU 104 -1.282 0.627 13.863 836 HB2 LEU 104 2HB LEU 104 -1.141 -0.371 11.019 837 HB3 LEU 104 1HB LEU 104 -0.970 -1.375 12.444 838 HG LEU 104 HG LEU 104 -3.460 0.150 11.674 839 HD11 LEU 104 1HD1 LEU 104 -2.835 -2.795 11.539 840 HD12 LEU 104 2HD1 LEU 104 -3.031 -1.705 10.166 841 HD13 LEU 104 3HD1 LEU 104 -4.404 -2.059 11.216 842 HD21 LEU 104 1HD2 LEU 104 -3.251 -0.075 14.087 843 HD22 LEU 104 2HD2 LEU 104 -2.948 -1.804 13.917 844 HD23 LEU 104 3HD2 LEU 104 -4.521 -1.138 13.479 845 H ALA 105 H ALA 105 0.585 1.595 11.008 846 HA ALA 105 HA ALA 105 3.016 0.400 11.901 847 HB1 ALA 105 1HB ALA 105 4.068 1.655 10.092 848 HB2 ALA 105 2HB ALA 105 2.598 2.607 9.885 849 HB3 ALA 105 3HB ALA 105 2.585 0.878 9.536 850 H GLU 106 H GLU 106 1.465 3.463 12.403 851 HA GLU 106 HA GLU 106 3.738 4.827 13.481 852 HB2 GLU 106 2HB GLU 106 0.782 5.357 13.475 853 HB3 GLU 106 1HB GLU 106 1.892 6.373 14.381 854 HG2 GLU 106 2HG GLU 106 2.275 5.850 11.461 855 HG3 GLU 106 1HG GLU 106 1.198 7.117 12.046 856 H LYS 107 H LYS 107 1.487 2.541 14.678 857 HA LYS 107 HA LYS 107 1.009 1.683 16.728 858 HB2 LYS 107 2HB LYS 107 3.512 1.380 16.768 859 HB3 LYS 107 1HB LYS 107 3.652 2.942 17.559 860 HG2 LYS 107 2HG LYS 107 2.350 2.068 19.463 861 HG3 LYS 107 1HG LYS 107 2.280 0.496 18.667 862 HD2 LYS 107 2HD LYS 107 4.684 0.285 18.779 863 HD3 LYS 107 1HD LYS 107 4.829 1.918 19.433 864 HE2 LYS 107 2HE LYS 107 5.038 0.263 21.206 865 HE3 LYS 107 1HE LYS 107 3.580 1.228 21.425 866 HZ1 LYS 107 1HZ LYS 107 3.136 -1.101 21.816 867 HZ2 LYS 107 2HZ LYS 107 3.706 -1.512 20.286 868 HZ3 LYS 107 3HZ LYS 107 2.300 -0.593 20.439 869 H LYS 108 H LYS 108 -0.141 4.061 16.025 870 HA LYS 108 HA LYS 108 0.171 6.105 17.946 871 HB2 LYS 108 2HB LYS 108 -0.691 6.636 15.753 872 HB3 LYS 108 1HB LYS 108 -2.071 5.577 15.997 873 HG2 LYS 108 2HG LYS 108 -2.666 7.945 16.246 874 HG3 LYS 108 1HG LYS 108 -2.930 7.041 17.737 875 HD2 LYS 108 2HD LYS 108 -0.826 7.897 18.640 876 HD3 LYS 108 1HD LYS 108 -0.522 8.763 17.134 877 HE2 LYS 108 2HE LYS 108 -1.392 10.254 18.877 878 HE3 LYS 108 1HE LYS 108 -2.496 10.143 17.510 879 HZ1 LYS 108 1HZ LYS 108 -2.817 8.545 20.003 880 HZ2 LYS 108 2HZ LYS 108 -3.937 8.739 18.746 881 HZ3 LYS 108 3HZ LYS 108 -3.560 10.040 19.744 882 H ASN 109 H ASN 109 -0.249 5.834 19.977 883 HA ASN 109 HA ASN 109 -2.390 4.166 20.911 884 HB2 ASN 109 2HB ASN 109 -0.439 4.254 22.304 885 HB3 ASN 109 1HB ASN 109 -0.459 6.013 22.328 886 HD21 ASN 109 1HD2 ASN 109 -1.957 3.115 23.538 887 HD22 ASN 109 2HD2 ASN 109 -2.812 3.866 24.836 Start of MODEL 6 1 H1 SER 1 1HT SER 1 12.158 2.804 18.748 2 H2 SER 1 2HT SER 1 11.193 4.019 18.058 3 H3 SER 1 3HT SER 1 12.581 4.434 18.927 4 HA SER 1 HA SER 1 12.946 4.641 16.568 5 HB2 SER 1 2HB SER 1 14.450 2.274 17.694 6 HB3 SER 1 1HB SER 1 15.031 3.459 16.525 7 HG SER 1 HG SER 1 15.629 3.666 18.873 8 H GLU 2 H GLU 2 11.236 1.917 17.551 9 HA GLU 2 HA GLU 2 11.664 0.241 15.295 10 HB2 GLU 2 2HB GLU 2 9.390 0.164 17.286 11 HB3 GLU 2 1HB GLU 2 9.919 -1.143 16.240 12 HG2 GLU 2 2HG GLU 2 10.807 -1.742 18.291 13 HG3 GLU 2 1HG GLU 2 12.167 -0.947 17.505 14 H PHE 3 H PHE 3 8.861 2.162 16.406 15 HA PHE 3 HA PHE 3 7.372 1.798 14.052 16 HB2 PHE 3 2HB PHE 3 6.235 2.515 16.057 17 HB3 PHE 3 1HB PHE 3 7.208 3.979 16.140 18 HD1 PHE 3 1HD PHE 3 5.127 2.290 13.527 19 HD2 PHE 3 2HD PHE 3 6.046 5.885 15.614 20 HE1 PHE 3 1HE PHE 3 3.457 3.492 12.181 21 HE2 PHE 3 2HE PHE 3 4.373 7.091 14.273 22 HZ PHE 3 HZ PHE 3 3.079 5.896 12.554 23 H GLU 4 H GLU 4 10.011 3.856 14.767 24 HA GLU 4 HA GLU 4 9.657 5.915 12.923 25 HB2 GLU 4 2HB GLU 4 11.442 5.962 14.550 26 HB3 GLU 4 1HB GLU 4 12.171 4.526 13.848 27 HG2 GLU 4 2HG GLU 4 12.462 5.873 11.738 28 HG3 GLU 4 1HG GLU 4 12.025 7.287 12.698 29 H LYS 5 H LYS 5 10.998 2.673 12.523 30 HA LYS 5 HA LYS 5 11.743 3.036 9.800 31 HB2 LYS 5 2HB LYS 5 11.161 0.439 11.233 32 HB3 LYS 5 1HB LYS 5 12.117 0.646 9.773 33 HG2 LYS 5 2HG LYS 5 12.828 1.646 12.526 34 HG3 LYS 5 1HG LYS 5 13.552 0.274 11.686 35 HD2 LYS 5 2HD LYS 5 14.367 1.798 9.935 36 HD3 LYS 5 1HD LYS 5 13.667 3.162 10.807 37 HE2 LYS 5 2HE LYS 5 15.810 1.316 11.865 38 HE3 LYS 5 1HE LYS 5 16.080 2.933 11.220 39 HZ1 LYS 5 1HZ LYS 5 14.790 3.869 12.999 40 HZ2 LYS 5 2HZ LYS 5 15.990 2.876 13.654 41 HZ3 LYS 5 3HZ LYS 5 14.392 2.327 13.592 42 H LEU 6 H LEU 6 8.951 1.664 11.457 43 HA LEU 6 HA LEU 6 7.543 0.785 9.179 44 HB2 LEU 6 2HB LEU 6 6.708 1.529 11.966 45 HB3 LEU 6 1HB LEU 6 5.508 1.149 10.756 46 HG LEU 6 HG LEU 6 5.913 -0.778 12.157 47 HD11 LEU 6 1HD1 LEU 6 5.379 -1.186 9.824 48 HD12 LEU 6 2HD1 LEU 6 6.431 -2.442 10.476 49 HD13 LEU 6 3HD1 LEU 6 7.098 -1.194 9.424 50 HD21 LEU 6 1HD2 LEU 6 8.085 -1.912 12.212 51 HD22 LEU 6 2HD2 LEU 6 8.174 -0.289 12.897 52 HD23 LEU 6 3HD2 LEU 6 8.790 -0.595 11.274 53 H ARG 7 H ARG 7 7.632 3.851 10.891 54 HA ARG 7 HA ARG 7 5.531 5.128 9.548 55 HB2 ARG 7 2HB ARG 7 6.545 6.003 11.614 56 HB3 ARG 7 1HB ARG 7 8.029 6.350 10.736 57 HG2 ARG 7 2HG ARG 7 6.639 7.853 9.246 58 HG3 ARG 7 1HG ARG 7 5.344 7.661 10.426 59 HD2 ARG 7 2HD ARG 7 8.099 8.759 10.971 60 HD3 ARG 7 1HD ARG 7 6.624 9.707 10.820 61 HE ARG 7 HE ARG 7 7.329 7.910 13.035 62 HH11 ARG 7 1HH1 ARG 7 5.166 10.313 11.655 63 HH12 ARG 7 2HH1 ARG 7 4.423 10.703 13.165 64 HH21 ARG 7 1HH2 ARG 7 6.345 8.427 15.046 65 HH22 ARG 7 2HH2 ARG 7 5.095 9.622 15.106 66 H GLN 8 H GLN 8 9.001 4.921 8.843 67 HA GLN 8 HA GLN 8 9.017 6.739 6.704 68 HB2 GLN 8 2HB GLN 8 10.781 4.346 7.230 69 HB3 GLN 8 1HB GLN 8 11.093 5.549 5.989 70 HG2 GLN 8 2HG GLN 8 11.321 7.266 7.682 71 HG3 GLN 8 1HG GLN 8 10.939 6.094 8.942 72 HE21 GLN 8 1HE2 GLN 8 12.900 6.432 9.964 73 HE22 GLN 8 2HE2 GLN 8 14.394 5.828 9.331 74 H THR 9 H THR 9 8.645 3.202 6.728 75 HA THR 9 HA THR 9 8.416 3.004 3.907 76 HB THR 9 HB THR 9 7.540 1.038 6.032 77 HG1 THR 9 1HG THR 9 9.973 1.843 5.124 78 HG21 THR 9 1HG2 THR 9 8.135 0.633 3.094 79 HG22 THR 9 2HG2 THR 9 6.532 0.599 3.827 80 HG23 THR 9 3HG2 THR 9 7.722 -0.633 4.251 81 H GLY 10 H GLY 10 6.016 3.047 6.532 82 HA2 GLY 10 2HA GLY 10 3.730 2.683 4.951 83 HA3 GLY 10 1HA GLY 10 3.771 3.506 6.506 84 H ASP 11 H ASP 11 5.517 5.580 5.821 85 HA ASP 11 HA ASP 11 3.701 7.402 4.632 86 HB2 ASP 11 2HB ASP 11 5.397 7.957 6.407 87 HB3 ASP 11 1HB ASP 11 6.639 7.850 5.164 88 H GLU 12 H GLU 12 6.571 5.683 3.459 89 HA GLU 12 HA GLU 12 6.894 7.040 1.017 90 HB2 GLU 12 2HB GLU 12 7.476 4.156 1.711 91 HB3 GLU 12 1HB GLU 12 7.972 4.925 0.212 92 HG2 GLU 12 2HG GLU 12 9.317 6.516 1.481 93 HG3 GLU 12 1HG GLU 12 8.825 5.728 2.979 94 H LEU 13 H LEU 13 4.822 4.350 1.937 95 HA LEU 13 HA LEU 13 3.814 3.712 -0.597 96 HB2 LEU 13 2HB LEU 13 2.533 3.563 2.132 97 HB3 LEU 13 1HB LEU 13 1.783 2.923 0.686 98 HG LEU 13 HG LEU 13 4.451 1.989 1.745 99 HD11 LEU 13 1HD1 LEU 13 3.249 0.025 2.555 100 HD12 LEU 13 2HD1 LEU 13 1.719 0.751 2.063 101 HD13 LEU 13 3HD1 LEU 13 2.675 1.493 3.345 102 HD21 LEU 13 1HD2 LEU 13 4.060 0.095 0.236 103 HD22 LEU 13 2HD2 LEU 13 4.135 1.621 -0.643 104 HD23 LEU 13 3HD2 LEU 13 2.576 0.858 -0.333 105 H VAL 14 H VAL 14 2.664 5.987 1.851 106 HA VAL 14 HA VAL 14 0.444 6.953 0.443 107 HB VAL 14 HB VAL 14 2.156 8.467 2.430 108 HG11 VAL 14 1HG1 VAL 14 -0.708 8.880 1.580 109 HG12 VAL 14 2HG1 VAL 14 0.658 9.922 1.184 110 HG13 VAL 14 3HG1 VAL 14 0.123 9.768 2.857 111 HG21 VAL 14 1HG2 VAL 14 1.393 6.343 3.357 112 HG22 VAL 14 2HG2 VAL 14 -0.266 6.727 2.895 113 HG23 VAL 14 3HG2 VAL 14 0.555 7.695 4.119 114 H GLN 15 H GLN 15 3.813 8.066 0.537 115 HA GLN 15 HA GLN 15 3.502 10.359 -1.059 116 HB2 GLN 15 2HB GLN 15 5.895 8.547 -0.730 117 HB3 GLN 15 1HB GLN 15 5.940 10.107 -1.528 118 HG2 GLN 15 2HG GLN 15 5.319 11.197 0.565 119 HG3 GLN 15 1HG GLN 15 5.264 9.624 1.365 120 HE21 GLN 15 1HE2 GLN 15 6.901 10.198 2.826 121 HE22 GLN 15 2HE2 GLN 15 8.552 10.327 2.323 122 H ALA 16 H ALA 16 4.380 7.035 -1.925 123 HA ALA 16 HA ALA 16 4.733 7.591 -4.678 124 HB1 ALA 16 1HB ALA 16 4.836 5.175 -4.960 125 HB2 ALA 16 2HB ALA 16 4.230 4.952 -3.319 126 HB3 ALA 16 3HB ALA 16 5.806 5.697 -3.583 127 H PHE 17 H PHE 17 2.009 6.254 -2.826 128 HA PHE 17 HA PHE 17 0.411 5.698 -5.067 129 HB2 PHE 17 2HB PHE 17 -0.208 6.064 -2.160 130 HB3 PHE 17 1HB PHE 17 -1.521 5.927 -3.326 131 HD1 PHE 17 1HD PHE 17 0.163 4.087 -1.028 132 HD2 PHE 17 2HD PHE 17 -0.857 3.925 -5.154 133 HE1 PHE 17 1HE PHE 17 0.355 1.629 -0.980 134 HE2 PHE 17 2HE PHE 17 -0.667 1.472 -5.107 135 HZ PHE 17 HZ PHE 17 -0.063 0.327 -3.018 136 H GLN 18 H GLN 18 0.735 8.665 -3.157 137 HA GLN 18 HA GLN 18 -1.383 10.065 -4.357 138 HB2 GLN 18 2HB GLN 18 1.215 11.040 -3.165 139 HB3 GLN 18 1HB GLN 18 -0.049 12.121 -3.723 140 HG2 GLN 18 2HG GLN 18 -0.311 10.070 -1.538 141 HG3 GLN 18 1HG GLN 18 -0.155 11.812 -1.321 142 HE21 GLN 18 1HE2 GLN 18 -2.274 9.969 -0.512 143 HE22 GLN 18 2HE2 GLN 18 -3.739 10.570 -1.205 144 H ARG 19 H ARG 19 2.018 9.737 -5.280 145 HA ARG 19 HA ARG 19 1.814 11.396 -7.584 146 HB2 ARG 19 2HB ARG 19 3.877 9.470 -6.583 147 HB3 ARG 19 1HB ARG 19 3.970 10.037 -8.245 148 HG2 ARG 19 2HG ARG 19 5.373 11.389 -6.797 149 HG3 ARG 19 1HG ARG 19 4.050 12.353 -7.451 150 HD2 ARG 19 2HD ARG 19 2.806 11.911 -5.321 151 HD3 ARG 19 1HD ARG 19 4.278 11.181 -4.689 152 HE ARG 19 HE ARG 19 4.650 13.840 -5.699 153 HH11 ARG 19 1HH1 ARG 19 3.704 11.924 -2.923 154 HH12 ARG 19 2HH1 ARG 19 4.042 13.170 -1.773 155 HH21 ARG 19 1HH2 ARG 19 5.099 15.515 -4.173 156 HH22 ARG 19 2HH2 ARG 19 4.852 15.215 -2.490 157 H LEU 20 H LEU 20 1.305 8.022 -6.960 158 HA LEU 20 HA LEU 20 1.239 7.027 -9.567 159 HB2 LEU 20 2HB LEU 20 1.175 5.649 -7.514 160 HB3 LEU 20 1HB LEU 20 -0.449 6.221 -7.196 161 HG LEU 20 HG LEU 20 -1.137 5.158 -9.379 162 HD11 LEU 20 1HD1 LEU 20 1.535 3.812 -9.116 163 HD12 LEU 20 2HD1 LEU 20 1.126 5.023 -10.330 164 HD13 LEU 20 3HD1 LEU 20 0.294 3.468 -10.320 165 HD21 LEU 20 1HD2 LEU 20 -0.038 3.379 -7.210 166 HD22 LEU 20 2HD2 LEU 20 -1.229 2.908 -8.422 167 HD23 LEU 20 3HD2 LEU 20 -1.629 4.141 -7.227 168 H ARG 21 H ARG 21 -1.283 8.529 -7.582 169 HA ARG 21 HA ARG 21 -3.356 8.287 -9.483 170 HB2 ARG 21 2HB ARG 21 -3.820 8.747 -7.140 171 HB3 ARG 21 1HB ARG 21 -3.006 10.295 -7.258 172 HG2 ARG 21 2HG ARG 21 -4.706 11.250 -8.525 173 HG3 ARG 21 1HG ARG 21 -5.353 9.684 -9.012 174 HD2 ARG 21 2HD ARG 21 -6.745 10.890 -7.339 175 HD3 ARG 21 1HD ARG 21 -6.222 9.287 -6.826 176 HE ARG 21 HE ARG 21 -4.524 11.455 -5.962 177 HH11 ARG 21 1HH1 ARG 21 -7.330 9.478 -5.198 178 HH12 ARG 21 2HH1 ARG 21 -7.185 9.710 -3.485 179 HH21 ARG 21 1HH2 ARG 21 -4.338 11.757 -3.688 180 HH22 ARG 21 2HH2 ARG 21 -5.483 10.999 -2.629 181 H GLU 22 H GLU 22 -0.952 10.760 -8.875 182 HA GLU 22 HA GLU 22 -1.876 12.703 -10.682 183 HB2 GLU 22 2HB GLU 22 0.959 12.058 -9.865 184 HB3 GLU 22 1HB GLU 22 0.470 13.510 -10.723 185 HG2 GLU 22 2HG GLU 22 -0.945 14.131 -8.816 186 HG3 GLU 22 1HG GLU 22 -0.379 12.698 -7.959 187 H ILE 23 H ILE 23 0.389 10.020 -11.136 188 HA ILE 23 HA ILE 23 0.865 10.494 -13.884 189 HB ILE 23 HB ILE 23 1.123 7.937 -12.281 190 HG12 ILE 23 2HG1 ILE 23 3.176 10.007 -13.097 191 HG13 ILE 23 1HG1 ILE 23 2.523 9.793 -11.478 192 HG21 ILE 23 1HG2 ILE 23 0.939 7.490 -14.689 193 HG22 ILE 23 2HG2 ILE 23 2.554 7.131 -14.076 194 HG23 ILE 23 3HG2 ILE 23 2.268 8.613 -14.987 195 HD11 ILE 23 1HD1 ILE 23 4.731 8.818 -11.669 196 HD12 ILE 23 2HD1 ILE 23 4.181 7.797 -12.999 197 HD13 ILE 23 3HD1 ILE 23 3.522 7.567 -11.380 198 H PHE 24 H PHE 24 -1.452 8.482 -12.147 199 HA PHE 24 HA PHE 24 -2.670 7.226 -14.338 200 HB2 PHE 24 2HB PHE 24 -3.116 6.456 -12.097 201 HB3 PHE 24 1HB PHE 24 -3.747 8.027 -11.627 202 HD1 PHE 24 1HD PHE 24 -4.414 5.497 -14.296 203 HD2 PHE 24 2HD PHE 24 -6.005 8.112 -11.341 204 HE1 PHE 24 1HE PHE 24 -6.687 4.738 -14.851 205 HE2 PHE 24 2HE PHE 24 -8.280 7.359 -11.891 206 HZ PHE 24 HZ PHE 24 -8.622 5.670 -13.646 207 H ASP 25 H ASP 25 -3.252 10.319 -12.785 208 HA ASP 25 HA ASP 25 -5.500 11.114 -14.274 209 HB2 ASP 25 2HB ASP 25 -4.956 12.274 -12.247 210 HB3 ASP 25 1HB ASP 25 -3.360 12.702 -12.852 211 H LYS 26 H LYS 26 -2.065 11.269 -14.931 212 HA LYS 26 HA LYS 26 -2.405 12.902 -17.287 213 HB2 LYS 26 2HB LYS 26 -0.013 11.401 -16.227 214 HB3 LYS 26 1HB LYS 26 0.013 12.446 -17.639 215 HG2 LYS 26 2HG LYS 26 -0.593 14.353 -16.256 216 HG3 LYS 26 1HG LYS 26 -0.656 13.307 -14.837 217 HD2 LYS 26 2HD LYS 26 1.460 14.532 -14.941 218 HD3 LYS 26 1HD LYS 26 1.719 12.795 -15.100 219 HE2 LYS 26 2HE LYS 26 1.984 13.003 -17.487 220 HE3 LYS 26 1HE LYS 26 1.557 14.713 -17.423 221 HZ1 LYS 26 1HZ LYS 26 3.546 15.126 -16.134 222 HZ2 LYS 26 2HZ LYS 26 3.948 14.381 -17.594 223 HZ3 LYS 26 3HZ LYS 26 3.945 13.485 -16.163 224 H GLY 27 H GLY 27 -2.565 9.590 -16.517 225 HA2 GLY 27 2HA GLY 27 -3.269 7.843 -17.849 226 HA3 GLY 27 1HA GLY 27 -3.283 8.941 -19.218 227 H ASP 28 H ASP 28 -0.404 8.614 -17.306 228 HA ASP 28 HA ASP 28 0.969 7.497 -19.614 229 HB2 ASP 28 2HB ASP 28 1.972 8.546 -16.965 230 HB3 ASP 28 1HB ASP 28 3.030 7.785 -18.146 231 H ASP 29 H ASP 29 0.299 5.413 -19.747 232 HA ASP 29 HA ASP 29 -0.068 3.607 -17.650 233 HB2 ASP 29 2HB ASP 29 0.701 2.987 -20.506 234 HB3 ASP 29 1HB ASP 29 0.022 1.842 -19.356 235 H ASP 30 H ASP 30 2.809 4.171 -19.645 236 HA ASP 30 HA ASP 30 4.329 2.028 -18.627 237 HB2 ASP 30 2HB ASP 30 6.223 2.998 -19.699 238 HB3 ASP 30 1HB ASP 30 4.842 3.397 -20.713 239 H SER 31 H SER 31 4.109 5.403 -17.624 240 HA SER 31 HA SER 31 6.056 5.173 -15.570 241 HB2 SER 31 2HB SER 31 3.865 7.231 -15.859 242 HB3 SER 31 1HB SER 31 5.357 7.395 -14.931 243 HG SER 31 HG SER 31 5.852 6.701 -17.516 244 H LEU 32 H LEU 32 2.597 4.741 -15.768 245 HA LEU 32 HA LEU 32 1.967 4.759 -13.034 246 HB2 LEU 32 2HB LEU 32 0.381 4.819 -14.997 247 HB3 LEU 32 1HB LEU 32 0.657 3.102 -15.189 248 HG LEU 32 HG LEU 32 -0.203 2.845 -12.805 249 HD11 LEU 32 1HD1 LEU 32 -1.175 5.643 -13.350 250 HD12 LEU 32 2HD1 LEU 32 0.017 5.176 -12.139 251 HD13 LEU 32 3HD1 LEU 32 -1.651 4.625 -11.991 252 HD21 LEU 32 1HD2 LEU 32 -2.069 3.862 -14.944 253 HD22 LEU 32 2HD2 LEU 32 -2.535 2.915 -13.531 254 HD23 LEU 32 3HD2 LEU 32 -1.495 2.204 -14.765 255 H GLU 33 H GLU 33 2.830 2.093 -15.231 256 HA GLU 33 HA GLU 33 2.619 0.025 -13.343 257 HB2 GLU 33 2HB GLU 33 2.659 -0.371 -15.759 258 HB3 GLU 33 1HB GLU 33 4.328 0.175 -15.829 259 HG2 GLU 33 2HG GLU 33 4.967 -1.683 -14.353 260 HG3 GLU 33 1HG GLU 33 3.298 -2.245 -14.380 261 H GLN 34 H GLN 34 5.246 2.172 -14.192 262 HA GLN 34 HA GLN 34 7.366 0.838 -12.956 263 HB2 GLN 34 2HB GLN 34 7.544 2.783 -14.527 264 HB3 GLN 34 1HB GLN 34 6.991 3.831 -13.236 265 HG2 GLN 34 2HG GLN 34 9.433 2.143 -12.866 266 HG3 GLN 34 1HG GLN 34 9.518 3.654 -13.766 267 HE21 GLN 34 1HE2 GLN 34 10.792 2.932 -11.270 268 HE22 GLN 34 2HE2 GLN 34 10.261 4.089 -10.100 269 H VAL 35 H VAL 35 5.003 3.123 -11.660 270 HA VAL 35 HA VAL 35 6.197 3.292 -9.084 271 HB VAL 35 HB VAL 35 3.335 3.872 -9.879 272 HG11 VAL 35 1HG1 VAL 35 3.558 3.582 -7.471 273 HG12 VAL 35 2HG1 VAL 35 3.299 5.284 -7.857 274 HG13 VAL 35 3HG1 VAL 35 4.913 4.710 -7.444 275 HG21 VAL 35 1HG2 VAL 35 5.740 5.679 -9.700 276 HG22 VAL 35 2HG2 VAL 35 4.083 6.221 -9.950 277 HG23 VAL 35 3HG2 VAL 35 4.875 5.216 -11.166 278 H LEU 36 H LEU 36 3.715 1.168 -10.489 279 HA LEU 36 HA LEU 36 2.891 -0.061 -8.114 280 HB2 LEU 36 2HB LEU 36 2.895 -0.859 -10.983 281 HB3 LEU 36 1HB LEU 36 2.601 -2.103 -9.788 282 HG LEU 36 HG LEU 36 0.723 -0.702 -8.910 283 HD11 LEU 36 1HD1 LEU 36 -0.209 1.019 -10.348 284 HD12 LEU 36 2HD1 LEU 36 1.183 0.874 -11.420 285 HD13 LEU 36 3HD1 LEU 36 1.399 1.448 -9.767 286 HD21 LEU 36 1HD2 LEU 36 0.521 -1.569 -11.786 287 HD22 LEU 36 2HD2 LEU 36 -0.828 -1.336 -10.674 288 HD23 LEU 36 3HD2 LEU 36 0.352 -2.614 -10.376 289 H GLU 37 H GLU 37 5.641 -0.682 -10.207 290 HA GLU 37 HA GLU 37 6.540 -3.018 -8.902 291 HB2 GLU 37 2HB GLU 37 8.069 -0.932 -10.464 292 HB3 GLU 37 1HB GLU 37 8.729 -2.483 -9.960 293 HG2 GLU 37 2HG GLU 37 7.069 -3.643 -11.311 294 HG3 GLU 37 1HG GLU 37 6.379 -2.097 -11.801 295 H GLU 38 H GLU 38 7.189 0.410 -8.431 296 HA GLU 38 HA GLU 38 9.108 0.175 -6.383 297 HB2 GLU 38 2HB GLU 38 7.112 2.380 -6.922 298 HB3 GLU 38 1HB GLU 38 8.501 2.528 -5.862 299 HG2 GLU 38 2HG GLU 38 8.616 1.974 -8.812 300 HG3 GLU 38 1HG GLU 38 8.862 3.546 -8.055 301 H ILE 39 H ILE 39 5.604 0.491 -6.337 302 HA ILE 39 HA ILE 39 5.198 0.595 -3.572 303 HB ILE 39 HB ILE 39 3.446 -0.529 -5.768 304 HG12 ILE 39 2HG1 ILE 39 3.906 1.875 -5.941 305 HG13 ILE 39 1HG1 ILE 39 2.214 1.575 -5.558 306 HG21 ILE 39 1HG2 ILE 39 2.807 -1.546 -3.659 307 HG22 ILE 39 2HG2 ILE 39 1.576 -0.406 -4.201 308 HG23 ILE 39 3HG2 ILE 39 2.689 0.045 -2.909 309 HD11 ILE 39 1HD1 ILE 39 3.024 3.438 -4.281 310 HD12 ILE 39 2HD1 ILE 39 4.361 2.477 -3.654 311 HD13 ILE 39 3HD1 ILE 39 2.704 2.087 -3.193 312 H GLU 40 H GLU 40 5.602 -2.111 -5.773 313 HA GLU 40 HA GLU 40 4.851 -4.191 -4.053 314 HB2 GLU 40 2HB GLU 40 5.231 -4.356 -6.523 315 HB3 GLU 40 1HB GLU 40 6.959 -4.299 -6.213 316 HG2 GLU 40 2HG GLU 40 6.788 -6.360 -4.910 317 HG3 GLU 40 1HG GLU 40 5.057 -6.418 -5.246 318 H GLU 41 H GLU 41 7.974 -2.613 -4.572 319 HA GLU 41 HA GLU 41 9.451 -4.273 -2.832 320 HB2 GLU 41 2HB GLU 41 9.981 -1.421 -3.654 321 HB3 GLU 41 1HB GLU 41 11.149 -2.541 -2.976 322 HG2 GLU 41 2HG GLU 41 10.963 -3.958 -4.940 323 HG3 GLU 41 1HG GLU 41 9.747 -2.874 -5.615 324 H LEU 42 H LEU 42 7.721 -1.222 -2.420 325 HA LEU 42 HA LEU 42 8.562 -0.684 0.219 326 HB2 LEU 42 2HB LEU 42 6.012 0.146 -1.158 327 HB3 LEU 42 1HB LEU 42 6.641 0.844 0.320 328 HG LEU 42 HG LEU 42 7.954 0.991 -2.392 329 HD11 LEU 42 1HD1 LEU 42 6.535 3.095 -0.767 330 HD12 LEU 42 2HD1 LEU 42 5.945 2.353 -2.252 331 HD13 LEU 42 3HD1 LEU 42 7.388 3.366 -2.287 332 HD21 LEU 42 1HD2 LEU 42 9.615 0.963 -0.628 333 HD22 LEU 42 2HD2 LEU 42 8.738 2.214 0.253 334 HD23 LEU 42 3HD2 LEU 42 9.483 2.589 -1.302 335 H ILE 43 H ILE 43 5.789 -2.453 -1.062 336 HA ILE 43 HA ILE 43 4.450 -2.924 1.362 337 HB ILE 43 HB ILE 43 4.576 -4.667 -1.118 338 HG12 ILE 43 2HG1 ILE 43 2.435 -2.723 -0.230 339 HG13 ILE 43 1HG1 ILE 43 3.696 -2.331 -1.392 340 HG21 ILE 43 1HG2 ILE 43 2.629 -4.763 1.188 341 HG22 ILE 43 2HG2 ILE 43 3.845 -5.980 0.802 342 HG23 ILE 43 3HG2 ILE 43 2.499 -5.696 -0.303 343 HD11 ILE 43 1HD1 ILE 43 2.852 -4.019 -2.910 344 HD12 ILE 43 2HD1 ILE 43 1.571 -2.890 -2.463 345 HD13 ILE 43 3HD1 ILE 43 1.631 -4.493 -1.730 346 H GLN 44 H GLN 44 7.022 -4.706 -0.260 347 HA GLN 44 HA GLN 44 7.174 -6.854 1.552 348 HB2 GLN 44 2HB GLN 44 9.215 -5.667 -0.317 349 HB3 GLN 44 1HB GLN 44 9.493 -7.131 0.615 350 HG2 GLN 44 2HG GLN 44 7.746 -8.278 -0.527 351 HG3 GLN 44 1HG GLN 44 7.218 -6.793 -1.318 352 HE21 GLN 44 1HE2 GLN 44 8.370 -5.996 -3.021 353 HE22 GLN 44 2HE2 GLN 44 9.582 -6.911 -3.852 354 H LYS 45 H LYS 45 8.689 -3.674 1.505 355 HA LYS 45 HA LYS 45 10.538 -4.063 3.586 356 HB2 LYS 45 2HB LYS 45 9.084 -1.548 2.748 357 HB3 LYS 45 1HB LYS 45 10.437 -1.586 3.868 358 HG2 LYS 45 2HG LYS 45 11.909 -2.370 2.140 359 HG3 LYS 45 1HG LYS 45 10.560 -2.531 1.014 360 HD2 LYS 45 2HD LYS 45 11.749 -0.501 0.514 361 HD3 LYS 45 1HD LYS 45 10.180 -0.081 1.197 362 HE2 LYS 45 2HE LYS 45 11.239 0.301 3.377 363 HE3 LYS 45 1HE LYS 45 12.807 -0.111 2.684 364 HZ1 LYS 45 1HZ LYS 45 12.423 1.771 1.092 365 HZ2 LYS 45 2HZ LYS 45 12.664 2.220 2.699 366 HZ3 LYS 45 3HZ LYS 45 11.105 2.247 2.053 367 H HIS 46 H HIS 46 7.175 -2.948 3.633 368 HA HIS 46 HA HIS 46 6.998 -2.445 6.389 369 HB2 HIS 46 2HB HIS 46 5.293 -1.690 4.765 370 HB3 HIS 46 1HB HIS 46 4.799 -3.359 4.513 371 HD1 HIS 46 1HD HIS 46 3.018 -4.253 6.096 372 HD2 HIS 46 2HD HIS 46 4.746 -0.720 7.433 373 HE1 HIS 46 1HE HIS 46 1.703 -3.550 8.132 374 H ARG 47 H ARG 47 6.426 -5.382 4.518 375 HA ARG 47 HA ARG 47 5.541 -6.952 6.704 376 HB2 ARG 47 2HB ARG 47 6.774 -7.803 4.078 377 HB3 ARG 47 1HB ARG 47 6.001 -8.891 5.222 378 HG2 ARG 47 2HG ARG 47 4.660 -6.616 3.769 379 HG3 ARG 47 1HG ARG 47 4.507 -8.332 3.382 380 HD2 ARG 47 2HD ARG 47 3.446 -8.770 5.490 381 HD3 ARG 47 1HD ARG 47 3.747 -7.123 6.037 382 HE ARG 47 HE ARG 47 2.148 -7.373 3.641 383 HH11 ARG 47 1HH1 ARG 47 2.130 -7.154 7.144 384 HH12 ARG 47 2HH1 ARG 47 0.539 -6.476 7.233 385 HH21 ARG 47 1HH2 ARG 47 0.032 -6.507 3.739 386 HH22 ARG 47 2HH2 ARG 47 -0.672 -6.117 5.274 387 H GLN 48 H GLN 48 8.709 -6.356 5.284 388 HA GLN 48 HA GLN 48 10.159 -8.241 6.778 389 HB2 GLN 48 2HB GLN 48 10.967 -7.002 4.755 390 HB3 GLN 48 1HB GLN 48 11.112 -5.563 5.752 391 HG2 GLN 48 2HG GLN 48 13.255 -6.509 5.554 392 HG3 GLN 48 1HG GLN 48 12.703 -6.826 7.199 393 HE21 GLN 48 1HE2 GLN 48 14.019 -8.587 7.506 394 HE22 GLN 48 2HE2 GLN 48 13.793 -10.089 6.678 395 H LEU 49 H LEU 49 9.257 -4.886 7.388 396 HA LEU 49 HA LEU 49 10.718 -4.598 9.799 397 HB2 LEU 49 2HB LEU 49 8.303 -3.113 8.782 398 HB3 LEU 49 1HB LEU 49 9.257 -2.629 10.170 399 HG LEU 49 HG LEU 49 10.319 -2.827 7.354 400 HD11 LEU 49 1HD1 LEU 49 9.503 -0.412 8.953 401 HD12 LEU 49 2HD1 LEU 49 8.662 -1.061 7.545 402 HD13 LEU 49 3HD1 LEU 49 10.285 -0.392 7.372 403 HD21 LEU 49 1HD2 LEU 49 12.044 -3.156 9.024 404 HD22 LEU 49 2HD2 LEU 49 11.514 -1.715 9.889 405 HD23 LEU 49 3HD2 LEU 49 12.220 -1.566 8.281 406 H PHE 50 H PHE 50 7.412 -5.604 9.081 407 HA PHE 50 HA PHE 50 6.569 -5.799 11.784 408 HB2 PHE 50 2HB PHE 50 5.033 -5.775 9.786 409 HB3 PHE 50 1HB PHE 50 5.562 -7.414 9.424 410 HD1 PHE 50 1HD PHE 50 3.708 -5.314 11.806 411 HD2 PHE 50 2HD PHE 50 4.723 -9.285 10.657 412 HE1 PHE 50 1HE PHE 50 1.963 -6.188 13.301 413 HE2 PHE 50 2HE PHE 50 2.978 -10.166 12.151 414 HZ PHE 50 HZ PHE 50 1.596 -8.617 13.474 415 H ASP 51 H ASP 51 8.083 -7.999 9.512 416 HA ASP 51 HA ASP 51 8.123 -10.310 11.119 417 HB2 ASP 51 2HB ASP 51 8.540 -10.540 8.780 418 HB3 ASP 51 1HB ASP 51 9.860 -9.378 8.833 419 H ASN 52 H ASN 52 10.250 -7.536 10.874 420 HA ASN 52 HA ASN 52 12.378 -8.467 12.454 421 HB2 ASN 52 2HB ASN 52 12.607 -6.436 11.141 422 HB3 ASN 52 1HB ASN 52 11.325 -5.654 12.058 423 HD21 ASN 52 1HD2 ASN 52 14.619 -6.766 12.117 424 HD22 ASN 52 2HD2 ASN 52 15.112 -5.857 13.501 425 H ARG 53 H ARG 53 9.311 -6.978 13.300 426 HA ARG 53 HA ARG 53 9.878 -6.828 16.107 427 HB2 ARG 53 2HB ARG 53 7.309 -6.661 14.527 428 HB3 ARG 53 1HB ARG 53 7.375 -6.489 16.275 429 HG2 ARG 53 2HG ARG 53 8.676 -4.500 16.106 430 HG3 ARG 53 1HG ARG 53 8.906 -4.734 14.373 431 HD2 ARG 53 2HD ARG 53 7.177 -3.020 15.000 432 HD3 ARG 53 1HD ARG 53 6.616 -4.294 13.919 433 HE ARG 53 HE ARG 53 6.043 -5.118 16.512 434 HH11 ARG 53 1HH1 ARG 53 5.121 -2.446 14.430 435 HH12 ARG 53 2HH1 ARG 53 3.530 -2.322 15.082 436 HH21 ARG 53 1HH2 ARG 53 3.940 -4.984 17.353 437 HH22 ARG 53 2HH2 ARG 53 2.843 -3.766 16.753 438 H GLN 54 H GLN 54 8.205 -9.037 13.959 439 HA GLN 54 HA GLN 54 7.169 -11.045 14.265 440 HB2 GLN 54 2HB GLN 54 9.594 -11.542 14.001 441 HB3 GLN 54 1HB GLN 54 9.721 -11.648 15.751 442 HG2 GLN 54 2HG GLN 54 9.515 -13.843 14.599 443 HG3 GLN 54 1HG GLN 54 8.276 -13.542 15.819 444 HE21 GLN 54 1HE2 GLN 54 8.944 -13.756 12.412 445 HE22 GLN 54 2HE2 GLN 54 7.300 -13.896 11.891 446 H GLU 55 H GLU 55 5.447 -10.437 15.603 447 HA GLU 55 HA GLU 55 5.824 -11.156 18.416 448 HB2 GLU 55 2HB GLU 55 3.806 -9.309 17.152 449 HB3 GLU 55 1HB GLU 55 3.805 -9.765 18.851 450 HG2 GLU 55 2HG GLU 55 6.121 -8.841 19.019 451 HG3 GLU 55 1HG GLU 55 5.932 -8.234 17.377 452 H ALA 56 H ALA 56 5.256 -12.897 16.083 453 HA ALA 56 HA ALA 56 4.174 -14.840 15.698 454 HB1 ALA 56 1HB ALA 56 4.679 -15.258 18.053 455 HB2 ALA 56 2HB ALA 56 3.168 -16.017 17.555 456 HB3 ALA 56 3HB ALA 56 3.137 -14.534 18.507 457 H ALA 57 H ALA 57 2.657 -12.095 15.551 458 HA ALA 57 HA ALA 57 -0.091 -12.968 15.626 459 HB1 ALA 57 1HB ALA 57 -0.616 -10.729 14.791 460 HB2 ALA 57 2HB ALA 57 1.099 -10.419 14.521 461 HB3 ALA 57 3HB ALA 57 0.490 -10.642 16.160 462 H ASP 58 H ASP 58 0.605 -14.811 14.189 463 HA ASP 58 HA ASP 58 1.234 -14.333 11.458 464 HB2 ASP 58 2HB ASP 58 1.860 -16.414 12.592 465 HB3 ASP 58 1HB ASP 58 0.160 -16.828 12.780 466 H THR 59 H THR 59 -1.754 -15.126 13.164 467 HA THR 59 HA THR 59 -3.336 -15.430 10.853 468 HB THR 59 HB THR 59 -5.250 -14.937 12.516 469 HG1 THR 59 1HG THR 59 -3.995 -15.515 14.712 470 HG21 THR 59 1HG2 THR 59 -4.607 -17.193 11.838 471 HG22 THR 59 2HG2 THR 59 -4.980 -17.152 13.563 472 HG23 THR 59 3HG2 THR 59 -3.303 -17.189 13.024 473 H GLU 60 H GLU 60 -2.702 -12.643 12.938 474 HA GLU 60 HA GLU 60 -4.499 -10.905 11.600 475 HB2 GLU 60 2HB GLU 60 -3.712 -10.464 13.882 476 HB3 GLU 60 1HB GLU 60 -2.074 -10.253 13.285 477 HG2 GLU 60 2HG GLU 60 -2.692 -8.266 12.110 478 HG3 GLU 60 1HG GLU 60 -4.397 -8.525 12.472 479 H ALA 61 H ALA 61 -1.046 -11.563 11.261 480 HA ALA 61 HA ALA 61 -0.504 -9.564 9.346 481 HB1 ALA 61 1HB ALA 61 0.924 -12.178 9.814 482 HB2 ALA 61 2HB ALA 61 1.254 -10.655 10.641 483 HB3 ALA 61 3HB ALA 61 1.554 -10.804 8.909 484 H ALA 62 H ALA 62 -1.384 -12.984 9.019 485 HA ALA 62 HA ALA 62 -1.150 -13.056 6.199 486 HB1 ALA 62 1HB ALA 62 -2.336 -15.172 6.329 487 HB2 ALA 62 2HB ALA 62 -2.805 -14.825 7.993 488 HB3 ALA 62 3HB ALA 62 -1.106 -15.074 7.590 489 H LYS 63 H LYS 63 -3.844 -12.390 8.376 490 HA LYS 63 HA LYS 63 -5.890 -12.427 6.446 491 HB2 LYS 63 2HB LYS 63 -6.227 -12.484 8.902 492 HB3 LYS 63 1HB LYS 63 -5.751 -10.796 8.981 493 HG2 LYS 63 2HG LYS 63 -7.677 -10.193 7.600 494 HG3 LYS 63 1HG LYS 63 -8.154 -11.892 7.534 495 HD2 LYS 63 2HD LYS 63 -8.285 -11.882 10.022 496 HD3 LYS 63 1HD LYS 63 -7.971 -10.149 9.985 497 HE2 LYS 63 2HE LYS 63 -9.994 -9.793 8.679 498 HE3 LYS 63 1HE LYS 63 -10.297 -11.531 8.657 499 HZ1 LYS 63 1HZ LYS 63 -11.619 -10.440 10.340 500 HZ2 LYS 63 2HZ LYS 63 -10.231 -9.812 11.074 501 HZ3 LYS 63 3HZ LYS 63 -10.499 -11.480 11.067 502 H GLN 64 H GLN 64 -3.904 -9.760 7.689 503 HA GLN 64 HA GLN 64 -5.167 -7.819 6.006 504 HB2 GLN 64 2HB GLN 64 -3.421 -6.281 6.785 505 HB3 GLN 64 1HB GLN 64 -4.171 -7.137 8.126 506 HG2 GLN 64 2HG GLN 64 -2.270 -8.632 8.265 507 HG3 GLN 64 1HG GLN 64 -1.530 -7.846 6.873 508 HE21 GLN 64 1HE2 GLN 64 -2.313 -7.587 10.225 509 HE22 GLN 64 2HE2 GLN 64 -1.311 -6.223 10.570 510 H GLY 65 H GLY 65 -2.244 -9.772 5.827 511 HA2 GLY 65 2HA GLY 65 -1.098 -8.416 3.618 512 HA3 GLY 65 1HA GLY 65 -0.681 -10.029 4.176 513 H ASP 66 H ASP 66 -3.051 -11.369 3.850 514 HA ASP 66 HA ASP 66 -2.943 -12.008 1.109 515 HB2 ASP 66 2HB ASP 66 -3.585 -13.651 2.775 516 HB3 ASP 66 1HB ASP 66 -5.008 -12.706 3.198 517 H GLN 67 H GLN 67 -5.267 -10.123 2.994 518 HA GLN 67 HA GLN 67 -7.069 -9.699 0.847 519 HB2 GLN 67 2HB GLN 67 -7.687 -9.426 3.233 520 HB3 GLN 67 1HB GLN 67 -6.653 -8.009 3.322 521 HG2 GLN 67 2HG GLN 67 -8.953 -7.333 3.088 522 HG3 GLN 67 1HG GLN 67 -8.055 -6.899 1.635 523 HE21 GLN 67 1HE2 GLN 67 -10.492 -8.956 2.988 524 HE22 GLN 67 2HE2 GLN 67 -11.116 -9.548 1.489 525 H TRP 68 H TRP 68 -4.236 -7.966 2.033 526 HA TRP 68 HA TRP 68 -4.596 -5.656 0.472 527 HB2 TRP 68 2HB TRP 68 -3.152 -5.705 2.441 528 HB3 TRP 68 1HB TRP 68 -2.098 -6.875 1.659 529 HD1 TRP 68 HD TRP 68 -0.257 -5.979 0.150 530 HE1 TRP 68 1HE TRP 68 0.533 -3.619 -0.554 531 HE3 TRP 68 3HE TRP 68 -4.189 -3.266 1.914 532 HZ2 TRP 68 2HZ TRP 68 -0.405 -0.965 -0.378 533 HZ3 TRP 68 3HZ TRP 68 -4.176 -0.823 1.611 534 HH2 TRP 68 HH TRP 68 -2.323 0.299 0.489 535 H VAL 69 H VAL 69 -2.883 -8.715 -0.051 536 HA VAL 69 HA VAL 69 -1.729 -8.036 -2.534 537 HB VAL 69 HB VAL 69 -2.550 -10.768 -1.494 538 HG11 VAL 69 1HG1 VAL 69 -0.729 -10.053 -3.795 539 HG12 VAL 69 2HG1 VAL 69 -2.321 -10.799 -3.923 540 HG13 VAL 69 3HG1 VAL 69 -0.996 -11.678 -3.161 541 HG21 VAL 69 1HG2 VAL 69 -0.900 -9.659 -0.084 542 HG22 VAL 69 2HG2 VAL 69 0.122 -9.362 -1.491 543 HG23 VAL 69 3HG2 VAL 69 -0.170 -11.013 -0.946 544 H GLN 70 H GLN 70 -4.830 -9.527 -1.681 545 HA GLN 70 HA GLN 70 -5.749 -9.936 -4.311 546 HB2 GLN 70 2HB GLN 70 -7.210 -9.547 -1.705 547 HB3 GLN 70 1HB GLN 70 -8.046 -9.868 -3.218 548 HG2 GLN 70 2HG GLN 70 -5.954 -11.660 -2.011 549 HG3 GLN 70 1HG GLN 70 -7.696 -11.872 -1.825 550 HE21 GLN 70 1HE2 GLN 70 -8.909 -12.543 -3.569 551 HE22 GLN 70 2HE2 GLN 70 -8.204 -13.228 -4.988 552 H LEU 71 H LEU 71 -6.010 -7.168 -2.123 553 HA LEU 71 HA LEU 71 -7.686 -5.598 -3.706 554 HB2 LEU 71 2HB LEU 71 -7.325 -5.083 -1.396 555 HB3 LEU 71 1HB LEU 71 -5.597 -4.932 -1.640 556 HG LEU 71 HG LEU 71 -6.032 -2.978 -3.071 557 HD11 LEU 71 1HD1 LEU 71 -8.220 -1.857 -2.898 558 HD12 LEU 71 2HD1 LEU 71 -8.846 -3.251 -2.019 559 HD13 LEU 71 3HD1 LEU 71 -8.334 -3.424 -3.698 560 HD21 LEU 71 1HD2 LEU 71 -7.020 -2.812 -0.229 561 HD22 LEU 71 2HD2 LEU 71 -6.493 -1.441 -1.204 562 HD23 LEU 71 3HD2 LEU 71 -5.342 -2.703 -0.764 563 H PHE 72 H PHE 72 -4.156 -5.846 -3.484 564 HA PHE 72 HA PHE 72 -3.567 -3.865 -5.403 565 HB2 PHE 72 2HB PHE 72 -1.929 -4.763 -3.753 566 HB3 PHE 72 1HB PHE 72 -1.901 -6.279 -4.645 567 HD1 PHE 72 1HD PHE 72 -1.108 -2.673 -4.868 568 HD2 PHE 72 2HD PHE 72 -0.522 -6.544 -6.539 569 HE1 PHE 72 1HE PHE 72 0.689 -1.782 -6.293 570 HE2 PHE 72 2HE PHE 72 1.275 -5.659 -7.968 571 HZ PHE 72 HZ PHE 72 1.882 -3.274 -7.846 572 H GLN 73 H GLN 73 -4.115 -7.348 -5.653 573 HA GLN 73 HA GLN 73 -3.436 -7.628 -8.365 574 HB2 GLN 73 2HB GLN 73 -3.698 -9.544 -6.829 575 HB3 GLN 73 1HB GLN 73 -5.420 -9.230 -6.724 576 HG2 GLN 73 2HG GLN 73 -4.149 -9.787 -9.377 577 HG3 GLN 73 1HG GLN 73 -4.541 -11.107 -8.281 578 HE21 GLN 73 1HE2 GLN 73 -5.620 -10.388 -10.925 579 HE22 GLN 73 2HE2 GLN 73 -7.326 -10.233 -10.707 580 H ARG 74 H ARG 74 -6.537 -6.952 -6.787 581 HA ARG 74 HA ARG 74 -8.100 -6.839 -9.126 582 HB2 ARG 74 2HB ARG 74 -8.439 -5.456 -6.464 583 HB3 ARG 74 1HB ARG 74 -9.656 -5.452 -7.731 584 HG2 ARG 74 2HG ARG 74 -9.927 -7.823 -7.568 585 HG3 ARG 74 1HG ARG 74 -8.565 -7.946 -6.452 586 HD2 ARG 74 2HD ARG 74 -10.706 -8.067 -5.278 587 HD3 ARG 74 1HD ARG 74 -9.784 -6.643 -4.800 588 HE ARG 74 HE ARG 74 -11.471 -5.878 -6.876 589 HH11 ARG 74 1HH1 ARG 74 -11.752 -7.052 -3.583 590 HH12 ARG 74 2HH1 ARG 74 -13.246 -6.239 -3.274 591 HH21 ARG 74 1HH2 ARG 74 -13.446 -4.792 -6.482 592 HH22 ARG 74 2HH2 ARG 74 -14.222 -4.947 -4.945 593 H PHE 75 H PHE 75 -6.242 -4.400 -7.410 594 HA PHE 75 HA PHE 75 -6.989 -2.175 -8.962 595 HB2 PHE 75 2HB PHE 75 -5.836 -2.057 -6.759 596 HB3 PHE 75 1HB PHE 75 -4.378 -2.686 -7.511 597 HD1 PHE 75 1HD PHE 75 -6.768 0.150 -7.651 598 HD2 PHE 75 2HD PHE 75 -2.821 -1.231 -8.432 599 HE1 PHE 75 1HE PHE 75 -6.072 2.449 -8.174 600 HE2 PHE 75 2HE PHE 75 -2.118 1.064 -8.959 601 HZ PHE 75 HZ PHE 75 -3.743 2.909 -8.830 602 H ARG 76 H ARG 76 -4.319 -4.474 -9.226 603 HA ARG 76 HA ARG 76 -3.045 -3.377 -11.486 604 HB2 ARG 76 2HB ARG 76 -2.660 -5.544 -9.781 605 HB3 ARG 76 1HB ARG 76 -2.948 -6.290 -11.345 606 HG2 ARG 76 2HG ARG 76 -0.852 -4.213 -10.755 607 HG3 ARG 76 1HG ARG 76 -0.573 -5.947 -10.903 608 HD2 ARG 76 2HD ARG 76 -1.371 -5.854 -13.230 609 HD3 ARG 76 1HD ARG 76 -1.599 -4.113 -13.068 610 HE ARG 76 HE ARG 76 1.048 -4.827 -12.377 611 HH11 ARG 76 1HH1 ARG 76 -1.026 -4.467 -15.184 612 HH12 ARG 76 2HH1 ARG 76 0.282 -4.101 -16.252 613 HH21 ARG 76 1HH2 ARG 76 2.756 -4.344 -13.774 614 HH22 ARG 76 2HH2 ARG 76 2.460 -4.017 -15.453 615 H GLU 77 H GLU 77 -5.571 -5.801 -11.121 616 HA GLU 77 HA GLU 77 -5.875 -6.590 -13.788 617 HB2 GLU 77 2HB GLU 77 -6.814 -7.734 -11.787 618 HB3 GLU 77 1HB GLU 77 -7.975 -6.428 -11.621 619 HG2 GLU 77 2HG GLU 77 -9.093 -8.209 -12.652 620 HG3 GLU 77 1HG GLU 77 -8.801 -7.010 -13.910 621 H ALA 78 H ALA 78 -7.537 -4.092 -11.897 622 HA ALA 78 HA ALA 78 -9.316 -3.261 -13.899 623 HB1 ALA 78 1HB ALA 78 -9.630 -1.266 -12.528 624 HB2 ALA 78 2HB ALA 78 -8.205 -1.696 -11.581 625 HB3 ALA 78 3HB ALA 78 -9.630 -2.732 -11.548 626 H ILE 79 H ILE 79 -6.029 -2.253 -13.129 627 HA ILE 79 HA ILE 79 -5.905 -0.029 -14.870 628 HB ILE 79 HB ILE 79 -3.706 -1.840 -13.849 629 HG12 ILE 79 2HG1 ILE 79 -4.560 0.942 -13.025 630 HG13 ILE 79 1HG1 ILE 79 -4.885 -0.540 -12.131 631 HG21 ILE 79 1HG2 ILE 79 -2.122 -0.098 -14.553 632 HG22 ILE 79 2HG2 ILE 79 -3.442 0.781 -15.323 633 HG23 ILE 79 3HG2 ILE 79 -2.973 -0.808 -15.926 634 HD11 ILE 79 1HD1 ILE 79 -2.171 0.630 -12.689 635 HD12 ILE 79 2HD1 ILE 79 -2.492 -0.861 -11.804 636 HD13 ILE 79 3HD1 ILE 79 -3.040 0.685 -11.156 637 H ASP 80 H ASP 80 -5.209 -3.458 -15.321 638 HA ASP 80 HA ASP 80 -4.125 -3.228 -17.924 639 HB2 ASP 80 2HB ASP 80 -3.817 -5.203 -16.434 640 HB3 ASP 80 1HB ASP 80 -5.503 -5.628 -16.704 641 H LYS 81 H LYS 81 -7.394 -3.663 -16.715 642 HA LYS 81 HA LYS 81 -8.508 -4.007 -19.357 643 HB2 LYS 81 2HB LYS 81 -9.847 -3.521 -16.694 644 HB3 LYS 81 1HB LYS 81 -10.692 -3.885 -18.190 645 HG2 LYS 81 2HG LYS 81 -9.571 -6.059 -18.286 646 HG3 LYS 81 1HG LYS 81 -8.749 -5.689 -16.768 647 HD2 LYS 81 2HD LYS 81 -10.924 -5.498 -15.649 648 HD3 LYS 81 1HD LYS 81 -11.733 -5.891 -17.167 649 HE2 LYS 81 2HE LYS 81 -10.620 -8.068 -17.195 650 HE3 LYS 81 1HE LYS 81 -9.806 -7.675 -15.681 651 HZ1 LYS 81 1HZ LYS 81 -11.697 -9.016 -15.201 652 HZ2 LYS 81 2HZ LYS 81 -12.719 -8.025 -16.104 653 HZ3 LYS 81 3HZ LYS 81 -12.043 -7.449 -14.668 654 H GLY 82 H GLY 82 -7.502 -1.384 -17.501 655 HA2 GLY 82 2HA GLY 82 -7.585 0.873 -17.914 656 HA3 GLY 82 1HA GLY 82 -8.397 0.506 -19.430 657 H ASP 83 H ASP 83 -9.571 -0.529 -16.304 658 HA ASP 83 HA ASP 83 -11.995 1.045 -16.777 659 HB2 ASP 83 2HB ASP 83 -12.258 -1.387 -16.372 660 HB3 ASP 83 1HB ASP 83 -11.523 -1.184 -14.785 661 H LYS 84 H LYS 84 -11.554 3.057 -16.055 662 HA LYS 84 HA LYS 84 -10.065 3.562 -13.684 663 HB2 LYS 84 2HB LYS 84 -10.557 5.891 -14.023 664 HB3 LYS 84 1HB LYS 84 -10.213 5.170 -15.588 665 HG2 LYS 84 2HG LYS 84 -12.567 5.130 -16.124 666 HG3 LYS 84 1HG LYS 84 -12.972 5.720 -14.511 667 HD2 LYS 84 2HD LYS 84 -11.663 7.775 -14.997 668 HD3 LYS 84 1HD LYS 84 -11.420 7.186 -16.640 669 HE2 LYS 84 2HE LYS 84 -13.261 8.796 -16.530 670 HE3 LYS 84 1HE LYS 84 -13.827 7.201 -17.021 671 HZ1 LYS 84 1HZ LYS 84 -13.995 8.226 -14.233 672 HZ2 LYS 84 2HZ LYS 84 -14.711 6.819 -14.858 673 HZ3 LYS 84 3HZ LYS 84 -15.252 8.331 -15.357 674 H ASP 85 H ASP 85 -13.393 2.937 -14.309 675 HA ASP 85 HA ASP 85 -14.587 4.274 -12.165 676 HB2 ASP 85 2HB ASP 85 -15.933 3.326 -13.935 677 HB3 ASP 85 1HB ASP 85 -15.401 1.700 -13.521 678 H SER 86 H SER 86 -13.302 0.949 -12.304 679 HA SER 86 HA SER 86 -13.842 0.456 -9.552 680 HB2 SER 86 2HB SER 86 -12.191 -1.474 -9.907 681 HB3 SER 86 1HB SER 86 -13.647 -1.480 -10.900 682 HG SER 86 HG SER 86 -12.430 -0.614 -12.606 683 H LEU 87 H LEU 87 -11.042 1.597 -11.346 684 HA LEU 87 HA LEU 87 -9.132 1.541 -9.305 685 HB2 LEU 87 2HB LEU 87 -9.406 3.466 -11.613 686 HB3 LEU 87 1HB LEU 87 -7.981 3.322 -10.607 687 HG LEU 87 HG LEU 87 -9.088 1.131 -12.364 688 HD11 LEU 87 1HD1 LEU 87 -8.165 2.968 -13.676 689 HD12 LEU 87 2HD1 LEU 87 -7.130 1.545 -13.758 690 HD13 LEU 87 3HD1 LEU 87 -6.680 2.905 -12.729 691 HD21 LEU 87 1HD2 LEU 87 -6.568 1.321 -10.737 692 HD22 LEU 87 2HD2 LEU 87 -6.958 0.033 -11.878 693 HD23 LEU 87 3HD2 LEU 87 -7.942 0.257 -10.431 694 H GLU 88 H GLU 88 -11.479 4.009 -10.180 695 HA GLU 88 HA GLU 88 -10.639 6.080 -8.525 696 HB2 GLU 88 2HB GLU 88 -12.270 6.438 -10.233 697 HB3 GLU 88 1HB GLU 88 -13.372 5.281 -9.504 698 HG2 GLU 88 2HG GLU 88 -13.646 6.778 -7.585 699 HG3 GLU 88 1HG GLU 88 -12.573 7.944 -8.362 700 H GLN 89 H GLN 89 -12.959 3.472 -7.830 701 HA GLN 89 HA GLN 89 -13.484 4.374 -5.186 702 HB2 GLN 89 2HB GLN 89 -13.936 1.656 -6.427 703 HB3 GLN 89 1HB GLN 89 -14.566 2.171 -4.866 704 HG2 GLN 89 2HG GLN 89 -15.248 3.333 -7.557 705 HG3 GLN 89 1HG GLN 89 -16.289 2.345 -6.534 706 HE21 GLN 89 1HE2 GLN 89 -16.668 5.049 -7.591 707 HE22 GLN 89 2HE2 GLN 89 -16.933 6.060 -6.215 708 H LEU 90 H LEU 90 -11.262 2.054 -6.593 709 HA LEU 90 HA LEU 90 -10.313 0.967 -4.180 710 HB2 LEU 90 2HB LEU 90 -8.914 1.256 -6.839 711 HB3 LEU 90 1HB LEU 90 -8.334 0.276 -5.507 712 HG LEU 90 HG LEU 90 -10.898 -0.177 -7.039 713 HD11 LEU 90 1HD1 LEU 90 -8.927 -0.697 -8.357 714 HD12 LEU 90 2HD1 LEU 90 -9.777 -2.170 -7.889 715 HD13 LEU 90 3HD1 LEU 90 -8.300 -1.699 -7.048 716 HD21 LEU 90 1HD2 LEU 90 -11.006 -2.290 -5.784 717 HD22 LEU 90 2HD2 LEU 90 -11.133 -0.884 -4.731 718 HD23 LEU 90 3HD2 LEU 90 -9.616 -1.779 -4.826 719 H LEU 91 H LEU 91 -9.281 3.761 -6.093 720 HA LEU 91 HA LEU 91 -6.970 4.395 -4.628 721 HB2 LEU 91 2HB LEU 91 -8.846 6.162 -6.192 722 HB3 LEU 91 1HB LEU 91 -7.337 6.727 -5.508 723 HG LEU 91 HG LEU 91 -7.564 4.541 -7.579 724 HD11 LEU 91 1HD1 LEU 91 -6.696 6.201 -9.146 725 HD12 LEU 91 2HD1 LEU 91 -6.778 7.434 -7.887 726 HD13 LEU 91 3HD1 LEU 91 -8.258 6.689 -8.489 727 HD21 LEU 91 1HD2 LEU 91 -5.578 4.319 -6.194 728 HD22 LEU 91 2HD2 LEU 91 -5.180 6.016 -6.464 729 HD23 LEU 91 3HD2 LEU 91 -5.138 4.877 -7.809 730 H GLU 92 H GLU 92 -10.333 5.453 -4.201 731 HA GLU 92 HA GLU 92 -9.841 7.279 -2.116 732 HB2 GLU 92 2HB GLU 92 -11.941 7.211 -3.401 733 HB3 GLU 92 1HB GLU 92 -12.337 5.665 -2.668 734 HG2 GLU 92 2HG GLU 92 -12.419 6.741 -0.467 735 HG3 GLU 92 1HG GLU 92 -12.052 8.291 -1.223 736 H GLU 93 H GLU 93 -10.758 3.848 -2.038 737 HA GLU 93 HA GLU 93 -10.721 3.682 0.795 738 HB2 GLU 93 2HB GLU 93 -10.682 1.598 -1.369 739 HB3 GLU 93 1HB GLU 93 -10.568 1.169 0.333 740 HG2 GLU 93 2HG GLU 93 -12.834 2.607 -1.022 741 HG3 GLU 93 1HG GLU 93 -12.843 0.964 -0.381 742 H LEU 94 H LEU 94 -8.324 3.269 -1.681 743 HA LEU 94 HA LEU 94 -6.364 1.883 -0.253 744 HB2 LEU 94 2HB LEU 94 -6.368 2.228 -2.681 745 HB3 LEU 94 1HB LEU 94 -6.045 3.930 -2.440 746 HG LEU 94 HG LEU 94 -3.853 3.345 -1.452 747 HD11 LEU 94 1HD1 LEU 94 -3.004 1.066 -1.740 748 HD12 LEU 94 2HD1 LEU 94 -4.595 0.546 -2.298 749 HD13 LEU 94 3HD1 LEU 94 -4.382 1.112 -0.642 750 HD21 LEU 94 1HD2 LEU 94 -2.812 2.703 -3.567 751 HD22 LEU 94 2HD2 LEU 94 -4.061 3.926 -3.806 752 HD23 LEU 94 3HD2 LEU 94 -4.389 2.238 -4.204 753 H GLU 95 H GLU 95 -6.860 5.400 -0.628 754 HA GLU 95 HA GLU 95 -4.621 6.223 0.853 755 HB2 GLU 95 2HB GLU 95 -7.304 7.589 0.574 756 HB3 GLU 95 1HB GLU 95 -5.846 8.350 1.191 757 HG2 GLU 95 2HG GLU 95 -4.761 7.940 -0.990 758 HG3 GLU 95 1HG GLU 95 -6.292 7.302 -1.590 759 H GLN 96 H GLN 96 -7.920 5.543 1.853 760 HA GLN 96 HA GLN 96 -7.573 6.170 4.588 761 HB2 GLN 96 2HB GLN 96 -9.582 4.393 3.209 762 HB3 GLN 96 1HB GLN 96 -9.686 4.902 4.889 763 HG2 GLN 96 2HG GLN 96 -9.983 7.178 4.258 764 HG3 GLN 96 1HG GLN 96 -9.609 6.816 2.572 765 HE21 GLN 96 1HE2 GLN 96 -11.133 5.809 1.305 766 HE22 GLN 96 2HE2 GLN 96 -12.797 5.685 1.765 767 H ALA 97 H ALA 97 -7.187 3.212 2.717 768 HA ALA 97 HA ALA 97 -6.850 1.444 4.893 769 HB1 ALA 97 1HB ALA 97 -5.894 -0.099 3.263 770 HB2 ALA 97 2HB ALA 97 -5.748 1.213 2.092 771 HB3 ALA 97 3HB ALA 97 -7.343 0.672 2.617 772 H LEU 98 H LEU 98 -4.611 3.446 3.054 773 HA LEU 98 HA LEU 98 -2.207 2.464 4.139 774 HB2 LEU 98 2HB LEU 98 -2.878 5.237 3.151 775 HB3 LEU 98 1HB LEU 98 -1.257 4.656 3.475 776 HG LEU 98 HG LEU 98 -3.109 3.543 1.370 777 HD11 LEU 98 1HD1 LEU 98 -0.680 5.298 1.077 778 HD12 LEU 98 2HD1 LEU 98 -2.350 5.826 0.885 779 HD13 LEU 98 3HD1 LEU 98 -1.668 4.642 -0.229 780 HD21 LEU 98 1HD2 LEU 98 -1.564 1.867 2.213 781 HD22 LEU 98 2HD2 LEU 98 -0.209 2.972 1.984 782 HD23 LEU 98 3HD2 LEU 98 -1.098 2.366 0.588 783 H GLN 99 H GLN 99 -4.474 4.908 5.225 784 HA GLN 99 HA GLN 99 -2.970 5.950 7.348 785 HB2 GLN 99 2HB GLN 99 -4.848 7.185 6.594 786 HB3 GLN 99 1HB GLN 99 -5.919 5.803 6.753 787 HG2 GLN 99 2HG GLN 99 -6.365 7.415 8.475 788 HG3 GLN 99 1HG GLN 99 -5.721 5.932 9.173 789 HE21 GLN 99 1HE2 GLN 99 -5.051 6.926 11.029 790 HE22 GLN 99 2HE2 GLN 99 -3.714 8.027 11.087 791 H LYS 100 H LYS 100 -5.333 3.326 7.155 792 HA LYS 100 HA LYS 100 -5.320 2.648 9.886 793 HB2 LYS 100 2HB LYS 100 -5.874 0.909 7.486 794 HB3 LYS 100 1HB LYS 100 -6.242 0.475 9.150 795 HG2 LYS 100 2HG LYS 100 -7.731 2.487 9.239 796 HG3 LYS 100 1HG LYS 100 -7.469 2.666 7.501 797 HD2 LYS 100 2HD LYS 100 -8.268 0.298 7.246 798 HD3 LYS 100 1HD LYS 100 -8.735 0.347 8.944 799 HE2 LYS 100 2HE LYS 100 -10.655 0.831 7.571 800 HE3 LYS 100 1HE LYS 100 -10.187 2.280 8.459 801 HZ1 LYS 100 1HZ LYS 100 -9.438 1.721 5.639 802 HZ2 LYS 100 2HZ LYS 100 -9.160 3.160 6.498 803 HZ3 LYS 100 3HZ LYS 100 -10.734 2.694 6.111 804 H ILE 101 H ILE 101 -3.410 1.467 7.143 805 HA ILE 101 HA ILE 101 -2.020 -0.559 8.493 806 HB ILE 101 HB ILE 101 -1.144 1.145 6.148 807 HG12 ILE 101 2HG1 ILE 101 -2.272 -1.660 6.279 808 HG13 ILE 101 1HG1 ILE 101 -3.150 -0.226 5.758 809 HG21 ILE 101 1HG2 ILE 101 0.819 0.211 7.243 810 HG22 ILE 101 2HG2 ILE 101 0.538 -0.586 5.696 811 HG23 ILE 101 3HG2 ILE 101 0.098 -1.398 7.198 812 HD11 ILE 101 1HD1 ILE 101 -2.422 -1.555 3.862 813 HD12 ILE 101 2HD1 ILE 101 -0.746 -1.419 4.395 814 HD13 ILE 101 3HD1 ILE 101 -1.624 0.018 3.869 815 H ARG 102 H ARG 102 -1.275 2.874 8.077 816 HA ARG 102 HA ARG 102 1.218 2.841 9.375 817 HB2 ARG 102 2HB ARG 102 -0.807 5.061 9.080 818 HB3 ARG 102 1HB ARG 102 0.818 5.290 9.711 819 HG2 ARG 102 2HG ARG 102 1.773 4.589 7.603 820 HG3 ARG 102 1HG ARG 102 0.165 4.241 6.965 821 HD2 ARG 102 2HD ARG 102 0.993 6.392 6.160 822 HD3 ARG 102 1HD ARG 102 -0.434 6.596 7.172 823 HE ARG 102 HE ARG 102 1.264 7.106 9.002 824 HH11 ARG 102 1HH1 ARG 102 1.780 7.870 5.621 825 HH12 ARG 102 2HH1 ARG 102 2.857 9.189 5.939 826 HH21 ARG 102 1HH2 ARG 102 2.638 8.860 9.443 827 HH22 ARG 102 2HH2 ARG 102 3.329 9.771 8.145 828 H GLU 103 H GLU 103 -2.068 3.240 10.608 829 HA GLU 103 HA GLU 103 -1.291 3.778 13.282 830 HB2 GLU 103 2HB GLU 103 -3.876 2.746 12.121 831 HB3 GLU 103 1HB GLU 103 -3.662 3.118 13.825 832 HG2 GLU 103 2HG GLU 103 -3.128 5.439 13.226 833 HG3 GLU 103 1HG GLU 103 -3.419 5.050 11.531 834 H LEU 104 H LEU 104 -2.084 0.824 11.520 835 HA LEU 104 HA LEU 104 -2.022 -0.920 13.751 836 HB2 LEU 104 2HB LEU 104 -1.471 -1.526 10.844 837 HB3 LEU 104 1HB LEU 104 -1.763 -2.723 12.088 838 HG LEU 104 HG LEU 104 -3.745 -0.694 11.061 839 HD11 LEU 104 1HD1 LEU 104 -4.939 -2.646 10.221 840 HD12 LEU 104 2HD1 LEU 104 -3.640 -3.691 10.794 841 HD13 LEU 104 3HD1 LEU 104 -3.329 -2.519 9.513 842 HD21 LEU 104 1HD2 LEU 104 -5.367 -1.853 12.499 843 HD22 LEU 104 2HD2 LEU 104 -4.096 -1.064 13.430 844 HD23 LEU 104 3HD2 LEU 104 -4.056 -2.810 13.186 845 H ALA 105 H ALA 105 0.439 0.135 11.461 846 HA ALA 105 HA ALA 105 2.513 -1.532 12.396 847 HB1 ALA 105 1HB ALA 105 2.560 -0.364 10.230 848 HB2 ALA 105 2HB ALA 105 4.002 -0.049 11.193 849 HB3 ALA 105 3HB ALA 105 2.735 1.173 11.079 850 H GLU 106 H GLU 106 1.122 1.372 13.580 851 HA GLU 106 HA GLU 106 3.303 2.011 15.376 852 HB2 GLU 106 2HB GLU 106 1.936 3.770 14.292 853 HB3 GLU 106 1HB GLU 106 0.520 3.171 15.137 854 HG2 GLU 106 2HG GLU 106 1.620 3.719 17.278 855 HG3 GLU 106 1HG GLU 106 2.963 4.415 16.370 856 H LYS 107 H LYS 107 0.732 -0.124 15.329 857 HA LYS 107 HA LYS 107 0.219 -0.009 18.190 858 HB2 LYS 107 2HB LYS 107 -1.069 -1.548 15.953 859 HB3 LYS 107 1HB LYS 107 -1.423 -1.859 17.645 860 HG2 LYS 107 2HG LYS 107 -2.169 0.470 17.886 861 HG3 LYS 107 1HG LYS 107 -1.877 0.719 16.165 862 HD2 LYS 107 2HD LYS 107 -4.249 0.260 16.621 863 HD3 LYS 107 1HD LYS 107 -3.523 -0.996 15.617 864 HE2 LYS 107 2HE LYS 107 -4.955 -1.965 17.342 865 HE3 LYS 107 1HE LYS 107 -3.277 -2.436 17.583 866 HZ1 LYS 107 1HZ LYS 107 -3.324 -0.319 19.129 867 HZ2 LYS 107 2HZ LYS 107 -3.812 -1.832 19.686 868 HZ3 LYS 107 3HZ LYS 107 -4.972 -0.694 19.208 869 H LYS 108 H LYS 108 1.282 -1.210 19.553 870 HA LYS 108 HA LYS 108 2.403 -3.747 18.600 871 HB2 LYS 108 2HB LYS 108 3.944 -1.978 19.656 872 HB3 LYS 108 1HB LYS 108 3.143 -2.357 21.176 873 HG2 LYS 108 2HG LYS 108 3.835 -4.703 20.934 874 HG3 LYS 108 1HG LYS 108 4.683 -4.282 19.448 875 HD2 LYS 108 2HD LYS 108 6.046 -2.670 20.769 876 HD3 LYS 108 1HD LYS 108 5.267 -3.283 22.228 877 HE2 LYS 108 2HE LYS 108 6.980 -4.841 20.295 878 HE3 LYS 108 1HE LYS 108 7.400 -4.380 21.942 879 HZ1 LYS 108 1HZ LYS 108 5.493 -5.768 22.687 880 HZ2 LYS 108 2HZ LYS 108 6.727 -6.643 21.936 881 HZ3 LYS 108 3HZ LYS 108 5.305 -6.306 21.090 882 H ASN 109 H ASN 109 0.096 -2.224 20.578 883 HA ASN 109 HA ASN 109 -0.562 -4.767 21.888 884 HB2 ASN 109 2HB ASN 109 -0.057 -3.011 23.509 885 HB3 ASN 109 1HB ASN 109 -1.226 -1.941 22.744 886 HD21 ASN 109 1HD2 ASN 109 -0.781 -4.722 24.753 887 HD22 ASN 109 2HD2 ASN 109 -2.408 -4.824 25.330 Start of MODEL 7 1 H1 SER 1 1HT SER 1 16.963 3.073 15.023 2 H2 SER 1 2HT SER 1 16.979 3.679 16.595 3 H3 SER 1 3HT SER 1 15.830 4.244 15.489 4 HA SER 1 HA SER 1 16.043 1.492 16.559 5 HB2 SER 1 2HB SER 1 13.939 3.604 17.061 6 HB3 SER 1 1HB SER 1 14.050 2.014 17.818 7 HG SER 1 HG SER 1 14.988 3.327 19.261 8 H GLU 2 H GLU 2 14.150 0.155 16.006 9 HA GLU 2 HA GLU 2 13.620 0.252 13.217 10 HB2 GLU 2 2HB GLU 2 12.616 -1.508 15.436 11 HB3 GLU 2 1HB GLU 2 11.984 -1.652 13.805 12 HG2 GLU 2 2HG GLU 2 13.731 -3.289 14.238 13 HG3 GLU 2 1HG GLU 2 14.206 -2.167 12.967 14 H PHE 3 H PHE 3 11.955 1.474 15.961 15 HA PHE 3 HA PHE 3 9.340 1.649 15.021 16 HB2 PHE 3 2HB PHE 3 10.793 3.682 16.730 17 HB3 PHE 3 1HB PHE 3 9.049 3.486 16.606 18 HD1 PHE 3 1HD PHE 3 12.038 2.444 18.268 19 HD2 PHE 3 2HD PHE 3 8.031 1.317 17.411 20 HE1 PHE 3 1HE PHE 3 12.100 0.830 20.123 21 HE2 PHE 3 2HE PHE 3 8.082 -0.296 19.263 22 HZ PHE 3 HZ PHE 3 10.120 -0.541 20.622 23 H GLU 4 H GLU 4 11.918 4.077 14.792 24 HA GLU 4 HA GLU 4 10.450 5.865 13.171 25 HB2 GLU 4 2HB GLU 4 12.547 7.059 12.917 26 HB3 GLU 4 1HB GLU 4 12.336 6.560 14.590 27 HG2 GLU 4 2HG GLU 4 13.809 4.605 14.101 28 HG3 GLU 4 1HG GLU 4 14.127 5.321 12.524 29 H LYS 5 H LYS 5 12.576 3.160 12.457 30 HA LYS 5 HA LYS 5 13.082 3.725 9.743 31 HB2 LYS 5 2HB LYS 5 12.877 1.060 11.156 32 HB3 LYS 5 1HB LYS 5 13.473 1.268 9.519 33 HG2 LYS 5 2HG LYS 5 15.335 2.587 10.340 34 HG3 LYS 5 1HG LYS 5 14.717 2.455 11.989 35 HD2 LYS 5 2HD LYS 5 14.946 -0.002 11.849 36 HD3 LYS 5 1HD LYS 5 15.614 0.172 10.230 37 HE2 LYS 5 2HE LYS 5 17.522 1.333 11.066 38 HE3 LYS 5 1HE LYS 5 16.813 1.447 12.677 39 HZ1 LYS 5 1HZ LYS 5 16.961 -0.936 12.897 40 HZ2 LYS 5 2HZ LYS 5 18.486 -0.305 12.517 41 HZ3 LYS 5 3HZ LYS 5 17.577 -1.082 11.324 42 H LEU 6 H LEU 6 10.490 1.946 11.349 43 HA LEU 6 HA LEU 6 9.209 1.171 8.937 44 HB2 LEU 6 2HB LEU 6 8.890 -0.021 11.069 45 HB3 LEU 6 1HB LEU 6 8.077 1.385 11.727 46 HG LEU 6 HG LEU 6 6.257 1.116 10.110 47 HD11 LEU 6 1HD1 LEU 6 6.143 -0.856 8.691 48 HD12 LEU 6 2HD1 LEU 6 7.753 -1.339 9.219 49 HD13 LEU 6 3HD1 LEU 6 7.538 0.140 8.282 50 HD21 LEU 6 1HD2 LEU 6 6.920 -1.405 11.617 51 HD22 LEU 6 2HD2 LEU 6 5.336 -0.983 10.976 52 HD23 LEU 6 3HD2 LEU 6 6.058 -0.002 12.255 53 H ARG 7 H ARG 7 8.919 3.901 11.116 54 HA ARG 7 HA ARG 7 6.569 4.985 9.985 55 HB2 ARG 7 2HB ARG 7 7.641 5.584 12.220 56 HB3 ARG 7 1HB ARG 7 8.772 6.566 11.305 57 HG2 ARG 7 2HG ARG 7 7.029 7.971 12.157 58 HG3 ARG 7 1HG ARG 7 6.859 7.853 10.405 59 HD2 ARG 7 2HD ARG 7 5.098 6.203 10.653 60 HD3 ARG 7 1HD ARG 7 5.312 6.208 12.401 61 HE ARG 7 HE ARG 7 4.683 8.785 11.304 62 HH11 ARG 7 1HH1 ARG 7 3.329 5.758 12.475 63 HH12 ARG 7 2HH1 ARG 7 1.807 6.455 12.932 64 HH21 ARG 7 1HH2 ARG 7 2.650 9.710 11.884 65 HH22 ARG 7 2HH2 ARG 7 1.418 8.706 12.567 66 H GLN 8 H GLN 8 10.010 5.494 9.369 67 HA GLN 8 HA GLN 8 9.737 7.540 7.445 68 HB2 GLN 8 2HB GLN 8 11.848 7.072 8.581 69 HB3 GLN 8 1HB GLN 8 11.925 5.490 7.821 70 HG2 GLN 8 2HG GLN 8 12.053 6.620 5.613 71 HG3 GLN 8 1HG GLN 8 12.130 8.165 6.458 72 HE21 GLN 8 1HE2 GLN 8 14.074 6.900 4.701 73 HE22 GLN 8 2HE2 GLN 8 15.530 6.760 5.621 74 H THR 9 H THR 9 10.054 4.022 7.129 75 HA THR 9 HA THR 9 10.017 4.021 4.295 76 HB THR 9 HB THR 9 9.303 1.734 6.147 77 HG1 THR 9 1HG THR 9 11.334 2.345 6.742 78 HG21 THR 9 1HG2 THR 9 10.085 0.335 4.292 79 HG22 THR 9 2HG2 THR 9 10.402 1.777 3.328 80 HG23 THR 9 3HG2 THR 9 8.747 1.363 3.776 81 H GLY 10 H GLY 10 7.538 3.692 6.781 82 HA2 GLY 10 2HA GLY 10 5.380 2.998 5.122 83 HA3 GLY 10 1HA GLY 10 5.254 3.827 6.670 84 H ASP 11 H ASP 11 6.726 6.110 6.060 85 HA ASP 11 HA ASP 11 4.789 7.728 4.818 86 HB2 ASP 11 2HB ASP 11 6.441 8.540 6.482 87 HB3 ASP 11 1HB ASP 11 7.712 8.344 5.281 88 H GLU 12 H GLU 12 7.838 6.332 3.662 89 HA GLU 12 HA GLU 12 7.891 7.517 1.113 90 HB2 GLU 12 2HB GLU 12 8.858 4.754 1.888 91 HB3 GLU 12 1HB GLU 12 9.315 5.629 0.437 92 HG2 GLU 12 2HG GLU 12 10.330 7.370 1.902 93 HG3 GLU 12 1HG GLU 12 10.002 6.318 3.279 94 H LEU 13 H LEU 13 6.429 4.541 2.292 95 HA LEU 13 HA LEU 13 5.483 3.536 -0.140 96 HB2 LEU 13 2HB LEU 13 5.606 2.278 1.990 97 HB3 LEU 13 1HB LEU 13 4.275 3.232 2.610 98 HG LEU 13 HG LEU 13 2.838 2.304 0.791 99 HD11 LEU 13 1HD1 LEU 13 5.203 0.495 0.340 100 HD12 LEU 13 2HD1 LEU 13 4.596 1.713 -0.783 101 HD13 LEU 13 3HD1 LEU 13 3.606 0.309 -0.383 102 HD21 LEU 13 1HD2 LEU 13 4.119 0.300 2.648 103 HD22 LEU 13 2HD2 LEU 13 2.562 0.109 1.842 104 HD23 LEU 13 3HD2 LEU 13 2.782 1.379 3.045 105 H VAL 14 H VAL 14 3.874 5.574 2.285 106 HA VAL 14 HA VAL 14 1.431 5.818 0.897 107 HB VAL 14 HB VAL 14 2.672 7.672 2.941 108 HG11 VAL 14 1HG1 VAL 14 0.983 8.855 1.642 109 HG12 VAL 14 2HG1 VAL 14 0.402 8.544 3.278 110 HG13 VAL 14 3HG1 VAL 14 -0.172 7.555 1.936 111 HG21 VAL 14 1HG2 VAL 14 2.303 5.463 3.829 112 HG22 VAL 14 2HG2 VAL 14 0.660 5.445 3.190 113 HG23 VAL 14 3HG2 VAL 14 1.090 6.562 4.484 114 H GLN 15 H GLN 15 4.378 7.842 0.906 115 HA GLN 15 HA GLN 15 3.413 9.920 -0.623 116 HB2 GLN 15 2HB GLN 15 5.405 9.997 0.735 117 HB3 GLN 15 1HB GLN 15 6.148 8.738 -0.236 118 HG2 GLN 15 2HG GLN 15 7.057 10.808 -0.777 119 HG3 GLN 15 1HG GLN 15 6.105 10.207 -2.135 120 HE21 GLN 15 1HE2 GLN 15 5.888 12.289 -3.001 121 HE22 GLN 15 2HE2 GLN 15 4.840 13.473 -2.302 122 H ALA 16 H ALA 16 4.983 6.855 -1.467 123 HA ALA 16 HA ALA 16 5.233 7.302 -4.228 124 HB1 ALA 16 1HB ALA 16 4.853 4.678 -2.786 125 HB2 ALA 16 2HB ALA 16 6.393 5.496 -3.042 126 HB3 ALA 16 3HB ALA 16 5.480 4.886 -4.422 127 H PHE 17 H PHE 17 2.610 5.890 -2.305 128 HA PHE 17 HA PHE 17 0.971 5.245 -4.511 129 HB2 PHE 17 2HB PHE 17 0.464 5.570 -1.584 130 HB3 PHE 17 1HB PHE 17 -0.898 5.430 -2.690 131 HD1 PHE 17 1HD PHE 17 1.317 3.645 -0.664 132 HD2 PHE 17 2HD PHE 17 -0.701 3.431 -4.397 133 HE1 PHE 17 1HE PHE 17 1.536 1.195 -0.640 134 HE2 PHE 17 2HE PHE 17 -0.487 0.981 -4.379 135 HZ PHE 17 HZ PHE 17 0.632 -0.139 -2.498 136 H GLN 18 H GLN 18 1.217 8.157 -2.509 137 HA GLN 18 HA GLN 18 -0.964 9.502 -3.676 138 HB2 GLN 18 2HB GLN 18 1.549 10.643 -2.436 139 HB3 GLN 18 1HB GLN 18 0.106 11.566 -2.823 140 HG2 GLN 18 2HG GLN 18 0.379 9.371 -0.789 141 HG3 GLN 18 1HG GLN 18 0.082 11.083 -0.491 142 HE21 GLN 18 1HE2 GLN 18 -1.458 8.712 0.279 143 HE22 GLN 18 2HE2 GLN 18 -3.053 8.946 -0.354 144 H ARG 19 H ARG 19 2.421 9.229 -4.559 145 HA ARG 19 HA ARG 19 2.355 11.007 -6.758 146 HB2 ARG 19 2HB ARG 19 4.480 10.318 -5.828 147 HB3 ARG 19 1HB ARG 19 4.119 8.627 -6.130 148 HG2 ARG 19 2HG ARG 19 5.766 9.565 -7.708 149 HG3 ARG 19 1HG ARG 19 4.318 8.960 -8.511 150 HD2 ARG 19 2HD ARG 19 5.109 11.124 -9.415 151 HD3 ARG 19 1HD ARG 19 3.471 11.199 -8.773 152 HE ARG 19 HE ARG 19 5.417 11.960 -6.828 153 HH11 ARG 19 1HH1 ARG 19 3.743 13.122 -9.683 154 HH12 ARG 19 2HH1 ARG 19 3.757 14.774 -9.174 155 HH21 ARG 19 1HH2 ARG 19 5.445 14.159 -6.159 156 HH22 ARG 19 2HH2 ARG 19 4.733 15.366 -7.173 157 H LEU 20 H LEU 20 1.751 7.556 -6.386 158 HA LEU 20 HA LEU 20 1.353 6.885 -9.075 159 HB2 LEU 20 2HB LEU 20 1.614 5.253 -7.245 160 HB3 LEU 20 1HB LEU 20 0.043 5.713 -6.622 161 HG LEU 20 HG LEU 20 -0.954 4.915 -8.786 162 HD11 LEU 20 1HD1 LEU 20 1.811 3.784 -9.183 163 HD12 LEU 20 2HD1 LEU 20 1.029 5.014 -10.176 164 HD13 LEU 20 3HD1 LEU 20 0.386 3.372 -10.137 165 HD21 LEU 20 1HD2 LEU 20 -1.053 3.580 -6.759 166 HD22 LEU 20 2HD2 LEU 20 0.540 2.909 -7.103 167 HD23 LEU 20 3HD2 LEU 20 -0.817 2.548 -8.169 168 H ARG 21 H ARG 21 -0.862 8.156 -6.626 169 HA ARG 21 HA ARG 21 -3.239 7.977 -8.082 170 HB2 ARG 21 2HB ARG 21 -2.419 10.037 -6.038 171 HB3 ARG 21 1HB ARG 21 -4.052 9.846 -6.656 172 HG2 ARG 21 2HG ARG 21 -3.919 7.451 -5.824 173 HG3 ARG 21 1HG ARG 21 -2.470 7.956 -4.952 174 HD2 ARG 21 2HD ARG 21 -4.311 8.134 -3.456 175 HD3 ARG 21 1HD ARG 21 -3.830 9.769 -3.917 176 HE ARG 21 HE ARG 21 -5.751 9.348 -5.677 177 HH11 ARG 21 1HH1 ARG 21 -5.727 8.703 -2.197 178 HH12 ARG 21 2HH1 ARG 21 -7.448 8.789 -2.064 179 HH21 ARG 21 1HH2 ARG 21 -8.032 9.463 -5.456 180 HH22 ARG 21 2HH2 ARG 21 -8.773 9.193 -3.908 181 H GLU 22 H GLU 22 -0.813 10.549 -7.949 182 HA GLU 22 HA GLU 22 -2.113 12.331 -9.708 183 HB2 GLU 22 2HB GLU 22 0.815 12.006 -9.051 184 HB3 GLU 22 1HB GLU 22 0.150 13.344 -9.977 185 HG2 GLU 22 2HG GLU 22 -0.490 12.658 -7.122 186 HG3 GLU 22 1HG GLU 22 0.512 13.996 -7.685 187 H ILE 23 H ILE 23 0.169 9.719 -10.214 188 HA ILE 23 HA ILE 23 0.655 10.117 -12.957 189 HB ILE 23 HB ILE 23 0.717 7.586 -11.297 190 HG12 ILE 23 2HG1 ILE 23 2.935 9.427 -12.205 191 HG13 ILE 23 1HG1 ILE 23 2.265 9.363 -10.580 192 HG21 ILE 23 1HG2 ILE 23 2.019 6.570 -13.048 193 HG22 ILE 23 2HG2 ILE 23 1.944 8.047 -14.001 194 HG23 ILE 23 3HG2 ILE 23 0.476 7.114 -13.711 195 HD11 ILE 23 1HD1 ILE 23 3.718 7.134 -11.979 196 HD12 ILE 23 2HD1 ILE 23 3.053 7.070 -10.346 197 HD13 ILE 23 3HD1 ILE 23 4.373 8.179 -10.719 198 H PHE 24 H PHE 24 -1.693 8.112 -11.239 199 HA PHE 24 HA PHE 24 -2.967 7.069 -13.539 200 HB2 PHE 24 2HB PHE 24 -3.181 5.952 -11.400 201 HB3 PHE 24 1HB PHE 24 -3.937 7.373 -10.689 202 HD1 PHE 24 1HD PHE 24 -4.413 4.977 -13.498 203 HD2 PHE 24 2HD PHE 24 -6.227 7.439 -10.543 204 HE1 PHE 24 1HE PHE 24 -6.619 4.112 -14.139 205 HE2 PHE 24 2HE PHE 24 -8.441 6.577 -11.176 206 HZ PHE 24 HZ PHE 24 -8.639 4.912 -12.975 207 H ASP 25 H ASP 25 -3.537 9.882 -11.522 208 HA ASP 25 HA ASP 25 -6.008 10.684 -12.558 209 HB2 ASP 25 2HB ASP 25 -5.285 11.684 -10.538 210 HB3 ASP 25 1HB ASP 25 -3.755 12.188 -11.243 211 H LYS 26 H LYS 26 -2.742 11.245 -13.689 212 HA LYS 26 HA LYS 26 -3.758 12.993 -15.777 213 HB2 LYS 26 2HB LYS 26 -0.933 12.315 -14.972 214 HB3 LYS 26 1HB LYS 26 -1.359 13.408 -16.287 215 HG2 LYS 26 2HG LYS 26 -2.508 14.876 -14.732 216 HG3 LYS 26 1HG LYS 26 -2.165 13.768 -13.407 217 HD2 LYS 26 2HD LYS 26 0.228 14.158 -13.703 218 HD3 LYS 26 1HD LYS 26 -0.114 15.252 -15.046 219 HE2 LYS 26 2HE LYS 26 0.296 16.514 -13.002 220 HE3 LYS 26 1HE LYS 26 -1.372 16.713 -13.534 221 HZ1 LYS 26 1HZ LYS 26 -0.448 14.888 -11.379 222 HZ2 LYS 26 2HZ LYS 26 -2.054 15.070 -11.882 223 HZ3 LYS 26 3HZ LYS 26 -1.248 16.358 -11.150 224 H GLY 27 H GLY 27 -3.230 9.737 -15.385 225 HA2 GLY 27 2HA GLY 27 -3.651 8.069 -16.934 226 HA3 GLY 27 1HA GLY 27 -3.765 9.300 -18.176 227 H ASP 28 H ASP 28 -0.935 8.975 -16.135 228 HA ASP 28 HA ASP 28 0.622 8.481 -18.536 229 HB2 ASP 28 2HB ASP 28 1.288 10.156 -16.736 230 HB3 ASP 28 1HB ASP 28 1.727 8.763 -15.751 231 H ASP 29 H ASP 29 0.312 6.433 -19.136 232 HA ASP 29 HA ASP 29 0.038 4.250 -17.361 233 HB2 ASP 29 2HB ASP 29 -1.069 4.117 -19.439 234 HB3 ASP 29 1HB ASP 29 0.417 4.414 -20.335 235 H ASP 30 H ASP 30 2.827 5.319 -19.314 236 HA ASP 30 HA ASP 30 4.269 2.924 -19.038 237 HB2 ASP 30 2HB ASP 30 6.157 3.990 -19.985 238 HB3 ASP 30 1HB ASP 30 4.757 4.744 -20.730 239 H SER 31 H SER 31 4.484 5.865 -17.045 240 HA SER 31 HA SER 31 6.515 4.745 -15.391 241 HB2 SER 31 2HB SER 31 6.166 6.676 -13.934 242 HB3 SER 31 1HB SER 31 6.255 7.180 -15.619 243 HG SER 31 HG SER 31 4.143 7.631 -15.631 244 H LEU 32 H LEU 32 3.051 4.661 -15.373 245 HA LEU 32 HA LEU 32 2.549 4.232 -12.663 246 HB2 LEU 32 2HB LEU 32 0.947 4.729 -14.618 247 HB3 LEU 32 1HB LEU 32 0.935 3.003 -14.887 248 HG LEU 32 HG LEU 32 0.123 4.214 -12.246 249 HD11 LEU 32 1HD1 LEU 32 -1.627 3.578 -14.618 250 HD12 LEU 32 2HD1 LEU 32 -1.282 5.185 -13.979 251 HD13 LEU 32 3HD1 LEU 32 -2.195 4.028 -13.010 252 HD21 LEU 32 1HD2 LEU 32 -1.071 2.106 -11.974 253 HD22 LEU 32 2HD2 LEU 32 0.646 1.817 -12.259 254 HD23 LEU 32 3HD2 LEU 32 -0.518 1.573 -13.561 255 H GLU 33 H GLU 33 3.110 1.816 -15.250 256 HA GLU 33 HA GLU 33 2.807 -0.438 -13.573 257 HB2 GLU 33 2HB GLU 33 4.096 0.011 -16.235 258 HB3 GLU 33 1HB GLU 33 4.368 -1.508 -15.395 259 HG2 GLU 33 2HG GLU 33 1.627 -0.426 -15.976 260 HG3 GLU 33 1HG GLU 33 2.500 -1.490 -17.076 261 H GLN 34 H GLN 34 5.616 1.524 -14.386 262 HA GLN 34 HA GLN 34 7.520 -0.133 -13.096 263 HB2 GLN 34 2HB GLN 34 7.628 2.797 -13.811 264 HB3 GLN 34 1HB GLN 34 8.996 1.875 -13.201 265 HG2 GLN 34 2HG GLN 34 8.846 0.390 -15.139 266 HG3 GLN 34 1HG GLN 34 7.496 1.345 -15.748 267 HE21 GLN 34 1HE2 GLN 34 10.105 0.785 -16.914 268 HE22 GLN 34 2HE2 GLN 34 10.834 2.318 -17.224 269 H VAL 35 H VAL 35 5.717 2.728 -12.057 270 HA VAL 35 HA VAL 35 6.923 2.953 -9.528 271 HB VAL 35 HB VAL 35 4.169 3.838 -10.442 272 HG11 VAL 35 1HG1 VAL 35 4.164 5.320 -8.488 273 HG12 VAL 35 2HG1 VAL 35 5.680 4.605 -7.940 274 HG13 VAL 35 3HG1 VAL 35 4.215 3.625 -8.004 275 HG21 VAL 35 1HG2 VAL 35 6.764 5.341 -10.119 276 HG22 VAL 35 2HG2 VAL 35 5.219 6.048 -10.587 277 HG23 VAL 35 3HG2 VAL 35 6.011 4.881 -11.645 278 H LEU 36 H LEU 36 4.173 1.036 -10.656 279 HA LEU 36 HA LEU 36 3.271 0.154 -8.146 280 HB2 LEU 36 2HB LEU 36 3.224 -1.188 -10.844 281 HB3 LEU 36 1HB LEU 36 2.460 -1.876 -9.427 282 HG LEU 36 HG LEU 36 1.738 0.783 -10.658 283 HD11 LEU 36 1HD1 LEU 36 -0.296 -0.362 -11.394 284 HD12 LEU 36 2HD1 LEU 36 0.343 -1.886 -10.779 285 HD13 LEU 36 3HD1 LEU 36 1.148 -1.068 -12.119 286 HD21 LEU 36 1HD2 LEU 36 1.292 0.729 -8.274 287 HD22 LEU 36 2HD2 LEU 36 0.467 -0.820 -8.441 288 HD23 LEU 36 3HD2 LEU 36 -0.221 0.629 -9.173 289 H GLU 37 H GLU 37 5.778 -1.093 -10.284 290 HA GLU 37 HA GLU 37 6.391 -3.357 -8.694 291 HB2 GLU 37 2HB GLU 37 6.959 -3.111 -11.109 292 HB3 GLU 37 1HB GLU 37 8.177 -1.925 -10.662 293 HG2 GLU 37 2HG GLU 37 9.362 -3.600 -9.378 294 HG3 GLU 37 1HG GLU 37 8.126 -4.793 -9.770 295 H GLU 38 H GLU 38 7.638 -0.057 -8.846 296 HA GLU 38 HA GLU 38 9.738 -0.451 -6.990 297 HB2 GLU 38 2HB GLU 38 8.266 2.041 -7.836 298 HB3 GLU 38 1HB GLU 38 9.645 2.062 -6.749 299 HG2 GLU 38 2HG GLU 38 9.585 1.195 -9.623 300 HG3 GLU 38 1HG GLU 38 10.428 2.579 -8.927 301 H ILE 39 H ILE 39 6.379 0.543 -6.662 302 HA ILE 39 HA ILE 39 6.390 1.075 -3.908 303 HB ILE 39 HB ILE 39 4.184 0.108 -5.738 304 HG12 ILE 39 2HG1 ILE 39 4.697 2.792 -4.440 305 HG13 ILE 39 1HG1 ILE 39 5.051 2.391 -6.116 306 HG21 ILE 39 1HG2 ILE 39 2.595 0.654 -3.954 307 HG22 ILE 39 2HG2 ILE 39 3.941 0.959 -2.856 308 HG23 ILE 39 3HG2 ILE 39 3.673 -0.664 -3.493 309 HD11 ILE 39 1HD1 ILE 39 2.672 2.046 -6.534 310 HD12 ILE 39 2HD1 ILE 39 2.991 3.668 -5.916 311 HD13 ILE 39 3HD1 ILE 39 2.319 2.434 -4.850 312 H GLU 40 H GLU 40 6.047 -1.896 -5.738 313 HA GLU 40 HA GLU 40 5.308 -3.647 -3.692 314 HB2 GLU 40 2HB GLU 40 5.321 -4.203 -6.097 315 HB3 GLU 40 1HB GLU 40 7.075 -4.169 -6.090 316 HG2 GLU 40 2HG GLU 40 7.070 -6.045 -4.496 317 HG3 GLU 40 1HG GLU 40 5.310 -6.102 -4.616 318 H GLU 41 H GLU 41 8.512 -2.599 -4.794 319 HA GLU 41 HA GLU 41 10.042 -4.122 -2.998 320 HB2 GLU 41 2HB GLU 41 10.557 -1.556 -4.479 321 HB3 GLU 41 1HB GLU 41 11.763 -2.297 -3.441 322 HG2 GLU 41 2HG GLU 41 10.471 -3.714 -5.749 323 HG3 GLU 41 1HG GLU 41 11.979 -2.811 -5.876 324 H LEU 42 H LEU 42 8.541 -0.946 -2.752 325 HA LEU 42 HA LEU 42 9.687 -0.231 -0.257 326 HB2 LEU 42 2HB LEU 42 7.100 0.689 -1.513 327 HB3 LEU 42 1HB LEU 42 7.874 1.440 -0.131 328 HG LEU 42 HG LEU 42 8.987 1.311 -2.930 329 HD11 LEU 42 1HD1 LEU 42 7.893 3.619 -1.335 330 HD12 LEU 42 2HD1 LEU 42 7.113 2.847 -2.715 331 HD13 LEU 42 3HD1 LEU 42 8.626 3.724 -2.935 332 HD21 LEU 42 1HD2 LEU 42 10.087 2.611 -0.438 333 HD22 LEU 42 2HD2 LEU 42 10.731 2.822 -2.065 334 HD23 LEU 42 3HD2 LEU 42 10.783 1.236 -1.298 335 H ILE 43 H ILE 43 6.696 -1.856 -1.185 336 HA ILE 43 HA ILE 43 5.548 -2.117 1.367 337 HB ILE 43 HB ILE 43 5.368 -4.022 -0.992 338 HG12 ILE 43 2HG1 ILE 43 3.457 -1.856 -0.089 339 HG13 ILE 43 1HG1 ILE 43 4.579 -1.709 -1.437 340 HG21 ILE 43 1HG2 ILE 43 3.314 -4.868 0.059 341 HG22 ILE 43 2HG2 ILE 43 3.617 -3.842 1.462 342 HG23 ILE 43 3HG2 ILE 43 4.732 -5.151 1.070 343 HD11 ILE 43 1HD1 ILE 43 3.420 -3.532 -2.587 344 HD12 ILE 43 2HD1 ILE 43 2.331 -2.199 -2.210 345 HD13 ILE 43 3HD1 ILE 43 2.299 -3.667 -1.233 346 H GLN 44 H GLN 44 7.922 -4.045 -0.362 347 HA GLN 44 HA GLN 44 8.134 -6.174 1.437 348 HB2 GLN 44 2HB GLN 44 9.083 -5.903 -0.947 349 HB3 GLN 44 1HB GLN 44 10.425 -5.072 -0.180 350 HG2 GLN 44 2HG GLN 44 9.588 -7.841 0.595 351 HG3 GLN 44 1HG GLN 44 10.718 -7.522 -0.712 352 HE21 GLN 44 1HE2 GLN 44 11.075 -8.934 1.812 353 HE22 GLN 44 2HE2 GLN 44 12.392 -8.156 2.616 354 H LYS 45 H LYS 45 9.940 -3.106 1.203 355 HA LYS 45 HA LYS 45 11.642 -3.490 3.420 356 HB2 LYS 45 2HB LYS 45 10.481 -0.916 2.334 357 HB3 LYS 45 1HB LYS 45 11.796 -1.021 3.488 358 HG2 LYS 45 2HG LYS 45 13.206 -2.075 1.824 359 HG3 LYS 45 1HG LYS 45 11.871 -2.067 0.666 360 HD2 LYS 45 2HD LYS 45 13.408 -0.192 0.257 361 HD3 LYS 45 1HD LYS 45 11.812 0.384 0.736 362 HE2 LYS 45 2HE LYS 45 12.662 0.638 3.064 363 HE3 LYS 45 1HE LYS 45 14.265 0.188 2.492 364 HZ1 LYS 45 1HZ LYS 45 14.102 2.551 2.637 365 HZ2 LYS 45 2HZ LYS 45 12.698 2.589 1.710 366 HZ3 LYS 45 3HZ LYS 45 14.164 2.144 0.996 367 H HIS 46 H HIS 46 8.477 -1.992 3.093 368 HA HIS 46 HA HIS 46 8.175 -1.073 5.709 369 HB2 HIS 46 2HB HIS 46 6.787 -0.420 3.724 370 HB3 HIS 46 1HB HIS 46 5.974 -1.975 3.841 371 HD1 HIS 46 1HD HIS 46 3.907 -1.981 5.272 372 HD2 HIS 46 2HD HIS 46 6.442 1.184 6.144 373 HE1 HIS 46 1HE HIS 46 2.704 -0.556 6.969 374 H ARG 47 H ARG 47 7.085 -4.120 4.209 375 HA ARG 47 HA ARG 47 5.939 -5.125 6.589 376 HB2 ARG 47 2HB ARG 47 6.715 -6.367 3.997 377 HB3 ARG 47 1HB ARG 47 6.309 -7.400 5.359 378 HG2 ARG 47 2HG ARG 47 4.198 -5.802 5.451 379 HG3 ARG 47 1HG ARG 47 4.586 -5.627 3.736 380 HD2 ARG 47 2HD ARG 47 2.998 -7.461 4.155 381 HD3 ARG 47 1HD ARG 47 4.511 -8.030 3.443 382 HE ARG 47 HE ARG 47 4.860 -8.251 6.172 383 HH11 ARG 47 1HH1 ARG 47 2.584 -9.564 3.833 384 HH12 ARG 47 2HH1 ARG 47 2.345 -11.030 4.722 385 HH21 ARG 47 1HH2 ARG 47 4.540 -10.152 7.335 386 HH22 ARG 47 2HH2 ARG 47 3.463 -11.371 6.726 387 H GLN 48 H GLN 48 9.190 -5.304 5.280 388 HA GLN 48 HA GLN 48 10.160 -7.377 6.896 389 HB2 GLN 48 2HB GLN 48 11.347 -6.416 4.943 390 HB3 GLN 48 1HB GLN 48 11.621 -4.941 5.855 391 HG2 GLN 48 2HG GLN 48 13.611 -6.229 5.863 392 HG3 GLN 48 1HG GLN 48 12.932 -6.254 7.490 393 HE21 GLN 48 1HE2 GLN 48 13.599 -8.091 4.634 394 HE22 GLN 48 2HE2 GLN 48 13.299 -9.652 5.317 395 H LEU 49 H LEU 49 10.039 -3.887 7.362 396 HA LEU 49 HA LEU 49 11.192 -3.955 9.965 397 HB2 LEU 49 2HB LEU 49 9.637 -1.813 8.531 398 HB3 LEU 49 1HB LEU 49 10.480 -1.584 10.052 399 HG LEU 49 HG LEU 49 11.834 -2.389 7.479 400 HD11 LEU 49 1HD1 LEU 49 10.887 -0.177 7.245 401 HD12 LEU 49 2HD1 LEU 49 12.642 -0.086 7.392 402 HD13 LEU 49 3HD1 LEU 49 11.618 0.318 8.770 403 HD21 LEU 49 1HD2 LEU 49 13.040 -3.075 9.478 404 HD22 LEU 49 2HD2 LEU 49 12.930 -1.438 10.125 405 HD23 LEU 49 3HD2 LEU 49 13.880 -1.749 8.673 406 H PHE 50 H PHE 50 7.903 -3.898 8.698 407 HA PHE 50 HA PHE 50 6.555 -3.444 11.138 408 HB2 PHE 50 2HB PHE 50 5.405 -3.132 9.034 409 HB3 PHE 50 1HB PHE 50 5.662 -4.814 8.596 410 HD1 PHE 50 1HD PHE 50 3.868 -2.602 10.966 411 HD2 PHE 50 2HD PHE 50 4.121 -6.472 9.212 412 HE1 PHE 50 1HE PHE 50 1.685 -3.187 11.941 413 HE2 PHE 50 2HE PHE 50 1.941 -7.061 10.186 414 HZ PHE 50 HZ PHE 50 0.721 -5.416 11.552 415 H ASP 51 H ASP 51 7.308 -6.463 9.413 416 HA ASP 51 HA ASP 51 6.181 -8.164 11.374 417 HB2 ASP 51 2HB ASP 51 8.150 -8.654 9.135 418 HB3 ASP 51 1HB ASP 51 7.659 -9.937 10.232 419 H ASN 52 H ASN 52 9.189 -6.525 11.128 420 HA ASN 52 HA ASN 52 10.573 -8.179 13.039 421 HB2 ASN 52 2HB ASN 52 11.783 -6.935 11.261 422 HB3 ASN 52 1HB ASN 52 11.305 -5.423 12.024 423 HD21 ASN 52 1HD2 ASN 52 12.302 -4.797 13.941 424 HD22 ASN 52 2HD2 ASN 52 13.733 -5.564 14.532 425 H ARG 53 H ARG 53 8.773 -5.147 13.098 426 HA ARG 53 HA ARG 53 9.553 -4.424 15.733 427 HB2 ARG 53 2HB ARG 53 7.392 -3.520 13.886 428 HB3 ARG 53 1HB ARG 53 7.314 -3.060 15.579 429 HG2 ARG 53 2HG ARG 53 9.591 -2.089 15.358 430 HG3 ARG 53 1HG ARG 53 9.515 -2.431 13.628 431 HD2 ARG 53 2HD ARG 53 8.897 -0.105 14.162 432 HD3 ARG 53 1HD ARG 53 7.591 -0.992 13.387 433 HE ARG 53 HE ARG 53 7.154 -1.273 16.089 434 HH11 ARG 53 1HH1 ARG 53 7.393 1.438 13.864 435 HH12 ARG 53 2HH1 ARG 53 6.321 2.441 14.770 436 HH21 ARG 53 1HH2 ARG 53 5.739 0.051 17.289 437 HH22 ARG 53 2HH2 ARG 53 5.370 1.651 16.741 438 H GLN 54 H GLN 54 6.823 -6.261 14.455 439 HA GLN 54 HA GLN 54 6.514 -7.517 17.001 440 HB2 GLN 54 2HB GLN 54 4.207 -6.885 17.427 441 HB3 GLN 54 1HB GLN 54 5.216 -5.451 17.373 442 HG2 GLN 54 2HG GLN 54 3.471 -4.690 16.151 443 HG3 GLN 54 1HG GLN 54 4.386 -5.442 14.844 444 HE21 GLN 54 1HE2 GLN 54 2.510 -5.741 13.629 445 HE22 GLN 54 2HE2 GLN 54 1.335 -6.947 14.021 446 H GLU 55 H GLU 55 5.466 -9.444 16.878 447 HA GLU 55 HA GLU 55 5.016 -10.378 14.166 448 HB2 GLU 55 2HB GLU 55 6.519 -11.631 15.691 449 HB3 GLU 55 1HB GLU 55 5.140 -11.958 16.728 450 HG2 GLU 55 2HG GLU 55 4.047 -13.121 14.854 451 HG3 GLU 55 1HG GLU 55 5.493 -12.857 13.883 452 H ALA 56 H ALA 56 3.063 -10.691 13.391 453 HA ALA 56 HA ALA 56 0.776 -10.428 15.155 454 HB1 ALA 56 1HB ALA 56 0.923 -10.618 12.145 455 HB2 ALA 56 2HB ALA 56 0.812 -9.127 13.079 456 HB3 ALA 56 3HB ALA 56 -0.527 -10.274 13.088 457 H ALA 57 H ALA 57 -0.968 -11.979 15.042 458 HA ALA 57 HA ALA 57 -0.030 -14.663 15.091 459 HB1 ALA 57 1HB ALA 57 -1.809 -13.883 16.582 460 HB2 ALA 57 2HB ALA 57 -2.339 -15.253 15.607 461 HB3 ALA 57 3HB ALA 57 -2.859 -13.621 15.190 462 H ASP 58 H ASP 58 -1.226 -16.408 13.868 463 HA ASP 58 HA ASP 58 -0.707 -16.107 11.131 464 HB2 ASP 58 2HB ASP 58 -1.782 -18.310 10.851 465 HB3 ASP 58 1HB ASP 58 -0.671 -18.297 12.216 466 H THR 59 H THR 59 -3.748 -15.994 12.915 467 HA THR 59 HA THR 59 -5.411 -15.777 10.638 468 HB THR 59 HB THR 59 -6.173 -14.623 13.292 469 HG1 THR 59 1HG THR 59 -5.512 -17.320 12.704 470 HG21 THR 59 1HG2 THR 59 -8.311 -15.709 12.761 471 HG22 THR 59 2HG2 THR 59 -7.603 -16.393 11.298 472 HG23 THR 59 3HG2 THR 59 -7.801 -14.648 11.448 473 H GLU 60 H GLU 60 -3.938 -13.437 12.833 474 HA GLU 60 HA GLU 60 -5.202 -11.137 11.792 475 HB2 GLU 60 2HB GLU 60 -2.770 -11.607 13.487 476 HB3 GLU 60 1HB GLU 60 -3.152 -9.994 12.909 477 HG2 GLU 60 2HG GLU 60 -3.943 -10.553 15.227 478 HG3 GLU 60 1HG GLU 60 -5.167 -9.921 14.131 479 H ALA 61 H ALA 61 -2.038 -12.607 11.157 480 HA ALA 61 HA ALA 61 -1.138 -10.595 9.394 481 HB1 ALA 61 1HB ALA 61 0.599 -12.176 8.758 482 HB2 ALA 61 2HB ALA 61 -0.289 -13.486 9.536 483 HB3 ALA 61 3HB ALA 61 0.374 -12.172 10.508 484 H ALA 62 H ALA 62 -2.772 -13.686 8.842 485 HA ALA 62 HA ALA 62 -2.620 -13.534 6.013 486 HB1 ALA 62 1HB ALA 62 -4.513 -15.145 7.713 487 HB2 ALA 62 2HB ALA 62 -2.894 -15.645 7.224 488 HB3 ALA 62 3HB ALA 62 -4.149 -15.409 6.006 489 H LYS 63 H LYS 63 -5.159 -12.694 8.348 490 HA LYS 63 HA LYS 63 -7.149 -12.154 6.424 491 HB2 LYS 63 2HB LYS 63 -7.607 -12.559 8.816 492 HB3 LYS 63 1HB LYS 63 -6.859 -11.021 9.211 493 HG2 LYS 63 2HG LYS 63 -8.597 -9.835 8.011 494 HG3 LYS 63 1HG LYS 63 -9.325 -11.366 7.515 495 HD2 LYS 63 2HD LYS 63 -9.750 -11.932 9.849 496 HD3 LYS 63 1HD LYS 63 -8.988 -10.427 10.363 497 HE2 LYS 63 2HE LYS 63 -10.713 -9.157 9.169 498 HE3 LYS 63 1HE LYS 63 -11.468 -10.667 8.663 499 HZ1 LYS 63 1HZ LYS 63 -12.593 -9.744 10.579 500 HZ2 LYS 63 2HZ LYS 63 -11.155 -9.738 11.467 501 HZ3 LYS 63 3HZ LYS 63 -11.846 -11.201 10.997 502 H GLN 64 H GLN 64 -4.811 -10.020 8.046 503 HA GLN 64 HA GLN 64 -5.774 -7.688 6.685 504 HB2 GLN 64 2HB GLN 64 -3.174 -8.097 8.171 505 HB3 GLN 64 1HB GLN 64 -3.835 -6.549 7.660 506 HG2 GLN 64 2HG GLN 64 -4.998 -8.433 9.699 507 HG3 GLN 64 1HG GLN 64 -4.256 -6.863 10.000 508 HE21 GLN 64 1HE2 GLN 64 -5.400 -5.002 9.497 509 HE22 GLN 64 2HE2 GLN 64 -7.106 -5.024 9.216 510 H GLY 65 H GLY 65 -3.104 -9.940 6.241 511 HA2 GLY 65 2HA GLY 65 -1.767 -8.512 4.209 512 HA3 GLY 65 1HA GLY 65 -1.619 -10.233 4.529 513 H ASP 66 H ASP 66 -4.219 -11.078 4.057 514 HA ASP 66 HA ASP 66 -4.189 -11.411 1.267 515 HB2 ASP 66 2HB ASP 66 -5.262 -12.961 2.916 516 HB3 ASP 66 1HB ASP 66 -6.556 -11.785 3.113 517 H GLN 67 H GLN 67 -6.020 -9.247 3.348 518 HA GLN 67 HA GLN 67 -7.714 -8.181 1.365 519 HB2 GLN 67 2HB GLN 67 -8.165 -7.932 3.758 520 HB3 GLN 67 1HB GLN 67 -6.724 -6.944 3.941 521 HG2 GLN 67 2HG GLN 67 -7.721 -5.262 2.443 522 HG3 GLN 67 1HG GLN 67 -9.182 -6.244 2.356 523 HE21 GLN 67 1HE2 GLN 67 -10.450 -4.649 3.246 524 HE22 GLN 67 2HE2 GLN 67 -10.368 -4.211 4.919 525 H TRP 68 H TRP 68 -4.536 -7.183 2.581 526 HA TRP 68 HA TRP 68 -4.388 -4.797 1.082 527 HB2 TRP 68 2HB TRP 68 -3.012 -5.025 3.017 528 HB3 TRP 68 1HB TRP 68 -2.294 -6.512 2.410 529 HD1 TRP 68 HD TRP 68 -0.061 -6.263 1.260 530 HE1 TRP 68 1HE TRP 68 1.322 -4.310 0.290 531 HE3 TRP 68 3HE TRP 68 -3.493 -2.526 1.773 532 HZ2 TRP 68 2HZ TRP 68 0.984 -1.545 -0.190 533 HZ3 TRP 68 3HZ TRP 68 -2.893 -0.257 1.036 534 HH2 TRP 68 HH TRP 68 -0.703 0.221 0.076 535 H VAL 69 H VAL 69 -3.052 -8.052 0.540 536 HA VAL 69 HA VAL 69 -1.766 -7.475 -1.891 537 HB VAL 69 HB VAL 69 -2.931 -10.126 -0.976 538 HG11 VAL 69 1HG1 VAL 69 -2.494 -10.109 -3.381 539 HG12 VAL 69 2HG1 VAL 69 -1.346 -11.149 -2.537 540 HG13 VAL 69 3HG1 VAL 69 -0.849 -9.547 -3.084 541 HG21 VAL 69 1HG2 VAL 69 -1.307 -9.230 0.606 542 HG22 VAL 69 2HG2 VAL 69 -0.143 -9.002 -0.699 543 HG23 VAL 69 3HG2 VAL 69 -0.646 -10.629 -0.240 544 H GLN 70 H GLN 70 -5.075 -8.476 -1.162 545 HA GLN 70 HA GLN 70 -5.943 -8.933 -3.789 546 HB2 GLN 70 2HB GLN 70 -7.241 -9.631 -1.840 547 HB3 GLN 70 1HB GLN 70 -7.497 -7.953 -1.387 548 HG2 GLN 70 2HG GLN 70 -8.748 -7.614 -3.488 549 HG3 GLN 70 1HG GLN 70 -8.549 -9.326 -3.847 550 HE21 GLN 70 1HE2 GLN 70 -10.985 -7.771 -3.451 551 HE22 GLN 70 2HE2 GLN 70 -11.831 -8.524 -2.143 552 H LEU 71 H LEU 71 -5.948 -5.993 -1.807 553 HA LEU 71 HA LEU 71 -7.298 -4.349 -3.639 554 HB2 LEU 71 2HB LEU 71 -5.301 -3.669 -1.490 555 HB3 LEU 71 1HB LEU 71 -6.179 -2.462 -2.407 556 HG LEU 71 HG LEU 71 -7.454 -4.542 -0.628 557 HD11 LEU 71 1HD1 LEU 71 -6.179 -2.919 0.663 558 HD12 LEU 71 2HD1 LEU 71 -7.912 -2.673 0.878 559 HD13 LEU 71 3HD1 LEU 71 -6.992 -1.599 -0.176 560 HD21 LEU 71 1HD2 LEU 71 -8.915 -3.872 -2.445 561 HD22 LEU 71 2HD2 LEU 71 -8.607 -2.172 -2.095 562 HD23 LEU 71 3HD2 LEU 71 -9.476 -3.167 -0.929 563 H PHE 72 H PHE 72 -3.837 -4.947 -3.184 564 HA PHE 72 HA PHE 72 -2.971 -3.072 -5.109 565 HB2 PHE 72 2HB PHE 72 -1.535 -4.083 -3.319 566 HB3 PHE 72 1HB PHE 72 -1.526 -5.583 -4.239 567 HD1 PHE 72 1HD PHE 72 -0.398 -2.085 -4.180 568 HD2 PHE 72 2HD PHE 72 -0.158 -5.830 -6.188 569 HE1 PHE 72 1HE PHE 72 1.538 -1.270 -5.458 570 HE2 PHE 72 2HE PHE 72 1.780 -5.020 -7.472 571 HZ PHE 72 HZ PHE 72 2.630 -2.738 -7.107 572 H GLN 73 H GLN 73 -3.571 -6.571 -5.318 573 HA GLN 73 HA GLN 73 -2.766 -6.861 -8.007 574 HB2 GLN 73 2HB GLN 73 -4.669 -8.504 -6.340 575 HB3 GLN 73 1HB GLN 73 -4.123 -8.966 -7.943 576 HG2 GLN 73 2HG GLN 73 -1.828 -9.050 -7.148 577 HG3 GLN 73 1HG GLN 73 -2.361 -8.551 -5.543 578 HE21 GLN 73 1HE2 GLN 73 -0.994 -10.974 -6.416 579 HE22 GLN 73 2HE2 GLN 73 -1.986 -12.296 -5.918 580 H ARG 74 H ARG 74 -5.960 -6.324 -6.557 581 HA ARG 74 HA ARG 74 -7.346 -6.525 -9.022 582 HB2 ARG 74 2HB ARG 74 -8.201 -5.292 -6.409 583 HB3 ARG 74 1HB ARG 74 -9.264 -5.544 -7.786 584 HG2 ARG 74 2HG ARG 74 -7.835 -7.696 -6.237 585 HG3 ARG 74 1HG ARG 74 -9.544 -7.289 -6.120 586 HD2 ARG 74 2HD ARG 74 -9.793 -7.863 -8.521 587 HD3 ARG 74 1HD ARG 74 -8.104 -8.366 -8.542 588 HE ARG 74 HE ARG 74 -9.704 -9.659 -6.529 589 HH11 ARG 74 1HH1 ARG 74 -8.624 -9.789 -9.876 590 HH12 ARG 74 2HH1 ARG 74 -8.858 -11.494 -10.008 591 HH21 ARG 74 1HH2 ARG 74 -10.024 -11.923 -6.719 592 HH22 ARG 74 2HH2 ARG 74 -9.652 -12.714 -8.209 593 H PHE 75 H PHE 75 -6.030 -3.764 -7.241 594 HA PHE 75 HA PHE 75 -7.305 -1.776 -8.761 595 HB2 PHE 75 2HB PHE 75 -6.223 -1.211 -6.670 596 HB3 PHE 75 1HB PHE 75 -4.657 -1.703 -7.304 597 HD1 PHE 75 1HD PHE 75 -7.408 0.732 -7.871 598 HD2 PHE 75 2HD PHE 75 -3.265 -0.138 -8.305 599 HE1 PHE 75 1HE PHE 75 -7.012 3.027 -8.658 600 HE2 PHE 75 2HE PHE 75 -2.862 2.157 -9.092 601 HZ PHE 75 HZ PHE 75 -4.735 3.742 -9.269 602 H ARG 76 H ARG 76 -4.084 -3.235 -9.162 603 HA ARG 76 HA ARG 76 -3.584 -1.774 -11.530 604 HB2 ARG 76 2HB ARG 76 -1.587 -3.049 -11.792 605 HB3 ARG 76 1HB ARG 76 -1.786 -2.701 -10.091 606 HG2 ARG 76 2HG ARG 76 -2.605 -4.992 -9.736 607 HG3 ARG 76 1HG ARG 76 -2.338 -5.330 -11.449 608 HD2 ARG 76 2HD ARG 76 -0.282 -4.665 -9.344 609 HD3 ARG 76 1HD ARG 76 -0.413 -6.139 -10.306 610 HE ARG 76 HE ARG 76 -0.084 -3.987 -12.059 611 HH11 ARG 76 1HH1 ARG 76 1.798 -5.706 -9.640 612 HH12 ARG 76 2HH1 ARG 76 3.323 -5.304 -10.346 613 HH21 ARG 76 1HH2 ARG 76 1.932 -3.424 -13.003 614 HH22 ARG 76 2HH2 ARG 76 3.399 -4.000 -12.281 615 H GLU 77 H GLU 77 -5.006 -4.905 -10.904 616 HA GLU 77 HA GLU 77 -5.086 -5.900 -13.532 617 HB2 GLU 77 2HB GLU 77 -5.547 -7.288 -11.572 618 HB3 GLU 77 1HB GLU 77 -6.988 -6.347 -11.224 619 HG2 GLU 77 2HG GLU 77 -7.982 -7.117 -13.327 620 HG3 GLU 77 1HG GLU 77 -6.544 -8.088 -13.636 621 H ALA 78 H ALA 78 -7.348 -3.865 -11.720 622 HA ALA 78 HA ALA 78 -9.371 -3.751 -13.663 623 HB1 ALA 78 1HB ALA 78 -9.735 -3.087 -11.344 624 HB2 ALA 78 2HB ALA 78 -10.186 -1.789 -12.451 625 HB3 ALA 78 3HB ALA 78 -8.663 -1.704 -11.564 626 H ILE 79 H ILE 79 -6.431 -1.863 -13.229 627 HA ILE 79 HA ILE 79 -6.941 0.175 -15.103 628 HB ILE 79 HB ILE 79 -4.276 -1.081 -14.371 629 HG12 ILE 79 2HG1 ILE 79 -5.641 1.394 -13.291 630 HG13 ILE 79 1HG1 ILE 79 -5.502 -0.142 -12.445 631 HG21 ILE 79 1HG2 ILE 79 -3.278 1.018 -15.175 632 HG22 ILE 79 2HG2 ILE 79 -4.868 1.563 -15.706 633 HG23 ILE 79 3HG2 ILE 79 -4.120 0.158 -16.464 634 HD11 ILE 79 1HD1 ILE 79 -3.224 1.649 -13.255 635 HD12 ILE 79 2HD1 ILE 79 -3.068 0.103 -12.423 636 HD13 ILE 79 3HD1 ILE 79 -3.876 1.453 -11.627 637 H ASP 80 H ASP 80 -5.676 -3.081 -15.438 638 HA ASP 80 HA ASP 80 -4.907 -2.981 -18.149 639 HB2 ASP 80 2HB ASP 80 -4.205 -4.778 -16.623 640 HB3 ASP 80 1HB ASP 80 -5.867 -5.338 -16.505 641 H LYS 81 H LYS 81 -7.984 -3.326 -16.600 642 HA LYS 81 HA LYS 81 -9.286 -4.144 -19.081 643 HB2 LYS 81 2HB LYS 81 -10.638 -3.617 -16.439 644 HB3 LYS 81 1HB LYS 81 -11.230 -4.579 -17.785 645 HG2 LYS 81 2HG LYS 81 -9.012 -5.263 -15.871 646 HG3 LYS 81 1HG LYS 81 -10.562 -6.082 -16.074 647 HD2 LYS 81 2HD LYS 81 -9.916 -6.843 -18.275 648 HD3 LYS 81 1HD LYS 81 -8.418 -5.916 -18.190 649 HE2 LYS 81 2HE LYS 81 -7.779 -7.282 -16.198 650 HE3 LYS 81 1HE LYS 81 -9.197 -8.285 -16.505 651 HZ1 LYS 81 1HZ LYS 81 -6.932 -7.847 -18.370 652 HZ2 LYS 81 2HZ LYS 81 -8.295 -8.799 -18.694 653 HZ3 LYS 81 3HZ LYS 81 -7.218 -9.257 -17.472 654 H GLY 82 H GLY 82 -8.490 -1.339 -17.406 655 HA2 GLY 82 2HA GLY 82 -8.920 0.864 -17.871 656 HA3 GLY 82 1HA GLY 82 -9.831 0.334 -19.277 657 H ASP 83 H ASP 83 -10.672 -0.933 -16.173 658 HA ASP 83 HA ASP 83 -13.249 0.369 -16.414 659 HB2 ASP 83 2HB ASP 83 -13.171 -2.052 -15.898 660 HB3 ASP 83 1HB ASP 83 -12.358 -1.685 -14.379 661 H LYS 84 H LYS 84 -12.877 2.448 -15.894 662 HA LYS 84 HA LYS 84 -11.426 3.312 -13.646 663 HB2 LYS 84 2HB LYS 84 -12.486 5.512 -14.030 664 HB3 LYS 84 1HB LYS 84 -11.783 4.826 -15.486 665 HG2 LYS 84 2HG LYS 84 -13.971 4.177 -16.281 666 HG3 LYS 84 1HG LYS 84 -14.711 4.744 -14.782 667 HD2 LYS 84 2HD LYS 84 -13.198 6.484 -16.733 668 HD3 LYS 84 1HD LYS 84 -14.955 6.353 -16.651 669 HE2 LYS 84 2HE LYS 84 -14.867 7.147 -14.310 670 HE3 LYS 84 1HE LYS 84 -13.126 7.346 -14.465 671 HZ1 LYS 84 1HZ LYS 84 -15.123 8.745 -16.146 672 HZ2 LYS 84 2HZ LYS 84 -13.455 9.022 -16.128 673 HZ3 LYS 84 3HZ LYS 84 -14.394 9.408 -14.782 674 H ASP 85 H ASP 85 -14.638 2.143 -14.001 675 HA ASP 85 HA ASP 85 -15.938 3.354 -11.844 676 HB2 ASP 85 2HB ASP 85 -17.153 2.023 -13.467 677 HB3 ASP 85 1HB ASP 85 -16.263 0.578 -13.006 678 H SER 86 H SER 86 -14.139 0.268 -11.936 679 HA SER 86 HA SER 86 -14.262 -0.099 -9.117 680 HB2 SER 86 2HB SER 86 -12.339 -1.305 -11.120 681 HB3 SER 86 1HB SER 86 -12.629 -1.888 -9.481 682 HG SER 86 HG SER 86 -14.343 -1.915 -11.721 683 H LEU 87 H LEU 87 -11.939 1.335 -11.324 684 HA LEU 87 HA LEU 87 -9.736 1.503 -9.616 685 HB2 LEU 87 2HB LEU 87 -10.529 3.243 -11.934 686 HB3 LEU 87 1HB LEU 87 -8.969 3.321 -11.142 687 HG LEU 87 HG LEU 87 -10.050 0.857 -12.505 688 HD11 LEU 87 1HD1 LEU 87 -9.646 2.637 -14.130 689 HD12 LEU 87 2HD1 LEU 87 -8.453 1.349 -14.278 690 HD13 LEU 87 3HD1 LEU 87 -8.023 2.860 -13.480 691 HD21 LEU 87 1HD2 LEU 87 -8.475 0.372 -10.747 692 HD22 LEU 87 2HD2 LEU 87 -7.346 1.557 -11.403 693 HD23 LEU 87 3HD2 LEU 87 -7.731 0.101 -12.323 694 H GLU 88 H GLU 88 -12.254 3.951 -10.241 695 HA GLU 88 HA GLU 88 -11.087 5.906 -8.597 696 HB2 GLU 88 2HB GLU 88 -13.978 5.556 -9.383 697 HB3 GLU 88 1HB GLU 88 -13.307 6.997 -8.631 698 HG2 GLU 88 2HG GLU 88 -11.713 7.098 -10.608 699 HG3 GLU 88 1HG GLU 88 -12.755 5.895 -11.365 700 H GLN 89 H GLN 89 -13.415 3.361 -7.891 701 HA GLN 89 HA GLN 89 -13.911 4.153 -5.214 702 HB2 GLN 89 2HB GLN 89 -15.386 2.665 -6.568 703 HB3 GLN 89 1HB GLN 89 -14.164 1.408 -6.451 704 HG2 GLN 89 2HG GLN 89 -14.415 1.400 -4.023 705 HG3 GLN 89 1HG GLN 89 -15.660 2.642 -4.155 706 HE21 GLN 89 1HE2 GLN 89 -15.886 -0.023 -3.044 707 HE22 GLN 89 2HE2 GLN 89 -17.110 -0.827 -3.959 708 H LEU 90 H LEU 90 -11.714 1.841 -6.735 709 HA LEU 90 HA LEU 90 -10.618 0.751 -4.405 710 HB2 LEU 90 2HB LEU 90 -9.481 0.997 -7.178 711 HB3 LEU 90 1HB LEU 90 -8.677 0.123 -5.888 712 HG LEU 90 HG LEU 90 -11.396 -0.544 -7.028 713 HD11 LEU 90 1HD1 LEU 90 -8.756 -1.957 -7.329 714 HD12 LEU 90 2HD1 LEU 90 -9.568 -1.013 -8.578 715 HD13 LEU 90 3HD1 LEU 90 -10.307 -2.495 -7.972 716 HD21 LEU 90 1HD2 LEU 90 -11.189 -2.597 -5.684 717 HD22 LEU 90 2HD2 LEU 90 -11.264 -1.149 -4.684 718 HD23 LEU 90 3HD2 LEU 90 -9.718 -1.955 -4.953 719 H LEU 91 H LEU 91 -9.807 3.690 -6.139 720 HA LEU 91 HA LEU 91 -7.308 4.219 -5.008 721 HB2 LEU 91 2HB LEU 91 -9.512 6.065 -5.899 722 HB3 LEU 91 1HB LEU 91 -7.979 6.665 -5.308 723 HG LEU 91 HG LEU 91 -8.283 4.866 -7.713 724 HD11 LEU 91 1HD1 LEU 91 -7.879 7.850 -7.550 725 HD12 LEU 91 2HD1 LEU 91 -9.334 7.027 -8.112 726 HD13 LEU 91 3HD1 LEU 91 -7.833 6.884 -9.025 727 HD21 LEU 91 1HD2 LEU 91 -5.942 6.440 -6.638 728 HD22 LEU 91 2HD2 LEU 91 -5.966 5.564 -8.166 729 HD23 LEU 91 3HD2 LEU 91 -6.104 4.684 -6.646 730 H GLU 92 H GLU 92 -10.546 4.981 -3.799 731 HA GLU 92 HA GLU 92 -9.611 6.301 -1.463 732 HB2 GLU 92 2HB GLU 92 -12.301 5.046 -2.014 733 HB3 GLU 92 1HB GLU 92 -11.936 6.152 -0.697 734 HG2 GLU 92 2HG GLU 92 -11.904 6.752 -3.641 735 HG3 GLU 92 1HG GLU 92 -13.027 7.370 -2.431 736 H GLU 93 H GLU 93 -10.590 3.016 -2.208 737 HA GLU 93 HA GLU 93 -10.539 1.955 0.392 738 HB2 GLU 93 2HB GLU 93 -9.851 0.581 -2.213 739 HB3 GLU 93 1HB GLU 93 -10.259 -0.226 -0.707 740 HG2 GLU 93 2HG GLU 93 -12.103 1.587 -2.245 741 HG3 GLU 93 1HG GLU 93 -12.115 -0.174 -2.318 742 H LEU 94 H LEU 94 -8.056 2.252 -2.077 743 HA LEU 94 HA LEU 94 -5.960 1.012 -0.651 744 HB2 LEU 94 2HB LEU 94 -6.009 1.363 -3.094 745 HB3 LEU 94 1HB LEU 94 -5.864 3.088 -2.840 746 HG LEU 94 HG LEU 94 -3.625 2.730 -1.851 747 HD11 LEU 94 1HD1 LEU 94 -4.067 -0.132 -2.692 748 HD12 LEU 94 2HD1 LEU 94 -3.917 0.458 -1.037 749 HD13 LEU 94 3HD1 LEU 94 -2.540 0.550 -2.134 750 HD21 LEU 94 1HD2 LEU 94 -2.508 2.190 -3.962 751 HD22 LEU 94 2HD2 LEU 94 -3.865 3.290 -4.206 752 HD23 LEU 94 3HD2 LEU 94 -4.032 1.581 -4.609 753 H GLU 95 H GLU 95 -7.055 4.354 -0.941 754 HA GLU 95 HA GLU 95 -4.973 5.627 0.436 755 HB2 GLU 95 2HB GLU 95 -6.708 6.773 -0.914 756 HB3 GLU 95 1HB GLU 95 -7.900 6.384 0.315 757 HG2 GLU 95 2HG GLU 95 -7.196 8.674 0.527 758 HG3 GLU 95 1HG GLU 95 -6.664 7.748 1.928 759 H GLN 96 H GLN 96 -8.087 4.360 1.600 760 HA GLN 96 HA GLN 96 -7.636 4.995 4.318 761 HB2 GLN 96 2HB GLN 96 -9.463 2.940 3.075 762 HB3 GLN 96 1HB GLN 96 -9.475 3.374 4.778 763 HG2 GLN 96 2HG GLN 96 -9.991 5.710 4.111 764 HG3 GLN 96 1HG GLN 96 -10.131 5.151 2.444 765 HE21 GLN 96 1HE2 GLN 96 -12.113 6.360 4.189 766 HE22 GLN 96 2HE2 GLN 96 -13.429 5.242 4.265 767 H ALA 97 H ALA 97 -6.890 2.192 2.354 768 HA ALA 97 HA ALA 97 -6.214 0.400 4.400 769 HB1 ALA 97 1HB ALA 97 -5.065 0.560 1.615 770 HB2 ALA 97 2HB ALA 97 -6.542 -0.288 2.073 771 HB3 ALA 97 3HB ALA 97 -4.984 -0.833 2.694 772 H LEU 98 H LEU 98 -4.343 2.909 2.783 773 HA LEU 98 HA LEU 98 -1.820 2.253 3.843 774 HB2 LEU 98 2HB LEU 98 -2.945 4.939 3.057 775 HB3 LEU 98 1HB LEU 98 -1.254 4.625 3.387 776 HG LEU 98 HG LEU 98 -2.854 3.400 1.144 777 HD11 LEU 98 1HD1 LEU 98 -1.465 4.798 -0.303 778 HD12 LEU 98 2HD1 LEU 98 -0.734 5.539 1.121 779 HD13 LEU 98 3HD1 LEU 98 -2.452 5.768 0.791 780 HD21 LEU 98 1HD2 LEU 98 -0.665 2.590 0.366 781 HD22 LEU 98 2HD2 LEU 98 -1.123 1.894 1.919 782 HD23 LEU 98 3HD2 LEU 98 0.071 3.193 1.851 783 H GLN 99 H GLN 99 -4.386 4.369 5.021 784 HA GLN 99 HA GLN 99 -2.995 5.209 7.358 785 HB2 GLN 99 2HB GLN 99 -5.980 5.137 6.877 786 HB3 GLN 99 1HB GLN 99 -5.136 6.103 8.079 787 HG2 GLN 99 2HG GLN 99 -4.919 6.410 5.090 788 HG3 GLN 99 1HG GLN 99 -5.832 7.450 6.180 789 HE21 GLN 99 1HE2 GLN 99 -4.713 8.819 7.577 790 HE22 GLN 99 2HE2 GLN 99 -3.066 9.261 7.294 791 H LYS 100 H LYS 100 -5.182 2.619 6.562 792 HA LYS 100 HA LYS 100 -5.780 1.642 9.115 793 HB2 LYS 100 2HB LYS 100 -6.935 1.018 7.013 794 HB3 LYS 100 1HB LYS 100 -5.507 0.129 6.514 795 HG2 LYS 100 2HG LYS 100 -5.809 -1.343 8.495 796 HG3 LYS 100 1HG LYS 100 -7.328 -0.503 8.823 797 HD2 LYS 100 2HD LYS 100 -8.100 -1.118 6.541 798 HD3 LYS 100 1HD LYS 100 -6.623 -2.057 6.334 799 HE2 LYS 100 2HE LYS 100 -8.415 -3.528 6.969 800 HE3 LYS 100 1HE LYS 100 -7.259 -3.415 8.293 801 HZ1 LYS 100 1HZ LYS 100 -9.799 -1.892 8.126 802 HZ2 LYS 100 2HZ LYS 100 -8.722 -1.890 9.428 803 HZ3 LYS 100 3HZ LYS 100 -9.571 -3.293 9.034 804 H ILE 101 H ILE 101 -3.185 0.771 6.843 805 HA ILE 101 HA ILE 101 -2.042 -1.197 8.545 806 HB ILE 101 HB ILE 101 -0.788 0.313 6.236 807 HG12 ILE 101 2HG1 ILE 101 -2.013 -2.452 6.393 808 HG13 ILE 101 1HG1 ILE 101 -2.742 -1.052 5.615 809 HG21 ILE 101 1HG2 ILE 101 0.158 -2.195 7.629 810 HG22 ILE 101 2HG2 ILE 101 0.895 -0.601 7.775 811 HG23 ILE 101 3HG2 ILE 101 0.909 -1.439 6.221 812 HD11 ILE 101 1HD1 ILE 101 -0.177 -2.393 4.788 813 HD12 ILE 101 2HD1 ILE 101 -0.916 -0.996 4.001 814 HD13 ILE 101 3HD1 ILE 101 -1.742 -2.554 3.990 815 H ARG 102 H ARG 102 -1.377 2.238 7.998 816 HA ARG 102 HA ARG 102 0.927 2.430 9.594 817 HB2 ARG 102 2HB ARG 102 -1.167 4.467 8.848 818 HB3 ARG 102 1HB ARG 102 0.239 4.878 9.820 819 HG2 ARG 102 2HG ARG 102 1.720 4.245 8.019 820 HG3 ARG 102 1HG ARG 102 0.351 3.689 7.054 821 HD2 ARG 102 2HD ARG 102 1.146 5.908 6.363 822 HD3 ARG 102 1HD ARG 102 -0.521 5.947 6.934 823 HE ARG 102 HE ARG 102 0.597 6.700 9.132 824 HH11 ARG 102 1HH1 ARG 102 1.733 7.563 5.915 825 HH12 ARG 102 2HH1 ARG 102 2.399 9.074 6.414 826 HH21 ARG 102 1HH2 ARG 102 1.462 8.709 9.792 827 HH22 ARG 102 2HH2 ARG 102 2.253 9.732 8.639 828 H GLU 103 H GLU 103 -2.520 2.662 10.428 829 HA GLU 103 HA GLU 103 -2.240 3.453 13.061 830 HB2 GLU 103 2HB GLU 103 -4.291 3.590 11.805 831 HB3 GLU 103 1HB GLU 103 -4.314 1.848 11.588 832 HG2 GLU 103 2HG GLU 103 -5.845 2.270 13.203 833 HG3 GLU 103 1HG GLU 103 -4.423 1.690 14.066 834 H LEU 104 H LEU 104 -2.356 0.276 11.513 835 HA LEU 104 HA LEU 104 -2.291 -1.230 13.920 836 HB2 LEU 104 2HB LEU 104 -1.596 -1.954 11.080 837 HB3 LEU 104 1HB LEU 104 -1.608 -3.110 12.396 838 HG LEU 104 HG LEU 104 -4.035 -1.530 11.549 839 HD11 LEU 104 1HD1 LEU 104 -3.286 -2.961 9.718 840 HD12 LEU 104 2HD1 LEU 104 -4.775 -3.571 10.438 841 HD13 LEU 104 3HD1 LEU 104 -3.235 -4.343 10.814 842 HD21 LEU 104 1HD2 LEU 104 -5.234 -3.231 12.836 843 HD22 LEU 104 2HD2 LEU 104 -4.084 -2.358 13.848 844 HD23 LEU 104 3HD2 LEU 104 -3.701 -3.981 13.278 845 H ALA 105 H ALA 105 0.189 0.082 11.815 846 HA ALA 105 HA ALA 105 2.317 -1.495 12.875 847 HB1 ALA 105 1HB ALA 105 2.394 1.061 11.288 848 HB2 ALA 105 2HB ALA 105 2.426 -0.578 10.635 849 HB3 ALA 105 3HB ALA 105 3.771 0.012 11.612 850 H GLU 106 H GLU 106 0.984 1.658 13.703 851 HA GLU 106 HA GLU 106 3.157 2.062 15.617 852 HB2 GLU 106 2HB GLU 106 2.238 4.271 15.989 853 HB3 GLU 106 1HB GLU 106 2.441 3.989 14.268 854 HG2 GLU 106 2HG GLU 106 0.110 3.695 13.955 855 HG3 GLU 106 1HG GLU 106 -0.179 3.634 15.693 856 H LYS 107 H LYS 107 -0.044 0.918 15.487 857 HA LYS 107 HA LYS 107 -0.217 0.928 18.409 858 HB2 LYS 107 2HB LYS 107 -1.457 2.830 17.510 859 HB3 LYS 107 1HB LYS 107 -2.386 1.753 16.486 860 HG2 LYS 107 2HG LYS 107 -3.254 0.674 18.569 861 HG3 LYS 107 1HG LYS 107 -2.459 1.963 19.484 862 HD2 LYS 107 2HD LYS 107 -4.596 2.295 17.376 863 HD3 LYS 107 1HD LYS 107 -4.779 2.556 19.111 864 HE2 LYS 107 2HE LYS 107 -3.286 4.438 19.044 865 HE3 LYS 107 1HE LYS 107 -2.858 4.100 17.371 866 HZ1 LYS 107 1HZ LYS 107 -5.535 4.932 18.327 867 HZ2 LYS 107 2HZ LYS 107 -5.116 4.604 16.717 868 HZ3 LYS 107 3HZ LYS 107 -4.414 5.914 17.530 869 H LYS 108 H LYS 108 0.112 -1.247 18.578 870 HA LYS 108 HA LYS 108 -1.386 -3.122 16.996 871 HB2 LYS 108 2HB LYS 108 0.861 -3.697 17.737 872 HB3 LYS 108 1HB LYS 108 0.392 -3.480 19.416 873 HG2 LYS 108 2HG LYS 108 0.527 -5.822 18.880 874 HG3 LYS 108 1HG LYS 108 -1.146 -5.381 19.219 875 HD2 LYS 108 2HD LYS 108 -1.613 -5.299 16.826 876 HD3 LYS 108 1HD LYS 108 0.072 -5.692 16.476 877 HE2 LYS 108 2HE LYS 108 -1.904 -7.440 17.945 878 HE3 LYS 108 1HE LYS 108 -1.334 -7.676 16.294 879 HZ1 LYS 108 1HZ LYS 108 0.306 -7.827 18.768 880 HZ2 LYS 108 2HZ LYS 108 0.930 -7.925 17.198 881 HZ3 LYS 108 3HZ LYS 108 -0.133 -9.115 17.759 882 H ASN 109 H ASN 109 -3.493 -3.370 17.374 883 HA ASN 109 HA ASN 109 -4.487 -2.908 20.066 884 HB2 ASN 109 2HB ASN 109 -6.699 -2.732 19.116 885 HB3 ASN 109 1HB ASN 109 -5.605 -1.757 18.147 886 HD21 ASN 109 1HD2 ASN 109 -7.782 -4.382 18.204 887 HD22 ASN 109 2HD2 ASN 109 -7.682 -4.790 16.527 Start of MODEL 8 1 H1 SER 1 1HT SER 1 15.734 7.807 12.316 2 H2 SER 1 2HT SER 1 17.306 7.722 11.703 3 H3 SER 1 3HT SER 1 16.976 7.165 13.261 4 HA SER 1 HA SER 1 15.847 6.039 10.790 5 HB2 SER 1 2HB SER 1 18.075 4.928 12.510 6 HB3 SER 1 1HB SER 1 17.410 4.195 11.050 7 HG SER 1 HG SER 1 19.264 6.174 11.317 8 H GLU 2 H GLU 2 16.544 5.365 14.258 9 HA GLU 2 HA GLU 2 14.749 3.234 14.489 10 HB2 GLU 2 2HB GLU 2 14.846 3.638 16.929 11 HB3 GLU 2 1HB GLU 2 16.434 3.630 16.182 12 HG2 GLU 2 2HG GLU 2 16.431 6.091 16.213 13 HG3 GLU 2 1HG GLU 2 14.867 6.056 17.025 14 H PHE 3 H PHE 3 12.627 3.084 14.569 15 HA PHE 3 HA PHE 3 10.416 3.555 14.687 16 HB2 PHE 3 2HB PHE 3 10.885 4.686 16.841 17 HB3 PHE 3 1HB PHE 3 11.219 6.181 15.976 18 HD1 PHE 3 1HD PHE 3 8.576 3.727 16.781 19 HD2 PHE 3 2HD PHE 3 9.472 7.626 15.334 20 HE1 PHE 3 1HE PHE 3 6.194 4.321 16.919 21 HE2 PHE 3 2HE PHE 3 7.092 8.228 15.471 22 HZ PHE 3 HZ PHE 3 5.449 6.575 16.265 23 H GLU 4 H GLU 4 12.431 6.194 13.579 24 HA GLU 4 HA GLU 4 10.629 7.535 11.923 25 HB2 GLU 4 2HB GLU 4 12.749 8.510 12.479 26 HB3 GLU 4 1HB GLU 4 13.619 7.166 11.759 27 HG2 GLU 4 2HG GLU 4 12.735 7.854 9.548 28 HG3 GLU 4 1HG GLU 4 12.017 9.267 10.324 29 H LYS 5 H LYS 5 12.723 4.757 11.285 30 HA LYS 5 HA LYS 5 12.273 4.559 8.521 31 HB2 LYS 5 2HB LYS 5 13.097 2.242 8.744 32 HB3 LYS 5 1HB LYS 5 14.114 3.397 9.592 33 HG2 LYS 5 2HG LYS 5 12.893 2.763 11.701 34 HG3 LYS 5 1HG LYS 5 12.148 1.455 10.782 35 HD2 LYS 5 2HD LYS 5 15.122 1.859 11.122 36 HD3 LYS 5 1HD LYS 5 14.145 0.736 12.064 37 HE2 LYS 5 2HE LYS 5 13.563 -0.479 10.026 38 HE3 LYS 5 1HE LYS 5 14.505 0.662 9.067 39 HZ1 LYS 5 1HZ LYS 5 16.493 -0.046 10.225 40 HZ2 LYS 5 2HZ LYS 5 15.733 -1.378 9.516 41 HZ3 LYS 5 3HZ LYS 5 15.597 -1.114 11.181 42 H LEU 6 H LEU 6 10.375 3.530 11.240 43 HA LEU 6 HA LEU 6 8.676 1.737 9.813 44 HB2 LEU 6 2HB LEU 6 8.129 3.238 12.374 45 HB3 LEU 6 1HB LEU 6 7.259 1.835 11.790 46 HG LEU 6 HG LEU 6 10.154 1.843 12.652 47 HD11 LEU 6 1HD1 LEU 6 9.367 0.608 14.601 48 HD12 LEU 6 2HD1 LEU 6 7.701 0.795 14.055 49 HD13 LEU 6 3HD1 LEU 6 8.638 2.212 14.527 50 HD21 LEU 6 1HD2 LEU 6 9.677 0.159 10.956 51 HD22 LEU 6 2HD2 LEU 6 8.311 -0.426 11.905 52 HD23 LEU 6 3HD2 LEU 6 9.953 -0.592 12.527 53 H ARG 7 H ARG 7 8.495 5.096 10.826 54 HA ARG 7 HA ARG 7 5.889 5.577 9.821 55 HB2 ARG 7 2HB ARG 7 6.860 6.940 11.588 56 HB3 ARG 7 1HB ARG 7 8.125 7.487 10.498 57 HG2 ARG 7 2HG ARG 7 6.369 8.527 9.079 58 HG3 ARG 7 1HG ARG 7 5.184 8.093 10.313 59 HD2 ARG 7 2HD ARG 7 5.854 10.372 10.652 60 HD3 ARG 7 1HD ARG 7 6.508 9.386 11.960 61 HE ARG 7 HE ARG 7 8.187 10.023 9.637 62 HH11 ARG 7 1HH1 ARG 7 7.539 10.322 13.083 63 HH12 ARG 7 2HH1 ARG 7 9.081 11.014 13.435 64 HH21 ARG 7 1HH2 ARG 7 10.223 10.957 10.115 65 HH22 ARG 7 2HH2 ARG 7 10.615 11.377 11.746 66 H GLN 8 H GLN 8 9.146 6.267 8.565 67 HA GLN 8 HA GLN 8 8.246 7.711 6.329 68 HB2 GLN 8 2HB GLN 8 10.871 6.275 6.709 69 HB3 GLN 8 1HB GLN 8 10.524 7.428 5.428 70 HG2 GLN 8 2HG GLN 8 10.745 7.939 8.378 71 HG3 GLN 8 1HG GLN 8 11.725 8.608 7.075 72 HE21 GLN 8 1HE2 GLN 8 10.872 10.273 5.810 73 HE22 GLN 8 2HE2 GLN 8 9.494 11.188 6.311 74 H THR 9 H THR 9 8.966 4.270 6.716 75 HA THR 9 HA THR 9 8.739 3.581 4.003 76 HB THR 9 HB THR 9 8.111 1.900 6.442 77 HG1 THR 9 1HG THR 9 10.239 2.324 6.566 78 HG21 THR 9 1HG2 THR 9 8.474 -0.028 4.955 79 HG22 THR 9 2HG2 THR 9 8.655 1.067 3.584 80 HG23 THR 9 3HG2 THR 9 7.106 0.948 4.418 81 H GLY 10 H GLY 10 6.299 3.670 6.595 82 HA2 GLY 10 2HA GLY 10 4.119 2.837 4.997 83 HA3 GLY 10 1HA GLY 10 4.002 3.747 6.500 84 H ASP 11 H ASP 11 5.469 5.981 5.760 85 HA ASP 11 HA ASP 11 3.535 7.570 4.487 86 HB2 ASP 11 2HB ASP 11 5.096 8.499 6.096 87 HB3 ASP 11 1HB ASP 11 6.456 8.096 5.059 88 H GLU 12 H GLU 12 6.471 5.993 3.270 89 HA GLU 12 HA GLU 12 6.578 7.193 0.731 90 HB2 GLU 12 2HB GLU 12 7.402 4.427 1.634 91 HB3 GLU 12 1HB GLU 12 7.696 5.024 0.011 92 HG2 GLU 12 2HG GLU 12 9.046 6.856 0.977 93 HG3 GLU 12 1HG GLU 12 8.808 6.144 2.573 94 H LEU 13 H LEU 13 4.811 4.383 1.914 95 HA LEU 13 HA LEU 13 3.696 3.527 -0.509 96 HB2 LEU 13 2HB LEU 13 2.780 3.316 2.346 97 HB3 LEU 13 1HB LEU 13 1.828 2.667 1.029 98 HG LEU 13 HG LEU 13 4.676 1.823 1.524 99 HD11 LEU 13 1HD1 LEU 13 2.132 0.538 2.516 100 HD12 LEU 13 2HD1 LEU 13 3.351 1.325 3.517 101 HD13 LEU 13 3HD1 LEU 13 3.751 -0.150 2.639 102 HD21 LEU 13 1HD2 LEU 13 3.991 -0.116 0.190 103 HD22 LEU 13 2HD2 LEU 13 3.794 1.388 -0.710 104 HD23 LEU 13 3HD2 LEU 13 2.387 0.589 -0.009 105 H VAL 14 H VAL 14 2.466 5.770 1.938 106 HA VAL 14 HA VAL 14 0.017 6.330 0.710 107 HB VAL 14 HB VAL 14 1.649 8.222 2.420 108 HG11 VAL 14 1HG1 VAL 14 -0.527 9.192 3.001 109 HG12 VAL 14 2HG1 VAL 14 -1.314 8.093 1.869 110 HG13 VAL 14 3HG1 VAL 14 -0.195 9.320 1.274 111 HG21 VAL 14 1HG2 VAL 14 -0.397 6.166 3.258 112 HG22 VAL 14 2HG2 VAL 14 0.409 7.319 4.321 113 HG23 VAL 14 3HG2 VAL 14 1.343 6.054 3.522 114 H GLN 15 H GLN 15 3.166 7.966 0.424 115 HA GLN 15 HA GLN 15 2.281 9.997 -1.330 116 HB2 GLN 15 2HB GLN 15 5.052 8.829 -1.042 117 HB3 GLN 15 1HB GLN 15 4.664 10.313 -1.893 118 HG2 GLN 15 2HG GLN 15 3.737 11.155 0.319 119 HG3 GLN 15 1HG GLN 15 4.541 9.766 1.052 120 HE21 GLN 15 1HE2 GLN 15 6.020 10.980 2.217 121 HE22 GLN 15 2HE2 GLN 15 7.293 11.866 1.449 122 H ALA 16 H ALA 16 3.560 6.760 -1.904 123 HA ALA 16 HA ALA 16 3.901 7.008 -4.692 124 HB1 ALA 16 1HB ALA 16 4.924 5.220 -3.365 125 HB2 ALA 16 2HB ALA 16 4.000 4.580 -4.724 126 HB3 ALA 16 3HB ALA 16 3.330 4.516 -3.094 127 H PHE 17 H PHE 17 1.185 5.801 -2.764 128 HA PHE 17 HA PHE 17 -0.401 5.193 -5.019 129 HB2 PHE 17 2HB PHE 17 -1.000 5.440 -2.097 130 HB3 PHE 17 1HB PHE 17 -2.309 5.249 -3.262 131 HD1 PHE 17 1HD PHE 17 0.438 3.603 -1.547 132 HD2 PHE 17 2HD PHE 17 -2.439 3.224 -4.655 133 HE1 PHE 17 1HE PHE 17 0.819 1.175 -1.601 134 HE2 PHE 17 2HE PHE 17 -2.063 0.794 -4.711 135 HZ PHE 17 HZ PHE 17 -0.433 -0.232 -3.183 136 H GLN 18 H GLN 18 -0.127 8.100 -3.030 137 HA GLN 18 HA GLN 18 -2.284 9.491 -4.162 138 HB2 GLN 18 2HB GLN 18 0.321 10.502 -3.020 139 HB3 GLN 18 1HB GLN 18 -0.998 11.552 -3.507 140 HG2 GLN 18 2HG GLN 18 -1.063 9.472 -1.341 141 HG3 GLN 18 1HG GLN 18 -1.051 11.221 -1.131 142 HE21 GLN 18 1HE2 GLN 18 -2.972 9.255 -0.227 143 HE22 GLN 18 2HE2 GLN 18 -4.507 9.725 -0.879 144 H ARG 19 H ARG 19 1.094 9.189 -5.165 145 HA ARG 19 HA ARG 19 0.890 10.897 -7.422 146 HB2 ARG 19 2HB ARG 19 2.814 8.705 -6.669 147 HB3 ARG 19 1HB ARG 19 2.943 9.562 -8.198 148 HG2 ARG 19 2HG ARG 19 3.275 11.656 -7.041 149 HG3 ARG 19 1HG ARG 19 3.023 10.863 -5.484 150 HD2 ARG 19 2HD ARG 19 5.205 10.068 -7.399 151 HD3 ARG 19 1HD ARG 19 5.428 11.286 -6.148 152 HE ARG 19 HE ARG 19 4.772 9.466 -4.552 153 HH11 ARG 19 1HH1 ARG 19 6.214 8.641 -7.653 154 HH12 ARG 19 2HH1 ARG 19 7.004 7.222 -7.049 155 HH21 ARG 19 1HH2 ARG 19 5.847 7.576 -3.766 156 HH22 ARG 19 2HH2 ARG 19 6.797 6.611 -4.852 157 H LEU 20 H LEU 20 0.380 7.466 -6.908 158 HA LEU 20 HA LEU 20 0.075 6.651 -9.567 159 HB2 LEU 20 2HB LEU 20 0.313 5.083 -7.716 160 HB3 LEU 20 1HB LEU 20 -1.226 5.592 -7.060 161 HG LEU 20 HG LEU 20 -2.388 4.639 -8.996 162 HD11 LEU 20 1HD1 LEU 20 -1.180 3.250 -10.604 163 HD12 LEU 20 2HD1 LEU 20 0.350 3.736 -9.875 164 HD13 LEU 20 3HD1 LEU 20 -0.662 4.934 -10.681 165 HD21 LEU 20 1HD2 LEU 20 -0.481 2.745 -7.629 166 HD22 LEU 20 2HD2 LEU 20 -1.931 2.268 -8.509 167 HD23 LEU 20 3HD2 LEU 20 -2.069 3.243 -7.045 168 H ARG 21 H ARG 21 -2.209 8.045 -7.275 169 HA ARG 21 HA ARG 21 -4.573 7.750 -8.743 170 HB2 ARG 21 2HB ARG 21 -4.426 8.565 -6.392 171 HB3 ARG 21 1HB ARG 21 -3.833 10.102 -7.008 172 HG2 ARG 21 2HG ARG 21 -5.961 10.192 -8.390 173 HG3 ARG 21 1HG ARG 21 -6.540 8.872 -7.375 174 HD2 ARG 21 2HD ARG 21 -5.586 11.543 -6.397 175 HD3 ARG 21 1HD ARG 21 -7.274 11.080 -6.591 176 HE ARG 21 HE ARG 21 -5.401 10.056 -4.575 177 HH11 ARG 21 1HH1 ARG 21 -8.669 10.205 -5.864 178 HH12 ARG 21 2HH1 ARG 21 -9.412 9.660 -4.402 179 HH21 ARG 21 1HH2 ARG 21 -6.409 9.318 -2.606 180 HH22 ARG 21 2HH2 ARG 21 -8.122 9.141 -2.566 181 H GLU 22 H GLU 22 -2.121 10.298 -8.810 182 HA GLU 22 HA GLU 22 -3.403 11.941 -10.715 183 HB2 GLU 22 2HB GLU 22 -0.494 11.669 -9.979 184 HB3 GLU 22 1HB GLU 22 -1.125 12.914 -11.041 185 HG2 GLU 22 2HG GLU 22 -2.581 13.670 -9.171 186 HG3 GLU 22 1HG GLU 22 -1.743 12.515 -8.132 187 H ILE 23 H ILE 23 -0.982 9.389 -11.002 188 HA ILE 23 HA ILE 23 -0.529 9.594 -13.760 189 HB ILE 23 HB ILE 23 -0.366 7.164 -11.962 190 HG12 ILE 23 2HG1 ILE 23 1.770 9.078 -12.930 191 HG13 ILE 23 1HG1 ILE 23 1.086 9.049 -11.309 192 HG21 ILE 23 1HG2 ILE 23 1.097 6.212 -13.687 193 HG22 ILE 23 2HG2 ILE 23 0.753 7.595 -14.726 194 HG23 ILE 23 3HG2 ILE 23 -0.540 6.481 -14.284 195 HD11 ILE 23 1HD1 ILE 23 3.259 7.972 -11.378 196 HD12 ILE 23 2HD1 ILE 23 2.672 6.839 -12.596 197 HD13 ILE 23 3HD1 ILE 23 1.996 6.812 -10.969 198 H PHE 24 H PHE 24 -2.820 7.598 -11.931 199 HA PHE 24 HA PHE 24 -4.072 6.406 -14.156 200 HB2 PHE 24 2HB PHE 24 -4.411 5.404 -12.014 201 HB3 PHE 24 1HB PHE 24 -5.011 6.911 -11.328 202 HD1 PHE 24 1HD PHE 24 -5.814 4.497 -14.059 203 HD2 PHE 24 2HD PHE 24 -7.283 7.171 -11.090 204 HE1 PHE 24 1HE PHE 24 -8.117 3.832 -14.601 205 HE2 PHE 24 2HE PHE 24 -9.589 6.507 -11.626 206 HZ PHE 24 HZ PHE 24 -10.009 4.836 -13.384 207 H ASP 25 H ASP 25 -4.664 9.388 -12.398 208 HA ASP 25 HA ASP 25 -7.116 10.114 -13.547 209 HB2 ASP 25 2HB ASP 25 -6.314 11.243 -11.582 210 HB3 ASP 25 1HB ASP 25 -4.864 11.781 -12.420 211 H LYS 26 H LYS 26 -3.812 10.570 -14.644 212 HA LYS 26 HA LYS 26 -4.705 12.126 -16.926 213 HB2 LYS 26 2HB LYS 26 -1.942 11.197 -16.125 214 HB3 LYS 26 1HB LYS 26 -2.291 12.226 -17.508 215 HG2 LYS 26 2HG LYS 26 -2.792 12.907 -14.612 216 HG3 LYS 26 1HG LYS 26 -1.503 13.550 -15.632 217 HD2 LYS 26 2HD LYS 26 -3.174 14.574 -17.100 218 HD3 LYS 26 1HD LYS 26 -4.465 13.913 -16.099 219 HE2 LYS 26 2HE LYS 26 -2.371 15.889 -15.198 220 HE3 LYS 26 1HE LYS 26 -4.044 16.274 -15.600 221 HZ1 LYS 26 1HZ LYS 26 -3.836 16.092 -13.245 222 HZ2 LYS 26 2HZ LYS 26 -3.093 14.586 -13.354 223 HZ3 LYS 26 3HZ LYS 26 -4.726 14.748 -13.776 224 H GLY 27 H GLY 27 -4.174 8.873 -16.142 225 HA2 GLY 27 2HA GLY 27 -4.638 7.002 -17.415 226 HA3 GLY 27 1HA GLY 27 -4.937 8.055 -18.789 227 H ASP 28 H ASP 28 -1.962 8.219 -17.001 228 HA ASP 28 HA ASP 28 -0.523 7.492 -19.419 229 HB2 ASP 28 2HB ASP 28 0.130 9.480 -18.008 230 HB3 ASP 28 1HB ASP 28 0.633 8.351 -16.757 231 H ASP 29 H ASP 29 -0.837 5.307 -19.605 232 HA ASP 29 HA ASP 29 -0.603 3.435 -17.508 233 HB2 ASP 29 2HB ASP 29 -0.619 1.733 -19.232 234 HB3 ASP 29 1HB ASP 29 -1.773 2.992 -19.657 235 H ASP 30 H ASP 30 1.720 4.938 -19.567 236 HA ASP 30 HA ASP 30 3.842 3.129 -19.408 237 HB2 ASP 30 2HB ASP 30 3.885 4.945 -20.983 238 HB3 ASP 30 1HB ASP 30 3.805 6.134 -19.689 239 H SER 31 H SER 31 3.177 5.995 -17.413 240 HA SER 31 HA SER 31 5.274 5.462 -15.561 241 HB2 SER 31 2HB SER 31 2.860 7.246 -15.202 242 HB3 SER 31 1HB SER 31 4.370 7.318 -14.293 243 HG SER 31 HG SER 31 3.889 7.946 -17.010 244 H LEU 32 H LEU 32 1.918 4.576 -15.778 245 HA LEU 32 HA LEU 32 1.380 4.002 -13.091 246 HB2 LEU 32 2HB LEU 32 -0.146 4.112 -15.229 247 HB3 LEU 32 1HB LEU 32 0.182 2.396 -15.321 248 HG LEU 32 HG LEU 32 -1.043 3.708 -12.891 249 HD11 LEU 32 1HD1 LEU 32 -3.194 2.885 -13.712 250 HD12 LEU 32 2HD1 LEU 32 -2.421 2.362 -15.208 251 HD13 LEU 32 3HD1 LEU 32 -2.492 4.078 -14.805 252 HD21 LEU 32 1HD2 LEU 32 -0.001 1.527 -12.499 253 HD22 LEU 32 2HD2 LEU 32 -0.961 0.832 -13.805 254 HD23 LEU 32 3HD2 LEU 32 -1.756 1.440 -12.353 255 H GLU 33 H GLU 33 2.651 1.921 -15.685 256 HA GLU 33 HA GLU 33 2.758 -0.487 -14.273 257 HB2 GLU 33 2HB GLU 33 4.610 0.532 -16.425 258 HB3 GLU 33 1HB GLU 33 4.556 -1.131 -15.865 259 HG2 GLU 33 2HG GLU 33 2.220 -1.281 -16.606 260 HG3 GLU 33 1HG GLU 33 2.329 0.371 -17.216 261 H GLN 34 H GLN 34 4.992 2.217 -14.309 262 HA GLN 34 HA GLN 34 7.181 0.981 -13.034 263 HB2 GLN 34 2HB GLN 34 6.414 3.900 -12.880 264 HB3 GLN 34 1HB GLN 34 8.013 3.214 -12.639 265 HG2 GLN 34 2HG GLN 34 6.470 3.253 -15.225 266 HG3 GLN 34 1HG GLN 34 7.833 4.288 -14.807 267 HE21 GLN 34 1HE2 GLN 34 7.495 2.404 -17.000 268 HE22 GLN 34 2HE2 GLN 34 8.801 1.281 -16.881 269 H VAL 35 H VAL 35 4.304 2.562 -11.809 270 HA VAL 35 HA VAL 35 5.104 2.855 -9.139 271 HB VAL 35 HB VAL 35 2.298 2.497 -10.209 272 HG11 VAL 35 1HG1 VAL 35 1.602 3.661 -8.167 273 HG12 VAL 35 2HG1 VAL 35 3.271 3.663 -7.601 274 HG13 VAL 35 3HG1 VAL 35 2.408 2.138 -7.800 275 HG21 VAL 35 1HG2 VAL 35 3.907 4.989 -9.687 276 HG22 VAL 35 2HG2 VAL 35 2.211 4.938 -10.168 277 HG23 VAL 35 3HG2 VAL 35 3.458 4.349 -11.268 278 H LEU 36 H LEU 36 3.627 0.112 -10.823 279 HA LEU 36 HA LEU 36 2.928 -1.404 -8.565 280 HB2 LEU 36 2HB LEU 36 3.639 -2.165 -11.382 281 HB3 LEU 36 1HB LEU 36 3.345 -3.400 -10.178 282 HG LEU 36 HG LEU 36 1.064 -2.410 -9.830 283 HD11 LEU 36 1HD1 LEU 36 1.476 -0.181 -10.679 284 HD12 LEU 36 2HD1 LEU 36 0.158 -0.956 -11.557 285 HD13 LEU 36 3HD1 LEU 36 1.756 -0.833 -12.293 286 HD21 LEU 36 1HD2 LEU 36 0.123 -3.385 -11.867 287 HD22 LEU 36 2HD2 LEU 36 1.400 -4.395 -11.190 288 HD23 LEU 36 3HD2 LEU 36 1.726 -3.388 -12.601 289 H GLU 37 H GLU 37 5.964 -1.091 -10.281 290 HA GLU 37 HA GLU 37 7.324 -3.142 -8.876 291 HB2 GLU 37 2HB GLU 37 8.298 -0.765 -10.449 292 HB3 GLU 37 1HB GLU 37 9.380 -1.950 -9.732 293 HG2 GLU 37 2HG GLU 37 7.249 -2.536 -11.773 294 HG3 GLU 37 1HG GLU 37 8.975 -2.388 -12.100 295 H GLU 38 H GLU 38 7.053 0.372 -8.423 296 HA GLU 38 HA GLU 38 8.877 0.563 -6.333 297 HB2 GLU 38 2HB GLU 38 8.042 2.410 -7.789 298 HB3 GLU 38 1HB GLU 38 6.508 2.325 -6.931 299 HG2 GLU 38 2HG GLU 38 7.665 2.791 -4.867 300 HG3 GLU 38 1HG GLU 38 9.175 2.941 -5.762 301 H ILE 39 H ILE 39 5.371 0.116 -6.428 302 HA ILE 39 HA ILE 39 4.876 0.329 -3.677 303 HB ILE 39 HB ILE 39 3.397 -1.322 -5.747 304 HG12 ILE 39 2HG1 ILE 39 3.418 1.043 -6.300 305 HG13 ILE 39 1HG1 ILE 39 1.809 0.571 -5.766 306 HG21 ILE 39 1HG2 ILE 39 2.899 -2.103 -3.489 307 HG22 ILE 39 2HG2 ILE 39 1.505 -1.294 -4.205 308 HG23 ILE 39 3HG2 ILE 39 2.488 -0.457 -3.004 309 HD11 ILE 39 1HD1 ILE 39 2.298 1.531 -3.555 310 HD12 ILE 39 2HD1 ILE 39 2.390 2.717 -4.856 311 HD13 ILE 39 3HD1 ILE 39 3.870 2.061 -4.157 312 H GLU 40 H GLU 40 5.914 -2.376 -5.662 313 HA GLU 40 HA GLU 40 5.542 -4.460 -3.821 314 HB2 GLU 40 2HB GLU 40 6.057 -4.776 -6.231 315 HB3 GLU 40 1HB GLU 40 7.691 -4.202 -5.939 316 HG2 GLU 40 2HG GLU 40 7.746 -6.579 -6.062 317 HG3 GLU 40 1HG GLU 40 8.022 -6.114 -4.384 318 H GLU 41 H GLU 41 8.332 -2.364 -4.430 319 HA GLU 41 HA GLU 41 10.144 -3.507 -2.648 320 HB2 GLU 41 2HB GLU 41 9.920 -0.573 -3.299 321 HB3 GLU 41 1HB GLU 41 11.360 -1.460 -2.832 322 HG2 GLU 41 2HG GLU 41 11.359 -2.653 -4.923 323 HG3 GLU 41 1HG GLU 41 9.835 -1.896 -5.385 324 H LEU 42 H LEU 42 7.811 -0.899 -2.214 325 HA LEU 42 HA LEU 42 8.521 -0.250 0.434 326 HB2 LEU 42 2HB LEU 42 5.900 0.185 -0.978 327 HB3 LEU 42 1HB LEU 42 6.436 1.005 0.476 328 HG LEU 42 HG LEU 42 7.749 1.233 -2.231 329 HD11 LEU 42 1HD1 LEU 42 5.566 2.290 -2.209 330 HD12 LEU 42 2HD1 LEU 42 6.845 3.504 -2.242 331 HD13 LEU 42 3HD1 LEU 42 5.988 3.166 -0.738 332 HD21 LEU 42 1HD2 LEU 42 8.995 3.080 -1.183 333 HD22 LEU 42 2HD2 LEU 42 9.348 1.521 -0.440 334 HD23 LEU 42 3HD2 LEU 42 8.274 2.662 0.371 335 H ILE 43 H ILE 43 6.062 -2.432 -0.889 336 HA ILE 43 HA ILE 43 4.804 -3.046 1.563 337 HB ILE 43 HB ILE 43 5.029 -4.713 -0.957 338 HG12 ILE 43 2HG1 ILE 43 2.766 -2.999 0.093 339 HG13 ILE 43 1HG1 ILE 43 3.875 -2.532 -1.192 340 HG21 ILE 43 1HG2 ILE 43 3.216 -5.097 1.430 341 HG22 ILE 43 2HG2 ILE 43 4.542 -6.155 0.947 342 HG23 ILE 43 3HG2 ILE 43 3.120 -5.997 -0.084 343 HD11 ILE 43 1HD1 ILE 43 1.723 -3.308 -2.049 344 HD12 ILE 43 2HD1 ILE 43 1.992 -4.877 -1.287 345 HD13 ILE 43 3HD1 ILE 43 3.056 -4.330 -2.583 346 H GLN 44 H GLN 44 7.500 -4.566 -0.152 347 HA GLN 44 HA GLN 44 7.851 -6.709 1.632 348 HB2 GLN 44 2HB GLN 44 9.934 -5.358 -0.090 349 HB3 GLN 44 1HB GLN 44 10.091 -6.939 0.662 350 HG2 GLN 44 2HG GLN 44 8.212 -6.128 -1.539 351 HG3 GLN 44 1HG GLN 44 9.546 -7.278 -1.619 352 HE21 GLN 44 1HE2 GLN 44 6.702 -7.615 -2.245 353 HE22 GLN 44 2HE2 GLN 44 6.168 -8.926 -1.248 354 H LYS 45 H LYS 45 9.085 -3.417 1.636 355 HA LYS 45 HA LYS 45 10.909 -3.671 3.756 356 HB2 LYS 45 2HB LYS 45 9.253 -1.320 2.849 357 HB3 LYS 45 1HB LYS 45 10.452 -1.218 4.126 358 HG2 LYS 45 2HG LYS 45 12.191 -1.881 2.532 359 HG3 LYS 45 1HG LYS 45 10.975 -1.952 1.254 360 HD2 LYS 45 2HD LYS 45 12.220 0.168 1.216 361 HD3 LYS 45 1HD LYS 45 10.504 0.421 1.537 362 HE2 LYS 45 2HE LYS 45 10.977 0.638 3.930 363 HE3 LYS 45 1HE LYS 45 12.687 0.346 3.625 364 HZ1 LYS 45 1HZ LYS 45 12.805 2.379 2.388 365 HZ2 LYS 45 2HZ LYS 45 12.137 2.697 3.905 366 HZ3 LYS 45 3HZ LYS 45 11.141 2.654 2.545 367 H HIS 46 H HIS 46 7.452 -2.895 3.718 368 HA HIS 46 HA HIS 46 7.192 -2.435 6.476 369 HB2 HIS 46 2HB HIS 46 5.486 -1.815 4.745 370 HB3 HIS 46 1HB HIS 46 5.047 -3.517 4.635 371 HD1 HIS 46 1HD HIS 46 3.415 -4.401 6.402 372 HD2 HIS 46 2HD HIS 46 4.879 -0.606 7.259 373 HE1 HIS 46 1HE HIS 46 2.090 -3.557 8.381 374 H ARG 47 H ARG 47 6.944 -5.398 4.556 375 HA ARG 47 HA ARG 47 6.072 -7.089 6.619 376 HB2 ARG 47 2HB ARG 47 6.040 -7.824 4.293 377 HB3 ARG 47 1HB ARG 47 7.794 -7.728 4.210 378 HG2 ARG 47 2HG ARG 47 7.170 -10.023 4.440 379 HG3 ARG 47 1HG ARG 47 7.919 -9.497 5.948 380 HD2 ARG 47 2HD ARG 47 5.477 -9.012 6.695 381 HD3 ARG 47 1HD ARG 47 5.040 -10.084 5.366 382 HE ARG 47 HE ARG 47 6.926 -10.989 7.429 383 HH11 ARG 47 1HH1 ARG 47 3.855 -11.380 5.754 384 HH12 ARG 47 2HH1 ARG 47 3.488 -12.878 6.533 385 HH21 ARG 47 1HH2 ARG 47 6.422 -12.934 8.479 386 HH22 ARG 47 2HH2 ARG 47 4.951 -13.776 8.121 387 H GLN 48 H GLN 48 9.311 -6.124 5.584 388 HA GLN 48 HA GLN 48 10.739 -7.735 7.412 389 HB2 GLN 48 2HB GLN 48 11.487 -5.148 6.048 390 HB3 GLN 48 1HB GLN 48 12.601 -6.092 7.023 391 HG2 GLN 48 2HG GLN 48 12.330 -7.979 5.480 392 HG3 GLN 48 1HG GLN 48 11.244 -6.999 4.496 393 HE21 GLN 48 1HE2 GLN 48 12.598 -7.158 2.704 394 HE22 GLN 48 2HE2 GLN 48 14.086 -6.285 2.600 395 H LEU 49 H LEU 49 9.481 -4.448 7.587 396 HA LEU 49 HA LEU 49 10.623 -3.756 10.069 397 HB2 LEU 49 2HB LEU 49 8.108 -2.749 8.751 398 HB3 LEU 49 1HB LEU 49 8.880 -2.001 10.134 399 HG LEU 49 HG LEU 49 10.081 -2.262 7.378 400 HD11 LEU 49 1HD1 LEU 49 9.820 0.177 7.315 401 HD12 LEU 49 2HD1 LEU 49 8.951 0.101 8.848 402 HD13 LEU 49 3HD1 LEU 49 8.277 -0.670 7.415 403 HD21 LEU 49 1HD2 LEU 49 11.801 -2.335 9.088 404 HD22 LEU 49 2HD2 LEU 49 11.122 -0.907 9.865 405 HD23 LEU 49 3HD2 LEU 49 11.837 -0.780 8.259 406 H PHE 50 H PHE 50 7.453 -5.119 9.238 407 HA PHE 50 HA PHE 50 6.420 -5.143 11.859 408 HB2 PHE 50 2HB PHE 50 5.098 -5.433 9.732 409 HB3 PHE 50 1HB PHE 50 5.726 -7.072 9.633 410 HD1 PHE 50 1HD PHE 50 3.757 -4.790 11.797 411 HD2 PHE 50 2HD PHE 50 4.647 -8.820 10.753 412 HE1 PHE 50 1HE PHE 50 1.902 -5.564 13.217 413 HE2 PHE 50 2HE PHE 50 2.792 -9.599 12.173 414 HZ PHE 50 HZ PHE 50 1.418 -7.970 13.405 415 H ASP 51 H ASP 51 8.317 -7.470 10.029 416 HA ASP 51 HA ASP 51 8.251 -9.527 12.006 417 HB2 ASP 51 2HB ASP 51 8.741 -9.978 9.631 418 HB3 ASP 51 1HB ASP 51 10.233 -9.056 9.766 419 H ASN 52 H ASN 52 10.369 -6.836 11.270 420 HA ASN 52 HA ASN 52 12.552 -7.434 12.924 421 HB2 ASN 52 2HB ASN 52 12.401 -5.627 11.147 422 HB3 ASN 52 1HB ASN 52 11.495 -4.664 12.303 423 HD21 ASN 52 1HD2 ASN 52 14.007 -4.080 11.015 424 HD22 ASN 52 2HD2 ASN 52 15.169 -3.842 12.273 425 H ARG 53 H ARG 53 9.431 -6.025 13.606 426 HA ARG 53 HA ARG 53 9.909 -4.944 16.145 427 HB2 ARG 53 2HB ARG 53 7.847 -4.467 14.988 428 HB3 ARG 53 1HB ARG 53 7.412 -6.170 14.964 429 HG2 ARG 53 2HG ARG 53 7.373 -6.058 17.494 430 HG3 ARG 53 1HG ARG 53 7.476 -4.306 17.320 431 HD2 ARG 53 2HD ARG 53 5.411 -4.230 16.130 432 HD3 ARG 53 1HD ARG 53 5.356 -5.988 15.999 433 HE ARG 53 HE ARG 53 4.782 -4.387 18.383 434 HH11 ARG 53 1HH1 ARG 53 5.096 -7.574 16.937 435 HH12 ARG 53 2HH1 ARG 53 4.154 -8.356 18.163 436 HH21 ARG 53 1HH2 ARG 53 3.537 -5.444 19.999 437 HH22 ARG 53 2HH2 ARG 53 3.279 -7.149 19.893 438 H GLN 54 H GLN 54 9.365 -8.226 15.083 439 HA GLN 54 HA GLN 54 9.577 -10.238 16.079 440 HB2 GLN 54 2HB GLN 54 11.642 -9.190 17.076 441 HB3 GLN 54 1HB GLN 54 10.686 -8.767 18.484 442 HG2 GLN 54 2HG GLN 54 12.063 -10.789 18.794 443 HG3 GLN 54 1HG GLN 54 10.338 -11.080 19.014 444 HE21 GLN 54 1HE2 GLN 54 13.090 -11.596 16.948 445 HE22 GLN 54 2HE2 GLN 54 12.390 -12.864 16.004 446 H GLU 55 H GLU 55 8.692 -11.598 17.851 447 HA GLU 55 HA GLU 55 6.973 -12.326 19.128 448 HB2 GLU 55 2HB GLU 55 6.725 -9.433 19.964 449 HB3 GLU 55 1HB GLU 55 5.932 -10.787 20.753 450 HG2 GLU 55 2HG GLU 55 8.894 -10.292 20.580 451 HG3 GLU 55 1HG GLU 55 7.876 -10.123 22.008 452 H ALA 56 H ALA 56 6.592 -10.918 16.416 453 HA ALA 56 HA ALA 56 3.740 -10.343 16.557 454 HB1 ALA 56 1HB ALA 56 3.994 -9.515 14.275 455 HB2 ALA 56 2HB ALA 56 5.676 -10.046 14.261 456 HB3 ALA 56 3HB ALA 56 5.166 -8.759 15.354 457 H ALA 57 H ALA 57 2.399 -11.967 16.292 458 HA ALA 57 HA ALA 57 3.066 -14.513 15.381 459 HB1 ALA 57 1HB ALA 57 1.108 -14.075 16.771 460 HB2 ALA 57 2HB ALA 57 0.653 -14.930 15.298 461 HB3 ALA 57 3HB ALA 57 0.350 -13.199 15.442 462 H ASP 58 H ASP 58 3.361 -15.322 13.447 463 HA ASP 58 HA ASP 58 3.357 -13.771 11.106 464 HB2 ASP 58 2HB ASP 58 4.811 -15.677 11.306 465 HB3 ASP 58 1HB ASP 58 3.442 -16.761 11.510 466 H THR 59 H THR 59 0.912 -15.738 12.603 467 HA THR 59 HA THR 59 -0.832 -16.135 10.463 468 HB THR 59 HB THR 59 -1.796 -15.484 13.239 469 HG1 THR 59 1HG THR 59 -0.657 -17.966 12.374 470 HG21 THR 59 1HG2 THR 59 -2.681 -17.490 11.157 471 HG22 THR 59 2HG2 THR 59 -3.482 -15.965 11.529 472 HG23 THR 59 3HG2 THR 59 -3.430 -17.251 12.735 473 H GLU 60 H GLU 60 -0.458 -13.392 12.681 474 HA GLU 60 HA GLU 60 -2.650 -11.906 11.638 475 HB2 GLU 60 2HB GLU 60 -0.251 -10.976 13.224 476 HB3 GLU 60 1HB GLU 60 -1.684 -10.013 12.897 477 HG2 GLU 60 2HG GLU 60 -1.553 -12.540 14.521 478 HG3 GLU 60 1HG GLU 60 -1.767 -10.902 15.133 479 H ALA 61 H ALA 61 0.817 -11.957 11.062 480 HA ALA 61 HA ALA 61 0.953 -9.729 9.354 481 HB1 ALA 61 1HB ALA 61 2.925 -10.752 10.397 482 HB2 ALA 61 2HB ALA 61 3.107 -10.626 8.648 483 HB3 ALA 61 3HB ALA 61 2.715 -12.179 9.384 484 H ALA 62 H ALA 62 0.449 -13.171 8.705 485 HA ALA 62 HA ALA 62 0.374 -12.912 5.881 486 HB1 ALA 62 1HB ALA 62 -0.499 -15.172 5.877 487 HB2 ALA 62 2HB ALA 62 -0.867 -15.061 7.597 488 HB3 ALA 62 3HB ALA 62 0.808 -15.046 7.054 489 H LYS 63 H LYS 63 -2.116 -12.967 8.390 490 HA LYS 63 HA LYS 63 -4.352 -12.998 6.683 491 HB2 LYS 63 2HB LYS 63 -4.565 -13.609 8.992 492 HB3 LYS 63 1HB LYS 63 -3.995 -12.032 9.513 493 HG2 LYS 63 2HG LYS 63 -6.017 -11.002 8.607 494 HG3 LYS 63 1HG LYS 63 -6.588 -12.590 8.092 495 HD2 LYS 63 2HD LYS 63 -7.597 -11.853 10.224 496 HD3 LYS 63 1HD LYS 63 -6.674 -13.348 10.389 497 HE2 LYS 63 2HE LYS 63 -4.812 -12.129 11.340 498 HE3 LYS 63 1HE LYS 63 -5.635 -10.595 11.066 499 HZ1 LYS 63 1HZ LYS 63 -7.285 -11.188 12.667 500 HZ2 LYS 63 2HZ LYS 63 -5.761 -11.415 13.376 501 HZ3 LYS 63 3HZ LYS 63 -6.656 -12.747 12.839 502 H GLN 64 H GLN 64 -2.644 -10.279 8.234 503 HA GLN 64 HA GLN 64 -4.405 -8.324 7.114 504 HB2 GLN 64 2HB GLN 64 -1.703 -8.077 8.439 505 HB3 GLN 64 1HB GLN 64 -2.630 -6.695 7.874 506 HG2 GLN 64 2HG GLN 64 -3.499 -8.671 9.976 507 HG3 GLN 64 1HG GLN 64 -2.912 -7.035 10.266 508 HE21 GLN 64 1HE2 GLN 64 -5.455 -8.206 10.994 509 HE22 GLN 64 2HE2 GLN 64 -6.681 -7.257 10.231 510 H GLY 65 H GLY 65 -1.235 -9.607 6.284 511 HA2 GLY 65 2HA GLY 65 -0.662 -7.842 4.172 512 HA3 GLY 65 1HA GLY 65 -0.000 -9.461 4.363 513 H ASP 66 H ASP 66 -2.289 -10.990 4.218 514 HA ASP 66 HA ASP 66 -2.647 -11.236 1.442 515 HB2 ASP 66 2HB ASP 66 -2.930 -13.167 2.820 516 HB3 ASP 66 1HB ASP 66 -4.187 -12.383 3.768 517 H GLN 67 H GLN 67 -4.657 -9.754 3.937 518 HA GLN 67 HA GLN 67 -6.884 -9.213 2.291 519 HB2 GLN 67 2HB GLN 67 -6.838 -9.158 4.816 520 HB3 GLN 67 1HB GLN 67 -5.966 -7.639 4.715 521 HG2 GLN 67 2HG GLN 67 -8.664 -7.983 3.443 522 HG3 GLN 67 1HG GLN 67 -8.490 -7.575 5.146 523 HE21 GLN 67 1HE2 GLN 67 -9.670 -6.052 2.966 524 HE22 GLN 67 2HE2 GLN 67 -8.817 -4.552 2.906 525 H TRP 68 H TRP 68 -3.950 -7.413 3.045 526 HA TRP 68 HA TRP 68 -4.632 -5.067 1.633 527 HB2 TRP 68 2HB TRP 68 -2.907 -4.845 3.220 528 HB3 TRP 68 1HB TRP 68 -2.046 -6.254 2.613 529 HD1 TRP 68 HD TRP 68 0.075 -5.608 1.423 530 HE1 TRP 68 1HE TRP 68 0.882 -3.630 -0.015 531 HE3 TRP 68 3HE TRP 68 -4.186 -2.800 1.445 532 HZ2 TRP 68 2HZ TRP 68 -0.153 -1.210 -1.012 533 HZ3 TRP 68 3HZ TRP 68 -4.197 -0.669 0.222 534 HH2 TRP 68 HH TRP 68 -2.223 0.107 -0.979 535 H VAL 69 H VAL 69 -2.837 -7.990 0.747 536 HA VAL 69 HA VAL 69 -2.093 -7.187 -1.831 537 HB VAL 69 HB VAL 69 -2.615 -9.980 -0.774 538 HG11 VAL 69 1HG1 VAL 69 -2.759 -9.976 -3.209 539 HG12 VAL 69 2HG1 VAL 69 -1.277 -10.771 -2.679 540 HG13 VAL 69 3HG1 VAL 69 -1.217 -9.126 -3.313 541 HG21 VAL 69 1HG2 VAL 69 -0.049 -8.441 -1.161 542 HG22 VAL 69 2HG2 VAL 69 -0.185 -10.099 -0.577 543 HG23 VAL 69 3HG2 VAL 69 -0.834 -8.771 0.383 544 H GLN 70 H GLN 70 -5.043 -8.737 -0.638 545 HA GLN 70 HA GLN 70 -6.182 -9.246 -3.157 546 HB2 GLN 70 2HB GLN 70 -7.563 -8.732 -0.521 547 HB3 GLN 70 1HB GLN 70 -8.350 -9.364 -1.962 548 HG2 GLN 70 2HG GLN 70 -6.178 -10.672 -0.350 549 HG3 GLN 70 1HG GLN 70 -7.859 -11.182 -0.503 550 HE21 GLN 70 1HE2 GLN 70 -5.302 -12.540 -1.113 551 HE22 GLN 70 2HE2 GLN 70 -5.438 -13.045 -2.760 552 H LEU 71 H LEU 71 -6.206 -6.364 -1.136 553 HA LEU 71 HA LEU 71 -8.074 -4.915 -2.697 554 HB2 LEU 71 2HB LEU 71 -5.844 -3.992 -0.888 555 HB3 LEU 71 1HB LEU 71 -6.946 -2.886 -1.681 556 HG LEU 71 HG LEU 71 -7.733 -4.998 0.332 557 HD11 LEU 71 1HD1 LEU 71 -7.578 -1.997 0.574 558 HD12 LEU 71 2HD1 LEU 71 -6.479 -3.153 1.329 559 HD13 LEU 71 3HD1 LEU 71 -8.176 -3.106 1.807 560 HD21 LEU 71 1HD2 LEU 71 -9.507 -4.589 -1.287 561 HD22 LEU 71 2HD2 LEU 71 -9.355 -2.850 -1.032 562 HD23 LEU 71 3HD2 LEU 71 -9.925 -3.886 0.276 563 H PHE 72 H PHE 72 -4.586 -5.297 -2.827 564 HA PHE 72 HA PHE 72 -4.137 -3.445 -4.924 565 HB2 PHE 72 2HB PHE 72 -2.351 -4.242 -3.400 566 HB3 PHE 72 1HB PHE 72 -2.474 -5.844 -4.114 567 HD1 PHE 72 1HD PHE 72 -1.583 -2.326 -4.821 568 HD2 PHE 72 2HD PHE 72 -1.327 -6.378 -6.102 569 HE1 PHE 72 1HE PHE 72 0.074 -1.680 -6.520 570 HE2 PHE 72 2HE PHE 72 0.331 -5.738 -7.803 571 HZ PHE 72 HZ PHE 72 1.034 -3.388 -8.012 572 H GLN 73 H GLN 73 -4.647 -6.957 -4.851 573 HA GLN 73 HA GLN 73 -4.349 -7.421 -7.614 574 HB2 GLN 73 2HB GLN 73 -6.049 -8.927 -5.614 575 HB3 GLN 73 1HB GLN 73 -5.610 -9.508 -7.212 576 HG2 GLN 73 2HG GLN 73 -3.722 -8.947 -4.937 577 HG3 GLN 73 1HG GLN 73 -4.232 -10.534 -5.510 578 HE21 GLN 73 1HE2 GLN 73 -3.403 -11.322 -7.428 579 HE22 GLN 73 2HE2 GLN 73 -2.019 -10.632 -8.197 580 H ARG 74 H ARG 74 -7.195 -6.730 -5.638 581 HA ARG 74 HA ARG 74 -9.129 -6.833 -7.655 582 HB2 ARG 74 2HB ARG 74 -9.702 -6.766 -5.285 583 HB3 ARG 74 1HB ARG 74 -9.014 -5.160 -5.137 584 HG2 ARG 74 2HG ARG 74 -11.366 -4.908 -5.170 585 HG3 ARG 74 1HG ARG 74 -10.777 -4.361 -6.737 586 HD2 ARG 74 2HD ARG 74 -11.853 -7.133 -6.237 587 HD3 ARG 74 1HD ARG 74 -12.854 -5.790 -6.779 588 HE ARG 74 HE ARG 74 -10.748 -7.139 -8.304 589 HH11 ARG 74 1HH1 ARG 74 -13.389 -4.825 -8.190 590 HH12 ARG 74 2HH1 ARG 74 -13.450 -4.625 -9.908 591 HH21 ARG 74 1HH2 ARG 74 -10.859 -6.875 -10.583 592 HH22 ARG 74 2HH2 ARG 74 -12.024 -5.789 -11.266 593 H PHE 75 H PHE 75 -7.105 -4.179 -6.509 594 HA PHE 75 HA PHE 75 -8.228 -2.183 -8.160 595 HB2 PHE 75 2HB PHE 75 -6.885 -1.721 -6.126 596 HB3 PHE 75 1HB PHE 75 -5.453 -2.312 -6.959 597 HD1 PHE 75 1HD PHE 75 -8.122 0.258 -7.189 598 HD2 PHE 75 2HD PHE 75 -4.130 -0.838 -8.165 599 HE1 PHE 75 1HE PHE 75 -7.715 2.523 -8.048 600 HE2 PHE 75 2HE PHE 75 -3.717 1.427 -9.028 601 HZ PHE 75 HZ PHE 75 -5.509 3.112 -8.969 602 H ARG 76 H ARG 76 -5.359 -4.249 -8.525 603 HA ARG 76 HA ARG 76 -4.528 -3.177 -10.996 604 HB2 ARG 76 2HB ARG 76 -3.069 -4.532 -9.536 605 HB3 ARG 76 1HB ARG 76 -4.045 -5.950 -9.892 606 HG2 ARG 76 2HG ARG 76 -3.425 -5.781 -12.252 607 HG3 ARG 76 1HG ARG 76 -2.438 -4.366 -11.886 608 HD2 ARG 76 2HD ARG 76 -1.030 -5.714 -10.423 609 HD3 ARG 76 1HD ARG 76 -2.036 -7.128 -10.739 610 HE ARG 76 HE ARG 76 -1.084 -6.041 -13.164 611 HH11 ARG 76 1HH1 ARG 76 0.047 -7.851 -10.387 612 HH12 ARG 76 2HH1 ARG 76 1.268 -8.696 -11.268 613 HH21 ARG 76 1HH2 ARG 76 0.555 -7.141 -14.331 614 HH22 ARG 76 2HH2 ARG 76 1.560 -8.287 -13.518 615 H GLU 77 H GLU 77 -6.601 -5.935 -10.196 616 HA GLU 77 HA GLU 77 -7.014 -6.897 -12.790 617 HB2 GLU 77 2HB GLU 77 -7.647 -8.145 -10.786 618 HB3 GLU 77 1HB GLU 77 -8.867 -6.942 -10.400 619 HG2 GLU 77 2HG GLU 77 -9.889 -8.913 -11.342 620 HG3 GLU 77 1HG GLU 77 -10.095 -7.542 -12.429 621 H ALA 78 H ALA 78 -8.676 -4.387 -10.952 622 HA ALA 78 HA ALA 78 -10.720 -3.912 -12.829 623 HB1 ALA 78 1HB ALA 78 -11.063 -1.802 -11.648 624 HB2 ALA 78 2HB ALA 78 -9.525 -2.017 -10.811 625 HB3 ALA 78 3HB ALA 78 -10.852 -3.139 -10.518 626 H ILE 79 H ILE 79 -7.459 -2.579 -12.460 627 HA ILE 79 HA ILE 79 -7.653 -0.668 -14.568 628 HB ILE 79 HB ILE 79 -5.187 -2.064 -13.481 629 HG12 ILE 79 2HG1 ILE 79 -6.376 0.636 -12.801 630 HG13 ILE 79 1HG1 ILE 79 -6.376 -0.786 -11.763 631 HG21 ILE 79 1HG2 ILE 79 -5.408 0.428 -15.169 632 HG22 ILE 79 2HG2 ILE 79 -4.777 -1.133 -15.692 633 HG23 ILE 79 3HG2 ILE 79 -3.921 -0.204 -14.462 634 HD11 ILE 79 1HD1 ILE 79 -3.941 -0.709 -11.656 635 HD12 ILE 79 2HD1 ILE 79 -4.668 0.796 -11.090 636 HD13 ILE 79 3HD1 ILE 79 -3.942 0.716 -12.696 637 H ASP 80 H ASP 80 -6.522 -3.988 -14.358 638 HA ASP 80 HA ASP 80 -5.609 -4.283 -16.996 639 HB2 ASP 80 2HB ASP 80 -5.167 -5.818 -15.037 640 HB3 ASP 80 1HB ASP 80 -6.798 -6.444 -15.244 641 H LYS 81 H LYS 81 -8.786 -4.715 -15.532 642 HA LYS 81 HA LYS 81 -9.990 -5.678 -17.948 643 HB2 LYS 81 2HB LYS 81 -10.633 -6.132 -15.455 644 HB3 LYS 81 1HB LYS 81 -11.522 -4.626 -15.600 645 HG2 LYS 81 2HG LYS 81 -12.928 -6.600 -15.989 646 HG3 LYS 81 1HG LYS 81 -12.856 -5.535 -17.393 647 HD2 LYS 81 2HD LYS 81 -12.662 -7.949 -17.971 648 HD3 LYS 81 1HD LYS 81 -11.283 -6.979 -18.484 649 HE2 LYS 81 2HE LYS 81 -10.563 -9.110 -17.529 650 HE3 LYS 81 1HE LYS 81 -9.995 -7.751 -16.568 651 HZ1 LYS 81 1HZ LYS 81 -10.768 -9.347 -15.066 652 HZ2 LYS 81 2HZ LYS 81 -12.185 -9.638 -15.939 653 HZ3 LYS 81 3HZ LYS 81 -11.992 -8.179 -15.110 654 H GLY 82 H GLY 82 -9.175 -2.635 -16.727 655 HA2 GLY 82 2HA GLY 82 -9.451 -0.543 -17.637 656 HA3 GLY 82 1HA GLY 82 -10.294 -1.297 -18.981 657 H ASP 83 H ASP 83 -11.304 -1.669 -15.649 658 HA ASP 83 HA ASP 83 -13.731 -0.169 -16.338 659 HB2 ASP 83 2HB ASP 83 -14.158 -2.476 -15.643 660 HB3 ASP 83 1HB ASP 83 -13.320 -2.183 -14.120 661 H LYS 84 H LYS 84 -13.265 1.896 -15.881 662 HA LYS 84 HA LYS 84 -11.739 2.696 -13.630 663 HB2 LYS 84 2HB LYS 84 -12.229 4.945 -14.238 664 HB3 LYS 84 1HB LYS 84 -12.021 4.046 -15.733 665 HG2 LYS 84 2HG LYS 84 -14.354 4.033 -16.154 666 HG3 LYS 84 1HG LYS 84 -14.716 4.621 -14.529 667 HD2 LYS 84 2HD LYS 84 -13.451 6.706 -15.106 668 HD3 LYS 84 1HD LYS 84 -13.368 6.120 -16.769 669 HE2 LYS 84 2HE LYS 84 -15.217 7.700 -16.428 670 HE3 LYS 84 1HE LYS 84 -15.789 6.103 -16.909 671 HZ1 LYS 84 1HZ LYS 84 -15.676 7.005 -14.080 672 HZ2 LYS 84 2HZ LYS 84 -16.470 5.640 -14.703 673 HZ3 LYS 84 3HZ LYS 84 -17.048 7.183 -15.057 674 H ASP 85 H ASP 85 -15.087 1.965 -14.065 675 HA ASP 85 HA ASP 85 -16.251 3.574 -12.100 676 HB2 ASP 85 2HB ASP 85 -17.584 2.323 -13.725 677 HB3 ASP 85 1HB ASP 85 -17.075 0.804 -12.997 678 H SER 86 H SER 86 -15.010 0.247 -11.800 679 HA SER 86 HA SER 86 -15.413 0.205 -8.988 680 HB2 SER 86 2HB SER 86 -13.821 -1.798 -9.100 681 HB3 SER 86 1HB SER 86 -15.312 -1.923 -10.028 682 HG SER 86 HG SER 86 -14.127 -1.336 -11.893 683 H LEU 87 H LEU 87 -12.744 1.122 -11.067 684 HA LEU 87 HA LEU 87 -10.686 1.247 -9.175 685 HB2 LEU 87 2HB LEU 87 -11.149 2.788 -11.712 686 HB3 LEU 87 1HB LEU 87 -9.692 2.963 -10.756 687 HG LEU 87 HG LEU 87 -10.620 0.358 -11.957 688 HD11 LEU 87 1HD1 LEU 87 -8.766 0.683 -13.542 689 HD12 LEU 87 2HD1 LEU 87 -8.538 2.315 -12.915 690 HD13 LEU 87 3HD1 LEU 87 -10.035 1.887 -13.738 691 HD21 LEU 87 1HD2 LEU 87 -9.252 0.093 -9.983 692 HD22 LEU 87 2HD2 LEU 87 -8.051 1.199 -10.650 693 HD23 LEU 87 3HD2 LEU 87 -8.347 -0.355 -11.428 694 H GLU 88 H GLU 88 -13.001 3.737 -10.157 695 HA GLU 88 HA GLU 88 -11.963 5.872 -8.684 696 HB2 GLU 88 2HB GLU 88 -14.856 5.262 -9.316 697 HB3 GLU 88 1HB GLU 88 -14.223 6.828 -8.831 698 HG2 GLU 88 2HG GLU 88 -13.024 7.073 -10.850 699 HG3 GLU 88 1HG GLU 88 -13.286 5.389 -11.292 700 H GLN 89 H GLN 89 -14.331 3.419 -7.796 701 HA GLN 89 HA GLN 89 -14.783 4.394 -5.167 702 HB2 GLN 89 2HB GLN 89 -15.244 1.604 -6.221 703 HB3 GLN 89 1HB GLN 89 -16.012 2.344 -4.823 704 HG2 GLN 89 2HG GLN 89 -17.112 3.966 -6.285 705 HG3 GLN 89 1HG GLN 89 -16.340 3.223 -7.684 706 HE21 GLN 89 1HE2 GLN 89 -18.228 2.662 -8.665 707 HE22 GLN 89 2HE2 GLN 89 -19.278 1.424 -8.064 708 H LEU 90 H LEU 90 -12.676 1.924 -6.551 709 HA LEU 90 HA LEU 90 -11.730 0.850 -4.136 710 HB2 LEU 90 2HB LEU 90 -10.461 0.958 -6.864 711 HB3 LEU 90 1HB LEU 90 -9.777 0.075 -5.515 712 HG LEU 90 HG LEU 90 -12.468 -0.475 -6.771 713 HD11 LEU 90 1HD1 LEU 90 -10.592 -1.046 -8.237 714 HD12 LEU 90 2HD1 LEU 90 -11.438 -2.479 -7.657 715 HD13 LEU 90 3HD1 LEU 90 -9.891 -2.022 -6.945 716 HD21 LEU 90 1HD2 LEU 90 -12.420 -2.512 -5.393 717 HD22 LEU 90 2HD2 LEU 90 -12.447 -1.049 -4.412 718 HD23 LEU 90 3HD2 LEU 90 -10.940 -1.942 -4.621 719 H LEU 91 H LEU 91 -10.663 3.624 -6.022 720 HA LEU 91 HA LEU 91 -8.189 4.060 -4.792 721 HB2 LEU 91 2HB LEU 91 -10.165 5.972 -6.012 722 HB3 LEU 91 1HB LEU 91 -8.617 6.503 -5.389 723 HG LEU 91 HG LEU 91 -8.933 4.460 -7.588 724 HD11 LEU 91 1HD1 LEU 91 -8.307 7.404 -7.773 725 HD12 LEU 91 2HD1 LEU 91 -9.802 6.628 -8.294 726 HD13 LEU 91 3HD1 LEU 91 -8.285 6.253 -9.110 727 HD21 LEU 91 1HD2 LEU 91 -6.552 4.943 -7.973 728 HD22 LEU 91 2HD2 LEU 91 -6.838 4.271 -6.370 729 HD23 LEU 91 3HD2 LEU 91 -6.547 6.000 -6.562 730 H GLU 92 H GLU 92 -11.423 4.966 -3.761 731 HA GLU 92 HA GLU 92 -10.573 6.662 -1.653 732 HB2 GLU 92 2HB GLU 92 -13.189 5.225 -2.083 733 HB3 GLU 92 1HB GLU 92 -12.911 6.445 -0.849 734 HG2 GLU 92 2HG GLU 92 -12.453 8.100 -2.567 735 HG3 GLU 92 1HG GLU 92 -12.686 6.878 -3.816 736 H GLU 93 H GLU 93 -11.603 3.281 -1.777 737 HA GLU 93 HA GLU 93 -11.304 2.818 1.015 738 HB2 GLU 93 2HB GLU 93 -11.246 0.813 -1.244 739 HB3 GLU 93 1HB GLU 93 -11.531 0.459 0.452 740 HG2 GLU 93 2HG GLU 93 -13.316 2.070 -1.361 741 HG3 GLU 93 1HG GLU 93 -13.608 0.431 -0.784 742 H LEU 94 H LEU 94 -9.245 2.503 -1.778 743 HA LEU 94 HA LEU 94 -7.173 1.004 -0.668 744 HB2 LEU 94 2HB LEU 94 -7.541 1.480 -3.083 745 HB3 LEU 94 1HB LEU 94 -6.994 3.119 -2.811 746 HG LEU 94 HG LEU 94 -4.771 2.235 -2.163 747 HD11 LEU 94 1HD1 LEU 94 -4.236 -0.097 -2.665 748 HD12 LEU 94 2HD1 LEU 94 -5.931 -0.406 -3.042 749 HD13 LEU 94 3HD1 LEU 94 -5.457 0.025 -1.400 750 HD21 LEU 94 1HD2 LEU 94 -5.213 2.983 -4.441 751 HD22 LEU 94 2HD2 LEU 94 -5.779 1.369 -4.870 752 HD23 LEU 94 3HD2 LEU 94 -4.091 1.623 -4.429 753 H GLU 95 H GLU 95 -7.634 4.540 -0.874 754 HA GLU 95 HA GLU 95 -5.175 5.268 0.248 755 HB2 GLU 95 2HB GLU 95 -6.679 6.874 -0.865 756 HB3 GLU 95 1HB GLU 95 -7.804 6.741 0.480 757 HG2 GLU 95 2HG GLU 95 -6.151 7.674 1.990 758 HG3 GLU 95 1HG GLU 95 -4.975 7.751 0.681 759 H GLN 96 H GLN 96 -8.259 4.502 1.778 760 HA GLN 96 HA GLN 96 -7.500 5.135 4.415 761 HB2 GLN 96 2HB GLN 96 -9.564 3.187 3.385 762 HB3 GLN 96 1HB GLN 96 -9.388 3.638 5.076 763 HG2 GLN 96 2HG GLN 96 -10.073 5.495 2.807 764 HG3 GLN 96 1HG GLN 96 -11.188 4.869 4.021 765 HE21 GLN 96 1HE2 GLN 96 -10.488 7.621 3.377 766 HE22 GLN 96 2HE2 GLN 96 -9.893 8.316 4.842 767 H ALA 97 H ALA 97 -7.157 2.247 2.458 768 HA ALA 97 HA ALA 97 -6.330 0.480 4.470 769 HB1 ALA 97 1HB ALA 97 -5.551 0.499 1.556 770 HB2 ALA 97 2HB ALA 97 -6.987 -0.264 2.237 771 HB3 ALA 97 3HB ALA 97 -5.384 -0.864 2.663 772 H LEU 98 H LEU 98 -4.436 2.681 2.377 773 HA LEU 98 HA LEU 98 -1.922 1.951 3.410 774 HB2 LEU 98 2HB LEU 98 -2.909 4.438 2.053 775 HB3 LEU 98 1HB LEU 98 -1.279 4.347 2.683 776 HG LEU 98 HG LEU 98 -1.119 3.871 0.399 777 HD11 LEU 98 1HD1 LEU 98 0.128 2.365 1.928 778 HD12 LEU 98 2HD1 LEU 98 -0.182 1.691 0.329 779 HD13 LEU 98 3HD1 LEU 98 -1.148 1.168 1.707 780 HD21 LEU 98 1HD2 LEU 98 -3.316 1.843 0.717 781 HD22 LEU 98 2HD2 LEU 98 -2.427 2.196 -0.766 782 HD23 LEU 98 3HD2 LEU 98 -3.469 3.423 -0.048 783 H GLN 99 H GLN 99 -4.304 4.293 4.483 784 HA GLN 99 HA GLN 99 -2.708 5.502 6.475 785 HB2 GLN 99 2HB GLN 99 -5.711 5.142 6.428 786 HB3 GLN 99 1HB GLN 99 -4.829 6.248 7.469 787 HG2 GLN 99 2HG GLN 99 -5.064 6.371 4.475 788 HG3 GLN 99 1HG GLN 99 -5.789 7.468 5.647 789 HE21 GLN 99 1HE2 GLN 99 -4.016 8.054 3.446 790 HE22 GLN 99 2HE2 GLN 99 -2.629 8.830 4.123 791 H LYS 100 H LYS 100 -4.882 2.748 6.470 792 HA LYS 100 HA LYS 100 -4.756 2.076 9.188 793 HB2 LYS 100 2HB LYS 100 -6.408 1.182 7.590 794 HB3 LYS 100 1HB LYS 100 -5.134 0.286 6.781 795 HG2 LYS 100 2HG LYS 100 -4.791 -1.059 8.777 796 HG3 LYS 100 1HG LYS 100 -6.037 -0.134 9.622 797 HD2 LYS 100 2HD LYS 100 -7.686 -0.853 7.945 798 HD3 LYS 100 1HD LYS 100 -6.439 -1.807 7.142 799 HE2 LYS 100 2HE LYS 100 -7.323 -2.195 9.995 800 HE3 LYS 100 1HE LYS 100 -7.920 -3.132 8.628 801 HZ1 LYS 100 1HZ LYS 100 -6.153 -4.281 9.800 802 HZ2 LYS 100 2HZ LYS 100 -5.094 -2.999 9.525 803 HZ3 LYS 100 3HZ LYS 100 -5.673 -3.908 8.223 804 H ILE 101 H ILE 101 -2.810 1.013 6.419 805 HA ILE 101 HA ILE 101 -1.129 -0.765 7.799 806 HB ILE 101 HB ILE 101 -0.582 0.881 5.317 807 HG12 ILE 101 2HG1 ILE 101 -1.369 -2.022 5.644 808 HG13 ILE 101 1HG1 ILE 101 -2.449 -0.726 5.143 809 HG21 ILE 101 1HG2 ILE 101 0.983 -1.448 6.428 810 HG22 ILE 101 2HG2 ILE 101 1.527 0.227 6.335 811 HG23 ILE 101 3HG2 ILE 101 1.247 -0.693 4.856 812 HD11 ILE 101 1HD1 ILE 101 -0.019 -1.674 3.647 813 HD12 ILE 101 2HD1 ILE 101 -1.104 -0.379 3.142 814 HD13 ILE 101 3HD1 ILE 101 -1.697 -2.036 3.246 815 H ARG 102 H ARG 102 -0.771 2.693 7.065 816 HA ARG 102 HA ARG 102 1.758 3.018 8.222 817 HB2 ARG 102 2HB ARG 102 0.784 4.716 6.756 818 HB3 ARG 102 1HB ARG 102 -0.464 5.053 7.951 819 HG2 ARG 102 2HG ARG 102 1.263 5.787 9.529 820 HG3 ARG 102 1HG ARG 102 2.492 5.487 8.303 821 HD2 ARG 102 2HD ARG 102 1.579 7.202 6.892 822 HD3 ARG 102 1HD ARG 102 0.198 7.414 7.974 823 HE ARG 102 HE ARG 102 2.216 7.900 9.632 824 HH11 ARG 102 1HH1 ARG 102 1.585 9.154 6.409 825 HH12 ARG 102 2HH1 ARG 102 2.459 10.619 6.676 826 HH21 ARG 102 1HH2 ARG 102 3.347 9.814 9.985 827 HH22 ARG 102 2HH2 ARG 102 3.467 11.009 8.736 828 H GLU 103 H GLU 103 -1.471 3.089 9.635 829 HA GLU 103 HA GLU 103 -0.800 4.105 12.161 830 HB2 GLU 103 2HB GLU 103 -2.968 2.201 11.296 831 HB3 GLU 103 1HB GLU 103 -2.813 2.763 12.951 832 HG2 GLU 103 2HG GLU 103 -3.014 5.100 12.073 833 HG3 GLU 103 1HG GLU 103 -3.410 4.396 10.504 834 H LEU 104 H LEU 104 -0.728 0.834 10.877 835 HA LEU 104 HA LEU 104 -0.113 -0.440 13.332 836 HB2 LEU 104 2HB LEU 104 0.430 -1.362 10.511 837 HB3 LEU 104 1HB LEU 104 0.485 -2.371 11.943 838 HG LEU 104 HG LEU 104 -1.983 -1.023 10.842 839 HD11 LEU 104 1HD1 LEU 104 -1.214 -2.846 9.428 840 HD12 LEU 104 2HD1 LEU 104 -2.696 -3.288 10.275 841 HD13 LEU 104 3HD1 LEU 104 -1.144 -3.918 10.827 842 HD21 LEU 104 1HD2 LEU 104 -1.645 -2.941 13.148 843 HD22 LEU 104 2HD2 LEU 104 -3.183 -2.369 12.504 844 HD23 LEU 104 3HD2 LEU 104 -2.072 -1.234 13.267 845 H ALA 105 H ALA 105 1.841 0.911 10.738 846 HA ALA 105 HA ALA 105 4.312 -0.111 11.736 847 HB1 ALA 105 1HB ALA 105 3.986 0.437 9.374 848 HB2 ALA 105 2HB ALA 105 5.354 1.313 10.063 849 HB3 ALA 105 3HB ALA 105 3.820 2.142 9.795 850 H GLU 106 H GLU 106 2.473 2.824 12.297 851 HA GLU 106 HA GLU 106 4.719 4.066 13.676 852 HB2 GLU 106 2HB GLU 106 1.906 5.063 13.207 853 HB3 GLU 106 1HB GLU 106 3.171 5.981 14.008 854 HG2 GLU 106 2HG GLU 106 4.499 5.941 11.957 855 HG3 GLU 106 1HG GLU 106 3.228 5.017 11.156 856 H LYS 107 H LYS 107 1.918 2.221 14.432 857 HA LYS 107 HA LYS 107 2.374 2.778 17.283 858 HB2 LYS 107 2HB LYS 107 -0.238 2.105 15.928 859 HB3 LYS 107 1HB LYS 107 -0.016 2.259 17.664 860 HG2 LYS 107 2HG LYS 107 0.515 4.600 17.437 861 HG3 LYS 107 1HG LYS 107 0.459 4.474 15.678 862 HD2 LYS 107 2HD LYS 107 -1.873 3.983 17.535 863 HD3 LYS 107 1HD LYS 107 -1.592 5.469 16.627 864 HE2 LYS 107 2HE LYS 107 -1.684 4.143 14.529 865 HE3 LYS 107 1HE LYS 107 -2.094 2.721 15.485 866 HZ1 LYS 107 1HZ LYS 107 -3.682 5.220 15.372 867 HZ2 LYS 107 2HZ LYS 107 -4.098 3.819 16.222 868 HZ3 LYS 107 3HZ LYS 107 -4.056 3.804 14.531 869 H LYS 108 H LYS 108 3.670 1.108 17.774 870 HA LYS 108 HA LYS 108 3.129 -1.546 16.862 871 HB2 LYS 108 2HB LYS 108 5.009 -2.190 18.375 872 HB3 LYS 108 1HB LYS 108 5.431 -0.945 17.217 873 HG2 LYS 108 2HG LYS 108 5.353 0.752 18.897 874 HG3 LYS 108 1HG LYS 108 4.684 -0.377 20.076 875 HD2 LYS 108 2HD LYS 108 6.753 -1.690 19.986 876 HD3 LYS 108 1HD LYS 108 7.419 -0.557 18.808 877 HE2 LYS 108 2HE LYS 108 7.376 1.226 20.418 878 HE3 LYS 108 1HE LYS 108 6.523 0.215 21.582 879 HZ1 LYS 108 1HZ LYS 108 8.447 -1.177 21.791 880 HZ2 LYS 108 2HZ LYS 108 8.927 0.425 22.030 881 HZ3 LYS 108 3HZ LYS 108 9.256 -0.345 20.566 882 H ASN 109 H ASN 109 1.607 -2.795 17.660 883 HA ASN 109 HA ASN 109 0.850 -2.474 20.484 884 HB2 ASN 109 2HB ASN 109 -0.869 -3.168 18.102 885 HB3 ASN 109 1HB ASN 109 -1.390 -3.445 19.758 886 HD21 ASN 109 1HD2 ASN 109 -0.775 -1.096 17.305 887 HD22 ASN 109 2HD2 ASN 109 -1.472 0.252 18.136 Start of MODEL 9 1 H1 SER 1 1HT SER 1 5.735 11.923 16.595 2 H2 SER 1 2HT SER 1 5.956 10.993 17.988 3 H3 SER 1 3HT SER 1 4.640 10.685 16.960 4 HA SER 1 HA SER 1 6.305 9.034 16.644 5 HB2 SER 1 2HB SER 1 6.322 10.984 14.327 6 HB3 SER 1 1HB SER 1 6.550 9.236 14.246 7 HG SER 1 HG SER 1 4.457 9.016 14.191 8 H GLU 2 H GLU 2 8.096 9.139 17.933 9 HA GLU 2 HA GLU 2 10.142 11.122 17.347 10 HB2 GLU 2 2HB GLU 2 9.943 9.087 19.574 11 HB3 GLU 2 1HB GLU 2 11.224 10.278 19.414 12 HG2 GLU 2 2HG GLU 2 9.708 11.121 21.027 13 HG3 GLU 2 1HG GLU 2 9.452 12.061 19.562 14 H PHE 3 H PHE 3 9.399 8.436 15.929 15 HA PHE 3 HA PHE 3 12.151 7.427 15.690 16 HB2 PHE 3 2HB PHE 3 9.581 6.141 14.748 17 HB3 PHE 3 1HB PHE 3 11.180 5.406 14.747 18 HD1 PHE 3 1HD PHE 3 8.197 6.087 16.628 19 HD2 PHE 3 2HD PHE 3 12.256 4.851 16.934 20 HE1 PHE 3 1HE PHE 3 7.741 5.171 18.860 21 HE2 PHE 3 2HE PHE 3 11.807 3.930 19.171 22 HZ PHE 3 HZ PHE 3 9.544 4.090 20.133 23 H GLU 4 H GLU 4 13.109 8.623 14.132 24 HA GLU 4 HA GLU 4 11.683 10.031 12.167 25 HB2 GLU 4 2HB GLU 4 13.920 10.648 13.068 26 HB3 GLU 4 1HB GLU 4 14.613 9.339 12.122 27 HG2 GLU 4 2HG GLU 4 14.907 11.450 10.992 28 HG3 GLU 4 1HG GLU 4 13.819 10.409 10.074 29 H LYS 5 H LYS 5 13.647 7.058 11.867 30 HA LYS 5 HA LYS 5 13.136 6.941 9.061 31 HB2 LYS 5 2HB LYS 5 14.274 4.821 9.054 32 HB3 LYS 5 1HB LYS 5 15.177 5.971 10.023 33 HG2 LYS 5 2HG LYS 5 14.326 4.934 12.064 34 HG3 LYS 5 1HG LYS 5 13.383 3.799 11.096 35 HD2 LYS 5 2HD LYS 5 16.391 4.058 11.038 36 HD3 LYS 5 1HD LYS 5 15.495 2.813 11.908 37 HE2 LYS 5 2HE LYS 5 14.592 1.960 9.829 38 HE3 LYS 5 1HE LYS 5 15.359 3.262 8.924 39 HZ1 LYS 5 1HZ LYS 5 17.507 2.399 9.565 40 HZ2 LYS 5 2HZ LYS 5 16.608 1.216 8.764 41 HZ3 LYS 5 3HZ LYS 5 16.780 1.150 10.443 42 H LEU 6 H LEU 6 11.583 5.645 11.869 43 HA LEU 6 HA LEU 6 10.022 3.662 10.585 44 HB2 LEU 6 2HB LEU 6 10.437 3.923 13.071 45 HB3 LEU 6 1HB LEU 6 9.309 5.258 13.047 46 HG LEU 6 HG LEU 6 8.512 2.460 12.247 47 HD11 LEU 6 1HD1 LEU 6 8.339 3.761 14.962 48 HD12 LEU 6 2HD1 LEU 6 9.356 2.388 14.525 49 HD13 LEU 6 3HD1 LEU 6 7.600 2.225 14.512 50 HD21 LEU 6 1HD2 LEU 6 7.026 4.286 11.524 51 HD22 LEU 6 2HD2 LEU 6 6.896 4.830 13.198 52 HD23 LEU 6 3HD2 LEU 6 6.261 3.252 12.729 53 H ARG 7 H ARG 7 9.457 7.061 11.394 54 HA ARG 7 HA ARG 7 6.840 7.196 10.346 55 HB2 ARG 7 2HB ARG 7 7.803 8.824 11.959 56 HB3 ARG 7 1HB ARG 7 8.865 9.416 10.691 57 HG2 ARG 7 2HG ARG 7 7.044 10.934 10.896 58 HG3 ARG 7 1HG ARG 7 6.839 10.048 9.384 59 HD2 ARG 7 2HD ARG 7 5.225 8.561 10.489 60 HD3 ARG 7 1HD ARG 7 5.423 9.469 11.988 61 HE ARG 7 HE ARG 7 4.688 11.162 9.823 62 HH11 ARG 7 1HH1 ARG 7 3.364 8.890 12.176 63 HH12 ARG 7 2HH1 ARG 7 1.771 9.553 12.087 64 HH21 ARG 7 1HH2 ARG 7 2.587 12.039 9.731 65 HH22 ARG 7 2HH2 ARG 7 1.323 11.365 10.697 66 H GLN 8 H GLN 8 10.045 7.884 8.998 67 HA GLN 8 HA GLN 8 9.139 8.919 6.545 68 HB2 GLN 8 2HB GLN 8 11.752 7.567 7.199 69 HB3 GLN 8 1HB GLN 8 11.417 8.424 5.703 70 HG2 GLN 8 2HG GLN 8 11.548 9.580 8.475 71 HG3 GLN 8 1HG GLN 8 12.682 9.836 7.153 72 HE21 GLN 8 1HE2 GLN 8 11.194 11.770 8.700 73 HE22 GLN 8 2HE2 GLN 8 10.235 12.665 7.568 74 H THR 9 H THR 9 10.037 5.593 7.478 75 HA THR 9 HA THR 9 9.815 4.493 4.905 76 HB THR 9 HB THR 9 9.263 3.097 7.541 77 HG1 THR 9 1HG THR 9 11.473 4.207 6.741 78 HG21 THR 9 1HG2 THR 9 9.849 1.051 6.339 79 HG22 THR 9 2HG2 THR 9 10.094 1.974 4.858 80 HG23 THR 9 3HG2 THR 9 8.482 1.844 5.557 81 H GLY 10 H GLY 10 7.382 4.905 7.459 82 HA2 GLY 10 2HA GLY 10 5.265 3.651 6.041 83 HA3 GLY 10 1HA GLY 10 5.082 4.775 7.383 84 H ASP 11 H ASP 11 6.379 6.981 6.279 85 HA ASP 11 HA ASP 11 4.305 8.193 4.803 86 HB2 ASP 11 2HB ASP 11 5.897 9.402 6.279 87 HB3 ASP 11 1HB ASP 11 7.178 9.086 5.117 88 H GLU 12 H GLU 12 7.516 7.035 3.860 89 HA GLU 12 HA GLU 12 7.326 7.788 1.155 90 HB2 GLU 12 2HB GLU 12 9.049 5.703 2.482 91 HB3 GLU 12 1HB GLU 12 9.223 6.212 0.806 92 HG2 GLU 12 2HG GLU 12 9.596 8.530 1.615 93 HG3 GLU 12 1HG GLU 12 9.583 7.906 3.262 94 H LEU 13 H LEU 13 6.406 4.858 2.858 95 HA LEU 13 HA LEU 13 5.834 3.272 0.619 96 HB2 LEU 13 2HB LEU 13 5.879 2.421 2.938 97 HB3 LEU 13 1HB LEU 13 4.429 3.335 3.298 98 HG LEU 13 HG LEU 13 3.167 1.954 1.693 99 HD11 LEU 13 1HD1 LEU 13 4.964 1.362 0.173 100 HD12 LEU 13 2HD1 LEU 13 4.183 -0.090 0.796 101 HD13 LEU 13 3HD1 LEU 13 5.746 0.416 1.437 102 HD21 LEU 13 1HD2 LEU 13 3.156 -0.100 3.017 103 HD22 LEU 13 2HD2 LEU 13 3.219 1.331 4.049 104 HD23 LEU 13 3HD2 LEU 13 4.677 0.376 3.770 105 H VAL 14 H VAL 14 3.863 5.603 2.420 106 HA VAL 14 HA VAL 14 1.522 5.386 0.876 107 HB VAL 14 HB VAL 14 2.593 7.754 2.436 108 HG11 VAL 14 1HG1 VAL 14 0.314 8.661 2.346 109 HG12 VAL 14 2HG1 VAL 14 -0.174 7.333 1.294 110 HG13 VAL 14 3HG1 VAL 14 1.003 8.516 0.727 111 HG21 VAL 14 1HG2 VAL 14 0.544 5.645 3.106 112 HG22 VAL 14 2HG2 VAL 14 0.903 7.059 4.096 113 HG23 VAL 14 3HG2 VAL 14 2.142 5.831 3.829 114 H GLN 15 H GLN 15 4.443 7.307 0.495 115 HA GLN 15 HA GLN 15 3.590 8.983 -1.579 116 HB2 GLN 15 2HB GLN 15 6.346 7.915 -0.972 117 HB3 GLN 15 1HB GLN 15 6.018 9.175 -2.151 118 HG2 GLN 15 2HG GLN 15 5.130 10.602 -0.392 119 HG3 GLN 15 1HG GLN 15 5.430 9.332 0.794 120 HE21 GLN 15 1HE2 GLN 15 6.472 12.048 0.616 121 HE22 GLN 15 2HE2 GLN 15 8.195 11.897 0.595 122 H ALA 16 H ALA 16 4.921 5.708 -1.667 123 HA ALA 16 HA ALA 16 5.229 5.514 -4.458 124 HB1 ALA 16 1HB ALA 16 4.539 3.321 -2.499 125 HB2 ALA 16 2HB ALA 16 6.167 3.874 -2.893 126 HB3 ALA 16 3HB ALA 16 5.178 3.093 -4.127 127 H PHE 17 H PHE 17 2.484 4.727 -2.354 128 HA PHE 17 HA PHE 17 0.740 3.951 -4.456 129 HB2 PHE 17 2HB PHE 17 0.191 4.845 -1.626 130 HB3 PHE 17 1HB PHE 17 -1.067 4.298 -2.730 131 HD1 PHE 17 1HD PHE 17 1.750 3.307 -0.652 132 HD2 PHE 17 2HD PHE 17 -1.191 1.971 -3.409 133 HE1 PHE 17 1HE PHE 17 2.201 0.983 0.002 134 HE2 PHE 17 2HE PHE 17 -0.752 -0.353 -2.760 135 HZ PHE 17 HZ PHE 17 0.954 -0.850 -1.051 136 H GLN 18 H GLN 18 1.340 6.989 -2.791 137 HA GLN 18 HA GLN 18 -0.721 8.479 -3.965 138 HB2 GLN 18 2HB GLN 18 0.734 9.082 -1.972 139 HB3 GLN 18 1HB GLN 18 1.979 9.528 -3.128 140 HG2 GLN 18 2HG GLN 18 0.734 11.450 -2.324 141 HG3 GLN 18 1HG GLN 18 0.552 11.223 -4.060 142 HE21 GLN 18 1HE2 GLN 18 -1.370 12.416 -4.092 143 HE22 GLN 18 2HE2 GLN 18 -2.847 11.791 -3.447 144 H ARG 19 H ARG 19 2.589 7.781 -4.961 145 HA ARG 19 HA ARG 19 2.626 9.397 -7.288 146 HB2 ARG 19 2HB ARG 19 4.601 8.240 -6.102 147 HB3 ARG 19 1HB ARG 19 4.111 6.787 -6.958 148 HG2 ARG 19 2HG ARG 19 4.243 8.483 -9.025 149 HG3 ARG 19 1HG ARG 19 5.436 9.224 -7.959 150 HD2 ARG 19 2HD ARG 19 5.411 6.378 -8.959 151 HD3 ARG 19 1HD ARG 19 6.525 7.653 -9.435 152 HE ARG 19 HE ARG 19 6.822 7.391 -6.702 153 HH11 ARG 19 1HH1 ARG 19 7.228 5.376 -9.531 154 HH12 ARG 19 2HH1 ARG 19 8.392 4.321 -8.797 155 HH21 ARG 19 1HH2 ARG 19 8.423 6.003 -5.724 156 HH22 ARG 19 2HH2 ARG 19 9.085 4.690 -6.648 157 H LEU 20 H LEU 20 1.653 6.096 -6.593 158 HA LEU 20 HA LEU 20 1.159 5.176 -9.193 159 HB2 LEU 20 2HB LEU 20 1.233 3.861 -7.006 160 HB3 LEU 20 1HB LEU 20 -0.409 4.411 -6.736 161 HG LEU 20 HG LEU 20 -0.999 3.313 -8.946 162 HD11 LEU 20 1HD1 LEU 20 0.492 1.529 -9.697 163 HD12 LEU 20 2HD1 LEU 20 1.694 2.037 -8.511 164 HD13 LEU 20 3HD1 LEU 20 1.254 3.114 -9.836 165 HD21 LEU 20 1HD2 LEU 20 -1.614 2.364 -6.789 166 HD22 LEU 20 2HD2 LEU 20 -0.036 1.587 -6.667 167 HD23 LEU 20 3HD2 LEU 20 -1.167 1.091 -7.925 168 H ARG 21 H ARG 21 -0.839 6.931 -6.882 169 HA ARG 21 HA ARG 21 -3.292 6.858 -8.244 170 HB2 ARG 21 2HB ARG 21 -2.701 7.715 -5.866 171 HB3 ARG 21 1HB ARG 21 -2.412 9.251 -6.675 172 HG2 ARG 21 2HG ARG 21 -4.736 9.043 -7.629 173 HG3 ARG 21 1HG ARG 21 -4.975 7.702 -6.509 174 HD2 ARG 21 2HD ARG 21 -4.365 10.567 -5.852 175 HD3 ARG 21 1HD ARG 21 -5.843 9.676 -5.501 176 HE ARG 21 HE ARG 21 -3.235 9.204 -4.204 177 HH11 ARG 21 1HH1 ARG 21 -6.749 9.055 -4.136 178 HH12 ARG 21 2HH1 ARG 21 -6.827 8.668 -2.456 179 HH21 ARG 21 1HH2 ARG 21 -3.341 8.703 -1.965 180 HH22 ARG 21 2HH2 ARG 21 -4.884 8.489 -1.205 181 H GLU 22 H GLU 22 -0.575 9.099 -8.437 182 HA GLU 22 HA GLU 22 -1.704 10.933 -10.250 183 HB2 GLU 22 2HB GLU 22 1.199 10.174 -9.882 184 HB3 GLU 22 1HB GLU 22 0.608 11.628 -10.673 185 HG2 GLU 22 2HG GLU 22 0.144 10.930 -7.785 186 HG3 GLU 22 1HG GLU 22 1.400 12.013 -8.381 187 H ILE 23 H ILE 23 0.269 8.053 -10.700 188 HA ILE 23 HA ILE 23 0.482 8.147 -13.497 189 HB ILE 23 HB ILE 23 0.504 5.781 -11.617 190 HG12 ILE 23 2HG1 ILE 23 2.737 7.382 -12.870 191 HG13 ILE 23 1HG1 ILE 23 2.233 7.461 -11.187 192 HG21 ILE 23 1HG2 ILE 23 0.005 5.072 -13.903 193 HG22 ILE 23 2HG2 ILE 23 1.617 4.556 -13.407 194 HG23 ILE 23 3HG2 ILE 23 1.425 5.940 -14.481 195 HD11 ILE 23 1HD1 ILE 23 2.884 5.136 -10.890 196 HD12 ILE 23 2HD1 ILE 23 4.231 6.133 -11.443 197 HD13 ILE 23 3HD1 ILE 23 3.397 5.068 -12.576 198 H PHE 24 H PHE 24 -1.888 6.671 -11.360 199 HA PHE 24 HA PHE 24 -3.514 5.433 -13.273 200 HB2 PHE 24 2HB PHE 24 -3.874 4.876 -10.998 201 HB3 PHE 24 1HB PHE 24 -4.028 6.560 -10.523 202 HD1 PHE 24 1HD PHE 24 -5.712 3.934 -12.557 203 HD2 PHE 24 2HD PHE 24 -6.122 7.485 -10.250 204 HE1 PHE 24 1HE PHE 24 -8.157 3.742 -12.699 205 HE2 PHE 24 2HE PHE 24 -8.567 7.302 -10.387 206 HZ PHE 24 HZ PHE 24 -9.592 5.433 -11.606 207 H ASP 25 H ASP 25 -3.452 8.711 -12.014 208 HA ASP 25 HA ASP 25 -5.770 9.690 -13.285 209 HB2 ASP 25 2HB ASP 25 -4.736 10.871 -11.429 210 HB3 ASP 25 1HB ASP 25 -3.270 11.126 -12.365 211 H LYS 26 H LYS 26 -2.446 9.344 -14.371 212 HA LYS 26 HA LYS 26 -2.963 10.867 -16.800 213 HB2 LYS 26 2HB LYS 26 -0.440 9.350 -16.139 214 HB3 LYS 26 1HB LYS 26 -0.633 10.675 -17.275 215 HG2 LYS 26 2HG LYS 26 -0.721 10.813 -14.269 216 HG3 LYS 26 1HG LYS 26 0.499 11.497 -15.343 217 HD2 LYS 26 2HD LYS 26 -1.128 13.053 -16.243 218 HD3 LYS 26 1HD LYS 26 -2.401 12.321 -15.265 219 HE2 LYS 26 2HE LYS 26 -1.091 12.944 -13.230 220 HE3 LYS 26 1HE LYS 26 0.014 13.832 -14.280 221 HZ1 LYS 26 1HZ LYS 26 -1.665 15.273 -13.299 222 HZ2 LYS 26 2HZ LYS 26 -2.894 14.346 -14.004 223 HZ3 LYS 26 3HZ LYS 26 -1.826 15.224 -14.985 224 H GLY 27 H GLY 27 -3.108 7.621 -15.761 225 HA2 GLY 27 2HA GLY 27 -3.801 5.736 -16.899 226 HA3 GLY 27 1HA GLY 27 -3.986 6.730 -18.338 227 H ASP 28 H ASP 28 -0.986 6.585 -16.591 228 HA ASP 28 HA ASP 28 0.323 5.603 -18.987 229 HB2 ASP 28 2HB ASP 28 1.210 7.535 -17.638 230 HB3 ASP 28 1HB ASP 28 1.618 6.381 -16.375 231 H ASP 29 H ASP 29 -0.145 3.477 -19.150 232 HA ASP 29 HA ASP 29 -0.160 1.634 -17.016 233 HB2 ASP 29 2HB ASP 29 -0.193 -0.093 -18.825 234 HB3 ASP 29 1HB ASP 29 -1.431 1.148 -18.979 235 H ASP 30 H ASP 30 2.442 2.751 -19.063 236 HA ASP 30 HA ASP 30 4.152 0.519 -18.690 237 HB2 ASP 30 2HB ASP 30 4.679 3.348 -19.553 238 HB3 ASP 30 1HB ASP 30 5.990 2.192 -19.335 239 H SER 31 H SER 31 4.100 3.693 -17.087 240 HA SER 31 HA SER 31 6.118 2.923 -15.236 241 HB2 SER 31 2HB SER 31 5.437 5.016 -14.009 242 HB3 SER 31 1HB SER 31 5.902 5.256 -15.692 243 HG SER 31 HG SER 31 3.672 5.282 -16.222 244 H LEU 32 H LEU 32 2.659 2.657 -15.302 245 HA LEU 32 HA LEU 32 2.082 2.382 -12.581 246 HB2 LEU 32 2HB LEU 32 0.425 2.597 -14.436 247 HB3 LEU 32 1HB LEU 32 0.769 0.941 -14.889 248 HG LEU 32 HG LEU 32 0.017 0.335 -12.505 249 HD11 LEU 32 1HD1 LEU 32 -1.209 3.074 -12.737 250 HD12 LEU 32 2HD1 LEU 32 0.050 2.595 -11.601 251 HD13 LEU 32 3HD1 LEU 32 -1.559 1.881 -11.486 252 HD21 LEU 32 1HD2 LEU 32 -1.252 -0.210 -14.513 253 HD22 LEU 32 2HD2 LEU 32 -1.978 1.397 -14.502 254 HD23 LEU 32 3HD2 LEU 32 -2.323 0.263 -13.195 255 H GLU 33 H GLU 33 2.936 -0.106 -14.988 256 HA GLU 33 HA GLU 33 2.785 -2.331 -13.277 257 HB2 GLU 33 2HB GLU 33 4.557 -1.912 -15.691 258 HB3 GLU 33 1HB GLU 33 4.248 -3.460 -14.922 259 HG2 GLU 33 2HG GLU 33 2.182 -1.722 -16.253 260 HG3 GLU 33 1HG GLU 33 2.939 -3.149 -16.956 261 H GLN 34 H GLN 34 5.403 -0.097 -13.975 262 HA GLN 34 HA GLN 34 7.450 -1.540 -12.660 263 HB2 GLN 34 2HB GLN 34 7.276 1.398 -13.321 264 HB3 GLN 34 1HB GLN 34 8.733 0.557 -12.813 265 HG2 GLN 34 2HG GLN 34 7.161 0.007 -15.319 266 HG3 GLN 34 1HG GLN 34 8.687 0.883 -15.223 267 HE21 GLN 34 1HE2 GLN 34 10.575 -0.252 -14.801 268 HE22 GLN 34 2HE2 GLN 34 10.678 -1.969 -14.971 269 H VAL 35 H VAL 35 5.394 1.159 -11.615 270 HA VAL 35 HA VAL 35 6.604 1.466 -9.083 271 HB VAL 35 HB VAL 35 3.778 2.167 -9.912 272 HG11 VAL 35 1HG1 VAL 35 5.412 3.132 -7.559 273 HG12 VAL 35 2HG1 VAL 35 4.010 2.067 -7.474 274 HG13 VAL 35 3HG1 VAL 35 3.819 3.733 -8.023 275 HG21 VAL 35 1HG2 VAL 35 6.320 3.778 -9.868 276 HG22 VAL 35 2HG2 VAL 35 4.715 4.431 -10.183 277 HG23 VAL 35 3HG2 VAL 35 5.424 3.261 -11.295 278 H LEU 36 H LEU 36 4.006 -0.617 -10.215 279 HA LEU 36 HA LEU 36 3.136 -1.540 -7.708 280 HB2 LEU 36 2HB LEU 36 3.230 -3.002 -10.349 281 HB3 LEU 36 1HB LEU 36 2.356 -3.556 -8.935 282 HG LEU 36 HG LEU 36 1.777 -1.020 -10.470 283 HD11 LEU 36 1HD1 LEU 36 -0.254 -2.162 -11.172 284 HD12 LEU 36 2HD1 LEU 36 0.277 -3.624 -10.341 285 HD13 LEU 36 3HD1 LEU 36 1.187 -3.014 -11.722 286 HD21 LEU 36 1HD2 LEU 36 -0.247 -0.920 -9.081 287 HD22 LEU 36 2HD2 LEU 36 1.225 -0.765 -8.124 288 HD23 LEU 36 3HD2 LEU 36 0.341 -2.292 -8.142 289 H GLU 37 H GLU 37 5.827 -2.502 -9.758 290 HA GLU 37 HA GLU 37 6.660 -4.752 -8.252 291 HB2 GLU 37 2HB GLU 37 8.289 -2.869 -9.974 292 HB3 GLU 37 1HB GLU 37 8.837 -4.432 -9.384 293 HG2 GLU 37 2HG GLU 37 6.485 -4.010 -11.212 294 HG3 GLU 37 1HG GLU 37 8.106 -4.463 -11.735 295 H GLU 38 H GLU 38 7.436 -1.315 -8.135 296 HA GLU 38 HA GLU 38 9.388 -1.397 -6.115 297 HB2 GLU 38 2HB GLU 38 7.436 0.761 -6.905 298 HB3 GLU 38 1HB GLU 38 8.700 1.007 -5.719 299 HG2 GLU 38 2HG GLU 38 10.379 0.511 -7.445 300 HG3 GLU 38 1HG GLU 38 9.076 0.339 -8.625 301 H ILE 39 H ILE 39 5.904 -0.936 -5.992 302 HA ILE 39 HA ILE 39 5.643 -0.548 -3.239 303 HB ILE 39 HB ILE 39 3.718 -1.743 -5.241 304 HG12 ILE 39 2HG1 ILE 39 3.846 1.011 -3.993 305 HG13 ILE 39 1HG1 ILE 39 4.386 0.609 -5.618 306 HG21 ILE 39 1HG2 ILE 39 1.945 -1.330 -3.600 307 HG22 ILE 39 2HG2 ILE 39 3.162 -0.861 -2.412 308 HG23 ILE 39 3HG2 ILE 39 3.114 -2.516 -3.018 309 HD11 ILE 39 1HD1 ILE 39 1.563 0.405 -4.593 310 HD12 ILE 39 2HD1 ILE 39 2.100 0.005 -6.225 311 HD13 ILE 39 3HD1 ILE 39 2.203 1.668 -5.644 312 H GLU 40 H GLU 40 5.755 -3.471 -5.179 313 HA GLU 40 HA GLU 40 5.053 -5.316 -3.169 314 HB2 GLU 40 2HB GLU 40 5.169 -5.715 -5.673 315 HB3 GLU 40 1HB GLU 40 6.911 -5.801 -5.509 316 HG2 GLU 40 2HG GLU 40 5.047 -7.632 -4.021 317 HG3 GLU 40 1HG GLU 40 5.657 -7.991 -5.632 318 H GLU 41 H GLU 41 8.167 -4.071 -4.268 319 HA GLU 41 HA GLU 41 9.779 -5.578 -2.515 320 HB2 GLU 41 2HB GLU 41 10.628 -4.487 -4.546 321 HB3 GLU 41 1HB GLU 41 10.321 -2.912 -3.834 322 HG2 GLU 41 2HG GLU 41 12.685 -3.573 -3.753 323 HG3 GLU 41 1HG GLU 41 11.990 -3.284 -2.159 324 H LEU 42 H LEU 42 8.388 -2.321 -2.271 325 HA LEU 42 HA LEU 42 9.586 -1.607 0.171 326 HB2 LEU 42 2HB LEU 42 6.923 -0.719 -0.940 327 HB3 LEU 42 1HB LEU 42 7.783 0.056 0.373 328 HG LEU 42 HG LEU 42 8.741 -0.129 -2.478 329 HD11 LEU 42 1HD1 LEU 42 7.670 2.205 -0.899 330 HD12 LEU 42 2HD1 LEU 42 6.854 1.383 -2.230 331 HD13 LEU 42 3HD1 LEU 42 8.341 2.283 -2.529 332 HD21 LEU 42 1HD2 LEU 42 9.929 1.274 -0.084 333 HD22 LEU 42 2HD2 LEU 42 10.497 1.430 -1.745 334 HD23 LEU 42 3HD2 LEU 42 10.606 -0.123 -0.920 335 H ILE 43 H ILE 43 6.575 -3.290 -0.553 336 HA ILE 43 HA ILE 43 5.550 -3.397 2.057 337 HB ILE 43 HB ILE 43 5.180 -5.318 -0.254 338 HG12 ILE 43 2HG1 ILE 43 3.338 -3.207 0.887 339 HG13 ILE 43 1HG1 ILE 43 4.337 -2.997 -0.547 340 HG21 ILE 43 1HG2 ILE 43 3.665 -5.223 2.358 341 HG22 ILE 43 2HG2 ILE 43 4.751 -6.508 1.833 342 HG23 ILE 43 3HG2 ILE 43 3.244 -6.218 0.963 343 HD11 ILE 43 1HD1 ILE 43 2.111 -4.995 -0.214 344 HD12 ILE 43 2HD1 ILE 43 3.117 -4.806 -1.649 345 HD13 ILE 43 3HD1 ILE 43 2.046 -3.498 -1.145 346 H GLN 44 H GLN 44 7.800 -5.541 0.358 347 HA GLN 44 HA GLN 44 7.920 -7.532 2.357 348 HB2 GLN 44 2HB GLN 44 10.004 -6.739 0.324 349 HB3 GLN 44 1HB GLN 44 10.043 -8.205 1.288 350 HG2 GLN 44 2HG GLN 44 8.008 -7.471 -0.798 351 HG3 GLN 44 1HG GLN 44 9.274 -8.688 -0.930 352 HE21 GLN 44 1HE2 GLN 44 6.462 -9.040 -1.265 353 HE22 GLN 44 2HE2 GLN 44 5.944 -10.185 -0.070 354 H LYS 45 H LYS 45 9.984 -4.714 1.706 355 HA LYS 45 HA LYS 45 11.768 -5.180 3.845 356 HB2 LYS 45 2HB LYS 45 11.084 -2.534 2.551 357 HB3 LYS 45 1HB LYS 45 12.501 -2.867 3.533 358 HG2 LYS 45 2HG LYS 45 13.100 -4.621 1.785 359 HG3 LYS 45 1HG LYS 45 11.861 -3.871 0.779 360 HD2 LYS 45 2HD LYS 45 13.028 -1.699 1.034 361 HD3 LYS 45 1HD LYS 45 14.298 -2.521 1.938 362 HE2 LYS 45 2HE LYS 45 13.557 -2.853 -0.958 363 HE3 LYS 45 1HE LYS 45 15.089 -2.314 -0.282 364 HZ1 LYS 45 1HZ LYS 45 13.956 -5.041 -0.343 365 HZ2 LYS 45 2HZ LYS 45 15.181 -4.636 0.752 366 HZ3 LYS 45 3HZ LYS 45 15.460 -4.513 -0.909 367 H HIS 46 H HIS 46 8.865 -3.183 3.568 368 HA HIS 46 HA HIS 46 8.954 -2.087 6.152 369 HB2 HIS 46 2HB HIS 46 7.508 -1.215 4.339 370 HB3 HIS 46 1HB HIS 46 6.515 -2.664 4.449 371 HD1 HIS 46 1HD HIS 46 4.615 -2.590 6.118 372 HD2 HIS 46 2HD HIS 46 7.421 0.417 6.722 373 HE1 HIS 46 1HE HIS 46 3.674 -1.094 7.923 374 H ARG 47 H ARG 47 7.651 -5.101 4.909 375 HA ARG 47 HA ARG 47 6.203 -5.919 7.180 376 HB2 ARG 47 2HB ARG 47 5.951 -6.983 4.990 377 HB3 ARG 47 1HB ARG 47 7.601 -7.579 5.075 378 HG2 ARG 47 2HG ARG 47 6.963 -8.913 7.065 379 HG3 ARG 47 1HG ARG 47 5.293 -8.391 6.825 380 HD2 ARG 47 2HD ARG 47 5.616 -10.574 5.843 381 HD3 ARG 47 1HD ARG 47 5.330 -9.387 4.575 382 HE ARG 47 HE ARG 47 7.833 -9.397 4.287 383 HH11 ARG 47 1HH1 ARG 47 6.151 -12.179 5.576 384 HH12 ARG 47 2HH1 ARG 47 7.321 -13.325 5.024 385 HH21 ARG 47 1HH2 ARG 47 9.397 -10.909 3.524 386 HH22 ARG 47 2HH2 ARG 47 9.171 -12.592 3.845 387 H GLN 48 H GLN 48 9.566 -6.467 6.209 388 HA GLN 48 HA GLN 48 10.222 -8.127 8.400 389 HB2 GLN 48 2HB GLN 48 12.028 -6.394 6.707 390 HB3 GLN 48 1HB GLN 48 12.564 -7.670 7.793 391 HG2 GLN 48 2HG GLN 48 10.936 -7.966 5.285 392 HG3 GLN 48 1HG GLN 48 12.583 -8.526 5.576 393 HE21 GLN 48 1HE2 GLN 48 12.908 -10.303 6.909 394 HE22 GLN 48 2HE2 GLN 48 11.643 -11.426 7.259 395 H LEU 49 H LEU 49 10.427 -4.669 7.847 396 HA LEU 49 HA LEU 49 11.661 -4.032 10.306 397 HB2 LEU 49 2HB LEU 49 9.854 -2.368 8.551 398 HB3 LEU 49 1HB LEU 49 10.803 -1.746 9.885 399 HG LEU 49 HG LEU 49 11.912 -2.973 7.361 400 HD11 LEU 49 1HD1 LEU 49 12.678 -0.708 6.869 401 HD12 LEU 49 2HD1 LEU 49 11.852 -0.115 8.310 402 HD13 LEU 49 3HD1 LEU 49 10.920 -0.792 6.975 403 HD21 LEU 49 1HD2 LEU 49 13.312 -1.709 9.716 404 HD22 LEU 49 2HD2 LEU 49 14.084 -2.196 8.208 405 HD23 LEU 49 3HD2 LEU 49 13.363 -3.413 9.260 406 H PHE 50 H PHE 50 8.338 -4.566 9.327 407 HA PHE 50 HA PHE 50 7.144 -3.539 11.698 408 HB2 PHE 50 2HB PHE 50 5.909 -3.812 9.562 409 HB3 PHE 50 1HB PHE 50 6.021 -5.559 9.743 410 HD1 PHE 50 1HD PHE 50 4.974 -2.646 11.835 411 HD2 PHE 50 2HD PHE 50 4.112 -6.585 10.481 412 HE1 PHE 50 1HE PHE 50 2.888 -2.632 13.136 413 HE2 PHE 50 2HE PHE 50 2.025 -6.580 11.782 414 HZ PHE 50 HZ PHE 50 1.410 -4.601 13.112 415 H ASP 51 H ASP 51 8.296 -6.709 10.705 416 HA ASP 51 HA ASP 51 7.311 -8.174 12.909 417 HB2 ASP 51 2HB ASP 51 8.192 -9.230 10.839 418 HB3 ASP 51 1HB ASP 51 9.807 -8.691 11.270 419 H ASN 52 H ASN 52 10.274 -6.364 12.381 420 HA ASN 52 HA ASN 52 11.446 -7.065 14.896 421 HB2 ASN 52 2HB ASN 52 12.799 -6.391 12.927 422 HB3 ASN 52 1HB ASN 52 12.124 -4.769 13.036 423 HD21 ASN 52 1HD2 ASN 52 14.213 -3.908 13.284 424 HD22 ASN 52 2HD2 ASN 52 15.067 -4.040 14.778 425 H ARG 53 H ARG 53 9.405 -4.464 13.739 426 HA ARG 53 HA ARG 53 9.704 -2.833 16.078 427 HB2 ARG 53 2HB ARG 53 7.813 -2.763 13.745 428 HB3 ARG 53 1HB ARG 53 7.608 -1.690 15.122 429 HG2 ARG 53 2HG ARG 53 9.756 -0.690 14.735 430 HG3 ARG 53 1HG ARG 53 10.111 -1.860 13.461 431 HD2 ARG 53 2HD ARG 53 7.827 0.108 13.388 432 HD3 ARG 53 1HD ARG 53 9.388 0.362 12.610 433 HE ARG 53 HE ARG 53 8.436 -2.077 11.723 434 HH11 ARG 53 1HH1 ARG 53 7.427 1.276 11.555 435 HH12 ARG 53 2HH1 ARG 53 6.674 1.117 10.007 436 HH21 ARG 53 1HH2 ARG 53 7.407 -2.301 9.651 437 HH22 ARG 53 2HH2 ARG 53 6.652 -0.922 8.932 438 H GLN 54 H GLN 54 7.362 -5.240 15.004 439 HA GLN 54 HA GLN 54 6.383 -5.358 17.748 440 HB2 GLN 54 2HB GLN 54 4.832 -3.903 16.403 441 HB3 GLN 54 1HB GLN 54 4.501 -5.293 15.380 442 HG2 GLN 54 2HG GLN 54 3.639 -6.502 17.335 443 HG3 GLN 54 1HG GLN 54 3.933 -5.078 18.328 444 HE21 GLN 54 1HE2 GLN 54 1.451 -6.463 17.798 445 HE22 GLN 54 2HE2 GLN 54 0.381 -5.304 17.091 446 H GLU 55 H GLU 55 5.215 -6.867 14.746 447 HA GLU 55 HA GLU 55 6.603 -9.287 14.969 448 HB2 GLU 55 2HB GLU 55 4.849 -10.793 15.781 449 HB3 GLU 55 1HB GLU 55 5.273 -9.620 17.017 450 HG2 GLU 55 2HG GLU 55 3.273 -8.339 16.523 451 HG3 GLU 55 1HG GLU 55 2.866 -9.445 15.214 452 H ALA 56 H ALA 56 6.298 -10.499 13.149 453 HA ALA 56 HA ALA 56 3.867 -10.334 11.636 454 HB1 ALA 56 1HB ALA 56 6.352 -9.256 10.314 455 HB2 ALA 56 2HB ALA 56 5.061 -8.252 10.961 456 HB3 ALA 56 3HB ALA 56 4.731 -9.358 9.628 457 H ALA 57 H ALA 57 3.831 -12.554 11.874 458 HA ALA 57 HA ALA 57 6.034 -14.135 10.881 459 HB1 ALA 57 1HB ALA 57 4.609 -16.058 11.413 460 HB2 ALA 57 2HB ALA 57 3.264 -14.969 11.755 461 HB3 ALA 57 3HB ALA 57 4.703 -14.940 12.774 462 H ASP 58 H ASP 58 5.941 -15.475 9.030 463 HA ASP 58 HA ASP 58 4.797 -14.244 6.780 464 HB2 ASP 58 2HB ASP 58 5.976 -17.002 7.126 465 HB3 ASP 58 1HB ASP 58 5.452 -16.364 5.572 466 H THR 59 H THR 59 3.649 -16.794 8.856 467 HA THR 59 HA THR 59 1.570 -17.802 7.291 468 HB THR 59 HB THR 59 1.522 -17.433 10.295 469 HG1 THR 59 1HG THR 59 2.440 -19.747 9.991 470 HG21 THR 59 1HG2 THR 59 0.203 -19.501 10.259 471 HG22 THR 59 2HG2 THR 59 0.309 -19.543 8.500 472 HG23 THR 59 3HG2 THR 59 -0.575 -18.242 9.297 473 H GLU 60 H GLU 60 1.698 -15.031 9.490 474 HA GLU 60 HA GLU 60 -1.060 -14.332 9.247 475 HB2 GLU 60 2HB GLU 60 1.244 -12.572 10.098 476 HB3 GLU 60 1HB GLU 60 -0.457 -12.343 10.472 477 HG2 GLU 60 2HG GLU 60 -0.454 -14.291 11.887 478 HG3 GLU 60 1HG GLU 60 1.208 -14.659 11.430 479 H ALA 61 H ALA 61 1.966 -13.184 7.858 480 HA ALA 61 HA ALA 61 0.922 -11.029 6.393 481 HB1 ALA 61 1HB ALA 61 3.405 -12.636 5.816 482 HB2 ALA 61 2HB ALA 61 3.299 -11.286 6.945 483 HB3 ALA 61 3HB ALA 61 3.043 -11.016 5.221 484 H ALA 62 H ALA 62 1.444 -14.414 5.510 485 HA ALA 62 HA ALA 62 0.881 -14.096 2.762 486 HB1 ALA 62 1HB ALA 62 2.080 -16.031 3.674 487 HB2 ALA 62 2HB ALA 62 0.697 -16.516 2.695 488 HB3 ALA 62 3HB ALA 62 0.596 -16.574 4.455 489 H LYS 63 H LYS 63 -1.173 -14.780 5.545 490 HA LYS 63 HA LYS 63 -3.474 -15.409 3.981 491 HB2 LYS 63 2HB LYS 63 -3.144 -16.194 6.315 492 HB3 LYS 63 1HB LYS 63 -3.349 -14.543 6.873 493 HG2 LYS 63 2HG LYS 63 -5.625 -14.517 5.971 494 HG3 LYS 63 1HG LYS 63 -5.423 -16.179 5.423 495 HD2 LYS 63 2HD LYS 63 -5.079 -15.413 8.312 496 HD3 LYS 63 1HD LYS 63 -6.663 -15.778 7.638 497 HE2 LYS 63 2HE LYS 63 -5.836 -17.775 8.655 498 HE3 LYS 63 1HE LYS 63 -5.754 -17.997 6.913 499 HZ1 LYS 63 1HZ LYS 63 -3.415 -17.679 6.954 500 HZ2 LYS 63 2HZ LYS 63 -3.776 -18.770 8.189 501 HZ3 LYS 63 3HZ LYS 63 -3.437 -17.161 8.563 502 H GLN 64 H GLN 64 -2.398 -12.489 5.711 503 HA GLN 64 HA GLN 64 -4.717 -10.983 4.947 504 HB2 GLN 64 2HB GLN 64 -2.053 -10.041 6.026 505 HB3 GLN 64 1HB GLN 64 -3.484 -9.036 5.852 506 HG2 GLN 64 2HG GLN 64 -3.198 -11.439 7.644 507 HG3 GLN 64 1HG GLN 64 -3.207 -9.750 8.148 508 HE21 GLN 64 1HE2 GLN 64 -5.320 -8.999 6.286 509 HE22 GLN 64 2HE2 GLN 64 -6.783 -9.666 6.912 510 H GLY 65 H GLY 65 -1.510 -11.454 3.689 511 HA2 GLY 65 2HA GLY 65 -1.377 -9.322 1.887 512 HA3 GLY 65 1HA GLY 65 -0.498 -10.837 1.748 513 H ASP 66 H ASP 66 -2.905 -12.466 1.605 514 HA ASP 66 HA ASP 66 -3.164 -12.553 -1.187 515 HB2 ASP 66 2HB ASP 66 -3.582 -14.459 0.399 516 HB3 ASP 66 1HB ASP 66 -5.117 -13.705 0.814 517 H GLN 67 H GLN 67 -5.273 -11.150 1.289 518 HA GLN 67 HA GLN 67 -7.295 -10.322 -0.547 519 HB2 GLN 67 2HB GLN 67 -6.666 -9.423 2.271 520 HB3 GLN 67 1HB GLN 67 -8.014 -8.789 1.346 521 HG2 GLN 67 2HG GLN 67 -8.912 -10.436 2.756 522 HG3 GLN 67 1HG GLN 67 -8.840 -11.168 1.156 523 HE21 GLN 67 1HE2 GLN 67 -7.505 -11.133 4.358 524 HE22 GLN 67 2HE2 GLN 67 -6.655 -12.634 4.230 525 H TRP 68 H TRP 68 -4.417 -8.827 0.802 526 HA TRP 68 HA TRP 68 -4.915 -6.211 -0.104 527 HB2 TRP 68 2HB TRP 68 -3.343 -6.659 1.683 528 HB3 TRP 68 1HB TRP 68 -2.351 -7.640 0.613 529 HD1 TRP 68 HD TRP 68 -0.542 -6.451 -0.722 530 HE1 TRP 68 1HE TRP 68 0.238 -3.999 -0.959 531 HE3 TRP 68 3HE TRP 68 -4.396 -4.145 1.689 532 HZ2 TRP 68 2HZ TRP 68 -0.676 -1.437 -0.213 533 HZ3 TRP 68 3HZ TRP 68 -4.369 -1.689 1.882 534 HH2 TRP 68 HH TRP 68 -2.548 -0.372 0.953 535 H VAL 69 H VAL 69 -3.021 -8.896 -1.453 536 HA VAL 69 HA VAL 69 -2.175 -7.574 -3.791 537 HB VAL 69 HB VAL 69 -2.625 -10.535 -3.314 538 HG11 VAL 69 1HG1 VAL 69 -1.162 -10.907 -5.240 539 HG12 VAL 69 2HG1 VAL 69 -1.093 -9.168 -5.527 540 HG13 VAL 69 3HG1 VAL 69 -2.620 -10.031 -5.708 541 HG21 VAL 69 1HG2 VAL 69 -0.122 -8.853 -3.193 542 HG22 VAL 69 2HG2 VAL 69 -0.190 -10.604 -3.001 543 HG23 VAL 69 3HG2 VAL 69 -0.973 -9.558 -1.818 544 H GLN 70 H GLN 70 -5.072 -9.391 -2.995 545 HA GLN 70 HA GLN 70 -6.156 -9.623 -5.568 546 HB2 GLN 70 2HB GLN 70 -6.873 -10.778 -3.401 547 HB3 GLN 70 1HB GLN 70 -7.776 -9.312 -3.056 548 HG2 GLN 70 2HG GLN 70 -9.024 -9.600 -5.132 549 HG3 GLN 70 1HG GLN 70 -8.145 -11.094 -5.447 550 HE21 GLN 70 1HE2 GLN 70 -8.521 -12.891 -4.121 551 HE22 GLN 70 2HE2 GLN 70 -9.961 -13.023 -3.174 552 H LEU 71 H LEU 71 -6.110 -6.976 -3.275 553 HA LEU 71 HA LEU 71 -8.180 -5.435 -4.318 554 HB2 LEU 71 2HB LEU 71 -7.259 -4.953 -2.166 555 HB3 LEU 71 1HB LEU 71 -5.655 -4.735 -2.835 556 HG LEU 71 HG LEU 71 -6.491 -2.763 -4.044 557 HD11 LEU 71 1HD1 LEU 71 -8.863 -3.277 -4.096 558 HD12 LEU 71 2HD1 LEU 71 -8.601 -1.726 -3.297 559 HD13 LEU 71 3HD1 LEU 71 -8.947 -3.164 -2.338 560 HD21 LEU 71 1HD2 LEU 71 -6.512 -1.288 -2.075 561 HD22 LEU 71 2HD2 LEU 71 -5.259 -2.525 -1.967 562 HD23 LEU 71 3HD2 LEU 71 -6.750 -2.697 -1.042 563 H PHE 72 H PHE 72 -4.739 -5.663 -5.144 564 HA PHE 72 HA PHE 72 -4.749 -3.570 -7.065 565 HB2 PHE 72 2HB PHE 72 -2.927 -5.970 -6.790 566 HB3 PHE 72 1HB PHE 72 -2.653 -4.642 -7.908 567 HD1 PHE 72 1HD PHE 72 -2.452 -5.766 -4.478 568 HD2 PHE 72 2HD PHE 72 -2.069 -2.411 -7.057 569 HE1 PHE 72 1HE PHE 72 -1.224 -4.565 -2.722 570 HE2 PHE 72 2HE PHE 72 -0.840 -1.197 -5.305 571 HZ PHE 72 HZ PHE 72 -0.415 -2.280 -3.131 572 H GLN 73 H GLN 73 -5.343 -7.022 -7.209 573 HA GLN 73 HA GLN 73 -5.520 -7.240 -10.020 574 HB2 GLN 73 2HB GLN 73 -6.844 -8.923 -7.885 575 HB3 GLN 73 1HB GLN 73 -6.672 -9.369 -9.578 576 HG2 GLN 73 2HG GLN 73 -4.252 -9.378 -9.348 577 HG3 GLN 73 1HG GLN 73 -4.402 -8.886 -7.663 578 HE21 GLN 73 1HE2 GLN 73 -3.179 -11.247 -8.832 579 HE22 GLN 73 2HE2 GLN 73 -3.959 -12.604 -8.102 580 H ARG 74 H ARG 74 -7.912 -6.639 -7.496 581 HA ARG 74 HA ARG 74 -10.177 -6.493 -9.183 582 HB2 ARG 74 2HB ARG 74 -10.286 -6.752 -6.716 583 HB3 ARG 74 1HB ARG 74 -9.692 -5.110 -6.534 584 HG2 ARG 74 2HG ARG 74 -11.695 -4.240 -7.596 585 HG3 ARG 74 1HG ARG 74 -12.283 -5.880 -7.866 586 HD2 ARG 74 2HD ARG 74 -11.807 -4.543 -5.204 587 HD3 ARG 74 1HD ARG 74 -13.368 -4.947 -5.918 588 HE ARG 74 HE ARG 74 -12.161 -7.340 -5.810 589 HH11 ARG 74 1HH1 ARG 74 -12.644 -4.853 -3.380 590 HH12 ARG 74 2HH1 ARG 74 -12.593 -5.965 -2.059 591 HH21 ARG 74 1HH2 ARG 74 -12.101 -8.804 -4.071 592 HH22 ARG 74 2HH2 ARG 74 -12.288 -8.230 -2.448 593 H PHE 75 H PHE 75 -7.789 -4.154 -8.118 594 HA PHE 75 HA PHE 75 -8.959 -1.819 -9.120 595 HB2 PHE 75 2HB PHE 75 -6.984 -1.906 -7.596 596 HB3 PHE 75 1HB PHE 75 -6.009 -2.497 -8.932 597 HD1 PHE 75 1HD PHE 75 -8.070 0.388 -7.834 598 HD2 PHE 75 2HD PHE 75 -4.928 -0.998 -10.348 599 HE1 PHE 75 1HE PHE 75 -7.538 2.711 -8.442 600 HE2 PHE 75 2HE PHE 75 -4.390 1.324 -10.960 601 HZ PHE 75 HZ PHE 75 -5.697 3.180 -10.006 602 H ARG 76 H ARG 76 -6.706 -4.123 -10.626 603 HA ARG 76 HA ARG 76 -6.561 -2.901 -13.156 604 HB2 ARG 76 2HB ARG 76 -6.333 -5.815 -12.392 605 HB3 ARG 76 1HB ARG 76 -5.968 -5.193 -13.988 606 HG2 ARG 76 2HG ARG 76 -4.202 -3.770 -12.959 607 HG3 ARG 76 1HG ARG 76 -4.520 -4.585 -11.422 608 HD2 ARG 76 2HD ARG 76 -4.003 -6.737 -12.451 609 HD3 ARG 76 1HD ARG 76 -3.697 -5.943 -13.990 610 HE ARG 76 HE ARG 76 -1.997 -5.939 -11.628 611 HH11 ARG 76 1HH1 ARG 76 -2.584 -4.656 -14.849 612 HH12 ARG 76 2HH1 ARG 76 -0.922 -4.221 -15.110 613 HH21 ARG 76 1HH2 ARG 76 0.229 -5.433 -12.034 614 HH22 ARG 76 2HH2 ARG 76 0.667 -4.706 -13.549 615 H GLU 77 H GLU 77 -8.774 -5.310 -11.830 616 HA GLU 77 HA GLU 77 -10.191 -5.929 -14.165 617 HB2 GLU 77 2HB GLU 77 -10.296 -7.220 -12.053 618 HB3 GLU 77 1HB GLU 77 -11.208 -5.911 -11.317 619 HG2 GLU 77 2HG GLU 77 -12.987 -6.256 -12.988 620 HG3 GLU 77 1HG GLU 77 -12.078 -7.622 -13.633 621 H ALA 78 H ALA 78 -10.799 -3.488 -11.671 622 HA ALA 78 HA ALA 78 -13.195 -2.484 -12.743 623 HB1 ALA 78 1HB ALA 78 -11.132 -1.064 -11.061 624 HB2 ALA 78 2HB ALA 78 -12.481 -2.025 -10.456 625 HB3 ALA 78 3HB ALA 78 -12.788 -0.525 -11.330 626 H ILE 79 H ILE 79 -9.811 -1.613 -13.319 627 HA ILE 79 HA ILE 79 -10.309 0.610 -14.998 628 HB ILE 79 HB ILE 79 -7.931 -1.271 -14.956 629 HG12 ILE 79 2HG1 ILE 79 -8.312 1.470 -13.730 630 HG13 ILE 79 1HG1 ILE 79 -8.294 -0.053 -12.847 631 HG21 ILE 79 1HG2 ILE 79 -8.060 -0.131 -17.100 632 HG22 ILE 79 2HG2 ILE 79 -6.716 0.502 -16.151 633 HG23 ILE 79 3HG2 ILE 79 -8.213 1.425 -16.285 634 HD11 ILE 79 1HD1 ILE 79 -6.181 1.113 -12.636 635 HD12 ILE 79 2HD1 ILE 79 -5.996 1.126 -14.390 636 HD13 ILE 79 3HD1 ILE 79 -5.970 -0.403 -13.512 637 H ASP 80 H ASP 80 -9.786 -2.820 -15.660 638 HA ASP 80 HA ASP 80 -9.861 -2.681 -18.465 639 HB2 ASP 80 2HB ASP 80 -9.004 -4.640 -17.322 640 HB3 ASP 80 1HB ASP 80 -10.580 -4.954 -16.607 641 H LYS 81 H LYS 81 -12.418 -3.028 -16.070 642 HA LYS 81 HA LYS 81 -14.495 -3.426 -18.001 643 HB2 LYS 81 2HB LYS 81 -14.688 -4.319 -15.756 644 HB3 LYS 81 1HB LYS 81 -14.516 -2.715 -15.065 645 HG2 LYS 81 2HG LYS 81 -16.647 -2.071 -16.114 646 HG3 LYS 81 1HG LYS 81 -16.816 -3.723 -16.715 647 HD2 LYS 81 2HD LYS 81 -16.808 -4.571 -14.450 648 HD3 LYS 81 1HD LYS 81 -16.563 -2.942 -13.822 649 HE2 LYS 81 2HE LYS 81 -18.918 -3.665 -13.661 650 HE3 LYS 81 1HE LYS 81 -18.718 -2.245 -14.687 651 HZ1 LYS 81 1HZ LYS 81 -18.831 -3.687 -16.628 652 HZ2 LYS 81 2HZ LYS 81 -20.220 -3.854 -15.679 653 HZ3 LYS 81 3HZ LYS 81 -19.023 -5.042 -15.634 654 H GLY 82 H GLY 82 -12.749 -0.737 -16.879 655 HA2 GLY 82 2HA GLY 82 -12.933 1.506 -17.334 656 HA3 GLY 82 1HA GLY 82 -14.249 1.109 -18.432 657 H ASP 83 H ASP 83 -14.213 0.239 -15.053 658 HA ASP 83 HA ASP 83 -16.650 1.805 -14.688 659 HB2 ASP 83 2HB ASP 83 -16.563 -0.634 -14.061 660 HB3 ASP 83 1HB ASP 83 -15.432 -0.197 -12.783 661 H LYS 84 H LYS 84 -16.044 3.847 -14.322 662 HA LYS 84 HA LYS 84 -13.773 4.632 -12.833 663 HB2 LYS 84 2HB LYS 84 -16.240 6.214 -13.564 664 HB3 LYS 84 1HB LYS 84 -14.746 6.900 -12.945 665 HG2 LYS 84 2HG LYS 84 -15.036 5.401 -15.545 666 HG3 LYS 84 1HG LYS 84 -14.955 7.155 -15.370 667 HD2 LYS 84 2HD LYS 84 -12.719 6.899 -14.331 668 HD3 LYS 84 1HD LYS 84 -12.810 5.165 -14.647 669 HE2 LYS 84 2HE LYS 84 -12.970 5.596 -17.036 670 HE3 LYS 84 1HE LYS 84 -12.912 7.332 -16.740 671 HZ1 LYS 84 1HZ LYS 84 -10.763 5.374 -16.152 672 HZ2 LYS 84 2HZ LYS 84 -10.699 7.021 -15.767 673 HZ3 LYS 84 3HZ LYS 84 -10.759 6.532 -17.383 674 H ASP 85 H ASP 85 -17.051 3.914 -11.910 675 HA ASP 85 HA ASP 85 -17.137 5.316 -9.464 676 HB2 ASP 85 2HB ASP 85 -18.578 2.762 -10.228 677 HB3 ASP 85 1HB ASP 85 -18.981 3.788 -8.858 678 H SER 86 H SER 86 -16.325 1.951 -10.209 679 HA SER 86 HA SER 86 -15.703 1.225 -7.559 680 HB2 SER 86 2HB SER 86 -14.689 -0.008 -10.126 681 HB3 SER 86 1HB SER 86 -14.718 -0.772 -8.535 682 HG SER 86 HG SER 86 -16.897 -0.020 -10.183 683 H LEU 87 H LEU 87 -13.785 2.637 -10.146 684 HA LEU 87 HA LEU 87 -11.227 2.195 -9.081 685 HB2 LEU 87 2HB LEU 87 -12.208 4.532 -10.720 686 HB3 LEU 87 1HB LEU 87 -10.526 4.138 -10.430 687 HG LEU 87 HG LEU 87 -12.484 2.405 -11.938 688 HD11 LEU 87 1HD1 LEU 87 -11.823 4.519 -13.079 689 HD12 LEU 87 2HD1 LEU 87 -11.329 3.052 -13.919 690 HD13 LEU 87 3HD1 LEU 87 -10.148 3.979 -12.997 691 HD21 LEU 87 1HD2 LEU 87 -10.507 1.106 -12.535 692 HD22 LEU 87 2HD2 LEU 87 -10.786 1.105 -10.795 693 HD23 LEU 87 3HD2 LEU 87 -9.522 2.123 -11.485 694 H GLU 88 H GLU 88 -13.410 4.953 -8.687 695 HA GLU 88 HA GLU 88 -11.786 6.427 -6.925 696 HB2 GLU 88 2HB GLU 88 -13.747 7.337 -8.146 697 HB3 GLU 88 1HB GLU 88 -14.806 6.393 -7.110 698 HG2 GLU 88 2HG GLU 88 -14.747 8.690 -6.381 699 HG3 GLU 88 1HG GLU 88 -14.010 7.648 -5.166 700 H GLN 89 H GLN 89 -14.354 4.061 -6.337 701 HA GLN 89 HA GLN 89 -14.377 4.247 -3.532 702 HB2 GLN 89 2HB GLN 89 -15.157 1.970 -5.350 703 HB3 GLN 89 1HB GLN 89 -15.491 2.014 -3.624 704 HG2 GLN 89 2HG GLN 89 -16.875 3.965 -3.898 705 HG3 GLN 89 1HG GLN 89 -16.464 4.052 -5.608 706 HE21 GLN 89 1HE2 GLN 89 -19.042 3.790 -4.274 707 HE22 GLN 89 2HE2 GLN 89 -19.771 2.364 -4.928 708 H LEU 90 H LEU 90 -12.479 2.204 -5.712 709 HA LEU 90 HA LEU 90 -11.307 0.606 -3.699 710 HB2 LEU 90 2HB LEU 90 -10.303 1.336 -6.447 711 HB3 LEU 90 1HB LEU 90 -9.537 0.149 -5.410 712 HG LEU 90 HG LEU 90 -12.341 -0.047 -6.513 713 HD11 LEU 90 1HD1 LEU 90 -10.648 -0.300 -8.239 714 HD12 LEU 90 2HD1 LEU 90 -11.442 -1.838 -7.898 715 HD13 LEU 90 3HD1 LEU 90 -9.827 -1.519 -7.265 716 HD21 LEU 90 1HD2 LEU 90 -12.149 -1.149 -4.360 717 HD22 LEU 90 2HD2 LEU 90 -10.700 -1.996 -4.899 718 HD23 LEU 90 3HD2 LEU 90 -12.258 -2.346 -5.650 719 H LEU 91 H LEU 91 -10.421 3.707 -5.092 720 HA LEU 91 HA LEU 91 -7.891 3.917 -3.866 721 HB2 LEU 91 2HB LEU 91 -9.810 6.060 -4.777 722 HB3 LEU 91 1HB LEU 91 -8.175 6.377 -4.234 723 HG LEU 91 HG LEU 91 -8.906 4.703 -6.642 724 HD11 LEU 91 1HD1 LEU 91 -7.803 7.502 -6.471 725 HD12 LEU 91 2HD1 LEU 91 -9.429 7.054 -6.987 726 HD13 LEU 91 3HD1 LEU 91 -8.034 6.571 -7.951 727 HD21 LEU 91 1HD2 LEU 91 -6.227 5.652 -5.612 728 HD22 LEU 91 2HD2 LEU 91 -6.498 4.838 -7.151 729 HD23 LEU 91 3HD2 LEU 91 -6.807 3.986 -5.641 730 H GLU 92 H GLU 92 -11.143 4.701 -2.783 731 HA GLU 92 HA GLU 92 -10.423 6.045 -0.409 732 HB2 GLU 92 2HB GLU 92 -12.896 4.504 -1.177 733 HB3 GLU 92 1HB GLU 92 -12.734 5.333 0.364 734 HG2 GLU 92 2HG GLU 92 -12.587 6.615 -2.351 735 HG3 GLU 92 1HG GLU 92 -13.966 6.663 -1.252 736 H GLU 93 H GLU 93 -11.143 2.635 -1.068 737 HA GLU 93 HA GLU 93 -10.812 1.698 1.569 738 HB2 GLU 93 2HB GLU 93 -10.420 0.303 -1.084 739 HB3 GLU 93 1HB GLU 93 -10.361 -0.521 0.466 740 HG2 GLU 93 2HG GLU 93 -12.735 0.965 -0.636 741 HG3 GLU 93 1HG GLU 93 -12.518 -0.783 -0.653 742 H LEU 94 H LEU 94 -8.571 2.058 -1.119 743 HA LEU 94 HA LEU 94 -6.300 0.928 0.074 744 HB2 LEU 94 2HB LEU 94 -6.505 1.410 -2.321 745 HB3 LEU 94 1HB LEU 94 -6.515 3.127 -1.985 746 HG LEU 94 HG LEU 94 -4.191 2.940 -1.137 747 HD11 LEU 94 1HD1 LEU 94 -4.211 0.606 -0.466 748 HD12 LEU 94 2HD1 LEU 94 -2.917 0.907 -1.625 749 HD13 LEU 94 3HD1 LEU 94 -4.401 0.108 -2.147 750 HD21 LEU 94 1HD2 LEU 94 -4.644 1.934 -3.945 751 HD22 LEU 94 2HD2 LEU 94 -3.155 2.656 -3.338 752 HD23 LEU 94 3HD2 LEU 94 -4.627 3.621 -3.434 753 H GLU 95 H GLU 95 -7.514 4.248 0.022 754 HA GLU 95 HA GLU 95 -5.417 5.532 1.341 755 HB2 GLU 95 2HB GLU 95 -7.374 6.594 0.166 756 HB3 GLU 95 1HB GLU 95 -8.356 6.196 1.567 757 HG2 GLU 95 2HG GLU 95 -7.710 8.477 1.725 758 HG3 GLU 95 1HG GLU 95 -6.828 7.571 2.953 759 H GLN 96 H GLN 96 -8.358 4.032 2.641 760 HA GLN 96 HA GLN 96 -7.848 4.646 5.359 761 HB2 GLN 96 2HB GLN 96 -9.543 2.442 4.181 762 HB3 GLN 96 1HB GLN 96 -9.594 2.987 5.850 763 HG2 GLN 96 2HG GLN 96 -10.403 5.152 5.160 764 HG3 GLN 96 1HG GLN 96 -10.248 4.699 3.463 765 HE21 GLN 96 1HE2 GLN 96 -12.598 5.561 4.918 766 HE22 GLN 96 2HE2 GLN 96 -13.753 4.288 4.770 767 H ALA 97 H ALA 97 -7.164 1.818 3.359 768 HA ALA 97 HA ALA 97 -6.209 0.149 5.399 769 HB1 ALA 97 1HB ALA 97 -5.198 -1.164 3.637 770 HB2 ALA 97 2HB ALA 97 -5.383 0.174 2.501 771 HB3 ALA 97 3HB ALA 97 -6.809 -0.638 3.148 772 H LEU 98 H LEU 98 -4.532 2.474 3.310 773 HA LEU 98 HA LEU 98 -1.924 1.942 4.244 774 HB2 LEU 98 2HB LEU 98 -3.091 4.494 3.133 775 HB3 LEU 98 1HB LEU 98 -1.380 4.206 3.375 776 HG LEU 98 HG LEU 98 -3.159 2.660 1.492 777 HD11 LEU 98 1HD1 LEU 98 -1.901 3.783 -0.271 778 HD12 LEU 98 2HD1 LEU 98 -1.054 4.742 0.945 779 HD13 LEU 98 3HD1 LEU 98 -2.796 4.929 0.727 780 HD21 LEU 98 1HD2 LEU 98 -1.364 1.276 2.348 781 HD22 LEU 98 2HD2 LEU 98 -0.185 2.531 1.972 782 HD23 LEU 98 3HD2 LEU 98 -1.043 1.708 0.670 783 H GLN 99 H GLN 99 -4.463 4.074 5.391 784 HA GLN 99 HA GLN 99 -3.006 5.440 7.357 785 HB2 GLN 99 2HB GLN 99 -5.166 6.233 6.658 786 HB3 GLN 99 1HB GLN 99 -5.930 4.721 7.122 787 HG2 GLN 99 2HG GLN 99 -5.390 5.203 9.463 788 HG3 GLN 99 1HG GLN 99 -4.712 6.751 8.962 789 HE21 GLN 99 1HE2 GLN 99 -6.976 6.124 10.717 790 HE22 GLN 99 2HE2 GLN 99 -8.327 6.965 10.046 791 H LYS 100 H LYS 100 -4.913 2.469 7.430 792 HA LYS 100 HA LYS 100 -4.656 1.878 10.159 793 HB2 LYS 100 2HB LYS 100 -6.286 0.803 8.682 794 HB3 LYS 100 1HB LYS 100 -4.987 0.022 7.797 795 HG2 LYS 100 2HG LYS 100 -4.385 -1.229 9.827 796 HG3 LYS 100 1HG LYS 100 -5.739 -0.473 10.671 797 HD2 LYS 100 2HD LYS 100 -7.284 -1.431 9.026 798 HD3 LYS 100 1HD LYS 100 -5.928 -2.207 8.210 799 HE2 LYS 100 2HE LYS 100 -5.448 -3.488 10.239 800 HE3 LYS 100 1HE LYS 100 -6.805 -2.708 11.050 801 HZ1 LYS 100 1HZ LYS 100 -6.960 -4.469 8.674 802 HZ2 LYS 100 2HZ LYS 100 -8.275 -3.668 9.368 803 HZ3 LYS 100 3HZ LYS 100 -7.453 -4.859 10.244 804 H ILE 101 H ILE 101 -2.672 0.991 7.368 805 HA ILE 101 HA ILE 101 -0.880 -0.717 8.677 806 HB ILE 101 HB ILE 101 -0.416 1.054 6.263 807 HG12 ILE 101 2HG1 ILE 101 -1.073 -1.895 6.466 808 HG13 ILE 101 1HG1 ILE 101 -2.211 -0.631 6.015 809 HG21 ILE 101 1HG2 ILE 101 1.245 -1.254 7.277 810 HG22 ILE 101 2HG2 ILE 101 1.716 0.445 7.276 811 HG23 ILE 101 3HG2 ILE 101 1.487 -0.408 5.749 812 HD11 ILE 101 1HD1 ILE 101 -1.406 -1.826 4.064 813 HD12 ILE 101 2HD1 ILE 101 0.258 -1.422 4.483 814 HD13 ILE 101 3HD1 ILE 101 -0.871 -0.147 4.027 815 H ARG 102 H ARG 102 -0.762 2.796 8.156 816 HA ARG 102 HA ARG 102 1.782 3.231 9.273 817 HB2 ARG 102 2HB ARG 102 -0.593 5.091 9.167 818 HB3 ARG 102 1HB ARG 102 1.040 5.577 9.594 819 HG2 ARG 102 2HG ARG 102 1.801 4.871 7.361 820 HG3 ARG 102 1HG ARG 102 0.130 4.481 6.946 821 HD2 ARG 102 2HD ARG 102 1.212 7.191 7.705 822 HD3 ARG 102 1HD ARG 102 0.713 6.672 6.096 823 HE ARG 102 HE ARG 102 -1.296 6.569 8.202 824 HH11 ARG 102 1HH1 ARG 102 0.038 8.347 5.483 825 HH12 ARG 102 2HH1 ARG 102 -1.410 9.258 5.214 826 HH21 ARG 102 1HH2 ARG 102 -3.184 7.811 7.868 827 HH22 ARG 102 2HH2 ARG 102 -3.243 8.950 6.562 828 H GLU 103 H GLU 103 -1.434 3.249 10.759 829 HA GLU 103 HA GLU 103 -0.629 4.115 13.294 830 HB2 GLU 103 2HB GLU 103 -2.962 2.340 12.570 831 HB3 GLU 103 1HB GLU 103 -2.756 3.164 14.109 832 HG2 GLU 103 2HG GLU 103 -3.162 4.435 11.410 833 HG3 GLU 103 1HG GLU 103 -4.301 4.397 12.756 834 H LEU 104 H LEU 104 -0.866 0.871 11.942 835 HA LEU 104 HA LEU 104 -0.142 -0.441 14.372 836 HB2 LEU 104 2HB LEU 104 -0.013 -1.424 11.521 837 HB3 LEU 104 1HB LEU 104 0.169 -2.428 12.945 838 HG LEU 104 HG LEU 104 -2.339 -0.934 12.168 839 HD11 LEU 104 1HD1 LEU 104 -1.873 -2.797 10.676 840 HD12 LEU 104 2HD1 LEU 104 -3.256 -3.147 11.712 841 HD13 LEU 104 3HD1 LEU 104 -1.687 -3.873 12.061 842 HD21 LEU 104 1HD2 LEU 104 -3.384 -2.234 13.979 843 HD22 LEU 104 2HD2 LEU 104 -2.143 -1.137 14.580 844 HD23 LEU 104 3HD2 LEU 104 -1.798 -2.859 14.429 845 H ALA 105 H ALA 105 1.595 0.813 11.608 846 HA ALA 105 HA ALA 105 4.069 -0.471 12.108 847 HB1 ALA 105 1HB ALA 105 3.449 0.451 9.927 848 HB2 ALA 105 2HB ALA 105 4.991 1.090 10.497 849 HB3 ALA 105 3HB ALA 105 3.535 2.079 10.597 850 H GLU 106 H GLU 106 2.627 2.455 13.347 851 HA GLU 106 HA GLU 106 5.131 3.329 14.547 852 HB2 GLU 106 2HB GLU 106 2.350 4.504 14.747 853 HB3 GLU 106 1HB GLU 106 3.802 5.224 15.423 854 HG2 GLU 106 2HG GLU 106 4.723 5.348 13.106 855 HG3 GLU 106 1HG GLU 106 3.149 4.816 12.517 856 H LYS 107 H LYS 107 2.922 1.053 15.233 857 HA LYS 107 HA LYS 107 2.450 -0.239 17.027 858 HB2 LYS 107 2HB LYS 107 4.386 1.519 18.545 859 HB3 LYS 107 1HB LYS 107 3.693 0.022 19.147 860 HG2 LYS 107 2HG LYS 107 4.828 -1.187 17.299 861 HG3 LYS 107 1HG LYS 107 5.596 0.333 16.830 862 HD2 LYS 107 2HD LYS 107 5.876 -1.031 19.514 863 HD3 LYS 107 1HD LYS 107 7.084 -1.036 18.229 864 HE2 LYS 107 2HE LYS 107 7.374 1.348 18.422 865 HE3 LYS 107 1HE LYS 107 6.039 1.463 19.564 866 HZ1 LYS 107 1HZ LYS 107 8.618 0.063 20.035 867 HZ2 LYS 107 2HZ LYS 107 7.336 0.126 21.128 868 HZ3 LYS 107 3HZ LYS 107 8.152 1.540 20.704 869 H LYS 108 H LYS 108 2.912 2.986 18.394 870 HA LYS 108 HA LYS 108 0.109 3.401 18.753 871 HB2 LYS 108 2HB LYS 108 0.532 1.941 20.671 872 HB3 LYS 108 1HB LYS 108 1.855 2.978 21.184 873 HG2 LYS 108 2HG LYS 108 0.331 4.771 21.679 874 HG3 LYS 108 1HG LYS 108 -1.020 3.858 21.005 875 HD2 LYS 108 2HD LYS 108 -1.012 3.777 23.447 876 HD3 LYS 108 1HD LYS 108 -0.770 2.176 22.753 877 HE2 LYS 108 2HE LYS 108 1.653 2.403 23.136 878 HE3 LYS 108 1HE LYS 108 1.376 3.986 23.861 879 HZ1 LYS 108 1HZ LYS 108 1.613 2.272 25.534 880 HZ2 LYS 108 2HZ LYS 108 0.320 1.406 24.881 881 HZ3 LYS 108 3HZ LYS 108 0.054 2.924 25.577 882 H ASN 109 H ASN 109 0.129 5.393 17.931 883 HA ASN 109 HA ASN 109 1.713 7.407 19.309 884 HB2 ASN 109 2HB ASN 109 3.028 6.715 17.310 885 HB3 ASN 109 1HB ASN 109 1.675 7.194 16.293 886 HD21 ASN 109 1HD2 ASN 109 1.235 9.363 16.009 887 HD22 ASN 109 2HD2 ASN 109 2.351 10.609 16.449 Start of MODEL 10 1 H1 SER 1 1HT SER 1 4.205 5.588 22.200 2 H2 SER 1 2HT SER 1 4.887 4.224 22.929 3 H3 SER 1 3HT SER 1 3.203 4.334 22.743 4 HA SER 1 HA SER 1 4.209 2.842 21.141 5 HB2 SER 1 2HB SER 1 2.117 4.091 20.629 6 HB3 SER 1 1HB SER 1 3.087 5.376 19.912 7 HG SER 1 HG SER 1 2.291 3.894 18.347 8 H GLU 2 H GLU 2 6.081 2.372 20.195 9 HA GLU 2 HA GLU 2 7.563 4.519 18.893 10 HB2 GLU 2 2HB GLU 2 8.529 4.114 21.156 11 HB3 GLU 2 1HB GLU 2 8.865 2.459 20.669 12 HG2 GLU 2 2HG GLU 2 10.362 3.232 18.940 13 HG3 GLU 2 1HG GLU 2 9.974 4.909 19.321 14 H PHE 3 H PHE 3 8.176 4.014 16.954 15 HA PHE 3 HA PHE 3 9.019 1.455 16.081 16 HB2 PHE 3 2HB PHE 3 7.161 1.064 14.433 17 HB3 PHE 3 1HB PHE 3 6.639 0.892 16.099 18 HD1 PHE 3 1HD PHE 3 5.965 2.410 12.969 19 HD2 PHE 3 2HD PHE 3 5.482 2.969 17.160 20 HE1 PHE 3 1HE PHE 3 4.136 3.997 12.546 21 HE2 PHE 3 2HE PHE 3 3.655 4.558 16.740 22 HZ PHE 3 HZ PHE 3 2.980 5.072 14.435 23 H GLU 4 H GLU 4 10.358 3.600 16.042 24 HA GLU 4 HA GLU 4 9.825 5.619 14.207 25 HB2 GLU 4 2HB GLU 4 12.568 4.822 15.140 26 HB3 GLU 4 1HB GLU 4 12.014 6.418 14.650 27 HG2 GLU 4 2HG GLU 4 11.271 4.903 17.142 28 HG3 GLU 4 1HG GLU 4 12.186 6.402 17.020 29 H LYS 5 H LYS 5 11.672 2.629 13.772 30 HA LYS 5 HA LYS 5 12.618 3.434 11.189 31 HB2 LYS 5 2HB LYS 5 13.825 1.785 12.613 32 HB3 LYS 5 1HB LYS 5 12.515 0.642 12.344 33 HG2 LYS 5 2HG LYS 5 12.982 0.634 9.963 34 HG3 LYS 5 1HG LYS 5 14.253 1.828 10.196 35 HD2 LYS 5 2HD LYS 5 15.478 0.235 11.605 36 HD3 LYS 5 1HD LYS 5 14.209 -0.964 11.338 37 HE2 LYS 5 2HE LYS 5 16.099 -1.367 9.854 38 HE3 LYS 5 1HE LYS 5 14.668 -0.910 8.933 39 HZ1 LYS 5 1HZ LYS 5 16.946 0.866 9.621 40 HZ2 LYS 5 2HZ LYS 5 15.562 1.363 8.803 41 HZ3 LYS 5 3HZ LYS 5 16.599 0.238 8.092 42 H LEU 6 H LEU 6 10.010 1.367 12.361 43 HA LEU 6 HA LEU 6 9.107 0.555 9.792 44 HB2 LEU 6 2HB LEU 6 8.623 -0.627 11.952 45 HB3 LEU 6 1HB LEU 6 7.557 0.688 12.390 46 HG LEU 6 HG LEU 6 7.022 -0.846 9.867 47 HD11 LEU 6 1HD1 LEU 6 5.661 -2.429 11.145 48 HD12 LEU 6 2HD1 LEU 6 6.250 -1.721 12.649 49 HD13 LEU 6 3HD1 LEU 6 7.368 -2.555 11.569 50 HD21 LEU 6 1HD2 LEU 6 4.706 -0.287 10.413 51 HD22 LEU 6 2HD2 LEU 6 5.704 1.166 10.366 52 HD23 LEU 6 3HD2 LEU 6 5.232 0.470 11.917 53 H ARG 7 H ARG 7 8.566 3.292 11.825 54 HA ARG 7 HA ARG 7 6.227 4.359 10.719 55 HB2 ARG 7 2HB ARG 7 7.259 5.136 12.818 56 HB3 ARG 7 1HB ARG 7 8.613 5.787 11.912 57 HG2 ARG 7 2HG ARG 7 7.181 7.592 12.500 58 HG3 ARG 7 1HG ARG 7 7.014 7.321 10.765 59 HD2 ARG 7 2HD ARG 7 4.939 6.181 11.078 60 HD3 ARG 7 1HD ARG 7 5.144 6.186 12.829 61 HE ARG 7 HE ARG 7 5.061 8.788 11.554 62 HH11 ARG 7 1HH1 ARG 7 3.296 6.270 13.210 63 HH12 ARG 7 2HH1 ARG 7 1.975 7.286 13.672 64 HH21 ARG 7 1HH2 ARG 7 3.331 10.179 12.201 65 HH22 ARG 7 2HH2 ARG 7 2.014 9.530 13.114 66 H GLN 8 H GLN 8 9.615 4.639 9.781 67 HA GLN 8 HA GLN 8 9.210 6.677 7.858 68 HB2 GLN 8 2HB GLN 8 11.441 4.643 7.899 69 HB3 GLN 8 1HB GLN 8 11.456 6.217 7.119 70 HG2 GLN 8 2HG GLN 8 11.394 5.668 10.075 71 HG3 GLN 8 1HG GLN 8 12.744 6.304 9.140 72 HE21 GLN 8 1HE2 GLN 8 11.251 7.382 11.441 73 HE22 GLN 8 2HE2 GLN 8 10.716 8.951 10.949 74 H THR 9 H THR 9 9.440 3.137 7.609 75 HA THR 9 HA THR 9 9.091 3.105 4.790 76 HB THR 9 HB THR 9 8.673 0.868 6.784 77 HG1 THR 9 1HG THR 9 10.880 2.117 5.865 78 HG21 THR 9 1HG2 THR 9 9.050 0.803 3.781 79 HG22 THR 9 2HG2 THR 9 7.568 0.395 4.648 80 HG23 THR 9 3HG2 THR 9 9.006 -0.609 4.836 81 H GLY 10 H GLY 10 6.853 2.688 7.522 82 HA2 GLY 10 2HA GLY 10 4.562 2.019 6.042 83 HA3 GLY 10 1HA GLY 10 4.557 2.830 7.606 84 H ASP 11 H ASP 11 5.817 5.165 7.042 85 HA ASP 11 HA ASP 11 3.807 6.705 5.776 86 HB2 ASP 11 2HB ASP 11 5.161 7.664 7.543 87 HB3 ASP 11 1HB ASP 11 6.631 7.400 6.613 88 H GLU 12 H GLU 12 6.890 5.401 4.764 89 HA GLU 12 HA GLU 12 7.287 6.791 2.369 90 HB2 GLU 12 2HB GLU 12 9.019 5.436 3.399 91 HB3 GLU 12 1HB GLU 12 8.061 3.985 3.173 92 HG2 GLU 12 2HG GLU 12 8.310 4.181 0.765 93 HG3 GLU 12 1HG GLU 12 9.241 5.666 0.977 94 H LEU 13 H LEU 13 5.452 3.851 3.074 95 HA LEU 13 HA LEU 13 4.764 3.208 0.424 96 HB2 LEU 13 2HB LEU 13 3.125 2.736 2.917 97 HB3 LEU 13 1HB LEU 13 2.922 1.919 1.382 98 HG LEU 13 HG LEU 13 5.225 1.641 3.306 99 HD11 LEU 13 1HD1 LEU 13 3.179 -0.319 2.289 100 HD12 LEU 13 2HD1 LEU 13 3.212 0.409 3.897 101 HD13 LEU 13 3HD1 LEU 13 4.502 -0.685 3.395 102 HD21 LEU 13 1HD2 LEU 13 6.104 1.641 1.045 103 HD22 LEU 13 2HD2 LEU 13 4.892 0.456 0.553 104 HD23 LEU 13 3HD2 LEU 13 6.142 0.010 1.716 105 H VAL 14 H VAL 14 3.146 5.177 2.872 106 HA VAL 14 HA VAL 14 0.871 5.850 1.383 107 HB VAL 14 HB VAL 14 2.230 7.555 3.487 108 HG11 VAL 14 1HG1 VAL 14 -0.002 8.488 3.860 109 HG12 VAL 14 2HG1 VAL 14 -0.636 7.500 2.545 110 HG13 VAL 14 3HG1 VAL 14 0.542 8.766 2.206 111 HG21 VAL 14 1HG2 VAL 14 1.808 5.306 4.330 112 HG22 VAL 14 2HG2 VAL 14 0.127 5.413 3.809 113 HG23 VAL 14 3HG2 VAL 14 0.722 6.470 5.088 114 H GLN 15 H GLN 15 4.057 7.378 1.597 115 HA GLN 15 HA GLN 15 3.482 9.659 0.048 116 HB2 GLN 15 2HB GLN 15 6.122 8.193 0.247 117 HB3 GLN 15 1HB GLN 15 5.896 9.848 -0.296 118 HG2 GLN 15 2HG GLN 15 5.427 8.773 2.472 119 HG3 GLN 15 1HG GLN 15 6.728 9.841 1.950 120 HE21 GLN 15 1HE2 GLN 15 4.702 10.195 4.004 121 HE22 GLN 15 2HE2 GLN 15 3.855 11.651 3.595 122 H ALA 16 H ALA 16 4.660 6.450 -0.837 123 HA ALA 16 HA ALA 16 5.042 6.917 -3.575 124 HB1 ALA 16 1HB ALA 16 5.915 4.947 -2.407 125 HB2 ALA 16 2HB ALA 16 4.970 4.494 -3.824 126 HB3 ALA 16 3HB ALA 16 4.271 4.339 -2.212 127 H PHE 17 H PHE 17 2.193 5.899 -1.753 128 HA PHE 17 HA PHE 17 0.571 5.446 -4.018 129 HB2 PHE 17 2HB PHE 17 -0.170 6.003 -1.146 130 HB3 PHE 17 1HB PHE 17 -1.351 5.617 -2.395 131 HD1 PHE 17 1HD PHE 17 0.048 4.188 0.269 132 HD2 PHE 17 2HD PHE 17 -0.174 3.518 -3.928 133 HE1 PHE 17 1HE PHE 17 0.461 1.789 0.628 134 HE2 PHE 17 2HE PHE 17 0.234 1.124 -3.573 135 HZ PHE 17 HZ PHE 17 0.555 0.256 -1.299 136 H GLN 18 H GLN 18 1.155 8.330 -2.061 137 HA GLN 18 HA GLN 18 -0.783 9.989 -3.242 138 HB2 GLN 18 2HB GLN 18 1.975 10.744 -2.251 139 HB3 GLN 18 1HB GLN 18 0.652 11.856 -2.543 140 HG2 GLN 18 2HG GLN 18 -0.632 10.799 -0.758 141 HG3 GLN 18 1HG GLN 18 0.700 9.678 -0.471 142 HE21 GLN 18 1HE2 GLN 18 1.046 10.361 1.610 143 HE22 GLN 18 2HE2 GLN 18 1.729 11.901 1.995 144 H ARG 19 H ARG 19 2.551 9.234 -4.101 145 HA ARG 19 HA ARG 19 2.758 10.901 -6.373 146 HB2 ARG 19 2HB ARG 19 4.214 8.316 -5.766 147 HB3 ARG 19 1HB ARG 19 4.697 9.502 -6.969 148 HG2 ARG 19 2HG ARG 19 4.572 9.967 -3.995 149 HG3 ARG 19 1HG ARG 19 6.034 9.671 -4.939 150 HD2 ARG 19 2HD ARG 19 5.701 11.698 -6.179 151 HD3 ARG 19 1HD ARG 19 4.143 11.964 -5.402 152 HE ARG 19 HE ARG 19 6.520 11.852 -3.718 153 HH11 ARG 19 1HH1 ARG 19 3.975 13.743 -5.239 154 HH12 ARG 19 2HH1 ARG 19 4.254 15.147 -4.264 155 HH21 ARG 19 1HH2 ARG 19 6.891 13.727 -2.418 156 HH22 ARG 19 2HH2 ARG 19 5.916 15.133 -2.656 157 H LEU 20 H LEU 20 1.713 7.592 -5.903 158 HA LEU 20 HA LEU 20 1.508 6.787 -8.569 159 HB2 LEU 20 2HB LEU 20 1.368 5.334 -6.534 160 HB3 LEU 20 1HB LEU 20 -0.247 5.949 -6.261 161 HG LEU 20 HG LEU 20 -0.895 4.994 -8.495 162 HD11 LEU 20 1HD1 LEU 20 1.343 4.858 -9.461 163 HD12 LEU 20 2HD1 LEU 20 0.546 3.286 -9.461 164 HD13 LEU 20 3HD1 LEU 20 1.790 3.643 -8.264 165 HD21 LEU 20 1HD2 LEU 20 0.134 3.080 -6.403 166 HD22 LEU 20 2HD2 LEU 20 -1.042 2.695 -7.658 167 HD23 LEU 20 3HD2 LEU 20 -1.443 3.870 -6.405 168 H ARG 21 H ARG 21 -0.848 8.357 -6.425 169 HA ARG 21 HA ARG 21 -2.953 8.380 -8.306 170 HB2 ARG 21 2HB ARG 21 -3.311 8.727 -5.886 171 HB3 ARG 21 1HB ARG 21 -2.524 10.292 -6.006 172 HG2 ARG 21 2HG ARG 21 -4.241 11.163 -7.389 173 HG3 ARG 21 1HG ARG 21 -4.956 9.570 -7.616 174 HD2 ARG 21 2HD ARG 21 -5.580 9.509 -5.254 175 HD3 ARG 21 1HD ARG 21 -4.833 11.091 -5.011 176 HE ARG 21 HE ARG 21 -6.542 12.083 -6.299 177 HH11 ARG 21 1HH1 ARG 21 -7.143 8.671 -5.652 178 HH12 ARG 21 2HH1 ARG 21 -8.782 8.734 -6.228 179 HH21 ARG 21 1HH2 ARG 21 -8.699 12.132 -7.039 180 HH22 ARG 21 2HH2 ARG 21 -9.656 10.681 -7.025 181 H GLU 22 H GLU 22 -0.375 10.656 -7.592 182 HA GLU 22 HA GLU 22 -1.241 12.789 -9.210 183 HB2 GLU 22 2HB GLU 22 1.596 11.928 -8.613 184 HB3 GLU 22 1HB GLU 22 1.133 13.481 -9.287 185 HG2 GLU 22 2HG GLU 22 -0.121 13.967 -7.223 186 HG3 GLU 22 1HG GLU 22 0.439 12.433 -6.555 187 H ILE 23 H ILE 23 0.778 9.985 -9.953 188 HA ILE 23 HA ILE 23 1.294 10.663 -12.644 189 HB ILE 23 HB ILE 23 1.256 7.932 -11.332 190 HG12 ILE 23 2HG1 ILE 23 3.554 9.824 -11.874 191 HG13 ILE 23 1HG1 ILE 23 2.793 9.591 -10.304 192 HG21 ILE 23 1HG2 ILE 23 2.563 8.813 -13.905 193 HG22 ILE 23 2HG2 ILE 23 1.118 7.808 -13.786 194 HG23 ILE 23 3HG2 ILE 23 2.663 7.207 -13.182 195 HD11 ILE 23 1HD1 ILE 23 3.504 7.264 -10.310 196 HD12 ILE 23 2HD1 ILE 23 4.873 8.365 -10.474 197 HD13 ILE 23 3HD1 ILE 23 4.263 7.499 -11.885 198 H PHE 24 H PHE 24 -1.256 8.779 -11.097 199 HA PHE 24 HA PHE 24 -2.551 7.931 -13.455 200 HB2 PHE 24 2HB PHE 24 -3.156 6.795 -11.466 201 HB3 PHE 24 1HB PHE 24 -3.491 8.297 -10.612 202 HD1 PHE 24 1HD PHE 24 -4.668 6.537 -13.700 203 HD2 PHE 24 2HD PHE 24 -5.697 8.764 -10.222 204 HE1 PHE 24 1HE PHE 24 -7.049 6.349 -14.286 205 HE2 PHE 24 2HE PHE 24 -8.080 8.576 -10.801 206 HZ PHE 24 HZ PHE 24 -8.759 7.367 -12.836 207 H ASP 25 H ASP 25 -3.058 10.752 -11.361 208 HA ASP 25 HA ASP 25 -5.226 11.819 -12.837 209 HB2 ASP 25 2HB ASP 25 -4.746 12.458 -10.501 210 HB3 ASP 25 1HB ASP 25 -3.275 13.266 -11.029 211 H LYS 26 H LYS 26 -1.816 11.900 -13.291 212 HA LYS 26 HA LYS 26 -1.740 14.124 -15.085 213 HB2 LYS 26 2HB LYS 26 0.233 13.496 -13.819 214 HB3 LYS 26 1HB LYS 26 0.194 11.874 -14.491 215 HG2 LYS 26 2HG LYS 26 0.507 12.978 -16.747 216 HG3 LYS 26 1HG LYS 26 0.915 14.439 -15.846 217 HD2 LYS 26 2HD LYS 26 2.742 13.301 -14.749 218 HD3 LYS 26 1HD LYS 26 2.293 11.772 -15.504 219 HE2 LYS 26 2HE LYS 26 2.630 12.974 -17.729 220 HE3 LYS 26 1HE LYS 26 3.421 14.239 -16.792 221 HZ1 LYS 26 1HZ LYS 26 4.921 12.443 -15.923 222 HZ2 LYS 26 2HZ LYS 26 5.092 12.803 -17.562 223 HZ3 LYS 26 3HZ LYS 26 4.259 11.410 -17.097 224 H GLY 27 H GLY 27 -2.646 10.835 -15.307 225 HA2 GLY 27 2HA GLY 27 -3.518 9.672 -17.111 226 HA3 GLY 27 1HA GLY 27 -3.177 11.067 -18.127 227 H ASP 28 H ASP 28 -0.707 9.669 -16.147 228 HA ASP 28 HA ASP 28 0.713 8.879 -18.582 229 HB2 ASP 28 2HB ASP 28 1.706 10.446 -16.804 230 HB3 ASP 28 1HB ASP 28 1.886 9.004 -15.812 231 H ASP 29 H ASP 29 -0.154 6.918 -19.027 232 HA ASP 29 HA ASP 29 -0.729 4.926 -17.079 233 HB2 ASP 29 2HB ASP 29 -1.910 5.097 -19.238 234 HB3 ASP 29 1HB ASP 29 -0.430 4.654 -20.075 235 H ASP 30 H ASP 30 1.964 5.469 -19.284 236 HA ASP 30 HA ASP 30 3.196 2.974 -18.921 237 HB2 ASP 30 2HB ASP 30 5.280 4.186 -19.789 238 HB3 ASP 30 1HB ASP 30 3.876 4.124 -20.843 239 H SER 31 H SER 31 3.813 6.080 -17.263 240 HA SER 31 HA SER 31 5.838 4.939 -15.612 241 HB2 SER 31 2HB SER 31 4.153 7.394 -15.079 242 HB3 SER 31 1HB SER 31 5.679 6.982 -14.297 243 HG SER 31 HG SER 31 5.198 7.698 -16.985 244 H LEU 32 H LEU 32 2.371 5.226 -15.405 245 HA LEU 32 HA LEU 32 2.015 4.777 -12.662 246 HB2 LEU 32 2HB LEU 32 0.290 5.566 -14.291 247 HB3 LEU 32 1HB LEU 32 0.194 3.934 -14.915 248 HG LEU 32 HG LEU 32 -0.552 3.187 -12.642 249 HD11 LEU 32 1HD1 LEU 32 -0.735 6.152 -12.153 250 HD12 LEU 32 2HD1 LEU 32 0.358 5.028 -11.345 251 HD13 LEU 32 3HD1 LEU 32 -1.384 4.892 -11.104 252 HD21 LEU 32 1HD2 LEU 32 -2.827 4.034 -12.900 253 HD22 LEU 32 2HD2 LEU 32 -2.137 3.572 -14.456 254 HD23 LEU 32 3HD2 LEU 32 -2.244 5.275 -14.010 255 H GLU 33 H GLU 33 2.098 2.506 -15.389 256 HA GLU 33 HA GLU 33 1.626 0.185 -13.861 257 HB2 GLU 33 2HB GLU 33 1.975 0.817 -16.568 258 HB3 GLU 33 1HB GLU 33 3.234 -0.350 -16.193 259 HG2 GLU 33 2HG GLU 33 0.327 -0.776 -15.553 260 HG3 GLU 33 1HG GLU 33 1.091 -1.312 -17.044 261 H GLN 34 H GLN 34 4.614 1.810 -14.828 262 HA GLN 34 HA GLN 34 6.335 -0.239 -13.890 263 HB2 GLN 34 2HB GLN 34 6.929 2.686 -14.354 264 HB3 GLN 34 1HB GLN 34 8.138 1.440 -14.080 265 HG2 GLN 34 2HG GLN 34 6.278 1.705 -16.427 266 HG3 GLN 34 1HG GLN 34 8.034 1.852 -16.418 267 HE21 GLN 34 1HE2 GLN 34 8.402 -0.446 -14.652 268 HE22 GLN 34 2HE2 GLN 34 8.079 -1.854 -15.592 269 H VAL 35 H VAL 35 5.076 2.694 -12.383 270 HA VAL 35 HA VAL 35 6.553 2.513 -9.986 271 HB VAL 35 HB VAL 35 3.826 3.756 -10.472 272 HG11 VAL 35 1HG1 VAL 35 4.199 4.998 -8.389 273 HG12 VAL 35 2HG1 VAL 35 5.684 4.089 -8.110 274 HG13 VAL 35 3HG1 VAL 35 4.127 3.261 -8.089 275 HG21 VAL 35 1HG2 VAL 35 5.594 4.766 -11.781 276 HG22 VAL 35 2HG2 VAL 35 6.600 4.928 -10.343 277 HG23 VAL 35 3HG2 VAL 35 5.110 5.860 -10.485 278 H LEU 36 H LEU 36 3.619 0.923 -11.054 279 HA LEU 36 HA LEU 36 2.746 -0.099 -8.594 280 HB2 LEU 36 2HB LEU 36 2.590 -1.400 -11.311 281 HB3 LEU 36 1HB LEU 36 1.656 -1.869 -9.907 282 HG LEU 36 HG LEU 36 1.454 0.780 -11.331 283 HD11 LEU 36 1HD1 LEU 36 -0.658 -0.007 -12.141 284 HD12 LEU 36 2HD1 LEU 36 -0.473 -1.527 -11.270 285 HD13 LEU 36 3HD1 LEU 36 0.600 -1.147 -12.616 286 HD21 LEU 36 1HD2 LEU 36 -0.165 -0.380 -9.067 287 HD22 LEU 36 2HD2 LEU 36 -0.511 1.124 -9.921 288 HD23 LEU 36 3HD2 LEU 36 0.956 0.977 -8.957 289 H GLU 37 H GLU 37 5.216 -1.232 -10.842 290 HA GLU 37 HA GLU 37 5.753 -3.662 -9.486 291 HB2 GLU 37 2HB GLU 37 7.554 -2.033 -11.289 292 HB3 GLU 37 1HB GLU 37 7.882 -3.675 -10.751 293 HG2 GLU 37 2HG GLU 37 5.628 -4.261 -11.824 294 HG3 GLU 37 1HG GLU 37 5.773 -2.704 -12.637 295 H GLU 38 H GLU 38 6.962 -0.387 -9.187 296 HA GLU 38 HA GLU 38 8.986 -0.888 -7.284 297 HB2 GLU 38 2HB GLU 38 7.282 1.560 -7.778 298 HB3 GLU 38 1HB GLU 38 8.654 1.540 -6.688 299 HG2 GLU 38 2HG GLU 38 10.147 1.059 -8.527 300 HG3 GLU 38 1HG GLU 38 8.778 0.971 -9.636 301 H ILE 39 H ILE 39 5.545 -0.214 -7.031 302 HA ILE 39 HA ILE 39 5.313 0.007 -4.245 303 HB ILE 39 HB ILE 39 3.297 -1.085 -6.231 304 HG12 ILE 39 2HG1 ILE 39 3.973 1.213 -6.743 305 HG13 ILE 39 1HG1 ILE 39 2.314 1.168 -6.160 306 HG21 ILE 39 1HG2 ILE 39 2.864 -0.105 -3.410 307 HG22 ILE 39 2HG2 ILE 39 2.737 -1.773 -3.967 308 HG23 ILE 39 3HG2 ILE 39 1.595 -0.562 -4.548 309 HD11 ILE 39 1HD1 ILE 39 3.477 3.055 -5.223 310 HD12 ILE 39 2HD1 ILE 39 4.745 2.005 -4.596 311 HD13 ILE 39 3HD1 ILE 39 3.108 1.897 -3.946 312 H GLU 40 H GLU 40 5.372 -2.818 -6.363 313 HA GLU 40 HA GLU 40 4.591 -4.784 -4.524 314 HB2 GLU 40 2HB GLU 40 6.573 -5.003 -6.799 315 HB3 GLU 40 1HB GLU 40 5.852 -6.364 -5.958 316 HG2 GLU 40 2HG GLU 40 3.657 -5.720 -6.757 317 HG3 GLU 40 1HG GLU 40 4.353 -4.314 -7.564 318 H GLU 41 H GLU 41 7.787 -3.495 -5.302 319 HA GLU 41 HA GLU 41 9.236 -5.113 -3.523 320 HB2 GLU 41 2HB GLU 41 9.870 -2.411 -4.700 321 HB3 GLU 41 1HB GLU 41 11.018 -3.424 -3.841 322 HG2 GLU 41 2HG GLU 41 9.608 -4.129 -6.399 323 HG3 GLU 41 1HG GLU 41 11.292 -3.629 -6.239 324 H LEU 42 H LEU 42 7.722 -1.954 -3.216 325 HA LEU 42 HA LEU 42 8.787 -1.315 -0.684 326 HB2 LEU 42 2HB LEU 42 6.215 -0.405 -1.964 327 HB3 LEU 42 1HB LEU 42 6.950 0.322 -0.550 328 HG LEU 42 HG LEU 42 8.127 0.266 -3.323 329 HD11 LEU 42 1HD1 LEU 42 7.742 2.677 -3.287 330 HD12 LEU 42 2HD1 LEU 42 6.974 2.532 -1.707 331 HD13 LEU 42 3HD1 LEU 42 6.232 1.781 -3.118 332 HD21 LEU 42 1HD2 LEU 42 9.155 1.528 -0.781 333 HD22 LEU 42 2HD2 LEU 42 9.835 1.776 -2.389 334 HD23 LEU 42 3HD2 LEU 42 9.884 0.177 -1.650 335 H ILE 43 H ILE 43 5.829 -2.970 -1.670 336 HA ILE 43 HA ILE 43 4.671 -3.254 0.882 337 HB ILE 43 HB ILE 43 4.455 -5.101 -1.516 338 HG12 ILE 43 2HG1 ILE 43 2.568 -2.943 -0.544 339 HG13 ILE 43 1HG1 ILE 43 3.697 -2.756 -1.882 340 HG21 ILE 43 1HG2 ILE 43 2.722 -4.958 0.953 341 HG22 ILE 43 2HG2 ILE 43 3.820 -6.271 0.526 342 HG23 ILE 43 3HG2 ILE 43 2.402 -5.949 -0.472 343 HD11 ILE 43 1HD1 ILE 43 1.443 -3.206 -2.673 344 HD12 ILE 43 2HD1 ILE 43 1.414 -4.716 -1.762 345 HD13 ILE 43 3HD1 ILE 43 2.537 -4.519 -3.107 346 H GLN 44 H GLN 44 6.869 -5.382 -0.927 347 HA GLN 44 HA GLN 44 7.044 -7.362 1.075 348 HB2 GLN 44 2HB GLN 44 7.615 -7.706 -1.318 349 HB3 GLN 44 1HB GLN 44 9.030 -6.688 -1.098 350 HG2 GLN 44 2HG GLN 44 9.954 -8.258 0.478 351 HG3 GLN 44 1HG GLN 44 8.506 -9.258 0.360 352 HE21 GLN 44 1HE2 GLN 44 11.284 -9.920 -0.214 353 HE22 GLN 44 2HE2 GLN 44 11.322 -10.444 -1.860 354 H LYS 45 H LYS 45 8.865 -4.449 0.357 355 HA LYS 45 HA LYS 45 10.993 -4.792 2.146 356 HB2 LYS 45 2HB LYS 45 11.115 -3.080 0.475 357 HB3 LYS 45 1HB LYS 45 9.650 -2.316 1.063 358 HG2 LYS 45 2HG LYS 45 10.777 -1.578 3.059 359 HG3 LYS 45 1HG LYS 45 12.234 -2.467 2.604 360 HD2 LYS 45 2HD LYS 45 12.543 -1.057 0.669 361 HD3 LYS 45 1HD LYS 45 11.013 -0.237 0.978 362 HE2 LYS 45 2HE LYS 45 13.283 -0.241 2.951 363 HE3 LYS 45 1HE LYS 45 13.128 0.980 1.692 364 HZ1 LYS 45 1HZ LYS 45 11.085 0.409 3.772 365 HZ2 LYS 45 2HZ LYS 45 11.003 1.631 2.594 366 HZ3 LYS 45 3HZ LYS 45 12.180 1.693 3.805 367 H HIS 46 H HIS 46 7.787 -3.350 2.590 368 HA HIS 46 HA HIS 46 8.176 -2.479 5.235 369 HB2 HIS 46 2HB HIS 46 6.265 -1.817 3.745 370 HB3 HIS 46 1HB HIS 46 5.567 -3.410 4.012 371 HD1 HIS 46 1HD HIS 46 3.673 -3.180 5.644 372 HD2 HIS 46 2HD HIS 46 6.870 -0.694 6.583 373 HE1 HIS 46 1HE HIS 46 3.036 -1.970 7.773 374 H ARG 47 H ARG 47 7.135 -5.573 3.899 375 HA ARG 47 HA ARG 47 6.535 -6.755 6.397 376 HB2 ARG 47 2HB ARG 47 5.753 -7.643 4.181 377 HB3 ARG 47 1HB ARG 47 7.391 -8.227 3.903 378 HG2 ARG 47 2HG ARG 47 7.250 -9.648 5.860 379 HG3 ARG 47 1HG ARG 47 5.640 -9.029 6.219 380 HD2 ARG 47 2HD ARG 47 4.903 -9.914 4.001 381 HD3 ARG 47 1HD ARG 47 6.487 -10.677 3.847 382 HE ARG 47 HE ARG 47 5.239 -11.360 6.311 383 HH11 ARG 47 1HH1 ARG 47 5.259 -12.148 2.896 384 HH12 ARG 47 2HH1 ARG 47 4.643 -13.743 3.140 385 HH21 ARG 47 1HH2 ARG 47 4.418 -13.443 6.635 386 HH22 ARG 47 2HH2 ARG 47 4.147 -14.480 5.268 387 H GLN 48 H GLN 48 9.490 -6.383 4.559 388 HA GLN 48 HA GLN 48 11.090 -8.219 5.960 389 HB2 GLN 48 2HB GLN 48 11.848 -5.604 4.644 390 HB3 GLN 48 1HB GLN 48 13.005 -6.790 5.225 391 HG2 GLN 48 2HG GLN 48 12.162 -8.420 3.639 392 HG3 GLN 48 1HG GLN 48 10.947 -7.270 3.085 393 HE21 GLN 48 1HE2 GLN 48 11.704 -7.284 0.995 394 HE22 GLN 48 2HE2 GLN 48 13.193 -6.538 0.530 395 H LEU 49 H LEU 49 10.414 -4.782 6.546 396 HA LEU 49 HA LEU 49 11.950 -4.629 8.921 397 HB2 LEU 49 2HB LEU 49 9.780 -2.935 7.758 398 HB3 LEU 49 1HB LEU 49 10.375 -2.633 9.378 399 HG LEU 49 HG LEU 49 12.705 -2.554 8.255 400 HD11 LEU 49 1HD1 LEU 49 10.952 -2.004 5.875 401 HD12 LEU 49 2HD1 LEU 49 12.046 -3.373 6.076 402 HD13 LEU 49 3HD1 LEU 49 12.694 -1.736 5.964 403 HD21 LEU 49 1HD2 LEU 49 11.588 -0.693 9.317 404 HD22 LEU 49 2HD2 LEU 49 10.689 -0.369 7.834 405 HD23 LEU 49 3HD2 LEU 49 12.444 -0.178 7.864 406 H PHE 50 H PHE 50 8.638 -5.500 8.211 407 HA PHE 50 HA PHE 50 7.648 -5.552 10.844 408 HB2 PHE 50 2HB PHE 50 6.235 -5.660 8.790 409 HB3 PHE 50 1HB PHE 50 6.820 -7.293 8.505 410 HD1 PHE 50 1HD PHE 50 4.577 -5.197 10.447 411 HD2 PHE 50 2HD PHE 50 6.117 -9.137 9.973 412 HE1 PHE 50 1HE PHE 50 2.743 -6.079 11.829 413 HE2 PHE 50 2HE PHE 50 4.288 -10.022 11.355 414 HZ PHE 50 HZ PHE 50 2.596 -8.494 12.283 415 H ASP 51 H ASP 51 9.296 -7.984 8.879 416 HA ASP 51 HA ASP 51 9.116 -10.079 10.801 417 HB2 ASP 51 2HB ASP 51 9.491 -10.645 8.485 418 HB3 ASP 51 1HB ASP 51 10.960 -9.677 8.437 419 H ASN 52 H ASN 52 11.534 -7.646 10.045 420 HA ASN 52 HA ASN 52 13.542 -8.578 11.801 421 HB2 ASN 52 2HB ASN 52 13.932 -6.961 9.950 422 HB3 ASN 52 1HB ASN 52 13.044 -5.744 10.859 423 HD21 ASN 52 1HD2 ASN 52 15.955 -7.603 10.646 424 HD22 ASN 52 2HD2 ASN 52 16.876 -6.673 11.774 425 H ARG 53 H ARG 53 10.925 -6.268 12.157 426 HA ARG 53 HA ARG 53 11.530 -5.577 14.862 427 HB2 ARG 53 2HB ARG 53 10.354 -3.865 13.917 428 HB3 ARG 53 1HB ARG 53 9.472 -4.925 12.838 429 HG2 ARG 53 2HG ARG 53 7.894 -3.899 14.274 430 HG3 ARG 53 1HG ARG 53 8.040 -5.576 14.788 431 HD2 ARG 53 2HD ARG 53 9.551 -4.860 16.599 432 HD3 ARG 53 1HD ARG 53 9.333 -3.181 16.094 433 HE ARG 53 HE ARG 53 6.797 -4.014 16.473 434 HH11 ARG 53 1HH1 ARG 53 9.639 -4.176 18.532 435 HH12 ARG 53 2HH1 ARG 53 8.714 -4.130 19.993 436 HH21 ARG 53 1HH2 ARG 53 5.608 -3.967 18.380 437 HH22 ARG 53 2HH2 ARG 53 6.423 -4.011 19.916 438 H GLN 54 H GLN 54 9.358 -7.864 13.280 439 HA GLN 54 HA GLN 54 8.038 -9.530 14.010 440 HB2 GLN 54 2HB GLN 54 10.031 -10.454 15.061 441 HB3 GLN 54 1HB GLN 54 9.820 -9.410 16.460 442 HG2 GLN 54 2HG GLN 54 9.130 -11.699 16.934 443 HG3 GLN 54 1HG GLN 54 7.777 -10.578 17.051 444 HE21 GLN 54 1HE2 GLN 54 6.230 -12.124 16.725 445 HE22 GLN 54 2HE2 GLN 54 5.983 -12.921 15.208 446 H GLU 55 H GLU 55 6.166 -8.407 14.032 447 HA GLU 55 HA GLU 55 5.391 -7.154 16.567 448 HB2 GLU 55 2HB GLU 55 5.477 -5.638 14.629 449 HB3 GLU 55 1HB GLU 55 4.312 -6.651 13.792 450 HG2 GLU 55 2HG GLU 55 3.233 -4.700 14.709 451 HG3 GLU 55 1HG GLU 55 2.651 -6.155 15.516 452 H ALA 56 H ALA 56 4.501 -8.803 17.654 453 HA ALA 56 HA ALA 56 2.887 -10.155 18.421 454 HB1 ALA 56 1HB ALA 56 0.617 -9.935 17.618 455 HB2 ALA 56 2HB ALA 56 1.181 -9.090 16.177 456 HB3 ALA 56 3HB ALA 56 1.367 -8.346 17.765 457 H ALA 57 H ALA 57 2.012 -10.440 14.978 458 HA ALA 57 HA ALA 57 3.104 -13.113 14.889 459 HB1 ALA 57 1HB ALA 57 0.944 -13.417 16.045 460 HB2 ALA 57 2HB ALA 57 1.016 -14.249 14.495 461 HB3 ALA 57 3HB ALA 57 0.124 -12.735 14.641 462 H ASP 58 H ASP 58 3.773 -13.560 12.913 463 HA ASP 58 HA ASP 58 3.508 -11.790 10.739 464 HB2 ASP 58 2HB ASP 58 5.420 -13.160 10.712 465 HB3 ASP 58 1HB ASP 58 4.480 -14.623 10.981 466 H THR 59 H THR 59 1.704 -14.622 11.694 467 HA THR 59 HA THR 59 0.425 -15.156 9.286 468 HB THR 59 HB THR 59 0.364 -16.713 11.181 469 HG1 THR 59 1HG THR 59 -1.328 -16.653 9.493 470 HG21 THR 59 1HG2 THR 59 0.065 -15.161 13.017 471 HG22 THR 59 2HG2 THR 59 -1.249 -16.338 13.024 472 HG23 THR 59 3HG2 THR 59 -1.525 -14.707 12.411 473 H GLU 60 H GLU 60 -0.223 -12.630 11.630 474 HA GLU 60 HA GLU 60 -2.802 -11.966 10.597 475 HB2 GLU 60 2HB GLU 60 -0.836 -10.422 12.276 476 HB3 GLU 60 1HB GLU 60 -2.375 -9.751 11.763 477 HG2 GLU 60 2HG GLU 60 -3.488 -11.681 12.895 478 HG3 GLU 60 1HG GLU 60 -1.909 -12.116 13.551 479 H ALA 61 H ALA 61 0.474 -10.751 10.080 480 HA ALA 61 HA ALA 61 -0.257 -8.732 8.228 481 HB1 ALA 61 1HB ALA 61 2.124 -8.640 7.685 482 HB2 ALA 61 2HB ALA 61 2.389 -10.149 8.558 483 HB3 ALA 61 3HB ALA 61 1.880 -8.703 9.430 484 H ALA 62 H ALA 62 0.527 -12.115 7.977 485 HA ALA 62 HA ALA 62 0.715 -12.208 5.148 486 HB1 ALA 62 1HB ALA 62 1.714 -13.921 6.564 487 HB2 ALA 62 2HB ALA 62 0.557 -14.634 5.439 488 HB3 ALA 62 3HB ALA 62 0.114 -14.400 7.129 489 H LYS 63 H LYS 63 -1.899 -12.826 7.463 490 HA LYS 63 HA LYS 63 -3.800 -13.679 5.535 491 HB2 LYS 63 2HB LYS 63 -3.958 -14.200 7.937 492 HB3 LYS 63 1HB LYS 63 -4.248 -12.502 8.281 493 HG2 LYS 63 2HG LYS 63 -6.327 -12.606 6.977 494 HG3 LYS 63 1HG LYS 63 -6.036 -14.321 6.677 495 HD2 LYS 63 2HD LYS 63 -6.466 -13.012 9.365 496 HD3 LYS 63 1HD LYS 63 -7.604 -14.056 8.511 497 HE2 LYS 63 2HE LYS 63 -5.948 -15.891 8.637 498 HE3 LYS 63 1HE LYS 63 -4.895 -14.840 9.578 499 HZ1 LYS 63 1HZ LYS 63 -6.637 -14.698 11.265 500 HZ2 LYS 63 2HZ LYS 63 -6.134 -16.291 11.011 501 HZ3 LYS 63 3HZ LYS 63 -7.602 -15.757 10.362 502 H GLN 64 H GLN 64 -3.192 -10.571 7.127 503 HA GLN 64 HA GLN 64 -5.282 -9.216 5.746 504 HB2 GLN 64 2HB GLN 64 -4.253 -8.479 7.921 505 HB3 GLN 64 1HB GLN 64 -2.822 -8.004 7.018 506 HG2 GLN 64 2HG GLN 64 -4.148 -6.401 5.745 507 HG3 GLN 64 1HG GLN 64 -5.591 -6.887 6.632 508 HE21 GLN 64 1HE2 GLN 64 -4.079 -7.164 9.149 509 HE22 GLN 64 2HE2 GLN 64 -3.800 -5.549 9.690 510 H GLY 65 H GLY 65 -1.940 -9.921 5.136 511 HA2 GLY 65 2HA GLY 65 -1.437 -8.128 3.043 512 HA3 GLY 65 1HA GLY 65 -0.623 -9.667 3.292 513 H ASP 66 H ASP 66 -2.964 -11.305 3.089 514 HA ASP 66 HA ASP 66 -3.062 -11.738 0.307 515 HB2 ASP 66 2HB ASP 66 -3.569 -13.489 1.979 516 HB3 ASP 66 1HB ASP 66 -5.037 -12.630 2.427 517 H GLN 67 H GLN 67 -5.226 -10.088 2.519 518 HA GLN 67 HA GLN 67 -7.249 -9.431 0.651 519 HB2 GLN 67 2HB GLN 67 -7.584 -9.404 3.090 520 HB3 GLN 67 1HB GLN 67 -6.439 -8.083 3.238 521 HG2 GLN 67 2HG GLN 67 -7.972 -6.701 1.839 522 HG3 GLN 67 1HG GLN 67 -9.141 -8.019 1.926 523 HE21 GLN 67 1HE2 GLN 67 -10.649 -6.800 3.032 524 HE22 GLN 67 2HE2 GLN 67 -10.443 -6.331 4.682 525 H TRP 68 H TRP 68 -4.368 -7.780 1.819 526 HA TRP 68 HA TRP 68 -4.767 -5.318 0.532 527 HB2 TRP 68 2HB TRP 68 -3.296 -5.573 2.435 528 HB3 TRP 68 1HB TRP 68 -2.286 -6.703 1.549 529 HD1 TRP 68 HD TRP 68 -0.407 -5.734 0.104 530 HE1 TRP 68 1HE TRP 68 0.487 -3.349 -0.329 531 HE3 TRP 68 3HE TRP 68 -4.214 -3.067 2.190 532 HZ2 TRP 68 2HZ TRP 68 -0.334 -0.695 0.165 533 HZ3 TRP 68 3HZ TRP 68 -4.088 -0.611 2.169 534 HH2 TRP 68 HH TRP 68 -2.189 0.546 1.176 535 H VAL 69 H VAL 69 -2.782 -8.146 -0.343 536 HA VAL 69 HA VAL 69 -1.778 -7.103 -2.749 537 HB VAL 69 HB VAL 69 -2.184 -10.000 -1.947 538 HG11 VAL 69 1HG1 VAL 69 -0.543 -10.543 -3.686 539 HG12 VAL 69 2HG1 VAL 69 -0.522 -8.855 -4.194 540 HG13 VAL 69 3HG1 VAL 69 -1.992 -9.811 -4.376 541 HG21 VAL 69 1HG2 VAL 69 0.215 -9.935 -1.434 542 HG22 VAL 69 2HG2 VAL 69 -0.688 -8.769 -0.466 543 HG23 VAL 69 3HG2 VAL 69 0.254 -8.223 -1.853 544 H GLN 70 H GLN 70 -4.728 -8.929 -2.052 545 HA GLN 70 HA GLN 70 -5.501 -9.397 -4.715 546 HB2 GLN 70 2HB GLN 70 -6.526 -10.524 -2.782 547 HB3 GLN 70 1HB GLN 70 -7.247 -9.002 -2.281 548 HG2 GLN 70 2HG GLN 70 -8.537 -8.941 -4.362 549 HG3 GLN 70 1HG GLN 70 -7.835 -10.489 -4.829 550 HE21 GLN 70 1HE2 GLN 70 -10.614 -9.762 -4.373 551 HE22 GLN 70 2HE2 GLN 70 -11.185 -10.835 -3.145 552 H LEU 71 H LEU 71 -6.161 -6.697 -2.507 553 HA LEU 71 HA LEU 71 -7.861 -5.257 -4.188 554 HB2 LEU 71 2HB LEU 71 -7.775 -4.734 -1.875 555 HB3 LEU 71 1HB LEU 71 -6.040 -4.500 -1.917 556 HG LEU 71 HG LEU 71 -6.383 -2.514 -3.315 557 HD11 LEU 71 1HD1 LEU 71 -9.301 -2.913 -2.667 558 HD12 LEU 71 2HD1 LEU 71 -8.565 -3.097 -4.259 559 HD13 LEU 71 3HD1 LEU 71 -8.604 -1.514 -3.483 560 HD21 LEU 71 1HD2 LEU 71 -7.775 -2.509 -0.643 561 HD22 LEU 71 2HD2 LEU 71 -7.204 -1.075 -1.494 562 HD23 LEU 71 3HD2 LEU 71 -6.049 -2.283 -0.930 563 H PHE 72 H PHE 72 -4.354 -5.205 -3.732 564 HA PHE 72 HA PHE 72 -3.796 -3.079 -5.486 565 HB2 PHE 72 2HB PHE 72 -2.183 -3.899 -3.827 566 HB3 PHE 72 1HB PHE 72 -2.042 -5.418 -4.702 567 HD1 PHE 72 1HD PHE 72 -1.730 -1.752 -5.348 568 HD2 PHE 72 2HD PHE 72 -0.225 -5.666 -6.080 569 HE1 PHE 72 1HE PHE 72 0.100 -0.795 -6.683 570 HE2 PHE 72 2HE PHE 72 1.607 -4.713 -7.415 571 HZ PHE 72 HZ PHE 72 1.771 -2.278 -7.718 572 H GLN 73 H GLN 73 -3.991 -6.580 -6.027 573 HA GLN 73 HA GLN 73 -3.129 -6.569 -8.704 574 HB2 GLN 73 2HB GLN 73 -4.969 -8.474 -7.258 575 HB3 GLN 73 1HB GLN 73 -4.349 -8.751 -8.879 576 HG2 GLN 73 2HG GLN 73 -2.076 -8.771 -8.029 577 HG3 GLN 73 1HG GLN 73 -2.669 -8.429 -6.404 578 HE21 GLN 73 1HE2 GLN 73 -3.768 -10.033 -5.282 579 HE22 GLN 73 2HE2 GLN 73 -3.677 -11.699 -5.736 580 H ARG 74 H ARG 74 -6.330 -6.136 -7.279 581 HA ARG 74 HA ARG 74 -7.848 -6.166 -9.638 582 HB2 ARG 74 2HB ARG 74 -8.255 -4.627 -7.077 583 HB3 ARG 74 1HB ARG 74 -9.440 -4.680 -8.371 584 HG2 ARG 74 2HG ARG 74 -9.600 -7.117 -8.087 585 HG3 ARG 74 1HG ARG 74 -8.454 -7.014 -6.745 586 HD2 ARG 74 2HD ARG 74 -10.772 -7.079 -5.949 587 HD3 ARG 74 1HD ARG 74 -9.981 -5.559 -5.530 588 HE ARG 74 HE ARG 74 -11.704 -5.748 -7.906 589 HH11 ARG 74 1HH1 ARG 74 -11.016 -4.309 -4.772 590 HH12 ARG 74 2HH1 ARG 74 -12.182 -3.041 -4.949 591 HH21 ARG 74 1HH2 ARG 74 -13.269 -4.081 -8.131 592 HH22 ARG 74 2HH2 ARG 74 -13.492 -2.938 -6.853 593 H PHE 75 H PHE 75 -6.065 -3.573 -8.059 594 HA PHE 75 HA PHE 75 -6.911 -1.465 -9.720 595 HB2 PHE 75 2HB PHE 75 -5.765 -1.169 -7.527 596 HB3 PHE 75 1HB PHE 75 -4.277 -1.760 -8.251 597 HD1 PHE 75 1HD PHE 75 -6.869 0.852 -8.866 598 HD2 PHE 75 2HD PHE 75 -2.745 -0.185 -8.934 599 HE1 PHE 75 1HE PHE 75 -6.307 3.155 -9.511 600 HE2 PHE 75 2HE PHE 75 -2.179 2.122 -9.587 601 HZ PHE 75 HZ PHE 75 -3.959 3.792 -9.874 602 H ARG 76 H ARG 76 -4.194 -3.708 -9.920 603 HA ARG 76 HA ARG 76 -2.992 -2.546 -12.200 604 HB2 ARG 76 2HB ARG 76 -2.831 -5.436 -11.356 605 HB3 ARG 76 1HB ARG 76 -1.694 -4.566 -12.372 606 HG2 ARG 76 2HG ARG 76 -1.394 -3.036 -10.314 607 HG3 ARG 76 1HG ARG 76 -2.125 -4.375 -9.429 608 HD2 ARG 76 2HD ARG 76 0.230 -4.664 -9.328 609 HD3 ARG 76 1HD ARG 76 -0.400 -5.870 -10.451 610 HE ARG 76 HE ARG 76 0.248 -3.842 -12.095 611 HH11 ARG 76 1HH1 ARG 76 2.020 -5.519 -9.596 612 HH12 ARG 76 2HH1 ARG 76 3.581 -5.183 -10.268 613 HH21 ARG 76 1HH2 ARG 76 2.281 -3.375 -13.025 614 HH22 ARG 76 2HH2 ARG 76 3.722 -3.968 -12.256 615 H GLU 77 H GLU 77 -5.332 -5.172 -11.804 616 HA GLU 77 HA GLU 77 -5.496 -5.925 -14.498 617 HB2 GLU 77 2HB GLU 77 -7.524 -6.090 -12.273 618 HB3 GLU 77 1HB GLU 77 -7.795 -6.773 -13.869 619 HG2 GLU 77 2HG GLU 77 -5.642 -7.540 -11.918 620 HG3 GLU 77 1HG GLU 77 -7.054 -8.493 -12.377 621 H ALA 78 H ALA 78 -7.299 -3.515 -12.652 622 HA ALA 78 HA ALA 78 -9.081 -2.766 -14.674 623 HB1 ALA 78 1HB ALA 78 -9.382 -0.699 -13.400 624 HB2 ALA 78 2HB ALA 78 -7.947 -1.078 -12.448 625 HB3 ALA 78 3HB ALA 78 -9.372 -2.111 -12.344 626 H ILE 79 H ILE 79 -5.829 -1.604 -13.902 627 HA ILE 79 HA ILE 79 -5.723 0.444 -15.858 628 HB ILE 79 HB ILE 79 -3.478 -1.147 -14.588 629 HG12 ILE 79 2HG1 ILE 79 -4.507 1.624 -13.961 630 HG13 ILE 79 1HG1 ILE 79 -4.908 0.175 -13.045 631 HG21 ILE 79 1HG2 ILE 79 -2.713 -0.161 -16.670 632 HG22 ILE 79 2HG2 ILE 79 -2.003 0.693 -15.299 633 HG23 ILE 79 3HG2 ILE 79 -3.348 1.411 -16.185 634 HD11 ILE 79 1HD1 ILE 79 -2.594 -0.103 -12.429 635 HD12 ILE 79 2HD1 ILE 79 -3.169 1.502 -11.973 636 HD13 ILE 79 3HD1 ILE 79 -2.145 1.301 -13.396 637 H ASP 80 H ASP 80 -4.777 -2.954 -15.876 638 HA ASP 80 HA ASP 80 -3.630 -3.034 -18.445 639 HB2 ASP 80 2HB ASP 80 -3.295 -4.807 -16.784 640 HB3 ASP 80 1HB ASP 80 -4.999 -5.233 -16.875 641 H LYS 81 H LYS 81 -6.944 -3.276 -17.343 642 HA LYS 81 HA LYS 81 -7.933 -3.965 -19.993 643 HB2 LYS 81 2HB LYS 81 -9.444 -3.348 -17.450 644 HB3 LYS 81 1HB LYS 81 -10.148 -3.971 -18.934 645 HG2 LYS 81 2HG LYS 81 -8.830 -6.013 -18.701 646 HG3 LYS 81 1HG LYS 81 -8.127 -5.383 -17.210 647 HD2 LYS 81 2HD LYS 81 -10.420 -5.243 -16.259 648 HD3 LYS 81 1HD LYS 81 -11.029 -6.025 -17.720 649 HE2 LYS 81 2HE LYS 81 -9.076 -7.172 -15.729 650 HE3 LYS 81 1HE LYS 81 -10.747 -7.673 -15.978 651 HZ1 LYS 81 1HZ LYS 81 -10.138 -8.357 -18.231 652 HZ2 LYS 81 2HZ LYS 81 -9.250 -9.185 -17.064 653 HZ3 LYS 81 3HZ LYS 81 -8.530 -7.934 -17.932 654 H GLY 82 H GLY 82 -6.997 -1.169 -18.479 655 HA2 GLY 82 2HA GLY 82 -7.196 1.035 -19.089 656 HA3 GLY 82 1HA GLY 82 -8.084 0.498 -20.507 657 H ASP 83 H ASP 83 -9.078 -0.248 -17.232 658 HA ASP 83 HA ASP 83 -11.557 1.236 -17.719 659 HB2 ASP 83 2HB ASP 83 -11.572 -1.189 -16.948 660 HB3 ASP 83 1HB ASP 83 -10.971 -0.608 -15.398 661 H LYS 84 H LYS 84 -11.139 3.317 -17.278 662 HA LYS 84 HA LYS 84 -9.432 4.195 -15.181 663 HB2 LYS 84 2HB LYS 84 -11.490 5.782 -16.710 664 HB3 LYS 84 1HB LYS 84 -10.134 6.425 -15.796 665 HG2 LYS 84 2HG LYS 84 -8.568 5.455 -17.350 666 HG3 LYS 84 1HG LYS 84 -9.879 4.663 -18.224 667 HD2 LYS 84 2HD LYS 84 -9.180 6.665 -19.411 668 HD3 LYS 84 1HD LYS 84 -10.814 6.876 -18.783 669 HE2 LYS 84 2HE LYS 84 -9.524 8.887 -18.416 670 HE3 LYS 84 1HE LYS 84 -9.894 8.124 -16.872 671 HZ1 LYS 84 1HZ LYS 84 -7.619 7.109 -16.998 672 HZ2 LYS 84 2HZ LYS 84 -7.645 8.785 -16.816 673 HZ3 LYS 84 3HZ LYS 84 -7.313 8.111 -18.323 674 H ASP 85 H ASP 85 -12.882 3.707 -15.456 675 HA ASP 85 HA ASP 85 -13.724 5.252 -13.270 676 HB2 ASP 85 2HB ASP 85 -15.314 4.470 -14.903 677 HB3 ASP 85 1HB ASP 85 -14.957 2.793 -14.508 678 H SER 86 H SER 86 -12.827 1.829 -13.454 679 HA SER 86 HA SER 86 -13.408 1.204 -10.775 680 HB2 SER 86 2HB SER 86 -11.331 -0.066 -12.571 681 HB3 SER 86 1HB SER 86 -12.014 -0.777 -11.109 682 HG SER 86 HG SER 86 -13.370 -0.131 -13.522 683 H LEU 87 H LEU 87 -10.601 2.664 -12.268 684 HA LEU 87 HA LEU 87 -8.715 2.129 -10.268 685 HB2 LEU 87 2HB LEU 87 -8.835 4.504 -12.129 686 HB3 LEU 87 1HB LEU 87 -7.425 3.989 -11.225 687 HG LEU 87 HG LEU 87 -8.784 2.437 -13.427 688 HD11 LEU 87 1HD1 LEU 87 -7.522 4.340 -14.251 689 HD12 LEU 87 2HD1 LEU 87 -6.717 2.826 -14.661 690 HD13 LEU 87 3HD1 LEU 87 -6.109 3.818 -13.335 691 HD21 LEU 87 1HD2 LEU 87 -6.334 1.778 -11.806 692 HD22 LEU 87 2HD2 LEU 87 -6.926 0.875 -13.202 693 HD23 LEU 87 3HD2 LEU 87 -7.890 0.952 -11.728 694 H GLU 88 H GLU 88 -10.914 4.936 -10.579 695 HA GLU 88 HA GLU 88 -9.876 6.295 -8.318 696 HB2 GLU 88 2HB GLU 88 -11.274 7.460 -9.949 697 HB3 GLU 88 1HB GLU 88 -12.641 6.433 -9.547 698 HG2 GLU 88 2HG GLU 88 -12.915 8.594 -8.515 699 HG3 GLU 88 1HG GLU 88 -12.660 7.374 -7.272 700 H GLN 89 H GLN 89 -12.512 3.971 -8.702 701 HA GLN 89 HA GLN 89 -13.394 3.956 -6.025 702 HB2 GLN 89 2HB GLN 89 -13.411 1.656 -7.987 703 HB3 GLN 89 1HB GLN 89 -14.420 1.813 -6.558 704 HG2 GLN 89 2HG GLN 89 -15.489 3.781 -7.552 705 HG3 GLN 89 1HG GLN 89 -14.504 3.568 -8.998 706 HE21 GLN 89 1HE2 GLN 89 -17.395 3.514 -8.676 707 HE22 GLN 89 2HE2 GLN 89 -17.912 1.973 -9.272 708 H LEU 90 H LEU 90 -10.959 2.123 -7.749 709 HA LEU 90 HA LEU 90 -10.152 0.396 -5.692 710 HB2 LEU 90 2HB LEU 90 -9.063 1.348 -8.268 711 HB3 LEU 90 1HB LEU 90 -7.895 0.711 -7.130 712 HG LEU 90 HG LEU 90 -8.761 -0.923 -8.839 713 HD11 LEU 90 1HD1 LEU 90 -7.653 -1.619 -6.839 714 HD12 LEU 90 2HD1 LEU 90 -8.964 -2.733 -7.236 715 HD13 LEU 90 3HD1 LEU 90 -9.167 -1.552 -5.938 716 HD21 LEU 90 1HD2 LEU 90 -10.933 -1.957 -8.431 717 HD22 LEU 90 2HD2 LEU 90 -11.117 -0.247 -8.824 718 HD23 LEU 90 3HD2 LEU 90 -11.261 -0.788 -7.152 719 H LEU 91 H LEU 91 -8.924 3.575 -6.697 720 HA LEU 91 HA LEU 91 -6.881 3.776 -4.780 721 HB2 LEU 91 2HB LEU 91 -8.499 5.926 -6.150 722 HB3 LEU 91 1HB LEU 91 -7.094 6.249 -5.156 723 HG LEU 91 HG LEU 91 -7.055 4.611 -7.690 724 HD11 LEU 91 1HD1 LEU 91 -5.933 6.537 -8.687 725 HD12 LEU 91 2HD1 LEU 91 -6.178 7.451 -7.199 726 HD13 LEU 91 3HD1 LEU 91 -7.566 6.942 -8.160 727 HD21 LEU 91 1HD2 LEU 91 -5.301 3.972 -6.133 728 HD22 LEU 91 2HD2 LEU 91 -4.833 5.660 -5.941 729 HD23 LEU 91 3HD2 LEU 91 -4.617 4.858 -7.496 730 H GLU 92 H GLU 92 -10.299 4.526 -4.662 731 HA GLU 92 HA GLU 92 -10.343 5.783 -2.140 732 HB2 GLU 92 2HB GLU 92 -12.211 5.877 -3.715 733 HB3 GLU 92 1HB GLU 92 -12.462 4.148 -3.541 734 HG2 GLU 92 2HG GLU 92 -12.966 4.522 -1.145 735 HG3 GLU 92 1HG GLU 92 -12.854 6.258 -1.440 736 H GLU 93 H GLU 93 -10.766 2.388 -3.120 737 HA GLU 93 HA GLU 93 -11.167 1.363 -0.520 738 HB2 GLU 93 2HB GLU 93 -10.089 0.040 -3.011 739 HB3 GLU 93 1HB GLU 93 -10.468 -0.825 -1.530 740 HG2 GLU 93 2HG GLU 93 -12.809 -0.063 -1.737 741 HG3 GLU 93 1HG GLU 93 -12.391 0.682 -3.281 742 H LEU 94 H LEU 94 -8.313 1.946 -2.460 743 HA LEU 94 HA LEU 94 -6.399 0.748 -0.799 744 HB2 LEU 94 2HB LEU 94 -5.980 1.504 -3.106 745 HB3 LEU 94 1HB LEU 94 -6.139 3.167 -2.586 746 HG LEU 94 HG LEU 94 -4.137 2.849 -1.135 747 HD11 LEU 94 1HD1 LEU 94 -4.241 0.441 -0.857 748 HD12 LEU 94 2HD1 LEU 94 -2.696 0.914 -1.563 749 HD13 LEU 94 3HD1 LEU 94 -3.953 0.211 -2.581 750 HD21 LEU 94 1HD2 LEU 94 -3.961 3.884 -3.333 751 HD22 LEU 94 2HD2 LEU 94 -3.762 2.297 -4.076 752 HD23 LEU 94 3HD2 LEU 94 -2.530 2.918 -2.977 753 H GLU 95 H GLU 95 -7.751 4.008 -0.863 754 HA GLU 95 HA GLU 95 -6.183 5.129 1.182 755 HB2 GLU 95 2HB GLU 95 -7.621 6.384 -0.432 756 HB3 GLU 95 1HB GLU 95 -9.033 5.817 0.444 757 HG2 GLU 95 2HG GLU 95 -8.241 6.986 2.447 758 HG3 GLU 95 1HG GLU 95 -6.851 7.577 1.535 759 H GLN 96 H GLN 96 -9.350 3.536 1.251 760 HA GLN 96 HA GLN 96 -9.786 3.760 4.024 761 HB2 GLN 96 2HB GLN 96 -10.847 1.818 1.977 762 HB3 GLN 96 1HB GLN 96 -11.381 1.829 3.653 763 HG2 GLN 96 2HG GLN 96 -11.589 4.160 1.762 764 HG3 GLN 96 1HG GLN 96 -12.900 3.045 2.151 765 HE21 GLN 96 1HE2 GLN 96 -13.842 3.128 4.171 766 HE22 GLN 96 2HE2 GLN 96 -13.618 4.457 5.252 767 H ALA 97 H ALA 97 -8.160 1.316 2.086 768 HA ALA 97 HA ALA 97 -7.727 -0.533 4.183 769 HB1 ALA 97 1HB ALA 97 -6.057 -1.528 2.698 770 HB2 ALA 97 2HB ALA 97 -6.138 -0.109 1.652 771 HB3 ALA 97 3HB ALA 97 -7.545 -1.157 1.827 772 H LEU 98 H LEU 98 -5.873 2.200 2.932 773 HA LEU 98 HA LEU 98 -3.572 1.858 4.516 774 HB2 LEU 98 2HB LEU 98 -4.817 4.319 3.303 775 HB3 LEU 98 1HB LEU 98 -3.299 4.360 4.174 776 HG LEU 98 HG LEU 98 -3.796 2.740 1.676 777 HD11 LEU 98 1HD1 LEU 98 -3.883 5.128 1.207 778 HD12 LEU 98 2HD1 LEU 98 -2.405 4.417 0.561 779 HD13 LEU 98 3HD1 LEU 98 -2.352 5.361 2.049 780 HD21 LEU 98 1HD2 LEU 98 -1.344 2.518 1.671 781 HD22 LEU 98 2HD2 LEU 98 -2.077 1.774 3.091 782 HD23 LEU 98 3HD2 LEU 98 -1.279 3.341 3.229 783 H GLN 99 H GLN 99 -6.655 3.438 5.118 784 HA GLN 99 HA GLN 99 -6.004 4.695 7.529 785 HB2 GLN 99 2HB GLN 99 -8.054 5.061 6.118 786 HB3 GLN 99 1HB GLN 99 -8.672 3.533 6.728 787 HG2 GLN 99 2HG GLN 99 -9.674 5.249 7.980 788 HG3 GLN 99 1HG GLN 99 -8.479 4.469 9.018 789 HE21 GLN 99 1HE2 GLN 99 -9.272 7.313 7.215 790 HE22 GLN 99 2HE2 GLN 99 -8.092 8.356 7.922 791 H LYS 100 H LYS 100 -7.294 1.489 6.785 792 HA LYS 100 HA LYS 100 -7.679 0.574 9.412 793 HB2 LYS 100 2HB LYS 100 -8.681 -0.618 7.597 794 HB3 LYS 100 1HB LYS 100 -7.126 -0.872 6.822 795 HG2 LYS 100 2HG LYS 100 -6.469 -2.355 8.673 796 HG3 LYS 100 1HG LYS 100 -8.064 -2.128 9.395 797 HD2 LYS 100 2HD LYS 100 -9.129 -3.147 7.497 798 HD3 LYS 100 1HD LYS 100 -7.598 -3.221 6.623 799 HE2 LYS 100 2HE LYS 100 -6.718 -4.793 8.245 800 HE3 LYS 100 1HE LYS 100 -8.192 -4.665 9.202 801 HZ1 LYS 100 1HZ LYS 100 -9.430 -5.621 7.371 802 HZ2 LYS 100 2HZ LYS 100 -8.184 -6.662 7.828 803 HZ3 LYS 100 3HZ LYS 100 -8.034 -5.726 6.426 804 H ILE 101 H ILE 101 -4.907 0.244 7.221 805 HA ILE 101 HA ILE 101 -3.286 -1.227 9.005 806 HB ILE 101 HB ILE 101 -2.477 0.578 6.707 807 HG12 ILE 101 2HG1 ILE 101 -2.816 -2.429 6.852 808 HG13 ILE 101 1HG1 ILE 101 -3.911 -1.310 6.046 809 HG21 ILE 101 1HG2 ILE 101 -0.846 -1.491 8.186 810 HG22 ILE 101 2HG2 ILE 101 -0.610 0.256 8.243 811 HG23 ILE 101 3HG2 ILE 101 -0.334 -0.622 6.738 812 HD11 ILE 101 1HD1 ILE 101 -2.468 -2.441 4.454 813 HD12 ILE 101 2HD1 ILE 101 -1.042 -1.826 5.291 814 HD13 ILE 101 3HD1 ILE 101 -2.138 -0.709 4.478 815 H ARG 102 H ARG 102 -3.636 2.224 8.360 816 HA ARG 102 HA ARG 102 -1.503 3.147 9.918 817 HB2 ARG 102 2HB ARG 102 -2.897 4.446 8.228 818 HB3 ARG 102 1HB ARG 102 -4.091 4.637 9.503 819 HG2 ARG 102 2HG ARG 102 -2.815 6.610 9.508 820 HG3 ARG 102 1HG ARG 102 -2.252 5.672 10.893 821 HD2 ARG 102 2HD ARG 102 -0.403 4.804 9.420 822 HD3 ARG 102 1HD ARG 102 -0.911 5.981 8.211 823 HE ARG 102 HE ARG 102 0.033 6.687 10.918 824 HH11 ARG 102 1HH1 ARG 102 -0.054 7.296 7.444 825 HH12 ARG 102 2HH1 ARG 102 0.896 8.733 7.536 826 HH21 ARG 102 1HH2 ARG 102 1.278 8.600 11.029 827 HH22 ARG 102 2HH2 ARG 102 1.671 9.472 9.586 828 H GLU 103 H GLU 103 -4.885 2.501 10.768 829 HA GLU 103 HA GLU 103 -4.860 3.586 13.352 830 HB2 GLU 103 2HB GLU 103 -6.439 1.277 12.215 831 HB3 GLU 103 1HB GLU 103 -6.737 1.974 13.800 832 HG2 GLU 103 2HG GLU 103 -6.898 3.488 11.207 833 HG3 GLU 103 1HG GLU 103 -8.274 2.776 12.047 834 H LEU 104 H LEU 104 -4.094 0.328 12.227 835 HA LEU 104 HA LEU 104 -3.561 -0.676 14.844 836 HB2 LEU 104 2HB LEU 104 -2.736 -1.789 12.164 837 HB3 LEU 104 1HB LEU 104 -2.707 -2.651 13.689 838 HG LEU 104 HG LEU 104 -5.176 -1.670 12.258 839 HD11 LEU 104 1HD1 LEU 104 -4.141 -3.577 11.163 840 HD12 LEU 104 2HD1 LEU 104 -5.652 -4.043 11.942 841 HD13 LEU 104 3HD1 LEU 104 -4.111 -4.454 12.692 842 HD21 LEU 104 1HD2 LEU 104 -4.884 -3.220 14.830 843 HD22 LEU 104 2HD2 LEU 104 -6.402 -2.931 13.983 844 HD23 LEU 104 3HD2 LEU 104 -5.500 -1.575 14.659 845 H ALA 105 H ALA 105 -1.641 0.785 12.313 846 HA ALA 105 HA ALA 105 0.885 -0.006 13.366 847 HB1 ALA 105 1HB ALA 105 1.847 1.464 11.700 848 HB2 ALA 105 2HB ALA 105 0.267 2.187 11.397 849 HB3 ALA 105 3HB ALA 105 0.555 0.494 10.994 850 H GLU 106 H GLU 106 -1.205 2.758 13.980 851 HA GLU 106 HA GLU 106 0.872 4.427 15.035 852 HB2 GLU 106 2HB GLU 106 -2.116 4.553 15.487 853 HB3 GLU 106 1HB GLU 106 -0.974 5.793 15.970 854 HG2 GLU 106 2HG GLU 106 -1.594 4.939 13.151 855 HG3 GLU 106 1HG GLU 106 -2.145 6.411 13.944 856 H LYS 107 H LYS 107 -1.056 1.869 16.301 857 HA LYS 107 HA LYS 107 -1.164 0.792 18.301 858 HB2 LYS 107 2HB LYS 107 1.346 2.334 18.978 859 HB3 LYS 107 1HB LYS 107 0.736 0.933 19.842 860 HG2 LYS 107 2HG LYS 107 1.651 0.941 16.974 861 HG3 LYS 107 1HG LYS 107 2.609 0.399 18.352 862 HD2 LYS 107 2HD LYS 107 0.880 -1.302 18.834 863 HD3 LYS 107 1HD LYS 107 0.012 -0.788 17.384 864 HE2 LYS 107 2HE LYS 107 1.379 -2.777 16.963 865 HE3 LYS 107 1HE LYS 107 1.917 -1.398 16.004 866 HZ1 LYS 107 1HZ LYS 107 3.758 -2.658 17.035 867 HZ2 LYS 107 2HZ LYS 107 3.159 -2.251 18.559 868 HZ3 LYS 107 3HZ LYS 107 3.719 -1.040 17.528 869 H LYS 108 H LYS 108 -2.197 1.042 20.256 870 HA LYS 108 HA LYS 108 -2.834 3.814 20.941 871 HB2 LYS 108 2HB LYS 108 -4.689 2.910 22.264 872 HB3 LYS 108 1HB LYS 108 -4.755 2.361 20.599 873 HG2 LYS 108 2HG LYS 108 -3.903 0.194 21.247 874 HG3 LYS 108 1HG LYS 108 -3.728 0.740 22.919 875 HD2 LYS 108 2HD LYS 108 -6.148 1.136 23.021 876 HD3 LYS 108 1HD LYS 108 -6.305 0.552 21.365 877 HE2 LYS 108 2HE LYS 108 -5.274 -1.053 23.700 878 HE3 LYS 108 1HE LYS 108 -6.897 -1.163 23.026 879 HZ1 LYS 108 1HZ LYS 108 -5.579 -2.918 22.138 880 HZ2 LYS 108 2HZ LYS 108 -4.353 -1.866 21.672 881 HZ3 LYS 108 3HZ LYS 108 -5.854 -1.811 20.892 882 H ASN 109 H ASN 109 -0.442 1.955 21.685 883 HA ASN 109 HA ASN 109 -0.508 2.120 24.578 884 HB2 ASN 109 2HB ASN 109 1.728 1.252 22.730 885 HB3 ASN 109 1HB ASN 109 1.752 1.130 24.483 886 HD21 ASN 109 1HD2 ASN 109 2.071 -0.976 22.612 887 HD22 ASN 109 2HD2 ASN 109 0.779 -2.096 22.863 Start of MODEL 11 1 H1 SER 1 1HT SER 1 9.517 7.777 19.492 2 H2 SER 1 2HT SER 1 9.017 6.208 19.898 3 H3 SER 1 3HT SER 1 9.018 6.715 18.275 4 HA SER 1 HA SER 1 11.349 6.859 18.217 5 HB2 SER 1 2HB SER 1 11.264 6.009 21.121 6 HB3 SER 1 1HB SER 1 12.716 6.320 20.167 7 HG SER 1 HG SER 1 11.961 8.093 21.545 8 H GLU 2 H GLU 2 9.080 4.887 17.932 9 HA GLU 2 HA GLU 2 10.709 2.579 17.427 10 HB2 GLU 2 2HB GLU 2 10.131 2.376 19.859 11 HB3 GLU 2 1HB GLU 2 8.439 2.284 19.393 12 HG2 GLU 2 2HG GLU 2 9.224 0.079 19.782 13 HG3 GLU 2 1HG GLU 2 8.985 0.273 18.047 14 H PHE 3 H PHE 3 7.358 3.742 17.768 15 HA PHE 3 HA PHE 3 6.401 1.876 15.797 16 HB2 PHE 3 2HB PHE 3 4.963 4.155 17.157 17 HB3 PHE 3 1HB PHE 3 4.210 2.891 16.188 18 HD1 PHE 3 1HD PHE 3 5.555 3.787 19.410 19 HD2 PHE 3 2HD PHE 3 4.247 0.544 16.989 20 HE1 PHE 3 1HE PHE 3 5.391 2.368 21.408 21 HE2 PHE 3 2HE PHE 3 4.076 -0.881 18.985 22 HZ PHE 3 HZ PHE 3 4.651 0.034 21.196 23 H GLU 4 H GLU 4 7.495 5.161 15.759 24 HA GLU 4 HA GLU 4 6.134 5.932 13.401 25 HB2 GLU 4 2HB GLU 4 7.559 7.872 13.328 26 HB3 GLU 4 1HB GLU 4 7.091 7.578 14.993 27 HG2 GLU 4 2HG GLU 4 9.752 6.927 13.743 28 HG3 GLU 4 1HG GLU 4 9.408 8.258 14.844 29 H LYS 5 H LYS 5 8.815 3.911 13.937 30 HA LYS 5 HA LYS 5 10.204 4.166 11.500 31 HB2 LYS 5 2HB LYS 5 9.785 1.682 13.183 32 HB3 LYS 5 1HB LYS 5 11.023 1.890 11.955 33 HG2 LYS 5 2HG LYS 5 12.132 3.557 13.266 34 HG3 LYS 5 1HG LYS 5 10.817 3.571 14.444 35 HD2 LYS 5 2HD LYS 5 11.308 1.210 14.975 36 HD3 LYS 5 1HD LYS 5 12.661 1.257 13.842 37 HE2 LYS 5 2HE LYS 5 13.773 2.932 15.173 38 HE3 LYS 5 1HE LYS 5 12.383 3.054 16.250 39 HZ1 LYS 5 1HZ LYS 5 12.751 0.749 16.910 40 HZ2 LYS 5 2HZ LYS 5 14.115 1.701 17.225 41 HZ3 LYS 5 3HZ LYS 5 14.108 0.661 15.894 42 H LEU 6 H LEU 6 7.431 2.209 12.474 43 HA LEU 6 HA LEU 6 7.106 0.940 9.937 44 HB2 LEU 6 2HB LEU 6 5.174 1.282 12.231 45 HB3 LEU 6 1HB LEU 6 4.913 0.239 10.848 46 HG LEU 6 HG LEU 6 7.119 -0.095 12.884 47 HD11 LEU 6 1HD1 LEU 6 4.927 -0.553 13.838 48 HD12 LEU 6 2HD1 LEU 6 5.852 -2.041 13.632 49 HD13 LEU 6 3HD1 LEU 6 4.561 -1.641 12.499 50 HD21 LEU 6 1HD2 LEU 6 6.257 -1.831 10.571 51 HD22 LEU 6 2HD2 LEU 6 7.444 -2.279 11.796 52 HD23 LEU 6 3HD2 LEU 6 7.771 -0.936 10.703 53 H ARG 7 H ARG 7 5.787 3.763 11.545 54 HA ARG 7 HA ARG 7 3.789 4.389 9.674 55 HB2 ARG 7 2HB ARG 7 5.305 6.095 11.624 56 HB3 ARG 7 1HB ARG 7 4.075 6.758 10.567 57 HG2 ARG 7 2HG ARG 7 2.459 5.132 11.541 58 HG3 ARG 7 1HG ARG 7 3.709 4.674 12.700 59 HD2 ARG 7 2HD ARG 7 2.140 6.343 13.612 60 HD3 ARG 7 1HD ARG 7 3.801 6.933 13.553 61 HE ARG 7 HE ARG 7 2.728 7.807 11.212 62 HH11 ARG 7 1HH1 ARG 7 1.710 8.107 14.564 63 HH12 ARG 7 2HH1 ARG 7 1.006 9.672 14.328 64 HH21 ARG 7 1HH2 ARG 7 1.781 9.875 10.915 65 HH22 ARG 7 2HH2 ARG 7 1.039 10.677 12.253 66 H GLN 8 H GLN 8 7.226 5.109 9.746 67 HA GLN 8 HA GLN 8 7.258 7.063 7.734 68 HB2 GLN 8 2HB GLN 8 9.193 6.614 9.166 69 HB3 GLN 8 1HB GLN 8 9.380 5.025 8.441 70 HG2 GLN 8 2HG GLN 8 9.923 6.023 6.307 71 HG3 GLN 8 1HG GLN 8 9.634 7.634 6.959 72 HE21 GLN 8 1HE2 GLN 8 12.031 6.469 5.771 73 HE22 GLN 8 2HE2 GLN 8 13.282 6.660 6.947 74 H THR 9 H THR 9 7.532 3.532 7.533 75 HA THR 9 HA THR 9 7.830 3.423 4.729 76 HB THR 9 HB THR 9 6.613 1.302 6.520 77 HG1 THR 9 1HG THR 9 8.557 1.299 7.384 78 HG21 THR 9 1HG2 THR 9 7.493 -0.253 4.829 79 HG22 THR 9 2HG2 THR 9 8.079 1.112 3.878 80 HG23 THR 9 3HG2 THR 9 6.347 0.880 4.115 81 H GLY 10 H GLY 10 5.025 3.377 6.872 82 HA2 GLY 10 2HA GLY 10 3.051 2.934 4.894 83 HA3 GLY 10 1HA GLY 10 2.780 3.667 6.470 84 H ASP 11 H ASP 11 4.505 5.862 6.208 85 HA ASP 11 HA ASP 11 2.868 7.737 4.894 86 HB2 ASP 11 2HB ASP 11 4.398 8.250 6.799 87 HB3 ASP 11 1HB ASP 11 5.765 8.057 5.711 88 H GLU 12 H GLU 12 5.860 6.106 3.948 89 HA GLU 12 HA GLU 12 6.320 7.464 1.534 90 HB2 GLU 12 2HB GLU 12 6.913 4.584 2.251 91 HB3 GLU 12 1HB GLU 12 7.542 5.407 0.833 92 HG2 GLU 12 2HG GLU 12 8.103 6.120 3.701 93 HG3 GLU 12 1HG GLU 12 9.200 5.300 2.591 94 H LEU 13 H LEU 13 4.328 4.662 2.315 95 HA LEU 13 HA LEU 13 3.499 4.012 -0.283 96 HB2 LEU 13 2HB LEU 13 2.091 3.670 2.362 97 HB3 LEU 13 1HB LEU 13 1.503 2.996 0.857 98 HG LEU 13 HG LEU 13 4.149 2.296 2.135 99 HD11 LEU 13 1HD1 LEU 13 2.269 1.514 3.479 100 HD12 LEU 13 2HD1 LEU 13 3.088 0.167 2.690 101 HD13 LEU 13 3HD1 LEU 13 1.554 0.761 2.054 102 HD21 LEU 13 1HD2 LEU 13 2.675 1.113 -0.218 103 HD22 LEU 13 2HD2 LEU 13 4.146 0.461 0.501 104 HD23 LEU 13 3HD2 LEU 13 4.175 2.039 -0.284 105 H VAL 14 H VAL 14 2.126 6.231 2.114 106 HA VAL 14 HA VAL 14 -0.174 6.980 0.690 107 HB VAL 14 HB VAL 14 1.474 8.717 2.554 108 HG11 VAL 14 1HG1 VAL 14 -0.101 10.022 1.228 109 HG12 VAL 14 2HG1 VAL 14 -0.612 9.956 2.914 110 HG13 VAL 14 3HG1 VAL 14 -1.415 8.948 1.709 111 HG21 VAL 14 1HG2 VAL 14 -0.076 7.988 4.304 112 HG22 VAL 14 2HG2 VAL 14 0.804 6.621 3.618 113 HG23 VAL 14 3HG2 VAL 14 -0.871 6.915 3.153 114 H GLN 15 H GLN 15 3.083 8.355 0.691 115 HA GLN 15 HA GLN 15 2.568 10.446 -1.133 116 HB2 GLN 15 2HB GLN 15 5.146 8.971 -0.591 117 HB3 GLN 15 1HB GLN 15 5.011 10.507 -1.435 118 HG2 GLN 15 2HG GLN 15 4.203 11.584 0.558 119 HG3 GLN 15 1HG GLN 15 4.175 10.044 1.414 120 HE21 GLN 15 1HE2 GLN 15 6.688 9.169 0.187 121 HE22 GLN 15 2HE2 GLN 15 7.934 10.045 1.001 122 H ALA 16 H ALA 16 3.809 7.166 -1.570 123 HA ALA 16 HA ALA 16 4.281 7.364 -4.328 124 HB1 ALA 16 1HB ALA 16 4.469 4.951 -4.299 125 HB2 ALA 16 2HB ALA 16 3.697 4.891 -2.714 126 HB3 ALA 16 3HB ALA 16 5.279 5.647 -2.896 127 H PHE 17 H PHE 17 1.429 6.187 -2.536 128 HA PHE 17 HA PHE 17 0.034 5.424 -4.879 129 HB2 PHE 17 2HB PHE 17 -0.782 5.831 -2.035 130 HB3 PHE 17 1HB PHE 17 -2.022 5.654 -3.272 131 HD1 PHE 17 1HD PHE 17 0.300 3.947 -1.158 132 HD2 PHE 17 2HD PHE 17 -1.952 3.595 -4.745 133 HE1 PHE 17 1HE PHE 17 0.548 1.504 -1.068 134 HE2 PHE 17 2HE PHE 17 -1.707 1.150 -4.663 135 HZ PHE 17 HZ PHE 17 -0.460 0.103 -2.820 136 H GLN 18 H GLN 18 0.045 8.451 -3.016 137 HA GLN 18 HA GLN 18 -1.978 9.677 -4.568 138 HB2 GLN 18 2HB GLN 18 0.279 10.880 -2.964 139 HB3 GLN 18 1HB GLN 18 -1.003 11.820 -3.710 140 HG2 GLN 18 2HG GLN 18 -2.646 10.519 -2.369 141 HG3 GLN 18 1HG GLN 18 -1.288 9.761 -1.540 142 HE21 GLN 18 1HE2 GLN 18 -3.429 11.436 -0.507 143 HE22 GLN 18 2HE2 GLN 18 -2.651 12.786 0.258 144 H ARG 19 H ARG 19 1.504 9.467 -4.839 145 HA ARG 19 HA ARG 19 1.904 11.087 -7.099 146 HB2 ARG 19 2HB ARG 19 3.805 10.404 -5.850 147 HB3 ARG 19 1HB ARG 19 3.341 8.716 -5.918 148 HG2 ARG 19 2HG ARG 19 3.844 8.744 -8.354 149 HG3 ARG 19 1HG ARG 19 4.457 10.389 -8.154 150 HD2 ARG 19 2HD ARG 19 6.194 9.670 -6.715 151 HD3 ARG 19 1HD ARG 19 5.465 8.080 -6.510 152 HE ARG 19 HE ARG 19 6.353 8.845 -9.187 153 HH11 ARG 19 1HH1 ARG 19 6.986 7.004 -6.259 154 HH12 ARG 19 2HH1 ARG 19 8.047 5.879 -7.045 155 HH21 ARG 19 1HH2 ARG 19 7.761 7.352 -10.212 156 HH22 ARG 19 2HH2 ARG 19 8.454 6.053 -9.284 157 H LEU 20 H LEU 20 1.125 7.681 -6.712 158 HA LEU 20 HA LEU 20 1.178 6.863 -9.385 159 HB2 LEU 20 2HB LEU 20 1.049 5.375 -7.407 160 HB3 LEU 20 1HB LEU 20 -0.595 5.906 -7.134 161 HG LEU 20 HG LEU 20 -1.159 4.940 -9.404 162 HD11 LEU 20 1HD1 LEU 20 1.139 4.854 -10.259 163 HD12 LEU 20 2HD1 LEU 20 0.346 3.281 -10.317 164 HD13 LEU 20 3HD1 LEU 20 1.528 3.627 -9.055 165 HD21 LEU 20 1HD2 LEU 20 -1.290 2.656 -8.536 166 HD22 LEU 20 2HD2 LEU 20 -1.749 3.839 -7.311 167 HD23 LEU 20 3HD2 LEU 20 -0.158 3.079 -7.252 168 H ARG 21 H ARG 21 -1.447 8.147 -7.386 169 HA ARG 21 HA ARG 21 -3.484 8.032 -9.319 170 HB2 ARG 21 2HB ARG 21 -3.957 8.345 -6.960 171 HB3 ARG 21 1HB ARG 21 -3.142 9.896 -6.974 172 HG2 ARG 21 2HG ARG 21 -4.825 10.858 -8.369 173 HG3 ARG 21 1HG ARG 21 -5.590 9.286 -8.615 174 HD2 ARG 21 2HD ARG 21 -6.773 10.693 -6.967 175 HD3 ARG 21 1HD ARG 21 -6.200 9.169 -6.292 176 HE ARG 21 HE ARG 21 -4.456 11.460 -5.939 177 HH11 ARG 21 1HH1 ARG 21 -7.006 9.483 -4.559 178 HH12 ARG 21 2HH1 ARG 21 -6.631 9.910 -2.917 179 HH21 ARG 21 1HH2 ARG 21 -3.967 12.041 -3.765 180 HH22 ARG 21 2HH2 ARG 21 -4.887 11.339 -2.466 181 H GLU 22 H GLU 22 -1.217 10.600 -8.461 182 HA GLU 22 HA GLU 22 -2.211 12.546 -10.222 183 HB2 GLU 22 2HB GLU 22 0.546 12.129 -9.075 184 HB3 GLU 22 1HB GLU 22 0.116 13.529 -10.049 185 HG2 GLU 22 2HG GLU 22 -1.513 14.226 -8.443 186 HG3 GLU 22 1HG GLU 22 -1.299 12.743 -7.519 187 H ILE 23 H ILE 23 0.271 10.068 -10.683 188 HA ILE 23 HA ILE 23 0.957 10.770 -13.334 189 HB ILE 23 HB ILE 23 1.129 8.099 -11.920 190 HG12 ILE 23 2HG1 ILE 23 3.252 10.185 -12.437 191 HG13 ILE 23 1HG1 ILE 23 2.400 9.985 -10.910 192 HG21 ILE 23 1HG2 ILE 23 2.539 8.985 -14.428 193 HG22 ILE 23 2HG2 ILE 23 1.164 7.880 -14.385 194 HG23 ILE 23 3HG2 ILE 23 2.691 7.419 -13.629 195 HD11 ILE 23 1HD1 ILE 23 3.293 7.727 -10.729 196 HD12 ILE 23 2HD1 ILE 23 4.563 8.945 -10.811 197 HD13 ILE 23 3HD1 ILE 23 4.187 7.964 -12.230 198 H PHE 24 H PHE 24 -1.423 8.537 -11.989 199 HA PHE 24 HA PHE 24 -2.438 7.468 -14.377 200 HB2 PHE 24 2HB PHE 24 -3.013 6.457 -12.275 201 HB3 PHE 24 1HB PHE 24 -3.687 7.960 -11.666 202 HD1 PHE 24 1HD PHE 24 -4.207 5.535 -14.465 203 HD2 PHE 24 2HD PHE 24 -5.963 8.170 -11.622 204 HE1 PHE 24 1HE PHE 24 -6.451 4.799 -15.166 205 HE2 PHE 24 2HE PHE 24 -8.204 7.440 -12.317 206 HZ PHE 24 HZ PHE 24 -8.457 5.753 -14.081 207 H ASP 25 H ASP 25 -3.281 10.339 -12.542 208 HA ASP 25 HA ASP 25 -5.409 11.231 -14.170 209 HB2 ASP 25 2HB ASP 25 -5.195 12.063 -11.933 210 HB3 ASP 25 1HB ASP 25 -3.570 12.654 -12.246 211 H LYS 26 H LYS 26 -1.940 11.624 -14.342 212 HA LYS 26 HA LYS 26 -2.001 13.630 -16.406 213 HB2 LYS 26 2HB LYS 26 0.230 11.895 -15.331 214 HB3 LYS 26 1HB LYS 26 0.463 13.105 -16.583 215 HG2 LYS 26 2HG LYS 26 -0.175 14.866 -15.065 216 HG3 LYS 26 1HG LYS 26 -0.587 13.684 -13.823 217 HD2 LYS 26 2HD LYS 26 1.583 14.673 -13.351 218 HD3 LYS 26 1HD LYS 26 1.768 12.966 -13.751 219 HE2 LYS 26 2HE LYS 26 2.466 13.548 -16.007 220 HE3 LYS 26 1HE LYS 26 2.202 15.258 -15.666 221 HZ1 LYS 26 1HZ LYS 26 4.552 14.561 -15.511 222 HZ2 LYS 26 2HZ LYS 26 4.155 13.550 -14.221 223 HZ3 LYS 26 3HZ LYS 26 3.967 15.218 -14.067 224 H GLY 27 H GLY 27 -2.462 10.292 -16.330 225 HA2 GLY 27 2HA GLY 27 -2.974 8.845 -18.048 226 HA3 GLY 27 1HA GLY 27 -2.716 10.165 -19.179 227 H ASP 28 H ASP 28 -0.257 9.252 -16.889 228 HA ASP 28 HA ASP 28 1.404 8.441 -19.154 229 HB2 ASP 28 2HB ASP 28 2.172 10.225 -17.503 230 HB3 ASP 28 1HB ASP 28 2.353 8.919 -16.338 231 H ASP 29 H ASP 29 0.786 6.375 -19.514 232 HA ASP 29 HA ASP 29 0.365 4.448 -17.461 233 HB2 ASP 29 2HB ASP 29 0.122 2.837 -19.249 234 HB3 ASP 29 1HB ASP 29 -0.691 4.328 -19.712 235 H ASP 30 H ASP 30 3.148 5.495 -19.224 236 HA ASP 30 HA ASP 30 4.764 3.192 -18.944 237 HB2 ASP 30 2HB ASP 30 5.361 4.872 -20.557 238 HB3 ASP 30 1HB ASP 30 5.481 6.104 -19.305 239 H SER 31 H SER 31 4.633 6.187 -17.050 240 HA SER 31 HA SER 31 6.483 5.277 -15.088 241 HB2 SER 31 2HB SER 31 4.459 7.501 -14.811 242 HB3 SER 31 1HB SER 31 5.962 7.305 -13.908 243 HG SER 31 HG SER 31 5.584 7.949 -16.632 244 H LEU 32 H LEU 32 3.061 5.026 -15.510 245 HA LEU 32 HA LEU 32 2.215 4.726 -12.871 246 HB2 LEU 32 2HB LEU 32 0.844 5.042 -14.984 247 HB3 LEU 32 1HB LEU 32 1.027 3.323 -15.252 248 HG LEU 32 HG LEU 32 -0.080 2.965 -13.011 249 HD11 LEU 32 1HD1 LEU 32 -1.411 4.795 -12.123 250 HD12 LEU 32 2HD1 LEU 32 -0.753 5.883 -13.344 251 HD13 LEU 32 3HD1 LEU 32 0.304 5.204 -12.107 252 HD21 LEU 32 1HD2 LEU 32 -1.624 4.350 -15.196 253 HD22 LEU 32 2HD2 LEU 32 -2.330 3.385 -13.901 254 HD23 LEU 32 3HD2 LEU 32 -1.272 2.625 -15.089 255 H GLU 33 H GLU 33 3.186 2.188 -15.232 256 HA GLU 33 HA GLU 33 2.750 0.036 -13.456 257 HB2 GLU 33 2HB GLU 33 2.898 -0.282 -15.877 258 HB3 GLU 33 1HB GLU 33 4.584 0.213 -15.851 259 HG2 GLU 33 2HG GLU 33 4.473 -2.165 -16.017 260 HG3 GLU 33 1HG GLU 33 5.098 -1.730 -14.430 261 H GLN 34 H GLN 34 5.547 2.066 -14.107 262 HA GLN 34 HA GLN 34 7.439 0.574 -12.665 263 HB2 GLN 34 2HB GLN 34 7.334 3.527 -13.275 264 HB3 GLN 34 1HB GLN 34 8.713 2.735 -12.527 265 HG2 GLN 34 2HG GLN 34 7.588 2.152 -15.259 266 HG3 GLN 34 1HG GLN 34 9.075 3.030 -14.903 267 HE21 GLN 34 1HE2 GLN 34 10.883 1.890 -14.191 268 HE22 GLN 34 2HE2 GLN 34 11.004 0.175 -14.340 269 H VAL 35 H VAL 35 5.219 3.132 -11.655 270 HA VAL 35 HA VAL 35 6.189 3.261 -8.983 271 HB VAL 35 HB VAL 35 3.439 4.016 -10.006 272 HG11 VAL 35 1HG1 VAL 35 4.914 4.861 -7.508 273 HG12 VAL 35 2HG1 VAL 35 3.517 3.787 -7.572 274 HG13 VAL 35 3HG1 VAL 35 3.350 5.480 -8.039 275 HG21 VAL 35 1HG2 VAL 35 5.131 5.204 -11.234 276 HG22 VAL 35 2HG2 VAL 35 5.959 5.638 -9.739 277 HG23 VAL 35 3HG2 VAL 35 4.367 6.302 -10.086 278 H LEU 36 H LEU 36 3.693 1.365 -10.608 279 HA LEU 36 HA LEU 36 2.552 0.176 -8.340 280 HB2 LEU 36 2HB LEU 36 2.973 -1.018 -11.091 281 HB3 LEU 36 1HB LEU 36 1.929 -1.698 -9.863 282 HG LEU 36 HG LEU 36 1.530 0.963 -11.235 283 HD11 LEU 36 1HD1 LEU 36 1.133 -0.954 -12.702 284 HD12 LEU 36 2HD1 LEU 36 -0.368 -0.117 -12.308 285 HD13 LEU 36 3HD1 LEU 36 0.031 -1.638 -11.508 286 HD21 LEU 36 1HD2 LEU 36 0.679 1.003 -8.958 287 HD22 LEU 36 2HD2 LEU 36 -0.191 -0.505 -9.240 288 HD23 LEU 36 3HD2 LEU 36 -0.651 0.956 -10.115 289 H GLU 37 H GLU 37 5.343 -0.648 -10.287 290 HA GLU 37 HA GLU 37 6.085 -3.035 -9.000 291 HB2 GLU 37 2HB GLU 37 7.006 -2.448 -11.136 292 HB3 GLU 37 1HB GLU 37 7.674 -0.956 -10.496 293 HG2 GLU 37 2HG GLU 37 9.203 -2.254 -9.101 294 HG3 GLU 37 1HG GLU 37 8.544 -3.740 -9.782 295 H GLU 38 H GLU 38 6.917 0.348 -8.405 296 HA GLU 38 HA GLU 38 8.781 -0.062 -6.350 297 HB2 GLU 38 2HB GLU 38 6.921 2.257 -6.881 298 HB3 GLU 38 1HB GLU 38 8.210 2.295 -5.691 299 HG2 GLU 38 2HG GLU 38 9.862 1.992 -7.445 300 HG3 GLU 38 1HG GLU 38 8.578 1.888 -8.649 301 H ILE 39 H ILE 39 5.290 0.366 -6.305 302 HA ILE 39 HA ILE 39 4.898 0.433 -3.538 303 HB ILE 39 HB ILE 39 3.075 -0.678 -5.684 304 HG12 ILE 39 2HG1 ILE 39 3.654 1.704 -5.980 305 HG13 ILE 39 1HG1 ILE 39 1.952 1.481 -5.593 306 HG21 ILE 39 1HG2 ILE 39 2.428 0.097 -2.844 307 HG22 ILE 39 2HG2 ILE 39 2.456 -1.541 -3.499 308 HG23 ILE 39 3HG2 ILE 39 1.259 -0.381 -4.076 309 HD11 ILE 39 1HD1 ILE 39 2.425 2.102 -3.268 310 HD12 ILE 39 2HD1 ILE 39 2.845 3.376 -4.411 311 HD13 ILE 39 3HD1 ILE 39 4.113 2.376 -3.701 312 H GLU 40 H GLU 40 5.187 -2.272 -5.779 313 HA GLU 40 HA GLU 40 4.371 -4.300 -4.017 314 HB2 GLU 40 2HB GLU 40 6.277 -4.471 -6.352 315 HB3 GLU 40 1HB GLU 40 5.536 -5.850 -5.548 316 HG2 GLU 40 2HG GLU 40 3.317 -4.954 -6.159 317 HG3 GLU 40 1HG GLU 40 4.120 -3.668 -7.053 318 H GLU 41 H GLU 41 7.540 -2.905 -4.636 319 HA GLU 41 HA GLU 41 8.949 -4.647 -2.891 320 HB2 GLU 41 2HB GLU 41 10.038 -3.344 -4.688 321 HB3 GLU 41 1HB GLU 41 9.683 -1.864 -3.812 322 HG2 GLU 41 2HG GLU 41 11.986 -2.505 -3.475 323 HG3 GLU 41 1HG GLU 41 11.094 -2.629 -1.960 324 H LEU 42 H LEU 42 7.484 -1.441 -2.524 325 HA LEU 42 HA LEU 42 8.409 -0.909 0.078 326 HB2 LEU 42 2HB LEU 42 5.860 0.018 -1.243 327 HB3 LEU 42 1HB LEU 42 6.538 0.694 0.223 328 HG LEU 42 HG LEU 42 7.793 0.792 -2.516 329 HD11 LEU 42 1HD1 LEU 42 6.533 2.948 -0.831 330 HD12 LEU 42 2HD1 LEU 42 5.868 2.258 -2.311 331 HD13 LEU 42 3HD1 LEU 42 7.361 3.195 -2.368 332 HD21 LEU 42 1HD2 LEU 42 9.439 2.293 -1.465 333 HD22 LEU 42 2HD2 LEU 42 9.506 0.659 -0.807 334 HD23 LEU 42 3HD2 LEU 42 8.725 1.947 0.111 335 H ILE 43 H ILE 43 5.441 -2.470 -1.054 336 HA ILE 43 HA ILE 43 4.276 -2.938 1.465 337 HB ILE 43 HB ILE 43 4.086 -4.631 -1.045 338 HG12 ILE 43 2HG1 ILE 43 2.181 -2.533 0.014 339 HG13 ILE 43 1HG1 ILE 43 3.333 -2.266 -1.290 340 HG21 ILE 43 1HG2 ILE 43 1.994 -5.497 -0.063 341 HG22 ILE 43 2HG2 ILE 43 2.351 -4.619 1.424 342 HG23 ILE 43 3HG2 ILE 43 3.416 -5.921 0.892 343 HD11 ILE 43 1HD1 ILE 43 1.067 -4.251 -1.327 344 HD12 ILE 43 2HD1 ILE 43 2.205 -3.951 -2.641 345 HD13 ILE 43 3HD1 ILE 43 1.086 -2.684 -2.137 346 H GLN 44 H GLN 44 6.524 -4.836 -0.482 347 HA GLN 44 HA GLN 44 6.693 -7.083 1.173 348 HB2 GLN 44 2HB GLN 44 7.441 -7.252 -1.066 349 HB3 GLN 44 1HB GLN 44 8.520 -5.880 -0.892 350 HG2 GLN 44 2HG GLN 44 10.030 -7.135 0.423 351 HG3 GLN 44 1HG GLN 44 8.882 -8.467 0.573 352 HE21 GLN 44 1HE2 GLN 44 10.998 -6.743 -1.633 353 HE22 GLN 44 2HE2 GLN 44 11.126 -8.026 -2.787 354 H LYS 45 H LYS 45 8.568 -4.083 1.096 355 HA LYS 45 HA LYS 45 10.426 -4.769 3.103 356 HB2 LYS 45 2HB LYS 45 9.354 -2.063 2.288 357 HB3 LYS 45 1HB LYS 45 10.730 -2.310 3.352 358 HG2 LYS 45 2HG LYS 45 11.992 -3.322 1.590 359 HG3 LYS 45 1HG LYS 45 10.589 -3.312 0.520 360 HD2 LYS 45 2HD LYS 45 12.080 -1.496 -0.062 361 HD3 LYS 45 1HD LYS 45 10.580 -0.847 0.598 362 HE2 LYS 45 2HE LYS 45 11.677 -0.532 2.767 363 HE3 LYS 45 1HE LYS 45 13.175 -1.182 2.102 364 HZ1 LYS 45 1HZ LYS 45 13.196 0.664 0.514 365 HZ2 LYS 45 2HZ LYS 45 13.230 1.210 2.109 366 HZ3 LYS 45 3HZ LYS 45 11.800 1.300 1.222 367 H HIS 46 H HIS 46 7.279 -3.153 3.240 368 HA HIS 46 HA HIS 46 7.283 -2.627 6.005 369 HB2 HIS 46 2HB HIS 46 5.709 -1.581 4.377 370 HB3 HIS 46 1HB HIS 46 4.877 -3.124 4.234 371 HD1 HIS 46 1HD HIS 46 2.997 -3.510 5.883 372 HD2 HIS 46 2HD HIS 46 5.572 -0.478 7.073 373 HE1 HIS 46 1HE HIS 46 1.971 -2.480 7.947 374 H ARG 47 H ARG 47 6.219 -5.423 4.134 375 HA ARG 47 HA ARG 47 5.015 -6.860 6.229 376 HB2 ARG 47 2HB ARG 47 6.412 -7.851 3.737 377 HB3 ARG 47 1HB ARG 47 5.473 -8.876 4.812 378 HG2 ARG 47 2HG ARG 47 3.462 -7.697 4.297 379 HG3 ARG 47 1HG ARG 47 4.355 -6.470 3.397 380 HD2 ARG 47 2HD ARG 47 3.311 -7.992 1.849 381 HD3 ARG 47 1HD ARG 47 5.057 -8.212 1.791 382 HE ARG 47 HE ARG 47 4.011 -10.039 3.623 383 HH11 ARG 47 1HH1 ARG 47 3.936 -9.416 0.162 384 HH12 ARG 47 2HH1 ARG 47 3.654 -11.068 -0.259 385 HH21 ARG 47 1HH2 ARG 47 3.658 -12.232 3.049 386 HH22 ARG 47 2HH2 ARG 47 3.505 -12.672 1.381 387 H GLN 48 H GLN 48 8.353 -6.741 5.079 388 HA GLN 48 HA GLN 48 9.424 -8.707 6.767 389 HB2 GLN 48 2HB GLN 48 10.591 -7.775 4.808 390 HB3 GLN 48 1HB GLN 48 10.723 -6.227 5.623 391 HG2 GLN 48 2HG GLN 48 12.811 -7.366 5.731 392 HG3 GLN 48 1HG GLN 48 12.119 -7.295 7.349 393 HE21 GLN 48 1HE2 GLN 48 13.311 -9.030 8.069 394 HE22 GLN 48 2HE2 GLN 48 13.003 -10.654 7.574 395 H LEU 49 H LEU 49 9.035 -5.212 7.148 396 HA LEU 49 HA LEU 49 10.313 -5.038 9.669 397 HB2 LEU 49 2HB LEU 49 8.303 -3.201 8.373 398 HB3 LEU 49 1HB LEU 49 9.221 -2.817 9.815 399 HG LEU 49 HG LEU 49 10.386 -3.312 7.074 400 HD11 LEU 49 1HD1 LEU 49 10.898 -0.926 7.105 401 HD12 LEU 49 2HD1 LEU 49 10.060 -0.765 8.649 402 HD13 LEU 49 3HD1 LEU 49 9.161 -1.215 7.200 403 HD21 LEU 49 1HD2 LEU 49 12.485 -2.517 8.080 404 HD22 LEU 49 2HD2 LEU 49 11.920 -4.012 8.822 405 HD23 LEU 49 3HD2 LEU 49 11.701 -2.474 9.659 406 H PHE 50 H PHE 50 6.922 -5.392 8.711 407 HA PHE 50 HA PHE 50 5.860 -5.146 11.321 408 HB2 PHE 50 2HB PHE 50 4.509 -4.878 9.258 409 HB3 PHE 50 1HB PHE 50 4.666 -6.603 8.952 410 HD1 PHE 50 1HD PHE 50 3.290 -4.109 11.310 411 HD2 PHE 50 2HD PHE 50 3.228 -8.154 9.989 412 HE1 PHE 50 1HE PHE 50 1.292 -4.522 12.683 413 HE2 PHE 50 2HE PHE 50 1.228 -8.574 11.360 414 HZ PHE 50 HZ PHE 50 0.258 -6.758 12.709 415 H ASP 51 H ASP 51 6.818 -7.966 9.399 416 HA ASP 51 HA ASP 51 5.998 -9.897 11.310 417 HB2 ASP 51 2HB ASP 51 6.371 -10.476 8.957 418 HB3 ASP 51 1HB ASP 51 8.084 -10.110 9.129 419 H ASN 52 H ASN 52 8.911 -8.033 10.877 420 HA ASN 52 HA ASN 52 10.434 -9.528 12.805 421 HB2 ASN 52 2HB ASN 52 11.500 -8.299 10.922 422 HB3 ASN 52 1HB ASN 52 10.977 -6.782 11.645 423 HD21 ASN 52 1HD2 ASN 52 12.091 -5.958 13.362 424 HD22 ASN 52 2HD2 ASN 52 13.572 -6.632 13.946 425 H ARG 53 H ARG 53 8.261 -6.845 12.832 426 HA ARG 53 HA ARG 53 8.970 -5.620 15.248 427 HB2 ARG 53 2HB ARG 53 7.482 -4.467 13.792 428 HB3 ARG 53 1HB ARG 53 6.358 -5.812 13.749 429 HG2 ARG 53 2HG ARG 53 5.539 -3.895 15.067 430 HG3 ARG 53 1HG ARG 53 5.666 -5.376 16.013 431 HD2 ARG 53 2HD ARG 53 6.485 -3.465 17.277 432 HD3 ARG 53 1HD ARG 53 7.785 -4.604 16.940 433 HE ARG 53 HE ARG 53 7.618 -2.502 15.007 434 HH11 ARG 53 1HH1 ARG 53 8.870 -3.423 18.148 435 HH12 ARG 53 2HH1 ARG 53 10.118 -2.229 18.153 436 HH21 ARG 53 1HH2 ARG 53 9.281 -0.895 15.009 437 HH22 ARG 53 2HH2 ARG 53 10.343 -0.771 16.376 438 H GLN 54 H GLN 54 6.894 -8.399 14.591 439 HA GLN 54 HA GLN 54 7.252 -9.243 17.314 440 HB2 GLN 54 2HB GLN 54 4.880 -9.517 17.816 441 HB3 GLN 54 1HB GLN 54 5.281 -7.830 17.547 442 HG2 GLN 54 2HG GLN 54 4.355 -8.017 15.266 443 HG3 GLN 54 1HG GLN 54 3.880 -9.677 15.628 444 HE21 GLN 54 1HE2 GLN 54 2.290 -10.038 17.216 445 HE22 GLN 54 2HE2 GLN 54 1.166 -8.801 17.655 446 H GLU 55 H GLU 55 7.363 -11.371 17.475 447 HA GLU 55 HA GLU 55 7.051 -12.872 15.009 448 HB2 GLU 55 2HB GLU 55 8.308 -13.708 17.624 449 HB3 GLU 55 1HB GLU 55 8.386 -14.589 16.102 450 HG2 GLU 55 2HG GLU 55 9.576 -12.671 15.097 451 HG3 GLU 55 1HG GLU 55 9.576 -11.884 16.672 452 H ALA 56 H ALA 56 6.206 -15.108 15.144 453 HA ALA 56 HA ALA 56 4.536 -16.581 15.492 454 HB1 ALA 56 1HB ALA 56 3.584 -16.868 17.706 455 HB2 ALA 56 2HB ALA 56 4.209 -15.298 18.204 456 HB3 ALA 56 3HB ALA 56 5.324 -16.613 17.837 457 H ALA 57 H ALA 57 4.151 -13.836 14.465 458 HA ALA 57 HA ALA 57 1.223 -13.694 14.757 459 HB1 ALA 57 1HB ALA 57 1.385 -11.273 14.402 460 HB2 ALA 57 2HB ALA 57 3.143 -11.401 14.337 461 HB3 ALA 57 3HB ALA 57 2.287 -11.771 15.833 462 H ASP 58 H ASP 58 3.001 -15.131 12.881 463 HA ASP 58 HA ASP 58 3.190 -13.853 10.403 464 HB2 ASP 58 2HB ASP 58 4.432 -15.887 10.898 465 HB3 ASP 58 1HB ASP 58 2.934 -16.803 11.019 466 H THR 59 H THR 59 0.570 -15.756 11.803 467 HA THR 59 HA THR 59 -0.984 -15.914 9.466 468 HB THR 59 HB THR 59 -1.468 -17.417 11.293 469 HG1 THR 59 1HG THR 59 -3.804 -16.834 11.570 470 HG21 THR 59 1HG2 THR 59 -2.268 -14.970 12.879 471 HG22 THR 59 2HG2 THR 59 -0.858 -15.986 13.179 472 HG23 THR 59 3HG2 THR 59 -2.481 -16.640 13.400 473 H GLU 60 H GLU 60 -0.857 -13.473 12.027 474 HA GLU 60 HA GLU 60 -3.088 -11.990 11.060 475 HB2 GLU 60 2HB GLU 60 -2.205 -11.890 13.407 476 HB3 GLU 60 1HB GLU 60 -0.811 -11.012 12.792 477 HG2 GLU 60 2HG GLU 60 -2.456 -9.512 13.770 478 HG3 GLU 60 1HG GLU 60 -2.252 -9.209 12.045 479 H ALA 61 H ALA 61 0.402 -11.813 10.643 480 HA ALA 61 HA ALA 61 0.454 -9.467 9.077 481 HB1 ALA 61 1HB ALA 61 2.388 -11.787 9.096 482 HB2 ALA 61 2HB ALA 61 2.454 -10.381 10.157 483 HB3 ALA 61 3HB ALA 61 2.700 -10.188 8.421 484 H ALA 62 H ALA 62 -0.061 -12.847 8.332 485 HA ALA 62 HA ALA 62 0.123 -12.589 5.509 486 HB1 ALA 62 1HB ALA 62 -1.269 -14.709 7.142 487 HB2 ALA 62 2HB ALA 62 0.421 -14.742 6.644 488 HB3 ALA 62 3HB ALA 62 -0.857 -14.820 5.431 489 H LYS 63 H LYS 63 -2.528 -12.466 7.833 490 HA LYS 63 HA LYS 63 -4.632 -12.429 5.978 491 HB2 LYS 63 2HB LYS 63 -5.064 -12.861 8.310 492 HB3 LYS 63 1HB LYS 63 -4.429 -11.289 8.767 493 HG2 LYS 63 2HG LYS 63 -6.295 -10.204 7.598 494 HG3 LYS 63 1HG LYS 63 -6.938 -11.791 7.175 495 HD2 LYS 63 2HD LYS 63 -6.439 -10.929 10.016 496 HD3 LYS 63 1HD LYS 63 -7.974 -10.658 9.195 497 HE2 LYS 63 2HE LYS 63 -6.665 -13.349 9.606 498 HE3 LYS 63 1HE LYS 63 -7.980 -12.700 10.583 499 HZ1 LYS 63 1HZ LYS 63 -9.326 -12.595 8.530 500 HZ2 LYS 63 2HZ LYS 63 -8.885 -14.163 8.958 501 HZ3 LYS 63 3HZ LYS 63 -8.084 -13.385 7.693 502 H GLN 64 H GLN 64 -2.804 -9.792 7.470 503 HA GLN 64 HA GLN 64 -4.268 -7.744 6.116 504 HB2 GLN 64 2HB GLN 64 -3.173 -7.283 8.234 505 HB3 GLN 64 1HB GLN 64 -1.607 -7.669 7.541 506 HG2 GLN 64 2HG GLN 64 -1.851 -5.756 6.003 507 HG3 GLN 64 1HG GLN 64 -3.375 -5.350 6.791 508 HE21 GLN 64 1HE2 GLN 64 -2.607 -3.348 7.435 509 HE22 GLN 64 2HE2 GLN 64 -1.456 -3.171 8.712 510 H GLY 65 H GLY 65 -1.158 -9.344 5.606 511 HA2 GLY 65 2HA GLY 65 -0.303 -7.656 3.502 512 HA3 GLY 65 1HA GLY 65 0.348 -9.239 3.888 513 H ASP 66 H ASP 66 -1.858 -10.861 3.468 514 HA ASP 66 HA ASP 66 -1.696 -11.183 0.675 515 HB2 ASP 66 2HB ASP 66 -2.079 -13.098 2.093 516 HB3 ASP 66 1HB ASP 66 -3.595 -12.416 2.674 517 H GLN 67 H GLN 67 -4.234 -9.833 2.729 518 HA GLN 67 HA GLN 67 -6.137 -9.488 0.670 519 HB2 GLN 67 2HB GLN 67 -6.785 -9.450 3.015 520 HB3 GLN 67 1HB GLN 67 -5.791 -8.031 3.297 521 HG2 GLN 67 2HG GLN 67 -8.124 -7.417 3.186 522 HG3 GLN 67 1HG GLN 67 -7.249 -6.722 1.825 523 HE21 GLN 67 1HE2 GLN 67 -9.572 -9.105 2.819 524 HE22 GLN 67 2HE2 GLN 67 -10.210 -9.438 1.248 525 H TRP 68 H TRP 68 -3.646 -7.332 2.013 526 HA TRP 68 HA TRP 68 -4.406 -5.107 0.460 527 HB2 TRP 68 2HB TRP 68 -3.190 -4.849 2.540 528 HB3 TRP 68 1HB TRP 68 -1.826 -5.748 1.886 529 HD1 TRP 68 HD TRP 68 0.020 -4.343 0.967 530 HE1 TRP 68 1HE TRP 68 0.293 -1.901 0.151 531 HE3 TRP 68 3HE TRP 68 -4.835 -2.846 1.304 532 HZ2 TRP 68 2HZ TRP 68 -1.354 0.347 -0.288 533 HZ3 TRP 68 3HZ TRP 68 -5.414 -0.541 0.669 534 HH2 TRP 68 HH TRP 68 -3.709 1.020 -0.110 535 H VAL 69 H VAL 69 -1.812 -7.529 0.083 536 HA VAL 69 HA VAL 69 -0.706 -6.441 -2.261 537 HB VAL 69 HB VAL 69 -0.707 -9.311 -1.285 538 HG11 VAL 69 1HG1 VAL 69 1.149 -9.693 -2.846 539 HG12 VAL 69 2HG1 VAL 69 0.938 -8.065 -3.491 540 HG13 VAL 69 3HG1 VAL 69 -0.334 -9.267 -3.700 541 HG21 VAL 69 1HG2 VAL 69 1.580 -8.812 -0.583 542 HG22 VAL 69 2HG2 VAL 69 0.429 -7.717 0.185 543 HG23 VAL 69 3HG2 VAL 69 1.406 -7.161 -1.175 544 H GLN 70 H GLN 70 -3.258 -8.877 -1.820 545 HA GLN 70 HA GLN 70 -3.566 -9.425 -4.573 546 HB2 GLN 70 2HB GLN 70 -4.380 -10.922 -2.779 547 HB3 GLN 70 1HB GLN 70 -5.604 -9.734 -2.365 548 HG2 GLN 70 2HG GLN 70 -6.684 -10.020 -4.473 549 HG3 GLN 70 1HG GLN 70 -5.384 -11.058 -5.054 550 HE21 GLN 70 1HE2 GLN 70 -8.243 -11.589 -4.799 551 HE22 GLN 70 2HE2 GLN 70 -8.377 -12.984 -3.786 552 H LEU 71 H LEU 71 -5.147 -7.126 -2.381 553 HA LEU 71 HA LEU 71 -7.061 -6.165 -4.165 554 HB2 LEU 71 2HB LEU 71 -7.215 -5.732 -1.812 555 HB3 LEU 71 1HB LEU 71 -5.656 -4.936 -1.801 556 HG LEU 71 HG LEU 71 -6.603 -3.161 -3.198 557 HD11 LEU 71 1HD1 LEU 71 -9.215 -4.569 -2.656 558 HD12 LEU 71 2HD1 LEU 71 -8.448 -4.348 -4.229 559 HD13 LEU 71 3HD1 LEU 71 -9.063 -2.952 -3.342 560 HD21 LEU 71 1HD2 LEU 71 -7.884 -2.093 -1.384 561 HD22 LEU 71 2HD2 LEU 71 -6.411 -2.869 -0.802 562 HD23 LEU 71 3HD2 LEU 71 -7.974 -3.650 -0.559 563 H PHE 72 H PHE 72 -3.719 -5.240 -3.520 564 HA PHE 72 HA PHE 72 -3.649 -3.021 -5.256 565 HB2 PHE 72 2HB PHE 72 -1.943 -3.266 -3.574 566 HB3 PHE 72 1HB PHE 72 -1.447 -4.821 -4.234 567 HD1 PHE 72 1HD PHE 72 -1.672 -1.214 -5.059 568 HD2 PHE 72 2HD PHE 72 0.224 -4.941 -5.833 569 HE1 PHE 72 1HE PHE 72 -0.046 -0.083 -6.512 570 HE2 PHE 72 2HE PHE 72 1.852 -3.816 -7.284 571 HZ PHE 72 HZ PHE 72 1.718 -1.391 -7.625 572 H GLN 73 H GLN 73 -2.927 -6.456 -5.736 573 HA GLN 73 HA GLN 73 -1.995 -6.214 -8.383 574 HB2 GLN 73 2HB GLN 73 -3.335 -8.560 -7.026 575 HB3 GLN 73 1HB GLN 73 -2.540 -8.635 -8.591 576 HG2 GLN 73 2HG GLN 73 -1.229 -7.990 -5.957 577 HG3 GLN 73 1HG GLN 73 -1.107 -9.505 -6.844 578 HE21 GLN 73 1HE2 GLN 73 0.990 -7.687 -5.994 579 HE22 GLN 73 2HE2 GLN 73 1.847 -7.213 -7.419 580 H ARG 74 H ARG 74 -5.225 -6.531 -7.023 581 HA ARG 74 HA ARG 74 -6.598 -6.899 -9.463 582 HB2 ARG 74 2HB ARG 74 -7.633 -5.517 -6.979 583 HB3 ARG 74 1HB ARG 74 -8.609 -6.162 -8.289 584 HG2 ARG 74 2HG ARG 74 -6.977 -7.688 -6.282 585 HG3 ARG 74 1HG ARG 74 -8.726 -7.696 -6.492 586 HD2 ARG 74 2HD ARG 74 -6.693 -8.770 -8.451 587 HD3 ARG 74 1HD ARG 74 -7.714 -9.729 -7.388 588 HE ARG 74 HE ARG 74 -8.502 -8.387 -9.844 589 HH11 ARG 74 1HH1 ARG 74 -9.570 -10.027 -6.918 590 HH12 ARG 74 2HH1 ARG 74 -11.108 -10.455 -7.585 591 HH21 ARG 74 1HH2 ARG 74 -10.505 -8.960 -10.702 592 HH22 ARG 74 2HH2 ARG 74 -11.651 -9.842 -9.742 593 H PHE 75 H PHE 75 -5.475 -4.039 -7.764 594 HA PHE 75 HA PHE 75 -6.699 -2.092 -9.378 595 HB2 PHE 75 2HB PHE 75 -5.560 -1.568 -7.238 596 HB3 PHE 75 1HB PHE 75 -4.012 -1.962 -7.974 597 HD1 PHE 75 1HD PHE 75 -6.776 0.449 -7.895 598 HD2 PHE 75 2HD PHE 75 -2.906 -0.414 -9.435 599 HE1 PHE 75 1HE PHE 75 -6.553 2.784 -8.630 600 HE2 PHE 75 2HE PHE 75 -2.676 1.921 -10.174 601 HZ PHE 75 HZ PHE 75 -4.500 3.523 -9.771 602 H ARG 76 H ARG 76 -3.591 -3.772 -9.647 603 HA ARG 76 HA ARG 76 -2.735 -2.540 -12.032 604 HB2 ARG 76 2HB ARG 76 -1.109 -3.740 -10.772 605 HB3 ARG 76 1HB ARG 76 -2.080 -5.205 -10.775 606 HG2 ARG 76 2HG ARG 76 -1.695 -5.473 -13.165 607 HG3 ARG 76 1HG ARG 76 -0.754 -3.980 -13.188 608 HD2 ARG 76 2HD ARG 76 -0.016 -6.233 -11.360 609 HD3 ARG 76 1HD ARG 76 0.481 -6.250 -13.049 610 HE ARG 76 HE ARG 76 1.481 -3.964 -12.482 611 HH11 ARG 76 1HH1 ARG 76 1.234 -6.596 -10.162 612 HH12 ARG 76 2HH1 ARG 76 2.682 -6.157 -9.321 613 HH21 ARG 76 1HH2 ARG 76 3.375 -3.384 -11.388 614 HH22 ARG 76 2HH2 ARG 76 3.916 -4.317 -10.017 615 H GLU 77 H GLU 77 -4.689 -5.412 -11.410 616 HA GLU 77 HA GLU 77 -4.988 -6.282 -14.056 617 HB2 GLU 77 2HB GLU 77 -5.670 -7.706 -12.241 618 HB3 GLU 77 1HB GLU 77 -6.823 -6.512 -11.668 619 HG2 GLU 77 2HG GLU 77 -8.219 -6.854 -13.587 620 HG3 GLU 77 1HG GLU 77 -7.021 -7.919 -14.318 621 H ALA 78 H ALA 78 -6.866 -3.995 -12.126 622 HA ALA 78 HA ALA 78 -8.797 -3.400 -14.074 623 HB1 ALA 78 1HB ALA 78 -9.071 -2.800 -11.723 624 HB2 ALA 78 2HB ALA 78 -9.240 -1.382 -12.759 625 HB3 ALA 78 3HB ALA 78 -7.748 -1.644 -11.857 626 H ILE 79 H ILE 79 -5.575 -2.099 -13.469 627 HA ILE 79 HA ILE 79 -5.658 0.009 -15.366 628 HB ILE 79 HB ILE 79 -3.310 -1.612 -14.334 629 HG12 ILE 79 2HG1 ILE 79 -4.496 -0.291 -12.617 630 HG13 ILE 79 1HG1 ILE 79 -2.860 0.296 -12.889 631 HG21 ILE 79 1HG2 ILE 79 -1.861 0.181 -15.176 632 HG22 ILE 79 2HG2 ILE 79 -3.259 0.947 -15.929 633 HG23 ILE 79 3HG2 ILE 79 -2.723 -0.640 -16.477 634 HD11 ILE 79 1HD1 ILE 79 -3.796 2.083 -14.319 635 HD12 ILE 79 2HD1 ILE 79 -4.342 2.156 -12.644 636 HD13 ILE 79 3HD1 ILE 79 -5.413 1.525 -13.894 637 H ASP 80 H ASP 80 -4.554 -3.339 -15.534 638 HA ASP 80 HA ASP 80 -3.663 -3.330 -18.197 639 HB2 ASP 80 2HB ASP 80 -3.004 -5.063 -16.623 640 HB3 ASP 80 1HB ASP 80 -4.670 -5.609 -16.484 641 H LYS 81 H LYS 81 -6.825 -3.976 -16.798 642 HA LYS 81 HA LYS 81 -7.943 -4.667 -19.385 643 HB2 LYS 81 2HB LYS 81 -9.005 -4.614 -16.587 644 HB3 LYS 81 1HB LYS 81 -10.135 -4.614 -17.932 645 HG2 LYS 81 2HG LYS 81 -9.768 -6.867 -17.098 646 HG3 LYS 81 1HG LYS 81 -9.175 -6.707 -18.750 647 HD2 LYS 81 2HD LYS 81 -6.889 -6.390 -17.837 648 HD3 LYS 81 1HD LYS 81 -7.530 -6.694 -16.222 649 HE2 LYS 81 2HE LYS 81 -8.213 -8.916 -16.877 650 HE3 LYS 81 1HE LYS 81 -7.702 -8.613 -18.536 651 HZ1 LYS 81 1HZ LYS 81 -5.968 -8.811 -16.138 652 HZ2 LYS 81 2HZ LYS 81 -5.423 -8.270 -17.645 653 HZ3 LYS 81 3HZ LYS 81 -6.003 -9.850 -17.474 654 H GLY 82 H GLY 82 -7.374 -1.847 -17.637 655 HA2 GLY 82 2HA GLY 82 -7.828 0.343 -18.182 656 HA3 GLY 82 1HA GLY 82 -8.672 -0.237 -19.611 657 H ASP 83 H ASP 83 -9.460 -1.269 -16.373 658 HA ASP 83 HA ASP 83 -12.144 -0.227 -16.766 659 HB2 ASP 83 2HB ASP 83 -11.746 -2.569 -15.920 660 HB3 ASP 83 1HB ASP 83 -11.127 -1.859 -14.432 661 H LYS 84 H LYS 84 -11.807 1.943 -16.554 662 HA LYS 84 HA LYS 84 -10.422 3.156 -14.408 663 HB2 LYS 84 2HB LYS 84 -10.750 4.311 -16.521 664 HB3 LYS 84 1HB LYS 84 -12.491 4.275 -16.305 665 HG2 LYS 84 2HG LYS 84 -12.333 5.793 -14.434 666 HG3 LYS 84 1HG LYS 84 -10.571 5.753 -14.515 667 HD2 LYS 84 2HD LYS 84 -10.578 6.821 -16.655 668 HD3 LYS 84 1HD LYS 84 -12.331 6.683 -16.775 669 HE2 LYS 84 2HE LYS 84 -11.691 8.953 -16.182 670 HE3 LYS 84 1HE LYS 84 -12.576 8.192 -14.864 671 HZ1 LYS 84 1HZ LYS 84 -9.617 8.320 -14.963 672 HZ2 LYS 84 2HZ LYS 84 -10.591 7.900 -13.634 673 HZ3 LYS 84 3HZ LYS 84 -10.574 9.487 -14.209 674 H ASP 85 H ASP 85 -13.616 1.962 -14.781 675 HA ASP 85 HA ASP 85 -14.992 3.440 -12.855 676 HB2 ASP 85 2HB ASP 85 -16.048 1.906 -14.483 677 HB3 ASP 85 1HB ASP 85 -15.390 0.539 -13.594 678 H SER 86 H SER 86 -13.272 0.338 -12.533 679 HA SER 86 HA SER 86 -13.634 0.205 -9.714 680 HB2 SER 86 2HB SER 86 -11.548 -1.201 -11.395 681 HB3 SER 86 1HB SER 86 -12.108 -1.675 -9.790 682 HG SER 86 HG SER 86 -13.520 -1.698 -12.245 683 H LEU 87 H LEU 87 -11.171 1.545 -11.818 684 HA LEU 87 HA LEU 87 -9.103 1.856 -9.953 685 HB2 LEU 87 2HB LEU 87 -9.766 3.535 -12.367 686 HB3 LEU 87 1HB LEU 87 -8.266 3.641 -11.468 687 HG LEU 87 HG LEU 87 -9.235 1.208 -12.967 688 HD11 LEU 87 1HD1 LEU 87 -8.540 3.053 -14.437 689 HD12 LEU 87 2HD1 LEU 87 -7.450 1.675 -14.523 690 HD13 LEU 87 3HD1 LEU 87 -6.989 3.108 -13.604 691 HD21 LEU 87 1HD2 LEU 87 -6.673 1.743 -11.478 692 HD22 LEU 87 2HD2 LEU 87 -6.977 0.348 -12.513 693 HD23 LEU 87 3HD2 LEU 87 -7.924 0.576 -11.043 694 H GLU 88 H GLU 88 -11.712 4.092 -10.842 695 HA GLU 88 HA GLU 88 -10.999 6.242 -9.224 696 HB2 GLU 88 2HB GLU 88 -13.771 5.245 -9.908 697 HB3 GLU 88 1HB GLU 88 -13.406 6.831 -9.248 698 HG2 GLU 88 2HG GLU 88 -12.518 5.760 -11.913 699 HG3 GLU 88 1HG GLU 88 -13.780 6.959 -11.628 700 H GLN 89 H GLN 89 -12.940 3.395 -8.445 701 HA GLN 89 HA GLN 89 -13.563 4.156 -5.797 702 HB2 GLN 89 2HB GLN 89 -14.910 2.572 -7.031 703 HB3 GLN 89 1HB GLN 89 -13.543 1.482 -7.189 704 HG2 GLN 89 2HG GLN 89 -15.074 0.691 -5.534 705 HG3 GLN 89 1HG GLN 89 -13.546 1.133 -4.778 706 HE21 GLN 89 1HE2 GLN 89 -14.470 1.383 -2.786 707 HE22 GLN 89 2HE2 GLN 89 -15.507 2.708 -2.378 708 H LEU 90 H LEU 90 -11.119 1.986 -7.189 709 HA LEU 90 HA LEU 90 -10.064 1.069 -4.756 710 HB2 LEU 90 2HB LEU 90 -8.770 1.258 -7.468 711 HB3 LEU 90 1HB LEU 90 -8.081 0.403 -6.102 712 HG LEU 90 HG LEU 90 -10.691 -0.278 -7.462 713 HD11 LEU 90 1HD1 LEU 90 -9.513 -2.264 -8.246 714 HD12 LEU 90 2HD1 LEU 90 -8.021 -1.669 -7.518 715 HD13 LEU 90 3HD1 LEU 90 -8.765 -0.786 -8.852 716 HD21 LEU 90 1HD2 LEU 90 -10.612 -2.308 -6.067 717 HD22 LEU 90 2HD2 LEU 90 -10.767 -0.840 -5.104 718 HD23 LEU 90 3HD2 LEU 90 -9.207 -1.655 -5.223 719 H LEU 91 H LEU 91 -9.228 3.898 -6.700 720 HA LEU 91 HA LEU 91 -6.833 4.561 -5.409 721 HB2 LEU 91 2HB LEU 91 -8.914 6.305 -6.713 722 HB3 LEU 91 1HB LEU 91 -7.404 6.936 -6.090 723 HG LEU 91 HG LEU 91 -7.607 4.846 -8.259 724 HD11 LEU 91 1HD1 LEU 91 -6.950 6.657 -9.777 725 HD12 LEU 91 2HD1 LEU 91 -7.104 7.810 -8.451 726 HD13 LEU 91 3HD1 LEU 91 -8.524 6.945 -9.038 727 HD21 LEU 91 1HD2 LEU 91 -5.525 4.717 -7.016 728 HD22 LEU 91 2HD2 LEU 91 -5.279 6.452 -7.206 729 HD23 LEU 91 3HD2 LEU 91 -5.231 5.395 -8.617 730 H GLU 92 H GLU 92 -10.169 5.369 -4.583 731 HA GLU 92 HA GLU 92 -9.493 7.029 -2.374 732 HB2 GLU 92 2HB GLU 92 -11.652 7.186 -3.533 733 HB3 GLU 92 1HB GLU 92 -12.065 5.569 -2.988 734 HG2 GLU 92 2HG GLU 92 -11.954 6.372 -0.653 735 HG3 GLU 92 1HG GLU 92 -11.659 8.001 -1.264 736 H GLU 93 H GLU 93 -10.464 3.626 -2.679 737 HA GLU 93 HA GLU 93 -10.567 3.092 0.085 738 HB2 GLU 93 2HB GLU 93 -10.165 1.247 -2.262 739 HB3 GLU 93 1HB GLU 93 -10.357 0.682 -0.611 740 HG2 GLU 93 2HG GLU 93 -12.547 1.964 -0.587 741 HG3 GLU 93 1HG GLU 93 -12.351 2.107 -2.332 742 H LEU 94 H LEU 94 -7.958 2.668 -2.267 743 HA LEU 94 HA LEU 94 -6.166 1.438 -0.481 744 HB2 LEU 94 2HB LEU 94 -5.911 2.801 -3.114 745 HB3 LEU 94 1HB LEU 94 -4.449 2.540 -2.186 746 HG LEU 94 HG LEU 94 -4.791 0.134 -2.224 747 HD11 LEU 94 1HD1 LEU 94 -6.617 -0.891 -3.478 748 HD12 LEU 94 2HD1 LEU 94 -7.317 0.703 -3.765 749 HD13 LEU 94 3HD1 LEU 94 -7.220 0.065 -2.123 750 HD21 LEU 94 1HD2 LEU 94 -5.157 1.340 -4.961 751 HD22 LEU 94 2HD2 LEU 94 -4.531 -0.272 -4.611 752 HD23 LEU 94 3HD2 LEU 94 -3.628 1.155 -4.105 753 H GLU 95 H GLU 95 -6.629 4.845 -1.358 754 HA GLU 95 HA GLU 95 -4.502 5.844 0.198 755 HB2 GLU 95 2HB GLU 95 -5.573 7.148 -1.583 756 HB3 GLU 95 1HB GLU 95 -7.062 7.210 -0.654 757 HG2 GLU 95 2HG GLU 95 -6.020 8.566 1.030 758 HG3 GLU 95 1HG GLU 95 -4.447 8.388 0.257 759 H GLN 96 H GLN 96 -7.917 5.228 0.950 760 HA GLN 96 HA GLN 96 -7.943 6.358 3.507 761 HB2 GLN 96 2HB GLN 96 -9.958 5.958 2.295 762 HB3 GLN 96 1HB GLN 96 -9.582 4.255 2.119 763 HG2 GLN 96 2HG GLN 96 -11.273 4.475 3.700 764 HG3 GLN 96 1HG GLN 96 -9.802 4.014 4.551 765 HE21 GLN 96 1HE2 GLN 96 -12.235 5.335 5.532 766 HE22 GLN 96 2HE2 GLN 96 -11.714 6.822 6.242 767 H ALA 97 H ALA 97 -7.312 3.090 2.308 768 HA ALA 97 HA ALA 97 -7.126 1.794 4.787 769 HB1 ALA 97 1HB ALA 97 -5.724 1.094 2.212 770 HB2 ALA 97 2HB ALA 97 -7.359 0.609 2.656 771 HB3 ALA 97 3HB ALA 97 -5.981 0.016 3.584 772 H LEU 98 H LEU 98 -4.750 3.556 2.890 773 HA LEU 98 HA LEU 98 -2.438 2.793 4.298 774 HB2 LEU 98 2HB LEU 98 -3.051 5.374 2.868 775 HB3 LEU 98 1HB LEU 98 -1.457 4.876 3.401 776 HG LEU 98 HG LEU 98 -3.125 3.418 1.359 777 HD11 LEU 98 1HD1 LEU 98 -2.339 5.642 0.625 778 HD12 LEU 98 2HD1 LEU 98 -1.629 4.307 -0.280 779 HD13 LEU 98 3HD1 LEU 98 -0.686 5.127 0.966 780 HD21 LEU 98 1HD2 LEU 98 -1.018 2.213 0.916 781 HD22 LEU 98 2HD2 LEU 98 -1.648 1.916 2.534 782 HD23 LEU 98 3HD2 LEU 98 -0.291 3.018 2.306 783 H GLN 99 H GLN 99 -4.832 5.282 4.903 784 HA GLN 99 HA GLN 99 -3.461 6.684 6.932 785 HB2 GLN 99 2HB GLN 99 -6.455 6.284 6.804 786 HB3 GLN 99 1HB GLN 99 -5.585 7.645 7.492 787 HG2 GLN 99 2HG GLN 99 -5.772 6.941 4.572 788 HG3 GLN 99 1HG GLN 99 -6.619 8.249 5.393 789 HE21 GLN 99 1HE2 GLN 99 -4.722 8.247 3.152 790 HE22 GLN 99 2HE2 GLN 99 -3.457 9.334 3.615 791 H LYS 100 H LYS 100 -5.689 3.968 6.963 792 HA LYS 100 HA LYS 100 -5.821 3.593 9.749 793 HB2 LYS 100 2HB LYS 100 -6.186 1.578 7.529 794 HB3 LYS 100 1HB LYS 100 -6.696 1.364 9.197 795 HG2 LYS 100 2HG LYS 100 -8.270 3.194 8.971 796 HG3 LYS 100 1HG LYS 100 -7.731 3.472 7.314 797 HD2 LYS 100 2HD LYS 100 -8.501 1.257 6.674 798 HD3 LYS 100 1HD LYS 100 -8.981 0.925 8.340 799 HE2 LYS 100 2HE LYS 100 -10.118 3.075 6.557 800 HE3 LYS 100 1HE LYS 100 -10.903 1.552 6.968 801 HZ1 LYS 100 1HZ LYS 100 -10.208 3.739 8.850 802 HZ2 LYS 100 2HZ LYS 100 -10.855 2.248 9.309 803 HZ3 LYS 100 3HZ LYS 100 -11.760 3.297 8.342 804 H ILE 101 H ILE 101 -3.692 2.269 7.259 805 HA ILE 101 HA ILE 101 -2.421 0.324 8.824 806 HB ILE 101 HB ILE 101 -1.335 1.866 6.453 807 HG12 ILE 101 2HG1 ILE 101 -2.549 -0.902 6.661 808 HG13 ILE 101 1HG1 ILE 101 -3.354 0.517 6.003 809 HG21 ILE 101 1HG2 ILE 101 0.512 0.948 7.752 810 HG22 ILE 101 2HG2 ILE 101 0.323 0.064 6.238 811 HG23 ILE 101 3HG2 ILE 101 -0.256 -0.640 7.747 812 HD11 ILE 101 1HD1 ILE 101 -2.541 -0.923 4.234 813 HD12 ILE 101 2HD1 ILE 101 -0.901 -0.815 4.873 814 HD13 ILE 101 3HD1 ILE 101 -1.687 0.619 4.213 815 H ARG 102 H ARG 102 -1.594 3.738 8.302 816 HA ARG 102 HA ARG 102 0.822 3.706 9.757 817 HB2 ARG 102 2HB ARG 102 -1.092 6.014 9.382 818 HB3 ARG 102 1HB ARG 102 0.578 6.148 9.911 819 HG2 ARG 102 2HG ARG 102 1.240 5.127 7.711 820 HG3 ARG 102 1HG ARG 102 -0.442 5.308 7.211 821 HD2 ARG 102 2HD ARG 102 1.452 7.505 8.039 822 HD3 ARG 102 1HD ARG 102 0.848 7.191 6.415 823 HE ARG 102 HE ARG 102 -1.353 7.608 8.093 824 HH11 ARG 102 1HH1 ARG 102 1.380 9.428 6.827 825 HH12 ARG 102 2HH1 ARG 102 0.548 10.943 6.863 826 HH21 ARG 102 1HH2 ARG 102 -2.458 9.644 8.128 827 HH22 ARG 102 2HH2 ARG 102 -1.625 11.066 7.602 828 H GLU 103 H GLU 103 -2.513 4.237 10.741 829 HA GLU 103 HA GLU 103 -1.894 4.918 13.433 830 HB2 GLU 103 2HB GLU 103 -4.455 3.999 12.139 831 HB3 GLU 103 1HB GLU 103 -4.334 4.529 13.812 832 HG2 GLU 103 2HG GLU 103 -3.565 6.720 13.055 833 HG3 GLU 103 1HG GLU 103 -3.709 6.184 11.382 834 H LEU 104 H LEU 104 -2.893 1.927 11.834 835 HA LEU 104 HA LEU 104 -3.157 0.366 14.167 836 HB2 LEU 104 2HB LEU 104 -2.523 -0.462 11.339 837 HB3 LEU 104 1HB LEU 104 -2.907 -1.583 12.627 838 HG LEU 104 HG LEU 104 -4.761 0.525 11.517 839 HD11 LEU 104 1HD1 LEU 104 -6.024 -1.370 10.638 840 HD12 LEU 104 2HD1 LEU 104 -4.783 -2.473 11.231 841 HD13 LEU 104 3HD1 LEU 104 -4.396 -1.308 9.965 842 HD21 LEU 104 1HD2 LEU 104 -6.472 -0.575 12.906 843 HD22 LEU 104 2HD2 LEU 104 -5.195 0.154 13.876 844 HD23 LEU 104 3HD2 LEU 104 -5.219 -1.591 13.620 845 H ALA 105 H ALA 105 -0.391 1.284 12.289 846 HA ALA 105 HA ALA 105 1.415 -0.679 13.234 847 HB1 ALA 105 1HB ALA 105 1.795 0.641 11.201 848 HB2 ALA 105 2HB ALA 105 3.153 0.741 12.322 849 HB3 ALA 105 3HB ALA 105 2.017 2.084 12.191 850 H GLU 106 H GLU 106 0.036 2.022 14.770 851 HA GLU 106 HA GLU 106 2.232 2.343 16.657 852 HB2 GLU 106 2HB GLU 106 -0.449 3.733 16.597 853 HB3 GLU 106 1HB GLU 106 0.933 4.176 17.588 854 HG2 GLU 106 2HG GLU 106 2.206 4.655 15.529 855 HG3 GLU 106 1HG GLU 106 0.758 4.305 14.588 856 H LYS 107 H LYS 107 -0.237 0.239 16.284 857 HA LYS 107 HA LYS 107 -0.935 0.069 19.115 858 HB2 LYS 107 2HB LYS 107 -2.754 -0.063 17.460 859 HB3 LYS 107 1HB LYS 107 -1.993 -1.473 16.738 860 HG2 LYS 107 2HG LYS 107 -2.321 -2.710 18.834 861 HG3 LYS 107 1HG LYS 107 -3.117 -1.296 19.530 862 HD2 LYS 107 2HD LYS 107 -4.811 -1.407 17.737 863 HD3 LYS 107 1HD LYS 107 -4.032 -2.864 17.119 864 HE2 LYS 107 2HE LYS 107 -5.231 -2.550 19.871 865 HE3 LYS 107 1HE LYS 107 -6.000 -3.365 18.511 866 HZ1 LYS 107 1HZ LYS 107 -3.522 -4.188 19.921 867 HZ2 LYS 107 2HZ LYS 107 -4.066 -4.908 18.494 868 HZ3 LYS 107 3HZ LYS 107 -5.002 -4.995 19.895 869 H LYS 108 H LYS 108 0.334 -1.107 20.362 870 HA LYS 108 HA LYS 108 2.048 -3.141 19.255 871 HB2 LYS 108 2HB LYS 108 2.835 -1.641 21.067 872 HB3 LYS 108 1HB LYS 108 1.623 -2.324 22.140 873 HG2 LYS 108 2HG LYS 108 2.701 -4.537 21.900 874 HG3 LYS 108 1HG LYS 108 3.950 -3.790 20.905 875 HD2 LYS 108 2HD LYS 108 3.327 -3.100 23.779 876 HD3 LYS 108 1HD LYS 108 4.693 -4.067 23.225 877 HE2 LYS 108 2HE LYS 108 5.477 -2.105 21.917 878 HE3 LYS 108 1HE LYS 108 4.155 -1.168 22.612 879 HZ1 LYS 108 1HZ LYS 108 6.332 -2.458 24.161 880 HZ2 LYS 108 2HZ LYS 108 5.081 -1.520 24.798 881 HZ3 LYS 108 3HZ LYS 108 6.236 -0.812 23.790 882 H ASN 109 H ASN 109 0.851 -4.823 18.587 883 HA ASN 109 HA ASN 109 -1.294 -5.913 20.156 884 HB2 ASN 109 2HB ASN 109 0.088 -7.008 17.688 885 HB3 ASN 109 1HB ASN 109 -1.368 -7.679 18.410 886 HD21 ASN 109 1HD2 ASN 109 -0.034 -5.131 16.496 887 HD22 ASN 109 2HD2 ASN 109 -1.537 -4.435 16.004 Start of MODEL 12 1 H1 SER 1 1HT SER 1 6.453 8.225 16.596 2 H2 SER 1 2HT SER 1 6.522 9.602 17.581 3 H3 SER 1 3HT SER 1 5.157 9.315 16.625 4 HA SER 1 HA SER 1 4.780 8.824 18.957 5 HB2 SER 1 2HB SER 1 4.755 6.357 17.205 6 HB3 SER 1 1HB SER 1 3.680 6.711 18.558 7 HG SER 1 HG SER 1 2.848 7.131 16.364 8 H GLU 2 H GLU 2 6.678 6.183 17.548 9 HA GLU 2 HA GLU 2 8.763 6.132 19.380 10 HB2 GLU 2 2HB GLU 2 7.037 5.532 21.050 11 HB3 GLU 2 1HB GLU 2 6.536 4.180 20.045 12 HG2 GLU 2 2HG GLU 2 8.653 3.089 20.367 13 HG3 GLU 2 1HG GLU 2 9.280 4.484 21.241 14 H PHE 3 H PHE 3 6.481 4.079 17.662 15 HA PHE 3 HA PHE 3 8.597 2.425 16.603 16 HB2 PHE 3 2HB PHE 3 5.629 2.376 15.998 17 HB3 PHE 3 1HB PHE 3 6.799 1.120 15.601 18 HD1 PHE 3 1HD PHE 3 4.546 2.392 18.068 19 HD2 PHE 3 2HD PHE 3 7.976 -0.063 17.502 20 HE1 PHE 3 1HE PHE 3 4.154 1.345 20.258 21 HE2 PHE 3 2HE PHE 3 7.587 -1.116 19.689 22 HZ PHE 3 HZ PHE 3 5.676 -0.411 21.068 23 H GLU 4 H GLU 4 9.473 4.501 15.738 24 HA GLU 4 HA GLU 4 8.166 5.863 13.647 25 HB2 GLU 4 2HB GLU 4 11.106 5.870 14.300 26 HB3 GLU 4 1HB GLU 4 10.232 7.079 13.370 27 HG2 GLU 4 2HG GLU 4 9.909 6.470 16.303 28 HG3 GLU 4 1HG GLU 4 10.622 7.913 15.587 29 H LYS 5 H LYS 5 9.976 2.937 13.661 30 HA LYS 5 HA LYS 5 10.935 2.994 10.998 31 HB2 LYS 5 2HB LYS 5 10.023 0.550 12.537 32 HB3 LYS 5 1HB LYS 5 11.103 0.575 11.157 33 HG2 LYS 5 2HG LYS 5 12.767 1.791 12.500 34 HG3 LYS 5 1HG LYS 5 11.686 1.697 13.892 35 HD2 LYS 5 2HD LYS 5 11.719 -0.812 13.601 36 HD3 LYS 5 1HD LYS 5 13.009 -0.581 12.424 37 HE2 LYS 5 2HE LYS 5 13.987 -1.112 14.560 38 HE3 LYS 5 1HE LYS 5 14.335 0.573 14.176 39 HZ1 LYS 5 1HZ LYS 5 12.598 1.269 15.666 40 HZ2 LYS 5 2HZ LYS 5 13.629 0.220 16.500 41 HZ3 LYS 5 3HZ LYS 5 12.137 -0.333 15.953 42 H LEU 6 H LEU 6 7.908 1.947 12.463 43 HA LEU 6 HA LEU 6 6.693 1.092 10.027 44 HB2 LEU 6 2HB LEU 6 5.446 1.898 12.659 45 HB3 LEU 6 1HB LEU 6 4.604 1.095 11.348 46 HG LEU 6 HG LEU 6 6.908 -0.098 12.896 47 HD11 LEU 6 1HD1 LEU 6 3.950 -0.638 13.085 48 HD12 LEU 6 2HD1 LEU 6 4.938 0.173 14.300 49 HD13 LEU 6 3HD1 LEU 6 5.220 -1.527 13.925 50 HD21 LEU 6 1HD2 LEU 6 6.754 -0.967 10.632 51 HD22 LEU 6 2HD2 LEU 6 5.034 -1.285 10.850 52 HD23 LEU 6 3HD2 LEU 6 6.223 -2.185 11.791 53 H ARG 7 H ARG 7 6.812 4.068 11.858 54 HA ARG 7 HA ARG 7 4.796 5.504 10.518 55 HB2 ARG 7 2HB ARG 7 7.315 6.526 11.844 56 HB3 ARG 7 1HB ARG 7 5.948 7.522 11.377 57 HG2 ARG 7 2HG ARG 7 5.786 5.264 13.362 58 HG3 ARG 7 1HG ARG 7 6.032 6.956 13.795 59 HD2 ARG 7 2HD ARG 7 3.660 5.839 12.304 60 HD3 ARG 7 1HD ARG 7 3.685 6.305 14.004 61 HE ARG 7 HE ARG 7 4.377 8.342 12.035 62 HH11 ARG 7 1HH1 ARG 7 2.021 7.054 14.305 63 HH12 ARG 7 2HH1 ARG 7 1.049 8.488 14.287 64 HH21 ARG 7 1HH2 ARG 7 3.098 10.233 12.039 65 HH22 ARG 7 2HH2 ARG 7 1.663 10.299 13.004 66 H GLN 8 H GLN 8 8.285 5.267 9.934 67 HA GLN 8 HA GLN 8 8.251 7.025 7.708 68 HB2 GLN 8 2HB GLN 8 10.287 6.622 8.998 69 HB3 GLN 8 1HB GLN 8 10.305 4.946 8.465 70 HG2 GLN 8 2HG GLN 8 11.884 6.322 7.214 71 HG3 GLN 8 1HG GLN 8 10.631 5.647 6.174 72 HE21 GLN 8 1HE2 GLN 8 10.826 7.186 4.606 73 HE22 GLN 8 2HE2 GLN 8 10.338 8.827 4.824 74 H THR 9 H THR 9 8.103 3.495 8.009 75 HA THR 9 HA THR 9 8.272 2.904 5.274 76 HB THR 9 HB THR 9 6.738 1.378 7.401 77 HG1 THR 9 1HG THR 9 8.824 1.433 8.090 78 HG21 THR 9 1HG2 THR 9 7.887 0.479 4.748 79 HG22 THR 9 2HG2 THR 9 6.173 0.662 5.120 80 HG23 THR 9 3HG2 THR 9 7.129 -0.572 5.944 81 H GLY 10 H GLY 10 5.512 3.702 7.339 82 HA2 GLY 10 2HA GLY 10 3.506 3.376 5.384 83 HA3 GLY 10 1HA GLY 10 3.389 4.389 6.820 84 H ASP 11 H ASP 11 5.530 6.119 6.300 85 HA ASP 11 HA ASP 11 4.291 8.050 4.670 86 HB2 ASP 11 2HB ASP 11 5.870 8.597 6.505 87 HB3 ASP 11 1HB ASP 11 7.189 7.958 5.528 88 H GLU 12 H GLU 12 6.972 5.824 4.073 89 HA GLU 12 HA GLU 12 7.715 6.751 1.537 90 HB2 GLU 12 2HB GLU 12 7.829 3.962 2.711 91 HB3 GLU 12 1HB GLU 12 8.559 4.396 1.174 92 HG2 GLU 12 2HG GLU 12 10.041 5.960 2.290 93 HG3 GLU 12 1HG GLU 12 9.271 5.614 3.836 94 H LEU 13 H LEU 13 5.286 4.392 2.531 95 HA LEU 13 HA LEU 13 4.435 3.628 -0.037 96 HB2 LEU 13 2HB LEU 13 2.947 3.713 2.587 97 HB3 LEU 13 1HB LEU 13 2.305 2.988 1.129 98 HG LEU 13 HG LEU 13 4.817 2.066 2.528 99 HD11 LEU 13 1HD1 LEU 13 2.849 1.685 3.916 100 HD12 LEU 13 2HD1 LEU 13 3.470 0.165 3.271 101 HD13 LEU 13 3HD1 LEU 13 2.034 0.903 2.561 102 HD21 LEU 13 1HD2 LEU 13 4.794 1.579 0.139 103 HD22 LEU 13 2HD2 LEU 13 3.195 0.850 0.293 104 HD23 LEU 13 3HD2 LEU 13 4.584 0.103 1.082 105 H VAL 14 H VAL 14 3.234 6.129 2.181 106 HA VAL 14 HA VAL 14 1.094 7.007 0.612 107 HB VAL 14 HB VAL 14 2.742 8.598 2.591 108 HG11 VAL 14 1HG1 VAL 14 -0.001 9.175 1.468 109 HG12 VAL 14 2HG1 VAL 14 1.475 10.064 1.090 110 HG13 VAL 14 3HG1 VAL 14 0.819 10.101 2.726 111 HG21 VAL 14 1HG2 VAL 14 0.142 7.100 2.917 112 HG22 VAL 14 2HG2 VAL 14 0.930 8.076 4.157 113 HG23 VAL 14 3HG2 VAL 14 1.709 6.610 3.561 114 H GLN 15 H GLN 15 4.468 8.127 0.680 115 HA GLN 15 HA GLN 15 4.144 10.290 -1.089 116 HB2 GLN 15 2HB GLN 15 6.603 8.574 -0.698 117 HB3 GLN 15 1HB GLN 15 6.567 10.174 -1.423 118 HG2 GLN 15 2HG GLN 15 5.900 9.498 1.432 119 HG3 GLN 15 1HG GLN 15 7.377 10.263 0.857 120 HE21 GLN 15 1HE2 GLN 15 7.328 12.401 0.226 121 HE22 GLN 15 2HE2 GLN 15 6.013 13.452 0.612 122 H ALA 16 H ALA 16 4.983 6.905 -1.675 123 HA ALA 16 HA ALA 16 5.351 7.158 -4.463 124 HB1 ALA 16 1HB ALA 16 4.553 4.718 -2.877 125 HB2 ALA 16 2HB ALA 16 6.206 5.260 -3.168 126 HB3 ALA 16 3HB ALA 16 5.203 4.727 -4.518 127 H PHE 17 H PHE 17 2.547 6.264 -2.495 128 HA PHE 17 HA PHE 17 0.830 5.704 -4.646 129 HB2 PHE 17 2HB PHE 17 0.317 6.377 -1.767 130 HB3 PHE 17 1HB PHE 17 -1.015 6.173 -2.902 131 HD1 PHE 17 1HD PHE 17 0.648 4.521 -0.447 132 HD2 PHE 17 2HD PHE 17 -0.484 3.974 -4.505 133 HE1 PHE 17 1HE PHE 17 0.756 2.080 -0.148 134 HE2 PHE 17 2HE PHE 17 -0.385 1.539 -4.210 135 HZ PHE 17 HZ PHE 17 0.237 0.588 -2.029 136 H GLN 18 H GLN 18 1.523 8.745 -2.980 137 HA GLN 18 HA GLN 18 -0.529 10.279 -4.135 138 HB2 GLN 18 2HB GLN 18 2.247 11.037 -3.226 139 HB3 GLN 18 1HB GLN 18 1.047 12.208 -3.745 140 HG2 GLN 18 2HG GLN 18 -0.390 11.642 -1.925 141 HG3 GLN 18 1HG GLN 18 0.643 10.287 -1.471 142 HE21 GLN 18 1HE2 GLN 18 -0.207 12.622 0.067 143 HE22 GLN 18 2HE2 GLN 18 1.253 13.383 0.601 144 H ARG 19 H ARG 19 2.774 9.596 -5.230 145 HA ARG 19 HA ARG 19 2.558 11.110 -7.627 146 HB2 ARG 19 2HB ARG 19 4.442 8.847 -6.940 147 HB3 ARG 19 1HB ARG 19 4.614 9.933 -8.312 148 HG2 ARG 19 2HG ARG 19 4.837 11.827 -6.759 149 HG3 ARG 19 1HG ARG 19 4.725 10.703 -5.403 150 HD2 ARG 19 2HD ARG 19 6.854 10.741 -7.539 151 HD3 ARG 19 1HD ARG 19 7.046 11.258 -5.866 152 HE ARG 19 HE ARG 19 6.683 8.490 -6.797 153 HH11 ARG 19 1HH1 ARG 19 7.519 10.737 -4.234 154 HH12 ARG 19 2HH1 ARG 19 8.247 9.529 -3.236 155 HH21 ARG 19 1HH2 ARG 19 7.654 6.885 -5.468 156 HH22 ARG 19 2HH2 ARG 19 8.324 7.340 -3.935 157 H LEU 20 H LEU 20 1.909 7.795 -6.741 158 HA LEU 20 HA LEU 20 1.633 6.644 -9.274 159 HB2 LEU 20 2HB LEU 20 1.711 5.429 -7.092 160 HB3 LEU 20 1HB LEU 20 0.075 5.970 -6.777 161 HG LEU 20 HG LEU 20 -0.574 4.758 -8.926 162 HD11 LEU 20 1HD1 LEU 20 2.125 3.502 -8.476 163 HD12 LEU 20 2HD1 LEU 20 1.659 4.513 -9.844 164 HD13 LEU 20 3HD1 LEU 20 0.897 2.940 -9.610 165 HD21 LEU 20 1HD2 LEU 20 -1.146 3.931 -6.709 166 HD22 LEU 20 2HD2 LEU 20 0.434 3.160 -6.575 167 HD23 LEU 20 3HD2 LEU 20 -0.721 2.599 -7.783 168 H ARG 21 H ARG 21 -0.635 8.421 -7.261 169 HA ARG 21 HA ARG 21 -3.006 7.974 -8.682 170 HB2 ARG 21 2HB ARG 21 -2.579 9.180 -6.412 171 HB3 ARG 21 1HB ARG 21 -2.320 10.614 -7.385 172 HG2 ARG 21 2HG ARG 21 -4.867 8.994 -7.326 173 HG3 ARG 21 1HG ARG 21 -4.588 10.480 -6.430 174 HD2 ARG 21 2HD ARG 21 -4.241 11.663 -8.585 175 HD3 ARG 21 1HD ARG 21 -4.637 10.170 -9.434 176 HE ARG 21 HE ARG 21 -6.508 11.672 -7.716 177 HH11 ARG 21 1HH1 ARG 21 -5.907 9.572 -10.482 178 HH12 ARG 21 2HH1 ARG 21 -7.575 9.507 -10.946 179 HH21 ARG 21 1HH2 ARG 21 -8.695 11.609 -8.365 180 HH22 ARG 21 2HH2 ARG 21 -9.155 10.683 -9.765 181 H GLU 22 H GLU 22 -0.523 10.475 -9.044 182 HA GLU 22 HA GLU 22 -1.810 11.828 -11.179 183 HB2 GLU 22 2HB GLU 22 1.058 11.868 -10.259 184 HB3 GLU 22 1HB GLU 22 0.386 12.949 -11.473 185 HG2 GLU 22 2HG GLU 22 -1.208 13.787 -9.790 186 HG3 GLU 22 1HG GLU 22 -0.426 12.765 -8.584 187 H ILE 23 H ILE 23 0.823 9.459 -11.054 188 HA ILE 23 HA ILE 23 1.451 9.434 -13.786 189 HB ILE 23 HB ILE 23 1.618 7.171 -11.784 190 HG12 ILE 23 2HG1 ILE 23 3.742 9.111 -12.715 191 HG13 ILE 23 1HG1 ILE 23 2.878 9.228 -11.185 192 HG21 ILE 23 1HG2 ILE 23 2.959 7.486 -14.464 193 HG22 ILE 23 2HG2 ILE 23 1.698 6.323 -14.059 194 HG23 ILE 23 3HG2 ILE 23 3.286 6.201 -13.300 195 HD11 ILE 23 1HD1 ILE 23 5.074 8.248 -10.885 196 HD12 ILE 23 2HD1 ILE 23 4.673 6.968 -12.032 197 HD13 ILE 23 3HD1 ILE 23 3.808 7.083 -10.499 198 H PHE 24 H PHE 24 -0.838 7.496 -11.922 199 HA PHE 24 HA PHE 24 -1.744 5.912 -14.053 200 HB2 PHE 24 2HB PHE 24 -2.296 5.073 -11.948 201 HB3 PHE 24 1HB PHE 24 -2.873 6.633 -11.366 202 HD1 PHE 24 1HD PHE 24 -3.663 3.894 -13.736 203 HD2 PHE 24 2HD PHE 24 -5.120 7.179 -11.463 204 HE1 PHE 24 1HE PHE 24 -5.962 3.295 -14.344 205 HE2 PHE 24 2HE PHE 24 -7.422 6.584 -12.062 206 HZ PHE 24 HZ PHE 24 -7.848 4.649 -13.504 207 H ASP 25 H ASP 25 -2.955 8.973 -12.717 208 HA ASP 25 HA ASP 25 -5.268 9.084 -14.322 209 HB2 ASP 25 2HB ASP 25 -4.980 10.432 -12.275 210 HB3 ASP 25 1HB ASP 25 -3.759 11.400 -13.097 211 H LYS 26 H LYS 26 -1.972 10.112 -14.903 212 HA LYS 26 HA LYS 26 -2.633 11.500 -17.336 213 HB2 LYS 26 2HB LYS 26 0.051 10.569 -16.291 214 HB3 LYS 26 1HB LYS 26 -0.182 11.615 -17.682 215 HG2 LYS 26 2HG LYS 26 -0.889 12.258 -14.823 216 HG3 LYS 26 1HG LYS 26 0.458 12.920 -15.748 217 HD2 LYS 26 2HD LYS 26 -1.103 13.982 -17.289 218 HD3 LYS 26 1HD LYS 26 -2.465 13.276 -16.419 219 HE2 LYS 26 2HE LYS 26 -2.218 15.562 -15.727 220 HE3 LYS 26 1HE LYS 26 -1.746 14.514 -14.392 221 HZ1 LYS 26 1HZ LYS 26 -0.237 16.387 -14.710 222 HZ2 LYS 26 2HZ LYS 26 0.141 15.844 -16.260 223 HZ3 LYS 26 3HZ LYS 26 0.561 14.913 -14.910 224 H GLY 27 H GLY 27 -2.446 8.287 -16.493 225 HA2 GLY 27 2HA GLY 27 -2.734 6.397 -17.763 226 HA3 GLY 27 1HA GLY 27 -2.824 7.427 -19.182 227 H ASP 28 H ASP 28 -0.077 7.521 -17.050 228 HA ASP 28 HA ASP 28 1.565 6.623 -19.284 229 HB2 ASP 28 2HB ASP 28 2.095 8.729 -17.961 230 HB3 ASP 28 1HB ASP 28 2.555 7.668 -16.634 231 H ASP 29 H ASP 29 1.273 4.433 -19.303 232 HA ASP 29 HA ASP 29 1.430 2.814 -16.976 233 HB2 ASP 29 2HB ASP 29 1.446 0.900 -18.504 234 HB3 ASP 29 1HB ASP 29 0.213 2.064 -18.970 235 H ASP 30 H ASP 30 3.762 4.100 -19.154 236 HA ASP 30 HA ASP 30 5.886 2.321 -18.822 237 HB2 ASP 30 2HB ASP 30 6.057 3.982 -20.522 238 HB3 ASP 30 1HB ASP 30 5.802 5.287 -19.373 239 H SER 31 H SER 31 5.184 5.309 -17.019 240 HA SER 31 HA SER 31 7.192 4.789 -15.053 241 HB2 SER 31 2HB SER 31 4.824 6.647 -14.793 242 HB3 SER 31 1HB SER 31 6.363 6.745 -13.940 243 HG SER 31 HG SER 31 5.868 7.150 -16.706 244 H LEU 32 H LEU 32 3.777 4.092 -15.379 245 HA LEU 32 HA LEU 32 3.064 3.722 -12.697 246 HB2 LEU 32 2HB LEU 32 1.505 3.966 -14.608 247 HB3 LEU 32 1HB LEU 32 1.935 2.352 -15.130 248 HG LEU 32 HG LEU 32 1.036 1.520 -12.915 249 HD11 LEU 32 1HD1 LEU 32 1.086 3.633 -11.718 250 HD12 LEU 32 2HD1 LEU 32 -0.547 2.969 -11.761 251 HD13 LEU 32 3HD1 LEU 32 -0.107 4.303 -12.828 252 HD21 LEU 32 1HD2 LEU 32 -0.184 1.272 -15.011 253 HD22 LEU 32 2HD2 LEU 32 -0.868 2.886 -14.816 254 HD23 LEU 32 3HD2 LEU 32 -1.288 1.608 -13.677 255 H GLU 33 H GLU 33 4.123 1.318 -15.105 256 HA GLU 33 HA GLU 33 3.781 -0.956 -13.523 257 HB2 GLU 33 2HB GLU 33 5.713 -0.416 -15.772 258 HB3 GLU 33 1HB GLU 33 5.485 -2.002 -15.047 259 HG2 GLU 33 2HG GLU 33 3.359 -0.379 -16.427 260 HG3 GLU 33 1HG GLU 33 4.220 -1.755 -17.115 261 H GLN 34 H GLN 34 6.582 1.143 -13.869 262 HA GLN 34 HA GLN 34 8.287 -0.447 -12.262 263 HB2 GLN 34 2HB GLN 34 8.505 2.474 -12.981 264 HB3 GLN 34 1HB GLN 34 9.787 1.494 -12.278 265 HG2 GLN 34 2HG GLN 34 8.506 1.118 -14.975 266 HG3 GLN 34 1HG GLN 34 10.135 1.705 -14.645 267 HE21 GLN 34 1HE2 GLN 34 9.143 -0.642 -16.168 268 HE22 GLN 34 2HE2 GLN 34 9.966 -1.998 -15.485 269 H VAL 35 H VAL 35 6.205 2.317 -11.571 270 HA VAL 35 HA VAL 35 7.113 2.724 -8.929 271 HB VAL 35 HB VAL 35 4.448 3.456 -10.163 272 HG11 VAL 35 1HG1 VAL 35 4.246 5.071 -8.323 273 HG12 VAL 35 2HG1 VAL 35 5.723 4.430 -7.603 274 HG13 VAL 35 3HG1 VAL 35 4.290 3.412 -7.725 275 HG21 VAL 35 1HG2 VAL 35 6.319 4.486 -11.299 276 HG22 VAL 35 2HG2 VAL 35 6.988 5.027 -9.760 277 HG23 VAL 35 3HG2 VAL 35 5.464 5.696 -10.342 278 H LEU 36 H LEU 36 4.598 0.649 -10.279 279 HA LEU 36 HA LEU 36 3.346 -0.089 -7.880 280 HB2 LEU 36 2HB LEU 36 3.770 -1.727 -10.383 281 HB3 LEU 36 1HB LEU 36 2.675 -2.157 -9.087 282 HG LEU 36 HG LEU 36 2.429 0.290 -10.840 283 HD11 LEU 36 1HD1 LEU 36 0.490 -0.855 -11.788 284 HD12 LEU 36 2HD1 LEU 36 0.854 -2.277 -10.809 285 HD13 LEU 36 3HD1 LEU 36 1.978 -1.758 -12.065 286 HD21 LEU 36 1HD2 LEU 36 0.596 -0.816 -8.712 287 HD22 LEU 36 2HD2 LEU 36 0.221 0.528 -9.789 288 HD23 LEU 36 3HD2 LEU 36 1.527 0.679 -8.614 289 H GLU 37 H GLU 37 6.178 -1.395 -9.511 290 HA GLU 37 HA GLU 37 6.647 -3.492 -7.656 291 HB2 GLU 37 2HB GLU 37 7.581 -3.582 -9.887 292 HB3 GLU 37 1HB GLU 37 8.491 -2.107 -9.605 293 HG2 GLU 37 2HG GLU 37 9.842 -3.231 -7.940 294 HG3 GLU 37 1HG GLU 37 8.899 -4.706 -8.147 295 H GLU 38 H GLU 38 7.761 -0.158 -7.932 296 HA GLU 38 HA GLU 38 9.664 -0.179 -5.877 297 HB2 GLU 38 2HB GLU 38 8.019 1.936 -7.190 298 HB3 GLU 38 1HB GLU 38 8.908 2.341 -5.732 299 HG2 GLU 38 2HG GLU 38 10.186 1.104 -8.149 300 HG3 GLU 38 1HG GLU 38 10.067 2.845 -7.889 301 H ILE 39 H ILE 39 6.214 0.519 -5.829 302 HA ILE 39 HA ILE 39 5.985 1.129 -3.108 303 HB ILE 39 HB ILE 39 3.954 -0.135 -4.967 304 HG12 ILE 39 2HG1 ILE 39 4.284 2.744 -4.098 305 HG13 ILE 39 1HG1 ILE 39 4.832 2.099 -5.641 306 HG21 ILE 39 1HG2 ILE 39 2.264 0.652 -3.370 307 HG22 ILE 39 2HG2 ILE 39 3.547 1.180 -2.282 308 HG23 ILE 39 3HG2 ILE 39 3.348 -0.534 -2.644 309 HD11 ILE 39 1HD1 ILE 39 2.530 1.565 -6.236 310 HD12 ILE 39 2HD1 ILE 39 2.722 3.278 -5.864 311 HD13 ILE 39 3HD1 ILE 39 1.982 2.198 -4.683 312 H GLU 40 H GLU 40 5.984 -1.934 -4.841 313 HA GLU 40 HA GLU 40 5.096 -3.570 -2.734 314 HB2 GLU 40 2HB GLU 40 5.240 -4.248 -5.139 315 HB3 GLU 40 1HB GLU 40 6.984 -4.372 -4.944 316 HG2 GLU 40 2HG GLU 40 6.522 -6.007 -3.077 317 HG3 GLU 40 1HG GLU 40 4.854 -6.016 -3.628 318 H GLU 41 H GLU 41 8.338 -2.572 -3.728 319 HA GLU 41 HA GLU 41 9.829 -4.113 -1.955 320 HB2 GLU 41 2HB GLU 41 10.350 -1.372 -3.089 321 HB3 GLU 41 1HB GLU 41 11.550 -2.331 -2.242 322 HG2 GLU 41 2HG GLU 41 10.142 -3.181 -4.758 323 HG3 GLU 41 1HG GLU 41 11.746 -2.448 -4.696 324 H LEU 42 H LEU 42 8.244 -1.013 -1.551 325 HA LEU 42 HA LEU 42 9.231 -0.444 1.042 326 HB2 LEU 42 2HB LEU 42 6.614 0.444 -0.167 327 HB3 LEU 42 1HB LEU 42 7.493 1.228 1.132 328 HG LEU 42 HG LEU 42 8.422 1.027 -1.733 329 HD11 LEU 42 1HD1 LEU 42 7.308 3.358 -0.189 330 HD12 LEU 42 2HD1 LEU 42 6.521 2.508 -1.518 331 HD13 LEU 42 3HD1 LEU 42 7.993 3.432 -1.812 332 HD21 LEU 42 1HD2 LEU 42 10.155 2.623 -1.034 333 HD22 LEU 42 2HD2 LEU 42 10.295 1.080 -0.194 334 HD23 LEU 42 3HD2 LEU 42 9.604 2.476 0.635 335 H ILE 43 H ILE 43 6.401 -2.121 -0.197 336 HA ILE 43 HA ILE 43 5.037 -2.566 2.216 337 HB ILE 43 HB ILE 43 5.083 -4.274 -0.287 338 HG12 ILE 43 2HG1 ILE 43 3.097 -2.179 0.613 339 HG13 ILE 43 1HG1 ILE 43 4.351 -1.917 -0.594 340 HG21 ILE 43 1HG2 ILE 43 2.945 -5.187 0.502 341 HG22 ILE 43 2HG2 ILE 43 3.103 -4.263 1.995 342 HG23 ILE 43 3HG2 ILE 43 4.253 -5.548 1.630 343 HD11 ILE 43 1HD1 ILE 43 2.075 -3.868 -0.797 344 HD12 ILE 43 2HD1 ILE 43 3.325 -3.624 -2.013 345 HD13 ILE 43 3HD1 ILE 43 2.201 -2.320 -1.631 346 H GLN 44 H GLN 44 7.679 -4.325 0.662 347 HA GLN 44 HA GLN 44 7.644 -6.615 2.287 348 HB2 GLN 44 2HB GLN 44 9.651 -5.335 0.526 349 HB3 GLN 44 1HB GLN 44 10.289 -6.414 1.756 350 HG2 GLN 44 2HG GLN 44 10.004 -7.725 -0.171 351 HG3 GLN 44 1HG GLN 44 8.673 -8.152 0.898 352 HE21 GLN 44 1HE2 GLN 44 9.603 -6.667 -2.077 353 HE22 GLN 44 2HE2 GLN 44 8.018 -6.502 -2.729 354 H LYS 45 H LYS 45 9.063 -3.439 2.798 355 HA LYS 45 HA LYS 45 10.596 -4.029 5.080 356 HB2 LYS 45 2HB LYS 45 9.120 -1.471 4.420 357 HB3 LYS 45 1HB LYS 45 10.385 -1.632 5.624 358 HG2 LYS 45 2HG LYS 45 11.974 -2.216 3.836 359 HG3 LYS 45 1HG LYS 45 10.689 -1.970 2.648 360 HD2 LYS 45 2HD LYS 45 10.466 0.351 3.335 361 HD3 LYS 45 1HD LYS 45 11.685 0.115 4.587 362 HE2 LYS 45 2HE LYS 45 13.308 -0.471 2.788 363 HE3 LYS 45 1HE LYS 45 12.081 -0.027 1.604 364 HZ1 LYS 45 1HZ LYS 45 12.071 2.226 2.476 365 HZ2 LYS 45 2HZ LYS 45 13.651 1.776 2.047 366 HZ3 LYS 45 3HZ LYS 45 13.194 1.789 3.669 367 H HIS 46 H HIS 46 7.230 -3.033 4.694 368 HA HIS 46 HA HIS 46 6.561 -2.821 7.404 369 HB2 HIS 46 2HB HIS 46 5.148 -1.918 5.605 370 HB3 HIS 46 1HB HIS 46 4.775 -3.552 5.070 371 HD1 HIS 46 1HD HIS 46 2.683 -4.564 6.073 372 HD2 HIS 46 2HD HIS 46 4.163 -1.388 8.313 373 HE1 HIS 46 1HE HIS 46 1.011 -4.154 7.916 374 H ARG 47 H ARG 47 6.349 -5.576 5.181 375 HA ARG 47 HA ARG 47 5.059 -7.363 6.929 376 HB2 ARG 47 2HB ARG 47 7.113 -8.174 4.867 377 HB3 ARG 47 1HB ARG 47 5.776 -9.133 5.474 378 HG2 ARG 47 2HG ARG 47 4.211 -7.547 4.375 379 HG3 ARG 47 1HG ARG 47 5.608 -6.721 3.676 380 HD2 ARG 47 2HD ARG 47 6.256 -9.097 2.833 381 HD3 ARG 47 1HD ARG 47 4.560 -9.472 3.126 382 HE ARG 47 HE ARG 47 5.241 -7.182 1.428 383 HH11 ARG 47 1HH1 ARG 47 3.877 -10.396 1.736 384 HH12 ARG 47 2HH1 ARG 47 3.225 -10.423 0.138 385 HH21 ARG 47 1HH2 ARG 47 4.410 -7.226 -0.720 386 HH22 ARG 47 2HH2 ARG 47 3.549 -8.614 -1.279 387 H GLN 48 H GLN 48 8.468 -6.655 6.398 388 HA GLN 48 HA GLN 48 9.478 -8.683 8.100 389 HB2 GLN 48 2HB GLN 48 10.801 -7.658 6.315 390 HB3 GLN 48 1HB GLN 48 10.758 -6.118 7.161 391 HG2 GLN 48 2HG GLN 48 12.011 -7.104 9.012 392 HG3 GLN 48 1HG GLN 48 12.055 -8.643 8.154 393 HE21 GLN 48 1HE2 GLN 48 12.359 -5.559 6.545 394 HE22 GLN 48 2HE2 GLN 48 14.022 -5.734 6.119 395 H LEU 49 H LEU 49 8.843 -5.222 8.586 396 HA LEU 49 HA LEU 49 9.906 -5.115 11.208 397 HB2 LEU 49 2HB LEU 49 7.877 -3.338 9.861 398 HB3 LEU 49 1HB LEU 49 8.654 -2.981 11.389 399 HG LEU 49 HG LEU 49 10.070 -3.251 8.737 400 HD11 LEU 49 1HD1 LEU 49 8.683 -1.263 8.821 401 HD12 LEU 49 2HD1 LEU 49 10.391 -0.834 8.913 402 HD13 LEU 49 3HD1 LEU 49 9.397 -0.811 10.369 403 HD21 LEU 49 1HD2 LEU 49 11.089 -2.432 11.457 404 HD22 LEU 49 2HD2 LEU 49 12.005 -2.339 9.953 405 HD23 LEU 49 3HD2 LEU 49 11.505 -3.908 10.583 406 H PHE 50 H PHE 50 6.689 -5.757 9.951 407 HA PHE 50 HA PHE 50 5.285 -5.660 12.386 408 HB2 PHE 50 2HB PHE 50 4.267 -5.665 10.098 409 HB3 PHE 50 1HB PHE 50 4.676 -7.369 9.963 410 HD1 PHE 50 1HD PHE 50 2.718 -4.960 11.992 411 HD2 PHE 50 2HD PHE 50 3.199 -8.997 10.735 412 HE1 PHE 50 1HE PHE 50 0.560 -5.535 13.024 413 HE2 PHE 50 2HE PHE 50 1.043 -9.578 11.767 414 HZ PHE 50 HZ PHE 50 -0.279 -7.845 12.912 415 H ASP 51 H ASP 51 6.842 -8.334 10.671 416 HA ASP 51 HA ASP 51 6.147 -10.372 12.498 417 HB2 ASP 51 2HB ASP 51 6.829 -11.055 10.338 418 HB3 ASP 51 1HB ASP 51 8.318 -10.122 10.427 419 H ASN 52 H ASN 52 8.934 -8.241 12.283 420 HA ASN 52 HA ASN 52 10.422 -9.540 14.327 421 HB2 ASN 52 2HB ASN 52 10.703 -6.980 12.827 422 HB3 ASN 52 1HB ASN 52 11.635 -7.195 14.305 423 HD21 ASN 52 1HD2 ASN 52 11.076 -8.384 11.074 424 HD22 ASN 52 2HD2 ASN 52 12.549 -9.283 10.944 425 H ARG 53 H ARG 53 8.316 -6.686 14.318 426 HA ARG 53 HA ARG 53 8.874 -5.909 16.960 427 HB2 ARG 53 2HB ARG 53 7.743 -4.412 15.381 428 HB3 ARG 53 1HB ARG 53 6.326 -5.461 15.398 429 HG2 ARG 53 2HG ARG 53 6.225 -5.074 17.885 430 HG3 ARG 53 1HG ARG 53 7.430 -3.814 17.650 431 HD2 ARG 53 2HD ARG 53 5.941 -2.567 16.256 432 HD3 ARG 53 1HD ARG 53 4.771 -3.891 16.242 433 HE ARG 53 HE ARG 53 5.392 -3.000 18.881 434 HH11 ARG 53 1HH1 ARG 53 3.404 -2.273 16.089 435 HH12 ARG 53 2HH1 ARG 53 2.173 -1.501 17.012 436 HH21 ARG 53 1HH2 ARG 53 3.765 -2.004 20.105 437 HH22 ARG 53 2HH2 ARG 53 2.370 -1.355 19.319 438 H GLN 54 H GLN 54 6.531 -8.194 15.663 439 HA GLN 54 HA GLN 54 5.332 -8.563 18.255 440 HB2 GLN 54 2HB GLN 54 4.897 -10.067 15.668 441 HB3 GLN 54 1HB GLN 54 3.969 -10.314 17.142 442 HG2 GLN 54 2HG GLN 54 3.293 -7.915 17.037 443 HG3 GLN 54 1HG GLN 54 4.087 -7.813 15.470 444 HE21 GLN 54 1HE2 GLN 54 3.245 -10.537 14.756 445 HE22 GLN 54 2HE2 GLN 54 1.567 -10.419 14.351 446 H GLU 55 H GLU 55 6.660 -11.066 16.078 447 HA GLU 55 HA GLU 55 8.749 -11.933 17.679 448 HB2 GLU 55 2HB GLU 55 6.710 -12.429 19.224 449 HB3 GLU 55 1HB GLU 55 6.407 -13.771 18.130 450 HG2 GLU 55 2HG GLU 55 7.671 -14.489 20.070 451 HG3 GLU 55 1HG GLU 55 8.626 -14.661 18.595 452 H ALA 56 H ALA 56 6.058 -13.739 16.282 453 HA ALA 56 HA ALA 56 7.647 -14.421 13.950 454 HB1 ALA 56 1HB ALA 56 8.086 -16.243 15.542 455 HB2 ALA 56 2HB ALA 56 7.140 -16.806 14.166 456 HB3 ALA 56 3HB ALA 56 6.352 -16.509 15.715 457 H ALA 57 H ALA 57 6.317 -13.297 12.676 458 HA ALA 57 HA ALA 57 3.507 -14.154 12.552 459 HB1 ALA 57 1HB ALA 57 2.783 -11.860 12.382 460 HB2 ALA 57 2HB ALA 57 4.445 -11.296 12.500 461 HB3 ALA 57 3HB ALA 57 3.685 -12.088 13.879 462 H ASP 58 H ASP 58 5.886 -14.719 10.944 463 HA ASP 58 HA ASP 58 6.012 -13.165 8.624 464 HB2 ASP 58 2HB ASP 58 7.201 -15.043 7.622 465 HB3 ASP 58 1HB ASP 58 7.746 -14.785 9.274 466 H THR 59 H THR 59 3.928 -15.885 9.444 467 HA THR 59 HA THR 59 2.909 -16.211 6.809 468 HB THR 59 HB THR 59 1.684 -17.076 9.433 469 HG1 THR 59 1HG THR 59 3.822 -17.983 7.922 470 HG21 THR 59 1HG2 THR 59 1.263 -18.116 6.621 471 HG22 THR 59 2HG2 THR 59 0.117 -17.120 7.519 472 HG23 THR 59 3HG2 THR 59 0.510 -18.740 8.090 473 H GLU 60 H GLU 60 1.696 -14.488 9.692 474 HA GLU 60 HA GLU 60 -0.676 -13.645 8.341 475 HB2 GLU 60 2HB GLU 60 -1.018 -12.150 10.317 476 HB3 GLU 60 1HB GLU 60 -0.835 -13.851 10.708 477 HG2 GLU 60 2HG GLU 60 1.572 -13.357 11.213 478 HG3 GLU 60 1HG GLU 60 1.162 -11.648 11.065 479 H ALA 61 H ALA 61 2.516 -12.287 8.805 480 HA ALA 61 HA ALA 61 1.938 -9.691 7.840 481 HB1 ALA 61 1HB ALA 61 4.019 -10.226 9.035 482 HB2 ALA 61 2HB ALA 61 4.350 -9.498 7.463 483 HB3 ALA 61 3HB ALA 61 4.531 -11.238 7.684 484 H ALA 62 H ALA 62 2.861 -12.721 6.301 485 HA ALA 62 HA ALA 62 3.068 -11.764 3.670 486 HB1 ALA 62 1HB ALA 62 2.782 -14.097 2.994 487 HB2 ALA 62 2HB ALA 62 2.232 -14.508 4.619 488 HB3 ALA 62 3HB ALA 62 3.892 -13.972 4.359 489 H LYS 63 H LYS 63 0.354 -12.925 5.594 490 HA LYS 63 HA LYS 63 -1.584 -12.846 3.543 491 HB2 LYS 63 2HB LYS 63 -1.757 -12.780 6.538 492 HB3 LYS 63 1HB LYS 63 -3.195 -12.606 5.544 493 HG2 LYS 63 2HG LYS 63 -2.787 -14.768 4.533 494 HG3 LYS 63 1HG LYS 63 -1.298 -14.940 5.465 495 HD2 LYS 63 2HD LYS 63 -2.490 -15.060 7.510 496 HD3 LYS 63 1HD LYS 63 -3.991 -14.542 6.743 497 HE2 LYS 63 2HE LYS 63 -2.544 -17.108 6.113 498 HE3 LYS 63 1HE LYS 63 -3.898 -16.974 7.229 499 HZ1 LYS 63 1HZ LYS 63 -5.244 -16.120 5.372 500 HZ2 LYS 63 2HZ LYS 63 -4.683 -17.682 5.095 501 HZ3 LYS 63 3HZ LYS 63 -3.946 -16.382 4.319 502 H GLN 64 H GLN 64 -0.415 -10.419 5.814 503 HA GLN 64 HA GLN 64 -2.336 -8.440 5.231 504 HB2 GLN 64 2HB GLN 64 -0.768 -8.372 7.180 505 HB3 GLN 64 1HB GLN 64 0.556 -8.055 6.074 506 HG2 GLN 64 2HG GLN 64 -1.810 -6.224 6.155 507 HG3 GLN 64 1HG GLN 64 -0.546 -6.098 7.373 508 HE21 GLN 64 1HE2 GLN 64 -1.393 -4.231 5.276 509 HE22 GLN 64 2HE2 GLN 64 0.020 -3.893 4.342 510 H GLY 65 H GLY 65 0.816 -9.206 3.835 511 HA2 GLY 65 2HA GLY 65 0.767 -7.141 1.885 512 HA3 GLY 65 1HA GLY 65 1.781 -8.580 1.846 513 H ASP 66 H ASP 66 -0.214 -10.531 1.872 514 HA ASP 66 HA ASP 66 -0.830 -10.790 -0.854 515 HB2 ASP 66 2HB ASP 66 -0.629 -12.682 0.739 516 HB3 ASP 66 1HB ASP 66 -2.141 -12.185 1.488 517 H GLN 67 H GLN 67 -2.793 -9.769 1.895 518 HA GLN 67 HA GLN 67 -5.233 -9.518 0.505 519 HB2 GLN 67 2HB GLN 67 -5.068 -9.608 2.964 520 HB3 GLN 67 1HB GLN 67 -4.261 -8.050 2.968 521 HG2 GLN 67 2HG GLN 67 -6.607 -7.860 3.603 522 HG3 GLN 67 1HG GLN 67 -6.261 -6.977 2.119 523 HE21 GLN 67 1HE2 GLN 67 -6.572 -10.453 2.217 524 HE22 GLN 67 2HE2 GLN 67 -8.055 -10.537 1.335 525 H TRP 68 H TRP 68 -2.546 -7.320 1.071 526 HA TRP 68 HA TRP 68 -3.758 -5.042 -0.035 527 HB2 TRP 68 2HB TRP 68 -1.794 -5.114 1.517 528 HB3 TRP 68 1HB TRP 68 -0.828 -5.722 0.179 529 HD1 TRP 68 HD TRP 68 0.119 -4.041 -1.430 530 HE1 TRP 68 1HE TRP 68 0.053 -1.455 -1.626 531 HE3 TRP 68 3HE TRP 68 -3.523 -3.098 1.973 532 HZ2 TRP 68 2HZ TRP 68 -1.388 0.678 -0.466 533 HZ3 TRP 68 3HZ TRP 68 -4.201 -0.769 2.376 534 HH2 TRP 68 HH TRP 68 -3.159 1.074 1.181 535 H VAL 69 H VAL 69 -1.793 -7.680 -1.311 536 HA VAL 69 HA VAL 69 -1.456 -6.718 -3.933 537 HB VAL 69 HB VAL 69 -1.613 -9.582 -2.933 538 HG11 VAL 69 1HG1 VAL 69 -2.141 -9.515 -5.316 539 HG12 VAL 69 2HG1 VAL 69 -0.548 -10.225 -5.051 540 HG13 VAL 69 3HG1 VAL 69 -0.688 -8.562 -5.623 541 HG21 VAL 69 1HG2 VAL 69 0.831 -9.526 -3.148 542 HG22 VAL 69 2HG2 VAL 69 0.250 -8.305 -2.015 543 HG23 VAL 69 3HG2 VAL 69 0.745 -7.835 -3.642 544 H GLN 70 H GLN 70 -4.069 -8.502 -2.382 545 HA GLN 70 HA GLN 70 -5.608 -9.029 -4.681 546 HB2 GLN 70 2HB GLN 70 -6.505 -8.588 -1.826 547 HB3 GLN 70 1HB GLN 70 -7.516 -9.247 -3.103 548 HG2 GLN 70 2HG GLN 70 -6.040 -11.165 -3.312 549 HG3 GLN 70 1HG GLN 70 -4.976 -10.495 -2.075 550 HE21 GLN 70 1HE2 GLN 70 -5.228 -12.267 -0.719 551 HE22 GLN 70 2HE2 GLN 70 -6.709 -12.564 0.132 552 H LEU 71 H LEU 71 -5.291 -6.172 -2.659 553 HA LEU 71 HA LEU 71 -7.471 -4.751 -3.738 554 HB2 LEU 71 2HB LEU 71 -6.551 -4.096 -1.630 555 HB3 LEU 71 1HB LEU 71 -4.948 -3.929 -2.313 556 HG LEU 71 HG LEU 71 -5.722 -2.027 -3.621 557 HD11 LEU 71 1HD1 LEU 71 -8.087 -2.561 -3.797 558 HD12 LEU 71 2HD1 LEU 71 -7.881 -0.967 -3.072 559 HD13 LEU 71 3HD1 LEU 71 -8.284 -2.352 -2.057 560 HD21 LEU 71 1HD2 LEU 71 -5.887 -0.451 -1.741 561 HD22 LEU 71 2HD2 LEU 71 -4.634 -1.666 -1.485 562 HD23 LEU 71 3HD2 LEU 71 -6.183 -1.806 -0.652 563 H PHE 72 H PHE 72 -4.023 -4.948 -4.486 564 HA PHE 72 HA PHE 72 -4.023 -3.137 -6.655 565 HB2 PHE 72 2HB PHE 72 -2.196 -5.315 -5.730 566 HB3 PHE 72 1HB PHE 72 -1.981 -4.675 -7.355 567 HD1 PHE 72 1HD PHE 72 -2.743 -3.130 -4.035 568 HD2 PHE 72 2HD PHE 72 -0.210 -3.239 -7.451 569 HE1 PHE 72 1HE PHE 72 -1.438 -1.255 -3.126 570 HE2 PHE 72 2HE PHE 72 1.100 -1.366 -6.546 571 HZ PHE 72 HZ PHE 72 0.486 -0.371 -4.382 572 H GLN 73 H GLN 73 -4.736 -6.544 -6.377 573 HA GLN 73 HA GLN 73 -4.871 -7.233 -9.088 574 HB2 GLN 73 2HB GLN 73 -4.960 -8.863 -7.228 575 HB3 GLN 73 1HB GLN 73 -6.552 -8.266 -6.789 576 HG2 GLN 73 2HG GLN 73 -6.784 -10.320 -7.987 577 HG3 GLN 73 1HG GLN 73 -7.396 -9.005 -8.987 578 HE21 GLN 73 1HE2 GLN 73 -7.135 -10.158 -10.863 579 HE22 GLN 73 2HE2 GLN 73 -5.586 -10.491 -11.559 580 H ARG 74 H ARG 74 -7.331 -5.935 -6.891 581 HA ARG 74 HA ARG 74 -9.490 -5.793 -8.676 582 HB2 ARG 74 2HB ARG 74 -8.766 -4.010 -6.337 583 HB3 ARG 74 1HB ARG 74 -10.306 -3.940 -7.177 584 HG2 ARG 74 2HG ARG 74 -10.905 -6.115 -6.430 585 HG3 ARG 74 1HG ARG 74 -9.276 -6.420 -5.820 586 HD2 ARG 74 2HD ARG 74 -10.890 -5.873 -4.021 587 HD3 ARG 74 1HD ARG 74 -9.551 -4.733 -4.113 588 HE ARG 74 HE ARG 74 -11.899 -3.921 -5.578 589 HH11 ARG 74 1HH1 ARG 74 -10.337 -3.883 -2.427 590 HH12 ARG 74 2HH1 ARG 74 -11.131 -2.425 -1.911 591 HH21 ARG 74 1HH2 ARG 74 -12.970 -2.003 -4.860 592 HH22 ARG 74 2HH2 ARG 74 -12.613 -1.357 -3.290 593 H PHE 75 H PHE 75 -6.933 -3.490 -7.927 594 HA PHE 75 HA PHE 75 -7.792 -1.391 -9.599 595 HB2 PHE 75 2HB PHE 75 -6.159 -1.155 -7.736 596 HB3 PHE 75 1HB PHE 75 -4.985 -2.062 -8.678 597 HD1 PHE 75 1HD PHE 75 -6.947 1.071 -8.578 598 HD2 PHE 75 2HD PHE 75 -3.623 -0.981 -10.265 599 HE1 PHE 75 1HE PHE 75 -6.153 3.178 -9.566 600 HE2 PHE 75 2HE PHE 75 -2.823 1.123 -11.257 601 HZ PHE 75 HZ PHE 75 -4.089 3.206 -10.909 602 H ARG 76 H ARG 76 -5.589 -4.092 -10.135 603 HA ARG 76 HA ARG 76 -4.708 -3.323 -12.701 604 HB2 ARG 76 2HB ARG 76 -3.677 -5.043 -11.142 605 HB3 ARG 76 1HB ARG 76 -4.927 -6.151 -11.682 606 HG2 ARG 76 2HG ARG 76 -2.862 -6.543 -12.881 607 HG3 ARG 76 1HG ARG 76 -4.105 -5.943 -13.983 608 HD2 ARG 76 2HD ARG 76 -3.127 -3.810 -14.092 609 HD3 ARG 76 1HD ARG 76 -2.129 -4.105 -12.670 610 HE ARG 76 HE ARG 76 -1.540 -5.901 -14.813 611 HH11 ARG 76 1HH1 ARG 76 -0.969 -2.644 -13.644 612 HH12 ARG 76 2HH1 ARG 76 0.587 -2.500 -14.406 613 HH21 ARG 76 1HH2 ARG 76 0.532 -5.705 -15.815 614 HH22 ARG 76 2HH2 ARG 76 1.441 -4.236 -15.611 615 H GLU 77 H GLU 77 -7.322 -5.477 -11.636 616 HA GLU 77 HA GLU 77 -8.114 -6.237 -14.233 617 HB2 GLU 77 2HB GLU 77 -9.653 -6.266 -11.639 618 HB3 GLU 77 1HB GLU 77 -10.219 -6.997 -13.136 619 HG2 GLU 77 2HG GLU 77 -8.167 -8.412 -13.136 620 HG3 GLU 77 1HG GLU 77 -7.787 -7.765 -11.541 621 H ALA 78 H ALA 78 -9.150 -3.609 -12.114 622 HA ALA 78 HA ALA 78 -11.286 -2.698 -13.698 623 HB1 ALA 78 1HB ALA 78 -10.914 -1.933 -11.402 624 HB2 ALA 78 2HB ALA 78 -11.033 -0.572 -12.517 625 HB3 ALA 78 3HB ALA 78 -9.456 -1.087 -11.917 626 H ILE 79 H ILE 79 -7.807 -2.097 -13.880 627 HA ILE 79 HA ILE 79 -7.874 -0.137 -15.932 628 HB ILE 79 HB ILE 79 -5.704 -2.161 -15.289 629 HG12 ILE 79 2HG1 ILE 79 -5.969 0.751 -14.510 630 HG13 ILE 79 1HG1 ILE 79 -6.207 -0.622 -13.436 631 HG21 ILE 79 1HG2 ILE 79 -4.185 -0.695 -16.538 632 HG22 ILE 79 2HG2 ILE 79 -5.549 0.330 -16.987 633 HG23 ILE 79 3HG2 ILE 79 -5.467 -1.333 -17.569 634 HD11 ILE 79 1HD1 ILE 79 -3.868 -1.247 -13.712 635 HD12 ILE 79 2HD1 ILE 79 -4.029 0.402 -13.108 636 HD13 ILE 79 3HD1 ILE 79 -3.629 0.119 -14.802 637 H ASP 80 H ASP 80 -7.771 -3.642 -15.922 638 HA ASP 80 HA ASP 80 -7.414 -4.088 -18.671 639 HB2 ASP 80 2HB ASP 80 -7.114 -5.885 -17.077 640 HB3 ASP 80 1HB ASP 80 -8.788 -5.756 -16.553 641 H LYS 81 H LYS 81 -10.293 -3.509 -16.736 642 HA LYS 81 HA LYS 81 -12.083 -3.966 -18.963 643 HB2 LYS 81 2HB LYS 81 -12.795 -2.650 -16.341 644 HB3 LYS 81 1HB LYS 81 -13.869 -3.479 -17.457 645 HG2 LYS 81 2HG LYS 81 -11.810 -4.682 -15.632 646 HG3 LYS 81 1HG LYS 81 -13.559 -4.909 -15.606 647 HD2 LYS 81 2HD LYS 81 -13.480 -6.125 -17.683 648 HD3 LYS 81 1HD LYS 81 -11.760 -5.773 -17.864 649 HE2 LYS 81 2HE LYS 81 -11.409 -6.988 -15.684 650 HE3 LYS 81 1HE LYS 81 -13.084 -7.523 -15.810 651 HZ1 LYS 81 1HZ LYS 81 -12.550 -8.555 -17.928 652 HZ2 LYS 81 2HZ LYS 81 -11.561 -9.164 -16.697 653 HZ3 LYS 81 3HZ LYS 81 -10.942 -8.032 -17.795 654 H GLY 82 H GLY 82 -10.167 -1.432 -17.877 655 HA2 GLY 82 2HA GLY 82 -9.890 0.699 -18.675 656 HA3 GLY 82 1HA GLY 82 -11.096 0.333 -19.901 657 H ASP 83 H ASP 83 -11.795 -0.025 -16.510 658 HA ASP 83 HA ASP 83 -13.796 2.092 -16.779 659 HB2 ASP 83 2HB ASP 83 -14.557 -0.143 -16.004 660 HB3 ASP 83 1HB ASP 83 -13.513 0.017 -14.596 661 H LYS 84 H LYS 84 -12.745 3.961 -16.423 662 HA LYS 84 HA LYS 84 -10.740 4.303 -14.440 663 HB2 LYS 84 2HB LYS 84 -10.834 5.713 -16.445 664 HB3 LYS 84 1HB LYS 84 -12.374 6.376 -15.924 665 HG2 LYS 84 2HG LYS 84 -11.297 7.421 -14.002 666 HG3 LYS 84 1HG LYS 84 -9.750 6.709 -14.466 667 HD2 LYS 84 2HD LYS 84 -9.743 7.983 -16.525 668 HD3 LYS 84 1HD LYS 84 -11.348 8.619 -16.172 669 HE2 LYS 84 2HE LYS 84 -9.613 10.268 -15.670 670 HE3 LYS 84 1HE LYS 84 -10.468 9.780 -14.210 671 HZ1 LYS 84 1HZ LYS 84 -8.647 8.553 -13.465 672 HZ2 LYS 84 2HZ LYS 84 -7.938 9.953 -14.121 673 HZ3 LYS 84 3HZ LYS 84 -7.923 8.509 -14.998 674 H ASP 85 H ASP 85 -14.204 4.535 -14.370 675 HA ASP 85 HA ASP 85 -14.519 6.264 -12.182 676 HB2 ASP 85 2HB ASP 85 -16.413 5.646 -13.567 677 HB3 ASP 85 1HB ASP 85 -16.273 3.965 -13.064 678 H SER 86 H SER 86 -14.332 2.700 -12.240 679 HA SER 86 HA SER 86 -14.398 2.452 -9.412 680 HB2 SER 86 2HB SER 86 -14.986 0.595 -10.968 681 HB3 SER 86 1HB SER 86 -13.296 0.500 -11.457 682 HG SER 86 HG SER 86 -13.574 0.407 -8.754 683 H LEU 87 H LEU 87 -11.876 2.831 -11.795 684 HA LEU 87 HA LEU 87 -9.663 2.228 -10.188 685 HB2 LEU 87 2HB LEU 87 -9.994 3.973 -12.610 686 HB3 LEU 87 1HB LEU 87 -8.438 3.718 -11.842 687 HG LEU 87 HG LEU 87 -10.125 1.436 -12.852 688 HD11 LEU 87 1HD1 LEU 87 -9.623 2.857 -14.764 689 HD12 LEU 87 2HD1 LEU 87 -8.662 1.386 -14.815 690 HD13 LEU 87 3HD1 LEU 87 -7.923 2.899 -14.305 691 HD21 LEU 87 1HD2 LEU 87 -8.441 0.887 -11.203 692 HD22 LEU 87 2HD2 LEU 87 -7.216 1.707 -12.174 693 HD23 LEU 87 3HD2 LEU 87 -8.004 0.254 -12.790 694 H GLU 88 H GLU 88 -11.252 5.348 -10.836 695 HA GLU 88 HA GLU 88 -9.580 6.938 -9.230 696 HB2 GLU 88 2HB GLU 88 -12.532 7.298 -9.807 697 HB3 GLU 88 1HB GLU 88 -11.452 8.540 -9.196 698 HG2 GLU 88 2HG GLU 88 -11.080 7.179 -11.852 699 HG3 GLU 88 1HG GLU 88 -11.996 8.665 -11.640 700 H GLN 89 H GLN 89 -12.534 5.123 -8.493 701 HA GLN 89 HA GLN 89 -12.856 5.900 -5.827 702 HB2 GLN 89 2HB GLN 89 -14.598 4.792 -7.144 703 HB3 GLN 89 1HB GLN 89 -13.626 3.335 -7.235 704 HG2 GLN 89 2HG GLN 89 -14.495 4.437 -4.595 705 HG3 GLN 89 1HG GLN 89 -15.575 3.456 -5.581 706 HE21 GLN 89 1HE2 GLN 89 -14.374 2.937 -2.947 707 HE22 GLN 89 2HE2 GLN 89 -13.515 1.442 -3.100 708 H LEU 90 H LEU 90 -11.076 3.230 -7.301 709 HA LEU 90 HA LEU 90 -10.306 1.923 -4.953 710 HB2 LEU 90 2HB LEU 90 -8.952 2.072 -7.638 711 HB3 LEU 90 1HB LEU 90 -8.442 1.000 -6.350 712 HG LEU 90 HG LEU 90 -11.164 0.930 -7.652 713 HD11 LEU 90 1HD1 LEU 90 -9.377 0.298 -9.204 714 HD12 LEU 90 2HD1 LEU 90 -10.396 -1.074 -8.766 715 HD13 LEU 90 3HD1 LEU 90 -8.803 -0.889 -8.032 716 HD21 LEU 90 1HD2 LEU 90 -11.338 -1.239 -6.511 717 HD22 LEU 90 2HD2 LEU 90 -11.196 0.105 -5.381 718 HD23 LEU 90 3HD2 LEU 90 -9.802 -0.924 -5.707 719 H LEU 91 H LEU 91 -8.871 4.618 -6.671 720 HA LEU 91 HA LEU 91 -6.466 4.722 -5.202 721 HB2 LEU 91 2HB LEU 91 -7.987 6.915 -6.606 722 HB3 LEU 91 1HB LEU 91 -6.350 7.071 -5.997 723 HG LEU 91 HG LEU 91 -7.174 5.079 -8.108 724 HD11 LEU 91 1HD1 LEU 91 -7.471 7.380 -8.891 725 HD12 LEU 91 2HD1 LEU 91 -6.146 6.558 -9.713 726 HD13 LEU 91 3HD1 LEU 91 -5.801 7.736 -8.449 727 HD21 LEU 91 1HD2 LEU 91 -4.754 4.919 -8.497 728 HD22 LEU 91 2HD2 LEU 91 -5.192 4.428 -6.861 729 HD23 LEU 91 3HD2 LEU 91 -4.472 6.013 -7.143 730 H GLU 92 H GLU 92 -9.651 6.120 -4.659 731 HA GLU 92 HA GLU 92 -8.916 7.641 -2.361 732 HB2 GLU 92 2HB GLU 92 -11.625 6.568 -3.144 733 HB3 GLU 92 1HB GLU 92 -11.315 7.836 -1.968 734 HG2 GLU 92 2HG GLU 92 -10.364 9.222 -3.775 735 HG3 GLU 92 1HG GLU 92 -10.803 7.960 -4.927 736 H GLU 93 H GLU 93 -10.400 4.468 -2.850 737 HA GLU 93 HA GLU 93 -10.761 3.785 -0.143 738 HB2 GLU 93 2HB GLU 93 -11.676 2.634 -2.274 739 HB3 GLU 93 1HB GLU 93 -10.141 1.779 -2.307 740 HG2 GLU 93 2HG GLU 93 -10.624 0.979 0.003 741 HG3 GLU 93 1HG GLU 93 -12.224 1.702 -0.142 742 H LEU 94 H LEU 94 -8.071 3.592 -2.305 743 HA LEU 94 HA LEU 94 -6.333 1.894 -0.944 744 HB2 LEU 94 2HB LEU 94 -6.063 2.668 -3.245 745 HB3 LEU 94 1HB LEU 94 -5.787 4.297 -2.680 746 HG LEU 94 HG LEU 94 -3.688 3.526 -1.609 747 HD11 LEU 94 1HD1 LEU 94 -2.790 1.342 -2.249 748 HD12 LEU 94 2HD1 LEU 94 -4.319 0.948 -3.036 749 HD13 LEU 94 3HD1 LEU 94 -4.260 1.184 -1.290 750 HD21 LEU 94 1HD2 LEU 94 -3.979 2.979 -4.558 751 HD22 LEU 94 2HD2 LEU 94 -2.461 3.281 -3.713 752 HD23 LEU 94 3HD2 LEU 94 -3.683 4.550 -3.810 753 H GLU 95 H GLU 95 -6.727 5.435 -0.742 754 HA GLU 95 HA GLU 95 -4.707 5.853 1.180 755 HB2 GLU 95 2HB GLU 95 -7.160 7.490 0.543 756 HB3 GLU 95 1HB GLU 95 -5.865 8.022 1.607 757 HG2 GLU 95 2HG GLU 95 -4.283 7.824 -0.261 758 HG3 GLU 95 1HG GLU 95 -5.619 7.368 -1.315 759 H GLN 96 H GLN 96 -8.150 5.187 1.474 760 HA GLN 96 HA GLN 96 -8.388 5.529 4.255 761 HB2 GLN 96 2HB GLN 96 -9.895 3.598 2.481 762 HB3 GLN 96 1HB GLN 96 -10.392 4.134 4.080 763 HG2 GLN 96 2HG GLN 96 -10.641 6.404 3.262 764 HG3 GLN 96 1HG GLN 96 -10.092 5.901 1.664 765 HE21 GLN 96 1HE2 GLN 96 -12.609 7.101 2.490 766 HE22 GLN 96 2HE2 GLN 96 -13.847 6.006 1.980 767 H ALA 97 H ALA 97 -7.467 2.770 2.279 768 HA ALA 97 HA ALA 97 -7.258 0.904 4.387 769 HB1 ALA 97 1HB ALA 97 -5.783 0.874 1.755 770 HB2 ALA 97 2HB ALA 97 -7.437 0.309 1.985 771 HB3 ALA 97 3HB ALA 97 -6.109 -0.505 2.810 772 H LEU 98 H LEU 98 -4.973 3.169 2.930 773 HA LEU 98 HA LEU 98 -2.648 2.321 4.284 774 HB2 LEU 98 2HB LEU 98 -3.454 5.032 3.237 775 HB3 LEU 98 1HB LEU 98 -1.870 4.693 3.902 776 HG LEU 98 HG LEU 98 -3.030 3.313 1.484 777 HD11 LEU 98 1HD1 LEU 98 -2.656 5.697 1.071 778 HD12 LEU 98 2HD1 LEU 98 -1.507 4.694 0.187 779 HD13 LEU 98 3HD1 LEU 98 -1.000 5.535 1.653 780 HD21 LEU 98 1HD2 LEU 98 -0.250 3.335 2.659 781 HD22 LEU 98 2HD2 LEU 98 -0.727 2.555 1.152 782 HD23 LEU 98 3HD2 LEU 98 -1.378 1.980 2.685 783 H GLN 99 H GLN 99 -5.205 4.576 5.134 784 HA GLN 99 HA GLN 99 -4.116 5.579 7.503 785 HB2 GLN 99 2HB GLN 99 -6.092 6.464 6.235 786 HB3 GLN 99 1HB GLN 99 -7.024 5.100 6.832 787 HG2 GLN 99 2HG GLN 99 -7.517 7.013 8.145 788 HG3 GLN 99 1HG GLN 99 -6.595 5.869 9.122 789 HE21 GLN 99 1HE2 GLN 99 -6.547 8.931 7.486 790 HE22 GLN 99 2HE2 GLN 99 -5.111 9.533 8.233 791 H LYS 100 H LYS 100 -6.196 2.819 6.808 792 HA LYS 100 HA LYS 100 -6.625 1.927 9.430 793 HB2 LYS 100 2HB LYS 100 -7.992 1.180 7.560 794 HB3 LYS 100 1HB LYS 100 -6.604 0.410 6.813 795 HG2 LYS 100 2HG LYS 100 -6.518 -1.247 8.552 796 HG3 LYS 100 1HG LYS 100 -7.782 -0.416 9.462 797 HD2 LYS 100 2HD LYS 100 -9.370 -0.830 7.647 798 HD3 LYS 100 1HD LYS 100 -8.106 -1.630 6.713 799 HE2 LYS 100 2HE LYS 100 -8.996 -2.565 9.438 800 HE3 LYS 100 1HE LYS 100 -9.706 -3.154 7.937 801 HZ1 LYS 100 1HZ LYS 100 -6.832 -3.376 8.659 802 HZ2 LYS 100 2HZ LYS 100 -7.566 -3.993 7.269 803 HZ3 LYS 100 3HZ LYS 100 -7.969 -4.618 8.781 804 H ILE 101 H ILE 101 -4.088 1.136 7.084 805 HA ILE 101 HA ILE 101 -2.872 -0.926 8.567 806 HB ILE 101 HB ILE 101 -1.631 0.959 6.552 807 HG12 ILE 101 2HG1 ILE 101 -2.665 -1.868 6.252 808 HG13 ILE 101 1HG1 ILE 101 -3.464 -0.415 5.657 809 HG21 ILE 101 1HG2 ILE 101 0.163 -0.704 6.339 810 HG22 ILE 101 2HG2 ILE 101 -0.548 -1.632 7.659 811 HG23 ILE 101 3HG2 ILE 101 0.095 -0.019 7.963 812 HD11 ILE 101 1HD1 ILE 101 -2.299 -1.589 3.874 813 HD12 ILE 101 2HD1 ILE 101 -0.781 -1.444 4.757 814 HD13 ILE 101 3HD1 ILE 101 -1.592 0.001 4.152 815 H ARG 102 H ARG 102 -2.174 2.563 8.441 816 HA ARG 102 HA ARG 102 0.117 2.465 10.078 817 HB2 ARG 102 2HB ARG 102 -1.797 4.768 9.726 818 HB3 ARG 102 1HB ARG 102 -0.173 4.873 10.384 819 HG2 ARG 102 2HG ARG 102 0.683 4.056 8.186 820 HG3 ARG 102 1HG ARG 102 -0.964 4.198 7.565 821 HD2 ARG 102 2HD ARG 102 0.803 6.390 8.629 822 HD3 ARG 102 1HD ARG 102 0.191 6.199 6.986 823 HE ARG 102 HE ARG 102 -2.064 6.379 8.477 824 HH11 ARG 102 1HH1 ARG 102 0.796 8.386 8.220 825 HH12 ARG 102 2HH1 ARG 102 -0.046 9.852 8.607 826 HH21 ARG 102 1HH2 ARG 102 -3.172 8.318 9.012 827 HH22 ARG 102 2HH2 ARG 102 -2.298 9.811 9.051 828 H GLU 103 H GLU 103 -3.271 3.105 10.881 829 HA GLU 103 HA GLU 103 -2.765 3.679 13.588 830 HB2 GLU 103 2HB GLU 103 -5.332 2.715 12.325 831 HB3 GLU 103 1HB GLU 103 -5.180 3.467 13.908 832 HG2 GLU 103 2HG GLU 103 -4.252 5.489 12.757 833 HG3 GLU 103 1HG GLU 103 -4.681 4.730 11.226 834 H LEU 104 H LEU 104 -3.714 0.675 11.965 835 HA LEU 104 HA LEU 104 -3.963 -0.785 14.407 836 HB2 LEU 104 2HB LEU 104 -3.704 -1.729 11.563 837 HB3 LEU 104 1HB LEU 104 -4.026 -2.782 12.926 838 HG LEU 104 HG LEU 104 -5.828 -0.554 11.981 839 HD11 LEU 104 1HD1 LEU 104 -7.301 -2.357 11.260 840 HD12 LEU 104 2HD1 LEU 104 -6.082 -3.541 11.735 841 HD13 LEU 104 3HD1 LEU 104 -5.751 -2.414 10.420 842 HD21 LEU 104 1HD2 LEU 104 -6.027 -0.892 14.371 843 HD22 LEU 104 2HD2 LEU 104 -6.181 -2.633 14.137 844 HD23 LEU 104 3HD2 LEU 104 -7.444 -1.549 13.554 845 H ALA 105 H ALA 105 -1.374 -0.483 11.998 846 HA ALA 105 HA ALA 105 0.222 -2.542 13.128 847 HB1 ALA 105 1HB ALA 105 0.459 -1.823 10.799 848 HB2 ALA 105 2HB ALA 105 1.991 -1.747 11.671 849 HB3 ALA 105 3HB ALA 105 1.085 -0.269 11.348 850 H GLU 106 H GLU 106 -0.104 0.861 13.823 851 HA GLU 106 HA GLU 106 2.314 0.851 15.454 852 HB2 GLU 106 2HB GLU 106 1.818 2.831 14.099 853 HB3 GLU 106 1HB GLU 106 0.286 3.031 14.935 854 HG2 GLU 106 2HG GLU 106 1.767 3.159 17.065 855 HG3 GLU 106 1HG GLU 106 3.057 3.523 15.922 856 H LYS 107 H LYS 107 -1.108 0.480 15.832 857 HA LYS 107 HA LYS 107 -0.745 0.652 18.736 858 HB2 LYS 107 2HB LYS 107 -1.981 2.603 17.848 859 HB3 LYS 107 1HB LYS 107 -3.206 1.511 17.220 860 HG2 LYS 107 2HG LYS 107 -3.760 0.808 19.484 861 HG3 LYS 107 1HG LYS 107 -2.496 1.859 20.128 862 HD2 LYS 107 2HD LYS 107 -3.650 3.804 19.138 863 HD3 LYS 107 1HD LYS 107 -4.934 2.732 18.580 864 HE2 LYS 107 2HE LYS 107 -4.137 3.146 21.458 865 HE3 LYS 107 1HE LYS 107 -5.508 3.917 20.665 866 HZ1 LYS 107 1HZ LYS 107 -6.376 1.635 20.231 867 HZ2 LYS 107 2HZ LYS 107 -6.312 2.059 21.858 868 HZ3 LYS 107 3HZ LYS 107 -5.140 1.019 21.220 869 H LYS 108 H LYS 108 -0.502 -1.496 19.011 870 HA LYS 108 HA LYS 108 -2.636 -3.296 18.189 871 HB2 LYS 108 2HB LYS 108 -0.051 -3.775 19.690 872 HB3 LYS 108 1HB LYS 108 -1.203 -5.029 19.266 873 HG2 LYS 108 2HG LYS 108 -0.805 -4.659 16.914 874 HG3 LYS 108 1HG LYS 108 0.250 -3.293 17.281 875 HD2 LYS 108 2HD LYS 108 1.499 -5.372 16.748 876 HD3 LYS 108 1HD LYS 108 1.844 -4.749 18.361 877 HE2 LYS 108 2HE LYS 108 1.569 -7.171 18.408 878 HE3 LYS 108 1HE LYS 108 0.291 -6.382 19.324 879 HZ1 LYS 108 1HZ LYS 108 -0.686 -8.079 18.031 880 HZ2 LYS 108 2HZ LYS 108 0.101 -7.589 16.624 881 HZ3 LYS 108 3HZ LYS 108 -1.122 -6.621 17.292 882 H ASN 109 H ASN 109 -1.560 -1.426 20.827 883 HA ASN 109 HA ASN 109 -2.866 -2.872 22.903 884 HB2 ASN 109 2HB ASN 109 -2.400 -0.876 24.299 885 HB3 ASN 109 1HB ASN 109 -0.970 -1.455 23.461 886 HD21 ASN 109 1HD2 ASN 109 -3.259 1.117 23.782 887 HD22 ASN 109 2HD2 ASN 109 -2.412 2.265 22.805 Start of MODEL 13 1 H1 SER 1 1HT SER 1 12.608 8.919 15.168 2 H2 SER 1 2HT SER 1 12.580 10.023 16.460 3 H3 SER 1 3HT SER 1 11.773 8.552 16.592 4 HA SER 1 HA SER 1 14.678 8.793 16.222 5 HB2 SER 1 2HB SER 1 13.140 8.377 18.795 6 HB3 SER 1 1HB SER 1 14.896 8.363 18.625 7 HG SER 1 HG SER 1 13.180 10.474 18.814 8 H GLU 2 H GLU 2 12.307 6.676 17.908 9 HA GLU 2 HA GLU 2 13.771 4.377 16.879 10 HB2 GLU 2 2HB GLU 2 13.217 4.396 19.264 11 HB3 GLU 2 1HB GLU 2 11.511 4.564 18.883 12 HG2 GLU 2 2HG GLU 2 11.430 2.380 17.941 13 HG3 GLU 2 1HG GLU 2 13.179 2.213 18.053 14 H PHE 3 H PHE 3 12.776 2.732 15.656 15 HA PHE 3 HA PHE 3 11.413 1.869 14.025 16 HB2 PHE 3 2HB PHE 3 9.714 2.247 15.970 17 HB3 PHE 3 1HB PHE 3 9.192 3.651 15.058 18 HD1 PHE 3 1HD PHE 3 9.337 -0.009 15.134 19 HD2 PHE 3 2HD PHE 3 7.855 3.405 13.074 20 HE1 PHE 3 1HE PHE 3 7.787 -1.446 13.876 21 HE2 PHE 3 2HE PHE 3 6.307 1.975 11.809 22 HZ PHE 3 HZ PHE 3 6.269 -0.453 12.212 23 H GLU 4 H GLU 4 12.853 4.497 13.886 24 HA GLU 4 HA GLU 4 11.460 6.465 12.478 25 HB2 GLU 4 2HB GLU 4 13.644 6.672 13.701 26 HB3 GLU 4 1HB GLU 4 14.412 5.873 12.339 27 HG2 GLU 4 2HG GLU 4 14.733 8.228 12.164 28 HG3 GLU 4 1HG GLU 4 13.642 7.699 10.882 29 H LYS 5 H LYS 5 13.575 3.875 11.285 30 HA LYS 5 HA LYS 5 13.341 4.704 8.572 31 HB2 LYS 5 2HB LYS 5 14.420 2.212 9.858 32 HB3 LYS 5 1HB LYS 5 14.368 2.416 8.111 33 HG2 LYS 5 2HG LYS 5 15.790 4.351 8.244 34 HG3 LYS 5 1HG LYS 5 15.757 4.297 10.006 35 HD2 LYS 5 2HD LYS 5 16.974 2.244 10.036 36 HD3 LYS 5 1HD LYS 5 16.819 2.063 8.288 37 HE2 LYS 5 2HE LYS 5 19.057 2.855 8.996 38 HE3 LYS 5 1HE LYS 5 18.234 3.972 7.911 39 HZ1 LYS 5 1HZ LYS 5 18.403 4.237 10.864 40 HZ2 LYS 5 2HZ LYS 5 17.628 5.320 9.826 41 HZ3 LYS 5 3HZ LYS 5 19.305 5.117 9.740 42 H LEU 6 H LEU 6 11.705 2.295 10.522 43 HA LEU 6 HA LEU 6 10.302 1.147 8.322 44 HB2 LEU 6 2HB LEU 6 10.795 0.321 10.835 45 HB3 LEU 6 1HB LEU 6 9.176 0.947 11.059 46 HG LEU 6 HG LEU 6 9.888 -1.135 8.991 47 HD11 LEU 6 1HD1 LEU 6 8.719 -1.509 11.740 48 HD12 LEU 6 2HD1 LEU 6 10.330 -2.002 11.214 49 HD13 LEU 6 3HD1 LEU 6 8.901 -2.761 10.512 50 HD21 LEU 6 1HD2 LEU 6 7.231 -0.234 10.104 51 HD22 LEU 6 2HD2 LEU 6 7.475 -1.540 8.943 52 HD23 LEU 6 3HD2 LEU 6 7.856 0.122 8.494 53 H ARG 7 H ARG 7 9.698 3.763 10.588 54 HA ARG 7 HA ARG 7 6.958 4.146 10.074 55 HB2 ARG 7 2HB ARG 7 8.557 5.226 11.869 56 HB3 ARG 7 1HB ARG 7 8.810 6.450 10.638 57 HG2 ARG 7 2HG ARG 7 6.082 5.696 11.677 58 HG3 ARG 7 1HG ARG 7 7.068 6.977 12.376 59 HD2 ARG 7 2HD ARG 7 7.020 8.207 10.300 60 HD3 ARG 7 1HD ARG 7 6.189 6.879 9.490 61 HE ARG 7 HE ARG 7 4.670 7.711 11.709 62 HH11 ARG 7 1HH1 ARG 7 5.615 8.904 8.542 63 HH12 ARG 7 2HH1 ARG 7 4.161 9.815 8.312 64 HH21 ARG 7 1HH2 ARG 7 2.762 8.904 11.407 65 HH22 ARG 7 2HH2 ARG 7 2.536 9.828 9.950 66 H GLN 8 H GLN 8 9.870 5.500 8.567 67 HA GLN 8 HA GLN 8 8.478 7.062 6.669 68 HB2 GLN 8 2HB GLN 8 11.288 6.216 7.043 69 HB3 GLN 8 1HB GLN 8 10.821 6.652 5.406 70 HG2 GLN 8 2HG GLN 8 11.737 8.573 6.500 71 HG3 GLN 8 1HG GLN 8 10.012 8.824 6.250 72 HE21 GLN 8 1HE2 GLN 8 12.525 8.330 8.545 73 HE22 GLN 8 2HE2 GLN 8 11.604 8.695 9.964 74 H THR 9 H THR 9 9.668 3.744 6.611 75 HA THR 9 HA THR 9 9.288 3.264 3.872 76 HB THR 9 HB THR 9 9.022 1.272 6.144 77 HG1 THR 9 1HG THR 9 11.079 2.526 5.901 78 HG21 THR 9 1HG2 THR 9 9.643 0.856 3.213 79 HG22 THR 9 2HG2 THR 9 8.129 0.435 4.013 80 HG23 THR 9 3HG2 THR 9 9.621 -0.400 4.450 81 H GLY 10 H GLY 10 7.090 2.752 6.631 82 HA2 GLY 10 2HA GLY 10 4.914 1.807 5.077 83 HA3 GLY 10 1HA GLY 10 4.810 2.454 6.709 84 H ASP 11 H ASP 11 5.847 5.011 6.201 85 HA ASP 11 HA ASP 11 3.512 6.376 5.381 86 HB2 ASP 11 2HB ASP 11 5.099 7.300 7.009 87 HB3 ASP 11 1HB ASP 11 6.323 7.425 5.752 88 H GLU 12 H GLU 12 6.626 5.820 3.790 89 HA GLU 12 HA GLU 12 6.106 7.340 1.501 90 HB2 GLU 12 2HB GLU 12 7.983 5.044 1.986 91 HB3 GLU 12 1HB GLU 12 7.879 5.855 0.427 92 HG2 GLU 12 2HG GLU 12 8.406 7.987 1.529 93 HG3 GLU 12 1HG GLU 12 8.578 7.132 3.058 94 H LEU 13 H LEU 13 5.257 4.018 2.283 95 HA LEU 13 HA LEU 13 4.420 3.214 -0.272 96 HB2 LEU 13 2HB LEU 13 3.355 2.468 2.452 97 HB3 LEU 13 1HB LEU 13 2.835 1.695 0.969 98 HG LEU 13 HG LEU 13 5.645 1.656 2.069 99 HD11 LEU 13 1HD1 LEU 13 3.546 -0.501 1.930 100 HD12 LEU 13 2HD1 LEU 13 4.086 0.322 3.394 101 HD13 LEU 13 3HD1 LEU 13 5.204 -0.703 2.492 102 HD21 LEU 13 1HD2 LEU 13 5.640 1.576 -0.352 103 HD22 LEU 13 2HD2 LEU 13 4.421 0.304 -0.329 104 HD23 LEU 13 3HD2 LEU 13 6.035 -0.012 0.304 105 H VAL 14 H VAL 14 2.750 4.964 2.282 106 HA VAL 14 HA VAL 14 0.232 5.169 1.039 107 HB VAL 14 HB VAL 14 1.522 7.167 2.915 108 HG11 VAL 14 1HG1 VAL 14 -0.794 7.708 3.558 109 HG12 VAL 14 2HG1 VAL 14 -1.377 6.633 2.288 110 HG13 VAL 14 3HG1 VAL 14 -0.449 8.071 1.869 111 HG21 VAL 14 1HG2 VAL 14 -0.090 4.698 3.562 112 HG22 VAL 14 2HG2 VAL 14 0.372 5.937 4.725 113 HG23 VAL 14 3HG2 VAL 14 1.613 4.975 3.924 114 H GLN 15 H GLN 15 3.072 7.256 1.041 115 HA GLN 15 HA GLN 15 1.974 9.325 -0.537 116 HB2 GLN 15 2HB GLN 15 4.862 8.591 -0.058 117 HB3 GLN 15 1HB GLN 15 4.302 10.105 -0.758 118 HG2 GLN 15 2HG GLN 15 3.131 10.643 1.306 119 HG3 GLN 15 1HG GLN 15 3.648 9.113 2.008 120 HE21 GLN 15 1HE2 GLN 15 4.119 11.833 2.890 121 HE22 GLN 15 2HE2 GLN 15 5.833 12.026 2.982 122 H ALA 16 H ALA 16 3.830 6.436 -1.359 123 HA ALA 16 HA ALA 16 4.336 7.030 -4.051 124 HB1 ALA 16 1HB ALA 16 4.670 4.635 -4.353 125 HB2 ALA 16 2HB ALA 16 3.869 4.316 -2.814 126 HB3 ALA 16 3HB ALA 16 5.408 5.176 -2.845 127 H PHE 17 H PHE 17 1.576 5.444 -2.510 128 HA PHE 17 HA PHE 17 0.188 4.954 -4.923 129 HB2 PHE 17 2HB PHE 17 -0.623 4.979 -2.047 130 HB3 PHE 17 1HB PHE 17 -1.850 4.873 -3.305 131 HD1 PHE 17 1HD PHE 17 0.576 3.082 -1.380 132 HD2 PHE 17 2HD PHE 17 -1.691 2.984 -4.975 133 HE1 PHE 17 1HE PHE 17 0.944 0.657 -1.542 134 HE2 PHE 17 2HE PHE 17 -1.331 0.557 -5.144 135 HZ PHE 17 HZ PHE 17 -0.012 -0.610 -3.425 136 H GLN 18 H GLN 18 0.217 7.684 -2.692 137 HA GLN 18 HA GLN 18 -1.910 9.137 -3.818 138 HB2 GLN 18 2HB GLN 18 0.644 10.180 -2.571 139 HB3 GLN 18 1HB GLN 18 -0.811 11.119 -2.854 140 HG2 GLN 18 2HG GLN 18 -0.585 8.748 -1.021 141 HG3 GLN 18 1HG GLN 18 -0.592 10.439 -0.524 142 HE21 GLN 18 1HE2 GLN 18 -2.404 8.254 0.153 143 HE22 GLN 18 2HE2 GLN 18 -3.988 8.800 -0.288 144 H ARG 19 H ARG 19 1.542 9.027 -4.594 145 HA ARG 19 HA ARG 19 1.418 10.861 -6.739 146 HB2 ARG 19 2HB ARG 19 3.386 8.779 -5.870 147 HB3 ARG 19 1HB ARG 19 3.567 9.529 -7.450 148 HG2 ARG 19 2HG ARG 19 3.440 11.025 -4.837 149 HG3 ARG 19 1HG ARG 19 4.922 10.624 -5.714 150 HD2 ARG 19 2HD ARG 19 4.084 11.884 -7.653 151 HD3 ARG 19 1HD ARG 19 2.648 12.318 -6.742 152 HE ARG 19 HE ARG 19 4.291 13.426 -5.159 153 HH11 ARG 19 1HH1 ARG 19 4.999 12.998 -8.572 154 HH12 ARG 19 2HH1 ARG 19 5.827 14.508 -8.723 155 HH21 ARG 19 1HH2 ARG 19 5.418 15.423 -5.354 156 HH22 ARG 19 2HH2 ARG 19 6.072 15.887 -6.891 157 H LEU 20 H LEU 20 0.959 7.402 -6.499 158 HA LEU 20 HA LEU 20 0.805 6.793 -9.232 159 HB2 LEU 20 2HB LEU 20 0.888 5.136 -7.353 160 HB3 LEU 20 1HB LEU 20 -0.777 5.538 -6.983 161 HG LEU 20 HG LEU 20 -1.383 4.758 -9.297 162 HD11 LEU 20 1HD1 LEU 20 1.436 3.702 -9.242 163 HD12 LEU 20 2HD1 LEU 20 0.798 4.929 -10.336 164 HD13 LEU 20 3HD1 LEU 20 0.203 3.271 -10.425 165 HD21 LEU 20 1HD2 LEU 20 -1.297 2.386 -8.699 166 HD22 LEU 20 2HD2 LEU 20 -1.776 3.384 -7.327 167 HD23 LEU 20 3HD2 LEU 20 -0.132 2.751 -7.427 168 H ARG 21 H ARG 21 -1.571 7.999 -6.924 169 HA ARG 21 HA ARG 21 -3.824 7.868 -8.593 170 HB2 ARG 21 2HB ARG 21 -3.211 9.672 -6.258 171 HB3 ARG 21 1HB ARG 21 -4.761 9.660 -7.076 172 HG2 ARG 21 2HG ARG 21 -4.714 7.113 -6.554 173 HG3 ARG 21 1HG ARG 21 -3.516 7.578 -5.344 174 HD2 ARG 21 2HD ARG 21 -6.321 8.666 -5.590 175 HD3 ARG 21 1HD ARG 21 -5.759 7.517 -4.382 176 HE ARG 21 HE ARG 21 -4.341 9.302 -3.494 177 HH11 ARG 21 1HH1 ARG 21 -6.934 10.290 -5.663 178 HH12 ARG 21 2HH1 ARG 21 -7.081 11.861 -4.960 179 HH21 ARG 21 1HH2 ARG 21 -4.550 11.381 -2.580 180 HH22 ARG 21 2HH2 ARG 21 -5.729 12.486 -3.214 181 H GLU 22 H GLU 22 -1.406 10.429 -8.133 182 HA GLU 22 HA GLU 22 -2.609 12.345 -9.776 183 HB2 GLU 22 2HB GLU 22 0.047 11.883 -8.635 184 HB3 GLU 22 1HB GLU 22 0.084 12.737 -10.170 185 HG2 GLU 22 2HG GLU 22 0.038 14.297 -8.345 186 HG3 GLU 22 1HG GLU 22 -1.454 14.403 -9.274 187 H ILE 23 H ILE 23 -0.285 9.801 -10.519 188 HA ILE 23 HA ILE 23 -0.032 10.346 -13.262 189 HB ILE 23 HB ILE 23 0.270 7.730 -11.776 190 HG12 ILE 23 2HG1 ILE 23 2.356 9.737 -12.655 191 HG13 ILE 23 1HG1 ILE 23 1.723 9.610 -11.018 192 HG21 ILE 23 1HG2 ILE 23 1.612 7.009 -13.687 193 HG22 ILE 23 2HG2 ILE 23 1.234 8.518 -14.518 194 HG23 ILE 23 3HG2 ILE 23 -0.049 7.362 -14.163 195 HD11 ILE 23 1HD1 ILE 23 3.883 8.525 -11.239 196 HD12 ILE 23 2HD1 ILE 23 3.231 7.468 -12.493 197 HD13 ILE 23 3HD1 ILE 23 2.621 7.360 -10.841 198 H PHE 24 H PHE 24 -2.177 8.173 -11.481 199 HA PHE 24 HA PHE 24 -3.540 7.064 -13.670 200 HB2 PHE 24 2HB PHE 24 -3.679 6.096 -11.439 201 HB3 PHE 24 1HB PHE 24 -4.454 7.548 -10.824 202 HD1 PHE 24 1HD PHE 24 -4.910 4.740 -13.205 203 HD2 PHE 24 2HD PHE 24 -6.776 7.748 -10.843 204 HE1 PHE 24 1HE PHE 24 -7.108 3.759 -13.696 205 HE2 PHE 24 2HE PHE 24 -8.979 6.771 -11.330 206 HZ PHE 24 HZ PHE 24 -9.150 4.773 -12.756 207 H ASP 25 H ASP 25 -4.114 9.967 -11.766 208 HA ASP 25 HA ASP 25 -6.587 10.672 -12.947 209 HB2 ASP 25 2HB ASP 25 -5.769 11.559 -10.777 210 HB3 ASP 25 1HB ASP 25 -4.548 12.484 -11.644 211 H LYS 26 H LYS 26 -3.246 11.351 -13.772 212 HA LYS 26 HA LYS 26 -3.904 13.245 -15.828 213 HB2 LYS 26 2HB LYS 26 -1.339 11.755 -15.253 214 HB3 LYS 26 1HB LYS 26 -1.512 13.013 -16.465 215 HG2 LYS 26 2HG LYS 26 -2.074 14.624 -14.709 216 HG3 LYS 26 1HG LYS 26 -1.888 13.356 -13.498 217 HD2 LYS 26 2HD LYS 26 0.122 14.730 -13.616 218 HD3 LYS 26 1HD LYS 26 0.464 13.085 -14.155 219 HE2 LYS 26 2HE LYS 26 1.537 14.719 -15.612 220 HE3 LYS 26 1HE LYS 26 0.305 13.820 -16.490 221 HZ1 LYS 26 1HZ LYS 26 0.010 16.554 -15.373 222 HZ2 LYS 26 2HZ LYS 26 -1.207 15.704 -16.175 223 HZ3 LYS 26 3HZ LYS 26 0.187 16.162 -17.004 224 H GLY 27 H GLY 27 -3.872 9.857 -15.593 225 HA2 GLY 27 2HA GLY 27 -4.519 8.279 -17.142 226 HA3 GLY 27 1HA GLY 27 -4.715 9.573 -18.316 227 H ASP 28 H ASP 28 -1.715 9.166 -16.617 228 HA ASP 28 HA ASP 28 -0.403 8.627 -19.159 229 HB2 ASP 28 2HB ASP 28 0.465 10.365 -17.541 230 HB3 ASP 28 1HB ASP 28 0.906 9.044 -16.466 231 H ASP 29 H ASP 29 -0.854 6.542 -19.615 232 HA ASP 29 HA ASP 29 -0.881 4.405 -17.796 233 HB2 ASP 29 2HB ASP 29 -0.453 4.379 -20.787 234 HB3 ASP 29 1HB ASP 29 -0.758 2.949 -19.812 235 H ASP 30 H ASP 30 1.714 5.773 -19.707 236 HA ASP 30 HA ASP 30 3.585 3.699 -19.543 237 HB2 ASP 30 2HB ASP 30 3.932 5.567 -21.040 238 HB3 ASP 30 1HB ASP 30 4.005 6.690 -19.687 239 H SER 31 H SER 31 3.202 6.534 -17.454 240 HA SER 31 HA SER 31 5.213 5.690 -15.631 241 HB2 SER 31 2HB SER 31 2.995 7.683 -15.170 242 HB3 SER 31 1HB SER 31 4.529 7.581 -14.305 243 HG SER 31 HG SER 31 4.057 8.307 -17.006 244 H LEU 32 H LEU 32 1.735 5.270 -15.829 245 HA LEU 32 HA LEU 32 1.219 4.608 -13.151 246 HB2 LEU 32 2HB LEU 32 -0.488 5.169 -14.858 247 HB3 LEU 32 1HB LEU 32 -0.204 3.619 -15.620 248 HG LEU 32 HG LEU 32 -0.914 2.560 -13.420 249 HD11 LEU 32 1HD1 LEU 32 -1.918 5.353 -12.922 250 HD12 LEU 32 2HD1 LEU 32 -0.665 4.516 -12.007 251 HD13 LEU 32 3HD1 LEU 32 -2.327 3.924 -11.972 252 HD21 LEU 32 1HD2 LEU 32 -2.932 4.183 -14.967 253 HD22 LEU 32 2HD2 LEU 32 -3.290 2.800 -13.932 254 HD23 LEU 32 3HD2 LEU 32 -2.335 2.580 -15.398 255 H GLU 33 H GLU 33 1.902 2.511 -15.940 256 HA GLU 33 HA GLU 33 1.689 0.102 -14.486 257 HB2 GLU 33 2HB GLU 33 3.144 0.638 -17.073 258 HB3 GLU 33 1HB GLU 33 2.742 -0.952 -16.437 259 HG2 GLU 33 2HG GLU 33 0.336 -0.294 -16.524 260 HG3 GLU 33 1HG GLU 33 0.831 1.182 -17.350 261 H GLN 34 H GLN 34 4.462 2.130 -15.292 262 HA GLN 34 HA GLN 34 6.425 0.327 -14.348 263 HB2 GLN 34 2HB GLN 34 6.525 3.314 -14.746 264 HB3 GLN 34 1HB GLN 34 7.924 2.330 -14.340 265 HG2 GLN 34 2HG GLN 34 7.560 1.032 -16.413 266 HG3 GLN 34 1HG GLN 34 6.240 2.124 -16.825 267 HE21 GLN 34 1HE2 GLN 34 6.701 4.214 -17.449 268 HE22 GLN 34 2HE2 GLN 34 8.288 4.715 -17.913 269 H VAL 35 H VAL 35 4.733 3.010 -12.784 270 HA VAL 35 HA VAL 35 6.210 2.970 -10.394 271 HB VAL 35 HB VAL 35 3.386 3.940 -10.911 272 HG11 VAL 35 1HG1 VAL 35 3.562 5.142 -8.777 273 HG12 VAL 35 2HG1 VAL 35 5.110 4.357 -8.463 274 HG13 VAL 35 3HG1 VAL 35 3.632 3.397 -8.535 275 HG21 VAL 35 1HG2 VAL 35 4.442 6.150 -10.830 276 HG22 VAL 35 2HG2 VAL 35 5.136 5.144 -12.102 277 HG23 VAL 35 3HG2 VAL 35 6.012 5.386 -10.591 278 H LEU 36 H LEU 36 3.520 1.002 -11.476 279 HA LEU 36 HA LEU 36 2.692 -0.045 -9.014 280 HB2 LEU 36 2HB LEU 36 2.794 -1.455 -11.685 281 HB3 LEU 36 1HB LEU 36 1.872 -1.986 -10.295 282 HG LEU 36 HG LEU 36 1.394 0.554 -11.857 283 HD11 LEU 36 1HD1 LEU 36 0.790 -1.452 -13.103 284 HD12 LEU 36 2HD1 LEU 36 -0.642 -0.550 -12.611 285 HD13 LEU 36 3HD1 LEU 36 -0.181 -2.013 -11.742 286 HD21 LEU 36 1HD2 LEU 36 -0.145 -0.665 -9.564 287 HD22 LEU 36 2HD2 LEU 36 -0.655 0.729 -10.518 288 HD23 LEU 36 3HD2 LEU 36 0.792 0.829 -9.515 289 H GLU 37 H GLU 37 5.332 -1.029 -11.168 290 HA GLU 37 HA GLU 37 6.112 -3.327 -9.688 291 HB2 GLU 37 2HB GLU 37 7.818 -1.556 -11.449 292 HB3 GLU 37 1HB GLU 37 8.229 -3.175 -10.914 293 HG2 GLU 37 2HG GLU 37 6.201 -3.982 -12.159 294 HG3 GLU 37 1HG GLU 37 6.075 -2.359 -12.839 295 H GLU 38 H GLU 38 7.072 0.045 -9.661 296 HA GLU 38 HA GLU 38 9.195 -0.169 -7.839 297 HB2 GLU 38 2HB GLU 38 7.423 2.200 -8.446 298 HB3 GLU 38 1HB GLU 38 8.966 2.278 -7.609 299 HG2 GLU 38 2HG GLU 38 10.078 1.411 -9.620 300 HG3 GLU 38 1HG GLU 38 8.526 1.393 -10.451 301 H ILE 39 H ILE 39 5.762 0.473 -7.370 302 HA ILE 39 HA ILE 39 5.870 1.008 -4.613 303 HB ILE 39 HB ILE 39 3.628 -0.216 -6.241 304 HG12 ILE 39 2HG1 ILE 39 4.081 2.614 -5.268 305 HG13 ILE 39 1HG1 ILE 39 4.302 2.056 -6.923 306 HG21 ILE 39 1HG2 ILE 39 2.154 0.419 -4.385 307 HG22 ILE 39 2HG2 ILE 39 3.560 0.923 -3.447 308 HG23 ILE 39 3HG2 ILE 39 3.356 -0.772 -3.887 309 HD11 ILE 39 1HD1 ILE 39 2.197 3.235 -6.656 310 HD12 ILE 39 2HD1 ILE 39 1.704 2.097 -5.402 311 HD13 ILE 39 3HD1 ILE 39 1.921 1.541 -7.062 312 H GLU 40 H GLU 40 5.642 -2.029 -6.403 313 HA GLU 40 HA GLU 40 5.183 -3.657 -4.135 314 HB2 GLU 40 2HB GLU 40 6.331 -4.341 -6.834 315 HB3 GLU 40 1HB GLU 40 5.998 -5.535 -5.588 316 HG2 GLU 40 2HG GLU 40 3.611 -4.503 -5.630 317 HG3 GLU 40 1HG GLU 40 4.103 -3.925 -7.222 318 H GLU 41 H GLU 41 8.096 -2.547 -5.726 319 HA GLU 41 HA GLU 41 9.969 -4.092 -4.334 320 HB2 GLU 41 2HB GLU 41 10.364 -2.544 -6.319 321 HB3 GLU 41 1HB GLU 41 10.364 -1.216 -5.169 322 HG2 GLU 41 2HG GLU 41 12.624 -1.862 -5.680 323 HG3 GLU 41 1HG GLU 41 12.256 -2.251 -3.999 324 H LEU 42 H LEU 42 8.441 -1.005 -3.563 325 HA LEU 42 HA LEU 42 9.802 -0.575 -1.116 326 HB2 LEU 42 2HB LEU 42 7.117 0.465 -2.014 327 HB3 LEU 42 1HB LEU 42 8.056 1.088 -0.673 328 HG LEU 42 HG LEU 42 8.861 1.190 -3.580 329 HD11 LEU 42 1HD1 LEU 42 8.496 3.594 -3.365 330 HD12 LEU 42 2HD1 LEU 42 7.923 3.361 -1.713 331 HD13 LEU 42 3HD1 LEU 42 7.013 2.688 -3.065 332 HD21 LEU 42 1HD2 LEU 42 10.684 2.632 -2.791 333 HD22 LEU 42 2HD2 LEU 42 10.802 1.005 -2.125 334 HD23 LEU 42 3HD2 LEU 42 10.199 2.326 -1.124 335 H ILE 43 H ILE 43 6.722 -2.110 -1.948 336 HA ILE 43 HA ILE 43 5.805 -2.601 0.666 337 HB ILE 43 HB ILE 43 5.323 -4.237 -1.844 338 HG12 ILE 43 2HG1 ILE 43 3.610 -2.122 -0.516 339 HG13 ILE 43 1HG1 ILE 43 4.574 -1.877 -1.968 340 HG21 ILE 43 1HG2 ILE 43 3.359 -5.142 -0.675 341 HG22 ILE 43 2HG2 ILE 43 3.838 -4.280 0.786 342 HG23 ILE 43 3HG2 ILE 43 4.860 -5.567 0.148 343 HD11 ILE 43 1HD1 ILE 43 2.267 -3.793 -1.696 344 HD12 ILE 43 2HD1 ILE 43 3.216 -3.511 -3.155 345 HD13 ILE 43 3HD1 ILE 43 2.219 -2.219 -2.488 346 H GLN 44 H GLN 44 7.894 -4.499 -1.472 347 HA GLN 44 HA GLN 44 8.192 -6.746 0.174 348 HB2 GLN 44 2HB GLN 44 8.841 -6.619 -2.222 349 HB3 GLN 44 1HB GLN 44 10.180 -5.571 -1.779 350 HG2 GLN 44 2HG GLN 44 11.197 -7.333 -0.509 351 HG3 GLN 44 1HG GLN 44 9.811 -8.382 -0.798 352 HE21 GLN 44 1HE2 GLN 44 11.158 -6.267 -3.233 353 HE22 GLN 44 2HE2 GLN 44 11.787 -7.515 -4.241 354 H LYS 45 H LYS 45 9.878 -3.666 0.037 355 HA LYS 45 HA LYS 45 11.918 -4.229 1.893 356 HB2 LYS 45 2HB LYS 45 12.063 -2.266 0.497 357 HB3 LYS 45 1HB LYS 45 10.554 -1.637 1.142 358 HG2 LYS 45 2HG LYS 45 11.621 -1.383 3.340 359 HG3 LYS 45 1HG LYS 45 13.135 -1.967 2.649 360 HD2 LYS 45 2HD LYS 45 13.229 -0.081 1.147 361 HD3 LYS 45 1HD LYS 45 11.640 0.467 1.684 362 HE2 LYS 45 2HE LYS 45 13.427 1.760 2.730 363 HE3 LYS 45 1HE LYS 45 12.514 0.845 3.927 364 HZ1 LYS 45 1HZ LYS 45 14.871 0.707 4.348 365 HZ2 LYS 45 2HZ LYS 45 15.160 0.096 2.801 366 HZ3 LYS 45 3HZ LYS 45 14.286 -0.819 3.922 367 H HIS 46 H HIS 46 8.662 -2.906 2.260 368 HA HIS 46 HA HIS 46 8.732 -2.460 5.034 369 HB2 HIS 46 2HB HIS 46 6.986 -1.535 3.557 370 HB3 HIS 46 1HB HIS 46 6.360 -3.156 3.279 371 HD1 HIS 46 1HD HIS 46 4.534 -3.894 4.855 372 HD2 HIS 46 2HD HIS 46 6.737 -0.707 6.349 373 HE1 HIS 46 1HE HIS 46 3.384 -3.173 6.989 374 H ARG 47 H ARG 47 7.838 -5.287 3.119 375 HA ARG 47 HA ARG 47 6.938 -6.923 5.216 376 HB2 ARG 47 2HB ARG 47 8.230 -7.669 2.586 377 HB3 ARG 47 1HB ARG 47 7.480 -8.824 3.674 378 HG2 ARG 47 2HG ARG 47 5.950 -6.489 2.575 379 HG3 ARG 47 1HG ARG 47 6.128 -7.988 1.666 380 HD2 ARG 47 2HD ARG 47 4.029 -7.974 2.904 381 HD3 ARG 47 1HD ARG 47 5.099 -9.229 3.512 382 HE ARG 47 HE ARG 47 5.540 -7.840 5.437 383 HH11 ARG 47 1HH1 ARG 47 2.772 -6.900 3.468 384 HH12 ARG 47 2HH1 ARG 47 2.039 -5.984 4.738 385 HH21 ARG 47 1HH2 ARG 47 4.613 -6.641 7.066 386 HH22 ARG 47 2HH2 ARG 47 3.093 -5.827 6.826 387 H GLN 48 H GLN 48 10.156 -6.267 3.980 388 HA GLN 48 HA GLN 48 11.454 -8.306 5.454 389 HB2 GLN 48 2HB GLN 48 12.455 -7.154 3.492 390 HB3 GLN 48 1HB GLN 48 12.609 -5.696 4.465 391 HG2 GLN 48 2HG GLN 48 13.961 -7.155 6.079 392 HG3 GLN 48 1HG GLN 48 14.060 -8.298 4.744 393 HE21 GLN 48 1HE2 GLN 48 16.157 -6.831 6.073 394 HE22 GLN 48 2HE2 GLN 48 16.962 -5.908 4.855 395 H LEU 49 H LEU 49 10.847 -4.873 6.076 396 HA LEU 49 HA LEU 49 12.352 -4.855 8.500 397 HB2 LEU 49 2HB LEU 49 10.388 -2.866 7.396 398 HB3 LEU 49 1HB LEU 49 11.371 -2.605 8.822 399 HG LEU 49 HG LEU 49 12.430 -3.019 6.025 400 HD11 LEU 49 1HD1 LEU 49 12.270 -0.535 7.724 401 HD12 LEU 49 2HD1 LEU 49 11.301 -0.876 6.291 402 HD13 LEU 49 3HD1 LEU 49 13.046 -0.662 6.145 403 HD21 LEU 49 1HD2 LEU 49 13.837 -2.378 8.618 404 HD22 LEU 49 2HD2 LEU 49 14.584 -2.341 7.022 405 HD23 LEU 49 3HD2 LEU 49 13.986 -3.864 7.678 406 H PHE 50 H PHE 50 8.843 -4.820 7.858 407 HA PHE 50 HA PHE 50 8.210 -4.614 10.647 408 HB2 PHE 50 2HB PHE 50 6.747 -3.670 8.921 409 HB3 PHE 50 1HB PHE 50 6.429 -5.283 8.298 410 HD1 PHE 50 1HD PHE 50 5.976 -3.082 11.237 411 HD2 PHE 50 2HD PHE 50 4.738 -6.626 9.230 412 HE1 PHE 50 1HE PHE 50 4.067 -3.284 12.778 413 HE2 PHE 50 2HE PHE 50 2.829 -6.834 10.767 414 HZ PHE 50 HZ PHE 50 2.491 -5.163 12.543 415 H ASP 51 H ASP 51 7.954 -7.246 8.292 416 HA ASP 51 HA ASP 51 6.808 -9.081 10.104 417 HB2 ASP 51 2HB ASP 51 8.267 -9.544 7.503 418 HB3 ASP 51 1HB ASP 51 7.399 -10.793 8.388 419 H ASN 52 H ASN 52 10.065 -8.131 9.516 420 HA ASN 52 HA ASN 52 11.409 -10.409 10.504 421 HB2 ASN 52 2HB ASN 52 12.583 -8.691 9.242 422 HB3 ASN 52 1HB ASN 52 12.254 -7.508 10.499 423 HD21 ASN 52 1HD2 ASN 52 14.143 -10.259 9.584 424 HD22 ASN 52 2HD2 ASN 52 15.303 -10.144 10.860 425 H ARG 53 H ARG 53 10.167 -7.519 12.108 426 HA ARG 53 HA ARG 53 11.309 -8.209 14.648 427 HB2 ARG 53 2HB ARG 53 9.420 -6.064 13.735 428 HB3 ARG 53 1HB ARG 53 9.655 -6.359 15.449 429 HG2 ARG 53 2HG ARG 53 11.084 -4.558 14.762 430 HG3 ARG 53 1HG ARG 53 12.086 -5.957 15.141 431 HD2 ARG 53 2HD ARG 53 12.219 -6.477 12.736 432 HD3 ARG 53 1HD ARG 53 11.264 -5.037 12.389 433 HE ARG 53 HE ARG 53 13.452 -4.228 13.896 434 HH11 ARG 53 1HH1 ARG 53 12.826 -5.616 10.740 435 HH12 ARG 53 2HH1 ARG 53 14.273 -4.987 10.029 436 HH21 ARG 53 1HH2 ARG 53 15.352 -3.362 12.953 437 HH22 ARG 53 2HH2 ARG 53 15.705 -3.680 11.291 438 H GLN 54 H GLN 54 8.271 -8.741 13.047 439 HA GLN 54 HA GLN 54 6.478 -10.046 13.502 440 HB2 GLN 54 2HB GLN 54 8.179 -11.100 15.766 441 HB3 GLN 54 1HB GLN 54 6.625 -11.769 15.299 442 HG2 GLN 54 2HG GLN 54 7.543 -12.328 13.099 443 HG3 GLN 54 1HG GLN 54 9.106 -11.680 13.600 444 HE21 GLN 54 1HE2 GLN 54 10.135 -13.642 13.356 445 HE22 GLN 54 2HE2 GLN 54 9.891 -14.964 14.441 446 H GLU 55 H GLU 55 7.578 -9.589 16.827 447 HA GLU 55 HA GLU 55 6.735 -8.554 18.637 448 HB2 GLU 55 2HB GLU 55 6.569 -6.562 17.119 449 HB3 GLU 55 1HB GLU 55 4.905 -7.018 16.787 450 HG2 GLU 55 2HG GLU 55 5.033 -5.261 18.459 451 HG3 GLU 55 1HG GLU 55 4.341 -6.735 19.132 452 H ALA 56 H ALA 56 4.056 -9.151 16.385 453 HA ALA 56 HA ALA 56 2.480 -10.239 18.599 454 HB1 ALA 56 1HB ALA 56 1.422 -8.565 17.146 455 HB2 ALA 56 2HB ALA 56 0.590 -10.117 17.066 456 HB3 ALA 56 3HB ALA 56 1.665 -9.624 15.758 457 H ALA 57 H ALA 57 0.873 -12.035 17.325 458 HA ALA 57 HA ALA 57 2.521 -14.338 17.150 459 HB1 ALA 57 1HB ALA 57 0.466 -15.541 16.692 460 HB2 ALA 57 2HB ALA 57 -0.375 -14.029 16.360 461 HB3 ALA 57 3HB ALA 57 0.199 -14.378 17.990 462 H ASP 58 H ASP 58 2.855 -15.718 15.332 463 HA ASP 58 HA ASP 58 3.619 -14.335 13.005 464 HB2 ASP 58 2HB ASP 58 4.153 -16.518 12.040 465 HB3 ASP 58 1HB ASP 58 4.710 -16.429 13.705 466 H THR 59 H THR 59 0.721 -16.218 13.734 467 HA THR 59 HA THR 59 -0.299 -16.224 11.104 468 HB THR 59 HB THR 59 -1.878 -16.327 13.682 469 HG1 THR 59 1HG THR 59 -0.431 -18.287 12.215 470 HG21 THR 59 1HG2 THR 59 -3.253 -15.961 11.678 471 HG22 THR 59 2HG2 THR 59 -3.509 -17.579 12.332 472 HG23 THR 59 3HG2 THR 59 -2.499 -17.355 10.905 473 H GLU 60 H GLU 60 -0.606 -13.930 13.776 474 HA GLU 60 HA GLU 60 -2.513 -12.274 12.454 475 HB2 GLU 60 2HB GLU 60 -2.225 -12.247 14.911 476 HB3 GLU 60 1HB GLU 60 -0.611 -11.578 14.708 477 HG2 GLU 60 2HG GLU 60 -1.501 -9.550 13.793 478 HG3 GLU 60 1HG GLU 60 -3.128 -10.224 13.765 479 H ALA 61 H ALA 61 0.996 -12.276 12.768 480 HA ALA 61 HA ALA 61 1.507 -9.881 11.391 481 HB1 ALA 61 1HB ALA 61 3.232 -12.353 11.582 482 HB2 ALA 61 2HB ALA 61 3.198 -11.028 12.745 483 HB3 ALA 61 3HB ALA 61 3.779 -10.747 11.103 484 H ALA 62 H ALA 62 1.032 -13.187 10.287 485 HA ALA 62 HA ALA 62 1.602 -12.634 7.554 486 HB1 ALA 62 1HB ALA 62 0.632 -14.825 7.113 487 HB2 ALA 62 2HB ALA 62 -0.008 -14.883 8.756 488 HB3 ALA 62 3HB ALA 62 1.734 -14.894 8.488 489 H LYS 63 H LYS 63 -1.295 -12.581 9.540 490 HA LYS 63 HA LYS 63 -3.148 -12.515 7.438 491 HB2 LYS 63 2HB LYS 63 -3.627 -13.067 9.861 492 HB3 LYS 63 1HB LYS 63 -3.620 -11.336 10.169 493 HG2 LYS 63 2HG LYS 63 -5.893 -12.229 9.872 494 HG3 LYS 63 1HG LYS 63 -5.484 -11.022 8.647 495 HD2 LYS 63 2HD LYS 63 -4.956 -12.819 7.061 496 HD3 LYS 63 1HD LYS 63 -5.364 -14.018 8.287 497 HE2 LYS 63 2HE LYS 63 -7.656 -13.296 8.282 498 HE3 LYS 63 1HE LYS 63 -7.271 -11.956 7.199 499 HZ1 LYS 63 1HZ LYS 63 -7.040 -14.843 6.538 500 HZ2 LYS 63 2HZ LYS 63 -6.628 -13.567 5.507 501 HZ3 LYS 63 3HZ LYS 63 -8.237 -13.792 5.969 502 H GLN 64 H GLN 64 -1.534 -9.865 9.176 503 HA GLN 64 HA GLN 64 -3.085 -7.827 7.991 504 HB2 GLN 64 2HB GLN 64 -1.231 -6.268 8.626 505 HB3 GLN 64 1HB GLN 64 -1.805 -7.265 9.948 506 HG2 GLN 64 2HG GLN 64 0.477 -7.302 10.241 507 HG3 GLN 64 1HG GLN 64 0.194 -8.793 9.351 508 HE21 GLN 64 1HE2 GLN 64 2.241 -8.898 8.544 509 HE22 GLN 64 2HE2 GLN 64 2.853 -7.818 7.340 510 H GLY 65 H GLY 65 -0.210 -9.503 6.916 511 HA2 GLY 65 2HA GLY 65 0.224 -7.896 4.605 512 HA3 GLY 65 1HA GLY 65 0.858 -9.516 4.883 513 H ASP 66 H ASP 66 -1.513 -10.871 5.272 514 HA ASP 66 HA ASP 66 -2.240 -11.588 2.668 515 HB2 ASP 66 2HB ASP 66 -2.504 -13.213 4.356 516 HB3 ASP 66 1HB ASP 66 -3.445 -12.127 5.370 517 H GLN 67 H GLN 67 -3.885 -9.520 5.016 518 HA GLN 67 HA GLN 67 -6.225 -9.123 3.476 519 HB2 GLN 67 2HB GLN 67 -4.997 -7.441 5.660 520 HB3 GLN 67 1HB GLN 67 -6.583 -7.143 4.963 521 HG2 GLN 67 2HG GLN 67 -5.739 -9.640 6.418 522 HG3 GLN 67 1HG GLN 67 -6.740 -8.344 7.074 523 HE21 GLN 67 1HE2 GLN 67 -6.602 -11.032 4.865 524 HE22 GLN 67 2HE2 GLN 67 -8.304 -11.138 4.582 525 H TRP 68 H TRP 68 -3.154 -7.401 3.651 526 HA TRP 68 HA TRP 68 -3.946 -5.240 2.026 527 HB2 TRP 68 2HB TRP 68 -2.052 -5.018 3.484 528 HB3 TRP 68 1HB TRP 68 -1.245 -6.384 2.726 529 HD1 TRP 68 HD TRP 68 0.639 -5.629 1.283 530 HE1 TRP 68 1HE TRP 68 1.151 -3.611 -0.245 531 HE3 TRP 68 3HE TRP 68 -3.709 -3.043 1.901 532 HZ2 TRP 68 2HZ TRP 68 -0.139 -1.241 -1.069 533 HZ3 TRP 68 3HZ TRP 68 -4.000 -0.913 0.708 534 HH2 TRP 68 HH TRP 68 -2.250 -0.033 -0.746 535 H VAL 69 H VAL 69 -2.425 -8.363 1.383 536 HA VAL 69 HA VAL 69 -1.896 -7.994 -1.348 537 HB VAL 69 HB VAL 69 -2.601 -10.576 0.083 538 HG11 VAL 69 1HG1 VAL 69 -2.867 -10.803 -2.329 539 HG12 VAL 69 2HG1 VAL 69 -1.446 -11.690 -1.779 540 HG13 VAL 69 3HG1 VAL 69 -1.256 -10.134 -2.585 541 HG21 VAL 69 1HG2 VAL 69 0.075 -9.341 -0.555 542 HG22 VAL 69 2HG2 VAL 69 -0.179 -10.927 0.173 543 HG23 VAL 69 3HG2 VAL 69 -0.656 -9.470 1.044 544 H GLN 70 H GLN 70 -4.810 -9.038 0.347 545 HA GLN 70 HA GLN 70 -6.299 -9.816 -1.906 546 HB2 GLN 70 2HB GLN 70 -6.921 -10.322 0.452 547 HB3 GLN 70 1HB GLN 70 -7.340 -8.630 0.675 548 HG2 GLN 70 2HG GLN 70 -9.040 -8.854 -1.095 549 HG3 GLN 70 1HG GLN 70 -8.660 -10.570 -1.208 550 HE21 GLN 70 1HE2 GLN 70 -10.694 -11.222 -0.614 551 HE22 GLN 70 2HE2 GLN 70 -11.307 -11.046 0.993 552 H LEU 71 H LEU 71 -5.977 -6.697 -0.250 553 HA LEU 71 HA LEU 71 -7.793 -5.301 -1.912 554 HB2 LEU 71 2HB LEU 71 -5.576 -4.429 -0.090 555 HB3 LEU 71 1HB LEU 71 -6.418 -3.265 -1.092 556 HG LEU 71 HG LEU 71 -7.770 -5.043 0.942 557 HD11 LEU 71 1HD1 LEU 71 -6.247 -3.443 2.011 558 HD12 LEU 71 2HD1 LEU 71 -7.938 -3.044 2.315 559 HD13 LEU 71 3HD1 LEU 71 -7.019 -2.129 1.122 560 HD21 LEU 71 1HD2 LEU 71 -8.744 -2.661 -0.632 561 HD22 LEU 71 2HD2 LEU 71 -9.654 -3.510 0.617 562 HD23 LEU 71 3HD2 LEU 71 -9.232 -4.338 -0.881 563 H PHE 72 H PHE 72 -4.283 -5.722 -2.030 564 HA PHE 72 HA PHE 72 -3.819 -4.052 -4.247 565 HB2 PHE 72 2HB PHE 72 -2.044 -4.891 -2.719 566 HB3 PHE 72 1HB PHE 72 -2.244 -6.498 -3.406 567 HD1 PHE 72 1HD PHE 72 -1.171 -3.046 -4.131 568 HD2 PHE 72 2HD PHE 72 -1.223 -7.088 -5.463 569 HE1 PHE 72 1HE PHE 72 0.470 -2.488 -5.877 570 HE2 PHE 72 2HE PHE 72 0.417 -6.536 -7.211 571 HZ PHE 72 HZ PHE 72 1.265 -4.235 -7.420 572 H GLN 73 H GLN 73 -4.505 -7.519 -4.017 573 HA GLN 73 HA GLN 73 -4.259 -8.138 -6.748 574 HB2 GLN 73 2HB GLN 73 -4.344 -9.823 -4.956 575 HB3 GLN 73 1HB GLN 73 -6.026 -9.418 -4.657 576 HG2 GLN 73 2HG GLN 73 -6.573 -10.158 -6.947 577 HG3 GLN 73 1HG GLN 73 -4.891 -10.645 -7.159 578 HE21 GLN 73 1HE2 GLN 73 -7.322 -12.246 -7.226 579 HE22 GLN 73 2HE2 GLN 73 -7.117 -13.468 -6.025 580 H ARG 74 H ARG 74 -7.066 -7.193 -4.802 581 HA ARG 74 HA ARG 74 -8.976 -7.313 -6.866 582 HB2 ARG 74 2HB ARG 74 -9.651 -7.254 -4.542 583 HB3 ARG 74 1HB ARG 74 -8.904 -5.681 -4.322 584 HG2 ARG 74 2HG ARG 74 -10.548 -4.669 -5.796 585 HG3 ARG 74 1HG ARG 74 -11.274 -6.250 -6.092 586 HD2 ARG 74 2HD ARG 74 -12.014 -6.435 -3.850 587 HD3 ARG 74 1HD ARG 74 -11.013 -5.080 -3.332 588 HE ARG 74 HE ARG 74 -13.206 -4.633 -5.234 589 HH11 ARG 74 1HH1 ARG 74 -11.862 -4.183 -2.021 590 HH12 ARG 74 2HH1 ARG 74 -12.856 -2.812 -1.648 591 HH21 ARG 74 1HH2 ARG 74 -14.554 -2.808 -4.722 592 HH22 ARG 74 2HH2 ARG 74 -14.361 -2.031 -3.180 593 H PHE 75 H PHE 75 -6.829 -4.746 -5.775 594 HA PHE 75 HA PHE 75 -7.885 -2.694 -7.400 595 HB2 PHE 75 2HB PHE 75 -6.414 -2.296 -5.438 596 HB3 PHE 75 1HB PHE 75 -5.070 -3.002 -6.324 597 HD1 PHE 75 1HD PHE 75 -7.592 -0.276 -6.611 598 HD2 PHE 75 2HD PHE 75 -3.644 -1.600 -7.476 599 HE1 PHE 75 1HE PHE 75 -7.052 1.947 -7.511 600 HE2 PHE 75 2HE PHE 75 -3.095 0.622 -8.381 601 HZ PHE 75 HZ PHE 75 -4.800 2.399 -8.399 602 H ARG 76 H ARG 76 -5.183 -4.935 -7.842 603 HA ARG 76 HA ARG 76 -4.385 -4.024 -10.388 604 HB2 ARG 76 2HB ARG 76 -3.049 -5.493 -8.832 605 HB3 ARG 76 1HB ARG 76 -4.106 -6.825 -9.255 606 HG2 ARG 76 2HG ARG 76 -2.495 -5.351 -11.331 607 HG3 ARG 76 1HG ARG 76 -1.830 -6.696 -10.408 608 HD2 ARG 76 2HD ARG 76 -4.224 -6.756 -12.248 609 HD3 ARG 76 1HD ARG 76 -2.657 -7.510 -12.528 610 HE ARG 76 HE ARG 76 -3.318 -8.772 -10.338 611 HH11 ARG 76 1HH1 ARG 76 -5.371 -7.982 -13.061 612 HH12 ARG 76 2HH1 ARG 76 -6.503 -9.261 -12.754 613 HH21 ARG 76 1HH2 ARG 76 -4.780 -10.489 -9.946 614 HH22 ARG 76 2HH2 ARG 76 -6.155 -10.702 -10.980 615 H GLU 77 H GLU 77 -6.769 -6.383 -9.335 616 HA GLU 77 HA GLU 77 -7.310 -7.592 -11.798 617 HB2 GLU 77 2HB GLU 77 -8.078 -8.275 -9.444 618 HB3 GLU 77 1HB GLU 77 -9.393 -7.131 -9.676 619 HG2 GLU 77 2HG GLU 77 -10.137 -9.350 -10.216 620 HG3 GLU 77 1HG GLU 77 -10.085 -8.372 -11.684 621 H ALA 78 H ALA 78 -8.811 -4.788 -10.232 622 HA ALA 78 HA ALA 78 -10.732 -4.306 -12.232 623 HB1 ALA 78 1HB ALA 78 -10.905 -3.348 -9.999 624 HB2 ALA 78 2HB ALA 78 -10.950 -2.084 -11.229 625 HB3 ALA 78 3HB ALA 78 -9.476 -2.361 -10.302 626 H ILE 79 H ILE 79 -7.396 -3.243 -11.849 627 HA ILE 79 HA ILE 79 -7.366 -1.368 -13.971 628 HB ILE 79 HB ILE 79 -5.075 -3.008 -12.848 629 HG12 ILE 79 2HG1 ILE 79 -5.952 -0.177 -12.232 630 HG13 ILE 79 1HG1 ILE 79 -6.181 -1.568 -11.178 631 HG21 ILE 79 1HG2 ILE 79 -5.012 -0.529 -14.573 632 HG22 ILE 79 2HG2 ILE 79 -4.537 -2.155 -15.064 633 HG23 ILE 79 3HG2 ILE 79 -3.608 -1.300 -13.833 634 HD11 ILE 79 1HD1 ILE 79 -4.303 -0.213 -10.458 635 HD12 ILE 79 2HD1 ILE 79 -3.536 -0.415 -12.033 636 HD13 ILE 79 3HD1 ILE 79 -3.760 -1.809 -10.976 637 H ASP 80 H ASP 80 -6.566 -4.811 -13.797 638 HA ASP 80 HA ASP 80 -5.756 -5.059 -16.500 639 HB2 ASP 80 2HB ASP 80 -5.072 -6.710 -14.850 640 HB3 ASP 80 1HB ASP 80 -6.750 -7.165 -14.569 641 H LYS 81 H LYS 81 -8.853 -5.354 -14.891 642 HA LYS 81 HA LYS 81 -10.231 -6.370 -17.184 643 HB2 LYS 81 2HB LYS 81 -11.051 -6.880 -14.983 644 HB3 LYS 81 1HB LYS 81 -11.133 -5.179 -14.562 645 HG2 LYS 81 2HG LYS 81 -12.901 -4.906 -16.286 646 HG3 LYS 81 1HG LYS 81 -12.871 -6.656 -16.517 647 HD2 LYS 81 2HD LYS 81 -13.547 -7.035 -14.268 648 HD3 LYS 81 1HD LYS 81 -13.343 -5.331 -13.865 649 HE2 LYS 81 2HE LYS 81 -15.707 -5.897 -14.163 650 HE3 LYS 81 1HE LYS 81 -15.166 -4.739 -15.375 651 HZ1 LYS 81 1HZ LYS 81 -14.983 -6.543 -16.968 652 HZ2 LYS 81 2HZ LYS 81 -16.546 -6.479 -16.328 653 HZ3 LYS 81 3HZ LYS 81 -15.466 -7.661 -15.795 654 H GLY 82 H GLY 82 -9.107 -3.300 -16.241 655 HA2 GLY 82 2HA GLY 82 -9.318 -1.229 -17.217 656 HA3 GLY 82 1HA GLY 82 -10.214 -2.003 -18.518 657 H ASP 83 H ASP 83 -11.111 -2.178 -15.143 658 HA ASP 83 HA ASP 83 -13.620 -0.855 -15.858 659 HB2 ASP 83 2HB ASP 83 -13.813 -3.134 -14.958 660 HB3 ASP 83 1HB ASP 83 -13.019 -2.609 -13.476 661 H LYS 84 H LYS 84 -13.255 1.254 -15.605 662 HA LYS 84 HA LYS 84 -11.756 2.399 -13.500 663 HB2 LYS 84 2HB LYS 84 -13.823 3.677 -15.289 664 HB3 LYS 84 1HB LYS 84 -12.691 4.542 -14.260 665 HG2 LYS 84 2HG LYS 84 -10.827 3.616 -15.553 666 HG3 LYS 84 1HG LYS 84 -11.978 2.775 -16.592 667 HD2 LYS 84 2HD LYS 84 -11.363 4.754 -17.735 668 HD3 LYS 84 1HD LYS 84 -12.985 5.029 -17.103 669 HE2 LYS 84 2HE LYS 84 -11.716 7.008 -16.702 670 HE3 LYS 84 1HE LYS 84 -11.937 6.201 -15.152 671 HZ1 LYS 84 1HZ LYS 84 -9.685 6.926 -15.325 672 HZ2 LYS 84 2HZ LYS 84 -9.499 6.203 -16.839 673 HZ3 LYS 84 3HZ LYS 84 -9.677 5.238 -15.468 674 H ASP 85 H ASP 85 -15.042 1.380 -13.778 675 HA ASP 85 HA ASP 85 -16.270 2.973 -11.834 676 HB2 ASP 85 2HB ASP 85 -17.618 1.587 -13.265 677 HB3 ASP 85 1HB ASP 85 -16.823 0.127 -12.692 678 H SER 86 H SER 86 -14.711 -0.216 -11.482 679 HA SER 86 HA SER 86 -14.955 -0.211 -8.651 680 HB2 SER 86 2HB SER 86 -13.034 -1.792 -10.373 681 HB3 SER 86 1HB SER 86 -13.467 -2.143 -8.699 682 HG SER 86 HG SER 86 -15.126 -2.215 -10.994 683 H LEU 87 H LEU 87 -12.471 0.857 -10.907 684 HA LEU 87 HA LEU 87 -10.355 1.190 -9.100 685 HB2 LEU 87 2HB LEU 87 -10.997 2.720 -11.616 686 HB3 LEU 87 1HB LEU 87 -9.491 2.875 -10.737 687 HG LEU 87 HG LEU 87 -10.493 0.349 -12.052 688 HD11 LEU 87 1HD1 LEU 87 -9.815 2.049 -13.674 689 HD12 LEU 87 2HD1 LEU 87 -8.675 0.706 -13.635 690 HD13 LEU 87 3HD1 LEU 87 -8.273 2.228 -12.840 691 HD21 LEU 87 1HD2 LEU 87 -8.253 -0.504 -11.554 692 HD22 LEU 87 2HD2 LEU 87 -9.158 -0.126 -10.089 693 HD23 LEU 87 3HD2 LEU 87 -7.898 0.972 -10.656 694 H GLU 88 H GLU 88 -12.882 3.463 -10.083 695 HA GLU 88 HA GLU 88 -11.945 5.663 -8.623 696 HB2 GLU 88 2HB GLU 88 -13.629 5.847 -10.388 697 HB3 GLU 88 1HB GLU 88 -14.778 4.955 -9.401 698 HG2 GLU 88 2HG GLU 88 -14.944 6.722 -7.842 699 HG3 GLU 88 1HG GLU 88 -13.571 7.569 -8.554 700 H GLN 89 H GLN 89 -14.137 3.048 -7.710 701 HA GLN 89 HA GLN 89 -14.700 4.048 -5.101 702 HB2 GLN 89 2HB GLN 89 -14.880 1.237 -6.199 703 HB3 GLN 89 1HB GLN 89 -15.547 1.769 -4.663 704 HG2 GLN 89 2HG GLN 89 -16.358 2.820 -7.361 705 HG3 GLN 89 1HG GLN 89 -17.236 1.611 -6.427 706 HE21 GLN 89 1HE2 GLN 89 -18.335 2.235 -4.579 707 HE22 GLN 89 2HE2 GLN 89 -18.718 3.885 -4.245 708 H LEU 90 H LEU 90 -12.377 1.788 -6.437 709 HA LEU 90 HA LEU 90 -11.271 0.813 -4.073 710 HB2 LEU 90 2HB LEU 90 -10.229 1.064 -6.864 711 HB3 LEU 90 1HB LEU 90 -9.224 0.429 -5.577 712 HG LEU 90 HG LEU 90 -11.904 -0.754 -6.267 713 HD11 LEU 90 1HD1 LEU 90 -10.534 -2.515 -7.423 714 HD12 LEU 90 2HD1 LEU 90 -9.179 -1.383 -7.357 715 HD13 LEU 90 3HD1 LEU 90 -10.634 -0.963 -8.250 716 HD21 LEU 90 1HD2 LEU 90 -9.512 -1.820 -4.770 717 HD22 LEU 90 2HD2 LEU 90 -11.011 -2.693 -5.084 718 HD23 LEU 90 3HD2 LEU 90 -11.023 -1.270 -4.046 719 H LEU 91 H LEU 91 -10.564 3.742 -5.877 720 HA LEU 91 HA LEU 91 -8.112 4.367 -4.697 721 HB2 LEU 91 2HB LEU 91 -10.292 6.200 -5.686 722 HB3 LEU 91 1HB LEU 91 -8.698 6.751 -5.213 723 HG LEU 91 HG LEU 91 -9.291 4.859 -7.493 724 HD11 LEU 91 1HD1 LEU 91 -8.619 6.730 -8.920 725 HD12 LEU 91 2HD1 LEU 91 -8.473 7.759 -7.495 726 HD13 LEU 91 3HD1 LEU 91 -10.048 7.118 -7.962 727 HD21 LEU 91 1HD2 LEU 91 -6.698 6.111 -6.578 728 HD22 LEU 91 2HD2 LEU 91 -6.917 5.200 -8.071 729 HD23 LEU 91 3HD2 LEU 91 -7.115 4.398 -6.514 730 H GLU 92 H GLU 92 -11.403 4.983 -3.562 731 HA GLU 92 HA GLU 92 -10.596 6.507 -1.297 732 HB2 GLU 92 2HB GLU 92 -13.160 5.013 -1.834 733 HB3 GLU 92 1HB GLU 92 -12.905 6.125 -0.497 734 HG2 GLU 92 2HG GLU 92 -12.485 7.929 -2.118 735 HG3 GLU 92 1HG GLU 92 -12.840 6.801 -3.425 736 H GLU 93 H GLU 93 -11.484 3.100 -1.771 737 HA GLU 93 HA GLU 93 -11.202 2.310 0.920 738 HB2 GLU 93 2HB GLU 93 -10.929 0.750 -1.648 739 HB3 GLU 93 1HB GLU 93 -10.845 0.003 -0.061 740 HG2 GLU 93 2HG GLU 93 -13.126 0.883 0.404 741 HG3 GLU 93 1HG GLU 93 -13.192 1.456 -1.263 742 H LEU 94 H LEU 94 -8.947 2.449 -1.757 743 HA LEU 94 HA LEU 94 -6.729 1.281 -0.493 744 HB2 LEU 94 2HB LEU 94 -6.922 1.626 -2.916 745 HB3 LEU 94 1HB LEU 94 -6.852 3.360 -2.681 746 HG LEU 94 HG LEU 94 -4.540 3.089 -1.788 747 HD11 LEU 94 1HD1 LEU 94 -4.659 0.782 -1.066 748 HD12 LEU 94 2HD1 LEU 94 -3.372 0.981 -2.256 749 HD13 LEU 94 3HD1 LEU 94 -4.906 0.250 -2.729 750 HD21 LEU 94 1HD2 LEU 94 -3.520 2.704 -3.980 751 HD22 LEU 94 2HD2 LEU 94 -4.934 3.750 -4.092 752 HD23 LEU 94 3HD2 LEU 94 -5.049 2.057 -4.574 753 H GLU 95 H GLU 95 -7.789 4.649 -0.822 754 HA GLU 95 HA GLU 95 -5.676 5.944 0.442 755 HB2 GLU 95 2HB GLU 95 -7.410 7.147 -0.759 756 HB3 GLU 95 1HB GLU 95 -8.627 6.608 0.385 757 HG2 GLU 95 2HG GLU 95 -8.068 8.906 0.793 758 HG3 GLU 95 1HG GLU 95 -7.528 7.912 2.144 759 H GLN 96 H GLN 96 -8.691 4.646 1.850 760 HA GLN 96 HA GLN 96 -8.105 5.361 4.479 761 HB2 GLN 96 2HB GLN 96 -10.339 4.927 3.696 762 HB3 GLN 96 1HB GLN 96 -9.909 3.278 3.273 763 HG2 GLN 96 2HG GLN 96 -11.185 3.396 5.280 764 HG3 GLN 96 1HG GLN 96 -9.573 2.746 5.574 765 HE21 GLN 96 1HE2 GLN 96 -9.645 3.269 7.759 766 HE22 GLN 96 2HE2 GLN 96 -9.511 4.894 8.329 767 H ALA 97 H ALA 97 -7.508 2.459 2.557 768 HA ALA 97 HA ALA 97 -6.622 0.795 4.642 769 HB1 ALA 97 1HB ALA 97 -5.636 -0.583 2.891 770 HB2 ALA 97 2HB ALA 97 -5.831 0.732 1.732 771 HB3 ALA 97 3HB ALA 97 -7.252 -0.047 2.430 772 H LEU 98 H LEU 98 -4.911 3.052 2.534 773 HA LEU 98 HA LEU 98 -2.288 2.419 3.342 774 HB2 LEU 98 2HB LEU 98 -3.434 5.028 2.360 775 HB3 LEU 98 1HB LEU 98 -1.725 4.671 2.491 776 HG LEU 98 HG LEU 98 -3.652 3.209 0.699 777 HD11 LEU 98 1HD1 LEU 98 -1.595 5.310 0.051 778 HD12 LEU 98 2HD1 LEU 98 -3.345 5.515 -0.005 779 HD13 LEU 98 3HD1 LEU 98 -2.552 4.401 -1.118 780 HD21 LEU 98 1HD2 LEU 98 -0.648 3.088 0.948 781 HD22 LEU 98 2HD2 LEU 98 -1.602 2.290 -0.301 782 HD23 LEU 98 3HD2 LEU 98 -1.789 1.816 1.386 783 H GLN 99 H GLN 99 -4.593 4.822 4.517 784 HA GLN 99 HA GLN 99 -2.925 5.926 6.509 785 HB2 GLN 99 2HB GLN 99 -5.939 5.773 6.341 786 HB3 GLN 99 1HB GLN 99 -5.049 6.777 7.474 787 HG2 GLN 99 2HG GLN 99 -4.126 8.076 5.672 788 HG3 GLN 99 1HG GLN 99 -4.869 7.010 4.481 789 HE21 GLN 99 1HE2 GLN 99 -6.009 8.679 3.539 790 HE22 GLN 99 2HE2 GLN 99 -7.370 9.422 4.316 791 H LYS 100 H LYS 100 -5.241 3.304 6.459 792 HA LYS 100 HA LYS 100 -5.296 2.689 9.189 793 HB2 LYS 100 2HB LYS 100 -6.872 1.897 7.403 794 HB3 LYS 100 1HB LYS 100 -5.626 0.784 6.872 795 HG2 LYS 100 2HG LYS 100 -5.720 -0.380 8.992 796 HG3 LYS 100 1HG LYS 100 -6.904 0.784 9.598 797 HD2 LYS 100 2HD LYS 100 -8.426 0.131 7.757 798 HD3 LYS 100 1HD LYS 100 -7.259 -1.097 7.267 799 HE2 LYS 100 2HE LYS 100 -7.502 -2.204 9.419 800 HE3 LYS 100 1HE LYS 100 -8.623 -0.951 9.952 801 HZ1 LYS 100 1HZ LYS 100 -9.814 -2.898 9.205 802 HZ2 LYS 100 2HZ LYS 100 -9.059 -2.829 7.696 803 HZ3 LYS 100 3HZ LYS 100 -10.123 -1.602 8.163 804 H ILE 101 H ILE 101 -3.252 1.423 6.555 805 HA ILE 101 HA ILE 101 -1.821 -0.453 8.096 806 HB ILE 101 HB ILE 101 -0.931 1.052 5.622 807 HG12 ILE 101 2HG1 ILE 101 -2.045 -1.744 5.937 808 HG13 ILE 101 1HG1 ILE 101 -2.939 -0.358 5.321 809 HG21 ILE 101 1HG2 ILE 101 0.754 -0.716 5.349 810 HG22 ILE 101 2HG2 ILE 101 0.277 -1.402 6.901 811 HG23 ILE 101 3HG2 ILE 101 1.005 0.203 6.834 812 HD11 ILE 101 1HD1 ILE 101 -2.176 -1.788 3.517 813 HD12 ILE 101 2HD1 ILE 101 -0.507 -1.598 4.053 814 HD13 ILE 101 3HD1 ILE 101 -1.396 -0.209 3.432 815 H ARG 102 H ARG 102 -1.106 2.930 7.287 816 HA ARG 102 HA ARG 102 1.361 3.041 8.644 817 HB2 ARG 102 2HB ARG 102 0.693 4.721 6.980 818 HB3 ARG 102 1HB ARG 102 -0.585 5.282 8.047 819 HG2 ARG 102 2HG ARG 102 1.038 6.076 9.650 820 HG3 ARG 102 1HG ARG 102 2.357 5.394 8.698 821 HD2 ARG 102 2HD ARG 102 2.126 7.822 8.363 822 HD3 ARG 102 1HD ARG 102 1.868 6.916 6.873 823 HE ARG 102 HE ARG 102 -0.562 7.474 8.288 824 HH11 ARG 102 1HH1 ARG 102 1.800 8.864 6.053 825 HH12 ARG 102 2HH1 ARG 102 0.635 9.909 5.311 826 HH21 ARG 102 1HH2 ARG 102 -2.068 8.895 7.291 827 HH22 ARG 102 2HH2 ARG 102 -1.543 9.933 6.008 828 H GLU 103 H GLU 103 -1.974 3.702 9.695 829 HA GLU 103 HA GLU 103 -1.460 4.704 12.194 830 HB2 GLU 103 2HB GLU 103 -3.573 4.455 10.691 831 HB3 GLU 103 1HB GLU 103 -3.758 2.925 11.533 832 HG2 GLU 103 2HG GLU 103 -5.044 4.675 12.509 833 HG3 GLU 103 1HG GLU 103 -3.813 4.041 13.607 834 H LEU 104 H LEU 104 -1.761 1.396 10.985 835 HA LEU 104 HA LEU 104 -1.620 0.137 13.530 836 HB2 LEU 104 2HB LEU 104 -1.055 -0.909 10.758 837 HB3 LEU 104 1HB LEU 104 -1.066 -1.912 12.194 838 HG LEU 104 HG LEU 104 -3.438 -0.386 11.119 839 HD11 LEU 104 1HD1 LEU 104 -2.803 -3.331 11.053 840 HD12 LEU 104 2HD1 LEU 104 -2.811 -2.237 9.670 841 HD13 LEU 104 3HD1 LEU 104 -4.312 -2.587 10.526 842 HD21 LEU 104 1HD2 LEU 104 -3.189 -2.343 13.399 843 HD22 LEU 104 2HD2 LEU 104 -4.704 -1.701 12.769 844 HD23 LEU 104 3HD2 LEU 104 -3.539 -0.620 13.530 845 H ALA 105 H ALA 105 0.763 0.956 11.058 846 HA ALA 105 HA ALA 105 2.960 -0.329 12.280 847 HB1 ALA 105 1HB ALA 105 4.346 1.011 10.783 848 HB2 ALA 105 2HB ALA 105 2.964 2.042 10.410 849 HB3 ALA 105 3HB ALA 105 2.957 0.346 9.925 850 H GLU 106 H GLU 106 1.447 2.766 12.817 851 HA GLU 106 HA GLU 106 3.625 3.748 14.444 852 HB2 GLU 106 2HB GLU 106 0.842 4.848 14.031 853 HB3 GLU 106 1HB GLU 106 2.133 5.661 14.904 854 HG2 GLU 106 2HG GLU 106 3.477 5.597 12.795 855 HG3 GLU 106 1HG GLU 106 2.033 5.005 11.975 856 H LYS 107 H LYS 107 1.334 1.486 14.899 857 HA LYS 107 HA LYS 107 0.540 0.349 16.660 858 HB2 LYS 107 2HB LYS 107 2.841 0.448 17.502 859 HB3 LYS 107 1HB LYS 107 2.511 1.996 18.260 860 HG2 LYS 107 2HG LYS 107 0.956 0.956 19.792 861 HG3 LYS 107 1HG LYS 107 1.157 -0.598 18.979 862 HD2 LYS 107 2HD LYS 107 3.470 -0.702 19.639 863 HD3 LYS 107 1HD LYS 107 3.396 0.931 20.301 864 HE2 LYS 107 2HE LYS 107 3.294 -0.764 22.062 865 HE3 LYS 107 1HE LYS 107 1.820 0.195 21.989 866 HZ1 LYS 107 1HZ LYS 107 2.141 -2.503 20.797 867 HZ2 LYS 107 2HZ LYS 107 0.713 -1.599 20.854 868 HZ3 LYS 107 3HZ LYS 107 1.399 -2.185 22.281 869 H LYS 108 H LYS 108 -1.388 1.552 16.091 870 HA LYS 108 HA LYS 108 -2.257 3.700 17.826 871 HB2 LYS 108 2HB LYS 108 -4.280 3.669 16.544 872 HB3 LYS 108 1HB LYS 108 -2.950 3.445 15.411 873 HG2 LYS 108 2HG LYS 108 -3.415 1.143 15.159 874 HG3 LYS 108 1HG LYS 108 -4.483 1.128 16.560 875 HD2 LYS 108 2HD LYS 108 -5.956 2.737 15.267 876 HD3 LYS 108 1HD LYS 108 -4.970 2.347 13.856 877 HE2 LYS 108 2HE LYS 108 -6.971 0.961 13.905 878 HE3 LYS 108 1HE LYS 108 -5.528 -0.025 14.122 879 HZ1 LYS 108 1HZ LYS 108 -7.248 0.926 16.351 880 HZ2 LYS 108 2HZ LYS 108 -5.968 -0.177 16.473 881 HZ3 LYS 108 3HZ LYS 108 -7.378 -0.601 15.641 882 H ASN 109 H ASN 109 -2.040 0.381 18.043 883 HA ASN 109 HA ASN 109 -2.930 -1.262 19.308 884 HB2 ASN 109 2HB ASN 109 -3.992 1.049 20.968 885 HB3 ASN 109 1HB ASN 109 -4.026 -0.638 21.464 886 HD21 ASN 109 1HD2 ASN 109 -2.747 1.640 22.725 887 HD22 ASN 109 2HD2 ASN 109 -1.071 1.251 22.837 Start of MODEL 14 1 H1 SER 1 1HT SER 1 17.798 -1.181 13.583 2 H2 SER 1 2HT SER 1 16.795 -2.306 12.817 3 H3 SER 1 3HT SER 1 16.157 -0.837 13.391 4 HA SER 1 HA SER 1 17.373 0.427 11.849 5 HB2 SER 1 2HB SER 1 18.499 -2.204 10.866 6 HB3 SER 1 1HB SER 1 18.835 -0.611 10.192 7 HG SER 1 HG SER 1 20.464 -0.774 11.537 8 H GLU 2 H GLU 2 15.373 -2.351 11.738 9 HA GLU 2 HA GLU 2 14.445 -1.699 9.051 10 HB2 GLU 2 2HB GLU 2 13.157 -3.807 9.173 11 HB3 GLU 2 1HB GLU 2 14.880 -4.052 9.389 12 HG2 GLU 2 2HG GLU 2 12.894 -3.936 11.650 13 HG3 GLU 2 1HG GLU 2 13.422 -5.424 10.869 14 H PHE 3 H PHE 3 13.360 -1.713 12.399 15 HA PHE 3 HA PHE 3 10.639 -1.133 11.731 16 HB2 PHE 3 2HB PHE 3 11.541 -2.130 13.938 17 HB3 PHE 3 1HB PHE 3 11.911 -0.465 14.378 18 HD1 PHE 3 1HD PHE 3 9.291 -2.929 13.862 19 HD2 PHE 3 2HD PHE 3 10.104 1.152 14.739 20 HE1 PHE 3 1HE PHE 3 6.971 -2.633 14.623 21 HE2 PHE 3 2HE PHE 3 7.784 1.452 15.501 22 HZ PHE 3 HZ PHE 3 6.217 -0.443 15.443 23 H GLU 4 H GLU 4 13.501 0.726 12.469 24 HA GLU 4 HA GLU 4 12.310 3.264 12.642 25 HB2 GLU 4 2HB GLU 4 15.074 2.563 11.628 26 HB3 GLU 4 1HB GLU 4 14.549 4.143 12.188 27 HG2 GLU 4 2HG GLU 4 15.591 3.426 14.069 28 HG3 GLU 4 1HG GLU 4 13.986 2.772 14.383 29 H LYS 5 H LYS 5 13.413 1.326 9.945 30 HA LYS 5 HA LYS 5 12.919 3.300 7.943 31 HB2 LYS 5 2HB LYS 5 14.505 1.491 7.543 32 HB3 LYS 5 1HB LYS 5 13.243 0.294 7.772 33 HG2 LYS 5 2HG LYS 5 13.741 0.551 5.422 34 HG3 LYS 5 1HG LYS 5 12.107 1.123 5.760 35 HD2 LYS 5 2HD LYS 5 12.934 3.435 5.784 36 HD3 LYS 5 1HD LYS 5 14.561 2.851 5.426 37 HE2 LYS 5 2HE LYS 5 13.747 1.899 3.320 38 HE3 LYS 5 1HE LYS 5 12.127 2.493 3.681 39 HZ1 LYS 5 1HZ LYS 5 13.292 3.962 2.169 40 HZ2 LYS 5 2HZ LYS 5 14.538 4.181 3.289 41 HZ3 LYS 5 3HZ LYS 5 12.983 4.746 3.632 42 H LEU 6 H LEU 6 11.106 0.787 9.524 43 HA LEU 6 HA LEU 6 8.904 0.584 7.806 44 HB2 LEU 6 2HB LEU 6 9.402 -0.976 9.652 45 HB3 LEU 6 1HB LEU 6 9.008 0.277 10.809 46 HG LEU 6 HG LEU 6 6.677 0.282 9.902 47 HD11 LEU 6 1HD1 LEU 6 5.969 -1.644 8.585 48 HD12 LEU 6 2HD1 LEU 6 7.647 -2.172 8.458 49 HD13 LEU 6 3HD1 LEU 6 7.141 -0.653 7.718 50 HD21 LEU 6 1HD2 LEU 6 7.244 -0.905 11.950 51 HD22 LEU 6 2HD2 LEU 6 7.703 -2.326 11.011 52 HD23 LEU 6 3HD2 LEU 6 6.023 -1.787 11.031 53 H ARG 7 H ARG 7 9.689 2.839 10.373 54 HA ARG 7 HA ARG 7 7.211 4.148 10.617 55 HB2 ARG 7 2HB ARG 7 9.996 5.305 10.898 56 HB3 ARG 7 1HB ARG 7 8.522 6.046 11.494 57 HG2 ARG 7 2HG ARG 7 9.561 3.380 12.429 58 HG3 ARG 7 1HG ARG 7 9.905 4.915 13.227 59 HD2 ARG 7 2HD ARG 7 7.435 5.247 13.442 60 HD3 ARG 7 1HD ARG 7 7.222 3.602 12.849 61 HE ARG 7 HE ARG 7 8.886 3.204 14.889 62 HH11 ARG 7 1HH1 ARG 7 5.987 5.155 14.700 63 HH12 ARG 7 2HH1 ARG 7 5.548 4.927 16.355 64 HH21 ARG 7 1HH2 ARG 7 8.334 2.899 17.099 65 HH22 ARG 7 2HH2 ARG 7 6.907 3.651 17.733 66 H GLN 8 H GLN 8 10.001 4.739 8.550 67 HA GLN 8 HA GLN 8 8.930 7.014 7.224 68 HB2 GLN 8 2HB GLN 8 11.126 5.145 6.326 69 HB3 GLN 8 1HB GLN 8 10.824 6.765 5.714 70 HG2 GLN 8 2HG GLN 8 11.357 7.702 7.895 71 HG3 GLN 8 1HG GLN 8 11.616 6.084 8.534 72 HE21 GLN 8 1HE2 GLN 8 13.428 8.366 8.334 73 HE22 GLN 8 2HE2 GLN 8 14.802 7.800 7.447 74 H THR 9 H THR 9 9.028 3.568 6.518 75 HA THR 9 HA THR 9 8.098 3.694 3.868 76 HB THR 9 HB THR 9 7.751 1.400 5.816 77 HG1 THR 9 1HG THR 9 9.945 2.009 5.672 78 HG21 THR 9 1HG2 THR 9 7.908 1.459 2.793 79 HG22 THR 9 2HG2 THR 9 6.451 1.167 3.740 80 HG23 THR 9 3HG2 THR 9 7.780 0.009 3.790 81 H GLY 10 H GLY 10 6.378 3.452 6.962 82 HA2 GLY 10 2HA GLY 10 3.807 2.937 5.968 83 HA3 GLY 10 1HA GLY 10 4.158 3.762 7.481 84 H ASP 11 H ASP 11 5.408 6.038 6.606 85 HA ASP 11 HA ASP 11 3.219 7.632 5.718 86 HB2 ASP 11 2HB ASP 11 4.871 8.586 7.220 87 HB3 ASP 11 1HB ASP 11 6.155 8.296 6.052 88 H GLU 12 H GLU 12 6.071 6.285 4.209 89 HA GLU 12 HA GLU 12 6.012 7.664 1.773 90 HB2 GLU 12 2HB GLU 12 7.876 6.216 2.660 91 HB3 GLU 12 1HB GLU 12 6.923 4.818 2.188 92 HG2 GLU 12 2HG GLU 12 8.611 5.305 0.530 93 HG3 GLU 12 1HG GLU 12 6.998 5.549 -0.138 94 H LEU 13 H LEU 13 4.326 4.765 2.853 95 HA LEU 13 HA LEU 13 3.286 3.934 0.393 96 HB2 LEU 13 2HB LEU 13 2.228 3.666 3.196 97 HB3 LEU 13 1HB LEU 13 1.420 2.951 1.817 98 HG LEU 13 HG LEU 13 4.248 2.298 2.647 99 HD11 LEU 13 1HD1 LEU 13 2.651 1.591 4.352 100 HD12 LEU 13 2HD1 LEU 13 3.315 0.204 3.489 101 HD13 LEU 13 3HD1 LEU 13 1.687 0.776 3.120 102 HD21 LEU 13 1HD2 LEU 13 2.361 1.011 0.675 103 HD22 LEU 13 2HD2 LEU 13 3.951 0.395 1.127 104 HD23 LEU 13 3HD2 LEU 13 3.811 1.935 0.279 105 H VAL 14 H VAL 14 2.000 6.221 2.766 106 HA VAL 14 HA VAL 14 -0.472 6.618 1.454 107 HB VAL 14 HB VAL 14 0.972 8.467 3.362 108 HG11 VAL 14 1HG1 VAL 14 -0.756 9.651 2.133 109 HG12 VAL 14 2HG1 VAL 14 -1.260 9.408 3.807 110 HG13 VAL 14 3HG1 VAL 14 -1.926 8.393 2.528 111 HG21 VAL 14 1HG2 VAL 14 0.588 6.267 4.333 112 HG22 VAL 14 2HG2 VAL 14 -1.115 6.348 3.879 113 HG23 VAL 14 3HG2 VAL 14 -0.469 7.465 5.080 114 H GLN 15 H GLN 15 2.551 8.530 1.419 115 HA GLN 15 HA GLN 15 1.487 10.463 -0.364 116 HB2 GLN 15 2HB GLN 15 3.882 11.178 -0.684 117 HB3 GLN 15 1HB GLN 15 3.290 11.200 0.967 118 HG2 GLN 15 2HG GLN 15 4.439 9.101 1.410 119 HG3 GLN 15 1HG GLN 15 5.018 9.063 -0.255 120 HE21 GLN 15 1HE2 GLN 15 6.448 9.192 2.320 121 HE22 GLN 15 2HE2 GLN 15 7.484 10.561 2.203 122 H ALA 16 H ALA 16 3.364 7.523 -0.891 123 HA ALA 16 HA ALA 16 3.828 7.898 -3.643 124 HB1 ALA 16 1HB ALA 16 4.249 5.508 -3.737 125 HB2 ALA 16 2HB ALA 16 3.473 5.288 -2.169 126 HB3 ALA 16 3HB ALA 16 4.981 6.194 -2.286 127 H PHE 17 H PHE 17 1.130 6.503 -1.862 128 HA PHE 17 HA PHE 17 -0.259 5.548 -4.130 129 HB2 PHE 17 2HB PHE 17 -0.590 5.031 -1.583 130 HB3 PHE 17 1HB PHE 17 -1.699 6.397 -1.652 131 HD1 PHE 17 1HD PHE 17 -1.074 2.972 -2.708 132 HD2 PHE 17 2HD PHE 17 -3.760 6.263 -2.944 133 HE1 PHE 17 1HE PHE 17 -2.807 1.478 -3.589 134 HE2 PHE 17 2HE PHE 17 -5.508 4.775 -3.827 135 HZ PHE 17 HZ PHE 17 -5.036 2.381 -4.152 136 H GLN 18 H GLN 18 -0.310 8.619 -2.375 137 HA GLN 18 HA GLN 18 -2.473 9.766 -3.742 138 HB2 GLN 18 2HB GLN 18 -0.041 11.138 -2.577 139 HB3 GLN 18 1HB GLN 18 -1.531 11.936 -3.053 140 HG2 GLN 18 2HG GLN 18 -1.157 9.956 -0.827 141 HG3 GLN 18 1HG GLN 18 -1.531 11.671 -0.685 142 HE21 GLN 18 1HE2 GLN 18 -2.946 9.293 0.283 143 HE22 GLN 18 2HE2 GLN 18 -4.549 9.378 -0.363 144 H ARG 19 H ARG 19 0.985 9.651 -4.473 145 HA ARG 19 HA ARG 19 0.909 11.251 -6.784 146 HB2 ARG 19 2HB ARG 19 3.058 10.769 -5.869 147 HB3 ARG 19 1HB ARG 19 2.774 9.036 -5.917 148 HG2 ARG 19 2HG ARG 19 2.981 8.990 -8.294 149 HG3 ARG 19 1HG ARG 19 2.991 10.749 -8.383 150 HD2 ARG 19 2HD ARG 19 5.236 9.697 -8.653 151 HD3 ARG 19 1HD ARG 19 5.138 10.858 -7.334 152 HE ARG 19 HE ARG 19 4.954 8.908 -5.828 153 HH11 ARG 19 1HH1 ARG 19 6.395 8.422 -9.021 154 HH12 ARG 19 2HH1 ARG 19 7.414 7.119 -8.491 155 HH21 ARG 19 1HH2 ARG 19 6.360 7.209 -5.146 156 HH22 ARG 19 2HH2 ARG 19 7.425 6.464 -6.297 157 H LEU 20 H LEU 20 0.306 7.830 -6.258 158 HA LEU 20 HA LEU 20 0.055 7.019 -8.934 159 HB2 LEU 20 2HB LEU 20 0.170 5.470 -7.014 160 HB3 LEU 20 1HB LEU 20 -1.417 6.001 -6.499 161 HG LEU 20 HG LEU 20 -2.300 5.135 -8.703 162 HD11 LEU 20 1HD1 LEU 20 -0.171 5.078 -9.893 163 HD12 LEU 20 2HD1 LEU 20 -0.956 3.500 -9.886 164 HD13 LEU 20 3HD1 LEU 20 0.403 3.814 -8.806 165 HD21 LEU 20 1HD2 LEU 20 -2.608 3.932 -6.605 166 HD22 LEU 20 2HD2 LEU 20 -1.038 3.156 -6.808 167 HD23 LEU 20 3HD2 LEU 20 -2.343 2.812 -7.941 168 H ARG 21 H ARG 21 -2.338 8.228 -6.613 169 HA ARG 21 HA ARG 21 -4.546 8.072 -8.354 170 HB2 ARG 21 2HB ARG 21 -4.096 9.694 -5.864 171 HB3 ARG 21 1HB ARG 21 -5.626 9.669 -6.730 172 HG2 ARG 21 2HG ARG 21 -5.618 7.169 -6.445 173 HG3 ARG 21 1HG ARG 21 -4.248 7.381 -5.354 174 HD2 ARG 21 2HD ARG 21 -6.303 7.231 -4.095 175 HD3 ARG 21 1HD ARG 21 -5.618 8.851 -3.952 176 HE ARG 21 HE ARG 21 -7.293 9.406 -5.811 177 HH11 ARG 21 1HH1 ARG 21 -7.929 7.041 -3.278 178 HH12 ARG 21 2HH1 ARG 21 -9.648 7.286 -3.331 179 HH21 ARG 21 1HH2 ARG 21 -9.564 9.695 -5.857 180 HH22 ARG 21 2HH2 ARG 21 -10.571 8.771 -4.791 181 H GLU 22 H GLU 22 -2.261 10.688 -7.666 182 HA GLU 22 HA GLU 22 -3.597 12.664 -9.182 183 HB2 GLU 22 2HB GLU 22 -0.655 12.421 -8.522 184 HB3 GLU 22 1HB GLU 22 -1.425 13.858 -9.180 185 HG2 GLU 22 2HG GLU 22 -2.844 13.981 -7.168 186 HG3 GLU 22 1HG GLU 22 -1.982 12.593 -6.508 187 H ILE 23 H ILE 23 -0.999 10.399 -10.011 188 HA ILE 23 HA ILE 23 -0.722 11.268 -12.687 189 HB ILE 23 HB ILE 23 0.023 8.657 -11.362 190 HG12 ILE 23 2HG1 ILE 23 1.660 11.041 -12.254 191 HG13 ILE 23 1HG1 ILE 23 1.231 10.651 -10.592 192 HG21 ILE 23 1HG2 ILE 23 -0.348 8.281 -13.756 193 HG22 ILE 23 2HG2 ILE 23 1.361 8.154 -13.338 194 HG23 ILE 23 3HG2 ILE 23 0.751 9.608 -14.128 195 HD11 ILE 23 1HD1 ILE 23 3.516 10.018 -11.083 196 HD12 ILE 23 2HD1 ILE 23 2.956 8.993 -12.407 197 HD13 ILE 23 3HD1 ILE 23 2.525 8.599 -10.748 198 H PHE 24 H PHE 24 -2.718 8.785 -11.170 199 HA PHE 24 HA PHE 24 -3.749 7.592 -13.485 200 HB2 PHE 24 2HB PHE 24 -4.080 6.625 -11.258 201 HB3 PHE 24 1HB PHE 24 -5.061 8.004 -10.783 202 HD1 PHE 24 1HD PHE 24 -4.934 5.191 -13.213 203 HD2 PHE 24 2HD PHE 24 -7.369 7.943 -11.064 204 HE1 PHE 24 1HE PHE 24 -6.948 4.011 -13.990 205 HE2 PHE 24 2HE PHE 24 -9.388 6.769 -11.838 206 HZ PHE 24 HZ PHE 24 -9.178 4.800 -13.303 207 H ASP 25 H ASP 25 -4.748 10.446 -11.694 208 HA ASP 25 HA ASP 25 -7.096 11.007 -13.163 209 HB2 ASP 25 2HB ASP 25 -6.678 12.007 -10.980 210 HB3 ASP 25 1HB ASP 25 -5.269 12.851 -11.609 211 H LYS 26 H LYS 26 -3.720 11.785 -13.657 212 HA LYS 26 HA LYS 26 -4.221 13.635 -15.809 213 HB2 LYS 26 2HB LYS 26 -1.641 12.292 -14.988 214 HB3 LYS 26 1HB LYS 26 -1.795 13.676 -16.063 215 HG2 LYS 26 2HG LYS 26 -2.622 15.039 -14.260 216 HG3 LYS 26 1HG LYS 26 -2.617 13.655 -13.168 217 HD2 LYS 26 2HD LYS 26 -0.156 13.477 -13.519 218 HD3 LYS 26 1HD LYS 26 -0.233 14.971 -14.454 219 HE2 LYS 26 2HE LYS 26 -1.044 14.653 -11.565 220 HE3 LYS 26 1HE LYS 26 0.452 15.386 -12.138 221 HZ1 LYS 26 1HZ LYS 26 -0.854 17.100 -13.232 222 HZ2 LYS 26 2HZ LYS 26 -1.191 17.053 -11.581 223 HZ3 LYS 26 3HZ LYS 26 -2.289 16.394 -12.680 224 H GLY 27 H GLY 27 -3.936 10.248 -15.481 225 HA2 GLY 27 2HA GLY 27 -4.329 8.602 -17.044 226 HA3 GLY 27 1HA GLY 27 -4.528 9.858 -18.254 227 H ASP 28 H ASP 28 -1.613 9.677 -16.336 228 HA ASP 28 HA ASP 28 -0.118 9.165 -18.777 229 HB2 ASP 28 2HB ASP 28 0.601 10.958 -17.164 230 HB3 ASP 28 1HB ASP 28 1.030 9.677 -16.034 231 H ASP 29 H ASP 29 -0.335 7.093 -19.277 232 HA ASP 29 HA ASP 29 -0.487 4.903 -17.575 233 HB2 ASP 29 2HB ASP 29 -1.208 4.678 -19.822 234 HB3 ASP 29 1HB ASP 29 0.365 5.154 -20.451 235 H ASP 30 H ASP 30 2.378 6.297 -19.136 236 HA ASP 30 HA ASP 30 4.204 4.263 -18.534 237 HB2 ASP 30 2HB ASP 30 4.633 7.225 -18.928 238 HB3 ASP 30 1HB ASP 30 5.944 6.060 -18.792 239 H SER 31 H SER 31 3.562 7.281 -16.782 240 HA SER 31 HA SER 31 5.359 6.661 -14.670 241 HB2 SER 31 2HB SER 31 3.069 8.628 -14.599 242 HB3 SER 31 1HB SER 31 4.549 8.660 -13.637 243 HG SER 31 HG SER 31 4.211 9.140 -16.404 244 H LEU 32 H LEU 32 1.964 6.106 -15.255 245 HA LEU 32 HA LEU 32 1.106 5.560 -12.646 246 HB2 LEU 32 2HB LEU 32 -0.363 5.881 -14.630 247 HB3 LEU 32 1HB LEU 32 0.132 4.307 -15.218 248 HG LEU 32 HG LEU 32 -0.840 3.344 -13.081 249 HD11 LEU 32 1HD1 LEU 32 -0.907 5.408 -11.793 250 HD12 LEU 32 2HD1 LEU 32 -2.512 4.692 -11.935 251 HD13 LEU 32 3HD1 LEU 32 -2.077 6.084 -12.926 252 HD21 LEU 32 1HD2 LEU 32 -1.953 3.156 -15.241 253 HD22 LEU 32 2HD2 LEU 32 -2.696 4.738 -15.008 254 HD23 LEU 32 3HD2 LEU 32 -3.125 3.396 -13.946 255 H GLU 33 H GLU 33 2.424 3.402 -15.156 256 HA GLU 33 HA GLU 33 2.165 1.015 -13.693 257 HB2 GLU 33 2HB GLU 33 2.564 1.123 -16.140 258 HB3 GLU 33 1HB GLU 33 4.206 1.665 -15.823 259 HG2 GLU 33 2HG GLU 33 4.628 -0.440 -14.616 260 HG3 GLU 33 1HG GLU 33 3.010 -0.981 -15.052 261 H GLN 34 H GLN 34 4.767 3.382 -13.918 262 HA GLN 34 HA GLN 34 6.719 1.964 -12.491 263 HB2 GLN 34 2HB GLN 34 7.409 3.868 -13.725 264 HB3 GLN 34 1HB GLN 34 6.262 4.912 -12.898 265 HG2 GLN 34 2HG GLN 34 7.522 4.619 -10.813 266 HG3 GLN 34 1HG GLN 34 8.689 3.620 -11.676 267 HE21 GLN 34 1HE2 GLN 34 8.941 6.165 -10.241 268 HE22 GLN 34 2HE2 GLN 34 9.672 7.263 -11.374 269 H VAL 35 H VAL 35 4.292 4.311 -11.372 270 HA VAL 35 HA VAL 35 5.112 4.293 -8.680 271 HB VAL 35 HB VAL 35 2.339 4.882 -9.746 272 HG11 VAL 35 1HG1 VAL 35 2.085 6.203 -7.689 273 HG12 VAL 35 2HG1 VAL 35 3.661 5.634 -7.141 274 HG13 VAL 35 3HG1 VAL 35 2.334 4.491 -7.346 275 HG21 VAL 35 1HG2 VAL 35 3.940 6.311 -10.820 276 HG22 VAL 35 2HG2 VAL 35 4.718 6.664 -9.277 277 HG23 VAL 35 3HG2 VAL 35 3.084 7.242 -9.589 278 H LEU 36 H LEU 36 2.890 2.227 -10.468 279 HA LEU 36 HA LEU 36 1.770 0.838 -8.298 280 HB2 LEU 36 2HB LEU 36 2.442 -0.149 -11.072 281 HB3 LEU 36 1HB LEU 36 1.467 -1.040 -9.923 282 HG LEU 36 HG LEU 36 0.735 1.648 -11.086 283 HD11 LEU 36 1HD1 LEU 36 0.738 -0.126 -12.774 284 HD12 LEU 36 2HD1 LEU 36 -0.897 0.420 -12.404 285 HD13 LEU 36 3HD1 LEU 36 -0.306 -1.103 -11.742 286 HD21 LEU 36 1HD2 LEU 36 -0.224 1.269 -8.877 287 HD22 LEU 36 2HD2 LEU 36 -0.836 -0.300 -9.401 288 HD23 LEU 36 3HD2 LEU 36 -1.465 1.180 -10.126 289 H GLU 37 H GLU 37 4.729 0.314 -10.141 290 HA GLU 37 HA GLU 37 5.558 -2.026 -8.798 291 HB2 GLU 37 2HB GLU 37 7.128 0.072 -10.298 292 HB3 GLU 37 1HB GLU 37 7.820 -1.431 -9.707 293 HG2 GLU 37 2HG GLU 37 5.604 -1.166 -11.722 294 HG3 GLU 37 1HG GLU 37 7.284 -1.580 -12.063 295 H GLU 38 H GLU 38 6.254 1.410 -8.305 296 HA GLU 38 HA GLU 38 8.123 1.078 -6.238 297 HB2 GLU 38 2HB GLU 38 6.285 3.383 -6.869 298 HB3 GLU 38 1HB GLU 38 7.544 3.457 -5.651 299 HG2 GLU 38 2HG GLU 38 9.209 2.972 -7.436 300 HG3 GLU 38 1HG GLU 38 7.901 3.086 -8.615 301 H ILE 39 H ILE 39 4.628 1.637 -6.106 302 HA ILE 39 HA ILE 39 4.479 1.713 -3.293 303 HB ILE 39 HB ILE 39 2.344 0.962 -5.306 304 HG12 ILE 39 2HG1 ILE 39 2.868 3.557 -3.843 305 HG13 ILE 39 1HG1 ILE 39 3.250 3.249 -5.535 306 HG21 ILE 39 1HG2 ILE 39 1.788 0.076 -3.102 307 HG22 ILE 39 2HG2 ILE 39 0.727 1.423 -3.518 308 HG23 ILE 39 3HG2 ILE 39 2.055 1.665 -2.381 309 HD11 ILE 39 1HD1 ILE 39 0.882 2.947 -6.012 310 HD12 ILE 39 2HD1 ILE 39 1.206 4.530 -5.306 311 HD13 ILE 39 3HD1 ILE 39 0.500 3.250 -4.317 312 H GLU 40 H GLU 40 4.330 -0.912 -5.618 313 HA GLU 40 HA GLU 40 3.398 -2.869 -3.791 314 HB2 GLU 40 2HB GLU 40 3.300 -3.011 -6.301 315 HB3 GLU 40 1HB GLU 40 5.019 -3.372 -6.280 316 HG2 GLU 40 2HG GLU 40 4.657 -5.409 -5.113 317 HG3 GLU 40 1HG GLU 40 2.965 -5.007 -4.820 318 H GLU 41 H GLU 41 6.618 -1.850 -4.817 319 HA GLU 41 HA GLU 41 8.101 -3.752 -3.391 320 HB2 GLU 41 2HB GLU 41 8.649 -0.994 -4.411 321 HB3 GLU 41 1HB GLU 41 9.818 -1.786 -3.369 322 HG2 GLU 41 2HG GLU 41 8.786 -2.884 -5.967 323 HG3 GLU 41 1HG GLU 41 10.331 -2.063 -5.742 324 H LEU 42 H LEU 42 6.892 -0.556 -2.510 325 HA LEU 42 HA LEU 42 7.975 -0.465 0.084 326 HB2 LEU 42 2HB LEU 42 5.459 0.822 -0.972 327 HB3 LEU 42 1HB LEU 42 6.270 1.254 0.518 328 HG LEU 42 HG LEU 42 7.465 1.545 -2.234 329 HD11 LEU 42 1HD1 LEU 42 5.594 3.055 -1.948 330 HD12 LEU 42 2HD1 LEU 42 7.113 3.948 -1.897 331 HD13 LEU 42 3HD1 LEU 42 6.244 3.599 -0.402 332 HD21 LEU 42 1HD2 LEU 42 8.412 2.493 0.471 333 HD22 LEU 42 2HD2 LEU 42 9.157 2.899 -1.075 334 HD23 LEU 42 3HD2 LEU 42 9.152 1.228 -0.511 335 H ILE 43 H ILE 43 4.920 -1.702 -1.173 336 HA ILE 43 HA ILE 43 3.689 -2.328 1.266 337 HB ILE 43 HB ILE 43 3.410 -3.684 -1.429 338 HG12 ILE 43 2HG1 ILE 43 1.711 -1.599 -0.042 339 HG13 ILE 43 1HG1 ILE 43 2.781 -1.314 -1.405 340 HG21 ILE 43 1HG2 ILE 43 1.282 -4.589 -0.579 341 HG22 ILE 43 2HG2 ILE 43 1.672 -3.957 1.021 342 HG23 ILE 43 3HG2 ILE 43 2.676 -5.215 0.301 343 HD11 ILE 43 1HD1 ILE 43 0.330 -3.063 -1.444 344 HD12 ILE 43 2HD1 ILE 43 1.396 -2.742 -2.811 345 HD13 ILE 43 3HD1 ILE 43 0.448 -1.432 -2.104 346 H GLN 44 H GLN 44 5.905 -4.224 -0.761 347 HA GLN 44 HA GLN 44 5.818 -6.555 0.828 348 HB2 GLN 44 2HB GLN 44 6.622 -6.600 -1.478 349 HB3 GLN 44 1HB GLN 44 7.962 -5.549 -1.050 350 HG2 GLN 44 2HG GLN 44 8.883 -7.258 0.380 351 HG3 GLN 44 1HG GLN 44 7.508 -8.307 0.044 352 HE21 GLN 44 1HE2 GLN 44 10.372 -8.717 -0.414 353 HE22 GLN 44 2HE2 GLN 44 10.536 -9.052 -2.100 354 H LYS 45 H LYS 45 8.036 -3.797 0.711 355 HA LYS 45 HA LYS 45 9.815 -4.716 2.670 356 HB2 LYS 45 2HB LYS 45 9.157 -1.910 1.780 357 HB3 LYS 45 1HB LYS 45 10.469 -2.300 2.885 358 HG2 LYS 45 2HG LYS 45 11.504 -3.691 1.161 359 HG3 LYS 45 1HG LYS 45 10.189 -3.288 0.057 360 HD2 LYS 45 2HD LYS 45 10.822 -0.964 0.072 361 HD3 LYS 45 1HD LYS 45 12.043 -1.267 1.311 362 HE2 LYS 45 2HE LYS 45 13.077 -1.086 -0.886 363 HE3 LYS 45 1HE LYS 45 13.260 -2.715 -0.241 364 HZ1 LYS 45 1HZ LYS 45 11.354 -3.389 -1.632 365 HZ2 LYS 45 2HZ LYS 45 12.659 -2.828 -2.542 366 HZ3 LYS 45 3HZ LYS 45 11.318 -1.836 -2.308 367 H HIS 46 H HIS 46 6.934 -2.674 2.957 368 HA HIS 46 HA HIS 46 7.188 -2.013 5.659 369 HB2 HIS 46 2HB HIS 46 5.531 -1.044 4.020 370 HB3 HIS 46 1HB HIS 46 4.588 -2.518 4.187 371 HD1 HIS 46 1HD HIS 46 3.382 -2.869 6.550 372 HD2 HIS 46 2HD HIS 46 5.254 0.801 6.019 373 HE1 HIS 46 1HE HIS 46 2.511 -1.358 8.375 374 H ARG 47 H ARG 47 5.525 -4.756 4.145 375 HA ARG 47 HA ARG 47 4.667 -5.930 6.583 376 HB2 ARG 47 2HB ARG 47 5.065 -7.134 3.846 377 HB3 ARG 47 1HB ARG 47 4.296 -7.960 5.192 378 HG2 ARG 47 2HG ARG 47 2.510 -6.343 5.216 379 HG3 ARG 47 1HG ARG 47 3.312 -5.400 3.957 380 HD2 ARG 47 2HD ARG 47 2.390 -8.251 3.644 381 HD3 ARG 47 1HD ARG 47 1.480 -6.841 3.106 382 HE ARG 47 HE ARG 47 3.434 -6.355 1.638 383 HH11 ARG 47 1HH1 ARG 47 2.894 -9.643 2.756 384 HH12 ARG 47 2HH1 ARG 47 3.619 -10.372 1.373 385 HH21 ARG 47 1HH2 ARG 47 4.351 -7.343 -0.254 386 HH22 ARG 47 2HH2 ARG 47 4.428 -9.065 -0.352 387 H GLN 48 H GLN 48 7.482 -6.447 4.500 388 HA GLN 48 HA GLN 48 8.386 -8.753 5.838 389 HB2 GLN 48 2HB GLN 48 8.904 -8.071 3.479 390 HB3 GLN 48 1HB GLN 48 10.029 -6.893 4.141 391 HG2 GLN 48 2HG GLN 48 11.144 -8.921 3.424 392 HG3 GLN 48 1HG GLN 48 11.323 -8.656 5.159 393 HE21 GLN 48 1HE2 GLN 48 11.719 -10.809 5.591 394 HE22 GLN 48 2HE2 GLN 48 10.489 -12.018 5.499 395 H LEU 49 H LEU 49 9.253 -5.319 6.151 396 HA LEU 49 HA LEU 49 11.496 -5.701 7.804 397 HB2 LEU 49 2HB LEU 49 9.586 -3.367 7.699 398 HB3 LEU 49 1HB LEU 49 11.128 -3.352 8.527 399 HG LEU 49 HG LEU 49 10.740 -3.677 5.550 400 HD11 LEU 49 1HD1 LEU 49 10.197 -1.439 6.294 401 HD12 LEU 49 2HD1 LEU 49 11.720 -1.441 5.406 402 HD13 LEU 49 3HD1 LEU 49 11.726 -1.337 7.166 403 HD21 LEU 49 1HD2 LEU 49 13.270 -3.389 7.172 404 HD22 LEU 49 2HD2 LEU 49 13.168 -3.426 5.413 405 HD23 LEU 49 3HD2 LEU 49 12.729 -4.853 6.349 406 H PHE 50 H PHE 50 8.077 -5.305 8.596 407 HA PHE 50 HA PHE 50 8.530 -5.343 11.418 408 HB2 PHE 50 2HB PHE 50 6.541 -4.266 10.414 409 HB3 PHE 50 1HB PHE 50 5.968 -5.844 9.886 410 HD1 PHE 50 1HD PHE 50 7.013 -4.054 12.982 411 HD2 PHE 50 2HD PHE 50 4.483 -6.992 11.232 412 HE1 PHE 50 1HE PHE 50 5.860 -4.341 15.139 413 HE2 PHE 50 2HE PHE 50 3.328 -7.280 13.385 414 HZ PHE 50 HZ PHE 50 4.017 -5.957 15.340 415 H ASP 51 H ASP 51 7.461 -7.727 9.031 416 HA ASP 51 HA ASP 51 6.946 -9.839 10.823 417 HB2 ASP 51 2HB ASP 51 6.098 -9.871 8.543 418 HB3 ASP 51 1HB ASP 51 7.736 -9.909 7.903 419 H ASN 52 H ASN 52 9.878 -8.830 9.174 420 HA ASN 52 HA ASN 52 11.441 -11.088 9.873 421 HB2 ASN 52 2HB ASN 52 12.125 -9.683 8.033 422 HB3 ASN 52 1HB ASN 52 12.236 -8.278 9.085 423 HD21 ASN 52 1HD2 ASN 52 14.056 -7.979 10.318 424 HD22 ASN 52 2HD2 ASN 52 15.468 -8.960 10.169 425 H ARG 53 H ARG 53 10.997 -7.918 11.396 426 HA ARG 53 HA ARG 53 12.984 -8.423 13.401 427 HB2 ARG 53 2HB ARG 53 12.506 -6.158 12.684 428 HB3 ARG 53 1HB ARG 53 10.841 -6.310 13.225 429 HG2 ARG 53 2HG ARG 53 11.711 -6.645 15.542 430 HG3 ARG 53 1HG ARG 53 13.318 -6.249 14.927 431 HD2 ARG 53 2HD ARG 53 12.503 -4.079 14.182 432 HD3 ARG 53 1HD ARG 53 10.889 -4.474 14.769 433 HE ARG 53 HE ARG 53 13.254 -4.181 16.506 434 HH11 ARG 53 1HH1 ARG 53 9.813 -3.823 15.935 435 HH12 ARG 53 2HH1 ARG 53 9.504 -3.051 17.455 436 HH21 ARG 53 1HH2 ARG 53 12.849 -3.153 18.507 437 HH22 ARG 53 2HH2 ARG 53 11.243 -2.647 18.908 438 H GLN 54 H GLN 54 9.441 -8.558 13.302 439 HA GLN 54 HA GLN 54 7.869 -9.353 14.705 440 HB2 GLN 54 2HB GLN 54 10.186 -11.021 15.662 441 HB3 GLN 54 1HB GLN 54 8.570 -11.187 16.332 442 HG2 GLN 54 2HG GLN 54 7.739 -11.655 14.037 443 HG3 GLN 54 1HG GLN 54 9.414 -11.649 13.486 444 HE21 GLN 54 1HE2 GLN 54 10.756 -13.331 14.055 445 HE22 GLN 54 2HE2 GLN 54 10.167 -14.812 14.718 446 H GLU 55 H GLU 55 6.869 -8.324 16.255 447 HA GLU 55 HA GLU 55 8.417 -7.437 18.592 448 HB2 GLU 55 2HB GLU 55 8.284 -5.546 17.026 449 HB3 GLU 55 1HB GLU 55 6.531 -5.673 17.023 450 HG2 GLU 55 2HG GLU 55 6.470 -5.118 19.384 451 HG3 GLU 55 1HG GLU 55 8.229 -5.037 19.423 452 H ALA 56 H ALA 56 5.113 -7.531 17.236 453 HA ALA 56 HA ALA 56 4.039 -9.092 19.323 454 HB1 ALA 56 1HB ALA 56 4.348 -7.057 20.667 455 HB2 ALA 56 2HB ALA 56 2.638 -7.425 20.448 456 HB3 ALA 56 3HB ALA 56 3.392 -6.143 19.501 457 H ALA 57 H ALA 57 2.063 -9.870 18.740 458 HA ALA 57 HA ALA 57 0.321 -10.399 17.360 459 HB1 ALA 57 1HB ALA 57 -1.091 -8.545 16.598 460 HB2 ALA 57 2HB ALA 57 0.200 -7.403 16.973 461 HB3 ALA 57 3HB ALA 57 -0.580 -8.308 18.270 462 H ASP 58 H ASP 58 2.910 -10.489 16.266 463 HA ASP 58 HA ASP 58 3.223 -9.195 13.812 464 HB2 ASP 58 2HB ASP 58 4.415 -11.854 14.581 465 HB3 ASP 58 1HB ASP 58 5.044 -10.702 13.409 466 H THR 59 H THR 59 1.854 -12.362 14.584 467 HA THR 59 HA THR 59 1.615 -13.229 11.907 468 HB THR 59 HB THR 59 -0.153 -14.093 14.203 469 HG1 THR 59 1HG THR 59 2.527 -14.769 13.530 470 HG21 THR 59 1HG2 THR 59 -0.209 -16.219 12.985 471 HG22 THR 59 2HG2 THR 59 0.831 -15.537 11.736 472 HG23 THR 59 3HG2 THR 59 -0.797 -14.901 11.971 473 H GLU 60 H GLU 60 -0.607 -11.544 14.082 474 HA GLU 60 HA GLU 60 -2.785 -11.552 12.258 475 HB2 GLU 60 2HB GLU 60 -2.238 -9.807 14.656 476 HB3 GLU 60 1HB GLU 60 -3.751 -9.821 13.761 477 HG2 GLU 60 2HG GLU 60 -4.019 -12.208 14.314 478 HG3 GLU 60 1HG GLU 60 -2.550 -12.120 15.283 479 H ALA 61 H ALA 61 -0.292 -9.163 13.072 480 HA ALA 61 HA ALA 61 -1.260 -7.114 11.397 481 HB1 ALA 61 1HB ALA 61 0.960 -6.129 11.610 482 HB2 ALA 61 2HB ALA 61 1.584 -7.651 12.246 483 HB3 ALA 61 3HB ALA 61 0.394 -6.732 13.168 484 H ALA 62 H ALA 62 0.929 -9.812 10.820 485 HA ALA 62 HA ALA 62 1.699 -9.089 8.211 486 HB1 ALA 62 1HB ALA 62 1.515 -11.844 9.429 487 HB2 ALA 62 2HB ALA 62 2.904 -10.762 9.532 488 HB3 ALA 62 3HB ALA 62 2.404 -11.411 7.969 489 H LYS 63 H LYS 63 -1.021 -10.953 9.474 490 HA LYS 63 HA LYS 63 -1.975 -11.771 6.925 491 HB2 LYS 63 2HB LYS 63 -2.533 -12.639 9.376 492 HB3 LYS 63 1HB LYS 63 -3.843 -11.476 9.243 493 HG2 LYS 63 2HG LYS 63 -3.341 -13.726 7.296 494 HG3 LYS 63 1HG LYS 63 -4.505 -13.773 8.617 495 HD2 LYS 63 2HD LYS 63 -5.773 -11.980 7.632 496 HD3 LYS 63 1HD LYS 63 -4.544 -11.739 6.391 497 HE2 LYS 63 2HE LYS 63 -6.193 -14.236 6.751 498 HE3 LYS 63 1HE LYS 63 -6.516 -12.970 5.570 499 HZ1 LYS 63 1HZ LYS 63 -5.346 -14.798 4.557 500 HZ2 LYS 63 2HZ LYS 63 -4.093 -14.693 5.677 501 HZ3 LYS 63 3HZ LYS 63 -4.333 -13.441 4.558 502 H GLN 64 H GLN 64 -2.623 -9.009 9.030 503 HA GLN 64 HA GLN 64 -4.727 -7.895 7.517 504 HB2 GLN 64 2HB GLN 64 -2.659 -6.563 9.278 505 HB3 GLN 64 1HB GLN 64 -4.060 -5.737 8.609 506 HG2 GLN 64 2HG GLN 64 -5.549 -7.174 9.835 507 HG3 GLN 64 1HG GLN 64 -4.193 -8.132 10.423 508 HE21 GLN 64 1HE2 GLN 64 -4.718 -7.750 12.548 509 HE22 GLN 64 2HE2 GLN 64 -4.468 -6.217 13.311 510 H GLY 65 H GLY 65 -1.222 -7.524 7.369 511 HA2 GLY 65 2HA GLY 65 -1.177 -5.714 5.190 512 HA3 GLY 65 1HA GLY 65 0.149 -6.763 5.686 513 H ASP 66 H ASP 66 -1.284 -9.202 5.443 514 HA ASP 66 HA ASP 66 -0.828 -9.897 2.767 515 HB2 ASP 66 2HB ASP 66 -0.764 -11.587 4.476 516 HB3 ASP 66 1HB ASP 66 -2.422 -11.244 4.952 517 H GLN 67 H GLN 67 -3.807 -9.071 4.487 518 HA GLN 67 HA GLN 67 -5.564 -9.527 2.310 519 HB2 GLN 67 2HB GLN 67 -6.319 -9.340 4.665 520 HB3 GLN 67 1HB GLN 67 -5.907 -7.632 4.645 521 HG2 GLN 67 2HG GLN 67 -7.550 -7.318 2.808 522 HG3 GLN 67 1HG GLN 67 -8.023 -9.004 3.008 523 HE21 GLN 67 1HE2 GLN 67 -9.568 -6.574 3.326 524 HE22 GLN 67 2HE2 GLN 67 -10.193 -6.601 4.936 525 H TRP 68 H TRP 68 -3.682 -6.769 3.381 526 HA TRP 68 HA TRP 68 -4.751 -4.850 1.636 527 HB2 TRP 68 2HB TRP 68 -3.456 -4.093 3.478 528 HB3 TRP 68 1HB TRP 68 -2.100 -5.125 3.048 529 HD1 TRP 68 HD TRP 68 -0.195 -3.907 1.966 530 HE1 TRP 68 1HE TRP 68 0.110 -1.714 0.643 531 HE3 TRP 68 3HE TRP 68 -5.059 -2.430 1.710 532 HZ2 TRP 68 2HZ TRP 68 -1.496 0.351 -0.380 533 HZ3 TRP 68 3HZ TRP 68 -5.596 -0.339 0.543 534 HH2 TRP 68 HH TRP 68 -3.851 1.024 -0.480 535 H VAL 69 H VAL 69 -2.205 -7.254 1.282 536 HA VAL 69 HA VAL 69 -1.227 -6.451 -1.233 537 HB VAL 69 HB VAL 69 -1.377 -9.260 -0.103 538 HG11 VAL 69 1HG1 VAL 69 0.486 -9.757 -1.626 539 HG12 VAL 69 2HG1 VAL 69 0.360 -8.131 -2.300 540 HG13 VAL 69 3HG1 VAL 69 -0.966 -9.277 -2.505 541 HG21 VAL 69 1HG2 VAL 69 0.825 -7.212 0.041 542 HG22 VAL 69 2HG2 VAL 69 0.928 -8.875 0.619 543 HG23 VAL 69 3HG2 VAL 69 -0.193 -7.745 1.379 544 H GLN 70 H GLN 70 -3.915 -8.528 -0.278 545 HA GLN 70 HA GLN 70 -4.612 -9.455 -2.842 546 HB2 GLN 70 2HB GLN 70 -5.479 -10.446 -0.758 547 HB3 GLN 70 1HB GLN 70 -6.399 -8.980 -0.447 548 HG2 GLN 70 2HG GLN 70 -7.630 -9.379 -2.570 549 HG3 GLN 70 1HG GLN 70 -6.788 -10.921 -2.709 550 HE21 GLN 70 1HE2 GLN 70 -8.667 -12.117 -2.583 551 HE22 GLN 70 2HE2 GLN 70 -9.571 -12.274 -1.119 552 H LEU 71 H LEU 71 -5.525 -6.580 -1.013 553 HA LEU 71 HA LEU 71 -7.449 -5.581 -2.797 554 HB2 LEU 71 2HB LEU 71 -5.656 -4.266 -0.776 555 HB3 LEU 71 1HB LEU 71 -6.732 -3.317 -1.779 556 HG LEU 71 HG LEU 71 -7.640 -5.499 0.107 557 HD11 LEU 71 1HD1 LEU 71 -8.441 -3.678 1.517 558 HD12 LEU 71 2HD1 LEU 71 -7.735 -2.499 0.414 559 HD13 LEU 71 3HD1 LEU 71 -6.690 -3.598 1.319 560 HD21 LEU 71 1HD2 LEU 71 -9.147 -5.140 -1.785 561 HD22 LEU 71 2HD2 LEU 71 -9.166 -3.409 -1.437 562 HD23 LEU 71 3HD2 LEU 71 -9.858 -4.548 -0.283 563 H PHE 72 H PHE 72 -3.951 -5.013 -2.600 564 HA PHE 72 HA PHE 72 -3.893 -3.217 -4.799 565 HB2 PHE 72 2HB PHE 72 -2.121 -3.379 -3.020 566 HB3 PHE 72 1HB PHE 72 -1.594 -4.886 -3.762 567 HD1 PHE 72 1HD PHE 72 -1.942 -1.251 -4.289 568 HD2 PHE 72 2HD PHE 72 -0.225 -4.882 -5.701 569 HE1 PHE 72 1HE PHE 72 -0.511 0.027 -5.829 570 HE2 PHE 72 2HE PHE 72 1.206 -3.609 -7.242 571 HZ PHE 72 HZ PHE 72 1.065 -1.152 -7.307 572 H GLN 73 H GLN 73 -3.401 -6.701 -4.488 573 HA GLN 73 HA GLN 73 -2.602 -7.179 -7.146 574 HB2 GLN 73 2HB GLN 73 -2.298 -8.854 -5.407 575 HB3 GLN 73 1HB GLN 73 -4.037 -8.985 -5.191 576 HG2 GLN 73 2HG GLN 73 -4.272 -9.910 -7.419 577 HG3 GLN 73 1HG GLN 73 -2.543 -9.712 -7.702 578 HE21 GLN 73 1HE2 GLN 73 -2.291 -11.907 -8.079 579 HE22 GLN 73 2HE2 GLN 73 -2.331 -13.068 -6.801 580 H ARG 74 H ARG 74 -5.786 -7.156 -5.594 581 HA ARG 74 HA ARG 74 -7.302 -7.884 -7.845 582 HB2 ARG 74 2HB ARG 74 -8.135 -7.759 -5.471 583 HB3 ARG 74 1HB ARG 74 -8.148 -6.008 -5.623 584 HG2 ARG 74 2HG ARG 74 -10.363 -6.729 -5.981 585 HG3 ARG 74 1HG ARG 74 -9.719 -6.304 -7.569 586 HD2 ARG 74 2HD ARG 74 -10.848 -8.345 -7.882 587 HD3 ARG 74 1HD ARG 74 -9.137 -8.762 -7.824 588 HE ARG 74 HE ARG 74 -10.787 -8.981 -5.411 589 HH11 ARG 74 1HH1 ARG 74 -8.719 -10.503 -7.816 590 HH12 ARG 74 2HH1 ARG 74 -8.755 -12.046 -7.029 591 HH21 ARG 74 1HH2 ARG 74 -10.810 -11.028 -4.376 592 HH22 ARG 74 2HH2 ARG 74 -9.928 -12.341 -5.075 593 H PHE 75 H PHE 75 -6.109 -4.806 -6.670 594 HA PHE 75 HA PHE 75 -7.376 -3.098 -8.490 595 HB2 PHE 75 2HB PHE 75 -6.175 -2.376 -6.426 596 HB3 PHE 75 1HB PHE 75 -4.651 -2.782 -7.200 597 HD1 PHE 75 1HD PHE 75 -7.615 -0.579 -7.480 598 HD2 PHE 75 2HD PHE 75 -3.536 -1.203 -8.511 599 HE1 PHE 75 1HE PHE 75 -7.495 1.709 -8.375 600 HE2 PHE 75 2HE PHE 75 -3.411 1.084 -9.411 601 HZ PHE 75 HZ PHE 75 -5.391 2.542 -9.343 602 H ARG 76 H ARG 76 -4.299 -4.851 -8.648 603 HA ARG 76 HA ARG 76 -3.387 -3.905 -11.128 604 HB2 ARG 76 2HB ARG 76 -2.966 -6.491 -9.659 605 HB3 ARG 76 1HB ARG 76 -2.289 -6.243 -11.255 606 HG2 ARG 76 2HG ARG 76 -1.134 -4.203 -10.309 607 HG3 ARG 76 1HG ARG 76 -1.638 -4.781 -8.715 608 HD2 ARG 76 2HD ARG 76 -0.457 -6.837 -9.002 609 HD3 ARG 76 1HD ARG 76 -0.129 -6.479 -10.692 610 HE ARG 76 HE ARG 76 1.374 -5.637 -8.408 611 HH11 ARG 76 1HH1 ARG 76 0.422 -4.559 -11.631 612 HH12 ARG 76 2HH1 ARG 76 1.930 -3.776 -11.954 613 HH21 ARG 76 1HH2 ARG 76 3.385 -4.658 -8.867 614 HH22 ARG 76 2HH2 ARG 76 3.648 -3.853 -10.388 615 H GLU 77 H GLU 77 -5.443 -6.658 -10.310 616 HA GLU 77 HA GLU 77 -5.691 -7.719 -12.896 617 HB2 GLU 77 2HB GLU 77 -7.641 -7.901 -10.601 618 HB3 GLU 77 1HB GLU 77 -7.619 -8.944 -12.018 619 HG2 GLU 77 2HG GLU 77 -5.428 -9.784 -11.378 620 HG3 GLU 77 1HG GLU 77 -5.425 -8.722 -9.971 621 H ALA 78 H ALA 78 -7.609 -5.331 -11.156 622 HA ALA 78 HA ALA 78 -9.638 -5.060 -13.092 623 HB1 ALA 78 1HB ALA 78 -9.892 -4.197 -10.829 624 HB2 ALA 78 2HB ALA 78 -10.115 -2.904 -12.009 625 HB3 ALA 78 3HB ALA 78 -8.601 -3.031 -11.113 626 H ILE 79 H ILE 79 -6.488 -3.512 -12.701 627 HA ILE 79 HA ILE 79 -6.722 -1.685 -14.862 628 HB ILE 79 HB ILE 79 -4.235 -2.938 -13.659 629 HG12 ILE 79 2HG1 ILE 79 -5.529 -0.253 -13.147 630 HG13 ILE 79 1HG1 ILE 79 -5.557 -1.632 -12.052 631 HG21 ILE 79 1HG2 ILE 79 -3.008 -1.073 -14.673 632 HG22 ILE 79 2HG2 ILE 79 -4.491 -0.530 -15.458 633 HG23 ILE 79 3HG2 ILE 79 -3.781 -2.085 -15.893 634 HD11 ILE 79 1HD1 ILE 79 -3.135 -1.497 -11.822 635 HD12 ILE 79 2HD1 ILE 79 -3.918 0.014 -11.360 636 HD13 ILE 79 3HD1 ILE 79 -3.107 -0.120 -12.921 637 H ASP 80 H ASP 80 -5.555 -4.985 -14.562 638 HA ASP 80 HA ASP 80 -4.482 -5.302 -17.135 639 HB2 ASP 80 2HB ASP 80 -3.945 -6.884 -15.426 640 HB3 ASP 80 1HB ASP 80 -5.641 -7.288 -15.185 641 H LYS 81 H LYS 81 -7.756 -5.744 -15.908 642 HA LYS 81 HA LYS 81 -8.701 -6.698 -18.473 643 HB2 LYS 81 2HB LYS 81 -10.297 -5.891 -16.034 644 HB3 LYS 81 1HB LYS 81 -10.906 -6.768 -17.430 645 HG2 LYS 81 2HG LYS 81 -8.874 -7.755 -15.436 646 HG3 LYS 81 1HG LYS 81 -10.550 -8.280 -15.588 647 HD2 LYS 81 2HD LYS 81 -10.081 -9.179 -17.806 648 HD3 LYS 81 1HD LYS 81 -8.416 -8.606 -17.696 649 HE2 LYS 81 2HE LYS 81 -8.068 -10.061 -15.741 650 HE3 LYS 81 1HE LYS 81 -9.716 -10.661 -15.911 651 HZ1 LYS 81 1HZ LYS 81 -8.109 -12.160 -16.902 652 HZ2 LYS 81 2HZ LYS 81 -7.558 -10.943 -17.931 653 HZ3 LYS 81 3HZ LYS 81 -9.137 -11.530 -18.087 654 H GLY 82 H GLY 82 -8.082 -3.714 -17.055 655 HA2 GLY 82 2HA GLY 82 -8.295 -1.603 -17.960 656 HA3 GLY 82 1HA GLY 82 -9.176 -2.309 -19.307 657 H ASP 83 H ASP 83 -10.141 -2.892 -16.019 658 HA ASP 83 HA ASP 83 -12.657 -1.530 -16.598 659 HB2 ASP 83 2HB ASP 83 -12.600 -3.913 -15.737 660 HB3 ASP 83 1HB ASP 83 -12.030 -3.258 -14.204 661 H LYS 84 H LYS 84 -12.269 0.578 -16.274 662 HA LYS 84 HA LYS 84 -10.748 1.586 -14.095 663 HB2 LYS 84 2HB LYS 84 -12.603 2.994 -16.013 664 HB3 LYS 84 1HB LYS 84 -11.540 3.804 -14.868 665 HG2 LYS 84 2HG LYS 84 -9.596 2.803 -15.962 666 HG3 LYS 84 1HG LYS 84 -10.663 1.998 -17.113 667 HD2 LYS 84 2HD LYS 84 -11.436 4.165 -17.919 668 HD3 LYS 84 1HD LYS 84 -10.400 4.979 -16.745 669 HE2 LYS 84 2HE LYS 84 -8.428 3.992 -17.800 670 HE3 LYS 84 1HE LYS 84 -9.459 3.167 -18.965 671 HZ1 LYS 84 1HZ LYS 84 -9.212 6.107 -18.661 672 HZ2 LYS 84 2HZ LYS 84 -10.172 5.312 -19.807 673 HZ3 LYS 84 3HZ LYS 84 -8.489 5.183 -19.871 674 H ASP 85 H ASP 85 -14.058 0.775 -14.536 675 HA ASP 85 HA ASP 85 -15.273 2.367 -12.577 676 HB2 ASP 85 2HB ASP 85 -15.992 -0.449 -13.423 677 HB3 ASP 85 1HB ASP 85 -17.039 0.641 -12.520 678 H SER 86 H SER 86 -13.893 -0.901 -12.341 679 HA SER 86 HA SER 86 -14.324 -1.178 -9.571 680 HB2 SER 86 2HB SER 86 -12.232 -2.510 -11.304 681 HB3 SER 86 1HB SER 86 -12.753 -3.054 -9.709 682 HG SER 86 HG SER 86 -14.242 -2.961 -12.120 683 H LEU 87 H LEU 87 -11.640 0.132 -11.451 684 HA LEU 87 HA LEU 87 -9.763 0.415 -9.383 685 HB2 LEU 87 2HB LEU 87 -10.182 2.196 -11.789 686 HB3 LEU 87 1HB LEU 87 -8.748 2.173 -10.783 687 HG LEU 87 HG LEU 87 -9.718 -0.082 -12.537 688 HD11 LEU 87 1HD1 LEU 87 -7.738 0.391 -13.863 689 HD12 LEU 87 2HD1 LEU 87 -7.315 1.721 -12.787 690 HD13 LEU 87 3HD1 LEU 87 -8.773 1.816 -13.774 691 HD21 LEU 87 1HD2 LEU 87 -8.633 -0.916 -10.524 692 HD22 LEU 87 2HD2 LEU 87 -7.251 0.138 -10.821 693 HD23 LEU 87 3HD2 LEU 87 -7.619 -1.172 -11.943 694 H GLU 88 H GLU 88 -12.274 2.581 -10.560 695 HA GLU 88 HA GLU 88 -11.773 4.791 -8.944 696 HB2 GLU 88 2HB GLU 88 -13.293 4.738 -10.898 697 HB3 GLU 88 1HB GLU 88 -14.427 3.769 -9.975 698 HG2 GLU 88 2HG GLU 88 -15.121 6.086 -10.083 699 HG3 GLU 88 1HG GLU 88 -14.760 5.605 -8.429 700 H GLN 89 H GLN 89 -13.788 1.934 -8.359 701 HA GLN 89 HA GLN 89 -14.741 2.769 -5.812 702 HB2 GLN 89 2HB GLN 89 -14.522 -0.024 -6.947 703 HB3 GLN 89 1HB GLN 89 -15.469 0.439 -5.542 704 HG2 GLN 89 2HG GLN 89 -16.863 1.866 -6.973 705 HG3 GLN 89 1HG GLN 89 -15.925 1.350 -8.375 706 HE21 GLN 89 1HE2 GLN 89 -17.701 0.432 -9.380 707 HE22 GLN 89 2HE2 GLN 89 -18.418 -1.042 -8.829 708 H LEU 90 H LEU 90 -12.123 0.608 -6.837 709 HA LEU 90 HA LEU 90 -11.345 -0.264 -4.289 710 HB2 LEU 90 2HB LEU 90 -9.796 -0.072 -6.862 711 HB3 LEU 90 1HB LEU 90 -9.164 -0.827 -5.412 712 HG LEU 90 HG LEU 90 -11.640 -1.739 -6.883 713 HD11 LEU 90 1HD1 LEU 90 -8.856 -2.890 -6.859 714 HD12 LEU 90 2HD1 LEU 90 -9.640 -2.090 -8.222 715 HD13 LEU 90 3HD1 LEU 90 -10.270 -3.622 -7.617 716 HD21 LEU 90 1HD2 LEU 90 -11.427 -3.737 -5.465 717 HD22 LEU 90 2HD2 LEU 90 -11.705 -2.281 -4.512 718 HD23 LEU 90 3HD2 LEU 90 -10.087 -2.975 -4.608 719 H LEU 91 H LEU 91 -10.377 2.590 -6.115 720 HA LEU 91 HA LEU 91 -8.085 3.271 -4.679 721 HB2 LEU 91 2HB LEU 91 -10.128 5.006 -6.050 722 HB3 LEU 91 1HB LEU 91 -8.667 5.653 -5.336 723 HG LEU 91 HG LEU 91 -8.731 3.626 -7.574 724 HD11 LEU 91 1HD1 LEU 91 -8.207 6.594 -7.642 725 HD12 LEU 91 2HD1 LEU 91 -9.619 5.770 -8.303 726 HD13 LEU 91 3HD1 LEU 91 -8.025 5.483 -8.999 727 HD21 LEU 91 1HD2 LEU 91 -6.474 5.196 -6.332 728 HD22 LEU 91 2HD2 LEU 91 -6.344 4.217 -7.792 729 HD23 LEU 91 3HD2 LEU 91 -6.712 3.450 -6.248 730 H GLU 92 H GLU 92 -11.467 3.932 -3.964 731 HA GLU 92 HA GLU 92 -10.912 5.669 -1.784 732 HB2 GLU 92 2HB GLU 92 -13.446 4.135 -2.348 733 HB3 GLU 92 1HB GLU 92 -13.281 5.543 -1.307 734 HG2 GLU 92 2HG GLU 92 -12.822 5.494 -4.283 735 HG3 GLU 92 1HG GLU 92 -14.257 6.113 -3.469 736 H GLU 93 H GLU 93 -11.677 2.217 -2.011 737 HA GLU 93 HA GLU 93 -11.843 1.800 0.790 738 HB2 GLU 93 2HB GLU 93 -12.734 0.253 -1.013 739 HB3 GLU 93 1HB GLU 93 -11.074 -0.278 -1.256 740 HG2 GLU 93 2HG GLU 93 -10.953 -1.081 1.012 741 HG3 GLU 93 1HG GLU 93 -12.570 -0.465 1.344 742 H LEU 94 H LEU 94 -9.235 1.467 -1.562 743 HA LEU 94 HA LEU 94 -7.338 0.410 0.195 744 HB2 LEU 94 2HB LEU 94 -7.215 1.782 -2.443 745 HB3 LEU 94 1HB LEU 94 -5.725 1.638 -1.536 746 HG LEU 94 HG LEU 94 -5.940 -0.807 -1.524 747 HD11 LEU 94 1HD1 LEU 94 -8.439 -0.348 -3.134 748 HD12 LEU 94 2HD1 LEU 94 -8.333 -1.059 -1.523 749 HD13 LEU 94 3HD1 LEU 94 -7.648 -1.907 -2.911 750 HD21 LEU 94 1HD2 LEU 94 -5.571 -1.206 -3.909 751 HD22 LEU 94 2HD2 LEU 94 -4.725 0.235 -3.348 752 HD23 LEU 94 3HD2 LEU 94 -6.218 0.393 -4.274 753 H GLU 95 H GLU 95 -8.201 3.755 -0.573 754 HA GLU 95 HA GLU 95 -6.182 5.089 0.834 755 HB2 GLU 95 2HB GLU 95 -8.999 5.790 0.093 756 HB3 GLU 95 1HB GLU 95 -8.086 6.862 1.143 757 HG2 GLU 95 2HG GLU 95 -7.089 5.968 -1.543 758 HG3 GLU 95 1HG GLU 95 -8.066 7.417 -1.307 759 H GLN 96 H GLN 96 -9.260 3.781 1.941 760 HA GLN 96 HA GLN 96 -9.123 4.789 4.580 761 HB2 GLN 96 2HB GLN 96 -10.585 2.402 3.449 762 HB3 GLN 96 1HB GLN 96 -10.811 3.017 5.080 763 HG2 GLN 96 2HG GLN 96 -11.639 5.107 4.225 764 HG3 GLN 96 1HG GLN 96 -11.303 4.597 2.572 765 HE21 GLN 96 1HE2 GLN 96 -13.446 4.895 1.999 766 HE22 GLN 96 2HE2 GLN 96 -14.689 3.786 2.473 767 H ALA 97 H ALA 97 -8.050 1.787 3.090 768 HA ALA 97 HA ALA 97 -7.236 0.511 5.478 769 HB1 ALA 97 1HB ALA 97 -6.234 0.077 2.666 770 HB2 ALA 97 2HB ALA 97 -7.636 -0.709 3.391 771 HB3 ALA 97 3HB ALA 97 -6.021 -1.026 4.026 772 H LEU 98 H LEU 98 -5.600 2.653 3.210 773 HA LEU 98 HA LEU 98 -2.989 2.370 4.206 774 HB2 LEU 98 2HB LEU 98 -4.373 4.588 2.746 775 HB3 LEU 98 1HB LEU 98 -2.701 4.725 3.247 776 HG LEU 98 HG LEU 98 -3.736 2.539 1.450 777 HD11 LEU 98 1HD1 LEU 98 -4.004 4.707 0.388 778 HD12 LEU 98 2HD1 LEU 98 -2.692 3.797 -0.361 779 HD13 LEU 98 3HD1 LEU 98 -2.328 5.108 0.761 780 HD21 LEU 98 1HD2 LEU 98 -0.949 3.466 2.145 781 HD22 LEU 98 2HD2 LEU 98 -1.350 2.233 0.951 782 HD23 LEU 98 3HD2 LEU 98 -1.702 1.956 2.656 783 H GLN 99 H GLN 99 -5.669 4.386 5.268 784 HA GLN 99 HA GLN 99 -4.193 6.036 6.992 785 HB2 GLN 99 2HB GLN 99 -6.478 6.584 6.341 786 HB3 GLN 99 1HB GLN 99 -7.077 5.138 7.145 787 HG2 GLN 99 2HG GLN 99 -6.370 6.011 9.284 788 HG3 GLN 99 1HG GLN 99 -5.713 7.443 8.496 789 HE21 GLN 99 1HE2 GLN 99 -7.036 8.811 9.676 790 HE22 GLN 99 2HE2 GLN 99 -8.733 8.948 9.375 791 H LYS 100 H LYS 100 -5.880 2.977 7.465 792 HA LYS 100 HA LYS 100 -5.345 2.683 10.213 793 HB2 LYS 100 2HB LYS 100 -5.788 0.563 8.112 794 HB3 LYS 100 1HB LYS 100 -5.888 0.311 9.849 795 HG2 LYS 100 2HG LYS 100 -7.791 1.798 9.985 796 HG3 LYS 100 1HG LYS 100 -7.658 2.158 8.262 797 HD2 LYS 100 2HD LYS 100 -8.077 -0.200 7.745 798 HD3 LYS 100 1HD LYS 100 -8.225 -0.544 9.470 799 HE2 LYS 100 2HE LYS 100 -10.138 0.959 9.612 800 HE3 LYS 100 1HE LYS 100 -9.978 1.335 7.897 801 HZ1 LYS 100 1HZ LYS 100 -11.689 -0.327 8.306 802 HZ2 LYS 100 2HZ LYS 100 -10.550 -1.353 9.014 803 HZ3 LYS 100 3HZ LYS 100 -10.434 -0.967 7.377 804 H ILE 101 H ILE 101 -3.626 1.596 7.321 805 HA ILE 101 HA ILE 101 -1.598 0.135 8.595 806 HB ILE 101 HB ILE 101 -1.540 1.622 5.958 807 HG12 ILE 101 2HG1 ILE 101 -1.936 -1.314 6.576 808 HG13 ILE 101 1HG1 ILE 101 -3.217 -0.190 6.143 809 HG21 ILE 101 1HG2 ILE 101 0.394 0.228 5.382 810 HG22 ILE 101 2HG2 ILE 101 0.400 -0.434 7.017 811 HG23 ILE 101 3HG2 ILE 101 0.734 1.278 6.758 812 HD11 ILE 101 1HD1 ILE 101 -0.897 -0.976 4.397 813 HD12 ILE 101 2HD1 ILE 101 -2.191 0.140 3.958 814 HD13 ILE 101 3HD1 ILE 101 -2.555 -1.560 4.252 815 H ARG 102 H ARG 102 -1.745 3.553 7.629 816 HA ARG 102 HA ARG 102 0.866 4.233 8.438 817 HB2 ARG 102 2HB ARG 102 -0.958 5.570 7.076 818 HB3 ARG 102 1HB ARG 102 -1.366 6.209 8.661 819 HG2 ARG 102 2HG ARG 102 1.325 6.540 8.660 820 HG3 ARG 102 1HG ARG 102 0.957 6.749 6.947 821 HD2 ARG 102 2HD ARG 102 0.756 8.904 7.789 822 HD3 ARG 102 1HD ARG 102 -0.913 8.331 7.787 823 HE ARG 102 HE ARG 102 0.808 8.742 10.110 824 HH11 ARG 102 1HH1 ARG 102 -2.350 7.831 8.849 825 HH12 ARG 102 2HH1 ARG 102 -3.105 7.865 10.408 826 HH21 ARG 102 1HH2 ARG 102 -0.223 8.805 12.165 827 HH22 ARG 102 2HH2 ARG 102 -1.913 8.386 12.265 828 H GLU 103 H GLU 103 -2.212 4.124 10.159 829 HA GLU 103 HA GLU 103 -1.413 5.294 12.586 830 HB2 GLU 103 2HB GLU 103 -3.483 3.168 12.015 831 HB3 GLU 103 1HB GLU 103 -3.291 3.947 13.576 832 HG2 GLU 103 2HG GLU 103 -3.872 5.454 11.043 833 HG3 GLU 103 1HG GLU 103 -5.127 4.835 12.113 834 H LEU 104 H LEU 104 -1.211 1.981 11.389 835 HA LEU 104 HA LEU 104 -0.225 0.842 13.802 836 HB2 LEU 104 2HB LEU 104 0.027 -0.122 10.951 837 HB3 LEU 104 1HB LEU 104 0.418 -1.071 12.368 838 HG LEU 104 HG LEU 104 -2.335 -0.041 11.675 839 HD11 LEU 104 1HD1 LEU 104 -1.589 -1.763 10.125 840 HD12 LEU 104 2HD1 LEU 104 -2.859 -2.373 11.187 841 HD13 LEU 104 3HD1 LEU 104 -1.176 -2.816 11.480 842 HD21 LEU 104 1HD2 LEU 104 -3.077 -1.534 13.480 843 HD22 LEU 104 2HD2 LEU 104 -2.020 -0.256 14.077 844 HD23 LEU 104 3HD2 LEU 104 -1.395 -1.892 13.867 845 H ALA 105 H ALA 105 1.304 2.137 10.893 846 HA ALA 105 HA ALA 105 3.967 1.483 11.616 847 HB1 ALA 105 1HB ALA 105 3.310 2.003 9.311 848 HB2 ALA 105 2HB ALA 105 4.628 3.040 9.857 849 HB3 ALA 105 3HB ALA 105 2.982 3.670 9.783 850 H GLU 106 H GLU 106 1.837 4.094 12.428 851 HA GLU 106 HA GLU 106 3.920 5.713 13.616 852 HB2 GLU 106 2HB GLU 106 1.843 6.657 12.542 853 HB3 GLU 106 1HB GLU 106 0.919 5.991 13.879 854 HG2 GLU 106 2HG GLU 106 2.083 7.406 15.444 855 HG3 GLU 106 1HG GLU 106 3.128 8.011 14.159 856 H LYS 107 H LYS 107 1.827 3.184 14.453 857 HA LYS 107 HA LYS 107 1.530 1.902 16.246 858 HB2 LYS 107 2HB LYS 107 3.926 1.761 16.421 859 HB3 LYS 107 1HB LYS 107 4.003 3.300 17.267 860 HG2 LYS 107 2HG LYS 107 2.826 2.334 19.167 861 HG3 LYS 107 1HG LYS 107 2.688 0.798 18.314 862 HD2 LYS 107 2HD LYS 107 5.333 2.098 18.927 863 HD3 LYS 107 1HD LYS 107 4.544 0.968 20.025 864 HE2 LYS 107 2HE LYS 107 4.515 -0.703 18.176 865 HE3 LYS 107 1HE LYS 107 5.450 0.429 17.202 866 HZ1 LYS 107 1HZ LYS 107 6.354 -0.591 19.834 867 HZ2 LYS 107 2HZ LYS 107 7.276 0.258 18.694 868 HZ3 LYS 107 3HZ LYS 107 6.759 -1.323 18.368 869 H LYS 108 H LYS 108 -0.453 2.806 16.687 870 HA LYS 108 HA LYS 108 -0.499 4.492 19.108 871 HB2 LYS 108 2HB LYS 108 -2.599 4.092 16.972 872 HB3 LYS 108 1HB LYS 108 -2.895 4.932 18.483 873 HG2 LYS 108 2HG LYS 108 -1.171 6.588 17.853 874 HG3 LYS 108 1HG LYS 108 -0.996 5.762 16.300 875 HD2 LYS 108 2HD LYS 108 -3.374 6.143 15.841 876 HD3 LYS 108 1HD LYS 108 -3.529 6.997 17.376 877 HE2 LYS 108 2HE LYS 108 -2.010 8.707 16.611 878 HE3 LYS 108 1HE LYS 108 -1.707 7.815 15.121 879 HZ1 LYS 108 1HZ LYS 108 -4.274 9.054 15.956 880 HZ2 LYS 108 2HZ LYS 108 -4.099 8.039 14.617 881 HZ3 LYS 108 3HZ LYS 108 -3.289 9.523 14.660 882 H ASN 109 H ASN 109 -0.716 1.446 18.001 883 HA ASN 109 HA ASN 109 -2.876 0.527 19.693 884 HB2 ASN 109 2HB ASN 109 -2.205 -1.728 18.676 885 HB3 ASN 109 1HB ASN 109 -2.853 -0.519 17.574 886 HD21 ASN 109 1HD2 ASN 109 -0.141 -2.442 18.402 887 HD22 ASN 109 2HD2 ASN 109 0.885 -1.951 17.103 Start of MODEL 15 1 H1 SER 1 1HT SER 1 2.905 13.336 19.159 2 H2 SER 1 2HT SER 1 2.904 11.659 19.384 3 H3 SER 1 3HT SER 1 2.055 12.339 18.092 4 HA SER 1 HA SER 1 4.040 13.063 17.067 5 HB2 SER 1 2HB SER 1 5.419 11.793 19.444 6 HB3 SER 1 1HB SER 1 6.230 12.461 18.028 7 HG SER 1 HG SER 1 6.013 14.378 18.832 8 H GLU 2 H GLU 2 4.375 11.793 15.377 9 HA GLU 2 HA GLU 2 3.734 8.984 15.513 10 HB2 GLU 2 2HB GLU 2 4.728 10.706 13.232 11 HB3 GLU 2 1HB GLU 2 4.231 9.030 13.076 12 HG2 GLU 2 2HG GLU 2 1.971 9.578 13.594 13 HG3 GLU 2 1HG GLU 2 2.416 11.230 14.026 14 H PHE 3 H PHE 3 5.162 7.310 15.397 15 HA PHE 3 HA PHE 3 7.928 7.867 15.929 16 HB2 PHE 3 2HB PHE 3 6.446 5.280 15.395 17 HB3 PHE 3 1HB PHE 3 8.169 5.347 15.746 18 HD1 PHE 3 1HD PHE 3 4.801 5.869 17.115 19 HD2 PHE 3 2HD PHE 3 8.971 5.778 17.958 20 HE1 PHE 3 1HE PHE 3 4.311 5.865 19.525 21 HE2 PHE 3 2HE PHE 3 8.487 5.771 20.370 22 HZ PHE 3 HZ PHE 3 6.153 5.814 21.156 23 H GLU 4 H GLU 4 8.959 8.830 14.327 24 HA GLU 4 HA GLU 4 8.218 8.700 11.660 25 HB2 GLU 4 2HB GLU 4 10.781 9.705 12.855 26 HB3 GLU 4 1HB GLU 4 10.279 9.968 11.189 27 HG2 GLU 4 2HG GLU 4 8.209 11.059 12.080 28 HG3 GLU 4 1HG GLU 4 8.932 10.962 13.684 29 H LYS 5 H LYS 5 10.567 6.647 13.294 30 HA LYS 5 HA LYS 5 11.744 5.794 10.810 31 HB2 LYS 5 2HB LYS 5 11.790 4.453 13.514 32 HB3 LYS 5 1HB LYS 5 12.731 3.950 12.123 33 HG2 LYS 5 2HG LYS 5 13.853 6.147 12.133 34 HG3 LYS 5 1HG LYS 5 12.970 6.548 13.610 35 HD2 LYS 5 2HD LYS 5 13.967 4.630 14.730 36 HD3 LYS 5 1HD LYS 5 14.837 4.212 13.255 37 HE2 LYS 5 2HE LYS 5 16.011 6.357 13.357 38 HE3 LYS 5 1HE LYS 5 15.156 6.745 14.850 39 HZ1 LYS 5 1HZ LYS 5 16.203 4.916 15.939 40 HZ2 LYS 5 2HZ LYS 5 17.407 5.849 15.207 41 HZ3 LYS 5 3HZ LYS 5 16.925 4.392 14.503 42 H LEU 6 H LEU 6 9.280 4.551 12.974 43 HA LEU 6 HA LEU 6 8.734 2.225 11.417 44 HB2 LEU 6 2HB LEU 6 7.040 3.618 13.495 45 HB3 LEU 6 1HB LEU 6 6.766 2.002 12.872 46 HG LEU 6 HG LEU 6 9.192 2.853 14.462 47 HD11 LEU 6 1HD1 LEU 6 8.235 1.509 16.265 48 HD12 LEU 6 2HD1 LEU 6 6.788 1.240 15.294 49 HD13 LEU 6 3HD1 LEU 6 7.194 2.867 15.840 50 HD21 LEU 6 1HD2 LEU 6 8.289 0.134 13.512 51 HD22 LEU 6 2HD2 LEU 6 9.652 0.444 14.586 52 HD23 LEU 6 3HD2 LEU 6 9.688 1.034 12.926 53 H ARG 7 H ARG 7 7.481 5.477 11.617 54 HA ARG 7 HA ARG 7 5.262 5.115 9.891 55 HB2 ARG 7 2HB ARG 7 5.459 7.006 11.481 56 HB3 ARG 7 1HB ARG 7 6.772 7.658 10.507 57 HG2 ARG 7 2HG ARG 7 5.110 7.664 8.575 58 HG3 ARG 7 1HG ARG 7 3.869 7.418 9.804 59 HD2 ARG 7 2HD ARG 7 4.591 9.469 10.932 60 HD3 ARG 7 1HD ARG 7 5.824 9.715 9.695 61 HE ARG 7 HE ARG 7 2.989 10.189 9.483 62 HH11 ARG 7 1HH1 ARG 7 6.025 9.766 7.746 63 HH12 ARG 7 2HH1 ARG 7 5.426 10.386 6.242 64 HH21 ARG 7 1HH2 ARG 7 2.192 11.069 7.458 65 HH22 ARG 7 2HH2 ARG 7 3.257 11.163 6.101 66 H GLN 8 H GLN 8 8.647 5.868 9.379 67 HA GLN 8 HA GLN 8 8.475 6.984 6.819 68 HB2 GLN 8 2HB GLN 8 10.482 7.130 8.218 69 HB3 GLN 8 1HB GLN 8 10.744 5.404 8.044 70 HG2 GLN 8 2HG GLN 8 10.578 6.942 5.533 71 HG3 GLN 8 1HG GLN 8 11.973 7.273 6.557 72 HE21 GLN 8 1HE2 GLN 8 11.817 5.992 3.940 73 HE22 GLN 8 2HE2 GLN 8 12.554 4.438 4.138 74 H THR 9 H THR 9 8.682 3.602 7.823 75 HA THR 9 HA THR 9 9.053 2.495 5.275 76 HB THR 9 HB THR 9 7.466 1.266 7.547 77 HG1 THR 9 1HG THR 9 10.287 1.304 7.053 78 HG21 THR 9 1HG2 THR 9 9.141 0.014 5.360 79 HG22 THR 9 2HG2 THR 9 7.381 0.091 5.363 80 HG23 THR 9 3HG2 THR 9 8.224 -0.849 6.596 81 H GLY 10 H GLY 10 6.123 3.293 7.101 82 HA2 GLY 10 2HA GLY 10 4.254 2.540 5.106 83 HA3 GLY 10 1HA GLY 10 3.942 3.612 6.465 84 H ASP 11 H ASP 11 5.917 5.545 5.853 85 HA ASP 11 HA ASP 11 4.482 7.310 4.221 86 HB2 ASP 11 2HB ASP 11 6.118 8.018 5.938 87 HB3 ASP 11 1HB ASP 11 7.424 7.404 4.932 88 H GLU 12 H GLU 12 7.219 5.201 3.493 89 HA GLU 12 HA GLU 12 7.765 6.095 0.892 90 HB2 GLU 12 2HB GLU 12 7.982 3.305 2.040 91 HB3 GLU 12 1HB GLU 12 8.677 3.809 0.508 92 HG2 GLU 12 2HG GLU 12 9.398 4.880 3.221 93 HG3 GLU 12 1HG GLU 12 10.347 3.751 2.257 94 H LEU 13 H LEU 13 5.471 3.731 2.119 95 HA LEU 13 HA LEU 13 4.478 2.907 -0.392 96 HB2 LEU 13 2HB LEU 13 3.256 2.828 2.362 97 HB3 LEU 13 1HB LEU 13 2.505 2.112 0.952 98 HG LEU 13 HG LEU 13 5.182 1.298 2.089 99 HD11 LEU 13 1HD1 LEU 13 4.021 -0.732 2.795 100 HD12 LEU 13 2HD1 LEU 13 2.494 -0.057 2.230 101 HD13 LEU 13 3HD1 LEU 13 3.349 0.700 3.575 102 HD21 LEU 13 1HD2 LEU 13 4.969 -0.606 0.551 103 HD22 LEU 13 2HD2 LEU 13 5.051 0.931 -0.309 104 HD23 LEU 13 3HD2 LEU 13 3.502 0.109 -0.118 105 H VAL 14 H VAL 14 3.353 5.319 1.968 106 HA VAL 14 HA VAL 14 1.013 6.072 0.633 107 HB VAL 14 HB VAL 14 2.795 7.803 2.360 108 HG11 VAL 14 1HG1 VAL 14 1.271 9.129 0.937 109 HG12 VAL 14 2HG1 VAL 14 0.849 9.244 2.646 110 HG13 VAL 14 3HG1 VAL 14 -0.094 8.211 1.574 111 HG21 VAL 14 1HG2 VAL 14 1.986 5.811 3.519 112 HG22 VAL 14 2HG2 VAL 14 0.332 6.194 3.044 113 HG23 VAL 14 3HG2 VAL 14 1.200 7.261 4.147 114 H GLN 15 H GLN 15 4.291 7.401 0.377 115 HA GLN 15 HA GLN 15 3.644 9.450 -1.435 116 HB2 GLN 15 2HB GLN 15 6.256 7.975 -1.085 117 HB3 GLN 15 1HB GLN 15 6.055 9.495 -1.946 118 HG2 GLN 15 2HG GLN 15 5.437 9.098 0.972 119 HG3 GLN 15 1HG GLN 15 6.952 9.740 0.348 120 HE21 GLN 15 1HE2 GLN 15 7.020 11.792 -0.475 121 HE22 GLN 15 2HE2 GLN 15 5.741 12.931 -0.251 122 H ALA 16 H ALA 16 4.618 6.091 -1.941 123 HA ALA 16 HA ALA 16 4.791 6.266 -4.769 124 HB1 ALA 16 1HB ALA 16 5.879 4.479 -3.488 125 HB2 ALA 16 2HB ALA 16 4.811 3.828 -4.731 126 HB3 ALA 16 3HB ALA 16 4.296 3.840 -3.045 127 H PHE 17 H PHE 17 2.213 5.201 -2.564 128 HA PHE 17 HA PHE 17 0.380 4.544 -4.625 129 HB2 PHE 17 2HB PHE 17 -0.005 5.117 -1.694 130 HB3 PHE 17 1HB PHE 17 -1.350 4.727 -2.760 131 HD1 PHE 17 1HD PHE 17 0.697 3.369 -0.407 132 HD2 PHE 17 2HD PHE 17 -0.678 2.582 -4.350 133 HE1 PHE 17 1HE PHE 17 1.141 0.975 -0.081 134 HE2 PHE 17 2HE PHE 17 -0.240 0.188 -4.027 135 HZ PHE 17 HZ PHE 17 0.675 -0.615 -1.889 136 H GLN 18 H GLN 18 0.946 7.476 -2.759 137 HA GLN 18 HA GLN 18 -1.240 8.950 -3.714 138 HB2 GLN 18 2HB GLN 18 0.168 9.668 -1.815 139 HB3 GLN 18 1HB GLN 18 1.510 9.936 -2.916 140 HG2 GLN 18 2HG GLN 18 0.170 11.639 -4.067 141 HG3 GLN 18 1HG GLN 18 -1.101 11.428 -2.870 142 HE21 GLN 18 1HE2 GLN 18 0.484 13.773 -3.546 143 HE22 GLN 18 2HE2 GLN 18 1.265 14.267 -2.086 144 H ARG 19 H ARG 19 2.058 8.547 -4.940 145 HA ARG 19 HA ARG 19 1.774 10.237 -7.193 146 HB2 ARG 19 2HB ARG 19 3.961 9.519 -6.304 147 HB3 ARG 19 1HB ARG 19 3.613 7.869 -6.799 148 HG2 ARG 19 2HG ARG 19 3.560 8.577 -9.136 149 HG3 ARG 19 1HG ARG 19 3.912 10.234 -8.643 150 HD2 ARG 19 2HD ARG 19 6.002 9.354 -7.569 151 HD3 ARG 19 1HD ARG 19 5.662 7.808 -8.339 152 HE ARG 19 HE ARG 19 5.603 9.724 -10.339 153 HH11 ARG 19 1HH1 ARG 19 7.936 8.368 -8.101 154 HH12 ARG 19 2HH1 ARG 19 9.302 8.733 -9.092 155 HH21 ARG 19 1HH2 ARG 19 7.407 10.198 -11.669 156 HH22 ARG 19 2HH2 ARG 19 8.999 9.766 -11.149 157 H LEU 20 H LEU 20 1.230 6.809 -6.642 158 HA LEU 20 HA LEU 20 0.742 5.991 -9.273 159 HB2 LEU 20 2HB LEU 20 1.035 4.497 -7.300 160 HB3 LEU 20 1HB LEU 20 -0.553 4.977 -6.739 161 HG LEU 20 HG LEU 20 -1.441 4.036 -8.941 162 HD11 LEU 20 1HD1 LEU 20 -0.069 2.346 -10.018 163 HD12 LEU 20 2HD1 LEU 20 1.273 2.730 -8.940 164 HD13 LEU 20 3HD1 LEU 20 0.706 3.928 -10.102 165 HD21 LEU 20 1HD2 LEU 20 -0.189 2.175 -6.923 166 HD22 LEU 20 2HD2 LEU 20 -1.471 1.754 -8.058 167 HD23 LEU 20 3HD2 LEU 20 -1.773 2.943 -6.791 168 H ARG 21 H ARG 21 -1.400 7.290 -6.786 169 HA ARG 21 HA ARG 21 -3.801 7.108 -8.238 170 HB2 ARG 21 2HB ARG 21 -3.599 7.503 -5.775 171 HB3 ARG 21 1HB ARG 21 -3.095 9.149 -6.127 172 HG2 ARG 21 2HG ARG 21 -5.219 9.655 -7.111 173 HG3 ARG 21 1HG ARG 21 -5.723 7.970 -6.974 174 HD2 ARG 21 2HD ARG 21 -5.467 8.179 -4.498 175 HD3 ARG 21 1HD ARG 21 -5.184 9.906 -4.729 176 HE ARG 21 HE ARG 21 -7.512 9.587 -5.986 177 HH11 ARG 21 1HH1 ARG 21 -6.459 8.481 -2.812 178 HH12 ARG 21 2HH1 ARG 21 -8.068 8.487 -2.162 179 HH21 ARG 21 1HH2 ARG 21 -9.615 9.570 -5.100 180 HH22 ARG 21 2HH2 ARG 21 -9.842 9.097 -3.440 181 H GLU 22 H GLU 22 -1.385 9.663 -7.955 182 HA GLU 22 HA GLU 22 -2.701 11.625 -9.479 183 HB2 GLU 22 2HB GLU 22 0.251 11.124 -9.117 184 HB3 GLU 22 1HB GLU 22 -0.442 12.593 -9.780 185 HG2 GLU 22 2HG GLU 22 -1.566 13.024 -7.665 186 HG3 GLU 22 1HG GLU 22 -0.889 11.535 -7.004 187 H ILE 23 H ILE 23 -0.374 9.126 -10.390 188 HA ILE 23 HA ILE 23 -0.214 9.758 -13.119 189 HB ILE 23 HB ILE 23 0.187 7.117 -11.704 190 HG12 ILE 23 2HG1 ILE 23 2.179 9.148 -12.728 191 HG13 ILE 23 1HG1 ILE 23 1.686 8.985 -11.046 192 HG21 ILE 23 1HG2 ILE 23 0.977 7.895 -14.506 193 HG22 ILE 23 2HG2 ILE 23 -0.307 6.766 -14.075 194 HG23 ILE 23 3HG2 ILE 23 1.372 6.379 -13.697 195 HD11 ILE 23 1HD1 ILE 23 3.829 7.931 -11.453 196 HD12 ILE 23 2HD1 ILE 23 3.099 6.898 -12.684 197 HD13 ILE 23 3HD1 ILE 23 2.613 6.738 -10.996 198 H PHE 24 H PHE 24 -2.369 7.590 -11.338 199 HA PHE 24 HA PHE 24 -3.774 6.602 -13.573 200 HB2 PHE 24 2HB PHE 24 -4.010 5.428 -11.505 201 HB3 PHE 24 1HB PHE 24 -4.544 6.880 -10.665 202 HD1 PHE 24 1HD PHE 24 -5.540 4.764 -13.574 203 HD2 PHE 24 2HD PHE 24 -6.782 7.110 -10.251 204 HE1 PHE 24 1HE PHE 24 -7.882 4.186 -14.044 205 HE2 PHE 24 2HE PHE 24 -9.126 6.533 -10.713 206 HZ PHE 24 HZ PHE 24 -9.679 5.071 -12.613 207 H ASP 25 H ASP 25 -4.243 9.414 -11.511 208 HA ASP 25 HA ASP 25 -6.691 10.293 -12.581 209 HB2 ASP 25 2HB ASP 25 -5.814 11.178 -10.486 210 HB3 ASP 25 1HB ASP 25 -4.430 11.866 -11.324 211 H LYS 26 H LYS 26 -3.371 10.747 -13.587 212 HA LYS 26 HA LYS 26 -4.003 12.587 -15.705 213 HB2 LYS 26 2HB LYS 26 -1.515 10.970 -15.116 214 HB3 LYS 26 1HB LYS 26 -1.639 12.160 -16.403 215 HG2 LYS 26 2HG LYS 26 -1.875 13.941 -14.860 216 HG3 LYS 26 1HG LYS 26 -2.116 12.829 -13.513 217 HD2 LYS 26 2HD LYS 26 0.138 13.780 -13.488 218 HD3 LYS 26 1HD LYS 26 0.187 12.037 -13.746 219 HE2 LYS 26 2HE LYS 26 0.483 12.412 -16.151 220 HE3 LYS 26 1HE LYS 26 0.436 14.153 -15.883 221 HZ1 LYS 26 1HZ LYS 26 2.702 13.277 -16.081 222 HZ2 LYS 26 2HZ LYS 26 2.460 12.316 -14.717 223 HZ3 LYS 26 3HZ LYS 26 2.437 13.997 -14.579 224 H GLY 27 H GLY 27 -4.132 9.214 -15.278 225 HA2 GLY 27 2HA GLY 27 -4.981 7.592 -16.684 226 HA3 GLY 27 1HA GLY 27 -5.164 8.819 -17.926 227 H ASP 28 H ASP 28 -2.075 8.377 -16.433 228 HA ASP 28 HA ASP 28 -1.023 7.519 -19.012 229 HB2 ASP 28 2HB ASP 28 0.026 9.424 -17.747 230 HB3 ASP 28 1HB ASP 28 0.542 8.256 -16.535 231 H ASP 29 H ASP 29 -1.496 5.387 -19.178 232 HA ASP 29 HA ASP 29 -1.297 3.508 -17.074 233 HB2 ASP 29 2HB ASP 29 -1.668 1.801 -18.735 234 HB3 ASP 29 1HB ASP 29 -2.680 3.185 -19.128 235 H ASP 30 H ASP 30 1.048 4.760 -19.282 236 HA ASP 30 HA ASP 30 2.924 2.660 -19.234 237 HB2 ASP 30 2HB ASP 30 3.094 4.372 -20.910 238 HB3 ASP 30 1HB ASP 30 3.254 5.627 -19.690 239 H SER 31 H SER 31 2.781 5.653 -17.320 240 HA SER 31 HA SER 31 4.966 4.911 -15.649 241 HB2 SER 31 2HB SER 31 2.820 6.957 -15.072 242 HB3 SER 31 1HB SER 31 4.450 6.895 -14.398 243 HG SER 31 HG SER 31 3.625 7.506 -17.033 244 H LEU 32 H LEU 32 1.510 4.496 -15.521 245 HA LEU 32 HA LEU 32 1.158 3.915 -12.802 246 HB2 LEU 32 2HB LEU 32 -0.632 4.347 -14.508 247 HB3 LEU 32 1HB LEU 32 -0.352 2.736 -15.135 248 HG LEU 32 HG LEU 32 -0.947 1.896 -12.794 249 HD11 LEU 32 1HD1 LEU 32 -0.738 4.015 -11.628 250 HD12 LEU 32 2HD1 LEU 32 -2.373 3.372 -11.475 251 HD13 LEU 32 3HD1 LEU 32 -2.044 4.693 -12.598 252 HD21 LEU 32 1HD2 LEU 32 -3.068 3.265 -14.446 253 HD22 LEU 32 2HD2 LEU 32 -3.334 1.974 -13.273 254 HD23 LEU 32 3HD2 LEU 32 -2.409 1.657 -14.739 255 H GLU 33 H GLU 33 1.834 1.805 -15.562 256 HA GLU 33 HA GLU 33 1.757 -0.649 -14.232 257 HB2 GLU 33 2HB GLU 33 1.723 -0.274 -16.697 258 HB3 GLU 33 1HB GLU 33 3.431 0.124 -16.621 259 HG2 GLU 33 2HG GLU 33 3.190 -2.116 -17.374 260 HG3 GLU 33 1HG GLU 33 3.874 -2.135 -15.749 261 H GLN 34 H GLN 34 4.413 1.603 -14.834 262 HA GLN 34 HA GLN 34 6.502 -0.014 -13.868 263 HB2 GLN 34 2HB GLN 34 6.286 2.986 -14.044 264 HB3 GLN 34 1HB GLN 34 7.771 2.113 -13.690 265 HG2 GLN 34 2HG GLN 34 7.700 1.046 -15.854 266 HG3 GLN 34 1HG GLN 34 6.154 1.815 -16.206 267 HE21 GLN 34 1HE2 GLN 34 6.969 2.829 -18.014 268 HE22 GLN 34 2HE2 GLN 34 8.050 4.175 -17.915 269 H VAL 35 H VAL 35 4.577 2.501 -12.253 270 HA VAL 35 HA VAL 35 5.961 2.380 -9.800 271 HB VAL 35 HB VAL 35 3.096 3.235 -10.300 272 HG11 VAL 35 1HG1 VAL 35 3.290 4.458 -8.183 273 HG12 VAL 35 2HG1 VAL 35 4.897 3.776 -7.934 274 HG13 VAL 35 3HG1 VAL 35 3.484 2.723 -7.935 275 HG21 VAL 35 1HG2 VAL 35 4.051 5.508 -10.253 276 HG22 VAL 35 2HG2 VAL 35 4.675 4.537 -11.587 277 HG23 VAL 35 3HG2 VAL 35 5.664 4.806 -10.152 278 H LEU 36 H LEU 36 3.255 0.495 -11.048 279 HA LEU 36 HA LEU 36 2.504 -0.767 -8.652 280 HB2 LEU 36 2HB LEU 36 2.438 -1.824 -11.481 281 HB3 LEU 36 1HB LEU 36 1.660 -2.605 -10.122 282 HG LEU 36 HG LEU 36 0.966 0.143 -11.165 283 HD11 LEU 36 1HD1 LEU 36 -0.453 -2.494 -11.486 284 HD12 LEU 36 2HD1 LEU 36 0.358 -1.582 -12.759 285 HD13 LEU 36 3HD1 LEU 36 -1.082 -0.923 -11.981 286 HD21 LEU 36 1HD2 LEU 36 -0.997 -0.077 -9.706 287 HD22 LEU 36 2HD2 LEU 36 0.508 -0.075 -8.790 288 HD23 LEU 36 3HD2 LEU 36 -0.349 -1.591 -9.074 289 H GLU 37 H GLU 37 5.056 -1.461 -10.954 290 HA GLU 37 HA GLU 37 5.882 -3.926 -9.811 291 HB2 GLU 37 2HB GLU 37 6.420 -3.128 -12.132 292 HB3 GLU 37 1HB GLU 37 7.534 -1.970 -11.421 293 HG2 GLU 37 2HG GLU 37 8.729 -3.899 -12.234 294 HG3 GLU 37 1HG GLU 37 8.834 -3.815 -10.476 295 H GLU 38 H GLU 38 6.759 -0.560 -9.323 296 HA GLU 38 HA GLU 38 8.980 -0.968 -7.621 297 HB2 GLU 38 2HB GLU 38 7.095 1.395 -7.687 298 HB3 GLU 38 1HB GLU 38 8.730 1.390 -7.051 299 HG2 GLU 38 2HG GLU 38 7.925 1.025 -9.924 300 HG3 GLU 38 1HG GLU 38 8.668 2.456 -9.209 301 H ILE 39 H ILE 39 5.553 -0.578 -7.058 302 HA ILE 39 HA ILE 39 5.577 -0.335 -4.278 303 HB ILE 39 HB ILE 39 3.450 -1.518 -6.078 304 HG12 ILE 39 2HG1 ILE 39 3.688 1.237 -4.851 305 HG13 ILE 39 1HG1 ILE 39 4.101 0.848 -6.517 306 HG21 ILE 39 1HG2 ILE 39 3.129 -2.263 -3.783 307 HG22 ILE 39 2HG2 ILE 39 1.899 -1.081 -4.229 308 HG23 ILE 39 3HG2 ILE 39 3.254 -0.600 -3.210 309 HD11 ILE 39 1HD1 ILE 39 1.376 0.617 -5.262 310 HD12 ILE 39 2HD1 ILE 39 1.776 0.203 -6.928 311 HD13 ILE 39 3HD1 ILE 39 1.915 1.872 -6.376 312 H GLU 40 H GLU 40 5.679 -3.211 -6.336 313 HA GLU 40 HA GLU 40 5.085 -5.125 -4.372 314 HB2 GLU 40 2HB GLU 40 5.190 -5.625 -6.800 315 HB3 GLU 40 1HB GLU 40 6.940 -5.475 -6.736 316 HG2 GLU 40 2HG GLU 40 7.043 -7.353 -5.166 317 HG3 GLU 40 1HG GLU 40 5.290 -7.506 -5.243 318 H GLU 41 H GLU 41 8.157 -3.630 -5.267 319 HA GLU 41 HA GLU 41 9.776 -5.204 -3.563 320 HB2 GLU 41 2HB GLU 41 10.721 -3.884 -5.396 321 HB3 GLU 41 1HB GLU 41 10.225 -2.399 -4.597 322 HG2 GLU 41 2HG GLU 41 11.723 -2.883 -2.742 323 HG3 GLU 41 1HG GLU 41 12.211 -4.386 -3.520 324 H LEU 42 H LEU 42 8.148 -2.099 -3.157 325 HA LEU 42 HA LEU 42 9.115 -1.489 -0.591 326 HB2 LEU 42 2HB LEU 42 6.479 -0.743 -1.854 327 HB3 LEU 42 1HB LEU 42 7.158 0.003 -0.423 328 HG LEU 42 HG LEU 42 8.374 0.103 -3.183 329 HD11 LEU 42 1HD1 LEU 42 6.914 2.213 -1.598 330 HD12 LEU 42 2HD1 LEU 42 6.320 1.399 -3.045 331 HD13 LEU 42 3HD1 LEU 42 7.724 2.461 -3.144 332 HD21 LEU 42 1HD2 LEU 42 10.064 0.196 -1.440 333 HD22 LEU 42 2HD2 LEU 42 9.164 1.464 -0.608 334 HD23 LEU 42 3HD2 LEU 42 9.875 1.780 -2.191 335 H ILE 43 H ILE 43 6.257 -3.272 -1.657 336 HA ILE 43 HA ILE 43 5.098 -3.730 0.863 337 HB ILE 43 HB ILE 43 5.027 -5.489 -1.604 338 HG12 ILE 43 2HG1 ILE 43 2.998 -3.484 -0.599 339 HG13 ILE 43 1HG1 ILE 43 4.143 -3.180 -1.900 340 HG21 ILE 43 1HG2 ILE 43 3.248 -5.532 0.835 341 HG22 ILE 43 2HG2 ILE 43 4.419 -6.768 0.375 342 HG23 ILE 43 3HG2 ILE 43 3.000 -6.480 -0.631 343 HD11 ILE 43 1HD1 ILE 43 2.004 -5.297 -1.913 344 HD12 ILE 43 2HD1 ILE 43 3.126 -4.942 -3.226 345 HD13 ILE 43 3HD1 ILE 43 1.925 -3.745 -2.745 346 H GLN 44 H GLN 44 7.463 -5.605 -0.999 347 HA GLN 44 HA GLN 44 7.642 -7.764 0.766 348 HB2 GLN 44 2HB GLN 44 8.433 -7.629 -1.630 349 HB3 GLN 44 1HB GLN 44 9.832 -6.750 -1.031 350 HG2 GLN 44 2HG GLN 44 10.351 -9.076 -1.353 351 HG3 GLN 44 1HG GLN 44 10.433 -8.643 0.356 352 HE21 GLN 44 1HE2 GLN 44 10.142 -10.773 1.008 353 HE22 GLN 44 2HE2 GLN 44 8.612 -11.569 0.893 354 H LYS 45 H LYS 45 9.527 -4.771 0.494 355 HA LYS 45 HA LYS 45 11.387 -5.359 2.521 356 HB2 LYS 45 2HB LYS 45 10.405 -2.741 1.398 357 HB3 LYS 45 1HB LYS 45 11.670 -2.836 2.616 358 HG2 LYS 45 2HG LYS 45 13.079 -4.098 1.134 359 HG3 LYS 45 1HG LYS 45 11.791 -4.187 -0.068 360 HD2 LYS 45 2HD LYS 45 11.888 -1.814 -0.428 361 HD3 LYS 45 1HD LYS 45 13.028 -1.618 0.906 362 HE2 LYS 45 2HE LYS 45 14.712 -2.855 -0.281 363 HE3 LYS 45 1HE LYS 45 13.573 -3.253 -1.565 364 HZ1 LYS 45 1HZ LYS 45 14.421 -0.488 -0.898 365 HZ2 LYS 45 2HZ LYS 45 13.498 -0.976 -2.229 366 HZ3 LYS 45 3HZ LYS 45 15.116 -1.429 -2.116 367 H HIS 46 H HIS 46 8.212 -3.836 2.637 368 HA HIS 46 HA HIS 46 8.208 -3.058 5.329 369 HB2 HIS 46 2HB HIS 46 6.462 -2.391 3.704 370 HB3 HIS 46 1HB HIS 46 5.889 -4.052 3.638 371 HD1 HIS 46 1HD HIS 46 4.029 -4.612 5.250 372 HD2 HIS 46 2HD HIS 46 6.113 -1.197 6.356 373 HE1 HIS 46 1HE HIS 46 2.790 -3.635 7.219 374 H ARG 47 H ARG 47 7.415 -6.114 3.773 375 HA ARG 47 HA ARG 47 6.578 -7.495 6.103 376 HB2 ARG 47 2HB ARG 47 7.738 -8.615 3.544 377 HB3 ARG 47 1HB ARG 47 6.859 -9.529 4.759 378 HG2 ARG 47 2HG ARG 47 4.847 -8.254 4.294 379 HG3 ARG 47 1HG ARG 47 5.724 -7.278 3.114 380 HD2 ARG 47 2HD ARG 47 4.493 -8.944 1.923 381 HD3 ARG 47 1HD ARG 47 6.200 -9.370 1.844 382 HE ARG 47 HE ARG 47 5.136 -10.702 4.035 383 HH11 ARG 47 1HH1 ARG 47 4.740 -10.708 0.545 384 HH12 ARG 47 2HH1 ARG 47 4.180 -12.338 0.475 385 HH21 ARG 47 1HH2 ARG 47 4.389 -12.861 3.955 386 HH22 ARG 47 2HH2 ARG 47 3.972 -13.573 2.434 387 H GLN 48 H GLN 48 9.690 -7.065 4.521 388 HA GLN 48 HA GLN 48 11.153 -9.024 5.895 389 HB2 GLN 48 2HB GLN 48 12.059 -6.410 4.698 390 HB3 GLN 48 1HB GLN 48 13.151 -7.648 5.297 391 HG2 GLN 48 2HG GLN 48 12.344 -9.204 3.630 392 HG3 GLN 48 1HG GLN 48 11.170 -8.014 3.064 393 HE21 GLN 48 1HE2 GLN 48 12.035 -7.996 1.000 394 HE22 GLN 48 2HE2 GLN 48 13.547 -7.249 0.634 395 H LEU 49 H LEU 49 10.563 -5.621 6.678 396 HA LEU 49 HA LEU 49 12.352 -5.487 8.841 397 HB2 LEU 49 2HB LEU 49 9.832 -3.912 8.339 398 HB3 LEU 49 1HB LEU 49 11.031 -3.513 9.554 399 HG LEU 49 HG LEU 49 11.482 -3.531 6.568 400 HD11 LEU 49 1HD1 LEU 49 11.699 -1.119 6.815 401 HD12 LEU 49 2HD1 LEU 49 11.306 -1.256 8.529 402 HD13 LEU 49 3HD1 LEU 49 10.101 -1.676 7.312 403 HD21 LEU 49 1HD2 LEU 49 13.665 -2.535 7.119 404 HD22 LEU 49 2HD2 LEU 49 13.507 -4.177 7.739 405 HD23 LEU 49 3HD2 LEU 49 13.341 -2.802 8.832 406 H PHE 50 H PHE 50 8.898 -6.272 8.762 407 HA PHE 50 HA PHE 50 8.729 -6.605 11.598 408 HB2 PHE 50 2HB PHE 50 6.873 -7.335 9.339 409 HB3 PHE 50 1HB PHE 50 6.508 -7.720 11.016 410 HD1 PHE 50 1HD PHE 50 7.190 -4.916 8.691 411 HD2 PHE 50 2HD PHE 50 5.590 -6.113 12.446 412 HE1 PHE 50 1HE PHE 50 6.236 -2.671 8.995 413 HE2 PHE 50 2HE PHE 50 4.633 -3.868 12.758 414 HZ PHE 50 HZ PHE 50 4.956 -2.144 11.031 415 H ASP 51 H ASP 51 9.235 -8.755 8.866 416 HA ASP 51 HA ASP 51 8.934 -11.187 10.306 417 HB2 ASP 51 2HB ASP 51 8.783 -10.899 7.801 418 HB3 ASP 51 1HB ASP 51 10.536 -10.751 7.780 419 H ASN 52 H ASN 52 11.698 -9.156 9.497 420 HA ASN 52 HA ASN 52 13.686 -10.928 10.507 421 HB2 ASN 52 2HB ASN 52 14.289 -9.269 8.859 422 HB3 ASN 52 1HB ASN 52 13.751 -7.966 9.908 423 HD21 ASN 52 1HD2 ASN 52 16.222 -10.334 9.320 424 HD22 ASN 52 2HD2 ASN 52 17.410 -9.640 10.361 425 H ARG 53 H ARG 53 11.919 -8.206 11.888 426 HA ARG 53 HA ARG 53 13.414 -8.153 14.322 427 HB2 ARG 53 2HB ARG 53 12.149 -6.198 13.464 428 HB3 ARG 53 1HB ARG 53 10.648 -7.060 13.768 429 HG2 ARG 53 2HG ARG 53 11.175 -7.117 16.164 430 HG3 ARG 53 1HG ARG 53 12.665 -6.229 15.846 431 HD2 ARG 53 2HD ARG 53 11.030 -4.663 16.598 432 HD3 ARG 53 1HD ARG 53 11.278 -4.402 14.875 433 HE ARG 53 HE ARG 53 9.004 -5.984 15.882 434 HH11 ARG 53 1HH1 ARG 53 10.280 -3.351 13.933 435 HH12 ARG 53 2HH1 ARG 53 8.745 -2.916 13.274 436 HH21 ARG 53 1HH2 ARG 53 6.937 -5.395 15.027 437 HH22 ARG 53 2HH2 ARG 53 6.838 -4.089 13.893 438 H GLN 54 H GLN 54 10.782 -9.986 13.119 439 HA GLN 54 HA GLN 54 9.594 -11.729 13.904 440 HB2 GLN 54 2HB GLN 54 11.648 -12.578 14.968 441 HB3 GLN 54 1HB GLN 54 11.347 -11.562 16.372 442 HG2 GLN 54 2HG GLN 54 9.172 -12.798 16.651 443 HG3 GLN 54 1HG GLN 54 9.751 -13.924 15.427 444 HE21 GLN 54 1HE2 GLN 54 9.094 -14.338 18.233 445 HE22 GLN 54 2HE2 GLN 54 10.505 -15.008 18.969 446 H GLU 55 H GLU 55 7.716 -10.671 13.966 447 HA GLU 55 HA GLU 55 6.995 -9.187 16.361 448 HB2 GLU 55 2HB GLU 55 6.551 -8.286 14.045 449 HB3 GLU 55 1HB GLU 55 5.388 -9.586 13.831 450 HG2 GLU 55 2HG GLU 55 4.377 -7.416 14.452 451 HG3 GLU 55 1HG GLU 55 4.003 -8.725 15.574 452 H ALA 56 H ALA 56 5.071 -9.687 17.535 453 HA ALA 56 HA ALA 56 4.555 -12.563 17.637 454 HB1 ALA 56 1HB ALA 56 3.500 -12.084 19.797 455 HB2 ALA 56 2HB ALA 56 3.738 -10.356 19.531 456 HB3 ALA 56 3HB ALA 56 5.131 -11.419 19.721 457 H ALA 57 H ALA 57 3.502 -10.769 15.555 458 HA ALA 57 HA ALA 57 0.661 -11.404 15.870 459 HB1 ALA 57 1HB ALA 57 1.015 -9.002 16.343 460 HB2 ALA 57 2HB ALA 57 0.025 -9.272 14.911 461 HB3 ALA 57 3HB ALA 57 1.719 -8.811 14.737 462 H ASP 58 H ASP 58 2.341 -13.070 14.576 463 HA ASP 58 HA ASP 58 2.809 -12.561 11.849 464 HB2 ASP 58 2HB ASP 58 3.961 -14.383 12.882 465 HB3 ASP 58 1HB ASP 58 2.451 -15.146 13.368 466 H THR 59 H THR 59 0.062 -14.062 13.501 467 HA THR 59 HA THR 59 -1.332 -14.712 11.129 468 HB THR 59 HB THR 59 -1.843 -15.759 13.333 469 HG1 THR 59 1HG THR 59 -4.079 -15.817 12.985 470 HG21 THR 59 1HG2 THR 59 -3.169 -13.115 13.961 471 HG22 THR 59 2HG2 THR 59 -1.714 -13.741 14.733 472 HG23 THR 59 3HG2 THR 59 -3.252 -14.575 14.946 473 H GLU 60 H GLU 60 -1.060 -11.790 13.000 474 HA GLU 60 HA GLU 60 -3.316 -10.445 11.882 475 HB2 GLU 60 2HB GLU 60 -2.177 -9.826 14.038 476 HB3 GLU 60 1HB GLU 60 -0.823 -9.239 13.086 477 HG2 GLU 60 2HG GLU 60 -2.128 -7.363 13.682 478 HG3 GLU 60 1HG GLU 60 -2.405 -7.663 11.967 479 H ALA 61 H ALA 61 0.161 -10.478 11.257 480 HA ALA 61 HA ALA 61 0.122 -8.647 9.102 481 HB1 ALA 61 1HB ALA 61 2.376 -9.472 8.623 482 HB2 ALA 61 2HB ALA 61 2.121 -10.822 9.728 483 HB3 ALA 61 3HB ALA 61 2.163 -9.172 10.348 484 H ALA 62 H ALA 62 -0.158 -12.149 9.326 485 HA ALA 62 HA ALA 62 -0.042 -12.739 6.592 486 HB1 ALA 62 1HB ALA 62 -1.579 -14.203 8.737 487 HB2 ALA 62 2HB ALA 62 0.129 -14.435 8.365 488 HB3 ALA 62 3HB ALA 62 -1.098 -14.851 7.169 489 H LYS 63 H LYS 63 -2.793 -11.940 8.699 490 HA LYS 63 HA LYS 63 -4.690 -12.210 6.600 491 HB2 LYS 63 2HB LYS 63 -5.364 -12.439 8.948 492 HB3 LYS 63 1HB LYS 63 -4.958 -10.753 9.238 493 HG2 LYS 63 2HG LYS 63 -7.373 -11.090 8.970 494 HG3 LYS 63 1HG LYS 63 -6.710 -10.035 7.720 495 HD2 LYS 63 2HD LYS 63 -6.565 -12.079 6.239 496 HD3 LYS 63 1HD LYS 63 -7.496 -12.935 7.467 497 HE2 LYS 63 2HE LYS 63 -9.329 -11.378 7.197 498 HE3 LYS 63 1HE LYS 63 -8.382 -10.425 6.056 499 HZ1 LYS 63 1HZ LYS 63 -8.321 -12.381 4.585 500 HZ2 LYS 63 2HZ LYS 63 -9.893 -11.823 4.865 501 HZ3 LYS 63 3HZ LYS 63 -9.337 -13.207 5.664 502 H GLN 64 H GLN 64 -2.829 -9.530 7.907 503 HA GLN 64 HA GLN 64 -4.169 -7.465 6.531 504 HB2 GLN 64 2HB GLN 64 -2.533 -7.152 8.427 505 HB3 GLN 64 1HB GLN 64 -1.238 -7.543 7.310 506 HG2 GLN 64 2HG GLN 64 -3.123 -5.271 6.771 507 HG3 GLN 64 1HG GLN 64 -1.726 -5.073 7.822 508 HE21 GLN 64 1HE2 GLN 64 -2.382 -3.856 5.230 509 HE22 GLN 64 2HE2 GLN 64 -1.049 -4.218 4.193 510 H GLY 65 H GLY 65 -1.385 -9.481 5.721 511 HA2 GLY 65 2HA GLY 65 -0.918 -8.358 3.167 512 HA3 GLY 65 1HA GLY 65 -0.373 -9.937 3.719 513 H ASP 66 H ASP 66 -2.968 -10.961 4.320 514 HA ASP 66 HA ASP 66 -3.677 -12.107 1.860 515 HB2 ASP 66 2HB ASP 66 -4.183 -13.268 3.892 516 HB3 ASP 66 1HB ASP 66 -5.115 -11.913 4.509 517 H GLN 67 H GLN 67 -5.203 -9.497 3.722 518 HA GLN 67 HA GLN 67 -7.214 -9.005 1.753 519 HB2 GLN 67 2HB GLN 67 -7.605 -8.400 4.081 520 HB3 GLN 67 1HB GLN 67 -6.244 -7.288 4.047 521 HG2 GLN 67 2HG GLN 67 -7.389 -5.865 2.468 522 HG3 GLN 67 1HG GLN 67 -8.722 -7.011 2.357 523 HE21 GLN 67 1HE2 GLN 67 -7.140 -6.293 5.383 524 HE22 GLN 67 2HE2 GLN 67 -8.460 -5.427 6.080 525 H TRP 68 H TRP 68 -3.988 -7.823 2.368 526 HA TRP 68 HA TRP 68 -4.078 -5.495 0.813 527 HB2 TRP 68 2HB TRP 68 -2.455 -6.065 2.616 528 HB3 TRP 68 1HB TRP 68 -1.729 -7.240 1.531 529 HD1 TRP 68 HD TRP 68 0.150 -6.424 0.131 530 HE1 TRP 68 1HE TRP 68 1.176 -4.116 -0.452 531 HE3 TRP 68 3HE TRP 68 -3.379 -3.439 2.248 532 HZ2 TRP 68 2HZ TRP 68 0.541 -1.397 -0.051 533 HZ3 TRP 68 3HZ TRP 68 -3.112 -0.996 2.109 534 HH2 TRP 68 HH TRP 68 -1.193 0.001 0.982 535 H VAL 69 H VAL 69 -2.874 -8.788 0.122 536 HA VAL 69 HA VAL 69 -2.163 -8.248 -2.564 537 HB VAL 69 HB VAL 69 -2.894 -10.909 -1.301 538 HG11 VAL 69 1HG1 VAL 69 -1.442 -10.307 -3.881 539 HG12 VAL 69 2HG1 VAL 69 -3.047 -11.023 -3.728 540 HG13 VAL 69 3HG1 VAL 69 -1.628 -11.907 -3.164 541 HG21 VAL 69 1HG2 VAL 69 -0.207 -9.607 -1.742 542 HG22 VAL 69 2HG2 VAL 69 -0.469 -11.233 -1.115 543 HG23 VAL 69 3HG2 VAL 69 -1.011 -9.833 -0.189 544 H GLN 70 H GLN 70 -5.131 -9.408 -1.050 545 HA GLN 70 HA GLN 70 -6.574 -10.019 -3.378 546 HB2 GLN 70 2HB GLN 70 -7.343 -10.698 -1.168 547 HB3 GLN 70 1HB GLN 70 -7.531 -9.018 -0.688 548 HG2 GLN 70 2HG GLN 70 -9.266 -8.766 -2.438 549 HG3 GLN 70 1HG GLN 70 -9.125 -10.492 -2.763 550 HE21 GLN 70 1HE2 GLN 70 -11.277 -10.828 -2.201 551 HE22 GLN 70 2HE2 GLN 70 -11.818 -10.789 -0.560 552 H LEU 71 H LEU 71 -6.077 -7.001 -1.616 553 HA LEU 71 HA LEU 71 -7.882 -5.398 -2.996 554 HB2 LEU 71 2HB LEU 71 -6.915 -4.721 -0.902 555 HB3 LEU 71 1HB LEU 71 -5.297 -4.804 -1.568 556 HG LEU 71 HG LEU 71 -5.912 -2.962 -3.092 557 HD11 LEU 71 1HD1 LEU 71 -7.855 -1.566 -2.504 558 HD12 LEU 71 2HD1 LEU 71 -8.346 -2.779 -1.320 559 HD13 LEU 71 3HD1 LEU 71 -8.331 -3.178 -3.038 560 HD21 LEU 71 1HD2 LEU 71 -4.599 -2.554 -1.100 561 HD22 LEU 71 2HD2 LEU 71 -6.069 -2.415 -0.134 562 HD23 LEU 71 3HD2 LEU 71 -5.709 -1.210 -1.370 563 H PHE 72 H PHE 72 -4.468 -6.176 -3.576 564 HA PHE 72 HA PHE 72 -4.174 -4.461 -5.807 565 HB2 PHE 72 2HB PHE 72 -2.576 -6.716 -4.690 566 HB3 PHE 72 1HB PHE 72 -2.214 -6.139 -6.315 567 HD1 PHE 72 1HD PHE 72 -2.240 -5.280 -2.758 568 HD2 PHE 72 2HD PHE 72 -1.267 -3.978 -6.686 569 HE1 PHE 72 1HE PHE 72 -0.933 -3.427 -1.818 570 HE2 PHE 72 2HE PHE 72 0.045 -2.124 -5.752 571 HZ PHE 72 HZ PHE 72 0.210 -1.848 -3.315 572 H GLN 73 H GLN 73 -4.986 -7.896 -5.551 573 HA GLN 73 HA GLN 73 -5.048 -8.415 -8.318 574 HB2 GLN 73 2HB GLN 73 -6.629 -9.677 -6.071 575 HB3 GLN 73 1HB GLN 73 -6.587 -10.297 -7.714 576 HG2 GLN 73 2HG GLN 73 -4.258 -10.067 -5.822 577 HG3 GLN 73 1HG GLN 73 -5.081 -11.548 -6.306 578 HE21 GLN 73 1HE2 GLN 73 -4.766 -12.347 -8.397 579 HE22 GLN 73 2HE2 GLN 73 -3.432 -11.842 -9.370 580 H ARG 74 H ARG 74 -7.547 -7.366 -6.073 581 HA ARG 74 HA ARG 74 -9.700 -7.168 -7.841 582 HB2 ARG 74 2HB ARG 74 -10.008 -7.071 -5.457 583 HB3 ARG 74 1HB ARG 74 -8.980 -5.658 -5.327 584 HG2 ARG 74 2HG ARG 74 -10.673 -4.350 -6.547 585 HG3 ARG 74 1HG ARG 74 -11.709 -5.780 -6.593 586 HD2 ARG 74 2HD ARG 74 -11.928 -5.823 -4.235 587 HD3 ARG 74 1HD ARG 74 -10.620 -4.664 -4.021 588 HE ARG 74 HE ARG 74 -12.925 -3.694 -5.483 589 HH11 ARG 74 1HH1 ARG 74 -11.346 -3.980 -2.363 590 HH12 ARG 74 2HH1 ARG 74 -12.175 -2.627 -1.663 591 HH21 ARG 74 1HH2 ARG 74 -14.034 -1.888 -4.551 592 HH22 ARG 74 2HH2 ARG 74 -13.713 -1.441 -2.904 593 H PHE 75 H PHE 75 -7.196 -4.839 -6.952 594 HA PHE 75 HA PHE 75 -8.149 -2.660 -8.463 595 HB2 PHE 75 2HB PHE 75 -6.495 -2.482 -6.614 596 HB3 PHE 75 1HB PHE 75 -5.308 -3.300 -7.618 597 HD1 PHE 75 1HD PHE 75 -7.310 -0.213 -7.268 598 HD2 PHE 75 2HD PHE 75 -4.020 -2.101 -9.196 599 HE1 PHE 75 1HE PHE 75 -6.573 1.967 -8.132 600 HE2 PHE 75 2HE PHE 75 -3.278 0.079 -10.064 601 HZ PHE 75 HZ PHE 75 -4.554 2.116 -9.532 602 H ARG 76 H ARG 76 -5.812 -5.209 -9.189 603 HA ARG 76 HA ARG 76 -5.020 -4.264 -11.722 604 HB2 ARG 76 2HB ARG 76 -3.836 -5.980 -10.325 605 HB3 ARG 76 1HB ARG 76 -5.078 -7.132 -10.783 606 HG2 ARG 76 2HG ARG 76 -3.092 -7.451 -12.122 607 HG3 ARG 76 1HG ARG 76 -4.423 -6.891 -13.135 608 HD2 ARG 76 2HD ARG 76 -3.487 -4.789 -13.427 609 HD3 ARG 76 1HD ARG 76 -2.506 -4.911 -11.967 610 HE ARG 76 HE ARG 76 -1.601 -6.883 -13.679 611 HH11 ARG 76 1HH1 ARG 76 -1.851 -3.374 -13.867 612 HH12 ARG 76 2HH1 ARG 76 -0.379 -3.202 -14.771 613 HH21 ARG 76 1HH2 ARG 76 0.356 -6.626 -14.835 614 HH22 ARG 76 2HH2 ARG 76 0.884 -5.030 -15.279 615 H GLU 77 H GLU 77 -7.526 -6.590 -10.753 616 HA GLU 77 HA GLU 77 -8.337 -7.285 -13.356 617 HB2 GLU 77 2HB GLU 77 -9.784 -7.387 -10.716 618 HB3 GLU 77 1HB GLU 77 -10.484 -7.991 -12.211 619 HG2 GLU 77 2HG GLU 77 -8.685 -9.591 -12.446 620 HG3 GLU 77 1HG GLU 77 -7.900 -8.948 -11.005 621 H ALA 78 H ALA 78 -9.409 -4.713 -11.177 622 HA ALA 78 HA ALA 78 -11.567 -3.819 -12.740 623 HB1 ALA 78 1HB ALA 78 -11.392 -1.733 -11.475 624 HB2 ALA 78 2HB ALA 78 -9.810 -2.229 -10.872 625 HB3 ALA 78 3HB ALA 78 -11.252 -3.136 -10.417 626 H ILE 79 H ILE 79 -8.121 -3.101 -12.849 627 HA ILE 79 HA ILE 79 -8.237 -1.032 -14.787 628 HB ILE 79 HB ILE 79 -5.994 -2.988 -14.201 629 HG12 ILE 79 2HG1 ILE 79 -6.414 -0.137 -13.277 630 HG13 ILE 79 1HG1 ILE 79 -6.615 -1.577 -12.283 631 HG21 ILE 79 1HG2 ILE 79 -5.925 -0.407 -15.768 632 HG22 ILE 79 2HG2 ILE 79 -5.737 -2.033 -16.426 633 HG23 ILE 79 3HG2 ILE 79 -4.520 -1.380 -15.329 634 HD11 ILE 79 1HD1 ILE 79 -4.496 -0.481 -11.841 635 HD12 ILE 79 2HD1 ILE 79 -4.043 -0.644 -13.538 636 HD13 ILE 79 3HD1 ILE 79 -4.242 -2.082 -12.536 637 H ASP 80 H ASP 80 -7.792 -4.538 -15.015 638 HA ASP 80 HA ASP 80 -7.472 -4.670 -17.814 639 HB2 ASP 80 2HB ASP 80 -6.873 -6.521 -16.283 640 HB3 ASP 80 1HB ASP 80 -8.582 -6.790 -15.957 641 H LYS 81 H LYS 81 -10.298 -4.677 -15.746 642 HA LYS 81 HA LYS 81 -12.159 -5.252 -17.841 643 HB2 LYS 81 2HB LYS 81 -12.617 -5.800 -15.488 644 HB3 LYS 81 1HB LYS 81 -12.556 -4.096 -15.070 645 HG2 LYS 81 2HG LYS 81 -14.843 -4.858 -15.181 646 HG3 LYS 81 1HG LYS 81 -14.529 -3.694 -16.469 647 HD2 LYS 81 2HD LYS 81 -14.226 -5.545 -18.048 648 HD3 LYS 81 1HD LYS 81 -14.579 -6.694 -16.757 649 HE2 LYS 81 2HE LYS 81 -16.801 -5.713 -16.488 650 HE3 LYS 81 1HE LYS 81 -16.448 -4.553 -17.766 651 HZ1 LYS 81 1HZ LYS 81 -17.755 -6.383 -18.595 652 HZ2 LYS 81 2HZ LYS 81 -16.596 -7.499 -18.083 653 HZ3 LYS 81 3HZ LYS 81 -16.225 -6.408 -19.313 654 H GLY 82 H GLY 82 -10.435 -2.494 -16.885 655 HA2 GLY 82 2HA GLY 82 -10.415 -0.363 -17.739 656 HA3 GLY 82 1HA GLY 82 -11.636 -0.874 -18.894 657 H ASP 83 H ASP 83 -12.106 -1.206 -15.462 658 HA ASP 83 HA ASP 83 -14.282 0.745 -15.673 659 HB2 ASP 83 2HB ASP 83 -14.785 -1.605 -14.905 660 HB3 ASP 83 1HB ASP 83 -13.833 -1.267 -13.462 661 H LYS 84 H LYS 84 -13.338 2.670 -15.323 662 HA LYS 84 HA LYS 84 -11.305 3.093 -13.367 663 HB2 LYS 84 2HB LYS 84 -13.003 5.073 -14.890 664 HB3 LYS 84 1HB LYS 84 -11.645 5.510 -13.867 665 HG2 LYS 84 2HG LYS 84 -10.192 4.104 -15.342 666 HG3 LYS 84 1HG LYS 84 -11.579 3.922 -16.421 667 HD2 LYS 84 2HD LYS 84 -11.692 6.339 -16.707 668 HD3 LYS 84 1HD LYS 84 -10.343 6.547 -15.590 669 HE2 LYS 84 2HE LYS 84 -9.465 6.720 -17.793 670 HE3 LYS 84 1HE LYS 84 -8.957 5.160 -17.153 671 HZ1 LYS 84 1HZ LYS 84 -10.774 4.124 -18.397 672 HZ2 LYS 84 2HZ LYS 84 -9.721 4.956 -19.422 673 HZ3 LYS 84 3HZ LYS 84 -11.213 5.630 -19.023 674 H ASP 85 H ASP 85 -14.746 3.175 -13.317 675 HA ASP 85 HA ASP 85 -15.155 4.878 -11.118 676 HB2 ASP 85 2HB ASP 85 -16.957 4.121 -12.646 677 HB3 ASP 85 1HB ASP 85 -16.834 2.507 -11.951 678 H SER 86 H SER 86 -14.768 1.360 -11.301 679 HA SER 86 HA SER 86 -14.917 0.895 -8.519 680 HB2 SER 86 2HB SER 86 -13.465 -0.733 -10.623 681 HB3 SER 86 1HB SER 86 -13.977 -1.301 -9.035 682 HG SER 86 HG SER 86 -15.626 -0.453 -11.189 683 H LEU 87 H LEU 87 -12.261 1.641 -10.700 684 HA LEU 87 HA LEU 87 -10.133 1.286 -8.913 685 HB2 LEU 87 2HB LEU 87 -10.406 3.181 -11.248 686 HB3 LEU 87 1HB LEU 87 -8.901 2.868 -10.405 687 HG LEU 87 HG LEU 87 -10.499 0.797 -11.918 688 HD11 LEU 87 1HD1 LEU 87 -7.919 2.169 -12.650 689 HD12 LEU 87 2HD1 LEU 87 -9.483 2.453 -13.409 690 HD13 LEU 87 3HD1 LEU 87 -8.705 0.878 -13.556 691 HD21 LEU 87 1HD2 LEU 87 -7.795 0.672 -10.606 692 HD22 LEU 87 2HD2 LEU 87 -8.501 -0.583 -11.623 693 HD23 LEU 87 3HD2 LEU 87 -9.257 -0.169 -10.084 694 H GLU 88 H GLU 88 -12.210 4.056 -9.545 695 HA GLU 88 HA GLU 88 -10.937 5.943 -7.916 696 HB2 GLU 88 2HB GLU 88 -12.718 6.467 -9.551 697 HB3 GLU 88 1HB GLU 88 -13.890 5.660 -8.520 698 HG2 GLU 88 2HG GLU 88 -14.050 8.052 -8.275 699 HG3 GLU 88 1HG GLU 88 -13.486 7.321 -6.775 700 H GLN 89 H GLN 89 -13.358 3.481 -7.158 701 HA GLN 89 HA GLN 89 -13.729 4.204 -4.442 702 HB2 GLN 89 2HB GLN 89 -15.382 2.891 -5.605 703 HB3 GLN 89 1HB GLN 89 -14.205 1.640 -5.964 704 HG2 GLN 89 2HG GLN 89 -15.723 0.979 -4.212 705 HG3 GLN 89 1HG GLN 89 -14.068 1.064 -3.620 706 HE21 GLN 89 1HE2 GLN 89 -14.711 1.280 -1.514 707 HE22 GLN 89 2HE2 GLN 89 -15.428 2.730 -0.886 708 H LEU 90 H LEU 90 -11.649 1.933 -6.129 709 HA LEU 90 HA LEU 90 -10.484 0.663 -3.929 710 HB2 LEU 90 2HB LEU 90 -9.608 1.148 -6.748 711 HB3 LEU 90 1HB LEU 90 -8.550 0.341 -5.606 712 HG LEU 90 HG LEU 90 -11.327 -0.686 -6.003 713 HD11 LEU 90 1HD1 LEU 90 -10.592 -0.564 -8.249 714 HD12 LEU 90 2HD1 LEU 90 -10.322 -2.228 -7.729 715 HD13 LEU 90 3HD1 LEU 90 -8.972 -1.096 -7.819 716 HD21 LEU 90 1HD2 LEU 90 -8.690 -1.992 -5.362 717 HD22 LEU 90 2HD2 LEU 90 -10.270 -2.777 -5.392 718 HD23 LEU 90 3HD2 LEU 90 -9.924 -1.538 -4.188 719 H LEU 91 H LEU 91 -9.651 3.653 -5.581 720 HA LEU 91 HA LEU 91 -7.165 4.131 -4.390 721 HB2 LEU 91 2HB LEU 91 -9.260 6.121 -5.254 722 HB3 LEU 91 1HB LEU 91 -7.586 6.506 -4.911 723 HG LEU 91 HG LEU 91 -8.504 4.673 -7.124 724 HD11 LEU 91 1HD1 LEU 91 -7.597 7.541 -7.227 725 HD12 LEU 91 2HD1 LEU 91 -9.224 6.946 -7.542 726 HD13 LEU 91 3HD1 LEU 91 -7.901 6.507 -8.622 727 HD21 LEU 91 1HD2 LEU 91 -5.797 5.838 -6.472 728 HD22 LEU 91 2HD2 LEU 91 -6.188 4.917 -7.924 729 HD23 LEU 91 3HD2 LEU 91 -6.267 4.142 -6.341 730 H GLU 92 H GLU 92 -10.431 4.883 -3.303 731 HA GLU 92 HA GLU 92 -9.615 6.333 -1.009 732 HB2 GLU 92 2HB GLU 92 -12.210 5.090 -1.845 733 HB3 GLU 92 1HB GLU 92 -12.019 5.837 -0.263 734 HG2 GLU 92 2HG GLU 92 -11.646 7.165 -2.931 735 HG3 GLU 92 1HG GLU 92 -12.981 7.410 -1.802 736 H GLU 93 H GLU 93 -10.631 2.975 -1.505 737 HA GLU 93 HA GLU 93 -10.457 2.249 1.215 738 HB2 GLU 93 2HB GLU 93 -10.288 0.581 -1.294 739 HB3 GLU 93 1HB GLU 93 -10.319 -0.105 0.327 740 HG2 GLU 93 2HG GLU 93 -12.491 1.008 0.713 741 HG3 GLU 93 1HG GLU 93 -12.464 1.571 -0.955 742 H LEU 94 H LEU 94 -8.111 2.327 -1.373 743 HA LEU 94 HA LEU 94 -5.987 1.023 -0.083 744 HB2 LEU 94 2HB LEU 94 -5.994 1.524 -2.465 745 HB3 LEU 94 1HB LEU 94 -5.994 3.241 -2.129 746 HG LEU 94 HG LEU 94 -3.735 3.013 -1.137 747 HD11 LEU 94 1HD1 LEU 94 -3.919 0.188 -2.173 748 HD12 LEU 94 2HD1 LEU 94 -3.833 0.675 -0.479 749 HD13 LEU 94 3HD1 LEU 94 -2.463 0.965 -1.550 750 HD21 LEU 94 1HD2 LEU 94 -4.036 2.023 -3.967 751 HD22 LEU 94 2HD2 LEU 94 -2.576 2.726 -3.270 752 HD23 LEU 94 3HD2 LEU 94 -4.028 3.709 -3.449 753 H GLU 95 H GLU 95 -6.937 4.436 -0.201 754 HA GLU 95 HA GLU 95 -4.880 5.511 1.367 755 HB2 GLU 95 2HB GLU 95 -6.503 6.816 0.000 756 HB3 GLU 95 1HB GLU 95 -7.756 6.436 1.169 757 HG2 GLU 95 2HG GLU 95 -6.993 8.644 1.591 758 HG3 GLU 95 1HG GLU 95 -6.408 7.613 2.896 759 H GLN 96 H GLN 96 -8.020 4.151 2.231 760 HA GLN 96 HA GLN 96 -7.910 4.682 5.002 761 HB2 GLN 96 2HB GLN 96 -9.381 2.495 3.521 762 HB3 GLN 96 1HB GLN 96 -9.694 2.989 5.180 763 HG2 GLN 96 2HG GLN 96 -10.450 5.145 4.449 764 HG3 GLN 96 1HG GLN 96 -9.975 4.793 2.791 765 HE21 GLN 96 1HE2 GLN 96 -12.566 5.532 3.880 766 HE22 GLN 96 2HE2 GLN 96 -13.653 4.270 3.419 767 H ALA 97 H ALA 97 -6.815 1.983 3.028 768 HA ALA 97 HA ALA 97 -6.123 0.256 5.153 769 HB1 ALA 97 1HB ALA 97 -6.413 -0.522 2.843 770 HB2 ALA 97 2HB ALA 97 -4.839 -0.980 3.493 771 HB3 ALA 97 3HB ALA 97 -4.968 0.371 2.366 772 H LEU 98 H LEU 98 -4.341 2.726 3.373 773 HA LEU 98 HA LEU 98 -1.810 2.285 4.536 774 HB2 LEU 98 2HB LEU 98 -3.025 4.828 3.452 775 HB3 LEU 98 1HB LEU 98 -1.329 4.623 3.843 776 HG LEU 98 HG LEU 98 -2.821 3.087 1.717 777 HD11 LEU 98 1HD1 LEU 98 -0.826 5.332 1.478 778 HD12 LEU 98 2HD1 LEU 98 -2.550 5.432 1.125 779 HD13 LEU 98 3HD1 LEU 98 -1.506 4.408 0.140 780 HD21 LEU 98 1HD2 LEU 98 -0.586 2.322 1.051 781 HD22 LEU 98 2HD2 LEU 98 -1.008 1.790 2.676 782 HD23 LEU 98 3HD2 LEU 98 0.104 3.141 2.453 783 H GLN 99 H GLN 99 -4.625 4.047 5.585 784 HA GLN 99 HA GLN 99 -3.467 5.514 7.677 785 HB2 GLN 99 2HB GLN 99 -5.699 5.938 6.678 786 HB3 GLN 99 1HB GLN 99 -6.279 4.440 7.389 787 HG2 GLN 99 2HG GLN 99 -7.003 6.283 8.708 788 HG3 GLN 99 1HG GLN 99 -5.807 5.351 9.609 789 HE21 GLN 99 1HE2 GLN 99 -6.439 8.303 7.908 790 HE22 GLN 99 2HE2 GLN 99 -5.092 9.193 8.521 791 H LYS 100 H LYS 100 -4.954 2.338 7.452 792 HA LYS 100 HA LYS 100 -4.840 1.680 10.202 793 HB2 LYS 100 2HB LYS 100 -4.834 -0.194 7.838 794 HB3 LYS 100 1HB LYS 100 -5.305 -0.592 9.484 795 HG2 LYS 100 2HG LYS 100 -7.204 0.945 9.295 796 HG3 LYS 100 1HG LYS 100 -6.725 1.318 7.638 797 HD2 LYS 100 2HD LYS 100 -6.936 -1.136 7.134 798 HD3 LYS 100 1HD LYS 100 -7.655 -1.331 8.733 799 HE2 LYS 100 2HE LYS 100 -8.705 0.415 6.509 800 HE3 LYS 100 1HE LYS 100 -9.368 -1.140 7.005 801 HZ1 LYS 100 1HZ LYS 100 -10.658 0.616 7.952 802 HZ2 LYS 100 2HZ LYS 100 -9.293 1.351 8.618 803 HZ3 LYS 100 3HZ LYS 100 -9.816 -0.143 9.202 804 H ILE 101 H ILE 101 -2.671 1.086 7.469 805 HA ILE 101 HA ILE 101 -0.861 -0.615 8.762 806 HB ILE 101 HB ILE 101 -0.353 1.319 6.490 807 HG12 ILE 101 2HG1 ILE 101 -0.927 -1.654 6.494 808 HG13 ILE 101 1HG1 ILE 101 -2.057 -0.392 6.017 809 HG21 ILE 101 1HG2 ILE 101 1.347 -0.988 7.446 810 HG22 ILE 101 2HG2 ILE 101 1.746 0.724 7.583 811 HG23 ILE 101 3HG2 ILE 101 1.635 -0.030 5.993 812 HD11 ILE 101 1HD1 ILE 101 0.536 -1.059 4.644 813 HD12 ILE 101 2HD1 ILE 101 -0.584 0.215 4.165 814 HD13 ILE 101 3HD1 ILE 101 -1.083 -1.474 4.081 815 H ARG 102 H ARG 102 -0.836 2.925 8.427 816 HA ARG 102 HA ARG 102 1.617 3.343 9.720 817 HB2 ARG 102 2HB ARG 102 0.661 5.148 8.477 818 HB3 ARG 102 1HB ARG 102 -0.800 5.129 9.457 819 HG2 ARG 102 2HG ARG 102 0.379 5.981 11.357 820 HG3 ARG 102 1HG ARG 102 1.929 5.806 10.534 821 HD2 ARG 102 2HD ARG 102 1.108 8.134 10.584 822 HD3 ARG 102 1HD ARG 102 1.338 7.515 8.951 823 HE ARG 102 HE ARG 102 -1.244 7.037 9.286 824 HH11 ARG 102 1HH1 ARG 102 0.572 9.886 10.249 825 HH12 ARG 102 2HH1 ARG 102 -0.720 10.981 9.873 826 HH21 ARG 102 1HH2 ARG 102 -2.958 8.495 8.821 827 HH22 ARG 102 2HH2 ARG 102 -2.726 10.194 9.053 828 H GLU 103 H GLU 103 -1.678 3.263 11.027 829 HA GLU 103 HA GLU 103 -1.019 3.923 13.666 830 HB2 GLU 103 2HB GLU 103 -3.300 2.300 12.544 831 HB3 GLU 103 1HB GLU 103 -3.183 2.763 14.235 832 HG2 GLU 103 2HG GLU 103 -3.184 4.743 11.975 833 HG3 GLU 103 1HG GLU 103 -4.645 4.211 12.807 834 H LEU 104 H LEU 104 -1.194 0.785 12.051 835 HA LEU 104 HA LEU 104 -0.652 -0.693 14.430 836 HB2 LEU 104 2HB LEU 104 -0.462 -1.493 11.531 837 HB3 LEU 104 1HB LEU 104 -0.293 -2.599 12.879 838 HG LEU 104 HG LEU 104 -2.786 -1.022 12.232 839 HD11 LEU 104 1HD1 LEU 104 -2.153 -3.941 11.831 840 HD12 LEU 104 2HD1 LEU 104 -2.338 -2.732 10.561 841 HD13 LEU 104 3HD1 LEU 104 -3.719 -3.178 11.562 842 HD21 LEU 104 1HD2 LEU 104 -2.267 -3.178 14.280 843 HD22 LEU 104 2HD2 LEU 104 -3.841 -2.478 13.907 844 HD23 LEU 104 3HD2 LEU 104 -2.577 -1.474 14.614 845 H ALA 105 H ALA 105 1.364 0.467 11.752 846 HA ALA 105 HA ALA 105 3.645 -1.039 12.564 847 HB1 ALA 105 1HB ALA 105 3.264 -0.393 10.241 848 HB2 ALA 105 2HB ALA 105 4.838 0.147 10.829 849 HB3 ALA 105 3HB ALA 105 3.511 1.298 10.676 850 H GLU 106 H GLU 106 2.554 2.242 13.333 851 HA GLU 106 HA GLU 106 5.187 2.801 14.455 852 HB2 GLU 106 2HB GLU 106 4.484 5.068 14.794 853 HB3 GLU 106 1HB GLU 106 4.036 4.578 13.169 854 HG2 GLU 106 2HG GLU 106 1.823 4.694 13.596 855 HG3 GLU 106 1HG GLU 106 2.014 4.250 15.289 856 H LYS 107 H LYS 107 2.111 1.740 15.540 857 HA LYS 107 HA LYS 107 2.556 2.608 18.255 858 HB2 LYS 107 2HB LYS 107 0.342 1.282 16.822 859 HB3 LYS 107 1HB LYS 107 0.507 0.873 18.521 860 HG2 LYS 107 2HG LYS 107 -1.046 2.688 18.308 861 HG3 LYS 107 1HG LYS 107 0.425 3.291 19.070 862 HD2 LYS 107 2HD LYS 107 1.156 4.223 16.945 863 HD3 LYS 107 1HD LYS 107 -0.288 3.592 16.147 864 HE2 LYS 107 2HE LYS 107 -1.642 4.970 17.750 865 HE3 LYS 107 1HE LYS 107 -0.135 5.701 18.294 866 HZ1 LYS 107 1HZ LYS 107 0.238 6.418 15.950 867 HZ2 LYS 107 2HZ LYS 107 -1.120 7.110 16.671 868 HZ3 LYS 107 3HZ LYS 107 -1.313 5.855 15.564 869 H LYS 108 H LYS 108 4.241 0.500 16.703 870 HA LYS 108 HA LYS 108 4.102 -1.777 18.451 871 HB2 LYS 108 2HB LYS 108 5.031 -1.679 16.014 872 HB3 LYS 108 1HB LYS 108 6.487 -1.032 16.747 873 HG2 LYS 108 2HG LYS 108 5.275 -3.714 17.433 874 HG3 LYS 108 1HG LYS 108 6.587 -3.470 16.284 875 HD2 LYS 108 2HD LYS 108 7.926 -2.463 18.129 876 HD3 LYS 108 1HD LYS 108 6.630 -2.886 19.246 877 HE2 LYS 108 2HE LYS 108 8.261 -4.801 17.579 878 HE3 LYS 108 1HE LYS 108 8.407 -4.548 19.316 879 HZ1 LYS 108 1HZ LYS 108 7.132 -6.495 18.968 880 HZ2 LYS 108 2HZ LYS 108 6.129 -5.748 17.844 881 HZ3 LYS 108 3HZ LYS 108 6.040 -5.308 19.479 882 H ASN 109 H ASN 109 4.234 -0.874 20.494 883 HA ASN 109 HA ASN 109 6.800 0.381 21.186 884 HB2 ASN 109 2HB ASN 109 4.088 0.907 22.427 885 HB3 ASN 109 1HB ASN 109 5.604 1.628 22.944 886 HD21 ASN 109 1HD2 ASN 109 6.554 1.924 20.174 887 HD22 ASN 109 2HD2 ASN 109 5.670 3.255 19.516 Start of MODEL 16 1 H1 SER 1 1HT SER 1 11.616 5.483 18.483 2 H2 SER 1 2HT SER 1 13.030 4.617 18.151 3 H3 SER 1 3HT SER 1 12.574 4.899 19.755 4 HA SER 1 HA SER 1 12.124 2.661 19.148 5 HB2 SER 1 2HB SER 1 9.484 2.892 19.416 6 HB3 SER 1 1HB SER 1 10.583 3.256 20.745 7 HG SER 1 HG SER 1 9.500 5.168 18.914 8 H GLU 2 H GLU 2 10.211 1.364 18.054 9 HA GLU 2 HA GLU 2 10.821 1.463 15.283 10 HB2 GLU 2 2HB GLU 2 9.462 -0.509 15.055 11 HB3 GLU 2 1HB GLU 2 10.404 -0.652 16.528 12 HG2 GLU 2 2HG GLU 2 7.504 0.178 16.421 13 HG3 GLU 2 1HG GLU 2 8.071 -1.458 16.745 14 H PHE 3 H PHE 3 8.219 2.674 17.214 15 HA PHE 3 HA PHE 3 6.137 2.937 15.437 16 HB2 PHE 3 2HB PHE 3 6.002 3.567 17.810 17 HB3 PHE 3 1HB PHE 3 7.035 4.957 17.506 18 HD1 PHE 3 1HD PHE 3 3.708 3.500 16.902 19 HD2 PHE 3 2HD PHE 3 6.151 6.973 16.600 20 HE1 PHE 3 1HE PHE 3 1.713 4.860 16.429 21 HE2 PHE 3 2HE PHE 3 4.159 8.337 16.123 22 HZ PHE 3 HZ PHE 3 1.938 7.279 16.038 23 H GLU 4 H GLU 4 8.799 5.240 15.915 24 HA GLU 4 HA GLU 4 8.015 7.056 13.920 25 HB2 GLU 4 2HB GLU 4 10.840 6.519 14.851 26 HB3 GLU 4 1HB GLU 4 10.253 7.977 14.068 27 HG2 GLU 4 2HG GLU 4 10.309 8.650 16.246 28 HG3 GLU 4 1HG GLU 4 8.648 8.076 16.130 29 H LYS 5 H LYS 5 10.084 4.209 13.799 30 HA LYS 5 HA LYS 5 10.982 4.630 11.138 31 HB2 LYS 5 2HB LYS 5 10.852 2.052 12.710 32 HB3 LYS 5 1HB LYS 5 11.781 2.315 11.241 33 HG2 LYS 5 2HG LYS 5 12.218 3.655 13.905 34 HG3 LYS 5 1HG LYS 5 13.236 2.420 13.161 35 HD2 LYS 5 2HD LYS 5 13.755 3.949 11.322 36 HD3 LYS 5 1HD LYS 5 12.718 5.180 12.044 37 HE2 LYS 5 2HE LYS 5 14.163 5.217 14.027 38 HE3 LYS 5 1HE LYS 5 15.204 4.006 13.284 39 HZ1 LYS 5 1HZ LYS 5 16.118 6.199 12.988 40 HZ2 LYS 5 2HZ LYS 5 14.701 6.746 12.256 41 HZ3 LYS 5 3HZ LYS 5 15.651 5.583 11.486 42 H LEU 6 H LEU 6 8.284 2.863 12.544 43 HA LEU 6 HA LEU 6 7.366 1.691 10.138 44 HB2 LEU 6 2HB LEU 6 5.828 2.479 12.618 45 HB3 LEU 6 1HB LEU 6 5.192 1.481 11.327 46 HG LEU 6 HG LEU 6 7.508 0.750 13.123 47 HD11 LEU 6 1HD1 LEU 6 5.392 0.751 14.315 48 HD12 LEU 6 2HD1 LEU 6 5.968 -0.897 14.066 49 HD13 LEU 6 3HD1 LEU 6 4.668 -0.257 13.061 50 HD21 LEU 6 1HD2 LEU 6 7.302 -1.471 12.093 51 HD22 LEU 6 2HD2 LEU 6 7.739 -0.238 10.911 52 HD23 LEU 6 3HD2 LEU 6 6.082 -0.838 10.987 53 H ARG 7 H ARG 7 6.666 4.745 11.768 54 HA ARG 7 HA ARG 7 4.715 5.670 9.959 55 HB2 ARG 7 2HB ARG 7 5.126 6.661 12.198 56 HB3 ARG 7 1HB ARG 7 6.651 7.308 11.610 57 HG2 ARG 7 2HG ARG 7 5.456 8.673 9.982 58 HG3 ARG 7 1HG ARG 7 3.922 8.013 10.552 59 HD2 ARG 7 2HD ARG 7 4.404 8.934 12.793 60 HD3 ARG 7 1HD ARG 7 5.879 9.655 12.150 61 HE ARG 7 HE ARG 7 3.949 10.593 10.503 62 HH11 ARG 7 1HH1 ARG 7 4.392 10.634 13.979 63 HH12 ARG 7 2HH1 ARG 7 3.502 12.095 14.213 64 HH21 ARG 7 1HH2 ARG 7 2.757 12.532 10.800 65 HH22 ARG 7 2HH2 ARG 7 2.555 13.185 12.384 66 H GLN 8 H GLN 8 8.227 5.930 10.022 67 HA GLN 8 HA GLN 8 8.578 7.640 7.823 68 HB2 GLN 8 2HB GLN 8 10.386 7.082 9.374 69 HB3 GLN 8 1HB GLN 8 10.347 5.408 8.844 70 HG2 GLN 8 2HG GLN 8 10.995 6.176 6.571 71 HG3 GLN 8 1HG GLN 8 11.177 7.804 7.224 72 HE21 GLN 8 1HE2 GLN 8 13.358 7.871 6.757 73 HE22 GLN 8 2HE2 GLN 8 14.526 6.962 7.650 74 H THR 9 H THR 9 8.347 4.120 8.046 75 HA THR 9 HA THR 9 8.739 3.551 5.314 76 HB THR 9 HB THR 9 7.095 1.947 7.294 77 HG1 THR 9 1HG THR 9 9.211 2.380 8.109 78 HG21 THR 9 1HG2 THR 9 8.647 1.111 4.832 79 HG22 THR 9 2HG2 THR 9 6.891 1.222 4.947 80 HG23 THR 9 3HG2 THR 9 7.764 0.032 5.913 81 H GLY 10 H GLY 10 5.819 4.111 7.252 82 HA2 GLY 10 2HA GLY 10 3.913 3.744 5.227 83 HA3 GLY 10 1HA GLY 10 3.699 4.756 6.652 84 H ASP 11 H ASP 11 5.766 6.572 6.200 85 HA ASP 11 HA ASP 11 4.557 8.480 4.545 86 HB2 ASP 11 2HB ASP 11 6.007 9.187 6.318 87 HB3 ASP 11 1HB ASP 11 7.357 8.274 5.658 88 H GLU 12 H GLU 12 7.141 6.158 3.905 89 HA GLU 12 HA GLU 12 7.858 7.100 1.336 90 HB2 GLU 12 2HB GLU 12 7.944 4.242 2.343 91 HB3 GLU 12 1HB GLU 12 8.844 4.890 0.981 92 HG2 GLU 12 2HG GLU 12 10.032 6.389 2.540 93 HG3 GLU 12 1HG GLU 12 9.195 5.607 3.880 94 H LEU 13 H LEU 13 5.508 4.734 2.465 95 HA LEU 13 HA LEU 13 4.574 3.905 -0.057 96 HB2 LEU 13 2HB LEU 13 3.138 3.942 2.596 97 HB3 LEU 13 1HB LEU 13 2.597 3.080 1.172 98 HG LEU 13 HG LEU 13 5.120 2.510 2.728 99 HD11 LEU 13 1HD1 LEU 13 3.095 1.851 3.913 100 HD12 LEU 13 2HD1 LEU 13 3.992 0.440 3.351 101 HD13 LEU 13 3HD1 LEU 13 2.545 0.964 2.491 102 HD21 LEU 13 1HD2 LEU 13 3.924 1.115 0.337 103 HD22 LEU 13 2HD2 LEU 13 5.289 0.530 1.286 104 HD23 LEU 13 3HD2 LEU 13 5.432 2.030 0.371 105 H VAL 14 H VAL 14 3.383 6.389 2.193 106 HA VAL 14 HA VAL 14 1.087 7.110 0.771 107 HB VAL 14 HB VAL 14 2.835 8.852 2.533 108 HG11 VAL 14 1HG1 VAL 14 0.007 9.325 1.587 109 HG12 VAL 14 2HG1 VAL 14 1.434 10.232 1.085 110 HG13 VAL 14 3HG1 VAL 14 0.882 10.312 2.759 111 HG21 VAL 14 1HG2 VAL 14 1.933 6.906 3.688 112 HG22 VAL 14 2HG2 VAL 14 0.310 7.309 3.129 113 HG23 VAL 14 3HG2 VAL 14 1.146 8.379 4.253 114 H GLN 15 H GLN 15 4.379 8.414 0.548 115 HA GLN 15 HA GLN 15 3.799 10.365 -1.391 116 HB2 GLN 15 2HB GLN 15 6.349 8.925 -0.704 117 HB3 GLN 15 1HB GLN 15 6.269 10.201 -1.909 118 HG2 GLN 15 2HG GLN 15 5.513 11.773 -0.231 119 HG3 GLN 15 1HG GLN 15 5.510 10.494 0.985 120 HE21 GLN 15 1HE2 GLN 15 7.436 9.740 1.778 121 HE22 GLN 15 2HE2 GLN 15 8.932 10.573 1.544 122 H ALA 16 H ALA 16 4.851 6.998 -1.696 123 HA ALA 16 HA ALA 16 5.187 7.043 -4.497 124 HB1 ALA 16 1HB ALA 16 6.177 5.327 -3.056 125 HB2 ALA 16 2HB ALA 16 5.221 4.617 -4.358 126 HB3 ALA 16 3HB ALA 16 4.567 4.687 -2.721 127 H PHE 17 H PHE 17 2.431 6.068 -2.468 128 HA PHE 17 HA PHE 17 0.822 5.285 -4.667 129 HB2 PHE 17 2HB PHE 17 0.189 5.874 -1.795 130 HB3 PHE 17 1HB PHE 17 -1.079 5.498 -2.959 131 HD1 PHE 17 1HD PHE 17 1.389 4.166 -0.769 132 HD2 PHE 17 2HD PHE 17 -0.882 3.329 -4.257 133 HE1 PHE 17 1HE PHE 17 1.824 1.769 -0.473 134 HE2 PHE 17 2HE PHE 17 -0.452 0.925 -3.962 135 HZ PHE 17 HZ PHE 17 0.901 0.151 -2.069 136 H GLN 18 H GLN 18 1.023 8.319 -2.835 137 HA GLN 18 HA GLN 18 -1.087 9.509 -4.282 138 HB2 GLN 18 2HB GLN 18 1.149 10.757 -2.687 139 HB3 GLN 18 1HB GLN 18 -0.180 11.666 -3.395 140 HG2 GLN 18 2HG GLN 18 -1.748 10.190 -2.098 141 HG3 GLN 18 1HG GLN 18 -0.335 9.556 -1.261 142 HE21 GLN 18 1HE2 GLN 18 -2.638 10.992 -0.240 143 HE22 GLN 18 2HE2 GLN 18 -2.017 12.396 0.567 144 H ARG 19 H ARG 19 2.394 9.323 -4.801 145 HA ARG 19 HA ARG 19 2.485 11.045 -7.043 146 HB2 ARG 19 2HB ARG 19 4.529 10.260 -5.909 147 HB3 ARG 19 1HB ARG 19 4.196 8.618 -6.445 148 HG2 ARG 19 2HG ARG 19 4.321 9.470 -8.802 149 HG3 ARG 19 1HG ARG 19 4.916 10.991 -8.140 150 HD2 ARG 19 2HD ARG 19 6.794 9.807 -7.119 151 HD3 ARG 19 1HD ARG 19 6.189 8.286 -7.774 152 HE ARG 19 HE ARG 19 6.705 10.400 -9.691 153 HH11 ARG 19 1HH1 ARG 19 7.934 7.517 -8.101 154 HH12 ARG 19 2HH1 ARG 19 9.080 7.169 -9.352 155 HH21 ARG 19 1HH2 ARG 19 8.237 9.936 -11.327 156 HH22 ARG 19 2HH2 ARG 19 9.251 8.542 -11.190 157 H LEU 20 H LEU 20 1.747 7.636 -6.633 158 HA LEU 20 HA LEU 20 1.562 6.862 -9.320 159 HB2 LEU 20 2HB LEU 20 1.539 5.292 -7.424 160 HB3 LEU 20 1HB LEU 20 -0.018 5.913 -6.922 161 HG LEU 20 HG LEU 20 -0.929 5.087 -9.135 162 HD11 LEU 20 1HD1 LEU 20 0.331 3.348 -10.275 163 HD12 LEU 20 2HD1 LEU 20 1.695 3.613 -9.190 164 HD13 LEU 20 3HD1 LEU 20 1.199 4.883 -10.309 165 HD21 LEU 20 1HD2 LEU 20 -1.113 2.777 -8.346 166 HD22 LEU 20 2HD2 LEU 20 -1.335 3.932 -7.031 167 HD23 LEU 20 3HD2 LEU 20 0.193 3.067 -7.197 168 H ARG 21 H ARG 21 -0.747 8.315 -7.105 169 HA ARG 21 HA ARG 21 -3.012 8.381 -8.754 170 HB2 ARG 21 2HB ARG 21 -3.063 8.869 -6.365 171 HB3 ARG 21 1HB ARG 21 -2.114 10.322 -6.631 172 HG2 ARG 21 2HG ARG 21 -3.971 11.160 -8.078 173 HG3 ARG 21 1HG ARG 21 -4.926 9.779 -7.525 174 HD2 ARG 21 2HD ARG 21 -5.442 11.704 -6.179 175 HD3 ARG 21 1HD ARG 21 -4.580 10.506 -5.214 176 HE ARG 21 HE ARG 21 -2.934 12.587 -6.416 177 HH11 ARG 21 1HH1 ARG 21 -4.622 11.464 -3.544 178 HH12 ARG 21 2HH1 ARG 21 -3.784 12.533 -2.477 179 HH21 ARG 21 1HH2 ARG 21 -1.833 13.989 -5.019 180 HH22 ARG 21 2HH2 ARG 21 -2.174 13.982 -3.322 181 H GLU 22 H GLU 22 -0.376 10.700 -8.292 182 HA GLU 22 HA GLU 22 -1.307 12.689 -10.036 183 HB2 GLU 22 2HB GLU 22 1.590 12.043 -9.469 184 HB3 GLU 22 1HB GLU 22 0.932 13.588 -9.980 185 HG2 GLU 22 2HG GLU 22 0.516 12.231 -7.328 186 HG3 GLU 22 1HG GLU 22 1.474 13.674 -7.646 187 H ILE 23 H ILE 23 0.799 9.901 -10.587 188 HA ILE 23 HA ILE 23 1.322 10.411 -13.326 189 HB ILE 23 HB ILE 23 1.260 7.757 -11.870 190 HG12 ILE 23 2HG1 ILE 23 3.593 9.580 -12.481 191 HG13 ILE 23 1HG1 ILE 23 2.831 9.409 -10.903 192 HG21 ILE 23 1HG2 ILE 23 2.645 6.913 -13.666 193 HG22 ILE 23 2HG2 ILE 23 2.607 8.484 -14.466 194 HG23 ILE 23 3HG2 ILE 23 1.127 7.535 -14.318 195 HD11 ILE 23 1HD1 ILE 23 4.870 8.118 -11.012 196 HD12 ILE 23 2HD1 ILE 23 4.268 7.254 -12.429 197 HD13 ILE 23 3HD1 ILE 23 3.473 7.048 -10.871 198 H PHE 24 H PHE 24 -1.172 8.611 -11.633 199 HA PHE 24 HA PHE 24 -2.457 7.459 -13.845 200 HB2 PHE 24 2HB PHE 24 -2.798 6.874 -11.416 201 HB3 PHE 24 1HB PHE 24 -3.740 8.350 -11.256 202 HD1 PHE 24 1HD PHE 24 -3.590 5.058 -12.873 203 HD2 PHE 24 2HD PHE 24 -5.990 8.445 -11.972 204 HE1 PHE 24 1HE PHE 24 -5.580 3.826 -13.589 205 HE2 PHE 24 2HE PHE 24 -7.996 7.218 -12.686 206 HZ PHE 24 HZ PHE 24 -7.796 4.907 -13.497 207 H ASP 25 H ASP 25 -2.997 10.492 -12.125 208 HA ASP 25 HA ASP 25 -5.136 11.405 -13.741 209 HB2 ASP 25 2HB ASP 25 -4.828 12.327 -11.543 210 HB3 ASP 25 1HB ASP 25 -3.197 12.853 -11.934 211 H LYS 26 H LYS 26 -1.662 11.576 -14.031 212 HA LYS 26 HA LYS 26 -1.651 13.541 -16.101 213 HB2 LYS 26 2HB LYS 26 0.239 13.061 -14.488 214 HB3 LYS 26 1HB LYS 26 0.530 11.578 -15.382 215 HG2 LYS 26 2HG LYS 26 1.111 12.787 -17.341 216 HG3 LYS 26 1HG LYS 26 0.594 14.310 -16.615 217 HD2 LYS 26 2HD LYS 26 3.005 14.188 -16.536 218 HD3 LYS 26 1HD LYS 26 2.371 14.042 -14.899 219 HE2 LYS 26 2HE LYS 26 2.634 11.599 -15.033 220 HE3 LYS 26 1HE LYS 26 3.292 11.768 -16.659 221 HZ1 LYS 26 1HZ LYS 26 5.121 13.061 -15.739 222 HZ2 LYS 26 2HZ LYS 26 5.049 11.535 -15.024 223 HZ3 LYS 26 3HZ LYS 26 4.491 12.888 -14.179 224 H GLY 27 H GLY 27 -2.315 10.222 -15.940 225 HA2 GLY 27 2HA GLY 27 -3.140 8.843 -17.589 226 HA3 GLY 27 1HA GLY 27 -2.879 10.134 -18.746 227 H ASP 28 H ASP 28 -0.243 8.968 -16.772 228 HA ASP 28 HA ASP 28 0.946 7.892 -19.226 229 HB2 ASP 28 2HB ASP 28 2.222 9.619 -17.898 230 HB3 ASP 28 1HB ASP 28 2.391 8.412 -16.626 231 H ASP 29 H ASP 29 0.088 5.916 -19.395 232 HA ASP 29 HA ASP 29 -0.366 4.103 -17.289 233 HB2 ASP 29 2HB ASP 29 -1.521 3.962 -19.438 234 HB3 ASP 29 1HB ASP 29 -0.006 3.562 -20.236 235 H ASP 30 H ASP 30 2.410 4.635 -19.336 236 HA ASP 30 HA ASP 30 3.773 2.232 -18.894 237 HB2 ASP 30 2HB ASP 30 4.376 3.852 -20.647 238 HB3 ASP 30 1HB ASP 30 4.947 4.966 -19.409 239 H SER 31 H SER 31 4.051 5.349 -17.225 240 HA SER 31 HA SER 31 5.937 4.460 -15.321 241 HB2 SER 31 2HB SER 31 4.011 6.780 -15.114 242 HB3 SER 31 1HB SER 31 5.473 6.549 -14.153 243 HG SER 31 HG SER 31 5.308 6.914 -16.967 244 H LEU 32 H LEU 32 2.424 4.344 -15.427 245 HA LEU 32 HA LEU 32 1.912 4.005 -12.695 246 HB2 LEU 32 2HB LEU 32 0.455 3.046 -15.147 247 HB3 LEU 32 1HB LEU 32 -0.141 2.732 -13.535 248 HG LEU 32 HG LEU 32 0.284 5.474 -14.719 249 HD11 LEU 32 1HD1 LEU 32 -1.554 4.255 -15.791 250 HD12 LEU 32 2HD1 LEU 32 -2.148 5.585 -14.801 251 HD13 LEU 32 3HD1 LEU 32 -2.255 3.929 -14.208 252 HD21 LEU 32 1HD2 LEU 32 -0.932 4.564 -12.115 253 HD22 LEU 32 2HD2 LEU 32 -0.992 6.212 -12.741 254 HD23 LEU 32 3HD2 LEU 32 0.557 5.487 -12.317 255 H GLU 33 H GLU 33 2.484 1.574 -15.238 256 HA GLU 33 HA GLU 33 2.262 -0.668 -13.551 257 HB2 GLU 33 2HB GLU 33 3.533 -0.190 -16.211 258 HB3 GLU 33 1HB GLU 33 3.793 -1.719 -15.387 259 HG2 GLU 33 2HG GLU 33 1.091 -0.575 -16.048 260 HG3 GLU 33 1HG GLU 33 1.949 -1.761 -17.032 261 H GLN 34 H GLN 34 4.999 1.352 -14.437 262 HA GLN 34 HA GLN 34 7.009 -0.203 -13.255 263 HB2 GLN 34 2HB GLN 34 7.508 1.616 -14.811 264 HB3 GLN 34 1HB GLN 34 6.897 2.792 -13.657 265 HG2 GLN 34 2HG GLN 34 9.329 2.733 -13.669 266 HG3 GLN 34 1HG GLN 34 8.680 2.237 -12.108 267 HE21 GLN 34 1HE2 GLN 34 8.750 0.223 -14.977 268 HE22 GLN 34 2HE2 GLN 34 9.887 -0.925 -14.371 269 H VAL 35 H VAL 35 5.081 2.484 -11.950 270 HA VAL 35 HA VAL 35 6.332 2.443 -9.411 271 HB VAL 35 HB VAL 35 3.621 3.542 -10.198 272 HG11 VAL 35 1HG1 VAL 35 3.742 4.849 -8.122 273 HG12 VAL 35 2HG1 VAL 35 5.231 4.013 -7.682 274 HG13 VAL 35 3HG1 VAL 35 3.715 3.117 -7.787 275 HG21 VAL 35 1HG2 VAL 35 4.802 5.705 -10.151 276 HG22 VAL 35 2HG2 VAL 35 5.452 4.607 -11.368 277 HG23 VAL 35 3HG2 VAL 35 6.315 4.852 -9.850 278 H LEU 36 H LEU 36 3.512 0.775 -10.726 279 HA LEU 36 HA LEU 36 2.567 -0.299 -8.308 280 HB2 LEU 36 2HB LEU 36 2.435 -1.410 -11.110 281 HB3 LEU 36 1HB LEU 36 1.590 -2.112 -9.746 282 HG LEU 36 HG LEU 36 1.135 0.657 -10.858 283 HD11 LEU 36 1HD1 LEU 36 -1.020 -0.221 -11.571 284 HD12 LEU 36 2HD1 LEU 36 -0.566 -1.823 -10.989 285 HD13 LEU 36 3HD1 LEU 36 0.311 -1.091 -12.332 286 HD21 LEU 36 1HD2 LEU 36 -0.271 -0.829 -8.640 287 HD22 LEU 36 2HD2 LEU 36 -0.777 0.715 -9.326 288 HD23 LEU 36 3HD2 LEU 36 0.751 0.598 -8.460 289 H GLU 37 H GLU 37 5.073 -1.387 -10.530 290 HA GLU 37 HA GLU 37 5.612 -3.818 -9.183 291 HB2 GLU 37 2HB GLU 37 7.359 -2.145 -10.992 292 HB3 GLU 37 1HB GLU 37 7.784 -3.749 -10.414 293 HG2 GLU 37 2HG GLU 37 5.622 -4.539 -11.493 294 HG3 GLU 37 1HG GLU 37 5.585 -2.968 -12.295 295 H GLU 38 H GLU 38 6.845 -0.536 -8.870 296 HA GLU 38 HA GLU 38 8.860 -1.058 -6.967 297 HB2 GLU 38 2HB GLU 38 7.206 1.414 -7.497 298 HB3 GLU 38 1HB GLU 38 8.524 1.373 -6.337 299 HG2 GLU 38 2HG GLU 38 8.782 0.808 -9.281 300 HG3 GLU 38 1HG GLU 38 9.189 2.330 -8.489 301 H ILE 39 H ILE 39 5.418 -0.373 -6.683 302 HA ILE 39 HA ILE 39 5.243 -0.167 -3.895 303 HB ILE 39 HB ILE 39 3.180 -1.257 -5.832 304 HG12 ILE 39 2HG1 ILE 39 3.776 1.044 -6.353 305 HG13 ILE 39 1HG1 ILE 39 2.165 0.997 -5.650 306 HG21 ILE 39 1HG2 ILE 39 2.832 -0.365 -2.960 307 HG22 ILE 39 2HG2 ILE 39 2.661 -2.002 -3.584 308 HG23 ILE 39 3HG2 ILE 39 1.520 -0.753 -4.072 309 HD11 ILE 39 1HD1 ILE 39 3.392 2.873 -4.782 310 HD12 ILE 39 2HD1 ILE 39 4.707 1.820 -4.267 311 HD13 ILE 39 3HD1 ILE 39 3.127 1.700 -3.490 312 H GLU 40 H GLU 40 5.298 -2.966 -6.027 313 HA GLU 40 HA GLU 40 4.564 -4.938 -4.190 314 HB2 GLU 40 2HB GLU 40 6.498 -5.114 -6.503 315 HB3 GLU 40 1HB GLU 40 5.832 -6.499 -5.653 316 HG2 GLU 40 2HG GLU 40 3.581 -5.837 -6.365 317 HG3 GLU 40 1HG GLU 40 4.269 -4.465 -7.233 318 H GLU 41 H GLU 41 7.763 -3.603 -4.941 319 HA GLU 41 HA GLU 41 9.228 -5.198 -3.117 320 HB2 GLU 41 2HB GLU 41 10.278 -3.949 -4.966 321 HB3 GLU 41 1HB GLU 41 9.837 -2.434 -4.196 322 HG2 GLU 41 2HG GLU 41 12.129 -2.791 -3.752 323 HG3 GLU 41 1HG GLU 41 11.267 -3.116 -2.251 324 H LEU 42 H LEU 42 7.719 -2.011 -2.876 325 HA LEU 42 HA LEU 42 8.582 -1.388 -0.264 326 HB2 LEU 42 2HB LEU 42 6.118 -0.447 -1.725 327 HB3 LEU 42 1HB LEU 42 6.773 0.279 -0.272 328 HG LEU 42 HG LEU 42 8.123 0.191 -2.966 329 HD11 LEU 42 1HD1 LEU 42 7.768 2.604 -2.971 330 HD12 LEU 42 2HD1 LEU 42 6.903 2.484 -1.439 331 HD13 LEU 42 3HD1 LEU 42 6.239 1.731 -2.888 332 HD21 LEU 42 1HD2 LEU 42 9.005 1.458 -0.372 333 HD22 LEU 42 2HD2 LEU 42 9.792 1.676 -1.934 334 HD23 LEU 42 3HD2 LEU 42 9.765 0.084 -1.176 335 H ILE 43 H ILE 43 5.695 -3.014 -1.471 336 HA ILE 43 HA ILE 43 4.307 -3.299 0.952 337 HB ILE 43 HB ILE 43 4.377 -5.043 -1.521 338 HG12 ILE 43 2HG1 ILE 43 2.244 -3.185 -0.450 339 HG13 ILE 43 1HG1 ILE 43 3.388 -2.780 -1.724 340 HG21 ILE 43 1HG2 ILE 43 2.388 -6.201 -0.674 341 HG22 ILE 43 2HG2 ILE 43 2.546 -5.342 0.858 342 HG23 ILE 43 3HG2 ILE 43 3.797 -6.478 0.351 343 HD11 ILE 43 1HD1 ILE 43 2.440 -4.536 -3.132 344 HD12 ILE 43 2HD1 ILE 43 1.211 -3.373 -2.630 345 HD13 ILE 43 3HD1 ILE 43 1.305 -4.952 -1.848 346 H GLN 44 H GLN 44 6.688 -5.381 -0.617 347 HA GLN 44 HA GLN 44 6.720 -7.345 1.400 348 HB2 GLN 44 2HB GLN 44 8.815 -6.622 -0.652 349 HB3 GLN 44 1HB GLN 44 8.847 -8.072 0.345 350 HG2 GLN 44 2HG GLN 44 6.764 -8.829 -0.658 351 HG3 GLN 44 1HG GLN 44 6.684 -7.360 -1.625 352 HE21 GLN 44 1HE2 GLN 44 6.696 -8.483 -3.556 353 HE22 GLN 44 2HE2 GLN 44 8.110 -9.276 -4.154 354 H LYS 45 H LYS 45 8.526 -4.350 0.935 355 HA LYS 45 HA LYS 45 10.399 -4.720 3.019 356 HB2 LYS 45 2HB LYS 45 10.674 -2.943 1.351 357 HB3 LYS 45 1HB LYS 45 9.213 -2.153 1.928 358 HG2 LYS 45 2HG LYS 45 10.339 -1.891 4.152 359 HG3 LYS 45 1HG LYS 45 11.820 -2.474 3.396 360 HD2 LYS 45 2HD LYS 45 11.715 -0.604 1.793 361 HD3 LYS 45 1HD LYS 45 10.254 -0.019 2.593 362 HE2 LYS 45 2HE LYS 45 11.497 0.273 4.673 363 HE3 LYS 45 1HE LYS 45 12.956 -0.339 3.899 364 HZ1 LYS 45 1HZ LYS 45 11.498 2.166 3.219 365 HZ2 LYS 45 2HZ LYS 45 12.827 1.562 2.358 366 HZ3 LYS 45 3HZ LYS 45 13.012 2.037 3.965 367 H HIS 46 H HIS 46 7.212 -3.184 2.924 368 HA HIS 46 HA HIS 46 7.115 -2.437 5.637 369 HB2 HIS 46 2HB HIS 46 5.593 -1.538 3.887 370 HB3 HIS 46 1HB HIS 46 4.804 -3.107 3.793 371 HD1 HIS 46 1HD HIS 46 3.012 -3.614 5.567 372 HD2 HIS 46 2HD HIS 46 5.110 -0.101 6.283 373 HE1 HIS 46 1HE HIS 46 1.794 -2.431 7.433 374 H ARG 47 H ARG 47 6.019 -5.327 3.914 375 HA ARG 47 HA ARG 47 4.847 -6.642 6.089 376 HB2 ARG 47 2HB ARG 47 4.503 -7.361 3.766 377 HB3 ARG 47 1HB ARG 47 6.197 -7.793 3.627 378 HG2 ARG 47 2HG ARG 47 4.490 -9.116 5.698 379 HG3 ARG 47 1HG ARG 47 4.402 -9.637 4.016 380 HD2 ARG 47 2HD ARG 47 6.734 -10.205 4.001 381 HD3 ARG 47 1HD ARG 47 6.979 -9.461 5.579 382 HE ARG 47 HE ARG 47 5.064 -11.613 5.560 383 HH11 ARG 47 1HH1 ARG 47 8.473 -10.813 5.850 384 HH12 ARG 47 2HH1 ARG 47 8.856 -12.197 6.802 385 HH21 ARG 47 1HH2 ARG 47 5.569 -13.453 6.832 386 HH22 ARG 47 2HH2 ARG 47 7.186 -13.708 7.382 387 H GLN 48 H GLN 48 8.182 -6.639 4.877 388 HA GLN 48 HA GLN 48 9.103 -8.586 6.688 389 HB2 GLN 48 2HB GLN 48 10.210 -7.927 4.546 390 HB3 GLN 48 1HB GLN 48 10.726 -6.442 5.334 391 HG2 GLN 48 2HG GLN 48 12.487 -8.088 5.317 392 HG3 GLN 48 1HG GLN 48 11.979 -7.727 6.967 393 HE21 GLN 48 1HE2 GLN 48 12.716 -9.668 7.791 394 HE22 GLN 48 2HE2 GLN 48 11.950 -11.179 7.452 395 H LEU 49 H LEU 49 9.144 -5.029 6.766 396 HA LEU 49 HA LEU 49 10.587 -4.844 9.194 397 HB2 LEU 49 2HB LEU 49 8.699 -2.917 7.855 398 HB3 LEU 49 1HB LEU 49 9.602 -2.527 9.304 399 HG LEU 49 HG LEU 49 10.828 -3.247 6.640 400 HD11 LEU 49 1HD1 LEU 49 9.705 -1.097 6.555 401 HD12 LEU 49 2HD1 LEU 49 11.456 -0.888 6.539 402 HD13 LEU 49 3HD1 LEU 49 10.545 -0.583 8.018 403 HD21 LEU 49 1HD2 LEU 49 12.060 -2.294 9.225 404 HD22 LEU 49 2HD2 LEU 49 12.912 -2.447 7.690 405 HD23 LEU 49 3HD2 LEU 49 12.266 -3.882 8.484 406 H PHE 50 H PHE 50 7.163 -5.060 8.467 407 HA PHE 50 HA PHE 50 6.278 -4.612 11.131 408 HB2 PHE 50 2HB PHE 50 4.921 -4.322 9.016 409 HB3 PHE 50 1HB PHE 50 4.808 -6.074 8.935 410 HD1 PHE 50 1HD PHE 50 4.410 -3.536 11.646 411 HD2 PHE 50 2HD PHE 50 2.740 -6.821 9.525 412 HE1 PHE 50 1HE PHE 50 2.419 -3.447 13.086 413 HE2 PHE 50 2HE PHE 50 0.753 -6.738 10.955 414 HZ PHE 50 HZ PHE 50 0.585 -5.053 12.744 415 H ASP 51 H ASP 51 7.158 -7.450 9.262 416 HA ASP 51 HA ASP 51 6.335 -9.373 11.229 417 HB2 ASP 51 2HB ASP 51 6.476 -10.053 8.914 418 HB3 ASP 51 1HB ASP 51 8.165 -9.569 8.829 419 H ASN 52 H ASN 52 9.371 -7.826 10.322 420 HA ASN 52 HA ASN 52 11.075 -9.240 12.072 421 HB2 ASN 52 2HB ASN 52 11.768 -7.782 10.121 422 HB3 ASN 52 1HB ASN 52 11.421 -6.383 11.126 423 HD21 ASN 52 1HD2 ASN 52 12.866 -9.379 12.256 424 HD22 ASN 52 2HD2 ASN 52 14.408 -8.701 12.631 425 H ARG 53 H ARG 53 8.811 -6.747 12.533 426 HA ARG 53 HA ARG 53 9.698 -5.620 14.962 427 HB2 ARG 53 2HB ARG 53 8.049 -4.480 13.676 428 HB3 ARG 53 1HB ARG 53 6.999 -5.885 13.654 429 HG2 ARG 53 2HG ARG 53 6.971 -5.542 16.241 430 HG3 ARG 53 1HG ARG 53 7.466 -3.899 15.819 431 HD2 ARG 53 2HD ARG 53 5.029 -4.075 15.993 432 HD3 ARG 53 1HD ARG 53 5.533 -3.679 14.354 433 HE ARG 53 HE ARG 53 5.144 -6.019 13.762 434 HH11 ARG 53 1HH1 ARG 53 3.718 -4.898 16.773 435 HH12 ARG 53 2HH1 ARG 53 2.451 -6.073 16.763 436 HH21 ARG 53 1HH2 ARG 53 3.464 -7.595 13.755 437 HH22 ARG 53 2HH2 ARG 53 2.292 -7.622 15.030 438 H GLN 54 H GLN 54 7.728 -8.432 14.169 439 HA GLN 54 HA GLN 54 8.175 -9.661 16.698 440 HB2 GLN 54 2HB GLN 54 6.358 -7.977 17.223 441 HB3 GLN 54 1HB GLN 54 5.322 -8.844 16.101 442 HG2 GLN 54 2HG GLN 54 4.853 -9.463 18.402 443 HG3 GLN 54 1HG GLN 54 5.467 -10.839 17.487 444 HE21 GLN 54 1HE2 GLN 54 6.060 -11.851 19.428 445 HE22 GLN 54 2HE2 GLN 54 7.464 -11.361 20.305 446 H GLU 55 H GLU 55 8.853 -11.405 15.528 447 HA GLU 55 HA GLU 55 7.517 -12.379 13.225 448 HB2 GLU 55 2HB GLU 55 9.938 -12.635 13.649 449 HB3 GLU 55 1HB GLU 55 9.573 -13.760 14.947 450 HG2 GLU 55 2HG GLU 55 8.699 -15.354 13.437 451 HG3 GLU 55 1HG GLU 55 8.725 -14.199 12.104 452 H ALA 56 H ALA 56 7.168 -12.994 16.598 453 HA ALA 56 HA ALA 56 5.789 -15.479 16.382 454 HB1 ALA 56 1HB ALA 56 5.097 -15.072 18.693 455 HB2 ALA 56 2HB ALA 56 5.669 -13.408 18.577 456 HB3 ALA 56 3HB ALA 56 6.817 -14.744 18.482 457 H ALA 57 H ALA 57 4.994 -12.340 15.544 458 HA ALA 57 HA ALA 57 2.107 -12.903 15.590 459 HB1 ALA 57 1HB ALA 57 2.721 -10.968 16.957 460 HB2 ALA 57 2HB ALA 57 1.785 -10.469 15.547 461 HB3 ALA 57 3HB ALA 57 3.534 -10.241 15.571 462 H ASP 58 H ASP 58 3.906 -13.908 13.643 463 HA ASP 58 HA ASP 58 4.167 -12.361 11.315 464 HB2 ASP 58 2HB ASP 58 4.754 -14.374 10.200 465 HB3 ASP 58 1HB ASP 58 5.327 -14.560 11.854 466 H THR 59 H THR 59 1.446 -13.941 12.676 467 HA THR 59 HA THR 59 -0.106 -14.415 10.413 468 HB THR 59 HB THR 59 -0.780 -15.262 12.605 469 HG1 THR 59 1HG THR 59 -2.873 -15.056 12.198 470 HG21 THR 59 1HG2 THR 59 -1.368 -12.383 13.324 471 HG22 THR 59 2HG2 THR 59 -0.053 -13.354 13.982 472 HG23 THR 59 3HG2 THR 59 -1.728 -13.793 14.321 473 H GLU 60 H GLU 60 0.527 -11.457 12.210 474 HA GLU 60 HA GLU 60 -1.496 -9.905 10.975 475 HB2 GLU 60 2HB GLU 60 1.095 -8.990 12.215 476 HB3 GLU 60 1HB GLU 60 -0.292 -7.981 11.835 477 HG2 GLU 60 2HG GLU 60 -1.634 -9.274 13.431 478 HG3 GLU 60 1HG GLU 60 -0.183 -10.180 13.867 479 H ALA 61 H ALA 61 1.896 -10.518 10.273 480 HA ALA 61 HA ALA 61 2.172 -8.670 8.167 481 HB1 ALA 61 1HB ALA 61 4.091 -9.708 9.278 482 HB2 ALA 61 2HB ALA 61 4.147 -9.980 7.536 483 HB3 ALA 61 3HB ALA 61 3.633 -11.276 8.615 484 H ALA 62 H ALA 62 1.217 -12.066 8.259 485 HA ALA 62 HA ALA 62 0.941 -12.425 5.478 486 HB1 ALA 62 1HB ALA 62 -0.517 -13.842 7.709 487 HB2 ALA 62 2HB ALA 62 1.069 -14.284 7.080 488 HB3 ALA 62 3HB ALA 62 -0.355 -14.407 6.046 489 H LYS 63 H LYS 63 -1.341 -11.410 7.989 490 HA LYS 63 HA LYS 63 -3.591 -11.297 6.290 491 HB2 LYS 63 2HB LYS 63 -3.019 -10.014 8.955 492 HB3 LYS 63 1HB LYS 63 -4.554 -9.813 8.120 493 HG2 LYS 63 2HG LYS 63 -4.897 -12.233 8.151 494 HG3 LYS 63 1HG LYS 63 -3.355 -12.442 8.976 495 HD2 LYS 63 2HD LYS 63 -5.667 -10.844 10.075 496 HD3 LYS 63 1HD LYS 63 -5.353 -12.531 10.476 497 HE2 LYS 63 2HE LYS 63 -3.077 -11.809 11.270 498 HE3 LYS 63 1HE LYS 63 -3.614 -10.142 11.061 499 HZ1 LYS 63 1HZ LYS 63 -3.902 -10.841 13.345 500 HZ2 LYS 63 2HZ LYS 63 -4.831 -12.161 12.859 501 HZ3 LYS 63 3HZ LYS 63 -5.420 -10.599 12.634 502 H GLN 64 H GLN 64 -1.126 -8.903 7.102 503 HA GLN 64 HA GLN 64 -2.419 -6.717 5.849 504 HB2 GLN 64 2HB GLN 64 0.529 -7.218 6.308 505 HB3 GLN 64 1HB GLN 64 -0.139 -5.696 5.734 506 HG2 GLN 64 2HG GLN 64 -0.620 -6.998 8.404 507 HG3 GLN 64 1HG GLN 64 0.303 -5.531 8.083 508 HE21 GLN 64 1HE2 GLN 64 -2.008 -5.960 9.807 509 HE22 GLN 64 2HE2 GLN 64 -3.221 -4.855 9.265 510 H GLY 65 H GLY 65 -0.152 -9.159 4.682 511 HA2 GLY 65 2HA GLY 65 0.088 -8.182 2.044 512 HA3 GLY 65 1HA GLY 65 0.360 -9.846 2.551 513 H ASP 66 H ASP 66 -2.233 -10.280 3.618 514 HA ASP 66 HA ASP 66 -3.635 -11.187 1.364 515 HB2 ASP 66 2HB ASP 66 -3.991 -12.256 3.478 516 HB3 ASP 66 1HB ASP 66 -4.483 -10.744 4.230 517 H GLN 67 H GLN 67 -4.034 -8.301 3.357 518 HA GLN 67 HA GLN 67 -6.329 -7.302 2.026 519 HB2 GLN 67 2HB GLN 67 -4.177 -5.819 3.552 520 HB3 GLN 67 1HB GLN 67 -5.730 -5.144 3.078 521 HG2 GLN 67 2HG GLN 67 -5.344 -7.486 4.928 522 HG3 GLN 67 1HG GLN 67 -5.670 -5.828 5.430 523 HE21 GLN 67 1HE2 GLN 67 -7.194 -8.294 5.839 524 HE22 GLN 67 2HE2 GLN 67 -8.768 -7.979 5.204 525 H TRP 68 H TRP 68 -2.872 -6.810 1.613 526 HA TRP 68 HA TRP 68 -2.928 -4.834 -0.358 527 HB2 TRP 68 2HB TRP 68 -0.954 -6.833 0.568 528 HB3 TRP 68 1HB TRP 68 -0.680 -6.107 -1.009 529 HD1 TRP 68 HD TRP 68 0.546 -5.681 2.221 530 HE1 TRP 68 1HE TRP 68 1.218 -3.232 2.728 531 HE3 TRP 68 3HE TRP 68 -2.020 -3.353 -1.516 532 HZ2 TRP 68 2HZ TRP 68 0.713 -0.659 1.648 533 HZ3 TRP 68 3HZ TRP 68 -1.887 -0.913 -1.701 534 HH2 TRP 68 HH TRP 68 -0.555 0.401 -0.146 535 H VAL 69 H VAL 69 -2.703 -8.351 -0.705 536 HA VAL 69 HA VAL 69 -2.401 -8.368 -3.479 537 HB VAL 69 HB VAL 69 -3.559 -10.509 -1.684 538 HG11 VAL 69 1HG1 VAL 69 -4.205 -10.900 -4.010 539 HG12 VAL 69 2HG1 VAL 69 -3.003 -12.080 -3.485 540 HG13 VAL 69 3HG1 VAL 69 -2.523 -10.731 -4.514 541 HG21 VAL 69 1HG2 VAL 69 -1.289 -9.848 -1.093 542 HG22 VAL 69 2HG2 VAL 69 -0.776 -10.078 -2.764 543 HG23 VAL 69 3HG2 VAL 69 -1.300 -11.463 -1.808 544 H GLN 70 H GLN 70 -5.355 -8.538 -1.529 545 HA GLN 70 HA GLN 70 -7.109 -9.007 -3.679 546 HB2 GLN 70 2HB GLN 70 -7.589 -7.651 -1.025 547 HB3 GLN 70 1HB GLN 70 -8.864 -8.100 -2.150 548 HG2 GLN 70 2HG GLN 70 -8.343 -10.424 -1.909 549 HG3 GLN 70 1HG GLN 70 -6.922 -10.046 -0.936 550 HE21 GLN 70 1HE2 GLN 70 -7.177 -9.428 1.177 551 HE22 GLN 70 2HE2 GLN 70 -8.666 -9.622 2.039 552 H LEU 71 H LEU 71 -6.031 -5.988 -2.161 553 HA LEU 71 HA LEU 71 -7.581 -4.315 -3.860 554 HB2 LEU 71 2HB LEU 71 -5.183 -3.721 -2.138 555 HB3 LEU 71 1HB LEU 71 -6.085 -2.494 -2.998 556 HG LEU 71 HG LEU 71 -7.121 -4.250 -0.772 557 HD11 LEU 71 1HD1 LEU 71 -5.628 -2.455 -0.045 558 HD12 LEU 71 2HD1 LEU 71 -7.290 -2.174 0.473 559 HD13 LEU 71 3HD1 LEU 71 -6.632 -1.280 -0.897 560 HD21 LEU 71 1HD2 LEU 71 -9.166 -2.878 -0.933 561 HD22 LEU 71 2HD2 LEU 71 -8.895 -3.862 -2.368 562 HD23 LEU 71 3HD2 LEU 71 -8.530 -2.137 -2.402 563 H PHE 72 H PHE 72 -4.181 -5.303 -3.887 564 HA PHE 72 HA PHE 72 -3.390 -3.658 -6.029 565 HB2 PHE 72 2HB PHE 72 -1.833 -4.709 -4.404 566 HB3 PHE 72 1HB PHE 72 -2.151 -6.271 -5.148 567 HD1 PHE 72 1HD PHE 72 -0.735 -2.911 -5.760 568 HD2 PHE 72 2HD PHE 72 -0.989 -6.949 -7.082 569 HE1 PHE 72 1HE PHE 72 1.082 -2.496 -7.363 570 HE2 PHE 72 2HE PHE 72 0.828 -6.541 -8.687 571 HZ PHE 72 HZ PHE 72 1.866 -4.313 -8.829 572 H GLN 73 H GLN 73 -4.427 -7.075 -5.975 573 HA GLN 73 HA GLN 73 -3.956 -7.528 -8.711 574 HB2 GLN 73 2HB GLN 73 -5.871 -8.898 -6.823 575 HB3 GLN 73 1HB GLN 73 -5.547 -9.447 -8.461 576 HG2 GLN 73 2HG GLN 73 -3.596 -9.292 -6.178 577 HG3 GLN 73 1HG GLN 73 -4.251 -10.747 -6.927 578 HE21 GLN 73 1HE2 GLN 73 -3.518 -11.358 -8.959 579 HE22 GLN 73 2HE2 GLN 73 -2.058 -10.733 -9.640 580 H ARG 74 H ARG 74 -6.889 -6.501 -6.999 581 HA ARG 74 HA ARG 74 -8.523 -6.434 -9.302 582 HB2 ARG 74 2HB ARG 74 -8.722 -5.157 -6.599 583 HB3 ARG 74 1HB ARG 74 -9.867 -4.741 -7.865 584 HG2 ARG 74 2HG ARG 74 -9.372 -7.518 -6.809 585 HG3 ARG 74 1HG ARG 74 -10.720 -6.472 -6.360 586 HD2 ARG 74 2HD ARG 74 -11.314 -6.396 -8.819 587 HD3 ARG 74 1HD ARG 74 -10.135 -7.685 -9.057 588 HE ARG 74 HE ARG 74 -11.871 -8.447 -7.011 589 HH11 ARG 74 1HH1 ARG 74 -11.873 -7.976 -10.497 590 HH12 ARG 74 2HH1 ARG 74 -13.232 -9.011 -10.761 591 HH21 ARG 74 1HH2 ARG 74 -13.669 -9.842 -7.377 592 HH22 ARG 74 2HH2 ARG 74 -14.253 -10.083 -8.985 593 H PHE 75 H PHE 75 -6.537 -3.960 -7.734 594 HA PHE 75 HA PHE 75 -7.377 -1.825 -9.369 595 HB2 PHE 75 2HB PHE 75 -6.177 -1.517 -7.227 596 HB3 PHE 75 1HB PHE 75 -4.721 -2.178 -7.962 597 HD1 PHE 75 1HD PHE 75 -7.194 0.565 -8.345 598 HD2 PHE 75 2HD PHE 75 -3.203 -0.753 -8.990 599 HE1 PHE 75 1HE PHE 75 -6.578 2.819 -9.104 600 HE2 PHE 75 2HE PHE 75 -2.580 1.503 -9.753 601 HZ PHE 75 HZ PHE 75 -4.267 3.290 -9.809 602 H ARG 76 H ARG 76 -4.585 -4.006 -9.626 603 HA ARG 76 HA ARG 76 -3.617 -2.822 -12.004 604 HB2 ARG 76 2HB ARG 76 -2.416 -4.408 -10.317 605 HB3 ARG 76 1HB ARG 76 -3.086 -5.694 -11.312 606 HG2 ARG 76 2HG ARG 76 -1.876 -5.003 -13.207 607 HG3 ARG 76 1HG ARG 76 -1.461 -3.454 -12.473 608 HD2 ARG 76 2HD ARG 76 -0.181 -4.766 -10.731 609 HD3 ARG 76 1HD ARG 76 -0.421 -6.187 -11.749 610 HE ARG 76 HE ARG 76 0.632 -4.277 -13.415 611 HH11 ARG 76 1HH1 ARG 76 1.697 -5.808 -10.433 612 HH12 ARG 76 2HH1 ARG 76 3.378 -5.661 -10.796 613 HH21 ARG 76 1HH2 ARG 76 2.822 -4.095 -13.922 614 HH22 ARG 76 2HH2 ARG 76 4.028 -4.686 -12.820 615 H GLU 77 H GLU 77 -5.848 -5.471 -11.361 616 HA GLU 77 HA GLU 77 -6.153 -6.420 -13.990 617 HB2 GLU 77 2HB GLU 77 -7.002 -7.672 -12.085 618 HB3 GLU 77 1HB GLU 77 -8.112 -6.372 -11.684 619 HG2 GLU 77 2HG GLU 77 -9.270 -6.759 -13.839 620 HG3 GLU 77 1HG GLU 77 -8.208 -8.137 -14.119 621 H ALA 78 H ALA 78 -7.955 -3.954 -12.174 622 HA ALA 78 HA ALA 78 -9.808 -3.336 -14.177 623 HB1 ALA 78 1HB ALA 78 -10.094 -2.659 -11.850 624 HB2 ALA 78 2HB ALA 78 -10.216 -1.273 -12.935 625 HB3 ALA 78 3HB ALA 78 -8.742 -1.539 -12.004 626 H ILE 79 H ILE 79 -6.542 -2.122 -13.599 627 HA ILE 79 HA ILE 79 -6.599 -0.035 -15.512 628 HB ILE 79 HB ILE 79 -4.239 -1.685 -14.564 629 HG12 ILE 79 2HG1 ILE 79 -5.220 1.046 -13.709 630 HG13 ILE 79 1HG1 ILE 79 -5.357 -0.437 -12.772 631 HG21 ILE 79 1HG2 ILE 79 -3.743 -0.636 -16.707 632 HG22 ILE 79 2HG2 ILE 79 -2.832 0.142 -15.413 633 HG23 ILE 79 3HG2 ILE 79 -4.263 0.929 -16.078 634 HD11 ILE 79 1HD1 ILE 79 -2.930 -0.572 -12.626 635 HD12 ILE 79 2HD1 ILE 79 -3.534 0.953 -11.977 636 HD13 ILE 79 3HD1 ILE 79 -2.789 0.907 -13.575 637 H ASP 80 H ASP 80 -5.573 -3.418 -15.720 638 HA ASP 80 HA ASP 80 -4.865 -3.339 -18.465 639 HB2 ASP 80 2HB ASP 80 -3.982 -5.074 -17.023 640 HB3 ASP 80 1HB ASP 80 -5.603 -5.653 -16.659 641 H LYS 81 H LYS 81 -7.836 -3.929 -16.751 642 HA LYS 81 HA LYS 81 -9.307 -4.898 -19.015 643 HB2 LYS 81 2HB LYS 81 -9.771 -5.317 -16.524 644 HB3 LYS 81 1HB LYS 81 -10.459 -3.703 -16.497 645 HG2 LYS 81 2HG LYS 81 -12.230 -5.287 -16.729 646 HG3 LYS 81 1HG LYS 81 -12.059 -4.420 -18.258 647 HD2 LYS 81 2HD LYS 81 -10.898 -6.264 -19.248 648 HD3 LYS 81 1HD LYS 81 -10.799 -7.098 -17.698 649 HE2 LYS 81 2HE LYS 81 -13.263 -7.251 -17.668 650 HE3 LYS 81 1HE LYS 81 -13.305 -6.499 -19.262 651 HZ1 LYS 81 1HZ LYS 81 -12.042 -8.357 -20.136 652 HZ2 LYS 81 2HZ LYS 81 -13.458 -8.908 -19.406 653 HZ3 LYS 81 3HZ LYS 81 -11.979 -9.073 -18.607 654 H GLY 82 H GLY 82 -8.261 -1.851 -17.990 655 HA2 GLY 82 2HA GLY 82 -8.582 0.244 -18.879 656 HA3 GLY 82 1HA GLY 82 -9.583 -0.499 -20.119 657 H ASP 83 H ASP 83 -10.241 -0.885 -16.711 658 HA ASP 83 HA ASP 83 -12.736 0.590 -17.146 659 HB2 ASP 83 2HB ASP 83 -12.934 -1.784 -16.439 660 HB3 ASP 83 1HB ASP 83 -12.108 -1.374 -14.938 661 H LYS 84 H LYS 84 -12.210 2.650 -16.724 662 HA LYS 84 HA LYS 84 -10.596 3.462 -14.524 663 HB2 LYS 84 2HB LYS 84 -10.833 4.776 -16.611 664 HB3 LYS 84 1HB LYS 84 -12.505 5.107 -16.193 665 HG2 LYS 84 2HG LYS 84 -11.835 6.408 -14.292 666 HG3 LYS 84 1HG LYS 84 -10.146 5.945 -14.517 667 HD2 LYS 84 2HD LYS 84 -10.102 7.101 -16.666 668 HD3 LYS 84 1HD LYS 84 -11.801 7.528 -16.483 669 HE2 LYS 84 2HE LYS 84 -10.302 9.390 -15.924 670 HE3 LYS 84 1HE LYS 84 -11.290 8.890 -14.553 671 HZ1 LYS 84 1HZ LYS 84 -8.829 9.336 -14.163 672 HZ2 LYS 84 2HZ LYS 84 -8.551 7.845 -14.914 673 HZ3 LYS 84 3HZ LYS 84 -9.492 7.931 -13.500 674 H ASP 85 H ASP 85 -13.930 2.755 -14.924 675 HA ASP 85 HA ASP 85 -15.111 4.284 -12.908 676 HB2 ASP 85 2HB ASP 85 -16.480 3.101 -14.486 677 HB3 ASP 85 1HB ASP 85 -15.799 1.554 -13.999 678 H SER 86 H SER 86 -13.778 0.978 -12.727 679 HA SER 86 HA SER 86 -14.141 0.780 -9.910 680 HB2 SER 86 2HB SER 86 -12.231 -0.789 -11.659 681 HB3 SER 86 1HB SER 86 -12.828 -1.255 -10.066 682 HG SER 86 HG SER 86 -14.268 -1.025 -12.499 683 H LEU 87 H LEU 87 -11.536 1.863 -11.993 684 HA LEU 87 HA LEU 87 -9.429 1.819 -10.158 685 HB2 LEU 87 2HB LEU 87 -9.884 3.586 -12.551 686 HB3 LEU 87 1HB LEU 87 -8.380 3.532 -11.654 687 HG LEU 87 HG LEU 87 -9.611 1.187 -13.102 688 HD11 LEU 87 1HD1 LEU 87 -7.808 1.450 -14.700 689 HD12 LEU 87 2HD1 LEU 87 -7.225 2.869 -13.838 690 HD13 LEU 87 3HD1 LEU 87 -8.788 2.913 -14.646 691 HD21 LEU 87 1HD2 LEU 87 -8.315 0.499 -11.187 692 HD22 LEU 87 2HD2 LEU 87 -6.971 1.520 -11.700 693 HD23 LEU 87 3HD2 LEU 87 -7.445 0.128 -12.675 694 H GLU 88 H GLU 88 -11.721 4.432 -10.887 695 HA GLU 88 HA GLU 88 -10.549 6.405 -9.293 696 HB2 GLU 88 2HB GLU 88 -13.459 5.948 -9.953 697 HB3 GLU 88 1HB GLU 88 -12.830 7.412 -9.215 698 HG2 GLU 88 2HG GLU 88 -12.077 6.350 -11.929 699 HG3 GLU 88 1HG GLU 88 -13.200 7.671 -11.613 700 H GLN 89 H GLN 89 -12.989 3.969 -8.453 701 HA GLN 89 HA GLN 89 -13.305 4.781 -5.764 702 HB2 GLN 89 2HB GLN 89 -14.966 3.415 -6.961 703 HB3 GLN 89 1HB GLN 89 -13.814 2.090 -7.042 704 HG2 GLN 89 2HG GLN 89 -13.790 2.026 -4.574 705 HG3 GLN 89 1HG GLN 89 -15.042 3.264 -4.572 706 HE21 GLN 89 1HE2 GLN 89 -16.512 1.940 -3.544 707 HE22 GLN 89 2HE2 GLN 89 -17.275 0.604 -4.332 708 H LEU 90 H LEU 90 -11.310 2.347 -7.357 709 HA LEU 90 HA LEU 90 -10.270 1.189 -5.024 710 HB2 LEU 90 2HB LEU 90 -9.158 1.289 -7.817 711 HB3 LEU 90 1HB LEU 90 -8.462 0.331 -6.524 712 HG LEU 90 HG LEU 90 -11.248 -0.009 -7.644 713 HD11 LEU 90 1HD1 LEU 90 -9.504 -0.695 -9.212 714 HD12 LEU 90 2HD1 LEU 90 -10.413 -2.075 -8.595 715 HD13 LEU 90 3HD1 LEU 90 -8.802 -1.730 -7.968 716 HD21 LEU 90 1HD2 LEU 90 -9.729 -1.607 -5.582 717 HD22 LEU 90 2HD2 LEU 90 -11.270 -2.074 -6.299 718 HD23 LEU 90 3HD2 LEU 90 -11.168 -0.625 -5.301 719 H LEU 91 H LEU 91 -9.168 3.956 -6.930 720 HA LEU 91 HA LEU 91 -6.682 4.338 -5.680 721 HB2 LEU 91 2HB LEU 91 -8.637 6.321 -6.840 722 HB3 LEU 91 1HB LEU 91 -7.061 6.787 -6.239 723 HG LEU 91 HG LEU 91 -7.505 4.835 -8.496 724 HD11 LEU 91 1HD1 LEU 91 -8.282 7.062 -9.106 725 HD12 LEU 91 2HD1 LEU 91 -6.789 6.661 -9.955 726 HD13 LEU 91 3HD1 LEU 91 -6.751 7.753 -8.571 727 HD21 LEU 91 1HD2 LEU 91 -5.112 5.217 -8.915 728 HD22 LEU 91 2HD2 LEU 91 -5.398 4.497 -7.332 729 HD23 LEU 91 3HD2 LEU 91 -5.026 6.217 -7.464 730 H GLU 92 H GLU 92 -9.896 5.506 -4.833 731 HA GLU 92 HA GLU 92 -9.174 7.006 -2.561 732 HB2 GLU 92 2HB GLU 92 -11.348 7.153 -3.777 733 HB3 GLU 92 1HB GLU 92 -11.780 5.577 -3.131 734 HG2 GLU 92 2HG GLU 92 -12.875 7.188 -1.811 735 HG3 GLU 92 1HG GLU 92 -11.545 6.557 -0.843 736 H GLU 93 H GLU 93 -10.245 3.670 -2.982 737 HA GLU 93 HA GLU 93 -10.313 2.927 -0.258 738 HB2 GLU 93 2HB GLU 93 -11.363 1.725 -2.234 739 HB3 GLU 93 1HB GLU 93 -9.758 1.121 -2.613 740 HG2 GLU 93 2HG GLU 93 -10.939 -0.575 -1.443 741 HG3 GLU 93 1HG GLU 93 -9.689 0.060 -0.375 742 H LEU 94 H LEU 94 -7.811 2.857 -2.714 743 HA LEU 94 HA LEU 94 -5.914 1.289 -1.360 744 HB2 LEU 94 2HB LEU 94 -5.988 1.861 -3.802 745 HB3 LEU 94 1HB LEU 94 -5.405 3.457 -3.389 746 HG LEU 94 HG LEU 94 -3.317 2.467 -2.539 747 HD11 LEU 94 1HD1 LEU 94 -4.084 0.303 -1.832 748 HD12 LEU 94 2HD1 LEU 94 -2.860 0.086 -3.086 749 HD13 LEU 94 3HD1 LEU 94 -4.567 -0.110 -3.477 750 HD21 LEU 94 1HD2 LEU 94 -3.444 3.224 -4.847 751 HD22 LEU 94 2HD2 LEU 94 -4.069 1.652 -5.345 752 HD23 LEU 94 3HD2 LEU 94 -2.424 1.790 -4.725 753 H GLU 95 H GLU 95 -6.277 4.835 -1.594 754 HA GLU 95 HA GLU 95 -4.060 5.406 0.067 755 HB2 GLU 95 2HB GLU 95 -5.071 7.070 -1.456 756 HB3 GLU 95 1HB GLU 95 -6.497 7.123 -0.428 757 HG2 GLU 95 2HG GLU 95 -5.166 7.980 1.413 758 HG3 GLU 95 1HG GLU 95 -3.710 7.876 0.426 759 H GLN 96 H GLN 96 -7.503 4.903 0.747 760 HA GLN 96 HA GLN 96 -7.522 5.626 3.419 761 HB2 GLN 96 2HB GLN 96 -9.482 5.255 1.954 762 HB3 GLN 96 1HB GLN 96 -9.130 3.535 1.958 763 HG2 GLN 96 2HG GLN 96 -10.829 3.862 3.468 764 HG3 GLN 96 1HG GLN 96 -9.367 3.608 4.423 765 HE21 GLN 96 1HE2 GLN 96 -10.142 4.666 6.243 766 HE22 GLN 96 2HE2 GLN 96 -10.390 6.377 6.290 767 H ALA 97 H ALA 97 -6.659 2.674 1.735 768 HA ALA 97 HA ALA 97 -6.534 0.915 3.905 769 HB1 ALA 97 1HB ALA 97 -6.526 0.172 1.572 770 HB2 ALA 97 2HB ALA 97 -5.165 -0.499 2.470 771 HB3 ALA 97 3HB ALA 97 -4.912 0.851 1.364 772 H LEU 98 H LEU 98 -4.177 3.191 2.619 773 HA LEU 98 HA LEU 98 -1.935 2.284 4.064 774 HB2 LEU 98 2HB LEU 98 -2.629 5.076 3.149 775 HB3 LEU 98 1HB LEU 98 -1.053 4.579 3.729 776 HG LEU 98 HG LEU 98 -2.408 3.531 1.245 777 HD11 LEU 98 1HD1 LEU 98 -0.094 5.433 1.576 778 HD12 LEU 98 2HD1 LEU 98 -1.713 5.855 1.018 779 HD13 LEU 98 3HD1 LEU 98 -0.696 4.791 0.047 780 HD21 LEU 98 1HD2 LEU 98 -0.967 1.856 2.249 781 HD22 LEU 98 2HD2 LEU 98 0.343 3.029 2.381 782 HD23 LEU 98 3HD2 LEU 98 -0.214 2.505 0.792 783 H GLN 99 H GLN 99 -4.473 4.593 4.847 784 HA GLN 99 HA GLN 99 -3.437 5.345 7.372 785 HB2 GLN 99 2HB GLN 99 -4.980 6.789 6.227 786 HB3 GLN 99 1HB GLN 99 -6.181 5.512 6.125 787 HG2 GLN 99 2HG GLN 99 -6.822 7.089 7.794 788 HG3 GLN 99 1HG GLN 99 -6.405 5.557 8.556 789 HE21 GLN 99 1HE2 GLN 99 -5.998 6.469 10.520 790 HE22 GLN 99 2HE2 GLN 99 -4.613 7.464 10.836 791 H LYS 100 H LYS 100 -5.847 3.010 6.278 792 HA LYS 100 HA LYS 100 -6.729 2.103 8.777 793 HB2 LYS 100 2HB LYS 100 -7.857 1.723 6.593 794 HB3 LYS 100 1HB LYS 100 -6.598 0.576 6.174 795 HG2 LYS 100 2HG LYS 100 -7.285 -0.872 8.002 796 HG3 LYS 100 1HG LYS 100 -8.525 0.295 8.471 797 HD2 LYS 100 2HD LYS 100 -9.591 0.034 6.272 798 HD3 LYS 100 1HD LYS 100 -8.364 -1.151 5.824 799 HE2 LYS 100 2HE LYS 100 -10.343 -1.412 8.086 800 HE3 LYS 100 1HE LYS 100 -10.441 -2.230 6.529 801 HZ1 LYS 100 1HZ LYS 100 -8.359 -2.605 8.605 802 HZ2 LYS 100 2HZ LYS 100 -8.301 -3.300 7.067 803 HZ3 LYS 100 3HZ LYS 100 -9.535 -3.723 8.134 804 H ILE 101 H ILE 101 -4.187 0.851 6.633 805 HA ILE 101 HA ILE 101 -3.479 -1.345 8.263 806 HB ILE 101 HB ILE 101 -1.900 0.122 6.137 807 HG12 ILE 101 2HG1 ILE 101 -3.330 -2.548 6.084 808 HG13 ILE 101 1HG1 ILE 101 -3.946 -1.055 5.386 809 HG21 ILE 101 1HG2 ILE 101 -0.342 -0.961 7.661 810 HG22 ILE 101 2HG2 ILE 101 -0.381 -1.806 6.113 811 HG23 ILE 101 3HG2 ILE 101 -1.224 -2.481 7.507 812 HD11 ILE 101 1HD1 ILE 101 -2.997 -2.501 3.683 813 HD12 ILE 101 2HD1 ILE 101 -1.450 -2.507 4.531 814 HD13 ILE 101 3HD1 ILE 101 -2.064 -1.011 3.828 815 H ARG 102 H ARG 102 -2.308 1.995 8.110 816 HA ARG 102 HA ARG 102 -0.091 1.662 9.808 817 HB2 ARG 102 2HB ARG 102 -0.730 3.706 8.360 818 HB3 ARG 102 1HB ARG 102 -1.708 4.196 9.737 819 HG2 ARG 102 2HG ARG 102 0.421 3.951 11.123 820 HG3 ARG 102 1HG ARG 102 1.272 3.894 9.580 821 HD2 ARG 102 2HD ARG 102 1.351 6.147 10.220 822 HD3 ARG 102 1HD ARG 102 0.053 6.068 9.028 823 HE ARG 102 HE ARG 102 -0.879 5.732 11.724 824 HH11 ARG 102 1HH1 ARG 102 0.015 8.138 9.317 825 HH12 ARG 102 2HH1 ARG 102 -0.959 9.381 10.019 826 HH21 ARG 102 1HH2 ARG 102 -2.120 7.371 12.662 827 HH22 ARG 102 2HH2 ARG 102 -2.171 8.948 11.954 828 H GLU 103 H GLU 103 -3.449 2.592 10.493 829 HA GLU 103 HA GLU 103 -3.134 2.967 13.257 830 HB2 GLU 103 2HB GLU 103 -5.561 2.199 11.639 831 HB3 GLU 103 1HB GLU 103 -5.620 2.569 13.357 832 HG2 GLU 103 2HG GLU 103 -4.738 4.808 12.891 833 HG3 GLU 103 1HG GLU 103 -4.730 4.433 11.170 834 H LEU 104 H LEU 104 -3.765 0.074 11.370 835 HA LEU 104 HA LEU 104 -4.284 -1.643 13.560 836 HB2 LEU 104 2HB LEU 104 -3.218 -2.219 10.797 837 HB3 LEU 104 1HB LEU 104 -3.627 -3.467 11.957 838 HG LEU 104 HG LEU 104 -5.572 -1.468 10.798 839 HD11 LEU 104 1HD1 LEU 104 -5.199 -4.403 10.221 840 HD12 LEU 104 2HD1 LEU 104 -4.797 -3.074 9.134 841 HD13 LEU 104 3HD1 LEU 104 -6.477 -3.375 9.575 842 HD21 LEU 104 1HD2 LEU 104 -5.978 -3.842 12.617 843 HD22 LEU 104 2HD2 LEU 104 -7.270 -2.927 11.845 844 HD23 LEU 104 3HD2 LEU 104 -6.225 -2.145 13.030 845 H ALA 105 H ALA 105 -1.356 -0.583 11.961 846 HA ALA 105 HA ALA 105 0.382 -2.362 13.366 847 HB1 ALA 105 1HB ALA 105 1.028 0.193 11.899 848 HB2 ALA 105 2HB ALA 105 0.971 -1.417 11.183 849 HB3 ALA 105 3HB ALA 105 2.185 -1.038 12.405 850 H GLU 106 H GLU 106 -0.957 0.793 14.002 851 HA GLU 106 HA GLU 106 0.954 1.502 16.028 852 HB2 GLU 106 2HB GLU 106 -1.735 2.693 15.338 853 HB3 GLU 106 1HB GLU 106 -0.604 3.382 16.492 854 HG2 GLU 106 2HG GLU 106 1.024 3.732 14.733 855 HG3 GLU 106 1HG GLU 106 -0.043 2.954 13.565 856 H LYS 107 H LYS 107 -2.015 -0.256 15.951 857 HA LYS 107 HA LYS 107 -3.319 -1.241 17.526 858 HB2 LYS 107 2HB LYS 107 -0.648 -1.330 18.933 859 HB3 LYS 107 1HB LYS 107 -2.084 -2.123 19.560 860 HG2 LYS 107 2HG LYS 107 -0.764 -2.697 16.918 861 HG3 LYS 107 1HG LYS 107 -0.656 -3.685 18.377 862 HD2 LYS 107 2HD LYS 107 -3.133 -3.950 18.301 863 HD3 LYS 107 1HD LYS 107 -3.131 -3.098 16.755 864 HE2 LYS 107 2HE LYS 107 -1.815 -5.724 17.403 865 HE3 LYS 107 1HE LYS 107 -3.179 -5.447 16.321 866 HZ1 LYS 107 1HZ LYS 107 -1.689 -4.102 14.924 867 HZ2 LYS 107 2HZ LYS 107 -1.195 -5.726 15.044 868 HZ3 LYS 107 3HZ LYS 107 -0.393 -4.530 15.928 869 H LYS 108 H LYS 108 -2.034 -0.676 20.464 870 HA LYS 108 HA LYS 108 -3.513 1.813 20.925 871 HB2 LYS 108 2HB LYS 108 -3.713 -0.748 22.521 872 HB3 LYS 108 1HB LYS 108 -4.349 0.799 23.053 873 HG2 LYS 108 2HG LYS 108 -5.915 0.841 21.237 874 HG3 LYS 108 1HG LYS 108 -5.205 -0.621 20.548 875 HD2 LYS 108 2HD LYS 108 -5.902 -1.917 22.449 876 HD3 LYS 108 1HD LYS 108 -6.468 -0.467 23.281 877 HE2 LYS 108 2HE LYS 108 -8.302 -1.767 22.279 878 HE3 LYS 108 1HE LYS 108 -8.185 -0.137 21.622 879 HZ1 LYS 108 1HZ LYS 108 -7.119 -2.581 20.312 880 HZ2 LYS 108 2HZ LYS 108 -7.096 -1.018 19.674 881 HZ3 LYS 108 3HZ LYS 108 -8.565 -1.807 19.911 882 H ASN 109 H ASN 109 -3.113 2.044 23.598 883 HA ASN 109 HA ASN 109 -0.240 2.440 23.769 884 HB2 ASN 109 2HB ASN 109 -1.602 4.318 24.456 885 HB3 ASN 109 1HB ASN 109 -2.512 3.310 25.573 886 HD21 ASN 109 1HD2 ASN 109 0.468 4.978 25.000 887 HD22 ASN 109 2HD2 ASN 109 1.091 4.840 26.608 Start of MODEL 17 1 H1 SER 1 1HT SER 1 19.378 -2.242 13.017 2 H2 SER 1 2HT SER 1 19.295 -0.561 12.901 3 H3 SER 1 3HT SER 1 19.130 -1.512 11.514 4 HA SER 1 HA SER 1 17.103 -2.456 12.337 5 HB2 SER 1 2HB SER 1 17.456 -0.519 14.635 6 HB3 SER 1 1HB SER 1 16.091 -1.609 14.387 7 HG SER 1 HG SER 1 17.205 -3.135 15.275 8 H GLU 2 H GLU 2 17.853 0.969 13.023 9 HA GLU 2 HA GLU 2 17.037 2.908 12.234 10 HB2 GLU 2 2HB GLU 2 16.495 1.306 9.733 11 HB3 GLU 2 1HB GLU 2 16.575 3.057 9.835 12 HG2 GLU 2 2HG GLU 2 18.823 1.110 10.270 13 HG3 GLU 2 1HG GLU 2 18.623 2.224 8.918 14 H PHE 3 H PHE 3 15.314 2.286 13.888 15 HA PHE 3 HA PHE 3 12.780 1.387 13.064 16 HB2 PHE 3 2HB PHE 3 13.545 3.080 15.448 17 HB3 PHE 3 1HB PHE 3 11.972 2.328 15.213 18 HD1 PHE 3 1HD PHE 3 15.270 1.912 16.484 19 HD2 PHE 3 2HD PHE 3 11.900 -0.213 14.992 20 HE1 PHE 3 1HE PHE 3 16.091 -0.141 17.561 21 HE2 PHE 3 2HE PHE 3 12.716 -2.268 16.068 22 HZ PHE 3 HZ PHE 3 14.811 -2.235 17.354 23 H GLU 4 H GLU 4 14.244 4.554 13.140 24 HA GLU 4 HA GLU 4 11.950 6.124 12.783 25 HB2 GLU 4 2HB GLU 4 14.180 7.036 13.332 26 HB3 GLU 4 1HB GLU 4 14.743 6.602 11.725 27 HG2 GLU 4 2HG GLU 4 13.034 8.126 10.778 28 HG3 GLU 4 1HG GLU 4 12.640 8.631 12.419 29 H LYS 5 H LYS 5 14.114 4.578 10.449 30 HA LYS 5 HA LYS 5 12.712 5.519 8.157 31 HB2 LYS 5 2HB LYS 5 14.669 3.235 8.423 32 HB3 LYS 5 1HB LYS 5 14.123 3.940 6.906 33 HG2 LYS 5 2HG LYS 5 15.136 6.066 7.509 34 HG3 LYS 5 1HG LYS 5 15.655 5.391 9.053 35 HD2 LYS 5 2HD LYS 5 16.971 3.693 7.792 36 HD3 LYS 5 1HD LYS 5 16.541 4.535 6.302 37 HE2 LYS 5 2HE LYS 5 18.068 5.705 8.627 38 HE3 LYS 5 1HE LYS 5 18.754 5.188 7.090 39 HZ1 LYS 5 1HZ LYS 5 18.457 7.554 7.106 40 HZ2 LYS 5 2HZ LYS 5 16.824 7.407 7.497 41 HZ3 LYS 5 3HZ LYS 5 17.382 6.878 5.991 42 H LEU 6 H LEU 6 12.444 2.727 10.219 43 HA LEU 6 HA LEU 6 10.840 1.144 8.517 44 HB2 LEU 6 2HB LEU 6 10.824 1.244 11.537 45 HB3 LEU 6 1HB LEU 6 10.142 -0.034 10.554 46 HG LEU 6 HG LEU 6 13.064 0.651 10.863 47 HD11 LEU 6 1HD1 LEU 6 12.104 -0.561 12.741 48 HD12 LEU 6 2HD1 LEU 6 13.232 -1.571 11.838 49 HD13 LEU 6 3HD1 LEU 6 11.494 -1.797 11.641 50 HD21 LEU 6 1HD2 LEU 6 12.644 -0.003 8.559 51 HD22 LEU 6 2HD2 LEU 6 11.779 -1.439 9.102 52 HD23 LEU 6 3HD2 LEU 6 13.505 -1.281 9.414 53 H ARG 7 H ARG 7 10.084 3.643 10.894 54 HA ARG 7 HA ARG 7 7.261 3.489 10.656 55 HB2 ARG 7 2HB ARG 7 8.946 5.899 11.370 56 HB3 ARG 7 1HB ARG 7 7.229 5.709 11.684 57 HG2 ARG 7 2HG ARG 7 7.755 3.812 13.181 58 HG3 ARG 7 1HG ARG 7 9.472 4.131 12.920 59 HD2 ARG 7 2HD ARG 7 7.444 5.968 14.185 60 HD3 ARG 7 1HD ARG 7 8.793 5.165 14.982 61 HE ARG 7 HE ARG 7 9.405 7.033 12.818 62 HH11 ARG 7 1HH1 ARG 7 9.396 6.345 16.255 63 HH12 ARG 7 2HH1 ARG 7 10.368 7.718 16.660 64 HH21 ARG 7 1HH2 ARG 7 10.709 8.847 13.354 65 HH22 ARG 7 2HH2 ARG 7 11.120 9.143 15.009 66 H GLN 8 H GLN 8 9.764 5.236 8.943 67 HA GLN 8 HA GLN 8 8.150 6.917 7.384 68 HB2 GLN 8 2HB GLN 8 10.877 5.755 6.812 69 HB3 GLN 8 1HB GLN 8 10.116 7.005 5.841 70 HG2 GLN 8 2HG GLN 8 10.758 7.257 8.767 71 HG3 GLN 8 1HG GLN 8 11.760 7.871 7.454 72 HE21 GLN 8 1HE2 GLN 8 9.587 8.750 5.798 73 HE22 GLN 8 2HE2 GLN 8 8.915 10.146 6.566 74 H THR 9 H THR 9 9.067 3.572 7.026 75 HA THR 9 HA THR 9 8.454 3.201 4.322 76 HB THR 9 HB THR 9 8.183 1.212 6.589 77 HG1 THR 9 1HG THR 9 10.309 2.353 6.123 78 HG21 THR 9 1HG2 THR 9 8.543 -0.482 4.835 79 HG22 THR 9 2HG2 THR 9 8.529 0.789 3.611 80 HG23 THR 9 3HG2 THR 9 7.073 0.448 4.544 81 H GLY 10 H GLY 10 6.396 2.916 7.214 82 HA2 GLY 10 2HA GLY 10 4.074 2.057 5.831 83 HA3 GLY 10 1HA GLY 10 4.111 2.764 7.440 84 H ASP 11 H ASP 11 5.206 5.242 6.849 85 HA ASP 11 HA ASP 11 2.900 6.648 5.956 86 HB2 ASP 11 2HB ASP 11 4.499 7.506 7.670 87 HB3 ASP 11 1HB ASP 11 5.682 7.747 6.389 88 H GLU 12 H GLU 12 5.958 5.792 4.490 89 HA GLU 12 HA GLU 12 5.892 7.420 2.224 90 HB2 GLU 12 2HB GLU 12 7.811 5.987 3.069 91 HB3 GLU 12 1HB GLU 12 7.013 4.621 2.307 92 HG2 GLU 12 2HG GLU 12 8.768 5.497 0.891 93 HG3 GLU 12 1HG GLU 12 7.190 5.723 0.137 94 H LEU 13 H LEU 13 4.344 4.342 2.913 95 HA LEU 13 HA LEU 13 3.466 3.673 0.342 96 HB2 LEU 13 2HB LEU 13 2.281 3.198 3.070 97 HB3 LEU 13 1HB LEU 13 1.504 2.607 1.617 98 HG LEU 13 HG LEU 13 4.320 1.856 2.391 99 HD11 LEU 13 1HD1 LEU 13 3.374 -0.246 3.202 100 HD12 LEU 13 2HD1 LEU 13 1.747 0.367 2.910 101 HD13 LEU 13 3HD1 LEU 13 2.767 1.123 4.133 102 HD21 LEU 13 1HD2 LEU 13 3.776 1.587 0.033 103 HD22 LEU 13 2HD2 LEU 13 2.328 0.675 0.458 104 HD23 LEU 13 3HD2 LEU 13 3.923 0.015 0.819 105 H VAL 14 H VAL 14 1.945 5.656 2.850 106 HA VAL 14 HA VAL 14 -0.404 6.285 1.451 107 HB VAL 14 HB VAL 14 1.026 8.016 3.486 108 HG11 VAL 14 1HG1 VAL 14 -1.875 7.935 2.656 109 HG12 VAL 14 2HG1 VAL 14 -0.720 9.214 2.281 110 HG13 VAL 14 3HG1 VAL 14 -1.203 8.925 3.952 111 HG21 VAL 14 1HG2 VAL 14 0.666 5.771 4.361 112 HG22 VAL 14 2HG2 VAL 14 -1.036 5.852 3.907 113 HG23 VAL 14 3HG2 VAL 14 -0.405 6.925 5.156 114 H GLN 15 H GLN 15 2.726 7.932 1.636 115 HA GLN 15 HA GLN 15 2.048 10.158 0.042 116 HB2 GLN 15 2HB GLN 15 4.764 8.887 0.388 117 HB3 GLN 15 1HB GLN 15 4.449 10.510 -0.200 118 HG2 GLN 15 2HG GLN 15 3.428 11.039 2.005 119 HG3 GLN 15 1HG GLN 15 3.950 9.449 2.568 120 HE21 GLN 15 1HE2 GLN 15 5.335 10.263 4.119 121 HE22 GLN 15 2HE2 GLN 15 6.814 11.063 3.701 122 H ALA 16 H ALA 16 3.438 7.006 -0.771 123 HA ALA 16 HA ALA 16 3.996 7.494 -3.471 124 HB1 ALA 16 1HB ALA 16 4.840 5.543 -2.253 125 HB2 ALA 16 2HB ALA 16 4.009 5.066 -3.735 126 HB3 ALA 16 3HB ALA 16 3.205 4.884 -2.176 127 H PHE 17 H PHE 17 1.079 6.253 -1.908 128 HA PHE 17 HA PHE 17 -0.352 5.875 -4.299 129 HB2 PHE 17 2HB PHE 17 -1.243 6.144 -1.443 130 HB3 PHE 17 1HB PHE 17 -2.400 5.964 -2.761 131 HD1 PHE 17 1HD PHE 17 -0.451 4.233 -0.418 132 HD2 PHE 17 2HD PHE 17 -1.888 3.985 -4.409 133 HE1 PHE 17 1HE PHE 17 -0.105 1.801 -0.388 134 HE2 PHE 17 2HE PHE 17 -1.551 1.548 -4.383 135 HZ PHE 17 HZ PHE 17 -0.658 0.454 -2.371 136 H GLN 18 H GLN 18 0.011 8.688 -2.212 137 HA GLN 18 HA GLN 18 -1.958 10.307 -3.390 138 HB2 GLN 18 2HB GLN 18 0.713 11.120 -2.220 139 HB3 GLN 18 1HB GLN 18 -0.618 12.211 -2.562 140 HG2 GLN 18 2HG GLN 18 -0.665 9.949 -0.580 141 HG3 GLN 18 1HG GLN 18 -0.478 11.658 -0.195 142 HE21 GLN 18 1HE2 GLN 18 -2.518 9.741 0.617 143 HE22 GLN 18 2HE2 GLN 18 -4.032 10.421 0.133 144 H ARG 19 H ARG 19 1.431 9.739 -4.223 145 HA ARG 19 HA ARG 19 1.561 11.516 -6.438 146 HB2 ARG 19 2HB ARG 19 3.153 8.979 -5.988 147 HB3 ARG 19 1HB ARG 19 3.595 10.316 -7.039 148 HG2 ARG 19 2HG ARG 19 3.963 11.753 -5.179 149 HG3 ARG 19 1HG ARG 19 3.278 10.571 -4.063 150 HD2 ARG 19 2HD ARG 19 5.124 9.010 -4.736 151 HD3 ARG 19 1HD ARG 19 5.848 10.351 -5.624 152 HE ARG 19 HE ARG 19 5.891 11.534 -3.424 153 HH11 ARG 19 1HH1 ARG 19 6.030 8.016 -3.592 154 HH12 ARG 19 2HH1 ARG 19 6.763 7.865 -2.028 155 HH21 ARG 19 1HH2 ARG 19 6.877 11.289 -1.368 156 HH22 ARG 19 2HH2 ARG 19 7.230 9.689 -0.777 157 H LEU 20 H LEU 20 0.857 8.091 -6.088 158 HA LEU 20 HA LEU 20 0.618 7.367 -8.779 159 HB2 LEU 20 2HB LEU 20 0.723 5.856 -6.768 160 HB3 LEU 20 1HB LEU 20 -0.949 6.260 -6.450 161 HG LEU 20 HG LEU 20 -1.449 5.327 -8.776 162 HD11 LEU 20 1HD1 LEU 20 0.145 3.705 -9.637 163 HD12 LEU 20 2HD1 LEU 20 1.286 4.137 -8.366 164 HD13 LEU 20 3HD1 LEU 20 0.851 5.320 -9.597 165 HD21 LEU 20 1HD2 LEU 20 -1.508 3.027 -7.928 166 HD22 LEU 20 2HD2 LEU 20 -2.064 4.185 -6.719 167 HD23 LEU 20 3HD2 LEU 20 -0.446 3.495 -6.600 168 H ARG 21 H ARG 21 -1.701 8.712 -6.505 169 HA ARG 21 HA ARG 21 -4.065 8.449 -7.972 170 HB2 ARG 21 2HB ARG 21 -3.569 9.292 -5.533 171 HB3 ARG 21 1HB ARG 21 -3.531 10.869 -6.300 172 HG2 ARG 21 2HG ARG 21 -5.715 10.688 -5.553 173 HG3 ARG 21 1HG ARG 21 -5.833 10.224 -7.249 174 HD2 ARG 21 2HD ARG 21 -5.932 7.916 -6.703 175 HD3 ARG 21 1HD ARG 21 -5.485 8.226 -5.028 176 HE ARG 21 HE ARG 21 -8.100 8.650 -6.258 177 HH11 ARG 21 1HH1 ARG 21 -6.060 8.989 -3.420 178 HH12 ARG 21 2HH1 ARG 21 -7.389 9.146 -2.315 179 HH21 ARG 21 1HH2 ARG 21 -9.864 8.849 -4.792 180 HH22 ARG 21 2HH2 ARG 21 -9.556 9.066 -3.102 181 H GLU 22 H GLU 22 -1.677 11.069 -7.889 182 HA GLU 22 HA GLU 22 -3.003 12.810 -9.670 183 HB2 GLU 22 2HB GLU 22 -0.076 12.564 -8.974 184 HB3 GLU 22 1HB GLU 22 -0.762 13.878 -9.916 185 HG2 GLU 22 2HG GLU 22 -1.394 13.198 -7.060 186 HG3 GLU 22 1HG GLU 22 -0.446 14.568 -7.638 187 H ILE 23 H ILE 23 -0.485 10.391 -10.139 188 HA ILE 23 HA ILE 23 -0.073 10.847 -12.878 189 HB ILE 23 HB ILE 23 0.304 8.286 -11.311 190 HG12 ILE 23 2HG1 ILE 23 2.286 10.467 -11.998 191 HG13 ILE 23 1HG1 ILE 23 1.535 10.256 -10.420 192 HG21 ILE 23 1HG2 ILE 23 0.233 7.976 -13.756 193 HG22 ILE 23 2HG2 ILE 23 1.819 7.632 -13.069 194 HG23 ILE 23 3HG2 ILE 23 1.535 9.155 -13.920 195 HD11 ILE 23 1HD1 ILE 23 2.606 8.080 -10.202 196 HD12 ILE 23 2HD1 ILE 23 3.791 9.360 -10.467 197 HD13 ILE 23 3HD1 ILE 23 3.345 8.282 -11.790 198 H PHE 24 H PHE 24 -2.271 8.670 -11.149 199 HA PHE 24 HA PHE 24 -3.358 7.395 -13.419 200 HB2 PHE 24 2HB PHE 24 -3.731 6.402 -11.266 201 HB3 PHE 24 1HB PHE 24 -4.482 7.870 -10.651 202 HD1 PHE 24 1HD PHE 24 -4.924 5.275 -13.284 203 HD2 PHE 24 2HD PHE 24 -6.785 8.052 -10.654 204 HE1 PHE 24 1HE PHE 24 -7.131 4.430 -13.955 205 HE2 PHE 24 2HE PHE 24 -8.997 7.205 -11.320 206 HZ PHE 24 HZ PHE 24 -9.171 5.394 -12.973 207 H ASP 25 H ASP 25 -4.212 10.319 -11.678 208 HA ASP 25 HA ASP 25 -6.603 10.909 -13.030 209 HB2 ASP 25 2HB ASP 25 -5.862 11.979 -10.909 210 HB3 ASP 25 1HB ASP 25 -4.628 12.850 -11.810 211 H LYS 26 H LYS 26 -3.297 11.215 -13.941 212 HA LYS 26 HA LYS 26 -3.931 12.931 -16.213 213 HB2 LYS 26 2HB LYS 26 -1.286 11.812 -15.271 214 HB3 LYS 26 1HB LYS 26 -1.494 12.913 -16.625 215 HG2 LYS 26 2HG LYS 26 -2.119 13.507 -13.739 216 HG3 LYS 26 1HG LYS 26 -0.736 14.105 -14.657 217 HD2 LYS 26 2HD LYS 26 -2.280 15.263 -16.191 218 HD3 LYS 26 1HD LYS 26 -3.643 14.691 -15.228 219 HE2 LYS 26 2HE LYS 26 -3.088 16.981 -14.643 220 HE3 LYS 26 1HE LYS 26 -2.776 15.901 -13.285 221 HZ1 LYS 26 1HZ LYS 26 -0.437 15.943 -13.818 222 HZ2 LYS 26 2HZ LYS 26 -0.998 17.521 -13.620 223 HZ3 LYS 26 3HZ LYS 26 -0.720 16.913 -15.171 224 H GLY 27 H GLY 27 -3.746 9.649 -15.468 225 HA2 GLY 27 2HA GLY 27 -4.222 7.832 -16.803 226 HA3 GLY 27 1HA GLY 27 -4.305 8.914 -18.182 227 H ASP 28 H ASP 28 -1.427 9.008 -16.282 228 HA ASP 28 HA ASP 28 0.038 7.957 -18.566 229 HB2 ASP 28 2HB ASP 28 0.739 10.062 -17.355 230 HB3 ASP 28 1HB ASP 28 1.213 9.037 -16.004 231 H ASP 29 H ASP 29 -0.252 5.793 -18.569 232 HA ASP 29 HA ASP 29 -0.180 4.131 -16.290 233 HB2 ASP 29 2HB ASP 29 -0.090 2.259 -17.884 234 HB3 ASP 29 1HB ASP 29 -1.312 3.443 -18.336 235 H ASP 30 H ASP 30 2.341 5.287 -18.399 236 HA ASP 30 HA ASP 30 4.340 3.394 -17.820 237 HB2 ASP 30 2HB ASP 30 4.580 4.965 -19.665 238 HB3 ASP 30 1HB ASP 30 4.594 6.320 -18.544 239 H SER 31 H SER 31 3.665 6.550 -16.359 240 HA SER 31 HA SER 31 5.676 6.313 -14.377 241 HB2 SER 31 2HB SER 31 3.241 8.098 -14.347 242 HB3 SER 31 1HB SER 31 4.732 8.326 -13.431 243 HG SER 31 HG SER 31 4.435 8.352 -16.258 244 H LEU 32 H LEU 32 2.296 5.358 -14.524 245 HA LEU 32 HA LEU 32 1.817 4.985 -11.787 246 HB2 LEU 32 2HB LEU 32 0.720 3.564 -14.211 247 HB3 LEU 32 1HB LEU 32 0.172 3.216 -12.589 248 HG LEU 32 HG LEU 32 -0.095 5.876 -13.993 249 HD11 LEU 32 1HD1 LEU 32 -1.549 4.146 -14.938 250 HD12 LEU 32 2HD1 LEU 32 -2.476 5.357 -14.058 251 HD13 LEU 32 3HD1 LEU 32 -2.162 3.784 -13.326 252 HD21 LEU 32 1HD2 LEU 32 0.135 6.136 -11.585 253 HD22 LEU 32 2HD2 LEU 32 -1.128 4.934 -11.322 254 HD23 LEU 32 3HD2 LEU 32 -1.520 6.472 -12.092 255 H GLU 33 H GLU 33 3.112 2.783 -14.246 256 HA GLU 33 HA GLU 33 3.350 0.528 -12.611 257 HB2 GLU 33 2HB GLU 33 3.517 0.568 -15.106 258 HB3 GLU 33 1HB GLU 33 5.123 1.260 -14.941 259 HG2 GLU 33 2HG GLU 33 5.796 -0.748 -13.660 260 HG3 GLU 33 1HG GLU 33 4.212 -1.441 -13.998 261 H GLN 34 H GLN 34 5.514 3.259 -13.125 262 HA GLN 34 HA GLN 34 7.824 2.236 -11.890 263 HB2 GLN 34 2HB GLN 34 6.879 5.105 -11.894 264 HB3 GLN 34 1HB GLN 34 8.524 4.547 -11.635 265 HG2 GLN 34 2HG GLN 34 8.636 3.750 -13.920 266 HG3 GLN 34 1HG GLN 34 6.960 4.238 -14.185 267 HE21 GLN 34 1HE2 GLN 34 7.453 5.696 -15.803 268 HE22 GLN 34 2HE2 GLN 34 8.282 7.177 -15.489 269 H VAL 35 H VAL 35 5.149 4.155 -10.570 270 HA VAL 35 HA VAL 35 6.151 4.173 -7.900 271 HB VAL 35 HB VAL 35 3.319 4.652 -8.872 272 HG11 VAL 35 1HG1 VAL 35 4.662 5.418 -6.281 273 HG12 VAL 35 2HG1 VAL 35 3.403 4.200 -6.482 274 HG13 VAL 35 3HG1 VAL 35 3.040 5.900 -6.777 275 HG21 VAL 35 1HG2 VAL 35 5.574 6.594 -8.383 276 HG22 VAL 35 2HG2 VAL 35 3.909 7.037 -8.758 277 HG23 VAL 35 3HG2 VAL 35 4.879 6.166 -9.947 278 H LEU 36 H LEU 36 3.919 2.090 -9.673 279 HA LEU 36 HA LEU 36 2.942 0.631 -7.485 280 HB2 LEU 36 2HB LEU 36 3.398 -0.249 -10.334 281 HB3 LEU 36 1HB LEU 36 2.528 -1.196 -9.145 282 HG LEU 36 HG LEU 36 1.700 1.508 -10.199 283 HD11 LEU 36 1HD1 LEU 36 -0.123 0.279 -11.258 284 HD12 LEU 36 2HD1 LEU 36 0.561 -1.238 -10.678 285 HD13 LEU 36 3HD1 LEU 36 1.449 -0.261 -11.847 286 HD21 LEU 36 1HD2 LEU 36 0.997 1.230 -7.895 287 HD22 LEU 36 2HD2 LEU 36 0.328 -0.358 -8.267 288 HD23 LEU 36 3HD2 LEU 36 -0.391 1.089 -8.973 289 H GLU 37 H GLU 37 5.881 0.299 -9.378 290 HA GLU 37 HA GLU 37 6.736 -2.136 -8.212 291 HB2 GLU 37 2HB GLU 37 7.643 -1.197 -10.330 292 HB3 GLU 37 1HB GLU 37 8.429 0.069 -9.399 293 HG2 GLU 37 2HG GLU 37 9.753 -1.622 -8.228 294 HG3 GLU 37 1HG GLU 37 8.971 -2.881 -9.179 295 H GLU 38 H GLU 38 7.291 1.273 -7.425 296 HA GLU 38 HA GLU 38 9.062 0.890 -5.278 297 HB2 GLU 38 2HB GLU 38 7.070 3.071 -5.866 298 HB3 GLU 38 1HB GLU 38 8.157 3.145 -4.498 299 HG2 GLU 38 2HG GLU 38 10.049 2.946 -6.135 300 HG3 GLU 38 1HG GLU 38 8.847 3.159 -7.411 301 H ILE 39 H ILE 39 5.554 1.177 -5.399 302 HA ILE 39 HA ILE 39 5.061 0.937 -2.660 303 HB ILE 39 HB ILE 39 3.310 0.100 -4.987 304 HG12 ILE 39 2HG1 ILE 39 3.260 2.622 -3.317 305 HG13 ILE 39 1HG1 ILE 39 4.001 2.503 -4.909 306 HG21 ILE 39 1HG2 ILE 39 2.596 -0.992 -2.928 307 HG22 ILE 39 2HG2 ILE 39 1.442 0.257 -3.396 308 HG23 ILE 39 3HG2 ILE 39 2.589 0.560 -2.091 309 HD11 ILE 39 1HD1 ILE 39 1.089 2.075 -4.285 310 HD12 ILE 39 2HD1 ILE 39 1.832 1.982 -5.882 311 HD13 ILE 39 3HD1 ILE 39 1.794 3.517 -5.015 312 H GLU 40 H GLU 40 5.546 -1.476 -5.171 313 HA GLU 40 HA GLU 40 4.743 -3.771 -3.766 314 HB2 GLU 40 2HB GLU 40 5.200 -3.780 -6.165 315 HB3 GLU 40 1HB GLU 40 6.894 -3.437 -5.867 316 HG2 GLU 40 2HG GLU 40 6.682 -5.740 -6.412 317 HG3 GLU 40 1HG GLU 40 7.069 -5.622 -4.698 318 H GLU 41 H GLU 41 7.914 -2.196 -4.012 319 HA GLU 41 HA GLU 41 9.288 -3.993 -2.331 320 HB2 GLU 41 2HB GLU 41 10.394 -2.372 -3.855 321 HB3 GLU 41 1HB GLU 41 9.876 -1.066 -2.797 322 HG2 GLU 41 2HG GLU 41 11.141 -2.229 -0.952 323 HG3 GLU 41 1HG GLU 41 11.828 -3.263 -2.202 324 H LEU 42 H LEU 42 7.617 -0.943 -1.723 325 HA LEU 42 HA LEU 42 8.250 -0.695 1.000 326 HB2 LEU 42 2HB LEU 42 5.805 0.270 -0.473 327 HB3 LEU 42 1HB LEU 42 6.284 0.793 1.128 328 HG LEU 42 HG LEU 42 7.865 1.245 -1.395 329 HD11 LEU 42 1HD1 LEU 42 7.207 3.586 -1.139 330 HD12 LEU 42 2HD1 LEU 42 6.197 3.151 0.240 331 HD13 LEU 42 3HD1 LEU 42 5.804 2.543 -1.368 332 HD21 LEU 42 1HD2 LEU 42 8.288 2.226 1.427 333 HD22 LEU 42 2HD2 LEU 42 9.196 2.765 0.017 334 HD23 LEU 42 3HD2 LEU 42 9.308 1.088 0.546 335 H ILE 43 H ILE 43 5.572 -2.327 -0.626 336 HA ILE 43 HA ILE 43 4.116 -3.030 1.679 337 HB ILE 43 HB ILE 43 4.293 -4.466 -0.984 338 HG12 ILE 43 2HG1 ILE 43 2.236 -2.557 0.140 339 HG13 ILE 43 1HG1 ILE 43 3.423 -2.173 -1.096 340 HG21 ILE 43 1HG2 ILE 43 3.529 -6.014 0.739 341 HG22 ILE 43 2HG2 ILE 43 2.203 -5.591 -0.346 342 HG23 ILE 43 3HG2 ILE 43 2.302 -4.856 1.255 343 HD11 ILE 43 1HD1 ILE 43 1.222 -2.560 -2.055 344 HD12 ILE 43 2HD1 ILE 43 1.199 -4.184 -1.367 345 HD13 ILE 43 3HD1 ILE 43 2.380 -3.768 -2.610 346 H GLN 44 H GLN 44 6.646 -4.781 -0.081 347 HA GLN 44 HA GLN 44 6.653 -7.043 1.629 348 HB2 GLN 44 2HB GLN 44 8.845 -5.971 -0.153 349 HB3 GLN 44 1HB GLN 44 8.808 -7.576 0.566 350 HG2 GLN 44 2HG GLN 44 6.806 -8.114 -0.702 351 HG3 GLN 44 1HG GLN 44 6.802 -6.496 -1.400 352 HE21 GLN 44 1HE2 GLN 44 6.966 -9.080 -2.697 353 HE22 GLN 44 2HE2 GLN 44 8.425 -9.066 -3.621 354 H LYS 45 H LYS 45 8.406 -4.015 1.601 355 HA LYS 45 HA LYS 45 10.238 -4.555 3.678 356 HB2 LYS 45 2HB LYS 45 10.095 -2.599 1.964 357 HB3 LYS 45 1HB LYS 45 9.047 -1.843 3.151 358 HG2 LYS 45 2HG LYS 45 10.899 -2.067 4.813 359 HG3 LYS 45 1HG LYS 45 11.934 -2.621 3.495 360 HD2 LYS 45 2HD LYS 45 10.562 0.062 3.719 361 HD3 LYS 45 1HD LYS 45 12.290 -0.257 3.844 362 HE2 LYS 45 2HE LYS 45 10.646 -0.793 1.366 363 HE3 LYS 45 1HE LYS 45 11.550 0.689 1.644 364 HZ1 LYS 45 1HZ LYS 45 13.583 -0.579 1.717 365 HZ2 LYS 45 2HZ LYS 45 12.768 -0.897 0.270 366 HZ3 LYS 45 3HZ LYS 45 12.735 -2.030 1.526 367 H HIS 46 H HIS 46 7.003 -3.138 3.618 368 HA HIS 46 HA HIS 46 6.762 -2.651 6.396 369 HB2 HIS 46 2HB HIS 46 5.354 -1.624 4.570 370 HB3 HIS 46 1HB HIS 46 4.543 -3.172 4.397 371 HD1 HIS 46 1HD HIS 46 2.340 -3.175 5.577 372 HD2 HIS 46 2HD HIS 46 5.121 -0.739 7.466 373 HE1 HIS 46 1HE HIS 46 1.144 -2.122 7.535 374 H ARG 47 H ARG 47 6.000 -5.374 4.311 375 HA ARG 47 HA ARG 47 4.666 -7.034 6.134 376 HB2 ARG 47 2HB ARG 47 4.695 -7.550 3.768 377 HB3 ARG 47 1HB ARG 47 6.445 -7.691 3.776 378 HG2 ARG 47 2HG ARG 47 5.570 -9.888 3.685 379 HG3 ARG 47 1HG ARG 47 6.183 -9.650 5.321 380 HD2 ARG 47 2HD ARG 47 3.868 -9.116 6.047 381 HD3 ARG 47 1HD ARG 47 3.309 -9.519 4.423 382 HE ARG 47 HE ARG 47 4.808 -11.534 5.923 383 HH11 ARG 47 1HH1 ARG 47 1.765 -10.464 4.540 384 HH12 ARG 47 2HH1 ARG 47 0.959 -11.969 4.794 385 HH21 ARG 47 1HH2 ARG 47 3.733 -13.551 6.278 386 HH22 ARG 47 2HH2 ARG 47 2.088 -13.729 5.788 387 H GLN 48 H GLN 48 8.092 -6.474 5.536 388 HA GLN 48 HA GLN 48 9.133 -8.564 7.074 389 HB2 GLN 48 2HB GLN 48 10.395 -7.204 5.413 390 HB3 GLN 48 1HB GLN 48 10.367 -5.858 6.542 391 HG2 GLN 48 2HG GLN 48 12.487 -7.031 6.581 392 HG3 GLN 48 1HG GLN 48 11.664 -7.140 8.137 393 HE21 GLN 48 1HE2 GLN 48 12.777 -8.992 8.740 394 HE22 GLN 48 2HE2 GLN 48 12.470 -10.530 8.019 395 H LEU 49 H LEU 49 7.910 -5.406 7.927 396 HA LEU 49 HA LEU 49 9.011 -5.178 10.505 397 HB2 LEU 49 2HB LEU 49 6.372 -4.150 9.460 398 HB3 LEU 49 1HB LEU 49 7.121 -3.647 10.961 399 HG LEU 49 HG LEU 49 8.192 -3.163 8.184 400 HD11 LEU 49 1HD1 LEU 49 7.752 -0.826 8.667 401 HD12 LEU 49 2HD1 LEU 49 7.105 -1.260 10.248 402 HD13 LEU 49 3HD1 LEU 49 6.271 -1.777 8.784 403 HD21 LEU 49 1HD2 LEU 49 10.029 -3.518 9.703 404 HD22 LEU 49 2HD2 LEU 49 9.311 -2.416 10.878 405 HD23 LEU 49 3HD2 LEU 49 9.890 -1.800 9.330 406 H PHE 50 H PHE 50 6.014 -6.648 9.349 407 HA PHE 50 HA PHE 50 5.114 -7.425 11.950 408 HB2 PHE 50 2HB PHE 50 4.298 -8.440 9.216 409 HB3 PHE 50 1HB PHE 50 3.466 -8.808 10.721 410 HD1 PHE 50 1HD PHE 50 3.890 -6.451 8.043 411 HD2 PHE 50 2HD PHE 50 2.335 -6.961 11.965 412 HE1 PHE 50 1HE PHE 50 2.496 -4.451 7.747 413 HE2 PHE 50 2HE PHE 50 0.937 -4.959 11.678 414 HZ PHE 50 HZ PHE 50 1.017 -3.700 9.566 415 H ASP 51 H ASP 51 7.089 -8.839 9.471 416 HA ASP 51 HA ASP 51 6.967 -11.522 10.446 417 HB2 ASP 51 2HB ASP 51 7.472 -10.890 8.089 418 HB3 ASP 51 1HB ASP 51 9.018 -10.253 8.628 419 H ASN 52 H ASN 52 9.293 -8.866 10.762 420 HA ASN 52 HA ASN 52 11.153 -10.481 12.276 421 HB2 ASN 52 2HB ASN 52 12.029 -8.771 10.800 422 HB3 ASN 52 1HB ASN 52 11.106 -7.528 11.632 423 HD21 ASN 52 1HD2 ASN 52 12.917 -10.158 13.147 424 HD22 ASN 52 2HD2 ASN 52 14.066 -9.139 13.934 425 H ARG 53 H ARG 53 9.011 -7.739 12.993 426 HA ARG 53 HA ARG 53 9.788 -7.678 15.750 427 HB2 ARG 53 2HB ARG 53 9.151 -5.619 14.670 428 HB3 ARG 53 1HB ARG 53 7.565 -6.270 14.276 429 HG2 ARG 53 2HG ARG 53 7.144 -6.467 16.742 430 HG3 ARG 53 1HG ARG 53 8.640 -5.567 16.995 431 HD2 ARG 53 2HD ARG 53 7.766 -3.676 15.810 432 HD3 ARG 53 1HD ARG 53 6.331 -4.584 15.334 433 HE ARG 53 HE ARG 53 6.927 -3.492 17.978 434 HH11 ARG 53 1HH1 ARG 53 4.783 -5.372 15.943 435 HH12 ARG 53 2HH1 ARG 53 3.395 -5.166 16.940 436 HH21 ARG 53 1HH2 ARG 53 5.101 -3.227 19.353 437 HH22 ARG 53 2HH2 ARG 53 3.586 -3.938 18.924 438 H GLN 54 H GLN 54 7.274 -9.236 13.932 439 HA GLN 54 HA GLN 54 5.652 -10.713 14.481 440 HB2 GLN 54 2HB GLN 54 7.313 -11.647 16.124 441 HB3 GLN 54 1HB GLN 54 6.684 -10.544 17.334 442 HG2 GLN 54 2HG GLN 54 4.810 -12.423 15.992 443 HG3 GLN 54 1HG GLN 54 5.910 -13.043 17.220 444 HE21 GLN 54 1HE2 GLN 54 3.002 -12.784 17.172 445 HE22 GLN 54 2HE2 GLN 54 2.586 -11.863 18.581 446 H GLU 55 H GLU 55 3.479 -10.424 14.883 447 HA GLU 55 HA GLU 55 2.814 -7.890 16.241 448 HB2 GLU 55 2HB GLU 55 2.776 -7.921 13.670 449 HB3 GLU 55 1HB GLU 55 1.340 -8.919 13.831 450 HG2 GLU 55 2HG GLU 55 0.712 -6.621 13.487 451 HG3 GLU 55 1HG GLU 55 0.263 -7.124 15.118 452 H ALA 56 H ALA 56 0.635 -7.750 17.065 453 HA ALA 56 HA ALA 56 -0.220 -9.974 18.523 454 HB1 ALA 56 1HB ALA 56 -0.800 -7.668 19.126 455 HB2 ALA 56 2HB ALA 56 -2.245 -8.669 18.989 456 HB3 ALA 56 3HB ALA 56 -1.823 -7.548 17.695 457 H ALA 57 H ALA 57 -1.081 -11.786 17.805 458 HA ALA 57 HA ALA 57 -2.122 -13.332 16.535 459 HB1 ALA 57 1HB ALA 57 -4.221 -12.741 15.409 460 HB2 ALA 57 2HB ALA 57 -3.866 -11.028 15.631 461 HB3 ALA 57 3HB ALA 57 -4.163 -12.054 17.033 462 H ASP 58 H ASP 58 -0.108 -13.462 15.427 463 HA ASP 58 HA ASP 58 0.618 -11.966 13.179 464 HB2 ASP 58 2HB ASP 58 1.381 -14.800 13.913 465 HB3 ASP 58 1HB ASP 58 2.153 -13.855 12.647 466 H THR 59 H THR 59 -1.147 -15.007 13.443 467 HA THR 59 HA THR 59 -1.258 -15.594 10.719 468 HB THR 59 HB THR 59 -1.869 -17.282 12.345 469 HG1 THR 59 1HG THR 59 -2.916 -17.877 10.593 470 HG21 THR 59 1HG2 THR 59 -2.904 -15.830 14.036 471 HG22 THR 59 2HG2 THR 59 -3.954 -17.187 13.627 472 HG23 THR 59 3HG2 THR 59 -4.290 -15.583 12.974 473 H GLU 60 H GLU 60 -3.421 -13.609 12.704 474 HA GLU 60 HA GLU 60 -5.239 -13.106 10.562 475 HB2 GLU 60 2HB GLU 60 -5.875 -13.040 12.975 476 HB3 GLU 60 1HB GLU 60 -4.930 -11.566 13.139 477 HG2 GLU 60 2HG GLU 60 -6.373 -10.414 11.596 478 HG3 GLU 60 1HG GLU 60 -7.268 -11.897 11.276 479 H ALA 61 H ALA 61 -2.606 -11.292 12.101 480 HA ALA 61 HA ALA 61 -2.928 -8.906 10.640 481 HB1 ALA 61 1HB ALA 61 -1.591 -9.064 12.693 482 HB2 ALA 61 2HB ALA 61 -0.666 -8.358 11.367 483 HB3 ALA 61 3HB ALA 61 -0.396 -10.036 11.835 484 H ALA 62 H ALA 62 -1.060 -11.825 9.995 485 HA ALA 62 HA ALA 62 0.251 -10.880 7.685 486 HB1 ALA 62 1HB ALA 62 0.977 -12.885 8.888 487 HB2 ALA 62 2HB ALA 62 0.672 -13.237 7.187 488 HB3 ALA 62 3HB ALA 62 -0.505 -13.711 8.411 489 H LYS 63 H LYS 63 -2.889 -12.375 8.228 490 HA LYS 63 HA LYS 63 -3.476 -12.716 5.467 491 HB2 LYS 63 2HB LYS 63 -4.562 -13.908 7.485 492 HB3 LYS 63 1HB LYS 63 -5.565 -12.471 7.619 493 HG2 LYS 63 2HG LYS 63 -6.751 -14.160 6.379 494 HG3 LYS 63 1HG LYS 63 -6.335 -12.829 5.296 495 HD2 LYS 63 2HD LYS 63 -4.452 -14.094 4.417 496 HD3 LYS 63 1HD LYS 63 -4.768 -15.401 5.558 497 HE2 LYS 63 2HE LYS 63 -5.629 -16.024 3.402 498 HE3 LYS 63 1HE LYS 63 -6.986 -15.720 4.483 499 HZ1 LYS 63 1HZ LYS 63 -5.932 -13.822 2.451 500 HZ2 LYS 63 2HZ LYS 63 -7.255 -13.547 3.477 501 HZ3 LYS 63 3HZ LYS 63 -7.339 -14.752 2.303 502 H GLN 64 H GLN 64 -3.900 -10.134 7.793 503 HA GLN 64 HA GLN 64 -5.654 -8.496 6.305 504 HB2 GLN 64 2HB GLN 64 -3.437 -7.652 8.195 505 HB3 GLN 64 1HB GLN 64 -4.747 -6.623 7.641 506 HG2 GLN 64 2HG GLN 64 -5.069 -9.108 9.309 507 HG3 GLN 64 1HG GLN 64 -5.086 -7.456 9.919 508 HE21 GLN 64 1HE2 GLN 64 -7.126 -9.520 10.027 509 HE22 GLN 64 2HE2 GLN 64 -8.531 -8.852 9.281 510 H GLY 65 H GLY 65 -2.136 -8.771 6.408 511 HA2 GLY 65 2HA GLY 65 -1.584 -6.805 4.448 512 HA3 GLY 65 1HA GLY 65 -0.509 -8.119 4.920 513 H ASP 66 H ASP 66 -2.298 -10.231 4.301 514 HA ASP 66 HA ASP 66 -1.732 -10.690 1.589 515 HB2 ASP 66 2HB ASP 66 -2.073 -12.556 3.047 516 HB3 ASP 66 1HB ASP 66 -3.683 -11.997 3.483 517 H GLN 67 H GLN 67 -4.675 -9.601 3.216 518 HA GLN 67 HA GLN 67 -6.328 -9.522 0.921 519 HB2 GLN 67 2HB GLN 67 -6.489 -7.882 3.460 520 HB3 GLN 67 1HB GLN 67 -7.772 -8.036 2.268 521 HG2 GLN 67 2HG GLN 67 -6.619 -10.307 3.872 522 HG3 GLN 67 1HG GLN 67 -8.120 -9.457 4.240 523 HE21 GLN 67 1HE2 GLN 67 -6.518 -11.623 2.018 524 HE22 GLN 67 2HE2 GLN 67 -7.960 -12.211 1.263 525 H TRP 68 H TRP 68 -4.080 -7.293 2.365 526 HA TRP 68 HA TRP 68 -4.691 -5.050 0.780 527 HB2 TRP 68 2HB TRP 68 -3.494 -4.759 2.833 528 HB3 TRP 68 1HB TRP 68 -2.243 -5.889 2.333 529 HD1 TRP 68 HD TRP 68 -0.151 -4.848 1.394 530 HE1 TRP 68 1HE TRP 68 0.512 -2.528 0.490 531 HE3 TRP 68 3HE TRP 68 -4.733 -2.617 1.455 532 HZ2 TRP 68 2HZ TRP 68 -0.738 -0.091 -0.115 533 HZ3 TRP 68 3HZ TRP 68 -4.917 -0.286 0.695 534 HH2 TRP 68 HH TRP 68 -2.960 0.949 -0.073 535 H VAL 69 H VAL 69 -2.383 -7.718 0.463 536 HA VAL 69 HA VAL 69 -1.133 -6.829 -1.899 537 HB VAL 69 HB VAL 69 -1.522 -9.674 -0.917 538 HG11 VAL 69 1HG1 VAL 69 0.372 -10.242 -2.377 539 HG12 VAL 69 2HG1 VAL 69 0.382 -8.592 -2.999 540 HG13 VAL 69 3HG1 VAL 69 -1.004 -9.640 -3.302 541 HG21 VAL 69 1HG2 VAL 69 0.770 -9.459 -0.075 542 HG22 VAL 69 2HG2 VAL 69 -0.302 -8.269 0.663 543 HG23 VAL 69 3HG2 VAL 69 0.809 -7.781 -0.617 544 H GLN 70 H GLN 70 -4.017 -8.810 -1.340 545 HA GLN 70 HA GLN 70 -4.536 -9.458 -4.032 546 HB2 GLN 70 2HB GLN 70 -6.422 -9.128 -1.700 547 HB3 GLN 70 1HB GLN 70 -6.921 -9.726 -3.273 548 HG2 GLN 70 2HG GLN 70 -5.322 -11.591 -3.022 549 HG3 GLN 70 1HG GLN 70 -4.954 -11.010 -1.397 550 HE21 GLN 70 1HE2 GLN 70 -6.126 -13.544 -2.286 551 HE22 GLN 70 2HE2 GLN 70 -7.645 -13.663 -1.471 552 H LEU 71 H LEU 71 -5.560 -6.709 -2.026 553 HA LEU 71 HA LEU 71 -7.196 -5.456 -3.888 554 HB2 LEU 71 2HB LEU 71 -6.860 -5.065 -1.390 555 HB3 LEU 71 1HB LEU 71 -5.448 -4.134 -1.827 556 HG LEU 71 HG LEU 71 -7.467 -2.843 -1.279 557 HD11 LEU 71 1HD1 LEU 71 -5.687 -1.814 -2.560 558 HD12 LEU 71 2HD1 LEU 71 -7.251 -1.225 -3.122 559 HD13 LEU 71 3HD1 LEU 71 -6.377 -2.439 -4.058 560 HD21 LEU 71 1HD2 LEU 71 -9.254 -2.619 -2.921 561 HD22 LEU 71 2HD2 LEU 71 -9.149 -4.269 -2.302 562 HD23 LEU 71 3HD2 LEU 71 -8.513 -3.882 -3.902 563 H PHE 72 H PHE 72 -3.729 -5.158 -3.210 564 HA PHE 72 HA PHE 72 -3.217 -3.106 -5.083 565 HB2 PHE 72 2HB PHE 72 -1.752 -3.713 -3.147 566 HB3 PHE 72 1HB PHE 72 -1.267 -5.159 -4.024 567 HD1 PHE 72 1HD PHE 72 -1.524 -1.484 -4.612 568 HD2 PHE 72 2HD PHE 72 0.724 -5.055 -5.149 569 HE1 PHE 72 1HE PHE 72 0.253 -0.194 -5.713 570 HE2 PHE 72 2HE PHE 72 2.505 -3.770 -6.251 571 HZ PHE 72 HZ PHE 72 2.272 -1.338 -6.535 572 H GLN 73 H GLN 73 -2.961 -6.639 -5.284 573 HA GLN 73 HA GLN 73 -1.913 -6.756 -7.905 574 HB2 GLN 73 2HB GLN 73 -1.898 -8.680 -6.364 575 HB3 GLN 73 1HB GLN 73 -3.652 -8.765 -6.456 576 HG2 GLN 73 2HG GLN 73 -3.465 -9.217 -8.877 577 HG3 GLN 73 1HG GLN 73 -1.711 -9.235 -8.709 578 HE21 GLN 73 1HE2 GLN 73 -3.513 -11.328 -9.581 579 HE22 GLN 73 2HE2 GLN 73 -3.258 -12.663 -8.517 580 H ARG 74 H ARG 74 -5.197 -6.831 -6.640 581 HA ARG 74 HA ARG 74 -6.605 -7.174 -9.028 582 HB2 ARG 74 2HB ARG 74 -7.584 -7.358 -6.779 583 HB3 ARG 74 1HB ARG 74 -7.380 -5.632 -6.548 584 HG2 ARG 74 2HG ARG 74 -8.997 -5.173 -8.280 585 HG3 ARG 74 1HG ARG 74 -9.147 -6.900 -8.628 586 HD2 ARG 74 2HD ARG 74 -9.816 -5.554 -6.012 587 HD3 ARG 74 1HD ARG 74 -10.981 -6.117 -7.210 588 HE ARG 74 HE ARG 74 -9.955 -8.395 -6.784 589 HH11 ARG 74 1HH1 ARG 74 -10.131 -5.928 -4.283 590 HH12 ARG 74 2HH1 ARG 74 -10.116 -7.075 -2.984 591 HH21 ARG 74 1HH2 ARG 74 -9.937 -9.895 -5.060 592 HH22 ARG 74 2HH2 ARG 74 -10.010 -9.327 -3.428 593 H PHE 75 H PHE 75 -5.297 -4.308 -7.475 594 HA PHE 75 HA PHE 75 -6.442 -2.377 -9.172 595 HB2 PHE 75 2HB PHE 75 -5.351 -1.891 -6.980 596 HB3 PHE 75 1HB PHE 75 -3.792 -2.259 -7.703 597 HD1 PHE 75 1HD PHE 75 -6.665 0.059 -7.833 598 HD2 PHE 75 2HD PHE 75 -2.604 -0.621 -8.910 599 HE1 PHE 75 1HE PHE 75 -6.457 2.412 -8.515 600 HE2 PHE 75 2HE PHE 75 -2.391 1.732 -9.596 601 HZ PHE 75 HZ PHE 75 -4.317 3.251 -9.398 602 H ARG 76 H ARG 76 -3.382 -4.172 -9.303 603 HA ARG 76 HA ARG 76 -2.371 -2.997 -11.658 604 HB2 ARG 76 2HB ARG 76 -1.856 -5.595 -10.257 605 HB3 ARG 76 1HB ARG 76 -1.169 -5.314 -11.847 606 HG2 ARG 76 2HG ARG 76 -0.021 -3.325 -10.990 607 HG3 ARG 76 1HG ARG 76 -0.702 -3.634 -9.389 608 HD2 ARG 76 2HD ARG 76 0.480 -5.696 -9.203 609 HD3 ARG 76 1HD ARG 76 0.983 -5.632 -10.888 610 HE ARG 76 HE ARG 76 2.244 -3.532 -10.118 611 HH11 ARG 76 1HH1 ARG 76 1.697 -6.361 -8.112 612 HH12 ARG 76 2HH1 ARG 76 3.143 -6.136 -7.180 613 HH21 ARG 76 1HH2 ARG 76 4.172 -3.259 -8.900 614 HH22 ARG 76 2HH2 ARG 76 4.546 -4.388 -7.641 615 H GLU 77 H GLU 77 -4.397 -5.853 -11.138 616 HA GLU 77 HA GLU 77 -4.475 -6.703 -13.818 617 HB2 GLU 77 2HB GLU 77 -6.498 -7.113 -11.615 618 HB3 GLU 77 1HB GLU 77 -6.507 -7.961 -13.155 619 HG2 GLU 77 2HG GLU 77 -4.246 -8.844 -12.606 620 HG3 GLU 77 1HG GLU 77 -4.407 -8.115 -11.009 621 H ALA 78 H ALA 78 -6.533 -4.466 -12.017 622 HA ALA 78 HA ALA 78 -8.427 -4.058 -14.060 623 HB1 ALA 78 1HB ALA 78 -9.027 -2.015 -12.844 624 HB2 ALA 78 2HB ALA 78 -7.571 -2.179 -11.861 625 HB3 ALA 78 3HB ALA 78 -8.846 -3.391 -11.756 626 H ILE 79 H ILE 79 -5.307 -2.554 -13.375 627 HA ILE 79 HA ILE 79 -5.452 -0.563 -15.405 628 HB ILE 79 HB ILE 79 -3.006 -1.865 -14.164 629 HG12 ILE 79 2HG1 ILE 79 -4.385 0.752 -13.523 630 HG13 ILE 79 1HG1 ILE 79 -4.430 -0.703 -12.533 631 HG21 ILE 79 1HG2 ILE 79 -1.765 0.093 -14.976 632 HG22 ILE 79 2HG2 ILE 79 -3.217 0.669 -15.795 633 HG23 ILE 79 3HG2 ILE 79 -2.456 -0.839 -16.305 634 HD11 ILE 79 1HD1 ILE 79 -2.023 -0.530 -12.177 635 HD12 ILE 79 2HD1 ILE 79 -2.868 0.925 -11.646 636 HD13 ILE 79 3HD1 ILE 79 -1.982 0.927 -13.171 637 H ASP 80 H ASP 80 -4.351 -3.890 -15.290 638 HA ASP 80 HA ASP 80 -3.210 -4.032 -17.857 639 HB2 ASP 80 2HB ASP 80 -2.757 -5.761 -16.232 640 HB3 ASP 80 1HB ASP 80 -4.465 -6.171 -16.130 641 H LYS 81 H LYS 81 -6.496 -4.396 -16.698 642 HA LYS 81 HA LYS 81 -7.571 -5.154 -19.251 643 HB2 LYS 81 2HB LYS 81 -8.583 -5.867 -17.124 644 HB3 LYS 81 1HB LYS 81 -8.888 -4.192 -16.703 645 HG2 LYS 81 2HG LYS 81 -10.384 -4.037 -18.683 646 HG3 LYS 81 1HG LYS 81 -10.158 -5.772 -18.924 647 HD2 LYS 81 2HD LYS 81 -11.033 -6.193 -16.683 648 HD3 LYS 81 1HD LYS 81 -11.264 -4.461 -16.447 649 HE2 LYS 81 2HE LYS 81 -12.620 -6.144 -18.563 650 HE3 LYS 81 1HE LYS 81 -13.362 -5.602 -17.061 651 HZ1 LYS 81 1HZ LYS 81 -12.350 -3.818 -19.211 652 HZ2 LYS 81 2HZ LYS 81 -13.125 -3.310 -17.795 653 HZ3 LYS 81 3HZ LYS 81 -13.969 -4.207 -18.952 654 H GLY 82 H GLY 82 -6.550 -2.256 -17.815 655 HA2 GLY 82 2HA GLY 82 -6.664 -0.067 -18.500 656 HA3 GLY 82 1HA GLY 82 -7.414 -0.638 -19.987 657 H ASP 83 H ASP 83 -8.628 -1.263 -16.775 658 HA ASP 83 HA ASP 83 -11.117 0.079 -17.550 659 HB2 ASP 83 2HB ASP 83 -11.015 -2.396 -16.884 660 HB3 ASP 83 1HB ASP 83 -10.766 -1.819 -15.241 661 H LYS 84 H LYS 84 -10.622 2.187 -16.986 662 HA LYS 84 HA LYS 84 -9.509 2.896 -14.459 663 HB2 LYS 84 2HB LYS 84 -10.945 4.591 -16.508 664 HB3 LYS 84 1HB LYS 84 -10.136 5.229 -15.084 665 HG2 LYS 84 2HG LYS 84 -8.024 4.145 -15.955 666 HG3 LYS 84 1HG LYS 84 -8.900 3.858 -17.457 667 HD2 LYS 84 2HD LYS 84 -8.473 6.563 -16.178 668 HD3 LYS 84 1HD LYS 84 -7.533 5.917 -17.524 669 HE2 LYS 84 2HE LYS 84 -9.580 5.800 -18.878 670 HE3 LYS 84 1HE LYS 84 -10.502 6.466 -17.531 671 HZ1 LYS 84 1HZ LYS 84 -9.917 8.161 -19.164 672 HZ2 LYS 84 2HZ LYS 84 -8.275 7.846 -18.932 673 HZ3 LYS 84 3HZ LYS 84 -9.195 8.487 -17.671 674 H ASP 85 H ASP 85 -12.671 2.297 -15.624 675 HA ASP 85 HA ASP 85 -14.249 3.667 -13.764 676 HB2 ASP 85 2HB ASP 85 -15.267 2.655 -15.685 677 HB3 ASP 85 1HB ASP 85 -14.663 1.065 -15.241 678 H SER 86 H SER 86 -12.986 0.346 -13.664 679 HA SER 86 HA SER 86 -13.894 -0.127 -11.013 680 HB2 SER 86 2HB SER 86 -11.743 -1.582 -12.560 681 HB3 SER 86 1HB SER 86 -12.603 -2.181 -11.139 682 HG SER 86 HG SER 86 -13.586 -1.699 -13.744 683 H LEU 87 H LEU 87 -10.913 1.096 -12.405 684 HA LEU 87 HA LEU 87 -9.265 0.900 -10.152 685 HB2 LEU 87 2HB LEU 87 -9.259 2.860 -12.438 686 HB3 LEU 87 1HB LEU 87 -8.023 2.849 -11.196 687 HG LEU 87 HG LEU 87 -8.625 0.527 -13.034 688 HD11 LEU 87 1HD1 LEU 87 -7.675 2.390 -14.280 689 HD12 LEU 87 2HD1 LEU 87 -6.501 1.089 -14.109 690 HD13 LEU 87 3HD1 LEU 87 -6.373 2.529 -13.101 691 HD21 LEU 87 1HD2 LEU 87 -7.724 -0.174 -10.906 692 HD22 LEU 87 2HD2 LEU 87 -6.423 1.009 -11.043 693 HD23 LEU 87 3HD2 LEU 87 -6.507 -0.346 -12.169 694 H GLU 88 H GLU 88 -11.506 3.463 -11.128 695 HA GLU 88 HA GLU 88 -10.865 5.271 -9.070 696 HB2 GLU 88 2HB GLU 88 -12.164 5.959 -11.002 697 HB3 GLU 88 1HB GLU 88 -13.468 4.870 -10.551 698 HG2 GLU 88 2HG GLU 88 -13.871 6.167 -8.533 699 HG3 GLU 88 1HG GLU 88 -12.542 7.246 -8.953 700 H GLN 89 H GLN 89 -13.163 2.611 -9.226 701 HA GLN 89 HA GLN 89 -14.342 3.070 -6.684 702 HB2 GLN 89 2HB GLN 89 -14.186 0.523 -8.314 703 HB3 GLN 89 1HB GLN 89 -15.241 0.782 -6.932 704 HG2 GLN 89 2HG GLN 89 -15.338 2.286 -9.541 705 HG3 GLN 89 1HG GLN 89 -16.457 1.025 -9.022 706 HE21 GLN 89 1HE2 GLN 89 -16.928 3.837 -9.720 707 HE22 GLN 89 2HE2 GLN 89 -17.703 4.541 -8.345 708 H LEU 90 H LEU 90 -11.603 1.199 -7.818 709 HA LEU 90 HA LEU 90 -11.079 -0.125 -5.365 710 HB2 LEU 90 2HB LEU 90 -9.269 0.488 -7.699 711 HB3 LEU 90 1HB LEU 90 -8.813 -0.521 -6.341 712 HG LEU 90 HG LEU 90 -11.030 -1.113 -8.304 713 HD11 LEU 90 1HD1 LEU 90 -8.315 -2.367 -7.945 714 HD12 LEU 90 2HD1 LEU 90 -8.821 -1.345 -9.291 715 HD13 LEU 90 3HD1 LEU 90 -9.572 -2.924 -9.051 716 HD21 LEU 90 1HD2 LEU 90 -11.101 -3.311 -7.190 717 HD22 LEU 90 2HD2 LEU 90 -11.564 -1.997 -6.111 718 HD23 LEU 90 3HD2 LEU 90 -9.959 -2.719 -5.983 719 H LEU 91 H LEU 91 -10.060 2.944 -6.748 720 HA LEU 91 HA LEU 91 -8.027 3.577 -4.933 721 HB2 LEU 91 2HB LEU 91 -9.922 5.363 -6.447 722 HB3 LEU 91 1HB LEU 91 -8.583 5.973 -5.495 723 HG LEU 91 HG LEU 91 -8.318 4.143 -7.882 724 HD11 LEU 91 1HD1 LEU 91 -9.106 6.356 -8.516 725 HD12 LEU 91 2HD1 LEU 91 -7.437 6.109 -9.025 726 HD13 LEU 91 3HD1 LEU 91 -7.790 7.096 -7.606 727 HD21 LEU 91 1HD2 LEU 91 -5.925 4.715 -7.713 728 HD22 LEU 91 2HD2 LEU 91 -6.506 3.832 -6.304 729 HD23 LEU 91 3HD2 LEU 91 -6.254 5.575 -6.210 730 H GLU 92 H GLU 92 -11.510 3.944 -4.679 731 HA GLU 92 HA GLU 92 -11.522 5.523 -2.332 732 HB2 GLU 92 2HB GLU 92 -13.473 5.152 -3.864 733 HB3 GLU 92 1HB GLU 92 -13.610 3.525 -3.218 734 HG2 GLU 92 2HG GLU 92 -15.218 4.896 -2.132 735 HG3 GLU 92 1HG GLU 92 -13.953 4.515 -0.965 736 H GLU 93 H GLU 93 -11.685 2.037 -2.883 737 HA GLU 93 HA GLU 93 -11.862 1.239 -0.169 738 HB2 GLU 93 2HB GLU 93 -12.401 -0.170 -2.187 739 HB3 GLU 93 1HB GLU 93 -10.677 -0.296 -2.494 740 HG2 GLU 93 2HG GLU 93 -11.302 -2.284 -1.414 741 HG3 GLU 93 1HG GLU 93 -10.467 -1.314 -0.201 742 H LEU 94 H LEU 94 -9.239 1.742 -2.413 743 HA LEU 94 HA LEU 94 -7.076 0.789 -0.930 744 HB2 LEU 94 2HB LEU 94 -7.048 1.280 -3.325 745 HB3 LEU 94 1HB LEU 94 -7.244 2.984 -2.990 746 HG LEU 94 HG LEU 94 -5.008 2.891 -1.816 747 HD11 LEU 94 1HD1 LEU 94 -3.532 1.050 -2.427 748 HD12 LEU 94 2HD1 LEU 94 -4.877 0.232 -3.222 749 HD13 LEU 94 3HD1 LEU 94 -4.905 0.484 -1.476 750 HD21 LEU 94 1HD2 LEU 94 -5.127 2.252 -4.759 751 HD22 LEU 94 2HD2 LEU 94 -3.769 3.000 -3.918 752 HD23 LEU 94 3HD2 LEU 94 -5.311 3.849 -4.033 753 H GLU 95 H GLU 95 -8.470 4.038 -1.205 754 HA GLU 95 HA GLU 95 -6.585 5.338 0.428 755 HB2 GLU 95 2HB GLU 95 -8.089 6.452 -1.199 756 HB3 GLU 95 1HB GLU 95 -9.436 6.154 -0.111 757 HG2 GLU 95 2HG GLU 95 -8.457 7.571 1.563 758 HG3 GLU 95 1HG GLU 95 -7.003 7.778 0.587 759 H GLN 96 H GLN 96 -9.765 3.926 1.170 760 HA GLN 96 HA GLN 96 -9.832 4.701 3.883 761 HB2 GLN 96 2HB GLN 96 -11.095 2.298 2.551 762 HB3 GLN 96 1HB GLN 96 -11.471 2.859 4.172 763 HG2 GLN 96 2HG GLN 96 -12.234 5.005 3.192 764 HG3 GLN 96 1HG GLN 96 -11.975 4.317 1.590 765 HE21 GLN 96 1HE2 GLN 96 -14.430 5.269 2.807 766 HE22 GLN 96 2HE2 GLN 96 -15.527 3.930 2.800 767 H ALA 97 H ALA 97 -8.447 1.948 2.229 768 HA ALA 97 HA ALA 97 -7.762 0.409 4.473 769 HB1 ALA 97 1HB ALA 97 -6.410 0.543 1.784 770 HB2 ALA 97 2HB ALA 97 -7.764 -0.500 2.213 771 HB3 ALA 97 3HB ALA 97 -6.193 -0.733 2.980 772 H LEU 98 H LEU 98 -6.129 3.072 2.855 773 HA LEU 98 HA LEU 98 -3.607 2.820 4.077 774 HB2 LEU 98 2HB LEU 98 -5.019 5.295 3.086 775 HB3 LEU 98 1HB LEU 98 -3.327 5.228 3.531 776 HG LEU 98 HG LEU 98 -4.601 3.699 1.262 777 HD11 LEU 98 1HD1 LEU 98 -2.772 6.095 1.245 778 HD12 LEU 98 2HD1 LEU 98 -4.485 6.093 0.826 779 HD13 LEU 98 3HD1 LEU 98 -3.331 5.210 -0.174 780 HD21 LEU 98 1HD2 LEU 98 -2.274 3.167 0.653 781 HD22 LEU 98 2HD2 LEU 98 -2.739 2.475 2.204 782 HD23 LEU 98 3HD2 LEU 98 -1.727 3.919 2.151 783 H GLN 99 H GLN 99 -6.587 4.272 5.183 784 HA GLN 99 HA GLN 99 -5.515 5.718 7.375 785 HB2 GLN 99 2HB GLN 99 -8.278 4.499 7.258 786 HB3 GLN 99 1HB GLN 99 -7.772 5.930 8.144 787 HG2 GLN 99 2HG GLN 99 -8.025 5.644 5.158 788 HG3 GLN 99 1HG GLN 99 -9.059 6.585 6.229 789 HE21 GLN 99 1HE2 GLN 99 -7.474 7.386 3.914 790 HE22 GLN 99 2HE2 GLN 99 -6.414 8.637 4.470 791 H LYS 100 H LYS 100 -6.763 2.480 6.960 792 HA LYS 100 HA LYS 100 -6.542 1.626 9.650 793 HB2 LYS 100 2HB LYS 100 -8.009 0.487 8.113 794 HB3 LYS 100 1HB LYS 100 -6.679 0.142 7.023 795 HG2 LYS 100 2HG LYS 100 -5.716 -1.377 8.679 796 HG3 LYS 100 1HG LYS 100 -7.057 -1.024 9.776 797 HD2 LYS 100 2HD LYS 100 -8.644 -1.941 8.205 798 HD3 LYS 100 1HD LYS 100 -7.375 -2.171 7.003 799 HE2 LYS 100 2HE LYS 100 -6.291 -3.809 8.435 800 HE3 LYS 100 1HE LYS 100 -7.503 -3.540 9.689 801 HZ1 LYS 100 1HZ LYS 100 -9.190 -4.404 8.251 802 HZ2 LYS 100 2HZ LYS 100 -7.934 -5.537 8.324 803 HZ3 LYS 100 3HZ LYS 100 -8.105 -4.549 6.965 804 H ILE 101 H ILE 101 -4.428 1.429 6.825 805 HA ILE 101 HA ILE 101 -2.429 -0.194 7.939 806 HB ILE 101 HB ILE 101 -2.224 1.884 5.755 807 HG12 ILE 101 2HG1 ILE 101 -2.438 -1.132 5.671 808 HG13 ILE 101 1HG1 ILE 101 -3.721 0.004 5.270 809 HG21 ILE 101 1HG2 ILE 101 -0.209 -0.221 6.553 810 HG22 ILE 101 2HG2 ILE 101 -0.017 1.523 6.725 811 HG23 ILE 101 3HG2 ILE 101 -0.110 0.802 5.118 812 HD11 ILE 101 1HD1 ILE 101 -2.689 -0.905 3.278 813 HD12 ILE 101 2HD1 ILE 101 -1.116 -0.305 3.804 814 HD13 ILE 101 3HD1 ILE 101 -2.403 0.829 3.398 815 H ARG 102 H ARG 102 -2.854 3.322 8.014 816 HA ARG 102 HA ARG 102 -0.345 3.925 9.109 817 HB2 ARG 102 2HB ARG 102 -2.972 5.394 9.325 818 HB3 ARG 102 1HB ARG 102 -1.465 6.026 9.972 819 HG2 ARG 102 2HG ARG 102 -0.510 5.811 7.647 820 HG3 ARG 102 1HG ARG 102 -2.152 5.481 7.095 821 HD2 ARG 102 2HD ARG 102 -1.304 7.956 8.597 822 HD3 ARG 102 1HD ARG 102 -1.464 7.857 6.847 823 HE ARG 102 HE ARG 102 -3.845 7.465 7.178 824 HH11 ARG 102 1HH1 ARG 102 -2.067 8.745 9.919 825 HH12 ARG 102 2HH1 ARG 102 -3.455 9.480 10.637 826 HH21 ARG 102 1HH2 ARG 102 -5.685 8.457 8.131 827 HH22 ARG 102 2HH2 ARG 102 -5.512 9.310 9.627 828 H GLU 103 H GLU 103 -3.328 2.884 10.639 829 HA GLU 103 HA GLU 103 -2.436 3.275 13.308 830 HB2 GLU 103 2HB GLU 103 -4.589 1.550 12.098 831 HB3 GLU 103 1HB GLU 103 -4.263 1.568 13.825 832 HG2 GLU 103 2HG GLU 103 -5.020 3.969 12.181 833 HG3 GLU 103 1HG GLU 103 -6.122 3.033 13.193 834 H LEU 104 H LEU 104 -2.314 0.586 11.045 835 HA LEU 104 HA LEU 104 -1.219 -1.306 12.856 836 HB2 LEU 104 2HB LEU 104 -1.036 -1.212 9.844 837 HB3 LEU 104 1HB LEU 104 -0.658 -2.600 10.841 838 HG LEU 104 HG LEU 104 -3.390 -1.346 10.552 839 HD11 LEU 104 1HD1 LEU 104 -3.957 -3.392 9.345 840 HD12 LEU 104 2HD1 LEU 104 -2.282 -3.929 9.465 841 HD13 LEU 104 3HD1 LEU 104 -2.681 -2.490 8.527 842 HD21 LEU 104 1HD2 LEU 104 -2.498 -3.823 12.029 843 HD22 LEU 104 2HD2 LEU 104 -4.170 -3.324 11.784 844 HD23 LEU 104 3HD2 LEU 104 -3.088 -2.329 12.756 845 H ALA 105 H ALA 105 0.146 1.166 10.808 846 HA ALA 105 HA ALA 105 2.856 0.301 11.070 847 HB1 ALA 105 1HB ALA 105 1.774 3.008 10.294 848 HB2 ALA 105 2HB ALA 105 2.110 1.678 9.186 849 HB3 ALA 105 3HB ALA 105 3.431 2.447 10.067 850 H GLU 106 H GLU 106 0.715 2.353 12.934 851 HA GLU 106 HA GLU 106 2.822 3.515 14.532 852 HB2 GLU 106 2HB GLU 106 -0.182 3.503 14.715 853 HB3 GLU 106 1HB GLU 106 0.823 4.231 15.959 854 HG2 GLU 106 2HG GLU 106 1.121 5.017 13.094 855 HG3 GLU 106 1HG GLU 106 -0.145 5.715 14.103 856 H LYS 107 H LYS 107 0.754 0.756 14.640 857 HA LYS 107 HA LYS 107 0.568 -1.032 16.007 858 HB2 LYS 107 2HB LYS 107 3.403 -0.335 16.768 859 HB3 LYS 107 1HB LYS 107 2.632 -1.913 16.916 860 HG2 LYS 107 2HG LYS 107 2.301 -1.923 14.467 861 HG3 LYS 107 1HG LYS 107 3.219 -0.423 14.377 862 HD2 LYS 107 2HD LYS 107 5.172 -1.542 15.261 863 HD3 LYS 107 1HD LYS 107 4.250 -3.039 15.455 864 HE2 LYS 107 2HE LYS 107 4.968 -1.631 12.892 865 HE3 LYS 107 1HE LYS 107 5.481 -3.233 13.424 866 HZ1 LYS 107 1HZ LYS 107 2.714 -2.418 12.698 867 HZ2 LYS 107 2HZ LYS 107 3.132 -3.936 13.320 868 HZ3 LYS 107 3HZ LYS 107 3.726 -3.446 11.806 869 H LYS 108 H LYS 108 -0.180 1.578 17.115 870 HA LYS 108 HA LYS 108 -0.001 0.860 19.958 871 HB2 LYS 108 2HB LYS 108 -0.152 3.608 18.712 872 HB3 LYS 108 1HB LYS 108 -0.423 3.306 20.420 873 HG2 LYS 108 2HG LYS 108 1.868 2.406 20.591 874 HG3 LYS 108 1HG LYS 108 2.125 2.812 18.891 875 HD2 LYS 108 2HD LYS 108 1.707 5.160 19.378 876 HD3 LYS 108 1HD LYS 108 1.403 4.770 21.070 877 HE2 LYS 108 2HE LYS 108 3.707 3.961 21.281 878 HE3 LYS 108 1HE LYS 108 4.000 4.369 19.592 879 HZ1 LYS 108 1HZ LYS 108 4.820 6.096 21.050 880 HZ2 LYS 108 2HZ LYS 108 3.296 6.285 21.745 881 HZ3 LYS 108 3HZ LYS 108 3.539 6.690 20.124 882 H ASN 109 H ASN 109 -1.841 -0.359 19.958 883 HA ASN 109 HA ASN 109 -4.325 1.097 19.373 884 HB2 ASN 109 2HB ASN 109 -3.798 -1.870 19.070 885 HB3 ASN 109 1HB ASN 109 -5.357 -1.091 18.832 886 HD21 ASN 109 1HD2 ASN 109 -5.679 0.193 17.000 887 HD22 ASN 109 2HD2 ASN 109 -4.616 0.114 15.642 Start of MODEL 18 1 H1 SER 1 1HT SER 1 11.238 10.336 19.149 2 H2 SER 1 2HT SER 1 9.678 10.984 19.076 3 H3 SER 1 3HT SER 1 10.285 10.099 17.767 4 HA SER 1 HA SER 1 9.711 9.054 20.469 5 HB2 SER 1 2HB SER 1 8.303 8.557 17.836 6 HB3 SER 1 1HB SER 1 7.848 7.891 19.401 7 HG SER 1 HG SER 1 6.599 9.606 19.391 8 H GLU 2 H GLU 2 9.435 6.511 20.109 9 HA GLU 2 HA GLU 2 11.972 5.620 18.966 10 HB2 GLU 2 2HB GLU 2 9.957 4.183 20.701 11 HB3 GLU 2 1HB GLU 2 11.479 3.496 20.153 12 HG2 GLU 2 2HG GLU 2 12.699 5.215 21.383 13 HG3 GLU 2 1HG GLU 2 11.171 5.910 21.922 14 H PHE 3 H PHE 3 9.209 6.198 17.613 15 HA PHE 3 HA PHE 3 9.128 3.710 16.040 16 HB2 PHE 3 2HB PHE 3 6.858 5.618 16.654 17 HB3 PHE 3 1HB PHE 3 6.742 4.219 15.593 18 HD1 PHE 3 1HD PHE 3 6.780 5.393 19.021 19 HD2 PHE 3 2HD PHE 3 6.899 1.943 16.532 20 HE1 PHE 3 1HE PHE 3 6.200 3.985 20.953 21 HE2 PHE 3 2HE PHE 3 6.320 0.530 18.457 22 HZ PHE 3 HZ PHE 3 5.968 1.549 20.673 23 H GLU 4 H GLU 4 10.723 6.194 15.699 24 HA GLU 4 HA GLU 4 9.677 7.857 13.707 25 HB2 GLU 4 2HB GLU 4 12.552 7.138 14.268 26 HB3 GLU 4 1HB GLU 4 12.025 8.472 13.258 27 HG2 GLU 4 2HG GLU 4 11.486 8.165 16.204 28 HG3 GLU 4 1HG GLU 4 12.682 9.232 15.473 29 H LYS 5 H LYS 5 11.631 4.906 13.442 30 HA LYS 5 HA LYS 5 11.936 4.959 10.641 31 HB2 LYS 5 2HB LYS 5 11.855 2.554 12.470 32 HB3 LYS 5 1HB LYS 5 12.454 2.554 10.819 33 HG2 LYS 5 2HG LYS 5 14.200 4.177 11.510 34 HG3 LYS 5 1HG LYS 5 13.641 4.009 13.172 35 HD2 LYS 5 2HD LYS 5 14.729 1.797 11.426 36 HD3 LYS 5 1HD LYS 5 15.580 2.585 12.752 37 HE2 LYS 5 2HE LYS 5 13.038 0.970 13.007 38 HE3 LYS 5 1HE LYS 5 14.657 0.401 13.400 39 HZ1 LYS 5 1HZ LYS 5 14.804 2.072 15.122 40 HZ2 LYS 5 2HZ LYS 5 13.439 1.113 15.366 41 HZ3 LYS 5 3HZ LYS 5 13.273 2.667 14.733 42 H LEU 6 H LEU 6 9.460 3.542 12.703 43 HA LEU 6 HA LEU 6 8.056 2.183 10.668 44 HB2 LEU 6 2HB LEU 6 7.821 1.747 13.104 45 HB3 LEU 6 1HB LEU 6 6.997 3.283 13.274 46 HG LEU 6 HG LEU 6 5.180 2.451 11.822 47 HD11 LEU 6 1HD1 LEU 6 5.065 0.057 11.299 48 HD12 LEU 6 2HD1 LEU 6 6.699 -0.152 11.931 49 HD13 LEU 6 3HD1 LEU 6 6.427 0.841 10.500 50 HD21 LEU 6 1HD2 LEU 6 5.837 0.745 14.218 51 HD22 LEU 6 2HD2 LEU 6 4.254 0.842 13.448 52 HD23 LEU 6 3HD2 LEU 6 4.949 2.268 14.219 53 H ARG 7 H ARG 7 7.757 5.404 12.067 54 HA ARG 7 HA ARG 7 5.484 6.233 10.634 55 HB2 ARG 7 2HB ARG 7 7.744 7.694 11.956 56 HB3 ARG 7 1HB ARG 7 6.534 8.567 11.032 57 HG2 ARG 7 2HG ARG 7 5.942 6.778 13.376 58 HG3 ARG 7 1HG ARG 7 6.090 8.536 13.449 59 HD2 ARG 7 2HD ARG 7 4.277 8.625 11.688 60 HD3 ARG 7 1HD ARG 7 4.026 6.906 11.992 61 HE ARG 7 HE ARG 7 3.936 8.137 14.452 62 HH11 ARG 7 1HH1 ARG 7 2.129 8.301 11.445 63 HH12 ARG 7 2HH1 ARG 7 0.655 8.789 12.204 64 HH21 ARG 7 1HH2 ARG 7 1.984 8.814 15.456 65 HH22 ARG 7 2HH2 ARG 7 0.565 9.079 14.504 66 H GLN 8 H GLN 8 8.948 6.551 9.941 67 HA GLN 8 HA GLN 8 8.684 8.138 7.643 68 HB2 GLN 8 2HB GLN 8 10.795 7.822 8.880 69 HB3 GLN 8 1HB GLN 8 10.865 6.158 8.319 70 HG2 GLN 8 2HG GLN 8 12.341 7.479 6.990 71 HG3 GLN 8 1HG GLN 8 10.969 6.998 5.992 72 HE21 GLN 8 1HE2 GLN 8 12.573 9.611 7.578 73 HE22 GLN 8 2HE2 GLN 8 11.704 10.890 6.814 74 H THR 9 H THR 9 8.996 4.598 7.969 75 HA THR 9 HA THR 9 8.843 4.153 5.169 76 HB THR 9 HB THR 9 8.382 2.202 7.434 77 HG1 THR 9 1HG THR 9 10.610 3.381 6.360 78 HG21 THR 9 1HG2 THR 9 7.461 1.411 5.294 79 HG22 THR 9 2HG2 THR 9 8.887 0.481 5.758 80 HG23 THR 9 3HG2 THR 9 9.011 1.724 4.513 81 H GLY 10 H GLY 10 6.448 3.963 7.790 82 HA2 GLY 10 2HA GLY 10 4.326 2.931 6.271 83 HA3 GLY 10 1HA GLY 10 4.159 3.891 7.735 84 H ASP 11 H ASP 11 5.249 6.281 6.946 85 HA ASP 11 HA ASP 11 3.095 7.435 5.509 86 HB2 ASP 11 2HB ASP 11 4.274 8.697 7.207 87 HB3 ASP 11 1HB ASP 11 5.777 8.576 6.299 88 H GLU 12 H GLU 12 6.408 6.586 4.647 89 HA GLU 12 HA GLU 12 6.488 7.740 2.088 90 HB2 GLU 12 2HB GLU 12 8.436 6.800 3.376 91 HB3 GLU 12 1HB GLU 12 7.853 5.192 2.986 92 HG2 GLU 12 2HG GLU 12 9.639 5.757 1.507 93 HG3 GLU 12 1HG GLU 12 8.135 5.715 0.590 94 H LEU 13 H LEU 13 5.351 4.617 3.249 95 HA LEU 13 HA LEU 13 4.769 3.385 0.801 96 HB2 LEU 13 2HB LEU 13 4.808 2.277 3.031 97 HB3 LEU 13 1HB LEU 13 3.319 3.102 3.437 98 HG LEU 13 HG LEU 13 2.214 1.889 1.542 99 HD11 LEU 13 1HD1 LEU 13 3.358 -0.140 0.710 100 HD12 LEU 13 2HD1 LEU 13 4.835 0.408 1.500 101 HD13 LEU 13 3HD1 LEU 13 4.129 1.359 0.193 102 HD21 LEU 13 1HD2 LEU 13 3.464 0.191 3.699 103 HD22 LEU 13 2HD2 LEU 13 2.039 -0.231 2.749 104 HD23 LEU 13 3HD2 LEU 13 1.989 1.143 3.853 105 H VAL 14 H VAL 14 2.796 5.418 2.919 106 HA VAL 14 HA VAL 14 0.418 5.366 1.422 107 HB VAL 14 HB VAL 14 1.454 7.604 3.184 108 HG11 VAL 14 1HG1 VAL 14 -0.375 8.359 1.795 109 HG12 VAL 14 2HG1 VAL 14 -0.921 8.192 3.463 110 HG13 VAL 14 3HG1 VAL 14 -1.349 6.969 2.268 111 HG21 VAL 14 1HG2 VAL 14 1.391 5.503 4.398 112 HG22 VAL 14 2HG2 VAL 14 -0.270 5.225 3.878 113 HG23 VAL 14 3HG2 VAL 14 0.103 6.568 4.958 114 H GLN 15 H GLN 15 3.185 7.570 1.345 115 HA GLN 15 HA GLN 15 2.147 9.367 -0.547 116 HB2 GLN 15 2HB GLN 15 4.985 8.672 0.184 117 HB3 GLN 15 1HB GLN 15 4.574 9.945 -0.955 118 HG2 GLN 15 2HG GLN 15 3.768 9.827 1.943 119 HG3 GLN 15 1HG GLN 15 5.021 10.853 1.246 120 HE21 GLN 15 1HE2 GLN 15 4.407 12.577 -0.095 121 HE22 GLN 15 2HE2 GLN 15 2.806 13.227 -0.056 122 H ALA 16 H ALA 16 4.173 6.482 -0.963 123 HA ALA 16 HA ALA 16 4.611 6.762 -3.718 124 HB1 ALA 16 1HB ALA 16 5.237 4.414 -3.702 125 HB2 ALA 16 2HB ALA 16 4.486 4.214 -2.118 126 HB3 ALA 16 3HB ALA 16 5.901 5.251 -2.299 127 H PHE 17 H PHE 17 2.052 4.998 -1.990 128 HA PHE 17 HA PHE 17 0.819 3.982 -4.305 129 HB2 PHE 17 2HB PHE 17 -0.062 4.340 -1.483 130 HB3 PHE 17 1HB PHE 17 -1.280 3.984 -2.706 131 HD1 PHE 17 1HD PHE 17 1.244 2.627 -0.581 132 HD2 PHE 17 2HD PHE 17 -0.933 1.940 -4.167 133 HE1 PHE 17 1HE PHE 17 1.814 0.238 -0.471 134 HE2 PHE 17 2HE PHE 17 -0.369 -0.447 -4.063 135 HZ PHE 17 HZ PHE 17 1.008 -1.302 -2.213 136 H GLN 18 H GLN 18 0.393 7.027 -2.602 137 HA GLN 18 HA GLN 18 -1.827 7.895 -4.126 138 HB2 GLN 18 2HB GLN 18 0.284 9.430 -2.617 139 HB3 GLN 18 1HB GLN 18 -1.117 10.178 -3.371 140 HG2 GLN 18 2HG GLN 18 -2.599 8.871 -1.963 141 HG3 GLN 18 1HG GLN 18 -1.209 8.075 -1.226 142 HE21 GLN 18 1HE2 GLN 18 0.088 9.221 0.157 143 HE22 GLN 18 2HE2 GLN 18 -0.410 10.704 0.886 144 H ARG 19 H ARG 19 1.658 8.110 -4.628 145 HA ARG 19 HA ARG 19 1.612 9.815 -6.878 146 HB2 ARG 19 2HB ARG 19 3.529 7.535 -6.336 147 HB3 ARG 19 1HB ARG 19 3.800 8.874 -7.440 148 HG2 ARG 19 2HG ARG 19 3.851 10.425 -5.592 149 HG3 ARG 19 1HG ARG 19 3.476 9.122 -4.462 150 HD2 ARG 19 2HD ARG 19 5.574 7.982 -5.279 151 HD3 ARG 19 1HD ARG 19 5.964 9.489 -6.108 152 HE ARG 19 HE ARG 19 5.692 10.475 -3.754 153 HH11 ARG 19 1HH1 ARG 19 7.116 7.334 -4.524 154 HH12 ARG 19 2HH1 ARG 19 8.048 7.284 -3.073 155 HH21 ARG 19 1HH2 ARG 19 6.927 10.386 -1.848 156 HH22 ARG 19 2HH2 ARG 19 7.922 9.007 -1.514 157 H LEU 20 H LEU 20 1.132 6.391 -6.450 158 HA LEU 20 HA LEU 20 1.139 5.544 -9.115 159 HB2 LEU 20 2HB LEU 20 1.153 4.067 -7.110 160 HB3 LEU 20 1HB LEU 20 -0.514 4.501 -6.811 161 HG LEU 20 HG LEU 20 -1.058 3.494 -9.070 162 HD11 LEU 20 1HD1 LEU 20 1.190 3.517 -9.996 163 HD12 LEU 20 2HD1 LEU 20 0.533 1.881 -9.964 164 HD13 LEU 20 3HD1 LEU 20 1.721 2.377 -8.759 165 HD21 LEU 20 1HD2 LEU 20 -1.052 1.209 -8.196 166 HD22 LEU 20 2HD2 LEU 20 -1.558 2.369 -6.967 167 HD23 LEU 20 3HD2 LEU 20 0.073 1.697 -6.928 168 H ARG 21 H ARG 21 -1.415 6.881 -7.072 169 HA ARG 21 HA ARG 21 -3.596 6.494 -8.839 170 HB2 ARG 21 2HB ARG 21 -3.354 8.794 -6.957 171 HB3 ARG 21 1HB ARG 21 -4.800 7.947 -7.451 172 HG2 ARG 21 2HG ARG 21 -4.218 6.049 -6.133 173 HG3 ARG 21 1HG ARG 21 -2.644 6.757 -5.742 174 HD2 ARG 21 2HD ARG 21 -5.365 7.707 -4.947 175 HD3 ARG 21 1HD ARG 21 -4.043 7.196 -3.890 176 HE ARG 21 HE ARG 21 -3.177 9.384 -5.448 177 HH11 ARG 21 1HH1 ARG 21 -5.342 8.710 -2.796 178 HH12 ARG 21 2HH1 ARG 21 -5.325 10.324 -2.185 179 HH21 ARG 21 1HH2 ARG 21 -3.102 11.492 -4.683 180 HH22 ARG 21 2HH2 ARG 21 -4.013 11.944 -3.278 181 H GLU 22 H GLU 22 -1.506 9.285 -8.183 182 HA GLU 22 HA GLU 22 -2.728 11.019 -10.028 183 HB2 GLU 22 2HB GLU 22 -0.112 11.052 -8.563 184 HB3 GLU 22 1HB GLU 22 -0.408 12.230 -9.830 185 HG2 GLU 22 2HG GLU 22 -0.994 13.316 -7.838 186 HG3 GLU 22 1HG GLU 22 -2.525 12.852 -8.565 187 H ILE 23 H ILE 23 0.085 8.904 -10.295 188 HA ILE 23 HA ILE 23 0.748 9.666 -12.937 189 HB ILE 23 HB ILE 23 1.429 7.228 -11.295 190 HG12 ILE 23 2HG1 ILE 23 3.071 9.570 -12.281 191 HG13 ILE 23 1HG1 ILE 23 2.427 9.387 -10.654 192 HG21 ILE 23 1HG2 ILE 23 2.423 7.884 -14.062 193 HG22 ILE 23 2HG2 ILE 23 1.380 6.530 -13.634 194 HG23 ILE 23 3HG2 ILE 23 3.037 6.594 -13.029 195 HD11 ILE 23 1HD1 ILE 23 4.403 7.523 -11.937 196 HD12 ILE 23 2HD1 ILE 23 3.838 7.486 -10.266 197 HD13 ILE 23 3HD1 ILE 23 4.814 8.838 -10.839 198 H PHE 24 H PHE 24 -1.325 7.150 -11.601 199 HA PHE 24 HA PHE 24 -1.981 5.822 -13.977 200 HB2 PHE 24 2HB PHE 24 -2.635 4.736 -12.004 201 HB3 PHE 24 1HB PHE 24 -3.369 6.185 -11.335 202 HD1 PHE 24 1HD PHE 24 -3.788 3.641 -14.013 203 HD2 PHE 24 2HD PHE 24 -5.649 6.526 -11.502 204 HE1 PHE 24 1HE PHE 24 -5.999 2.875 -14.768 205 HE2 PHE 24 2HE PHE 24 -7.859 5.765 -12.254 206 HZ PHE 24 HZ PHE 24 -8.047 3.948 -13.876 207 H ASP 25 H ASP 25 -3.458 8.645 -12.423 208 HA ASP 25 HA ASP 25 -5.500 8.965 -14.384 209 HB2 ASP 25 2HB ASP 25 -5.701 9.921 -12.129 210 HB3 ASP 25 1HB ASP 25 -4.346 10.995 -12.460 211 H LYS 26 H LYS 26 -2.188 9.936 -14.158 212 HA LYS 26 HA LYS 26 -2.279 11.931 -16.206 213 HB2 LYS 26 2HB LYS 26 -0.615 11.924 -14.371 214 HB3 LYS 26 1HB LYS 26 0.050 10.426 -14.994 215 HG2 LYS 26 2HG LYS 26 0.678 11.586 -17.056 216 HG3 LYS 26 1HG LYS 26 0.053 13.090 -16.376 217 HD2 LYS 26 2HD LYS 26 1.655 12.874 -14.507 218 HD3 LYS 26 1HD LYS 26 2.314 11.424 -15.263 219 HE2 LYS 26 2HE LYS 26 2.298 14.195 -16.463 220 HE3 LYS 26 1HE LYS 26 3.688 13.404 -15.723 221 HZ1 LYS 26 1HZ LYS 26 3.613 11.713 -17.455 222 HZ2 LYS 26 2HZ LYS 26 3.715 13.255 -18.143 223 HZ3 LYS 26 3HZ LYS 26 2.241 12.441 -18.130 224 H GLY 27 H GLY 27 -2.156 8.511 -16.116 225 HA2 GLY 27 2HA GLY 27 -2.106 6.951 -17.810 226 HA3 GLY 27 1HA GLY 27 -2.203 8.285 -18.952 227 H ASP 28 H ASP 28 0.305 8.084 -16.561 228 HA ASP 28 HA ASP 28 2.265 8.010 -18.722 229 HB2 ASP 28 2HB ASP 28 2.240 9.732 -16.794 230 HB3 ASP 28 1HB ASP 28 2.908 8.428 -15.821 231 H ASP 29 H ASP 29 2.381 5.891 -19.297 232 HA ASP 29 HA ASP 29 2.442 3.712 -17.490 233 HB2 ASP 29 2HB ASP 29 3.435 3.830 -20.345 234 HB3 ASP 29 1HB ASP 29 3.146 2.362 -19.422 235 H ASP 30 H ASP 30 4.912 5.789 -18.767 236 HA ASP 30 HA ASP 30 7.133 4.095 -18.267 237 HB2 ASP 30 2HB ASP 30 7.225 6.016 -19.808 238 HB3 ASP 30 1HB ASP 30 7.040 7.113 -18.445 239 H SER 31 H SER 31 5.791 6.836 -16.467 240 HA SER 31 HA SER 31 7.531 6.570 -14.251 241 HB2 SER 31 2HB SER 31 4.809 7.884 -14.360 242 HB3 SER 31 1HB SER 31 6.058 8.163 -13.145 243 HG SER 31 HG SER 31 6.166 8.758 -15.923 244 H LEU 32 H LEU 32 4.521 5.081 -15.113 245 HA LEU 32 HA LEU 32 3.576 4.269 -12.614 246 HB2 LEU 32 2HB LEU 32 2.400 4.170 -14.848 247 HB3 LEU 32 1HB LEU 32 3.326 2.726 -15.192 248 HG LEU 32 HG LEU 32 2.276 1.675 -13.161 249 HD11 LEU 32 1HD1 LEU 32 0.490 4.096 -13.325 250 HD12 LEU 32 2HD1 LEU 32 1.625 3.734 -12.026 251 HD13 LEU 32 3HD1 LEU 32 0.234 2.685 -12.299 252 HD21 LEU 32 1HD2 LEU 32 0.176 1.191 -14.285 253 HD22 LEU 32 2HD2 LEU 32 1.506 1.214 -15.444 254 HD23 LEU 32 3HD2 LEU 32 0.401 2.585 -15.341 255 H GLU 33 H GLU 33 5.902 2.741 -14.798 256 HA GLU 33 HA GLU 33 6.196 0.299 -13.431 257 HB2 GLU 33 2HB GLU 33 8.054 1.841 -15.229 258 HB3 GLU 33 1HB GLU 33 8.473 0.268 -14.569 259 HG2 GLU 33 2HG GLU 33 6.050 0.808 -16.264 260 HG3 GLU 33 1HG GLU 33 7.588 0.203 -16.878 261 H GLN 34 H GLN 34 7.787 3.414 -13.018 262 HA GLN 34 HA GLN 34 9.845 2.572 -11.287 263 HB2 GLN 34 2HB GLN 34 8.525 5.271 -11.575 264 HB3 GLN 34 1HB GLN 34 9.990 4.975 -10.649 265 HG2 GLN 34 2HG GLN 34 9.683 4.463 -13.597 266 HG3 GLN 34 1HG GLN 34 10.419 5.898 -12.887 267 HE21 GLN 34 1HE2 GLN 34 11.545 3.844 -14.643 268 HE22 GLN 34 2HE2 GLN 34 12.926 3.221 -13.811 269 H VAL 35 H VAL 35 6.576 3.730 -10.651 270 HA VAL 35 HA VAL 35 6.795 3.923 -7.844 271 HB VAL 35 HB VAL 35 4.310 3.297 -9.462 272 HG11 VAL 35 1HG1 VAL 35 3.977 2.847 -7.108 273 HG12 VAL 35 2HG1 VAL 35 3.116 4.318 -7.559 274 HG13 VAL 35 3HG1 VAL 35 4.642 4.424 -6.683 275 HG21 VAL 35 1HG2 VAL 35 5.471 5.944 -8.616 276 HG22 VAL 35 2HG2 VAL 35 3.890 5.712 -9.362 277 HG23 VAL 35 3HG2 VAL 35 5.356 5.325 -10.264 278 H LEU 36 H LEU 36 6.061 1.224 -9.975 279 HA LEU 36 HA LEU 36 5.143 -0.592 -8.040 280 HB2 LEU 36 2HB LEU 36 6.711 -1.197 -10.549 281 HB3 LEU 36 1HB LEU 36 5.744 -2.342 -9.642 282 HG LEU 36 HG LEU 36 4.681 0.057 -11.135 283 HD11 LEU 36 1HD1 LEU 36 5.479 -1.682 -12.627 284 HD12 LEU 36 2HD1 LEU 36 3.718 -1.598 -12.649 285 HD13 LEU 36 3HD1 LEU 36 4.528 -2.885 -11.757 286 HD21 LEU 36 1HD2 LEU 36 2.474 -0.901 -10.660 287 HD22 LEU 36 2HD2 LEU 36 3.321 -0.451 -9.181 288 HD23 LEU 36 3HD2 LEU 36 3.232 -2.145 -9.665 289 H GLU 37 H GLU 37 8.378 0.258 -9.113 290 HA GLU 37 HA GLU 37 9.749 -1.711 -7.594 291 HB2 GLU 37 2HB GLU 37 10.732 -0.533 -9.537 292 HB3 GLU 37 1HB GLU 37 10.735 0.959 -8.613 293 HG2 GLU 37 2HG GLU 37 12.944 -0.010 -8.646 294 HG3 GLU 37 1HG GLU 37 12.292 -0.050 -7.010 295 H GLU 38 H GLU 38 8.722 1.605 -6.990 296 HA GLU 38 HA GLU 38 10.049 1.951 -4.514 297 HB2 GLU 38 2HB GLU 38 7.489 3.251 -5.471 298 HB3 GLU 38 1HB GLU 38 8.501 3.834 -4.165 299 HG2 GLU 38 2HG GLU 38 10.344 4.068 -5.865 300 HG3 GLU 38 1HG GLU 38 9.120 3.765 -7.095 301 H ILE 39 H ILE 39 6.798 0.917 -5.371 302 HA ILE 39 HA ILE 39 5.768 0.548 -2.798 303 HB ILE 39 HB ILE 39 5.113 -0.939 -5.358 304 HG12 ILE 39 2HG1 ILE 39 4.737 1.458 -5.552 305 HG13 ILE 39 1HG1 ILE 39 3.198 0.609 -5.497 306 HG21 ILE 39 1HG2 ILE 39 4.352 -2.215 -3.440 307 HG22 ILE 39 2HG2 ILE 39 2.981 -1.521 -4.306 308 HG23 ILE 39 3HG2 ILE 39 3.532 -0.792 -2.798 309 HD11 ILE 39 1HD1 ILE 39 2.967 1.222 -3.135 310 HD12 ILE 39 2HD1 ILE 39 3.111 2.632 -4.184 311 HD13 ILE 39 3HD1 ILE 39 4.493 2.102 -3.228 312 H GLU 40 H GLU 40 7.709 -1.536 -4.853 313 HA GLU 40 HA GLU 40 7.405 -3.953 -3.482 314 HB2 GLU 40 2HB GLU 40 8.440 -3.719 -5.717 315 HB3 GLU 40 1HB GLU 40 9.840 -2.961 -4.975 316 HG2 GLU 40 2HG GLU 40 10.385 -5.229 -5.426 317 HG3 GLU 40 1HG GLU 40 10.205 -5.055 -3.682 318 H GLU 41 H GLU 41 9.854 -1.391 -3.059 319 HA GLU 41 HA GLU 41 11.229 -2.778 -0.990 320 HB2 GLU 41 2HB GLU 41 12.313 -0.993 -2.299 321 HB3 GLU 41 1HB GLU 41 11.233 0.187 -1.568 322 HG2 GLU 41 2HG GLU 41 12.137 -0.521 0.668 323 HG3 GLU 41 1HG GLU 41 13.351 -1.453 -0.200 324 H LEU 42 H LEU 42 8.822 -0.216 -1.009 325 HA LEU 42 HA LEU 42 8.934 0.324 1.730 326 HB2 LEU 42 2HB LEU 42 6.627 0.740 -0.149 327 HB3 LEU 42 1HB LEU 42 6.837 1.505 1.417 328 HG LEU 42 HG LEU 42 8.599 1.890 -0.994 329 HD11 LEU 42 1HD1 LEU 42 6.416 2.975 -1.164 330 HD12 LEU 42 2HD1 LEU 42 7.733 4.139 -1.029 331 HD13 LEU 42 3HD1 LEU 42 6.716 3.795 0.369 332 HD21 LEU 42 1HD2 LEU 42 8.758 3.122 1.755 333 HD22 LEU 42 2HD2 LEU 42 9.708 3.624 0.358 334 HD23 LEU 42 3HD2 LEU 42 9.921 2.009 1.034 335 H ILE 43 H ILE 43 6.876 -1.932 -0.075 336 HA ILE 43 HA ILE 43 5.328 -2.656 2.187 337 HB ILE 43 HB ILE 43 5.897 -4.238 -0.332 338 HG12 ILE 43 2HG1 ILE 43 3.510 -2.595 0.546 339 HG13 ILE 43 1HG1 ILE 43 4.653 -2.175 -0.726 340 HG21 ILE 43 1HG2 ILE 43 3.869 -4.793 1.839 341 HG22 ILE 43 2HG2 ILE 43 5.303 -5.758 1.489 342 HG23 ILE 43 3HG2 ILE 43 3.997 -5.659 0.308 343 HD11 ILE 43 1HD1 ILE 43 2.759 -4.516 -0.754 344 HD12 ILE 43 2HD1 ILE 43 3.903 -4.102 -2.030 345 HD13 ILE 43 3HD1 ILE 43 2.570 -3.010 -1.651 346 H GLN 44 H GLN 44 8.256 -4.088 0.759 347 HA GLN 44 HA GLN 44 8.482 -6.234 2.584 348 HB2 GLN 44 2HB GLN 44 10.647 -4.808 1.027 349 HB3 GLN 44 1HB GLN 44 10.846 -6.347 1.849 350 HG2 GLN 44 2HG GLN 44 9.231 -7.378 0.368 351 HG3 GLN 44 1HG GLN 44 8.933 -5.827 -0.414 352 HE21 GLN 44 1HE2 GLN 44 9.870 -8.319 -1.576 353 HE22 GLN 44 2HE2 GLN 44 11.395 -7.967 -2.307 354 H LYS 45 H LYS 45 9.773 -2.959 2.605 355 HA LYS 45 HA LYS 45 11.337 -3.276 4.951 356 HB2 LYS 45 2HB LYS 45 11.700 -1.537 3.191 357 HB3 LYS 45 1HB LYS 45 10.250 -0.724 3.753 358 HG2 LYS 45 2HG LYS 45 11.248 -0.115 5.788 359 HG3 LYS 45 1HG LYS 45 12.571 -1.264 5.577 360 HD2 LYS 45 2HD LYS 45 13.326 1.025 5.144 361 HD3 LYS 45 1HD LYS 45 13.410 0.046 3.681 362 HE2 LYS 45 2HE LYS 45 11.240 1.006 2.969 363 HE3 LYS 45 1HE LYS 45 11.264 2.043 4.394 364 HZ1 LYS 45 1HZ LYS 45 13.439 2.916 3.527 365 HZ2 LYS 45 2HZ LYS 45 12.084 3.314 2.615 366 HZ3 LYS 45 3HZ LYS 45 13.124 2.096 2.072 367 H HIS 46 H HIS 46 8.088 -1.947 4.358 368 HA HIS 46 HA HIS 46 7.585 -1.196 7.034 369 HB2 HIS 46 2HB HIS 46 6.247 -0.377 5.110 370 HB3 HIS 46 1HB HIS 46 5.581 -1.991 4.902 371 HD1 HIS 46 1HD HIS 46 3.469 -2.487 6.203 372 HD2 HIS 46 2HD HIS 46 5.494 0.846 7.637 373 HE1 HIS 46 1HE HIS 46 1.977 -1.452 7.959 374 H ARG 47 H ARG 47 7.061 -4.183 5.243 375 HA ARG 47 HA ARG 47 5.571 -5.564 7.169 376 HB2 ARG 47 2HB ARG 47 5.674 -6.486 4.987 377 HB3 ARG 47 1HB ARG 47 7.429 -6.477 4.979 378 HG2 ARG 47 2HG ARG 47 6.568 -8.737 5.179 379 HG3 ARG 47 1HG ARG 47 7.457 -8.275 6.628 380 HD2 ARG 47 2HD ARG 47 5.319 -7.787 7.754 381 HD3 ARG 47 1HD ARG 47 4.454 -8.311 6.307 382 HE ARG 47 HE ARG 47 5.771 -10.491 6.731 383 HH11 ARG 47 1HH1 ARG 47 4.330 -8.438 9.187 384 HH12 ARG 47 2HH1 ARG 47 4.213 -9.711 10.354 385 HH21 ARG 47 1HH2 ARG 47 5.601 -12.171 8.270 386 HH22 ARG 47 2HH2 ARG 47 4.929 -11.840 9.828 387 H GLN 48 H GLN 48 9.075 -5.292 6.715 388 HA GLN 48 HA GLN 48 9.788 -7.090 8.770 389 HB2 GLN 48 2HB GLN 48 11.353 -6.430 7.028 390 HB3 GLN 48 1HB GLN 48 11.307 -4.765 7.586 391 HG2 GLN 48 2HG GLN 48 12.284 -5.493 9.730 392 HG3 GLN 48 1HG GLN 48 12.402 -7.129 9.084 393 HE21 GLN 48 1HE2 GLN 48 14.484 -5.307 9.999 394 HE22 GLN 48 2HE2 GLN 48 15.567 -5.114 8.665 395 H LEU 49 H LEU 49 9.402 -3.564 8.713 396 HA LEU 49 HA LEU 49 10.190 -3.175 11.402 397 HB2 LEU 49 2HB LEU 49 8.502 -1.447 9.600 398 HB3 LEU 49 1HB LEU 49 9.119 -0.946 11.161 399 HG LEU 49 HG LEU 49 10.794 -1.653 8.750 400 HD11 LEU 49 1HD1 LEU 49 11.343 0.722 8.724 401 HD12 LEU 49 2HD1 LEU 49 10.229 0.998 10.062 402 HD13 LEU 49 3HD1 LEU 49 9.614 0.458 8.500 403 HD21 LEU 49 1HD2 LEU 49 11.945 -2.243 10.806 404 HD22 LEU 49 2HD2 LEU 49 11.592 -0.654 11.484 405 HD23 LEU 49 3HD2 LEU 49 12.671 -0.801 10.097 406 H PHE 50 H PHE 50 7.012 -3.455 9.863 407 HA PHE 50 HA PHE 50 5.496 -3.047 12.201 408 HB2 PHE 50 2HB PHE 50 4.730 -2.999 9.749 409 HB3 PHE 50 1HB PHE 50 4.617 -4.749 9.874 410 HD1 PHE 50 1HD PHE 50 3.313 -1.568 11.209 411 HD2 PHE 50 2HD PHE 50 2.764 -5.776 10.920 412 HE1 PHE 50 1HE PHE 50 1.046 -1.330 12.132 413 HE2 PHE 50 2HE PHE 50 0.495 -5.546 11.842 414 HZ PHE 50 HZ PHE 50 -0.366 -3.321 12.448 415 H ASP 51 H ASP 51 6.865 -5.949 10.720 416 HA ASP 51 HA ASP 51 5.629 -7.843 12.401 417 HB2 ASP 51 2HB ASP 51 6.722 -8.563 10.362 418 HB3 ASP 51 1HB ASP 51 8.275 -7.967 10.940 419 H ASN 52 H ASN 52 8.611 -5.992 12.722 420 HA ASN 52 HA ASN 52 9.427 -7.316 15.118 421 HB2 ASN 52 2HB ASN 52 10.320 -4.714 13.883 422 HB3 ASN 52 1HB ASN 52 11.038 -5.401 15.333 423 HD21 ASN 52 1HD2 ASN 52 10.707 -8.153 14.268 424 HD22 ASN 52 2HD2 ASN 52 11.954 -8.332 13.091 425 H ARG 53 H ARG 53 7.218 -4.792 14.436 426 HA ARG 53 HA ARG 53 7.293 -3.535 17.002 427 HB2 ARG 53 2HB ARG 53 5.121 -3.546 14.900 428 HB3 ARG 53 1HB ARG 53 5.111 -2.541 16.337 429 HG2 ARG 53 2HG ARG 53 7.103 -2.411 14.079 430 HG3 ARG 53 1HG ARG 53 5.798 -1.270 14.395 431 HD2 ARG 53 2HD ARG 53 7.604 -0.169 15.320 432 HD3 ARG 53 1HD ARG 53 6.964 -1.025 16.721 433 HE ARG 53 HE ARG 53 9.231 -2.050 15.129 434 HH11 ARG 53 1HH1 ARG 53 7.747 -1.335 18.236 435 HH12 ARG 53 2HH1 ARG 53 9.068 -1.954 19.152 436 HH21 ARG 53 1HH2 ARG 53 10.993 -2.853 16.346 437 HH22 ARG 53 2HH2 ARG 53 10.933 -2.819 18.071 438 H GLN 54 H GLN 54 5.820 -6.352 15.714 439 HA GLN 54 HA GLN 54 4.488 -6.843 18.284 440 HB2 GLN 54 2HB GLN 54 2.575 -7.829 17.092 441 HB3 GLN 54 1HB GLN 54 2.775 -6.134 16.677 442 HG2 GLN 54 2HG GLN 54 3.721 -6.690 14.554 443 HG3 GLN 54 1HG GLN 54 3.798 -8.399 14.979 444 HE21 GLN 54 1HE2 GLN 54 1.905 -9.609 15.005 445 HE22 GLN 54 2HE2 GLN 54 0.460 -9.071 14.228 446 H GLU 55 H GLU 55 3.457 -9.345 17.529 447 HA GLU 55 HA GLU 55 5.579 -10.882 16.328 448 HB2 GLU 55 2HB GLU 55 5.563 -12.546 18.201 449 HB3 GLU 55 1HB GLU 55 6.297 -11.006 18.612 450 HG2 GLU 55 2HG GLU 55 4.350 -10.347 19.847 451 HG3 GLU 55 1HG GLU 55 3.480 -11.788 19.317 452 H ALA 56 H ALA 56 4.734 -12.372 15.041 453 HA ALA 56 HA ALA 56 2.220 -13.649 15.621 454 HB1 ALA 56 1HB ALA 56 2.419 -11.815 13.230 455 HB2 ALA 56 2HB ALA 56 1.451 -11.524 14.674 456 HB3 ALA 56 3HB ALA 56 1.066 -12.879 13.613 457 H ALA 57 H ALA 57 1.628 -15.168 13.815 458 HA ALA 57 HA ALA 57 4.086 -16.448 12.910 459 HB1 ALA 57 1HB ALA 57 1.246 -17.444 12.763 460 HB2 ALA 57 2HB ALA 57 2.382 -17.788 14.067 461 HB3 ALA 57 3HB ALA 57 2.703 -18.381 12.438 462 H ASP 58 H ASP 58 4.002 -17.512 10.716 463 HA ASP 58 HA ASP 58 3.759 -15.506 8.738 464 HB2 ASP 58 2HB ASP 58 4.336 -17.339 7.145 465 HB3 ASP 58 1HB ASP 58 5.450 -17.208 8.502 466 H THR 59 H THR 59 1.621 -17.957 9.891 467 HA THR 59 HA THR 59 -0.127 -18.185 7.722 468 HB THR 59 HB THR 59 -0.909 -18.261 10.641 469 HG1 THR 59 1HG THR 59 -0.241 -20.423 10.589 470 HG21 THR 59 1HG2 THR 59 -1.982 -19.694 8.204 471 HG22 THR 59 2HG2 THR 59 -2.772 -18.369 9.059 472 HG23 THR 59 3HG2 THR 59 -2.546 -19.924 9.859 473 H GLU 60 H GLU 60 -0.021 -15.912 10.422 474 HA GLU 60 HA GLU 60 -2.410 -14.528 9.797 475 HB2 GLU 60 2HB GLU 60 0.012 -13.656 11.389 476 HB3 GLU 60 1HB GLU 60 -1.539 -12.826 11.373 477 HG2 GLU 60 2HG GLU 60 -2.621 -14.629 12.459 478 HG3 GLU 60 1HG GLU 60 -1.237 -15.692 12.218 479 H ALA 61 H ALA 61 0.980 -14.052 8.992 480 HA ALA 61 HA ALA 61 0.675 -11.549 7.705 481 HB1 ALA 61 1HB ALA 61 2.822 -13.629 7.329 482 HB2 ALA 61 2HB ALA 61 2.822 -12.356 8.551 483 HB3 ALA 61 3HB ALA 61 2.913 -11.937 6.840 484 H ALA 62 H ALA 62 0.690 -14.886 6.523 485 HA ALA 62 HA ALA 62 0.687 -14.311 3.781 486 HB1 ALA 62 1HB ALA 62 -0.080 -16.600 3.468 487 HB2 ALA 62 2HB ALA 62 -0.502 -16.706 5.177 488 HB3 ALA 62 3HB ALA 62 1.185 -16.529 4.695 489 H LYS 63 H LYS 63 -1.991 -14.764 6.055 490 HA LYS 63 HA LYS 63 -4.026 -14.555 4.088 491 HB2 LYS 63 2HB LYS 63 -4.147 -14.115 7.072 492 HB3 LYS 63 1HB LYS 63 -5.549 -14.206 6.015 493 HG2 LYS 63 2HG LYS 63 -4.909 -16.495 5.399 494 HG3 LYS 63 1HG LYS 63 -3.552 -16.396 6.523 495 HD2 LYS 63 2HD LYS 63 -5.112 -16.046 8.373 496 HD3 LYS 63 1HD LYS 63 -6.468 -16.131 7.245 497 HE2 LYS 63 2HE LYS 63 -4.495 -18.334 7.830 498 HE3 LYS 63 1HE LYS 63 -6.162 -18.256 8.398 499 HZ1 LYS 63 1HZ LYS 63 -5.960 -19.688 6.477 500 HZ2 LYS 63 2HZ LYS 63 -5.294 -18.435 5.565 501 HZ3 LYS 63 3HZ LYS 63 -6.895 -18.335 6.085 502 H GLN 64 H GLN 64 -2.532 -12.220 6.283 503 HA GLN 64 HA GLN 64 -4.221 -10.055 5.617 504 HB2 GLN 64 2HB GLN 64 -2.625 -10.297 7.615 505 HB3 GLN 64 1HB GLN 64 -1.356 -9.788 6.511 506 HG2 GLN 64 2HG GLN 64 -2.132 -7.904 7.788 507 HG3 GLN 64 1HG GLN 64 -2.585 -7.698 6.096 508 HE21 GLN 64 1HE2 GLN 64 -4.244 -6.269 6.633 509 HE22 GLN 64 2HE2 GLN 64 -5.719 -6.809 7.357 510 H GLY 65 H GLY 65 -1.091 -11.152 4.384 511 HA2 GLY 65 2HA GLY 65 -0.721 -9.031 2.542 512 HA3 GLY 65 1HA GLY 65 0.080 -10.597 2.494 513 H ASP 66 H ASP 66 -2.307 -12.161 2.330 514 HA ASP 66 HA ASP 66 -2.662 -12.280 -0.452 515 HB2 ASP 66 2HB ASP 66 -3.048 -14.246 0.863 516 HB3 ASP 66 1HB ASP 66 -4.276 -13.435 1.825 517 H GLN 67 H GLN 67 -4.630 -10.835 2.081 518 HA GLN 67 HA GLN 67 -6.798 -10.093 0.427 519 HB2 GLN 67 2HB GLN 67 -6.929 -10.215 2.889 520 HB3 GLN 67 1HB GLN 67 -5.852 -8.831 3.007 521 HG2 GLN 67 2HG GLN 67 -7.537 -7.481 1.793 522 HG3 GLN 67 1HG GLN 67 -8.622 -8.869 1.838 523 HE21 GLN 67 1HE2 GLN 67 -10.149 -7.797 3.052 524 HE22 GLN 67 2HE2 GLN 67 -9.914 -7.414 4.723 525 H TRP 68 H TRP 68 -3.823 -8.442 1.401 526 HA TRP 68 HA TRP 68 -4.460 -5.953 0.236 527 HB2 TRP 68 2HB TRP 68 -2.801 -6.161 2.002 528 HB3 TRP 68 1HB TRP 68 -1.805 -7.191 0.981 529 HD1 TRP 68 HD TRP 68 -0.129 -6.046 -0.554 530 HE1 TRP 68 1HE TRP 68 0.485 -3.587 -1.081 531 HE3 TRP 68 3HE TRP 68 -4.009 -3.739 1.807 532 HZ2 TRP 68 2HZ TRP 68 -0.563 -1.018 -0.550 533 HZ3 TRP 68 3HZ TRP 68 -4.140 -1.286 1.755 534 HH2 TRP 68 HH TRP 68 -2.453 0.044 0.601 535 H VAL 69 H VAL 69 -2.515 -8.716 -0.859 536 HA VAL 69 HA VAL 69 -1.754 -7.618 -3.334 537 HB VAL 69 HB VAL 69 -2.039 -10.521 -2.511 538 HG11 VAL 69 1HG1 VAL 69 -0.617 -11.051 -4.438 539 HG12 VAL 69 2HG1 VAL 69 -0.674 -9.362 -4.944 540 HG13 VAL 69 3HG1 VAL 69 -2.146 -10.333 -4.946 541 HG21 VAL 69 1HG2 VAL 69 0.363 -8.705 -2.702 542 HG22 VAL 69 2HG2 VAL 69 0.407 -10.422 -2.305 543 HG23 VAL 69 3HG2 VAL 69 -0.393 -9.286 -1.218 544 H GLN 70 H GLN 70 -4.579 -9.478 -2.350 545 HA GLN 70 HA GLN 70 -5.656 -9.966 -4.896 546 HB2 GLN 70 2HB GLN 70 -6.410 -11.066 -2.816 547 HB3 GLN 70 1HB GLN 70 -7.106 -9.547 -2.277 548 HG2 GLN 70 2HG GLN 70 -8.663 -9.587 -4.141 549 HG3 GLN 70 1HG GLN 70 -7.953 -11.097 -4.712 550 HE21 GLN 70 1HE2 GLN 70 -9.839 -12.249 -4.505 551 HE22 GLN 70 2HE2 GLN 70 -10.516 -12.677 -2.976 552 H LEU 71 H LEU 71 -6.005 -7.231 -2.679 553 HA LEU 71 HA LEU 71 -7.935 -5.786 -4.097 554 HB2 LEU 71 2HB LEU 71 -6.821 -5.484 -1.724 555 HB3 LEU 71 1HB LEU 71 -5.719 -4.443 -2.596 556 HG LEU 71 HG LEU 71 -8.702 -4.072 -2.506 557 HD11 LEU 71 1HD1 LEU 71 -8.231 -2.218 -0.957 558 HD12 LEU 71 2HD1 LEU 71 -6.532 -2.686 -0.937 559 HD13 LEU 71 3HD1 LEU 71 -7.756 -3.780 -0.291 560 HD21 LEU 71 1HD2 LEU 71 -8.212 -1.825 -3.373 561 HD22 LEU 71 2HD2 LEU 71 -7.663 -3.079 -4.484 562 HD23 LEU 71 3HD2 LEU 71 -6.500 -2.237 -3.460 563 H PHE 72 H PHE 72 -4.386 -5.689 -4.192 564 HA PHE 72 HA PHE 72 -4.212 -3.667 -6.176 565 HB2 PHE 72 2HB PHE 72 -2.365 -4.170 -4.626 566 HB3 PHE 72 1HB PHE 72 -2.168 -5.751 -5.372 567 HD1 PHE 72 1HD PHE 72 -1.979 -2.110 -6.055 568 HD2 PHE 72 2HD PHE 72 -0.793 -6.020 -7.248 569 HE1 PHE 72 1HE PHE 72 -0.405 -1.134 -7.675 570 HE2 PHE 72 2HE PHE 72 0.782 -5.051 -8.870 571 HZ PHE 72 HZ PHE 72 0.978 -2.605 -9.085 572 H GLN 73 H GLN 73 -4.290 -7.178 -6.291 573 HA GLN 73 HA GLN 73 -3.600 -7.499 -8.989 574 HB2 GLN 73 2HB GLN 73 -3.652 -9.342 -7.351 575 HB3 GLN 73 1HB GLN 73 -5.405 -9.235 -7.298 576 HG2 GLN 73 2HG GLN 73 -5.583 -9.946 -9.572 577 HG3 GLN 73 1HG GLN 73 -3.835 -9.859 -9.783 578 HE21 GLN 73 1HE2 GLN 73 -5.686 -12.091 -10.121 579 HE22 GLN 73 2HE2 GLN 73 -5.087 -13.355 -9.106 580 H ARG 74 H ARG 74 -6.745 -7.017 -7.422 581 HA ARG 74 HA ARG 74 -8.291 -7.227 -9.779 582 HB2 ARG 74 2HB ARG 74 -9.295 -7.324 -7.526 583 HB3 ARG 74 1HB ARG 74 -8.887 -5.632 -7.274 584 HG2 ARG 74 2HG ARG 74 -10.339 -5.043 -9.197 585 HG3 ARG 74 1HG ARG 74 -10.818 -6.736 -9.304 586 HD2 ARG 74 2HD ARG 74 -11.723 -6.627 -7.040 587 HD3 ARG 74 1HD ARG 74 -11.215 -4.942 -6.912 588 HE ARG 74 HE ARG 74 -13.047 -5.667 -9.077 589 HH11 ARG 74 1HH1 ARG 74 -12.591 -4.122 -5.951 590 HH12 ARG 74 2HH1 ARG 74 -14.076 -3.242 -6.040 591 HH21 ARG 74 1HH2 ARG 74 -14.997 -4.483 -9.182 592 HH22 ARG 74 2HH2 ARG 74 -15.433 -3.422 -7.887 593 H PHE 75 H PHE 75 -6.626 -4.547 -8.231 594 HA PHE 75 HA PHE 75 -7.609 -2.460 -9.834 595 HB2 PHE 75 2HB PHE 75 -6.367 -2.079 -7.739 596 HB3 PHE 75 1HB PHE 75 -4.910 -2.722 -8.480 597 HD1 PHE 75 1HD PHE 75 -7.411 0.009 -8.811 598 HD2 PHE 75 2HD PHE 75 -3.431 -1.294 -9.567 599 HE1 PHE 75 1HE PHE 75 -6.818 2.274 -9.568 600 HE2 PHE 75 2HE PHE 75 -2.831 0.969 -10.327 601 HZ PHE 75 HZ PHE 75 -4.525 2.756 -10.327 602 H ARG 76 H ARG 76 -4.778 -4.547 -10.182 603 HA ARG 76 HA ARG 76 -3.814 -3.406 -12.568 604 HB2 ARG 76 2HB ARG 76 -2.470 -4.892 -11.133 605 HB3 ARG 76 1HB ARG 76 -3.510 -6.242 -11.564 606 HG2 ARG 76 2HG ARG 76 -2.815 -6.030 -13.898 607 HG3 ARG 76 1HG ARG 76 -1.762 -4.685 -13.457 608 HD2 ARG 76 2HD ARG 76 -0.513 -6.181 -11.959 609 HD3 ARG 76 1HD ARG 76 -1.552 -7.520 -12.447 610 HE ARG 76 HE ARG 76 -0.374 -6.282 -14.705 611 HH11 ARG 76 1HH1 ARG 76 0.374 -8.470 -12.056 612 HH12 ARG 76 2HH1 ARG 76 1.656 -9.259 -12.898 613 HH21 ARG 76 1HH2 ARG 76 1.317 -7.340 -15.832 614 HH22 ARG 76 2HH2 ARG 76 2.194 -8.614 -15.066 615 H GLU 77 H GLU 77 -6.007 -6.124 -11.952 616 HA GLU 77 HA GLU 77 -6.374 -6.911 -14.619 617 HB2 GLU 77 2HB GLU 77 -8.114 -7.190 -12.184 618 HB3 GLU 77 1HB GLU 77 -8.592 -7.832 -13.746 619 HG2 GLU 77 2HG GLU 77 -6.530 -9.189 -13.775 620 HG3 GLU 77 1HG GLU 77 -6.156 -8.588 -12.159 621 H ALA 78 H ALA 78 -8.122 -4.567 -12.633 622 HA ALA 78 HA ALA 78 -10.142 -3.992 -14.478 623 HB1 ALA 78 1HB ALA 78 -10.473 -1.922 -13.214 624 HB2 ALA 78 2HB ALA 78 -8.933 -2.181 -12.392 625 HB3 ALA 78 3HB ALA 78 -10.264 -3.309 -12.145 626 H ILE 79 H ILE 79 -6.891 -2.624 -14.107 627 HA ILE 79 HA ILE 79 -7.145 -0.616 -16.093 628 HB ILE 79 HB ILE 79 -4.650 -2.104 -15.213 629 HG12 ILE 79 2HG1 ILE 79 -5.751 0.569 -14.316 630 HG13 ILE 79 1HG1 ILE 79 -5.773 -0.917 -13.373 631 HG21 ILE 79 1HG2 ILE 79 -4.918 0.492 -16.731 632 HG22 ILE 79 2HG2 ILE 79 -4.320 -1.038 -17.374 633 HG23 ILE 79 3HG2 ILE 79 -3.408 -0.190 -16.126 634 HD11 ILE 79 1HD1 ILE 79 -3.310 0.560 -14.275 635 HD12 ILE 79 2HD1 ILE 79 -3.336 -0.923 -13.321 636 HD13 ILE 79 3HD1 ILE 79 -3.994 0.569 -12.650 637 H ASP 80 H ASP 80 -5.984 -3.938 -16.174 638 HA ASP 80 HA ASP 80 -5.201 -4.007 -18.874 639 HB2 ASP 80 2HB ASP 80 -4.427 -5.645 -17.251 640 HB3 ASP 80 1HB ASP 80 -6.067 -6.241 -17.034 641 H LYS 81 H LYS 81 -8.287 -4.689 -17.322 642 HA LYS 81 HA LYS 81 -9.473 -5.591 -19.817 643 HB2 LYS 81 2HB LYS 81 -10.725 -5.175 -17.097 644 HB3 LYS 81 1HB LYS 81 -11.498 -5.954 -18.473 645 HG2 LYS 81 2HG LYS 81 -9.988 -7.784 -18.396 646 HG3 LYS 81 1HG LYS 81 -8.949 -6.957 -17.236 647 HD2 LYS 81 2HD LYS 81 -10.891 -6.994 -15.635 648 HD3 LYS 81 1HD LYS 81 -11.716 -8.054 -16.782 649 HE2 LYS 81 2HE LYS 81 -9.964 -9.694 -16.596 650 HE3 LYS 81 1HE LYS 81 -9.018 -8.622 -15.567 651 HZ1 LYS 81 1HZ LYS 81 -10.043 -10.093 -14.107 652 HZ2 LYS 81 2HZ LYS 81 -11.521 -10.050 -14.928 653 HZ3 LYS 81 3HZ LYS 81 -11.021 -8.715 -14.020 654 H GLY 82 H GLY 82 -8.911 -2.638 -18.353 655 HA2 GLY 82 2HA GLY 82 -9.440 -0.529 -19.136 656 HA3 GLY 82 1HA GLY 82 -10.489 -1.273 -20.331 657 H ASP 83 H ASP 83 -10.912 -2.089 -16.996 658 HA ASP 83 HA ASP 83 -13.557 -0.881 -17.059 659 HB2 ASP 83 2HB ASP 83 -13.106 -3.220 -16.153 660 HB3 ASP 83 1HB ASP 83 -12.325 -2.443 -14.781 661 H LYS 84 H LYS 84 -13.074 1.280 -16.986 662 HA LYS 84 HA LYS 84 -11.313 2.434 -15.073 663 HB2 LYS 84 2HB LYS 84 -12.167 4.590 -15.890 664 HB3 LYS 84 1HB LYS 84 -11.730 3.525 -17.215 665 HG2 LYS 84 2HG LYS 84 -14.094 2.960 -17.529 666 HG3 LYS 84 1HG LYS 84 -14.523 4.061 -16.221 667 HD2 LYS 84 2HD LYS 84 -13.538 5.919 -17.505 668 HD3 LYS 84 1HD LYS 84 -13.176 4.797 -18.819 669 HE2 LYS 84 2HE LYS 84 -15.914 5.492 -17.755 670 HE3 LYS 84 1HE LYS 84 -15.225 6.022 -19.288 671 HZ1 LYS 84 1HZ LYS 84 -16.706 4.186 -19.656 672 HZ2 LYS 84 2HZ LYS 84 -15.906 3.228 -18.530 673 HZ3 LYS 84 3HZ LYS 84 -15.130 3.668 -19.965 674 H ASP 85 H ASP 85 -14.655 1.597 -15.074 675 HA ASP 85 HA ASP 85 -15.560 3.327 -13.057 676 HB2 ASP 85 2HB ASP 85 -17.152 2.152 -14.423 677 HB3 ASP 85 1HB ASP 85 -16.540 0.594 -13.877 678 H SER 86 H SER 86 -14.172 0.067 -12.881 679 HA SER 86 HA SER 86 -14.365 -0.098 -10.044 680 HB2 SER 86 2HB SER 86 -12.461 -1.576 -11.881 681 HB3 SER 86 1HB SER 86 -12.907 -2.040 -10.238 682 HG SER 86 HG SER 86 -14.564 -1.934 -12.536 683 H LEU 87 H LEU 87 -11.891 0.985 -12.292 684 HA LEU 87 HA LEU 87 -9.750 1.276 -10.517 685 HB2 LEU 87 2HB LEU 87 -10.417 2.853 -13.000 686 HB3 LEU 87 1HB LEU 87 -8.865 2.884 -12.185 687 HG LEU 87 HG LEU 87 -10.091 0.415 -13.411 688 HD11 LEU 87 1HD1 LEU 87 -7.808 2.064 -14.466 689 HD12 LEU 87 2HD1 LEU 87 -9.454 2.177 -15.072 690 HD13 LEU 87 3HD1 LEU 87 -8.564 0.664 -15.223 691 HD21 LEU 87 1HD2 LEU 87 -7.367 0.978 -12.275 692 HD22 LEU 87 2HD2 LEU 87 -7.843 -0.497 -13.116 693 HD23 LEU 87 3HD2 LEU 87 -8.602 -0.074 -11.581 694 H GLU 88 H GLU 88 -12.266 3.556 -11.458 695 HA GLU 88 HA GLU 88 -11.405 5.810 -10.075 696 HB2 GLU 88 2HB GLU 88 -13.227 5.876 -11.671 697 HB3 GLU 88 1HB GLU 88 -14.207 4.844 -10.644 698 HG2 GLU 88 2HG GLU 88 -14.077 6.672 -8.908 699 HG3 GLU 88 1HG GLU 88 -13.396 7.693 -10.175 700 H GLN 89 H GLN 89 -13.528 3.174 -8.931 701 HA GLN 89 HA GLN 89 -13.851 4.283 -6.343 702 HB2 GLN 89 2HB GLN 89 -15.429 2.641 -7.337 703 HB3 GLN 89 1HB GLN 89 -14.187 1.403 -7.187 704 HG2 GLN 89 2HG GLN 89 -14.147 1.842 -4.743 705 HG3 GLN 89 1HG GLN 89 -15.525 2.914 -4.969 706 HE21 GLN 89 1HE2 GLN 89 -15.296 0.492 -3.398 707 HE22 GLN 89 2HE2 GLN 89 -16.511 -0.584 -3.985 708 H LEU 90 H LEU 90 -11.670 1.902 -7.751 709 HA LEU 90 HA LEU 90 -10.527 1.000 -5.365 710 HB2 LEU 90 2HB LEU 90 -9.403 1.083 -8.155 711 HB3 LEU 90 1HB LEU 90 -8.602 0.291 -6.812 712 HG LEU 90 HG LEU 90 -11.325 -0.450 -7.891 713 HD11 LEU 90 1HD1 LEU 90 -9.541 -0.994 -9.456 714 HD12 LEU 90 2HD1 LEU 90 -10.232 -2.450 -8.738 715 HD13 LEU 90 3HD1 LEU 90 -8.674 -1.844 -8.176 716 HD21 LEU 90 1HD2 LEU 90 -11.081 -2.432 -6.451 717 HD22 LEU 90 2HD2 LEU 90 -11.145 -0.936 -5.523 718 HD23 LEU 90 3HD2 LEU 90 -9.601 -1.747 -5.781 719 H LEU 91 H LEU 91 -9.699 3.778 -7.389 720 HA LEU 91 HA LEU 91 -7.303 4.487 -6.099 721 HB2 LEU 91 2HB LEU 91 -9.420 6.275 -7.301 722 HB3 LEU 91 1HB LEU 91 -7.827 6.816 -6.818 723 HG LEU 91 HG LEU 91 -8.438 4.846 -9.019 724 HD11 LEU 91 1HD1 LEU 91 -7.471 7.698 -9.082 725 HD12 LEU 91 2HD1 LEU 91 -9.051 7.114 -9.602 726 HD13 LEU 91 3HD1 LEU 91 -7.599 6.633 -10.479 727 HD21 LEU 91 1HD2 LEU 91 -6.323 4.304 -7.950 728 HD22 LEU 91 2HD2 LEU 91 -5.809 5.986 -8.072 729 HD23 LEU 91 3HD2 LEU 91 -6.035 5.026 -9.533 730 H GLU 92 H GLU 92 -10.653 5.254 -5.364 731 HA GLU 92 HA GLU 92 -10.146 6.950 -3.150 732 HB2 GLU 92 2HB GLU 92 -12.260 6.856 -4.487 733 HB3 GLU 92 1HB GLU 92 -12.613 5.309 -3.735 734 HG2 GLU 92 2HG GLU 92 -12.561 6.467 -1.526 735 HG3 GLU 92 1HG GLU 92 -12.429 7.993 -2.400 736 H GLU 93 H GLU 93 -10.963 3.516 -3.465 737 HA GLU 93 HA GLU 93 -11.060 2.881 -0.723 738 HB2 GLU 93 2HB GLU 93 -10.341 1.125 -3.077 739 HB3 GLU 93 1HB GLU 93 -10.717 0.541 -1.465 740 HG2 GLU 93 2HG GLU 93 -12.594 2.039 -3.276 741 HG3 GLU 93 1HG GLU 93 -12.603 0.300 -2.983 742 H LEU 94 H LEU 94 -8.435 2.826 -3.074 743 HA LEU 94 HA LEU 94 -6.466 1.644 -1.473 744 HB2 LEU 94 2HB LEU 94 -6.323 1.968 -3.923 745 HB3 LEU 94 1HB LEU 94 -6.135 3.689 -3.669 746 HG LEU 94 HG LEU 94 -4.010 3.204 -2.435 747 HD11 LEU 94 1HD1 LEU 94 -4.453 0.896 -1.817 748 HD12 LEU 94 2HD1 LEU 94 -2.974 1.009 -2.772 749 HD13 LEU 94 3HD1 LEU 94 -4.462 0.426 -3.517 750 HD21 LEU 94 1HD2 LEU 94 -4.022 3.931 -4.766 751 HD22 LEU 94 2HD2 LEU 94 -4.164 2.255 -5.295 752 HD23 LEU 94 3HD2 LEU 94 -2.710 2.796 -4.460 753 H GLU 95 H GLU 95 -7.318 5.041 -1.995 754 HA GLU 95 HA GLU 95 -5.309 6.182 -0.420 755 HB2 GLU 95 2HB GLU 95 -6.685 7.498 -1.935 756 HB3 GLU 95 1HB GLU 95 -8.112 7.167 -0.966 757 HG2 GLU 95 2HG GLU 95 -7.107 8.390 0.905 758 HG3 GLU 95 1HG GLU 95 -5.703 8.748 -0.099 759 H GLN 96 H GLN 96 -8.570 5.042 0.460 760 HA GLN 96 HA GLN 96 -8.503 5.866 3.118 761 HB2 GLN 96 2HB GLN 96 -10.501 5.287 1.784 762 HB3 GLN 96 1HB GLN 96 -9.996 3.604 1.808 763 HG2 GLN 96 2HG GLN 96 -11.667 3.931 3.407 764 HG3 GLN 96 1HG GLN 96 -10.136 3.642 4.236 765 HE21 GLN 96 1HE2 GLN 96 -10.820 4.646 6.138 766 HE22 GLN 96 2HE2 GLN 96 -11.029 6.357 6.254 767 H ALA 97 H ALA 97 -7.550 2.891 1.460 768 HA ALA 97 HA ALA 97 -7.083 1.302 3.724 769 HB1 ALA 97 1HB ALA 97 -5.708 1.139 1.044 770 HB2 ALA 97 2HB ALA 97 -7.268 0.415 1.436 771 HB3 ALA 97 3HB ALA 97 -5.808 -0.141 2.253 772 H LEU 98 H LEU 98 -4.879 3.411 1.881 773 HA LEU 98 HA LEU 98 -2.626 2.814 3.475 774 HB2 LEU 98 2HB LEU 98 -3.240 5.020 1.552 775 HB3 LEU 98 1HB LEU 98 -1.803 5.096 2.547 776 HG LEU 98 HG LEU 98 -1.305 4.242 0.322 777 HD11 LEU 98 1HD1 LEU 98 0.070 3.499 2.174 778 HD12 LEU 98 2HD1 LEU 98 -0.101 2.216 0.978 779 HD13 LEU 98 3HD1 LEU 98 -1.028 2.155 2.473 780 HD21 LEU 98 1HD2 LEU 98 -2.097 2.034 -0.385 781 HD22 LEU 98 2HD2 LEU 98 -3.419 3.190 -0.219 782 HD23 LEU 98 3HD2 LEU 98 -3.153 1.972 1.027 783 H GLN 99 H GLN 99 -5.183 5.197 3.816 784 HA GLN 99 HA GLN 99 -3.977 6.696 5.866 785 HB2 GLN 99 2HB GLN 99 -6.003 7.421 4.651 786 HB3 GLN 99 1HB GLN 99 -6.912 6.119 5.406 787 HG2 GLN 99 2HG GLN 99 -6.480 7.098 7.595 788 HG3 GLN 99 1HG GLN 99 -5.601 8.415 6.824 789 HE21 GLN 99 1HE2 GLN 99 -8.693 7.019 7.453 790 HE22 GLN 99 2HE2 GLN 99 -9.646 8.361 6.920 791 H LYS 100 H LYS 100 -5.957 3.792 5.833 792 HA LYS 100 HA LYS 100 -6.170 3.429 8.613 793 HB2 LYS 100 2HB LYS 100 -7.565 2.255 6.943 794 HB3 LYS 100 1HB LYS 100 -6.155 1.349 6.420 795 HG2 LYS 100 2HG LYS 100 -5.996 0.294 8.598 796 HG3 LYS 100 1HG LYS 100 -7.372 1.239 9.170 797 HD2 LYS 100 2HD LYS 100 -8.774 0.196 7.432 798 HD3 LYS 100 1HD LYS 100 -7.394 -0.786 6.935 799 HE2 LYS 100 2HE LYS 100 -7.308 -1.793 9.155 800 HE3 LYS 100 1HE LYS 100 -8.674 -0.800 9.662 801 HZ1 LYS 100 1HZ LYS 100 -8.716 -2.849 7.523 802 HZ2 LYS 100 2HZ LYS 100 -10.025 -1.886 7.982 803 HZ3 LYS 100 3HZ LYS 100 -9.383 -3.010 9.069 804 H ILE 101 H ILE 101 -3.792 2.325 6.234 805 HA ILE 101 HA ILE 101 -2.230 0.798 8.020 806 HB ILE 101 HB ILE 101 -1.453 2.168 5.431 807 HG12 ILE 101 2HG1 ILE 101 -2.113 -0.712 6.099 808 HG13 ILE 101 1HG1 ILE 101 -3.130 0.400 5.190 809 HG21 ILE 101 1HG2 ILE 101 0.545 1.857 6.793 810 HG22 ILE 101 2HG2 ILE 101 0.547 0.732 5.435 811 HG23 ILE 101 3HG2 ILE 101 0.125 0.163 7.050 812 HD11 ILE 101 1HD1 ILE 101 -1.473 0.469 3.411 813 HD12 ILE 101 2HD1 ILE 101 -1.979 -1.187 3.741 814 HD13 ILE 101 3HD1 ILE 101 -0.424 -0.606 4.333 815 H ARG 102 H ARG 102 -2.158 4.207 7.115 816 HA ARG 102 HA ARG 102 0.169 4.936 8.503 817 HB2 ARG 102 2HB ARG 102 -0.785 6.488 6.945 818 HB3 ARG 102 1HB ARG 102 -2.319 6.499 7.798 819 HG2 ARG 102 2HG ARG 102 -1.311 7.668 9.664 820 HG3 ARG 102 1HG ARG 102 0.271 7.584 8.888 821 HD2 ARG 102 2HD ARG 102 -2.074 8.886 7.541 822 HD3 ARG 102 1HD ARG 102 -1.069 9.769 8.688 823 HE ARG 102 HE ARG 102 0.828 9.038 7.122 824 HH11 ARG 102 1HH1 ARG 102 -2.431 9.776 6.024 825 HH12 ARG 102 2HH1 ARG 102 -1.914 10.389 4.500 826 HH21 ARG 102 1HH2 ARG 102 1.522 9.888 5.082 827 HH22 ARG 102 2HH2 ARG 102 0.324 10.451 3.962 828 H GLU 103 H GLU 103 -3.188 4.548 9.582 829 HA GLU 103 HA GLU 103 -2.798 5.524 12.164 830 HB2 GLU 103 2HB GLU 103 -4.982 5.393 11.135 831 HB3 GLU 103 1HB GLU 103 -4.829 3.648 10.965 832 HG2 GLU 103 2HG GLU 103 -4.787 3.399 13.327 833 HG3 GLU 103 1HG GLU 103 -4.859 5.150 13.518 834 H LEU 104 H LEU 104 -2.576 2.338 10.649 835 HA LEU 104 HA LEU 104 -2.181 0.846 13.018 836 HB2 LEU 104 2HB LEU 104 -1.275 0.265 10.196 837 HB3 LEU 104 1HB LEU 104 -1.231 -0.888 11.512 838 HG LEU 104 HG LEU 104 -3.734 0.350 10.360 839 HD11 LEU 104 1HD1 LEU 104 -4.171 -1.879 9.470 840 HD12 LEU 104 2HD1 LEU 104 -2.613 -2.433 10.083 841 HD13 LEU 104 3HD1 LEU 104 -2.677 -1.208 8.816 842 HD21 LEU 104 1HD2 LEU 104 -3.366 -1.794 12.454 843 HD22 LEU 104 2HD2 LEU 104 -4.904 -1.313 11.741 844 HD23 LEU 104 3HD2 LEU 104 -3.994 -0.167 12.722 845 H ALA 105 H ALA 105 -0.007 2.612 10.910 846 HA ALA 105 HA ALA 105 2.406 1.701 12.122 847 HB1 ALA 105 1HB ALA 105 1.887 4.213 10.526 848 HB2 ALA 105 2HB ALA 105 2.358 2.649 9.861 849 HB3 ALA 105 3HB ALA 105 3.471 3.535 10.903 850 H GLU 106 H GLU 106 -0.018 3.864 13.064 851 HA GLU 106 HA GLU 106 1.676 5.359 14.900 852 HB2 GLU 106 2HB GLU 106 -0.091 6.537 13.698 853 HB3 GLU 106 1HB GLU 106 -1.292 5.421 14.320 854 HG2 GLU 106 2HG GLU 106 -1.020 6.281 16.537 855 HG3 GLU 106 1HG GLU 106 0.333 7.291 16.020 856 H LYS 107 H LYS 107 -0.475 2.675 14.766 857 HA LYS 107 HA LYS 107 0.317 1.465 17.110 858 HB2 LYS 107 2HB LYS 107 -0.858 3.336 18.260 859 HB3 LYS 107 1HB LYS 107 -2.348 2.861 17.454 860 HG2 LYS 107 2HG LYS 107 -2.309 0.715 18.578 861 HG3 LYS 107 1HG LYS 107 -0.774 1.125 19.342 862 HD2 LYS 107 2HD LYS 107 -1.866 2.997 20.490 863 HD3 LYS 107 1HD LYS 107 -3.402 2.542 19.748 864 HE2 LYS 107 2HE LYS 107 -3.281 0.359 20.846 865 HE3 LYS 107 1HE LYS 107 -1.749 0.817 21.588 866 HZ1 LYS 107 1HZ LYS 107 -3.583 1.084 23.112 867 HZ2 LYS 107 2HZ LYS 107 -4.357 2.146 22.049 868 HZ3 LYS 107 3HZ LYS 107 -2.886 2.583 22.762 869 H LYS 108 H LYS 108 -0.015 -0.568 16.597 870 HA LYS 108 HA LYS 108 -1.860 -1.376 14.589 871 HB2 LYS 108 2HB LYS 108 0.153 -2.648 14.847 872 HB3 LYS 108 1HB LYS 108 -0.177 -2.935 16.551 873 HG2 LYS 108 2HG LYS 108 -2.396 -4.000 15.431 874 HG3 LYS 108 1HG LYS 108 -1.205 -4.317 14.169 875 HD2 LYS 108 2HD LYS 108 0.188 -5.518 15.684 876 HD3 LYS 108 1HD LYS 108 -0.781 -5.009 17.069 877 HE2 LYS 108 2HE LYS 108 -1.709 -6.793 14.818 878 HE3 LYS 108 1HE LYS 108 -1.266 -7.325 16.438 879 HZ1 LYS 108 1HZ LYS 108 -3.097 -5.915 17.299 880 HZ2 LYS 108 2HZ LYS 108 -3.632 -7.157 16.293 881 HZ3 LYS 108 3HZ LYS 108 -3.560 -5.578 15.708 882 H ASN 109 H ASN 109 -1.705 -1.755 18.099 883 HA ASN 109 HA ASN 109 -3.255 -2.202 19.688 884 HB2 ASN 109 2HB ASN 109 -4.755 -0.565 18.698 885 HB3 ASN 109 1HB ASN 109 -5.252 -1.716 17.462 886 HD21 ASN 109 1HD2 ASN 109 -7.384 -1.670 17.987 887 HD22 ASN 109 2HD2 ASN 109 -8.020 -2.333 19.453 Start of MODEL 19 1 H1 SER 1 1HT SER 1 2.075 6.729 15.637 2 H2 SER 1 2HT SER 1 1.192 8.154 15.357 3 H3 SER 1 3HT SER 1 1.792 7.821 16.905 4 HA SER 1 HA SER 1 3.495 8.228 14.531 5 HB2 SER 1 2HB SER 1 2.846 10.187 16.750 6 HB3 SER 1 1HB SER 1 3.874 10.482 15.345 7 HG SER 1 HG SER 1 1.488 11.153 15.352 8 H GLU 2 H GLU 2 3.467 6.203 16.689 9 HA GLU 2 HA GLU 2 5.626 7.049 18.453 10 HB2 GLU 2 2HB GLU 2 3.849 4.601 18.471 11 HB3 GLU 2 1HB GLU 2 5.144 4.881 19.622 12 HG2 GLU 2 2HG GLU 2 3.070 5.471 20.656 13 HG3 GLU 2 1HG GLU 2 3.977 6.949 20.362 14 H PHE 3 H PHE 3 4.855 4.568 16.063 15 HA PHE 3 HA PHE 3 7.517 3.443 16.217 16 HB2 PHE 3 2HB PHE 3 5.161 2.802 14.436 17 HB3 PHE 3 1HB PHE 3 6.680 1.915 14.427 18 HD1 PHE 3 1HD PHE 3 3.619 2.622 16.307 19 HD2 PHE 3 2HD PHE 3 7.258 0.421 16.224 20 HE1 PHE 3 1HE PHE 3 2.787 1.189 18.124 21 HE2 PHE 3 2HE PHE 3 6.432 -1.016 18.041 22 HZ PHE 3 HZ PHE 3 4.193 -0.632 18.992 23 H GLU 4 H GLU 4 8.993 4.836 15.469 24 HA GLU 4 HA GLU 4 8.568 6.793 13.509 25 HB2 GLU 4 2HB GLU 4 10.291 6.970 15.199 26 HB3 GLU 4 1HB GLU 4 11.143 5.599 14.506 27 HG2 GLU 4 2HG GLU 4 11.415 6.922 12.416 28 HG3 GLU 4 1HG GLU 4 10.737 8.306 13.275 29 H LYS 5 H LYS 5 10.228 3.636 13.199 30 HA LYS 5 HA LYS 5 10.942 4.059 10.485 31 HB2 LYS 5 2HB LYS 5 10.661 1.465 12.018 32 HB3 LYS 5 1HB LYS 5 11.353 1.605 10.412 33 HG2 LYS 5 2HG LYS 5 13.105 3.083 11.330 34 HG3 LYS 5 1HG LYS 5 12.439 2.821 12.942 35 HD2 LYS 5 2HD LYS 5 12.875 0.442 12.772 36 HD3 LYS 5 1HD LYS 5 13.448 0.641 11.116 37 HE2 LYS 5 2HE LYS 5 15.346 0.455 12.572 38 HE3 LYS 5 1HE LYS 5 15.256 2.108 11.973 39 HZ1 LYS 5 1HZ LYS 5 14.307 2.802 14.058 40 HZ2 LYS 5 2HZ LYS 5 15.753 1.986 14.355 41 HZ3 LYS 5 3HZ LYS 5 14.279 1.210 14.629 42 H LEU 6 H LEU 6 8.194 2.574 12.048 43 HA LEU 6 HA LEU 6 6.952 1.570 9.724 44 HB2 LEU 6 2HB LEU 6 6.413 0.929 12.080 45 HB3 LEU 6 1HB LEU 6 5.659 2.492 12.295 46 HG LEU 6 HG LEU 6 4.661 0.655 10.144 47 HD11 LEU 6 1HD1 LEU 6 3.107 -0.325 11.746 48 HD12 LEU 6 2HD1 LEU 6 3.910 0.533 13.061 49 HD13 LEU 6 3HD1 LEU 6 4.776 -0.712 12.159 50 HD21 LEU 6 1HD2 LEU 6 3.809 2.956 10.245 51 HD22 LEU 6 2HD2 LEU 6 3.316 2.700 11.919 52 HD23 LEU 6 3HD2 LEU 6 2.544 1.785 10.622 53 H ARG 7 H ARG 7 6.709 4.658 11.444 54 HA ARG 7 HA ARG 7 4.684 5.787 9.845 55 HB2 ARG 7 2HB ARG 7 6.868 7.113 11.454 56 HB3 ARG 7 1HB ARG 7 5.552 7.985 10.684 57 HG2 ARG 7 2HG ARG 7 5.218 5.857 12.786 58 HG3 ARG 7 1HG ARG 7 5.181 7.596 13.080 59 HD2 ARG 7 2HD ARG 7 3.307 6.152 11.210 60 HD3 ARG 7 1HD ARG 7 2.938 6.530 12.890 61 HE ARG 7 HE ARG 7 3.624 8.695 11.019 62 HH11 ARG 7 1HH1 ARG 7 1.287 7.097 13.102 63 HH12 ARG 7 2HH1 ARG 7 0.197 8.442 13.103 64 HH21 ARG 7 1HH2 ARG 7 2.159 10.472 11.033 65 HH22 ARG 7 2HH2 ARG 7 0.692 10.357 11.936 66 H GLN 8 H GLN 8 8.226 5.924 9.573 67 HA GLN 8 HA GLN 8 8.283 7.658 7.357 68 HB2 GLN 8 2HB GLN 8 10.302 7.220 8.615 69 HB3 GLN 8 1HB GLN 8 10.241 5.514 8.186 70 HG2 GLN 8 2HG GLN 8 10.468 6.204 5.790 71 HG3 GLN 8 1HG GLN 8 10.766 7.843 6.361 72 HE21 GLN 8 1HE2 GLN 8 12.435 5.942 4.881 73 HE22 GLN 8 2HE2 GLN 8 13.896 5.799 5.809 74 H THR 9 H THR 9 8.230 4.121 7.553 75 HA THR 9 HA THR 9 8.374 3.643 4.789 76 HB THR 9 HB THR 9 7.013 1.908 6.866 77 HG1 THR 9 1HG THR 9 9.095 2.225 7.580 78 HG21 THR 9 1HG2 THR 9 6.561 1.215 4.571 79 HG22 THR 9 2HG2 THR 9 7.668 0.076 5.340 80 HG23 THR 9 3HG2 THR 9 8.283 1.269 4.196 81 H GLY 10 H GLY 10 5.612 4.021 6.985 82 HA2 GLY 10 2HA GLY 10 3.582 3.594 5.086 83 HA3 GLY 10 1HA GLY 10 3.412 4.513 6.576 84 H ASP 11 H ASP 11 5.299 6.514 6.080 85 HA ASP 11 HA ASP 11 3.786 8.309 4.507 86 HB2 ASP 11 2HB ASP 11 5.208 9.045 6.382 87 HB3 ASP 11 1HB ASP 11 6.641 8.582 5.467 88 H GLU 12 H GLU 12 6.779 6.506 3.888 89 HA GLU 12 HA GLU 12 7.316 7.572 1.349 90 HB2 GLU 12 2HB GLU 12 7.976 4.894 2.572 91 HB3 GLU 12 1HB GLU 12 8.489 5.329 0.949 92 HG2 GLU 12 2HG GLU 12 9.619 7.339 1.967 93 HG3 GLU 12 1HG GLU 12 9.279 6.627 3.543 94 H LEU 13 H LEU 13 5.217 4.947 2.387 95 HA LEU 13 HA LEU 13 4.440 4.012 -0.139 96 HB2 LEU 13 2HB LEU 13 3.034 4.077 2.520 97 HB3 LEU 13 1HB LEU 13 2.260 3.416 1.096 98 HG LEU 13 HG LEU 13 4.866 2.383 2.218 99 HD11 LEU 13 1HD1 LEU 13 3.053 2.048 3.823 100 HD12 LEU 13 2HD1 LEU 13 3.545 0.522 3.093 101 HD13 LEU 13 3HD1 LEU 13 2.064 1.315 2.560 102 HD21 LEU 13 1HD2 LEU 13 4.548 1.931 -0.154 103 HD22 LEU 13 2HD2 LEU 13 2.945 1.276 0.172 104 HD23 LEU 13 3HD2 LEU 13 4.376 0.450 0.787 105 H VAL 14 H VAL 14 3.092 6.563 1.918 106 HA VAL 14 HA VAL 14 0.938 7.291 0.288 107 HB VAL 14 HB VAL 14 2.565 9.080 2.117 108 HG11 VAL 14 1HG1 VAL 14 0.563 10.497 2.198 109 HG12 VAL 14 2HG1 VAL 14 -0.215 9.458 1.004 110 HG13 VAL 14 3HG1 VAL 14 1.218 10.387 0.564 111 HG21 VAL 14 1HG2 VAL 14 1.647 7.146 3.285 112 HG22 VAL 14 2HG2 VAL 14 0.044 7.508 2.646 113 HG23 VAL 14 3HG2 VAL 14 0.816 8.623 3.773 114 H GLN 15 H GLN 15 4.286 8.467 0.327 115 HA GLN 15 HA GLN 15 3.987 10.422 -1.680 116 HB2 GLN 15 2HB GLN 15 6.467 8.793 -1.104 117 HB3 GLN 15 1HB GLN 15 6.403 10.354 -1.905 118 HG2 GLN 15 2HG GLN 15 5.546 11.340 0.204 119 HG3 GLN 15 1HG GLN 15 5.775 9.773 0.980 120 HE21 GLN 15 1HE2 GLN 15 7.314 10.487 2.425 121 HE22 GLN 15 2HE2 GLN 15 8.909 10.939 1.926 122 H ALA 16 H ALA 16 4.728 6.981 -1.825 123 HA ALA 16 HA ALA 16 5.278 6.846 -4.588 124 HB1 ALA 16 1HB ALA 16 4.991 4.443 -4.352 125 HB2 ALA 16 2HB ALA 16 4.224 4.673 -2.780 126 HB3 ALA 16 3HB ALA 16 5.923 5.083 -2.999 127 H PHE 17 H PHE 17 2.301 6.419 -2.722 128 HA PHE 17 HA PHE 17 0.698 5.690 -4.941 129 HB2 PHE 17 2HB PHE 17 -0.185 6.947 -2.333 130 HB3 PHE 17 1HB PHE 17 -1.230 6.130 -3.491 131 HD1 PHE 17 1HD PHE 17 -0.485 5.607 -0.442 132 HD2 PHE 17 2HD PHE 17 0.579 3.799 -4.145 133 HE1 PHE 17 1HE PHE 17 -0.048 3.486 0.715 134 HE2 PHE 17 2HE PHE 17 1.013 1.672 -2.982 135 HZ PHE 17 HZ PHE 17 0.701 1.520 -0.556 136 H GLN 18 H GLN 18 1.437 8.790 -3.426 137 HA GLN 18 HA GLN 18 -0.301 10.350 -4.993 138 HB2 GLN 18 2HB GLN 18 2.266 10.986 -3.557 139 HB3 GLN 18 1HB GLN 18 1.364 12.206 -4.444 140 HG2 GLN 18 2HG GLN 18 0.272 10.566 -2.171 141 HG3 GLN 18 1HG GLN 18 0.881 12.216 -2.034 142 HE21 GLN 18 1HE2 GLN 18 -0.288 13.894 -2.959 143 HE22 GLN 18 2HE2 GLN 18 -1.955 13.726 -3.388 144 H ARG 19 H ARG 19 3.006 9.253 -5.491 145 HA ARG 19 HA ARG 19 3.488 10.597 -7.929 146 HB2 ARG 19 2HB ARG 19 5.202 9.417 -6.494 147 HB3 ARG 19 1HB ARG 19 4.559 7.895 -7.090 148 HG2 ARG 19 2HG ARG 19 5.072 8.813 -9.425 149 HG3 ARG 19 1HG ARG 19 6.053 10.013 -8.584 150 HD2 ARG 19 2HD ARG 19 6.369 7.018 -8.506 151 HD3 ARG 19 1HD ARG 19 7.462 8.181 -9.249 152 HE ARG 19 HE ARG 19 7.264 8.848 -6.552 153 HH11 ARG 19 1HH1 ARG 19 8.447 6.201 -8.516 154 HH12 ARG 19 2HH1 ARG 19 9.614 5.663 -7.358 155 HH21 ARG 19 1HH2 ARG 19 8.807 8.158 -4.995 156 HH22 ARG 19 2HH2 ARG 19 9.824 6.796 -5.335 157 H LEU 20 H LEU 20 2.179 7.438 -7.120 158 HA LEU 20 HA LEU 20 1.793 6.435 -9.701 159 HB2 LEU 20 2HB LEU 20 1.712 5.112 -7.604 160 HB3 LEU 20 1HB LEU 20 0.181 5.865 -7.213 161 HG LEU 20 HG LEU 20 -0.784 4.838 -9.274 162 HD11 LEU 20 1HD1 LEU 20 1.257 4.544 -10.547 163 HD12 LEU 20 2HD1 LEU 20 0.442 2.997 -10.325 164 HD13 LEU 20 3HD1 LEU 20 1.858 3.394 -9.353 165 HD21 LEU 20 1HD2 LEU 20 -0.936 2.581 -8.339 166 HD22 LEU 20 2HD2 LEU 20 -1.100 3.812 -7.086 167 HD23 LEU 20 3HD2 LEU 20 0.419 2.934 -7.266 168 H ARG 21 H ARG 21 -0.230 8.452 -7.651 169 HA ARG 21 HA ARG 21 -2.639 8.359 -9.054 170 HB2 ARG 21 2HB ARG 21 -2.382 9.385 -6.855 171 HB3 ARG 21 1HB ARG 21 -1.415 10.671 -7.560 172 HG2 ARG 21 2HG ARG 21 -3.441 11.194 -9.000 173 HG3 ARG 21 1HG ARG 21 -4.343 10.140 -7.907 174 HD2 ARG 21 2HD ARG 21 -3.627 11.502 -6.018 175 HD3 ARG 21 1HD ARG 21 -2.749 12.564 -7.117 176 HE ARG 21 HE ARG 21 -5.681 12.236 -7.075 177 HH11 ARG 21 1HH1 ARG 21 -2.835 14.147 -7.896 178 HH12 ARG 21 2HH1 ARG 21 -3.736 15.608 -8.113 179 HH21 ARG 21 1HH2 ARG 21 -6.863 14.174 -7.411 180 HH22 ARG 21 2HH2 ARG 21 -6.020 15.622 -7.851 181 H GLU 22 H GLU 22 0.118 10.551 -9.455 182 HA GLU 22 HA GLU 22 -1.079 12.058 -11.542 183 HB2 GLU 22 2HB GLU 22 1.848 11.746 -10.862 184 HB3 GLU 22 1HB GLU 22 1.157 12.997 -11.886 185 HG2 GLU 22 2HG GLU 22 0.726 12.612 -8.935 186 HG3 GLU 22 1HG GLU 22 1.577 13.933 -9.735 187 H ILE 23 H ILE 23 1.127 9.329 -11.470 188 HA ILE 23 HA ILE 23 1.580 9.131 -14.242 189 HB ILE 23 HB ILE 23 1.653 7.037 -12.064 190 HG12 ILE 23 2HG1 ILE 23 3.882 8.525 -13.463 191 HG13 ILE 23 1HG1 ILE 23 3.241 8.940 -11.876 192 HG21 ILE 23 1HG2 ILE 23 2.700 6.845 -14.881 193 HG22 ILE 23 2HG2 ILE 23 1.313 5.972 -14.236 194 HG23 ILE 23 3HG2 ILE 23 2.929 5.649 -13.608 195 HD11 ILE 23 1HD1 ILE 23 5.311 7.691 -11.707 196 HD12 ILE 23 2HD1 ILE 23 4.592 6.359 -12.613 197 HD13 ILE 23 3HD1 ILE 23 3.963 6.785 -11.022 198 H PHE 24 H PHE 24 -0.822 7.676 -12.113 199 HA PHE 24 HA PHE 24 -2.176 6.087 -13.968 200 HB2 PHE 24 2HB PHE 24 -2.586 5.797 -11.626 201 HB3 PHE 24 1HB PHE 24 -3.082 7.473 -11.441 202 HD1 PHE 24 1HD PHE 24 -4.046 4.306 -13.127 203 HD2 PHE 24 2HD PHE 24 -5.323 8.029 -11.514 204 HE1 PHE 24 1HE PHE 24 -6.384 3.632 -13.433 205 HE2 PHE 24 2HE PHE 24 -7.670 7.365 -11.817 206 HZ PHE 24 HZ PHE 24 -8.208 5.166 -12.774 207 H ASP 25 H ASP 25 -2.654 9.465 -13.029 208 HA ASP 25 HA ASP 25 -4.915 9.932 -14.667 209 HB2 ASP 25 2HB ASP 25 -4.385 11.409 -12.809 210 HB3 ASP 25 1HB ASP 25 -2.863 11.861 -13.566 211 H LYS 26 H LYS 26 -1.459 10.133 -15.234 212 HA LYS 26 HA LYS 26 -1.701 11.369 -17.804 213 HB2 LYS 26 2HB LYS 26 0.288 11.675 -16.416 214 HB3 LYS 26 1HB LYS 26 0.605 9.948 -16.463 215 HG2 LYS 26 2HG LYS 26 0.892 10.117 -18.905 216 HG3 LYS 26 1HG LYS 26 0.704 11.866 -18.769 217 HD2 LYS 26 2HD LYS 26 2.655 11.968 -17.305 218 HD3 LYS 26 1HD LYS 26 2.833 10.216 -17.407 219 HE2 LYS 26 2HE LYS 26 3.189 10.403 -19.825 220 HE3 LYS 26 1HE LYS 26 3.026 12.155 -19.709 221 HZ1 LYS 26 1HZ LYS 26 4.964 12.159 -18.232 222 HZ2 LYS 26 2HZ LYS 26 5.332 11.543 -19.759 223 HZ3 LYS 26 3HZ LYS 26 5.142 10.495 -18.452 224 H GLY 27 H GLY 27 -1.971 8.184 -16.583 225 HA2 GLY 27 2HA GLY 27 -2.449 6.196 -17.636 226 HA3 GLY 27 1HA GLY 27 -2.595 7.095 -19.140 227 H ASP 28 H ASP 28 0.303 7.219 -17.215 228 HA ASP 28 HA ASP 28 1.805 6.143 -19.455 229 HB2 ASP 28 2HB ASP 28 2.560 8.192 -18.227 230 HB3 ASP 28 1HB ASP 28 2.867 7.180 -16.821 231 H ASP 29 H ASP 29 1.430 3.990 -19.509 232 HA ASP 29 HA ASP 29 1.335 2.303 -17.252 233 HB2 ASP 29 2HB ASP 29 1.386 0.446 -18.872 234 HB3 ASP 29 1HB ASP 29 0.231 1.690 -19.330 235 H ASP 30 H ASP 30 4.013 3.452 -19.140 236 HA ASP 30 HA ASP 30 5.836 1.353 -18.633 237 HB2 ASP 30 2HB ASP 30 6.207 3.009 -20.393 238 HB3 ASP 30 1HB ASP 30 6.364 4.279 -19.186 239 H SER 31 H SER 31 5.491 4.524 -17.026 240 HA SER 31 HA SER 31 7.348 3.807 -14.981 241 HB2 SER 31 2HB SER 31 6.591 5.918 -13.872 242 HB3 SER 31 1HB SER 31 7.196 6.118 -15.513 243 HG SER 31 HG SER 31 5.020 6.181 -16.226 244 H LEU 32 H LEU 32 3.911 3.540 -15.332 245 HA LEU 32 HA LEU 32 3.143 3.536 -12.646 246 HB2 LEU 32 2HB LEU 32 1.748 3.580 -14.831 247 HB3 LEU 32 1HB LEU 32 1.817 1.836 -14.740 248 HG LEU 32 HG LEU 32 0.725 3.483 -12.469 249 HD11 LEU 32 1HD1 LEU 32 -0.778 2.403 -14.847 250 HD12 LEU 32 2HD1 LEU 32 -0.519 4.103 -14.457 251 HD13 LEU 32 3HD1 LEU 32 -1.506 3.096 -13.398 252 HD21 LEU 32 1HD2 LEU 32 1.266 1.144 -11.991 253 HD22 LEU 32 2HD2 LEU 32 0.258 0.632 -13.345 254 HD23 LEU 32 3HD2 LEU 32 -0.475 1.421 -11.948 255 H GLU 33 H GLU 33 4.012 0.769 -14.746 256 HA GLU 33 HA GLU 33 3.736 -1.124 -12.662 257 HB2 GLU 33 2HB GLU 33 5.261 -1.288 -15.257 258 HB3 GLU 33 1HB GLU 33 5.066 -2.640 -14.147 259 HG2 GLU 33 2HG GLU 33 2.496 -1.864 -14.443 260 HG3 GLU 33 1HG GLU 33 3.154 -1.438 -16.022 261 H GLN 34 H GLN 34 6.433 0.812 -13.773 262 HA GLN 34 HA GLN 34 8.448 -0.461 -12.279 263 HB2 GLN 34 2HB GLN 34 8.222 2.382 -13.268 264 HB3 GLN 34 1HB GLN 34 9.669 1.724 -12.518 265 HG2 GLN 34 2HG GLN 34 9.862 0.077 -14.293 266 HG3 GLN 34 1HG GLN 34 8.384 0.684 -15.031 267 HE21 GLN 34 1HE2 GLN 34 9.425 1.172 -16.927 268 HE22 GLN 34 2HE2 GLN 34 10.509 2.509 -17.083 269 H VAL 35 H VAL 35 6.218 2.152 -11.483 270 HA VAL 35 HA VAL 35 7.310 2.684 -8.915 271 HB VAL 35 HB VAL 35 4.528 3.227 -9.997 272 HG11 VAL 35 1HG1 VAL 35 4.298 4.819 -8.143 273 HG12 VAL 35 2HG1 VAL 35 5.853 4.293 -7.499 274 HG13 VAL 35 3HG1 VAL 35 4.495 3.169 -7.550 275 HG21 VAL 35 1HG2 VAL 35 6.955 4.987 -9.695 276 HG22 VAL 35 2HG2 VAL 35 5.364 5.526 -10.227 277 HG23 VAL 35 3HG2 VAL 35 6.280 4.382 -11.209 278 H LEU 36 H LEU 36 4.879 0.416 -10.097 279 HA LEU 36 HA LEU 36 3.895 -0.440 -7.607 280 HB2 LEU 36 2HB LEU 36 4.249 -2.026 -10.158 281 HB3 LEU 36 1HB LEU 36 3.315 -2.562 -8.777 282 HG LEU 36 HG LEU 36 2.691 -0.177 -10.521 283 HD11 LEU 36 1HD1 LEU 36 2.266 -2.304 -11.622 284 HD12 LEU 36 2HD1 LEU 36 0.756 -1.489 -11.220 285 HD13 LEU 36 3HD1 LEU 36 1.315 -2.843 -10.238 286 HD21 LEU 36 1HD2 LEU 36 0.588 -0.076 -9.236 287 HD22 LEU 36 2HD2 LEU 36 2.002 0.255 -8.240 288 HD23 LEU 36 3HD2 LEU 36 1.211 -1.319 -8.150 289 H GLU 37 H GLU 37 6.742 -1.350 -9.441 290 HA GLU 37 HA GLU 37 7.653 -3.470 -7.824 291 HB2 GLU 37 2HB GLU 37 8.603 -3.044 -10.019 292 HB3 GLU 37 1HB GLU 37 9.159 -1.459 -9.507 293 HG2 GLU 37 2HG GLU 37 10.614 -2.642 -7.826 294 HG3 GLU 37 1HG GLU 37 10.192 -4.144 -8.648 295 H GLU 38 H GLU 38 8.231 0.011 -7.751 296 HA GLU 38 HA GLU 38 10.003 0.046 -5.565 297 HB2 GLU 38 2HB GLU 38 8.172 2.167 -6.684 298 HB3 GLU 38 1HB GLU 38 9.383 2.481 -5.456 299 HG2 GLU 38 2HG GLU 38 11.145 1.836 -6.987 300 HG3 GLU 38 1HG GLU 38 9.948 1.424 -8.214 301 H ILE 39 H ILE 39 6.502 0.414 -5.797 302 HA ILE 39 HA ILE 39 5.992 0.930 -3.090 303 HB ILE 39 HB ILE 39 4.237 -0.487 -5.119 304 HG12 ILE 39 2HG1 ILE 39 4.230 2.388 -4.173 305 HG13 ILE 39 1HG1 ILE 39 4.892 1.832 -5.706 306 HG21 ILE 39 1HG2 ILE 39 2.358 0.038 -3.642 307 HG22 ILE 39 2HG2 ILE 39 3.470 0.721 -2.458 308 HG23 ILE 39 3HG2 ILE 39 3.529 -1.001 -2.829 309 HD11 ILE 39 1HD1 ILE 39 2.008 1.655 -4.858 310 HD12 ILE 39 2HD1 ILE 39 2.667 1.100 -6.396 311 HD13 ILE 39 3HD1 ILE 39 2.691 2.816 -5.994 312 H GLU 40 H GLU 40 6.430 -2.091 -4.864 313 HA GLU 40 HA GLU 40 5.636 -3.857 -2.830 314 HB2 GLU 40 2HB GLU 40 5.926 -4.658 -5.089 315 HB3 GLU 40 1HB GLU 40 7.633 -4.237 -5.064 316 HG2 GLU 40 2HG GLU 40 8.059 -5.925 -3.388 317 HG3 GLU 40 1HG GLU 40 6.343 -6.312 -3.308 318 H GLU 41 H GLU 41 8.765 -2.375 -3.531 319 HA GLU 41 HA GLU 41 10.301 -3.686 -1.607 320 HB2 GLU 41 2HB GLU 41 10.463 -1.064 -3.013 321 HB3 GLU 41 1HB GLU 41 11.521 -1.343 -1.641 322 HG2 GLU 41 2HG GLU 41 11.342 -3.153 -4.030 323 HG3 GLU 41 1HG GLU 41 12.535 -1.867 -3.839 324 H LEU 42 H LEU 42 8.316 -0.788 -1.404 325 HA LEU 42 HA LEU 42 8.907 -0.176 1.294 326 HB2 LEU 42 2HB LEU 42 6.462 0.509 -0.335 327 HB3 LEU 42 1HB LEU 42 6.924 1.263 1.179 328 HG LEU 42 HG LEU 42 8.524 1.408 -1.377 329 HD11 LEU 42 1HD1 LEU 42 7.780 3.732 -1.473 330 HD12 LEU 42 2HD1 LEU 42 6.754 3.464 -0.064 331 HD13 LEU 42 3HD1 LEU 42 6.420 2.615 -1.574 332 HD21 LEU 42 1HD2 LEU 42 9.913 1.579 0.609 333 HD22 LEU 42 2HD2 LEU 42 8.846 2.816 1.270 334 HD23 LEU 42 3HD2 LEU 42 9.782 3.146 -0.187 335 H ILE 43 H ILE 43 6.389 -2.088 -0.268 336 HA ILE 43 HA ILE 43 4.817 -2.638 1.990 337 HB ILE 43 HB ILE 43 5.283 -4.338 -0.476 338 HG12 ILE 43 2HG1 ILE 43 3.024 -2.449 0.219 339 HG13 ILE 43 1HG1 ILE 43 4.350 -2.071 -0.873 340 HG21 ILE 43 1HG2 ILE 43 4.417 -5.719 1.328 341 HG22 ILE 43 2HG2 ILE 43 3.170 -5.461 0.108 342 HG23 ILE 43 3HG2 ILE 43 3.123 -4.558 1.623 343 HD11 ILE 43 1HD1 ILE 43 2.336 -2.661 -2.089 344 HD12 ILE 43 2HD1 ILE 43 2.288 -4.228 -1.279 345 HD13 ILE 43 3HD1 ILE 43 3.612 -3.845 -2.380 346 H GLN 44 H GLN 44 7.563 -4.421 0.594 347 HA GLN 44 HA GLN 44 7.581 -6.511 2.490 348 HB2 GLN 44 2HB GLN 44 9.875 -5.373 0.881 349 HB3 GLN 44 1HB GLN 44 9.919 -6.889 1.768 350 HG2 GLN 44 2HG GLN 44 8.094 -7.733 0.334 351 HG3 GLN 44 1HG GLN 44 8.174 -6.237 -0.595 352 HE21 GLN 44 1HE2 GLN 44 8.748 -7.294 -2.476 353 HE22 GLN 44 2HE2 GLN 44 10.314 -7.977 -2.721 354 H LYS 45 H LYS 45 9.167 -3.372 2.391 355 HA LYS 45 HA LYS 45 10.800 -3.632 4.653 356 HB2 LYS 45 2HB LYS 45 10.983 -1.818 2.981 357 HB3 LYS 45 1HB LYS 45 9.460 -1.153 3.549 358 HG2 LYS 45 2HG LYS 45 10.522 -0.816 5.781 359 HG3 LYS 45 1HG LYS 45 12.055 -1.317 5.063 360 HD2 LYS 45 2HD LYS 45 11.805 0.518 3.395 361 HD3 LYS 45 1HD LYS 45 10.364 1.051 4.258 362 HE2 LYS 45 2HE LYS 45 12.246 2.388 4.953 363 HE3 LYS 45 1HE LYS 45 11.743 1.354 6.290 364 HZ1 LYS 45 1HZ LYS 45 14.134 1.378 6.069 365 HZ2 LYS 45 2HZ LYS 45 14.033 0.848 4.468 366 HZ3 LYS 45 3HZ LYS 45 13.541 -0.165 5.727 367 H HIS 46 H HIS 46 7.495 -2.406 4.292 368 HA HIS 46 HA HIS 46 7.125 -1.720 7.008 369 HB2 HIS 46 2HB HIS 46 5.725 -0.865 5.125 370 HB3 HIS 46 1HB HIS 46 5.003 -2.463 4.982 371 HD1 HIS 46 1HD HIS 46 2.996 -2.914 6.456 372 HD2 HIS 46 2HD HIS 46 5.148 0.435 7.637 373 HE1 HIS 46 1HE HIS 46 1.650 -1.817 8.290 374 H ARG 47 H ARG 47 6.351 -4.621 5.143 375 HA ARG 47 HA ARG 47 4.970 -6.010 7.157 376 HB2 ARG 47 2HB ARG 47 4.921 -6.670 4.801 377 HB3 ARG 47 1HB ARG 47 6.626 -7.087 4.871 378 HG2 ARG 47 2HG ARG 47 5.991 -8.771 6.662 379 HG3 ARG 47 1HG ARG 47 4.315 -8.479 6.188 380 HD2 ARG 47 2HD ARG 47 5.191 -10.414 5.017 381 HD3 ARG 47 1HD ARG 47 4.882 -9.101 3.879 382 HE ARG 47 HE ARG 47 7.598 -9.344 4.922 383 HH11 ARG 47 1HH1 ARG 47 5.384 -9.952 2.274 384 HH12 ARG 47 2HH1 ARG 47 6.638 -10.153 1.105 385 HH21 ARG 47 1HH2 ARG 47 9.255 -9.613 3.383 386 HH22 ARG 47 2HH2 ARG 47 8.853 -9.971 1.735 387 H GLN 48 H GLN 48 8.401 -5.961 6.270 388 HA GLN 48 HA GLN 48 9.147 -7.933 8.156 389 HB2 GLN 48 2HB GLN 48 10.415 -6.473 6.087 390 HB3 GLN 48 1HB GLN 48 11.367 -6.253 7.550 391 HG2 GLN 48 2HG GLN 48 12.120 -8.171 6.230 392 HG3 GLN 48 1HG GLN 48 11.562 -8.641 7.833 393 HE21 GLN 48 1HE2 GLN 48 11.103 -10.727 7.293 394 HE22 GLN 48 2HE2 GLN 48 9.802 -11.177 6.249 395 H LEU 49 H LEU 49 9.199 -4.386 8.246 396 HA LEU 49 HA LEU 49 10.476 -4.158 10.743 397 HB2 LEU 49 2HB LEU 49 8.524 -2.327 9.360 398 HB3 LEU 49 1HB LEU 49 9.345 -1.908 10.847 399 HG LEU 49 HG LEU 49 10.709 -2.494 8.219 400 HD11 LEU 49 1HD1 LEU 49 9.473 -0.423 8.106 401 HD12 LEU 49 2HD1 LEU 49 11.202 -0.084 8.214 402 HD13 LEU 49 3HD1 LEU 49 10.173 0.109 9.633 403 HD21 LEU 49 1HD2 LEU 49 11.792 -1.522 10.862 404 HD22 LEU 49 2HD2 LEU 49 12.705 -1.589 9.357 405 HD23 LEU 49 3HD2 LEU 49 12.122 -3.078 10.100 406 H PHE 50 H PHE 50 7.049 -4.397 9.891 407 HA PHE 50 HA PHE 50 6.123 -4.146 12.563 408 HB2 PHE 50 2HB PHE 50 4.682 -3.688 10.616 409 HB3 PHE 50 1HB PHE 50 4.747 -5.389 10.170 410 HD1 PHE 50 1HD PHE 50 3.822 -3.207 13.049 411 HD2 PHE 50 2HD PHE 50 3.044 -6.780 10.870 412 HE1 PHE 50 1HE PHE 50 1.859 -3.640 14.467 413 HE2 PHE 50 2HE PHE 50 1.079 -7.217 12.284 414 HZ PHE 50 HZ PHE 50 0.484 -5.647 14.085 415 H ASP 51 H ASP 51 6.929 -6.913 10.509 416 HA ASP 51 HA ASP 51 6.018 -8.864 12.351 417 HB2 ASP 51 2HB ASP 51 6.294 -9.423 9.993 418 HB3 ASP 51 1HB ASP 51 8.027 -9.136 10.109 419 H ASN 52 H ASN 52 9.069 -7.226 11.872 420 HA ASN 52 HA ASN 52 10.699 -8.800 13.524 421 HB2 ASN 52 2HB ASN 52 11.587 -7.065 12.023 422 HB3 ASN 52 1HB ASN 52 10.843 -5.818 13.018 423 HD21 ASN 52 1HD2 ASN 52 13.397 -8.131 12.766 424 HD22 ASN 52 2HD2 ASN 52 14.337 -7.549 14.093 425 H ARG 53 H ARG 53 8.422 -6.249 14.245 426 HA ARG 53 HA ARG 53 9.104 -5.836 16.957 427 HB2 ARG 53 2HB ARG 53 7.698 -4.262 15.685 428 HB3 ARG 53 1HB ARG 53 6.426 -5.473 15.587 429 HG2 ARG 53 2HG ARG 53 6.427 -5.454 18.131 430 HG3 ARG 53 1HG ARG 53 7.407 -3.994 18.006 431 HD2 ARG 53 2HD ARG 53 5.655 -2.887 16.758 432 HD3 ARG 53 1HD ARG 53 4.688 -4.363 16.754 433 HE ARG 53 HE ARG 53 5.239 -2.652 19.083 434 HH11 ARG 53 1HH1 ARG 53 3.444 -5.274 17.620 435 HH12 ARG 53 2HH1 ARG 53 2.327 -5.432 18.935 436 HH21 ARG 53 1HH2 ARG 53 3.767 -2.838 20.828 437 HH22 ARG 53 2HH2 ARG 53 2.526 -4.044 20.777 438 H GLN 54 H GLN 54 7.360 -8.314 15.326 439 HA GLN 54 HA GLN 54 6.452 -10.276 15.969 440 HB2 GLN 54 2HB GLN 54 8.338 -10.524 17.517 441 HB3 GLN 54 1HB GLN 54 7.478 -9.585 18.729 442 HG2 GLN 54 2HG GLN 54 5.715 -11.324 18.748 443 HG3 GLN 54 1HG GLN 54 6.704 -12.282 17.648 444 HE21 GLN 54 1HE2 GLN 54 5.790 -12.894 20.321 445 HE22 GLN 54 2HE2 GLN 54 7.206 -13.183 21.272 446 H GLU 55 H GLU 55 4.359 -9.982 15.614 447 HA GLU 55 HA GLU 55 2.611 -9.576 17.847 448 HB2 GLU 55 2HB GLU 55 3.244 -7.231 17.204 449 HB3 GLU 55 1HB GLU 55 2.495 -7.516 15.640 450 HG2 GLU 55 2HG GLU 55 0.926 -6.346 16.969 451 HG3 GLU 55 1HG GLU 55 0.363 -8.013 16.850 452 H ALA 56 H ALA 56 3.135 -10.054 14.430 453 HA ALA 56 HA ALA 56 0.414 -11.146 14.199 454 HB1 ALA 56 1HB ALA 56 0.856 -9.237 12.734 455 HB2 ALA 56 2HB ALA 56 0.560 -10.707 11.809 456 HB3 ALA 56 3HB ALA 56 2.206 -10.108 12.008 457 H ALA 57 H ALA 57 3.792 -11.783 13.795 458 HA ALA 57 HA ALA 57 5.005 -13.638 13.423 459 HB1 ALA 57 1HB ALA 57 2.409 -15.169 13.647 460 HB2 ALA 57 2HB ALA 57 3.481 -14.771 14.989 461 HB3 ALA 57 3HB ALA 57 4.034 -15.852 13.712 462 H ASP 58 H ASP 58 5.035 -15.668 11.825 463 HA ASP 58 HA ASP 58 5.159 -14.478 9.291 464 HB2 ASP 58 2HB ASP 58 6.622 -16.308 9.901 465 HB3 ASP 58 1HB ASP 58 5.249 -17.404 10.017 466 H THR 59 H THR 59 2.728 -16.715 10.610 467 HA THR 59 HA THR 59 1.456 -17.189 8.137 468 HB THR 59 HB THR 59 0.287 -17.396 10.920 469 HG1 THR 59 1HG THR 59 2.122 -18.878 9.520 470 HG21 THR 59 1HG2 THR 59 -1.263 -19.015 9.897 471 HG22 THR 59 2HG2 THR 59 -0.569 -18.669 8.314 472 HG23 THR 59 3HG2 THR 59 -1.445 -17.412 9.186 473 H GLU 60 H GLU 60 0.710 -14.828 10.715 474 HA GLU 60 HA GLU 60 -1.573 -13.823 9.309 475 HB2 GLU 60 2HB GLU 60 -1.405 -13.726 11.764 476 HB3 GLU 60 1HB GLU 60 -0.071 -12.593 11.620 477 HG2 GLU 60 2HG GLU 60 -2.044 -11.365 12.138 478 HG3 GLU 60 1HG GLU 60 -1.614 -11.021 10.465 479 H ALA 61 H ALA 61 1.813 -12.862 9.599 480 HA ALA 61 HA ALA 61 1.570 -10.321 8.408 481 HB1 ALA 61 1HB ALA 61 3.570 -11.011 9.637 482 HB2 ALA 61 2HB ALA 61 3.982 -10.460 8.013 483 HB3 ALA 61 3HB ALA 61 3.945 -12.184 8.376 484 H ALA 62 H ALA 62 2.196 -13.511 7.013 485 HA ALA 62 HA ALA 62 2.490 -12.623 4.344 486 HB1 ALA 62 1HB ALA 62 2.173 -14.964 3.731 487 HB2 ALA 62 2HB ALA 62 1.586 -15.319 5.355 488 HB3 ALA 62 3HB ALA 62 3.260 -14.821 5.113 489 H LYS 63 H LYS 63 -0.261 -13.572 6.292 490 HA LYS 63 HA LYS 63 -2.184 -13.721 4.226 491 HB2 LYS 63 2HB LYS 63 -2.399 -14.681 6.527 492 HB3 LYS 63 1HB LYS 63 -2.613 -13.050 7.137 493 HG2 LYS 63 2HG LYS 63 -4.635 -12.813 5.796 494 HG3 LYS 63 1HG LYS 63 -4.423 -14.459 5.195 495 HD2 LYS 63 2HD LYS 63 -4.479 -15.226 7.589 496 HD3 LYS 63 1HD LYS 63 -4.954 -13.585 8.028 497 HE2 LYS 63 2HE LYS 63 -6.913 -14.982 7.840 498 HE3 LYS 63 1HE LYS 63 -6.909 -13.783 6.547 499 HZ1 LYS 63 1HZ LYS 63 -6.003 -16.593 6.252 500 HZ2 LYS 63 2HZ LYS 63 -6.129 -15.453 5.014 501 HZ3 LYS 63 3HZ LYS 63 -7.519 -16.020 5.788 502 H GLN 64 H GLN 64 -1.250 -11.138 6.463 503 HA GLN 64 HA GLN 64 -3.129 -9.239 5.508 504 HB2 GLN 64 2HB GLN 64 -0.536 -8.870 7.014 505 HB3 GLN 64 1HB GLN 64 -1.694 -7.583 6.712 506 HG2 GLN 64 2HG GLN 64 -3.370 -8.732 8.017 507 HG3 GLN 64 1HG GLN 64 -2.290 -10.104 8.247 508 HE21 GLN 64 1HE2 GLN 64 0.051 -8.388 8.623 509 HE22 GLN 64 2HE2 GLN 64 -0.107 -7.714 10.206 510 H GLY 65 H GLY 65 0.234 -9.948 4.717 511 HA2 GLY 65 2HA GLY 65 0.656 -7.746 3.003 512 HA3 GLY 65 1HA GLY 65 1.570 -9.248 2.995 513 H ASP 66 H ASP 66 -0.548 -11.017 2.413 514 HA ASP 66 HA ASP 66 -0.553 -10.901 -0.394 515 HB2 ASP 66 2HB ASP 66 -0.809 -13.006 0.784 516 HB3 ASP 66 1HB ASP 66 -2.338 -12.468 1.471 517 H GLN 67 H GLN 67 -3.025 -10.009 1.965 518 HA GLN 67 HA GLN 67 -5.058 -9.400 0.104 519 HB2 GLN 67 2HB GLN 67 -4.560 -8.546 2.945 520 HB3 GLN 67 1HB GLN 67 -5.945 -7.963 2.033 521 HG2 GLN 67 2HG GLN 67 -5.333 -10.867 2.510 522 HG3 GLN 67 1HG GLN 67 -6.429 -9.902 3.498 523 HE21 GLN 67 1HE2 GLN 67 -6.927 -12.258 1.823 524 HE22 GLN 67 2HE2 GLN 67 -8.178 -11.788 0.724 525 H TRP 68 H TRP 68 -2.476 -7.496 1.524 526 HA TRP 68 HA TRP 68 -3.329 -5.013 0.519 527 HB2 TRP 68 2HB TRP 68 -1.859 -5.271 2.453 528 HB3 TRP 68 1HB TRP 68 -0.619 -5.975 1.427 529 HD1 TRP 68 HD TRP 68 1.141 -4.379 0.703 530 HE1 TRP 68 1HE TRP 68 1.365 -1.811 0.463 531 HE3 TRP 68 3HE TRP 68 -3.629 -3.060 1.868 532 HZ2 TRP 68 2HZ TRP 68 -0.284 0.452 0.735 533 HZ3 TRP 68 3HZ TRP 68 -4.237 -0.681 1.855 534 HH2 TRP 68 HH TRP 68 -2.601 1.038 1.300 535 H VAL 69 H VAL 69 -0.995 -7.437 -0.629 536 HA VAL 69 HA VAL 69 -0.096 -5.921 -2.846 537 HB VAL 69 HB VAL 69 0.036 -8.910 -2.378 538 HG11 VAL 69 1HG1 VAL 69 0.234 -8.413 -4.764 539 HG12 VAL 69 2HG1 VAL 69 1.783 -8.937 -4.101 540 HG13 VAL 69 3HG1 VAL 69 1.494 -7.228 -4.421 541 HG21 VAL 69 1HG2 VAL 69 1.237 -7.606 -0.711 542 HG22 VAL 69 2HG2 VAL 69 2.075 -6.720 -1.986 543 HG23 VAL 69 3HG2 VAL 69 2.371 -8.444 -1.770 544 H GLN 70 H GLN 70 -2.659 -8.369 -2.529 545 HA GLN 70 HA GLN 70 -3.161 -8.582 -5.291 546 HB2 GLN 70 2HB GLN 70 -5.275 -9.648 -4.738 547 HB3 GLN 70 1HB GLN 70 -3.982 -10.276 -3.733 548 HG2 GLN 70 2HG GLN 70 -4.751 -8.918 -1.877 549 HG3 GLN 70 1HG GLN 70 -6.027 -8.243 -2.889 550 HE21 GLN 70 1HE2 GLN 70 -4.879 -11.098 -1.257 551 HE22 GLN 70 2HE2 GLN 70 -6.373 -11.960 -1.304 552 H LEU 71 H LEU 71 -4.145 -6.182 -2.979 553 HA LEU 71 HA LEU 71 -6.291 -5.032 -4.331 554 HB2 LEU 71 2HB LEU 71 -5.247 -4.571 -1.986 555 HB3 LEU 71 1HB LEU 71 -4.213 -3.448 -2.837 556 HG LEU 71 HG LEU 71 -7.207 -3.286 -2.907 557 HD11 LEU 71 1HD1 LEU 71 -5.292 -1.883 -1.046 558 HD12 LEU 71 2HD1 LEU 71 -6.490 -3.097 -0.594 559 HD13 LEU 71 3HD1 LEU 71 -7.012 -1.524 -1.198 560 HD21 LEU 71 1HD2 LEU 71 -5.061 -1.248 -3.508 561 HD22 LEU 71 2HD2 LEU 71 -6.799 -0.957 -3.570 562 HD23 LEU 71 3HD2 LEU 71 -6.053 -2.087 -4.700 563 H PHE 72 H PHE 72 -2.789 -4.483 -4.585 564 HA PHE 72 HA PHE 72 -2.970 -2.498 -6.617 565 HB2 PHE 72 2HB PHE 72 -0.658 -4.283 -5.830 566 HB3 PHE 72 1HB PHE 72 -0.539 -2.914 -6.931 567 HD1 PHE 72 1HD PHE 72 -0.514 -3.984 -3.527 568 HD2 PHE 72 2HD PHE 72 -1.106 -0.620 -6.055 569 HE1 PHE 72 1HE PHE 72 -0.150 -2.488 -1.612 570 HE2 PHE 72 2HE PHE 72 -0.740 0.884 -4.147 571 HZ PHE 72 HZ PHE 72 -0.262 -0.052 -1.920 572 H GLN 73 H GLN 73 -2.698 -5.974 -6.594 573 HA GLN 73 HA GLN 73 -2.160 -6.410 -9.311 574 HB2 GLN 73 2HB GLN 73 -2.099 -8.104 -7.418 575 HB3 GLN 73 1HB GLN 73 -3.849 -8.160 -7.505 576 HG2 GLN 73 2HG GLN 73 -2.122 -8.800 -9.878 577 HG3 GLN 73 1HG GLN 73 -2.525 -10.006 -8.662 578 HE21 GLN 73 1HE2 GLN 73 -3.190 -10.005 -11.456 579 HE22 GLN 73 2HE2 GLN 73 -4.914 -10.038 -11.561 580 H ARG 74 H ARG 74 -5.216 -6.105 -7.534 581 HA ARG 74 HA ARG 74 -6.941 -6.428 -9.745 582 HB2 ARG 74 2HB ARG 74 -7.379 -4.901 -7.172 583 HB3 ARG 74 1HB ARG 74 -8.640 -5.302 -8.327 584 HG2 ARG 74 2HG ARG 74 -7.006 -7.239 -6.704 585 HG3 ARG 74 1HG ARG 74 -8.704 -6.824 -6.464 586 HD2 ARG 74 2HD ARG 74 -9.090 -7.665 -8.826 587 HD3 ARG 74 1HD ARG 74 -7.458 -8.331 -8.750 588 HE ARG 74 HE ARG 74 -9.608 -9.069 -6.875 589 HH11 ARG 74 1HH1 ARG 74 -6.823 -9.948 -8.842 590 HH12 ARG 74 2HH1 ARG 74 -6.939 -11.629 -8.455 591 HH21 ARG 74 1HH2 ARG 74 -9.729 -11.291 -6.357 592 HH22 ARG 74 2HH2 ARG 74 -8.585 -12.394 -7.039 593 H PHE 75 H PHE 75 -5.341 -3.632 -8.359 594 HA PHE 75 HA PHE 75 -6.654 -1.610 -9.781 595 HB2 PHE 75 2HB PHE 75 -5.141 -1.239 -7.839 596 HB3 PHE 75 1HB PHE 75 -3.770 -1.665 -8.850 597 HD1 PHE 75 1HD PHE 75 -6.446 0.822 -8.332 598 HD2 PHE 75 2HD PHE 75 -2.770 -0.069 -10.282 599 HE1 PHE 75 1HE PHE 75 -6.232 3.179 -8.998 600 HE2 PHE 75 2HE PHE 75 -2.550 2.288 -10.950 601 HZ PHE 75 HZ PHE 75 -4.281 3.915 -10.308 602 H ARG 76 H ARG 76 -3.722 -3.437 -10.550 603 HA ARG 76 HA ARG 76 -3.205 -2.181 -13.023 604 HB2 ARG 76 2HB ARG 76 -1.492 -3.443 -11.835 605 HB3 ARG 76 1HB ARG 76 -2.416 -4.924 -12.025 606 HG2 ARG 76 2HG ARG 76 -2.090 -4.853 -14.427 607 HG3 ARG 76 1HG ARG 76 -1.231 -3.318 -14.282 608 HD2 ARG 76 2HD ARG 76 0.258 -5.304 -14.521 609 HD3 ARG 76 1HD ARG 76 0.551 -4.355 -13.066 610 HE ARG 76 HE ARG 76 -0.514 -6.062 -11.783 611 HH11 ARG 76 1HH1 ARG 76 0.123 -6.955 -15.125 612 HH12 ARG 76 2HH1 ARG 76 -0.012 -8.646 -14.827 613 HH21 ARG 76 1HH2 ARG 76 -0.660 -8.304 -11.390 614 HH22 ARG 76 2HH2 ARG 76 -0.450 -9.422 -12.692 615 H GLU 77 H GLU 77 -5.155 -4.977 -12.143 616 HA GLU 77 HA GLU 77 -5.709 -5.849 -14.786 617 HB2 GLU 77 2HB GLU 77 -7.224 -6.259 -12.210 618 HB3 GLU 77 1HB GLU 77 -7.598 -7.076 -13.720 619 HG2 GLU 77 2HG GLU 77 -4.931 -7.250 -12.360 620 HG3 GLU 77 1HG GLU 77 -6.246 -8.387 -12.079 621 H ALA 78 H ALA 78 -7.435 -3.750 -12.520 622 HA ALA 78 HA ALA 78 -9.731 -3.336 -14.063 623 HB1 ALA 78 1HB ALA 78 -10.106 -1.361 -12.671 624 HB2 ALA 78 2HB ALA 78 -8.448 -1.465 -12.077 625 HB3 ALA 78 3HB ALA 78 -9.601 -2.745 -11.702 626 H ILE 79 H ILE 79 -6.598 -1.725 -14.105 627 HA ILE 79 HA ILE 79 -7.266 0.402 -15.826 628 HB ILE 79 HB ILE 79 -4.614 -1.038 -15.530 629 HG12 ILE 79 2HG1 ILE 79 -5.599 1.537 -14.282 630 HG13 ILE 79 1HG1 ILE 79 -5.475 -0.009 -13.451 631 HG21 ILE 79 1HG2 ILE 79 -3.604 0.978 -16.502 632 HG22 ILE 79 2HG2 ILE 79 -5.213 1.644 -16.783 633 HG23 ILE 79 3HG2 ILE 79 -4.701 0.188 -17.635 634 HD11 ILE 79 1HD1 ILE 79 -3.611 1.437 -12.903 635 HD12 ILE 79 2HD1 ILE 79 -3.186 1.562 -14.610 636 HD13 ILE 79 3HD1 ILE 79 -3.058 0.012 -13.779 637 H ASP 80 H ASP 80 -6.062 -2.863 -16.479 638 HA ASP 80 HA ASP 80 -5.876 -2.587 -19.288 639 HB2 ASP 80 2HB ASP 80 -4.743 -4.369 -17.990 640 HB3 ASP 80 1HB ASP 80 -6.309 -5.112 -17.681 641 H LYS 81 H LYS 81 -8.466 -3.517 -17.135 642 HA LYS 81 HA LYS 81 -10.261 -4.354 -19.219 643 HB2 LYS 81 2HB LYS 81 -10.764 -3.639 -16.324 644 HB3 LYS 81 1HB LYS 81 -11.960 -4.329 -17.407 645 HG2 LYS 81 2HG LYS 81 -10.700 -6.371 -17.580 646 HG3 LYS 81 1HG LYS 81 -9.377 -5.674 -16.641 647 HD2 LYS 81 2HD LYS 81 -10.804 -7.160 -15.282 648 HD3 LYS 81 1HD LYS 81 -10.820 -5.498 -14.690 649 HE2 LYS 81 2HE LYS 81 -12.954 -5.116 -15.830 650 HE3 LYS 81 1HE LYS 81 -12.931 -6.772 -16.430 651 HZ1 LYS 81 1HZ LYS 81 -14.338 -6.481 -14.466 652 HZ2 LYS 81 2HZ LYS 81 -12.991 -6.011 -13.563 653 HZ3 LYS 81 3HZ LYS 81 -13.084 -7.578 -14.183 654 H GLY 82 H GLY 82 -9.232 -1.356 -18.030 655 HA2 GLY 82 2HA GLY 82 -9.908 0.794 -18.479 656 HA3 GLY 82 1HA GLY 82 -11.044 0.128 -19.649 657 H ASP 83 H ASP 83 -11.026 -0.922 -16.356 658 HA ASP 83 HA ASP 83 -13.777 -0.020 -16.080 659 HB2 ASP 83 2HB ASP 83 -12.925 -2.374 -15.507 660 HB3 ASP 83 1HB ASP 83 -12.226 -1.633 -14.071 661 H LYS 84 H LYS 84 -13.669 2.119 -15.677 662 HA LYS 84 HA LYS 84 -11.740 3.280 -13.950 663 HB2 LYS 84 2HB LYS 84 -14.237 4.442 -15.162 664 HB3 LYS 84 1HB LYS 84 -13.011 5.368 -14.304 665 HG2 LYS 84 2HG LYS 84 -11.353 4.774 -15.960 666 HG3 LYS 84 1HG LYS 84 -12.521 3.750 -16.794 667 HD2 LYS 84 2HD LYS 84 -13.906 5.713 -17.252 668 HD3 LYS 84 1HD LYS 84 -12.735 6.733 -16.413 669 HE2 LYS 84 2HE LYS 84 -12.431 6.843 -18.831 670 HE3 LYS 84 1HE LYS 84 -11.027 6.128 -18.043 671 HZ1 LYS 84 1HZ LYS 84 -11.703 4.939 -20.068 672 HZ2 LYS 84 2HZ LYS 84 -13.190 4.570 -19.359 673 HZ3 LYS 84 3HZ LYS 84 -11.760 3.951 -18.701 674 H ASP 85 H ASP 85 -15.062 2.216 -13.453 675 HA ASP 85 HA ASP 85 -15.388 3.649 -11.031 676 HB2 ASP 85 2HB ASP 85 -17.306 2.158 -10.546 677 HB3 ASP 85 1HB ASP 85 -17.375 2.843 -12.160 678 H SER 86 H SER 86 -14.078 0.466 -11.747 679 HA SER 86 HA SER 86 -13.690 -0.244 -9.021 680 HB2 SER 86 2HB SER 86 -12.147 -1.176 -11.456 681 HB3 SER 86 1HB SER 86 -12.172 -1.964 -9.879 682 HG SER 86 HG SER 86 -14.288 -1.668 -11.745 683 H LEU 87 H LEU 87 -11.759 1.442 -11.445 684 HA LEU 87 HA LEU 87 -9.336 1.593 -10.049 685 HB2 LEU 87 2HB LEU 87 -10.547 3.486 -12.062 686 HB3 LEU 87 1HB LEU 87 -8.898 3.605 -11.481 687 HG LEU 87 HG LEU 87 -10.015 1.226 -12.965 688 HD11 LEU 87 1HD1 LEU 87 -8.661 2.010 -14.849 689 HD12 LEU 87 2HD1 LEU 87 -8.266 3.473 -13.953 690 HD13 LEU 87 3HD1 LEU 87 -9.927 3.159 -14.436 691 HD21 LEU 87 1HD2 LEU 87 -7.216 1.961 -12.147 692 HD22 LEU 87 2HD2 LEU 87 -7.662 0.591 -13.164 693 HD23 LEU 87 3HD2 LEU 87 -8.193 0.651 -11.484 694 H GLU 88 H GLU 88 -12.035 3.909 -10.156 695 HA GLU 88 HA GLU 88 -10.922 5.766 -8.362 696 HB2 GLU 88 2HB GLU 88 -13.827 5.148 -8.895 697 HB3 GLU 88 1HB GLU 88 -13.232 6.571 -8.057 698 HG2 GLU 88 2HG GLU 88 -12.037 7.232 -10.111 699 HG3 GLU 88 1HG GLU 88 -12.750 5.843 -10.933 700 H GLN 89 H GLN 89 -13.056 2.979 -7.835 701 HA GLN 89 HA GLN 89 -13.498 3.377 -5.113 702 HB2 GLN 89 2HB GLN 89 -14.761 1.856 -6.659 703 HB3 GLN 89 1HB GLN 89 -13.406 0.738 -6.567 704 HG2 GLN 89 2HG GLN 89 -15.217 0.118 -5.085 705 HG3 GLN 89 1HG GLN 89 -13.736 0.484 -4.198 706 HE21 GLN 89 1HE2 GLN 89 -14.865 0.923 -2.296 707 HE22 GLN 89 2HE2 GLN 89 -15.796 2.366 -2.096 708 H LEU 90 H LEU 90 -10.983 1.609 -6.851 709 HA LEU 90 HA LEU 90 -9.755 0.485 -4.583 710 HB2 LEU 90 2HB LEU 90 -8.668 1.142 -7.313 711 HB3 LEU 90 1HB LEU 90 -7.743 0.294 -6.089 712 HG LEU 90 HG LEU 90 -10.359 -0.705 -7.214 713 HD11 LEU 90 1HD1 LEU 90 -9.018 -2.294 -8.478 714 HD12 LEU 90 2HD1 LEU 90 -7.545 -1.514 -7.901 715 HD13 LEU 90 3HD1 LEU 90 -8.656 -0.633 -8.951 716 HD21 LEU 90 1HD2 LEU 90 -8.256 -2.020 -5.497 717 HD22 LEU 90 2HD2 LEU 90 -9.662 -2.827 -6.187 718 HD23 LEU 90 3HD2 LEU 90 -9.880 -1.552 -4.990 719 H LEU 91 H LEU 91 -9.334 3.589 -6.199 720 HA LEU 91 HA LEU 91 -7.054 4.420 -4.750 721 HB2 LEU 91 2HB LEU 91 -9.260 6.060 -6.001 722 HB3 LEU 91 1HB LEU 91 -7.764 6.725 -5.381 723 HG LEU 91 HG LEU 91 -7.984 4.791 -7.689 724 HD11 LEU 91 1HD1 LEU 91 -7.359 6.706 -9.072 725 HD12 LEU 91 2HD1 LEU 91 -7.415 7.752 -7.653 726 HD13 LEU 91 3HD1 LEU 91 -8.890 6.983 -8.240 727 HD21 LEU 91 1HD2 LEU 91 -5.882 4.536 -6.494 728 HD22 LEU 91 2HD2 LEU 91 -5.615 6.277 -6.555 729 HD23 LEU 91 3HD2 LEU 91 -5.610 5.333 -8.044 730 H GLU 92 H GLU 92 -10.519 4.877 -4.199 731 HA GLU 92 HA GLU 92 -10.311 6.392 -1.828 732 HB2 GLU 92 2HB GLU 92 -12.493 4.518 -2.754 733 HB3 GLU 92 1HB GLU 92 -12.646 5.648 -1.420 734 HG2 GLU 92 2HG GLU 92 -12.376 7.516 -2.941 735 HG3 GLU 92 1HG GLU 92 -12.138 6.403 -4.289 736 H GLU 93 H GLU 93 -10.643 2.930 -2.419 737 HA GLU 93 HA GLU 93 -10.801 2.129 0.280 738 HB2 GLU 93 2HB GLU 93 -11.483 0.777 -1.729 739 HB3 GLU 93 1HB GLU 93 -9.778 0.495 -2.044 740 HG2 GLU 93 2HG GLU 93 -10.676 -1.411 -0.927 741 HG3 GLU 93 1HG GLU 93 -9.596 -0.571 0.184 742 H LEU 94 H LEU 94 -8.109 2.696 -1.893 743 HA LEU 94 HA LEU 94 -6.098 1.366 -0.472 744 HB2 LEU 94 2HB LEU 94 -5.936 2.224 -2.800 745 HB3 LEU 94 1HB LEU 94 -5.836 3.850 -2.164 746 HG LEU 94 HG LEU 94 -3.708 3.263 -1.048 747 HD11 LEU 94 1HD1 LEU 94 -4.033 0.648 -2.514 748 HD12 LEU 94 2HD1 LEU 94 -4.065 0.875 -0.766 749 HD13 LEU 94 3HD1 LEU 94 -2.581 1.178 -1.667 750 HD21 LEU 94 1HD2 LEU 94 -3.696 4.305 -3.251 751 HD22 LEU 94 2HD2 LEU 94 -3.802 2.718 -4.015 752 HD23 LEU 94 3HD2 LEU 94 -2.363 3.160 -3.095 753 H GLU 95 H GLU 95 -7.133 4.782 -0.311 754 HA GLU 95 HA GLU 95 -5.287 5.509 1.704 755 HB2 GLU 95 2HB GLU 95 -7.922 6.737 0.912 756 HB3 GLU 95 1HB GLU 95 -6.858 7.432 2.125 757 HG2 GLU 95 2HG GLU 95 -5.073 7.520 0.372 758 HG3 GLU 95 1HG GLU 95 -6.309 7.061 -0.802 759 H GLN 96 H GLN 96 -8.605 4.362 1.828 760 HA GLN 96 HA GLN 96 -8.948 4.660 4.609 761 HB2 GLN 96 2HB GLN 96 -10.321 2.829 2.641 762 HB3 GLN 96 1HB GLN 96 -10.846 3.070 4.301 763 HG2 GLN 96 2HG GLN 96 -10.685 5.201 2.180 764 HG3 GLN 96 1HG GLN 96 -12.155 4.406 2.742 765 HE21 GLN 96 1HE2 GLN 96 -12.967 4.905 4.764 766 HE22 GLN 96 2HE2 GLN 96 -12.468 6.303 5.646 767 H ALA 97 H ALA 97 -7.715 2.027 2.630 768 HA ALA 97 HA ALA 97 -7.503 0.125 4.706 769 HB1 ALA 97 1HB ALA 97 -5.947 -1.042 3.198 770 HB2 ALA 97 2HB ALA 97 -5.920 0.380 2.150 771 HB3 ALA 97 3HB ALA 97 -7.415 -0.527 2.366 772 H LEU 98 H LEU 98 -5.353 2.643 3.497 773 HA LEU 98 HA LEU 98 -3.063 1.968 4.985 774 HB2 LEU 98 2HB LEU 98 -4.059 4.596 3.912 775 HB3 LEU 98 1HB LEU 98 -2.531 4.447 4.753 776 HG LEU 98 HG LEU 98 -3.221 2.958 2.225 777 HD11 LEU 98 1HD1 LEU 98 -1.536 5.431 2.605 778 HD12 LEU 98 2HD1 LEU 98 -3.138 5.389 1.870 779 HD13 LEU 98 3HD1 LEU 98 -1.790 4.560 1.093 780 HD21 LEU 98 1HD2 LEU 98 -0.592 3.376 3.651 781 HD22 LEU 98 2HD2 LEU 98 -0.843 2.466 2.160 782 HD23 LEU 98 3HD2 LEU 98 -1.534 1.886 3.670 783 H GLN 99 H GLN 99 -5.855 3.971 5.743 784 HA GLN 99 HA GLN 99 -4.888 4.967 8.190 785 HB2 GLN 99 2HB GLN 99 -7.728 4.534 7.258 786 HB3 GLN 99 1HB GLN 99 -7.284 5.417 8.711 787 HG2 GLN 99 2HG GLN 99 -6.611 6.150 5.873 788 HG3 GLN 99 1HG GLN 99 -7.745 6.970 6.945 789 HE21 GLN 99 1HE2 GLN 99 -6.937 8.198 8.664 790 HE22 GLN 99 2HE2 GLN 99 -5.303 8.756 8.688 791 H LYS 100 H LYS 100 -6.829 2.136 7.387 792 HA LYS 100 HA LYS 100 -7.269 1.253 10.013 793 HB2 LYS 100 2HB LYS 100 -7.060 -0.331 7.456 794 HB3 LYS 100 1HB LYS 100 -7.676 -0.969 8.976 795 HG2 LYS 100 2HG LYS 100 -9.480 0.693 8.917 796 HG3 LYS 100 1HG LYS 100 -8.864 1.283 7.371 797 HD2 LYS 100 2HD LYS 100 -9.195 -0.989 6.431 798 HD3 LYS 100 1HD LYS 100 -9.931 -1.476 7.961 799 HE2 LYS 100 2HE LYS 100 -11.653 -0.910 6.353 800 HE3 LYS 100 1HE LYS 100 -11.643 0.264 7.667 801 HZ1 LYS 100 1HZ LYS 100 -11.858 1.341 5.529 802 HZ2 LYS 100 2HZ LYS 100 -10.415 0.647 4.995 803 HZ3 LYS 100 3HZ LYS 100 -10.395 1.778 6.251 804 H ILE 101 H ILE 101 -4.695 0.475 7.692 805 HA ILE 101 HA ILE 101 -3.332 -1.404 9.268 806 HB ILE 101 HB ILE 101 -2.215 0.491 7.182 807 HG12 ILE 101 2HG1 ILE 101 -3.031 -2.417 6.965 808 HG13 ILE 101 1HG1 ILE 101 -3.972 -1.056 6.368 809 HG21 ILE 101 1HG2 ILE 101 -0.438 -0.328 8.629 810 HG22 ILE 101 2HG2 ILE 101 -0.321 -1.066 7.031 811 HG23 ILE 101 3HG2 ILE 101 -0.979 -1.987 8.382 812 HD11 ILE 101 1HD1 ILE 101 -1.234 -1.862 5.408 813 HD12 ILE 101 2HD1 ILE 101 -2.177 -0.500 4.806 814 HD13 ILE 101 3HD1 ILE 101 -2.758 -2.147 4.570 815 H ARG 102 H ARG 102 -2.955 2.103 8.996 816 HA ARG 102 HA ARG 102 -0.757 2.412 10.707 817 HB2 ARG 102 2HB ARG 102 -3.030 4.241 9.978 818 HB3 ARG 102 1HB ARG 102 -1.730 4.743 11.041 819 HG2 ARG 102 2HG ARG 102 -0.112 4.454 9.291 820 HG3 ARG 102 1HG ARG 102 -1.340 3.764 8.224 821 HD2 ARG 102 2HD ARG 102 -0.814 6.167 7.768 822 HD3 ARG 102 1HD ARG 102 -2.513 5.843 8.109 823 HE ARG 102 HE ARG 102 -1.428 6.503 10.535 824 HH11 ARG 102 1HH1 ARG 102 -1.637 8.104 7.416 825 HH12 ARG 102 2HH1 ARG 102 -1.669 9.693 8.098 826 HH21 ARG 102 1HH2 ARG 102 -1.518 8.609 11.426 827 HH22 ARG 102 2HH2 ARG 102 -1.604 9.982 10.371 828 H GLU 103 H GLU 103 -4.230 2.520 11.373 829 HA GLU 103 HA GLU 103 -4.000 3.208 14.086 830 HB2 GLU 103 2HB GLU 103 -6.246 1.804 12.643 831 HB3 GLU 103 1HB GLU 103 -6.355 2.489 14.258 832 HG2 GLU 103 2HG GLU 103 -5.746 4.048 11.756 833 HG3 GLU 103 1HG GLU 103 -7.326 3.940 12.528 834 H LEU 104 H LEU 104 -4.338 0.027 12.519 835 HA LEU 104 HA LEU 104 -4.434 -1.292 15.033 836 HB2 LEU 104 2HB LEU 104 -4.222 -3.393 13.779 837 HB3 LEU 104 1HB LEU 104 -5.555 -2.371 13.300 838 HG LEU 104 HG LEU 104 -3.860 -1.608 11.428 839 HD11 LEU 104 1HD1 LEU 104 -2.920 -4.400 12.085 840 HD12 LEU 104 2HD1 LEU 104 -1.970 -2.923 12.256 841 HD13 LEU 104 3HD1 LEU 104 -2.478 -3.465 10.656 842 HD21 LEU 104 1HD2 LEU 104 -4.886 -3.271 9.996 843 HD22 LEU 104 2HD2 LEU 104 -6.040 -2.607 11.165 844 HD23 LEU 104 3HD2 LEU 104 -5.349 -4.206 11.424 845 H ALA 105 H ALA 105 -1.827 -0.541 12.797 846 HA ALA 105 HA ALA 105 0.014 -2.343 14.035 847 HB1 ALA 105 1HB ALA 105 0.179 -1.643 11.676 848 HB2 ALA 105 2HB ALA 105 1.671 -1.423 12.588 849 HB3 ALA 105 3HB ALA 105 0.650 -0.031 12.221 850 H GLU 106 H GLU 106 -0.745 1.077 14.518 851 HA GLU 106 HA GLU 106 1.517 1.279 16.349 852 HB2 GLU 106 2HB GLU 106 -0.466 3.364 15.446 853 HB3 GLU 106 1HB GLU 106 0.816 3.665 16.608 854 HG2 GLU 106 2HG GLU 106 2.397 2.828 14.756 855 HG3 GLU 106 1HG GLU 106 1.024 3.086 13.682 856 H LYS 107 H LYS 107 -1.873 0.812 16.400 857 HA LYS 107 HA LYS 107 -3.421 0.522 18.012 858 HB2 LYS 107 2HB LYS 107 -1.029 -0.058 19.748 859 HB3 LYS 107 1HB LYS 107 -2.695 -0.427 20.167 860 HG2 LYS 107 2HG LYS 107 -2.785 -1.888 18.141 861 HG3 LYS 107 1HG LYS 107 -1.053 -1.626 17.954 862 HD2 LYS 107 2HD LYS 107 -2.358 -2.796 20.416 863 HD3 LYS 107 1HD LYS 107 -1.631 -3.748 19.126 864 HE2 LYS 107 2HE LYS 107 0.018 -3.630 20.795 865 HE3 LYS 107 1HE LYS 107 0.515 -2.448 19.593 866 HZ1 LYS 107 1HZ LYS 107 -1.055 -1.681 21.988 867 HZ2 LYS 107 2HZ LYS 107 -0.131 -0.684 20.983 868 HZ3 LYS 107 3HZ LYS 107 0.627 -1.776 22.015 869 H LYS 108 H LYS 108 -4.508 2.298 18.520 870 HA LYS 108 HA LYS 108 -3.294 4.522 19.836 871 HB2 LYS 108 2HB LYS 108 -6.193 3.908 19.269 872 HB3 LYS 108 1HB LYS 108 -5.610 5.428 19.933 873 HG2 LYS 108 2HG LYS 108 -4.256 5.736 17.870 874 HG3 LYS 108 1HG LYS 108 -5.020 4.289 17.210 875 HD2 LYS 108 2HD LYS 108 -6.473 6.771 18.121 876 HD3 LYS 108 1HD LYS 108 -6.108 6.363 16.445 877 HE2 LYS 108 2HE LYS 108 -7.797 4.695 18.310 878 HE3 LYS 108 1HE LYS 108 -8.426 5.803 17.092 879 HZ1 LYS 108 1HZ LYS 108 -7.290 4.493 15.401 880 HZ2 LYS 108 2HZ LYS 108 -8.427 3.570 16.248 881 HZ3 LYS 108 3HZ LYS 108 -6.783 3.388 16.580 882 H ASN 109 H ASN 109 -2.565 4.027 21.806 883 HA ASN 109 HA ASN 109 -4.566 3.528 23.824 884 HB2 ASN 109 2HB ASN 109 -2.958 1.823 24.939 885 HB3 ASN 109 1HB ASN 109 -3.957 1.276 23.603 886 HD21 ASN 109 1HD2 ASN 109 -0.978 3.165 23.402 887 HD22 ASN 109 2HD2 ASN 109 -0.062 1.961 22.548 Start of MODEL 20 1 H1 SER 1 1HT SER 1 8.908 10.050 18.100 2 H2 SER 1 2HT SER 1 10.543 10.321 18.436 3 H3 SER 1 3HT SER 1 9.617 9.351 19.462 4 HA SER 1 HA SER 1 10.245 8.764 16.648 5 HB2 SER 1 2HB SER 1 11.397 7.607 19.196 6 HB3 SER 1 1HB SER 1 11.693 6.968 17.580 7 HG SER 1 HG SER 1 12.919 8.661 17.092 8 H GLU 2 H GLU 2 9.131 7.296 19.747 9 HA GLU 2 HA GLU 2 7.608 5.666 20.212 10 HB2 GLU 2 2HB GLU 2 6.458 6.305 17.478 11 HB3 GLU 2 1HB GLU 2 5.649 5.420 18.757 12 HG2 GLU 2 2HG GLU 2 5.294 7.331 20.016 13 HG3 GLU 2 1HG GLU 2 6.567 8.229 19.183 14 H PHE 3 H PHE 3 7.348 5.088 16.815 15 HA PHE 3 HA PHE 3 9.212 2.846 16.917 16 HB2 PHE 3 2HB PHE 3 6.497 2.841 15.553 17 HB3 PHE 3 1HB PHE 3 7.685 1.549 15.465 18 HD1 PHE 3 1HD PHE 3 4.964 2.972 17.326 19 HD2 PHE 3 2HD PHE 3 8.255 0.285 17.561 20 HE1 PHE 3 1HE PHE 3 3.971 1.938 19.326 21 HE2 PHE 3 2HE PHE 3 7.269 -0.754 19.559 22 HZ PHE 3 HZ PHE 3 5.126 0.071 20.445 23 H GLU 4 H GLU 4 10.662 4.320 16.026 24 HA GLU 4 HA GLU 4 10.086 6.116 13.977 25 HB2 GLU 4 2HB GLU 4 12.046 6.062 15.626 26 HB3 GLU 4 1HB GLU 4 12.822 5.000 14.461 27 HG2 GLU 4 2HG GLU 4 12.923 6.666 12.836 28 HG3 GLU 4 1HG GLU 4 11.748 7.678 13.676 29 H LYS 5 H LYS 5 11.205 2.788 13.819 30 HA LYS 5 HA LYS 5 11.887 2.772 11.084 31 HB2 LYS 5 2HB LYS 5 10.851 0.527 12.830 32 HB3 LYS 5 1HB LYS 5 11.519 0.306 11.219 33 HG2 LYS 5 2HG LYS 5 13.664 1.216 12.000 34 HG3 LYS 5 1HG LYS 5 12.990 1.382 13.621 35 HD2 LYS 5 2HD LYS 5 13.253 -1.216 12.101 36 HD3 LYS 5 1HD LYS 5 14.360 -0.659 13.354 37 HE2 LYS 5 2HE LYS 5 12.478 -0.644 14.960 38 HE3 LYS 5 1HE LYS 5 11.426 -1.281 13.698 39 HZ1 LYS 5 1HZ LYS 5 13.838 -2.632 14.778 40 HZ2 LYS 5 2HZ LYS 5 12.819 -3.251 13.581 41 HZ3 LYS 5 3HZ LYS 5 12.240 -3.034 15.152 42 H LEU 6 H LEU 6 8.848 2.194 12.775 43 HA LEU 6 HA LEU 6 7.365 1.605 10.407 44 HB2 LEU 6 2HB LEU 6 6.427 2.411 13.161 45 HB3 LEU 6 1HB LEU 6 5.378 1.859 11.872 46 HG LEU 6 HG LEU 6 7.529 0.214 13.211 47 HD11 LEU 6 1HD1 LEU 6 5.661 -1.058 14.137 48 HD12 LEU 6 2HD1 LEU 6 4.525 0.077 13.407 49 HD13 LEU 6 3HD1 LEU 6 5.628 0.622 14.671 50 HD21 LEU 6 1HD2 LEU 6 6.563 -1.659 11.948 51 HD22 LEU 6 2HD2 LEU 6 7.246 -0.430 10.885 52 HD23 LEU 6 3HD2 LEU 6 5.499 -0.532 11.106 53 H ARG 7 H ARG 7 7.989 4.480 12.329 54 HA ARG 7 HA ARG 7 6.106 6.181 11.106 55 HB2 ARG 7 2HB ARG 7 8.682 6.704 12.560 56 HB3 ARG 7 1HB ARG 7 7.752 8.016 11.856 57 HG2 ARG 7 2HG ARG 7 6.718 6.078 13.916 58 HG3 ARG 7 1HG ARG 7 7.308 7.708 14.251 59 HD2 ARG 7 2HD ARG 7 5.560 8.544 12.637 60 HD3 ARG 7 1HD ARG 7 4.899 6.912 12.627 61 HE ARG 7 HE ARG 7 5.114 7.706 15.282 62 HH11 ARG 7 1HH1 ARG 7 3.327 8.703 12.420 63 HH12 ARG 7 2HH1 ARG 7 1.982 9.314 13.329 64 HH21 ARG 7 1HH2 ARG 7 3.337 8.487 16.465 65 HH22 ARG 7 2HH2 ARG 7 1.979 9.192 15.631 66 H GLN 8 H GLN 8 9.545 5.613 10.372 67 HA GLN 8 HA GLN 8 9.673 7.464 8.251 68 HB2 GLN 8 2HB GLN 8 11.681 6.563 9.335 69 HB3 GLN 8 1HB GLN 8 11.319 4.968 8.687 70 HG2 GLN 8 2HG GLN 8 11.474 5.985 6.391 71 HG3 GLN 8 1HG GLN 8 12.100 7.439 7.163 72 HE21 GLN 8 1HE2 GLN 8 13.359 5.657 5.250 73 HE22 GLN 8 2HE2 GLN 8 14.805 5.084 6.002 74 H THR 9 H THR 9 9.043 3.980 8.310 75 HA THR 9 HA THR 9 8.873 3.724 5.500 76 HB THR 9 HB THR 9 7.632 1.910 7.579 77 HG1 THR 9 1HG THR 9 9.741 1.878 8.102 78 HG21 THR 9 1HG2 THR 9 8.576 1.397 4.748 79 HG22 THR 9 2HG2 THR 9 6.893 1.482 5.270 80 HG23 THR 9 3HG2 THR 9 7.933 0.183 5.854 81 H GLY 10 H GLY 10 6.475 4.345 8.025 82 HA2 GLY 10 2HA GLY 10 4.167 4.107 6.444 83 HA3 GLY 10 1HA GLY 10 4.314 5.101 7.888 84 H ASP 11 H ASP 11 6.247 6.892 7.117 85 HA ASP 11 HA ASP 11 4.766 8.723 5.514 86 HB2 ASP 11 2HB ASP 11 6.322 9.438 7.307 87 HB3 ASP 11 1HB ASP 11 7.674 8.837 6.353 88 H GLU 12 H GLU 12 7.502 6.620 4.979 89 HA GLU 12 HA GLU 12 8.296 7.460 2.434 90 HB2 GLU 12 2HB GLU 12 9.544 5.952 3.973 91 HB3 GLU 12 1HB GLU 12 8.391 4.682 3.613 92 HG2 GLU 12 2HG GLU 12 9.117 4.607 1.329 93 HG3 GLU 12 1HG GLU 12 10.183 5.991 1.589 94 H LEU 13 H LEU 13 5.861 5.116 3.476 95 HA LEU 13 HA LEU 13 5.092 4.185 0.935 96 HB2 LEU 13 2HB LEU 13 3.590 4.409 3.539 97 HB3 LEU 13 1HB LEU 13 2.874 3.712 2.102 98 HG LEU 13 HG LEU 13 5.350 2.643 3.460 99 HD11 LEU 13 1HD1 LEU 13 3.377 2.406 4.881 100 HD12 LEU 13 2HD1 LEU 13 3.900 0.845 4.245 101 HD13 LEU 13 3HD1 LEU 13 2.504 1.659 3.543 102 HD21 LEU 13 1HD2 LEU 13 4.959 0.690 2.041 103 HD22 LEU 13 2HD2 LEU 13 5.240 2.140 1.077 104 HD23 LEU 13 3HD2 LEU 13 3.603 1.517 1.276 105 H VAL 14 H VAL 14 3.939 6.873 2.917 106 HA VAL 14 HA VAL 14 1.808 7.682 1.304 107 HB VAL 14 HB VAL 14 3.588 9.380 3.074 108 HG11 VAL 14 1HG1 VAL 14 0.866 9.994 1.930 109 HG12 VAL 14 2HG1 VAL 14 2.380 10.775 1.480 110 HG13 VAL 14 3HG1 VAL 14 1.729 10.984 3.106 111 HG21 VAL 14 1HG2 VAL 14 0.925 8.063 3.606 112 HG22 VAL 14 2HG2 VAL 14 1.782 9.129 4.719 113 HG23 VAL 14 3HG2 VAL 14 2.481 7.572 4.275 114 H GLN 15 H GLN 15 5.232 8.526 1.183 115 HA GLN 15 HA GLN 15 5.087 10.511 -0.796 116 HB2 GLN 15 2HB GLN 15 7.331 8.556 -0.269 117 HB3 GLN 15 1HB GLN 15 7.469 10.057 -1.172 118 HG2 GLN 15 2HG GLN 15 6.973 11.334 0.827 119 HG3 GLN 15 1HG GLN 15 6.746 9.843 1.743 120 HE21 GLN 15 1HE2 GLN 15 8.379 10.342 3.195 121 HE22 GLN 15 2HE2 GLN 15 10.051 10.274 2.743 122 H ALA 16 H ALA 16 5.534 7.005 -1.048 123 HA ALA 16 HA ALA 16 5.804 6.971 -3.873 124 HB1 ALA 16 1HB ALA 16 4.985 4.739 -2.023 125 HB2 ALA 16 2HB ALA 16 6.642 5.167 -2.449 126 HB3 ALA 16 3HB ALA 16 5.542 4.560 -3.686 127 H PHE 17 H PHE 17 3.061 6.461 -1.695 128 HA PHE 17 HA PHE 17 1.213 5.811 -3.708 129 HB2 PHE 17 2HB PHE 17 0.930 6.725 -0.874 130 HB3 PHE 17 1HB PHE 17 -0.493 6.679 -1.912 131 HD1 PHE 17 1HD PHE 17 2.098 4.651 -0.272 132 HD2 PHE 17 2HD PHE 17 -1.430 4.589 -2.651 133 HE1 PHE 17 1HE PHE 17 1.866 2.230 0.136 134 HE2 PHE 17 2HE PHE 17 -1.662 2.172 -2.239 135 HZ PHE 17 HZ PHE 17 -0.011 0.998 -0.843 136 H GLN 18 H GLN 18 2.209 8.940 -2.391 137 HA GLN 18 HA GLN 18 0.295 10.519 -3.705 138 HB2 GLN 18 2HB GLN 18 3.142 11.112 -2.893 139 HB3 GLN 18 1HB GLN 18 2.074 12.321 -3.584 140 HG2 GLN 18 2HG GLN 18 1.617 10.818 -1.018 141 HG3 GLN 18 1HG GLN 18 2.162 12.489 -1.164 142 HE21 GLN 18 1HE2 GLN 18 0.703 14.060 -1.831 143 HE22 GLN 18 2HE2 GLN 18 -1.007 13.804 -1.797 144 H ARG 19 H ARG 19 3.378 9.188 -4.766 145 HA ARG 19 HA ARG 19 3.528 10.465 -7.277 146 HB2 ARG 19 2HB ARG 19 4.558 7.732 -6.475 147 HB3 ARG 19 1HB ARG 19 5.052 8.627 -7.904 148 HG2 ARG 19 2HG ARG 19 6.062 10.334 -6.538 149 HG3 ARG 19 1HG ARG 19 5.460 9.558 -5.072 150 HD2 ARG 19 2HD ARG 19 6.816 7.569 -5.597 151 HD3 ARG 19 1HD ARG 19 7.441 8.391 -7.026 152 HE ARG 19 HE ARG 19 7.984 10.102 -4.983 153 HH11 ARG 19 1HH1 ARG 19 8.721 6.687 -5.510 154 HH12 ARG 19 2HH1 ARG 19 10.232 6.780 -4.674 155 HH21 ARG 19 1HH2 ARG 19 9.968 10.186 -3.868 156 HH22 ARG 19 2HH2 ARG 19 10.938 8.757 -3.730 157 H LEU 20 H LEU 20 2.032 7.476 -6.194 158 HA LEU 20 HA LEU 20 1.166 6.474 -8.665 159 HB2 LEU 20 2HB LEU 20 1.158 5.244 -6.485 160 HB3 LEU 20 1HB LEU 20 -0.201 6.223 -5.979 161 HG LEU 20 HG LEU 20 -1.465 5.265 -7.964 162 HD11 LEU 20 1HD1 LEU 20 0.811 3.294 -7.919 163 HD12 LEU 20 2HD1 LEU 20 0.478 4.454 -9.203 164 HD13 LEU 20 3HD1 LEU 20 -0.670 3.157 -8.867 165 HD21 LEU 20 1HD2 LEU 20 -1.889 4.558 -5.674 166 HD22 LEU 20 2HD2 LEU 20 -0.563 3.400 -5.771 167 HD23 LEU 20 3HD2 LEU 20 -1.996 3.186 -6.776 168 H ARG 21 H ARG 21 -0.404 8.618 -6.328 169 HA ARG 21 HA ARG 21 -2.836 8.925 -7.730 170 HB2 ARG 21 2HB ARG 21 -1.487 10.731 -5.721 171 HB3 ARG 21 1HB ARG 21 -3.121 10.965 -6.310 172 HG2 ARG 21 2HG ARG 21 -2.116 8.595 -4.740 173 HG3 ARG 21 1HG ARG 21 -3.126 9.904 -4.130 174 HD2 ARG 21 2HD ARG 21 -3.853 7.823 -6.188 175 HD3 ARG 21 1HD ARG 21 -4.538 8.027 -4.577 176 HE ARG 21 HE ARG 21 -4.848 10.268 -6.406 177 HH11 ARG 21 1HH1 ARG 21 -6.332 7.469 -4.885 178 HH12 ARG 21 2HH1 ARG 21 -7.933 7.909 -5.370 179 HH21 ARG 21 1HH2 ARG 21 -6.945 10.832 -7.041 180 HH22 ARG 21 2HH2 ARG 21 -8.286 9.822 -6.621 181 H GLU 22 H GLU 22 0.139 10.892 -7.685 182 HA GLU 22 HA GLU 22 -0.752 12.966 -9.276 183 HB2 GLU 22 2HB GLU 22 1.231 13.057 -7.879 184 HB3 GLU 22 1HB GLU 22 2.006 11.827 -8.869 185 HG2 GLU 22 2HG GLU 22 1.911 13.303 -10.759 186 HG3 GLU 22 1HG GLU 22 1.164 14.540 -9.748 187 H ILE 23 H ILE 23 0.991 9.987 -10.122 188 HA ILE 23 HA ILE 23 1.167 10.578 -12.876 189 HB ILE 23 HB ILE 23 1.396 7.955 -11.398 190 HG12 ILE 23 2HG1 ILE 23 3.463 9.787 -12.637 191 HG13 ILE 23 1HG1 ILE 23 3.119 9.653 -10.917 192 HG21 ILE 23 1HG2 ILE 23 0.686 7.552 -13.711 193 HG22 ILE 23 2HG2 ILE 23 2.343 7.018 -13.433 194 HG23 ILE 23 3HG2 ILE 23 2.036 8.530 -14.291 195 HD11 ILE 23 1HD1 ILE 23 4.178 7.448 -12.663 196 HD12 ILE 23 2HD1 ILE 23 3.896 7.360 -10.926 197 HD13 ILE 23 3HD1 ILE 23 5.134 8.441 -11.565 198 H PHE 24 H PHE 24 -1.217 8.814 -10.955 199 HA PHE 24 HA PHE 24 -2.723 7.747 -13.064 200 HB2 PHE 24 2HB PHE 24 -3.066 7.059 -10.733 201 HB3 PHE 24 1HB PHE 24 -3.668 8.663 -10.333 202 HD1 PHE 24 1HD PHE 24 -4.383 5.610 -12.289 203 HD2 PHE 24 2HD PHE 24 -5.931 9.245 -10.704 204 HE1 PHE 24 1HE PHE 24 -6.662 4.886 -12.863 205 HE2 PHE 24 2HE PHE 24 -8.213 8.526 -11.275 206 HZ PHE 24 HZ PHE 24 -8.581 6.343 -12.356 207 H ASP 25 H ASP 25 -2.816 10.900 -11.499 208 HA ASP 25 HA ASP 25 -5.144 11.871 -12.758 209 HB2 ASP 25 2HB ASP 25 -4.127 12.922 -10.765 210 HB3 ASP 25 1HB ASP 25 -2.769 13.450 -11.753 211 H LYS 26 H LYS 26 -1.820 11.667 -13.798 212 HA LYS 26 HA LYS 26 -2.128 13.413 -16.048 213 HB2 LYS 26 2HB LYS 26 0.043 13.138 -15.008 214 HB3 LYS 26 1HB LYS 26 -0.001 11.404 -15.280 215 HG2 LYS 26 2HG LYS 26 0.091 11.783 -17.679 216 HG3 LYS 26 1HG LYS 26 0.137 13.525 -17.401 217 HD2 LYS 26 2HD LYS 26 2.237 13.283 -16.180 218 HD3 LYS 26 1HD LYS 26 2.183 11.536 -16.421 219 HE2 LYS 26 2HE LYS 26 2.363 11.820 -18.811 220 HE3 LYS 26 1HE LYS 26 2.287 13.572 -18.641 221 HZ1 LYS 26 1HZ LYS 26 4.372 13.507 -17.431 222 HZ2 LYS 26 2HZ LYS 26 4.552 12.811 -18.956 223 HZ3 LYS 26 3HZ LYS 26 4.448 11.828 -17.586 224 H GLY 27 H GLY 27 -2.852 10.167 -15.316 225 HA2 GLY 27 2HA GLY 27 -4.063 8.660 -16.569 226 HA3 GLY 27 1HA GLY 27 -3.968 9.769 -17.925 227 H ASP 28 H ASP 28 -0.938 9.028 -16.524 228 HA ASP 28 HA ASP 28 -0.333 7.427 -18.882 229 HB2 ASP 28 2HB ASP 28 1.196 9.305 -18.262 230 HB3 ASP 28 1HB ASP 28 1.627 8.414 -16.803 231 H ASP 29 H ASP 29 -1.162 5.490 -18.517 232 HA ASP 29 HA ASP 29 -1.146 4.071 -16.099 233 HB2 ASP 29 2HB ASP 29 -1.290 2.897 -18.882 234 HB3 ASP 29 1HB ASP 29 -1.872 2.162 -17.394 235 H ASP 30 H ASP 30 1.267 4.395 -18.577 236 HA ASP 30 HA ASP 30 2.724 2.029 -18.025 237 HB2 ASP 30 2HB ASP 30 3.544 4.624 -19.319 238 HB3 ASP 30 1HB ASP 30 4.644 3.259 -19.146 239 H SER 31 H SER 31 3.292 5.394 -16.967 240 HA SER 31 HA SER 31 5.405 4.683 -15.211 241 HB2 SER 31 2HB SER 31 3.599 7.110 -15.044 242 HB3 SER 31 1HB SER 31 5.199 6.936 -14.323 243 HG SER 31 HG SER 31 4.529 7.014 -17.074 244 H LEU 32 H LEU 32 1.948 4.838 -14.947 245 HA LEU 32 HA LEU 32 1.634 4.749 -12.164 246 HB2 LEU 32 2HB LEU 32 -0.121 5.162 -13.931 247 HB3 LEU 32 1HB LEU 32 -0.126 3.438 -14.229 248 HG LEU 32 HG LEU 32 -0.788 3.133 -11.812 249 HD11 LEU 32 1HD1 LEU 32 -0.067 5.323 -11.009 250 HD12 LEU 32 2HD1 LEU 32 -1.778 5.047 -10.685 251 HD13 LEU 32 3HD1 LEU 32 -1.290 6.095 -12.015 252 HD21 LEU 32 1HD2 LEU 32 -2.628 4.648 -13.659 253 HD22 LEU 32 2HD2 LEU 32 -3.136 3.721 -12.250 254 HD23 LEU 32 3HD2 LEU 32 -2.381 2.902 -13.615 255 H GLU 33 H GLU 33 1.936 2.163 -14.583 256 HA GLU 33 HA GLU 33 1.662 -0.014 -12.825 257 HB2 GLU 33 2HB GLU 33 1.513 -0.133 -15.317 258 HB3 GLU 33 1HB GLU 33 3.254 0.094 -15.395 259 HG2 GLU 33 2HG GLU 33 3.520 -1.974 -14.052 260 HG3 GLU 33 1HG GLU 33 1.779 -2.218 -14.172 261 H GLN 34 H GLN 34 4.417 1.919 -13.808 262 HA GLN 34 HA GLN 34 6.476 0.355 -12.703 263 HB2 GLN 34 2HB GLN 34 6.918 2.161 -14.272 264 HB3 GLN 34 1HB GLN 34 6.307 3.342 -13.124 265 HG2 GLN 34 2HG GLN 34 8.150 2.707 -11.584 266 HG3 GLN 34 1HG GLN 34 8.793 1.672 -12.859 267 HE21 GLN 34 1HE2 GLN 34 10.685 2.829 -13.023 268 HE22 GLN 34 2HE2 GLN 34 10.749 4.414 -13.715 269 H VAL 35 H VAL 35 4.440 2.887 -11.326 270 HA VAL 35 HA VAL 35 5.774 3.181 -8.869 271 HB VAL 35 HB VAL 35 2.811 3.549 -9.387 272 HG11 VAL 35 1HG1 VAL 35 4.605 4.651 -7.227 273 HG12 VAL 35 2HG1 VAL 35 3.300 3.482 -7.019 274 HG13 VAL 35 3HG1 VAL 35 2.933 5.137 -7.502 275 HG21 VAL 35 1HG2 VAL 35 4.119 4.859 -10.946 276 HG22 VAL 35 2HG2 VAL 35 5.073 5.521 -9.619 277 HG23 VAL 35 3HG2 VAL 35 3.356 5.901 -9.746 278 H LEU 36 H LEU 36 3.387 0.879 -9.985 279 HA LEU 36 HA LEU 36 2.564 -0.163 -7.522 280 HB2 LEU 36 2HB LEU 36 2.869 -1.675 -10.117 281 HB3 LEU 36 1HB LEU 36 1.866 -2.139 -8.759 282 HG LEU 36 HG LEU 36 1.442 0.270 -10.527 283 HD11 LEU 36 1HD1 LEU 36 -0.104 -2.305 -10.289 284 HD12 LEU 36 2HD1 LEU 36 0.928 -1.835 -11.640 285 HD13 LEU 36 3HD1 LEU 36 -0.541 -0.923 -11.294 286 HD21 LEU 36 1HD2 LEU 36 -0.664 0.543 -9.314 287 HD22 LEU 36 2HD2 LEU 36 0.723 0.709 -8.238 288 HD23 LEU 36 3HD2 LEU 36 -0.218 -0.783 -8.237 289 H GLU 37 H GLU 37 5.336 -0.960 -9.567 290 HA GLU 37 HA GLU 37 6.232 -3.188 -8.076 291 HB2 GLU 37 2HB GLU 37 7.063 -2.786 -10.319 292 HB3 GLU 37 1HB GLU 37 7.773 -1.257 -9.818 293 HG2 GLU 37 2HG GLU 37 9.315 -2.446 -8.352 294 HG3 GLU 37 1HG GLU 37 8.593 -3.979 -8.836 295 H GLU 38 H GLU 38 6.973 0.274 -7.886 296 HA GLU 38 HA GLU 38 8.929 0.115 -5.937 297 HB2 GLU 38 2HB GLU 38 8.552 2.043 -7.386 298 HB3 GLU 38 1HB GLU 38 6.982 2.306 -6.642 299 HG2 GLU 38 2HG GLU 38 7.960 2.869 -4.600 300 HG3 GLU 38 1HG GLU 38 9.555 2.364 -5.164 301 H ILE 39 H ILE 39 5.431 0.352 -5.811 302 HA ILE 39 HA ILE 39 5.153 0.714 -3.028 303 HB ILE 39 HB ILE 39 3.267 -0.616 -5.002 304 HG12 ILE 39 2HG1 ILE 39 3.772 1.732 -5.551 305 HG13 ILE 39 1HG1 ILE 39 2.098 1.531 -5.050 306 HG21 ILE 39 1HG2 ILE 39 2.749 -1.272 -2.717 307 HG22 ILE 39 2HG2 ILE 39 1.505 -0.201 -3.362 308 HG23 ILE 39 3HG2 ILE 39 2.704 0.421 -2.228 309 HD11 ILE 39 1HD1 ILE 39 4.342 2.614 -3.360 310 HD12 ILE 39 2HD1 ILE 39 2.672 2.399 -2.834 311 HD13 ILE 39 3HD1 ILE 39 3.052 3.549 -4.117 312 H GLU 40 H GLU 40 5.491 -2.166 -5.064 313 HA GLU 40 HA GLU 40 4.836 -4.137 -3.174 314 HB2 GLU 40 2HB GLU 40 6.822 -4.290 -5.446 315 HB3 GLU 40 1HB GLU 40 6.214 -5.670 -4.550 316 HG2 GLU 40 2HG GLU 40 3.944 -5.147 -5.348 317 HG3 GLU 40 1HG GLU 40 4.614 -3.821 -6.303 318 H GLU 41 H GLU 41 7.960 -2.664 -3.964 319 HA GLU 41 HA GLU 41 9.580 -4.176 -2.278 320 HB2 GLU 41 2HB GLU 41 9.914 -1.266 -2.998 321 HB3 GLU 41 1HB GLU 41 11.172 -2.369 -2.477 322 HG2 GLU 41 2HG GLU 41 10.842 -3.689 -4.522 323 HG3 GLU 41 1HG GLU 41 9.621 -2.529 -5.047 324 H LEU 42 H LEU 42 7.858 -1.148 -1.718 325 HA LEU 42 HA LEU 42 8.801 -0.765 0.918 326 HB2 LEU 42 2HB LEU 42 6.313 0.329 -0.377 327 HB3 LEU 42 1HB LEU 42 7.057 0.927 1.092 328 HG LEU 42 HG LEU 42 8.242 1.038 -1.677 329 HD11 LEU 42 1HD1 LEU 42 6.447 2.629 -1.338 330 HD12 LEU 42 2HD1 LEU 42 8.004 3.453 -1.411 331 HD13 LEU 42 3HD1 LEU 42 7.212 3.201 0.144 332 HD21 LEU 42 1HD2 LEU 42 9.993 0.695 -0.028 333 HD22 LEU 42 2HD2 LEU 42 9.355 2.017 0.951 334 HD23 LEU 42 3HD2 LEU 42 10.043 2.349 -0.639 335 H ILE 43 H ILE 43 5.902 -2.296 -0.399 336 HA ILE 43 HA ILE 43 4.543 -2.724 2.023 337 HB ILE 43 HB ILE 43 4.512 -4.340 -0.537 338 HG12 ILE 43 2HG1 ILE 43 2.499 -2.393 0.606 339 HG13 ILE 43 1HG1 ILE 43 3.684 -1.993 -0.631 340 HG21 ILE 43 1HG2 ILE 43 2.441 -5.379 0.293 341 HG22 ILE 43 2HG2 ILE 43 2.675 -4.582 1.848 342 HG23 ILE 43 3HG2 ILE 43 3.833 -5.792 1.294 343 HD11 ILE 43 1HD1 ILE 43 1.501 -4.046 -0.909 344 HD12 ILE 43 2HD1 ILE 43 2.651 -3.564 -2.158 345 HD13 ILE 43 3HD1 ILE 43 1.464 -2.406 -1.555 346 H GLN 44 H GLN 44 6.914 -4.744 0.327 347 HA GLN 44 HA GLN 44 6.924 -6.904 2.115 348 HB2 GLN 44 2HB GLN 44 7.927 -7.161 -0.032 349 HB3 GLN 44 1HB GLN 44 8.991 -5.788 0.225 350 HG2 GLN 44 2HG GLN 44 10.161 -7.044 1.967 351 HG3 GLN 44 1HG GLN 44 9.115 -8.429 1.649 352 HE21 GLN 44 1HE2 GLN 44 12.031 -8.091 1.405 353 HE22 GLN 44 2HE2 GLN 44 12.411 -8.530 -0.224 354 H LYS 45 H LYS 45 8.771 -3.922 1.988 355 HA LYS 45 HA LYS 45 10.527 -4.417 4.127 356 HB2 LYS 45 2HB LYS 45 10.994 -2.717 2.501 357 HB3 LYS 45 1HB LYS 45 9.498 -1.879 2.869 358 HG2 LYS 45 2HG LYS 45 10.382 -1.359 5.111 359 HG3 LYS 45 1HG LYS 45 11.905 -2.131 4.657 360 HD2 LYS 45 2HD LYS 45 12.209 -0.548 2.854 361 HD3 LYS 45 1HD LYS 45 10.644 0.187 3.199 362 HE2 LYS 45 2HE LYS 45 11.454 0.874 5.399 363 HE3 LYS 45 1HE LYS 45 13.015 0.127 5.058 364 HZ1 LYS 45 1HZ LYS 45 13.285 1.654 3.204 365 HZ2 LYS 45 2HZ LYS 45 13.086 2.495 4.654 366 HZ3 LYS 45 3HZ LYS 45 11.797 2.383 3.553 367 H HIS 46 H HIS 46 7.398 -2.728 3.977 368 HA HIS 46 HA HIS 46 7.384 -1.971 6.711 369 HB2 HIS 46 2HB HIS 46 6.004 -0.894 4.902 370 HB3 HIS 46 1HB HIS 46 4.981 -2.325 4.903 371 HD1 HIS 46 1HD HIS 46 2.850 -1.761 6.104 372 HD2 HIS 46 2HD HIS 46 6.175 -0.013 7.884 373 HE1 HIS 46 1HE HIS 46 1.999 -0.495 8.130 374 H ARG 47 H ARG 47 6.084 -4.740 4.948 375 HA ARG 47 HA ARG 47 4.651 -5.893 7.080 376 HB2 ARG 47 2HB ARG 47 4.558 -6.557 4.620 377 HB3 ARG 47 1HB ARG 47 6.045 -7.450 4.903 378 HG2 ARG 47 2HG ARG 47 4.519 -8.403 6.915 379 HG3 ARG 47 1HG ARG 47 3.284 -8.072 5.701 380 HD2 ARG 47 2HD ARG 47 4.031 -10.339 5.438 381 HD3 ARG 47 1HD ARG 47 4.621 -9.393 4.071 382 HE ARG 47 HE ARG 47 6.786 -9.662 4.823 383 HH11 ARG 47 1HH1 ARG 47 4.533 -10.978 7.176 384 HH12 ARG 47 2HH1 ARG 47 5.758 -11.708 8.161 385 HH21 ARG 47 1HH2 ARG 47 8.421 -10.655 6.101 386 HH22 ARG 47 2HH2 ARG 47 7.984 -11.538 7.525 387 H GLN 48 H GLN 48 8.011 -6.102 6.074 388 HA GLN 48 HA GLN 48 8.818 -8.202 7.757 389 HB2 GLN 48 2HB GLN 48 10.111 -7.314 5.826 390 HB3 GLN 48 1HB GLN 48 10.468 -5.876 6.768 391 HG2 GLN 48 2HG GLN 48 11.663 -7.235 8.397 392 HG3 GLN 48 1HG GLN 48 11.297 -8.684 7.460 393 HE21 GLN 48 1HE2 GLN 48 13.186 -5.798 7.646 394 HE22 GLN 48 2HE2 GLN 48 14.275 -6.182 6.358 395 H LEU 49 H LEU 49 8.755 -4.697 8.228 396 HA LEU 49 HA LEU 49 9.997 -4.653 10.752 397 HB2 LEU 49 2HB LEU 49 7.975 -2.759 9.565 398 HB3 LEU 49 1HB LEU 49 8.912 -2.438 11.010 399 HG LEU 49 HG LEU 49 10.076 -2.848 8.256 400 HD11 LEU 49 1HD1 LEU 49 10.517 -0.451 8.319 401 HD12 LEU 49 2HD1 LEU 49 9.660 -0.333 9.856 402 HD13 LEU 49 3HD1 LEU 49 8.789 -0.792 8.393 403 HD21 LEU 49 1HD2 LEU 49 11.595 -3.514 10.041 404 HD22 LEU 49 2HD2 LEU 49 11.342 -1.969 10.850 405 HD23 LEU 49 3HD2 LEU 49 12.143 -2.023 9.279 406 H PHE 50 H PHE 50 6.607 -4.915 9.805 407 HA PHE 50 HA PHE 50 5.609 -4.911 12.475 408 HB2 PHE 50 2HB PHE 50 4.221 -4.263 10.542 409 HB3 PHE 50 1HB PHE 50 4.312 -5.909 9.927 410 HD1 PHE 50 1HD PHE 50 3.172 -3.930 12.857 411 HD2 PHE 50 2HD PHE 50 2.713 -7.474 10.548 412 HE1 PHE 50 1HE PHE 50 1.165 -4.513 14.157 413 HE2 PHE 50 2HE PHE 50 0.710 -8.062 11.842 414 HZ PHE 50 HZ PHE 50 -0.068 -6.584 13.649 415 H ASP 51 H ASP 51 6.532 -7.404 10.178 416 HA ASP 51 HA ASP 51 5.580 -9.665 11.568 417 HB2 ASP 51 2HB ASP 51 6.342 -9.626 9.196 418 HB3 ASP 51 1HB ASP 51 7.996 -9.441 9.761 419 H ASN 52 H ASN 52 8.661 -7.952 11.627 420 HA ASN 52 HA ASN 52 9.904 -9.672 13.526 421 HB2 ASN 52 2HB ASN 52 11.223 -8.282 11.986 422 HB3 ASN 52 1HB ASN 52 10.576 -6.824 12.728 423 HD21 ASN 52 1HD2 ASN 52 11.416 -6.111 14.654 424 HD22 ASN 52 2HD2 ASN 52 12.804 -6.820 15.401 425 H ARG 53 H ARG 53 7.856 -6.872 13.706 426 HA ARG 53 HA ARG 53 8.338 -6.146 16.382 427 HB2 ARG 53 2HB ARG 53 7.168 -4.644 14.859 428 HB3 ARG 53 1HB ARG 53 5.853 -5.798 14.691 429 HG2 ARG 53 2HG ARG 53 5.233 -3.968 16.169 430 HG3 ARG 53 1HG ARG 53 5.280 -5.499 17.046 431 HD2 ARG 53 2HD ARG 53 7.578 -4.908 17.809 432 HD3 ARG 53 1HD ARG 53 7.367 -3.325 17.061 433 HE ARG 53 HE ARG 53 5.216 -3.586 18.705 434 HH11 ARG 53 1HH1 ARG 53 8.689 -3.779 19.159 435 HH12 ARG 53 2HH1 ARG 53 8.625 -3.251 20.808 436 HH21 ARG 53 1HH2 ARG 53 5.147 -2.872 20.883 437 HH22 ARG 53 2HH2 ARG 53 6.617 -2.736 21.787 438 H GLN 54 H GLN 54 6.145 -8.475 14.905 439 HA GLN 54 HA GLN 54 4.879 -9.172 17.373 440 HB2 GLN 54 2HB GLN 54 5.005 -10.690 14.764 441 HB3 GLN 54 1HB GLN 54 3.981 -11.108 16.125 442 HG2 GLN 54 2HG GLN 54 2.843 -8.922 15.858 443 HG3 GLN 54 1HG GLN 54 3.807 -8.650 14.405 444 HE21 GLN 54 1HE2 GLN 54 0.920 -8.933 14.706 445 HE22 GLN 54 2HE2 GLN 54 0.460 -10.262 13.696 446 H GLU 55 H GLU 55 6.396 -11.570 15.338 447 HA GLU 55 HA GLU 55 8.575 -12.235 17.018 448 HB2 GLU 55 2HB GLU 55 7.691 -14.395 17.883 449 HB3 GLU 55 1HB GLU 55 6.857 -13.008 18.566 450 HG2 GLU 55 2HG GLU 55 5.002 -13.363 16.998 451 HG3 GLU 55 1HG GLU 55 5.841 -14.764 16.337 452 H ALA 56 H ALA 56 7.722 -11.847 14.223 453 HA ALA 56 HA ALA 56 8.027 -12.649 12.162 454 HB1 ALA 56 1HB ALA 56 9.626 -14.416 11.747 455 HB2 ALA 56 2HB ALA 56 9.556 -14.921 13.431 456 HB3 ALA 56 3HB ALA 56 10.249 -13.355 13.012 457 H ALA 57 H ALA 57 5.983 -13.045 11.633 458 HA ALA 57 HA ALA 57 5.086 -15.815 11.765 459 HB1 ALA 57 1HB ALA 57 4.089 -14.760 13.725 460 HB2 ALA 57 2HB ALA 57 2.847 -15.127 12.527 461 HB3 ALA 57 3HB ALA 57 3.429 -13.475 12.714 462 H ASP 58 H ASP 58 5.860 -15.426 9.538 463 HA ASP 58 HA ASP 58 4.605 -13.657 7.764 464 HB2 ASP 58 2HB ASP 58 6.739 -14.759 7.272 465 HB3 ASP 58 1HB ASP 58 5.921 -16.313 7.176 466 H THR 59 H THR 59 3.709 -16.829 8.902 467 HA THR 59 HA THR 59 1.757 -17.362 6.916 468 HB THR 59 HB THR 59 1.817 -18.463 9.739 469 HG1 THR 59 1HG THR 59 3.817 -18.709 8.436 470 HG21 THR 59 1HG2 THR 59 -0.255 -18.912 8.500 471 HG22 THR 59 2HG2 THR 59 0.681 -20.387 8.737 472 HG23 THR 59 3HG2 THR 59 0.688 -19.580 7.168 473 H GLU 60 H GLU 60 1.613 -15.822 10.119 474 HA GLU 60 HA GLU 60 -1.216 -15.454 10.102 475 HB2 GLU 60 2HB GLU 60 0.099 -15.426 12.191 476 HB3 GLU 60 1HB GLU 60 0.912 -13.961 11.657 477 HG2 GLU 60 2HG GLU 60 -1.302 -12.824 11.615 478 HG3 GLU 60 1HG GLU 60 -2.007 -14.276 12.319 479 H ALA 61 H ALA 61 1.555 -13.396 9.329 480 HA ALA 61 HA ALA 61 0.117 -11.058 8.711 481 HB1 ALA 61 1HB ALA 61 2.794 -11.950 7.642 482 HB2 ALA 61 2HB ALA 61 2.527 -11.077 9.151 483 HB3 ALA 61 3HB ALA 61 2.157 -10.305 7.608 484 H ALA 62 H ALA 62 0.816 -13.913 6.883 485 HA ALA 62 HA ALA 62 0.362 -12.984 4.289 486 HB1 ALA 62 1HB ALA 62 1.359 -15.166 4.796 487 HB2 ALA 62 2HB ALA 62 -0.006 -15.307 3.686 488 HB3 ALA 62 3HB ALA 62 -0.203 -15.734 5.387 489 H LYS 63 H LYS 63 -1.868 -13.930 6.825 490 HA LYS 63 HA LYS 63 -4.149 -14.300 5.215 491 HB2 LYS 63 2HB LYS 63 -4.075 -13.300 8.067 492 HB3 LYS 63 1HB LYS 63 -5.437 -14.064 7.258 493 HG2 LYS 63 2HG LYS 63 -4.112 -16.132 7.050 494 HG3 LYS 63 1HG LYS 63 -2.810 -15.358 7.953 495 HD2 LYS 63 2HD LYS 63 -4.344 -15.050 9.857 496 HD3 LYS 63 1HD LYS 63 -5.611 -15.880 8.951 497 HE2 LYS 63 2HE LYS 63 -4.088 -17.861 8.802 498 HE3 LYS 63 1HE LYS 63 -2.983 -17.024 9.888 499 HZ1 LYS 63 1HZ LYS 63 -5.783 -17.784 10.509 500 HZ2 LYS 63 2HZ LYS 63 -4.731 -16.978 11.561 501 HZ3 LYS 63 3HZ LYS 63 -4.398 -18.562 11.080 502 H GLN 64 H GLN 64 -2.935 -11.416 6.920 503 HA GLN 64 HA GLN 64 -5.018 -9.745 5.853 504 HB2 GLN 64 2HB GLN 64 -2.406 -8.898 7.129 505 HB3 GLN 64 1HB GLN 64 -3.795 -7.866 6.830 506 HG2 GLN 64 2HG GLN 64 -3.951 -8.341 9.090 507 HG3 GLN 64 1HG GLN 64 -5.067 -9.496 8.362 508 HE21 GLN 64 1HE2 GLN 64 -4.913 -10.943 10.053 509 HE22 GLN 64 2HE2 GLN 64 -3.485 -11.873 10.348 510 H GLY 65 H GLY 65 -1.678 -10.472 5.110 511 HA2 GLY 65 2HA GLY 65 -1.206 -8.503 3.181 512 HA3 GLY 65 1HA GLY 65 -0.372 -10.045 3.290 513 H ASP 66 H ASP 66 -2.697 -11.682 2.898 514 HA ASP 66 HA ASP 66 -2.701 -11.852 0.100 515 HB2 ASP 66 2HB ASP 66 -3.234 -13.839 1.204 516 HB3 ASP 66 1HB ASP 66 -4.419 -13.056 2.244 517 H GLN 67 H GLN 67 -5.039 -10.387 2.312 518 HA GLN 67 HA GLN 67 -6.906 -9.704 0.261 519 HB2 GLN 67 2HB GLN 67 -6.550 -8.573 3.043 520 HB3 GLN 67 1HB GLN 67 -7.924 -8.256 1.994 521 HG2 GLN 67 2HG GLN 67 -8.548 -10.594 2.056 522 HG3 GLN 67 1HG GLN 67 -7.128 -10.967 3.035 523 HE21 GLN 67 1HE2 GLN 67 -9.980 -11.330 3.600 524 HE22 GLN 67 2HE2 GLN 67 -10.277 -10.468 5.068 525 H TRP 68 H TRP 68 -4.285 -8.061 1.899 526 HA TRP 68 HA TRP 68 -4.650 -5.500 0.803 527 HB2 TRP 68 2HB TRP 68 -3.364 -5.778 2.792 528 HB3 TRP 68 1HB TRP 68 -2.298 -6.941 2.023 529 HD1 TRP 68 HD TRP 68 -0.098 -6.033 1.193 530 HE1 TRP 68 1HE TRP 68 0.913 -3.699 0.809 531 HE3 TRP 68 3HE TRP 68 -4.266 -3.201 2.003 532 HZ2 TRP 68 2HZ TRP 68 0.062 -1.017 0.837 533 HZ3 TRP 68 3HZ TRP 68 -4.080 -0.755 1.800 534 HH2 TRP 68 HH TRP 68 -1.963 0.310 1.230 535 H VAL 69 H VAL 69 -2.503 -8.183 -0.135 536 HA VAL 69 HA VAL 69 -1.426 -6.860 -2.396 537 HB VAL 69 HB VAL 69 -1.515 -9.816 -1.727 538 HG11 VAL 69 1HG1 VAL 69 0.073 -8.399 -3.872 539 HG12 VAL 69 2HG1 VAL 69 -1.261 -9.521 -4.139 540 HG13 VAL 69 3HG1 VAL 69 0.244 -10.094 -3.419 541 HG21 VAL 69 1HG2 VAL 69 -0.233 -8.480 -0.145 542 HG22 VAL 69 2HG2 VAL 69 0.681 -7.760 -1.470 543 HG23 VAL 69 3HG2 VAL 69 0.843 -9.481 -1.121 544 H GLN 70 H GLN 70 -4.185 -9.058 -1.970 545 HA GLN 70 HA GLN 70 -4.688 -9.464 -4.701 546 HB2 GLN 70 2HB GLN 70 -5.672 -10.780 -2.797 547 HB3 GLN 70 1HB GLN 70 -6.765 -9.431 -2.519 548 HG2 GLN 70 2HG GLN 70 -7.705 -9.693 -4.719 549 HG3 GLN 70 1HG GLN 70 -6.565 -10.985 -5.086 550 HE21 GLN 70 1HE2 GLN 70 -8.157 -12.483 -5.455 551 HE22 GLN 70 2HE2 GLN 70 -9.127 -13.150 -4.188 552 H LEU 71 H LEU 71 -5.540 -6.847 -2.529 553 HA LEU 71 HA LEU 71 -7.449 -5.563 -4.131 554 HB2 LEU 71 2HB LEU 71 -6.432 -5.101 -1.684 555 HB3 LEU 71 1HB LEU 71 -5.498 -3.927 -2.586 556 HG LEU 71 HG LEU 71 -8.509 -4.036 -2.495 557 HD11 LEU 71 1HD1 LEU 71 -7.600 -3.438 -0.330 558 HD12 LEU 71 2HD1 LEU 71 -8.334 -2.028 -1.094 559 HD13 LEU 71 3HD1 LEU 71 -6.580 -2.208 -1.075 560 HD21 LEU 71 1HD2 LEU 71 -7.667 -3.043 -4.561 561 HD22 LEU 71 2HD2 LEU 71 -6.645 -1.948 -3.630 562 HD23 LEU 71 3HD2 LEU 71 -8.400 -1.814 -3.530 563 H PHE 72 H PHE 72 -3.917 -5.277 -3.968 564 HA PHE 72 HA PHE 72 -3.680 -3.432 -6.110 565 HB2 PHE 72 2HB PHE 72 -1.711 -5.283 -4.779 566 HB3 PHE 72 1HB PHE 72 -1.260 -4.286 -6.157 567 HD1 PHE 72 1HD PHE 72 -2.030 -4.342 -2.619 568 HD2 PHE 72 2HD PHE 72 -1.251 -1.849 -5.973 569 HE1 PHE 72 1HE PHE 72 -1.606 -2.450 -1.112 570 HE2 PHE 72 2HE PHE 72 -0.822 0.049 -4.471 571 HZ PHE 72 HZ PHE 72 -1.002 -0.253 -2.036 572 H GLN 73 H GLN 73 -3.761 -6.920 -5.895 573 HA GLN 73 HA GLN 73 -2.928 -7.541 -8.496 574 HB2 GLN 73 2HB GLN 73 -3.499 -9.064 -6.412 575 HB3 GLN 73 1HB GLN 73 -5.093 -9.128 -7.147 576 HG2 GLN 73 2HG GLN 73 -2.567 -9.887 -8.601 577 HG3 GLN 73 1HG GLN 73 -3.543 -11.033 -7.689 578 HE21 GLN 73 1HE2 GLN 73 -2.869 -10.910 -10.532 579 HE22 GLN 73 2HE2 GLN 73 -4.374 -10.886 -11.385 580 H ARG 74 H ARG 74 -6.135 -6.745 -7.185 581 HA ARG 74 HA ARG 74 -7.653 -7.029 -9.536 582 HB2 ARG 74 2HB ARG 74 -8.036 -4.915 -7.405 583 HB3 ARG 74 1HB ARG 74 -9.248 -5.478 -8.539 584 HG2 ARG 74 2HG ARG 74 -9.300 -7.642 -7.453 585 HG3 ARG 74 1HG ARG 74 -8.007 -7.141 -6.356 586 HD2 ARG 74 2HD ARG 74 -9.496 -5.255 -5.624 587 HD3 ARG 74 1HD ARG 74 -10.790 -5.999 -6.556 588 HE ARG 74 HE ARG 74 -10.140 -8.022 -4.997 589 HH11 ARG 74 1HH1 ARG 74 -10.503 -4.630 -4.189 590 HH12 ARG 74 2HH1 ARG 74 -10.977 -4.904 -2.550 591 HH21 ARG 74 1HH2 ARG 74 -10.779 -8.428 -2.824 592 HH22 ARG 74 2HH2 ARG 74 -11.140 -7.105 -1.769 593 H PHE 75 H PHE 75 -5.857 -4.295 -8.229 594 HA PHE 75 HA PHE 75 -6.531 -2.409 -10.207 595 HB2 PHE 75 2HB PHE 75 -5.564 -1.897 -7.951 596 HB3 PHE 75 1HB PHE 75 -4.025 -2.536 -8.507 597 HD1 PHE 75 1HD PHE 75 -6.375 0.236 -8.669 598 HD2 PHE 75 2HD PHE 75 -2.663 -1.276 -10.101 599 HE1 PHE 75 1HE PHE 75 -5.782 2.478 -9.477 600 HE2 PHE 75 2HE PHE 75 -2.065 0.968 -10.915 601 HZ PHE 75 HZ PHE 75 -3.627 2.846 -10.597 602 H ARG 76 H ARG 76 -3.816 -4.635 -9.846 603 HA ARG 76 HA ARG 76 -2.352 -3.913 -12.124 604 HB2 ARG 76 2HB ARG 76 -1.442 -5.353 -10.373 605 HB3 ARG 76 1HB ARG 76 -2.620 -6.599 -10.755 606 HG2 ARG 76 2HG ARG 76 -1.585 -6.694 -13.056 607 HG3 ARG 76 1HG ARG 76 -0.288 -5.685 -12.411 608 HD2 ARG 76 2HD ARG 76 0.160 -7.368 -10.693 609 HD3 ARG 76 1HD ARG 76 -1.136 -8.374 -11.340 610 HE ARG 76 HE ARG 76 1.460 -7.839 -12.582 611 HH11 ARG 76 1HH1 ARG 76 -1.639 -9.522 -12.688 612 HH12 ARG 76 2HH1 ARG 76 -1.108 -10.686 -13.846 613 HH21 ARG 76 1HH2 ARG 76 2.147 -9.401 -14.115 614 HH22 ARG 76 2HH2 ARG 76 1.045 -10.611 -14.665 615 H GLU 77 H GLU 77 -4.931 -6.311 -11.667 616 HA GLU 77 HA GLU 77 -4.967 -7.342 -14.267 617 HB2 GLU 77 2HB GLU 77 -7.130 -7.070 -12.188 618 HB3 GLU 77 1HB GLU 77 -7.400 -7.864 -13.732 619 HG2 GLU 77 2HG GLU 77 -5.297 -8.691 -11.752 620 HG3 GLU 77 1HG GLU 77 -6.906 -9.400 -11.851 621 H ALA 78 H ALA 78 -6.749 -4.651 -12.815 622 HA ALA 78 HA ALA 78 -8.244 -3.964 -15.076 623 HB1 ALA 78 1HB ALA 78 -8.543 -1.783 -14.008 624 HB2 ALA 78 2HB ALA 78 -7.243 -2.159 -12.876 625 HB3 ALA 78 3HB ALA 78 -8.736 -3.098 -12.848 626 H ILE 79 H ILE 79 -4.992 -3.004 -14.069 627 HA ILE 79 HA ILE 79 -4.496 -1.122 -16.118 628 HB ILE 79 HB ILE 79 -2.541 -2.936 -14.666 629 HG12 ILE 79 2HG1 ILE 79 -3.794 -1.418 -13.179 630 HG13 ILE 79 1HG1 ILE 79 -2.083 -1.018 -13.238 631 HG21 ILE 79 1HG2 ILE 79 -1.557 -2.132 -16.729 632 HG22 ILE 79 2HG2 ILE 79 -0.799 -1.345 -15.346 633 HG23 ILE 79 3HG2 ILE 79 -1.986 -0.473 -16.316 634 HD11 ILE 79 1HD1 ILE 79 -4.288 0.409 -14.699 635 HD12 ILE 79 2HD1 ILE 79 -2.573 0.811 -14.779 636 HD13 ILE 79 3HD1 ILE 79 -3.449 0.973 -13.254 637 H ASP 80 H ASP 80 -3.936 -4.603 -15.898 638 HA ASP 80 HA ASP 80 -2.677 -4.873 -18.421 639 HB2 ASP 80 2HB ASP 80 -2.339 -6.526 -16.687 640 HB3 ASP 80 1HB ASP 80 -4.054 -6.916 -16.676 641 H LYS 81 H LYS 81 -6.047 -5.162 -17.388 642 HA LYS 81 HA LYS 81 -6.870 -6.098 -20.009 643 HB2 LYS 81 2HB LYS 81 -8.705 -5.168 -17.799 644 HB3 LYS 81 1HB LYS 81 -9.084 -6.248 -19.130 645 HG2 LYS 81 2HG LYS 81 -7.284 -6.852 -16.792 646 HG3 LYS 81 1HG LYS 81 -8.910 -7.475 -17.058 647 HD2 LYS 81 2HD LYS 81 -8.206 -8.799 -18.883 648 HD3 LYS 81 1HD LYS 81 -6.661 -7.952 -18.999 649 HE2 LYS 81 2HE LYS 81 -6.388 -10.153 -17.972 650 HE3 LYS 81 1HE LYS 81 -5.982 -8.862 -16.843 651 HZ1 LYS 81 1HZ LYS 81 -7.264 -10.387 -15.637 652 HZ2 LYS 81 2HZ LYS 81 -8.397 -10.565 -16.882 653 HZ3 LYS 81 3HZ LYS 81 -8.342 -9.130 -15.998 654 H GLY 82 H GLY 82 -6.261 -3.104 -18.578 655 HA2 GLY 82 2HA GLY 82 -6.395 -0.994 -19.520 656 HA3 GLY 82 1HA GLY 82 -7.233 -1.698 -20.898 657 H ASP 83 H ASP 83 -8.237 -2.094 -17.566 658 HA ASP 83 HA ASP 83 -10.800 -0.861 -18.245 659 HB2 ASP 83 2HB ASP 83 -10.654 -3.155 -17.175 660 HB3 ASP 83 1HB ASP 83 -10.108 -2.345 -15.711 661 H LYS 84 H LYS 84 -10.562 1.276 -18.067 662 HA LYS 84 HA LYS 84 -8.969 2.559 -16.076 663 HB2 LYS 84 2HB LYS 84 -9.513 3.420 -18.400 664 HB3 LYS 84 1HB LYS 84 -11.104 3.828 -17.786 665 HG2 LYS 84 2HG LYS 84 -9.863 5.819 -17.710 666 HG3 LYS 84 1HG LYS 84 -9.935 5.243 -16.045 667 HD2 LYS 84 2HD LYS 84 -7.688 6.026 -16.572 668 HD3 LYS 84 1HD LYS 84 -7.674 4.285 -16.300 669 HE2 LYS 84 2HE LYS 84 -7.588 3.857 -18.665 670 HE3 LYS 84 1HE LYS 84 -7.820 5.566 -19.026 671 HZ1 LYS 84 1HZ LYS 84 -5.671 6.016 -17.989 672 HZ2 LYS 84 2HZ LYS 84 -5.518 4.945 -19.275 673 HZ3 LYS 84 3HZ LYS 84 -5.431 4.365 -17.696 674 H ASP 85 H ASP 85 -12.445 1.877 -16.342 675 HA ASP 85 HA ASP 85 -13.201 3.713 -14.314 676 HB2 ASP 85 2HB ASP 85 -15.414 2.687 -14.342 677 HB3 ASP 85 1HB ASP 85 -14.836 2.970 -15.974 678 H SER 86 H SER 86 -12.278 0.334 -14.179 679 HA SER 86 HA SER 86 -13.088 -0.060 -11.492 680 HB2 SER 86 2HB SER 86 -10.935 -1.505 -13.047 681 HB3 SER 86 1HB SER 86 -11.687 -2.065 -11.550 682 HG SER 86 HG SER 86 -12.891 -1.677 -14.088 683 H LEU 87 H LEU 87 -10.215 1.273 -12.953 684 HA LEU 87 HA LEU 87 -8.435 1.089 -10.809 685 HB2 LEU 87 2HB LEU 87 -8.663 3.262 -12.889 686 HB3 LEU 87 1HB LEU 87 -7.276 3.007 -11.856 687 HG LEU 87 HG LEU 87 -8.276 1.102 -13.967 688 HD11 LEU 87 1HD1 LEU 87 -6.259 1.695 -15.163 689 HD12 LEU 87 2HD1 LEU 87 -5.792 2.802 -13.872 690 HD13 LEU 87 3HD1 LEU 87 -7.222 3.137 -14.844 691 HD21 LEU 87 1HD2 LEU 87 -7.288 -0.089 -12.094 692 HD22 LEU 87 2HD2 LEU 87 -5.863 0.949 -12.168 693 HD23 LEU 87 3HD2 LEU 87 -6.230 -0.146 -13.502 694 H GLU 88 H GLU 88 -10.750 3.648 -11.626 695 HA GLU 88 HA GLU 88 -10.056 5.369 -9.505 696 HB2 GLU 88 2HB GLU 88 -11.302 6.089 -11.505 697 HB3 GLU 88 1HB GLU 88 -12.686 5.146 -10.973 698 HG2 GLU 88 2HG GLU 88 -12.921 6.543 -9.015 699 HG3 GLU 88 1HG GLU 88 -11.483 7.455 -9.469 700 H GLN 89 H GLN 89 -12.406 2.743 -9.749 701 HA GLN 89 HA GLN 89 -13.662 3.214 -7.254 702 HB2 GLN 89 2HB GLN 89 -14.687 1.864 -9.044 703 HB3 GLN 89 1HB GLN 89 -13.431 0.650 -8.839 704 HG2 GLN 89 2HG GLN 89 -14.193 0.277 -6.542 705 HG3 GLN 89 1HG GLN 89 -15.478 1.457 -6.795 706 HE21 GLN 89 1HE2 GLN 89 -15.640 -1.370 -6.125 707 HE22 GLN 89 2HE2 GLN 89 -16.596 -2.100 -7.369 708 H LEU 90 H LEU 90 -11.034 1.109 -8.304 709 HA LEU 90 HA LEU 90 -10.617 -0.200 -5.858 710 HB2 LEU 90 2HB LEU 90 -8.683 0.372 -8.096 711 HB3 LEU 90 1HB LEU 90 -8.386 -0.750 -6.782 712 HG LEU 90 HG LEU 90 -10.644 -1.033 -8.763 713 HD11 LEU 90 1HD1 LEU 90 -8.504 -1.243 -9.886 714 HD12 LEU 90 2HD1 LEU 90 -9.316 -2.805 -9.770 715 HD13 LEU 90 3HD1 LEU 90 -7.980 -2.421 -8.684 716 HD21 LEU 90 1HD2 LEU 90 -9.521 -2.913 -6.693 717 HD22 LEU 90 2HD2 LEU 90 -10.764 -3.319 -7.876 718 HD23 LEU 90 3HD2 LEU 90 -11.088 -2.106 -6.638 719 H LEU 91 H LEU 91 -9.345 2.825 -7.143 720 HA LEU 91 HA LEU 91 -7.404 3.304 -5.176 721 HB2 LEU 91 2HB LEU 91 -9.055 5.229 -6.802 722 HB3 LEU 91 1HB LEU 91 -7.742 5.730 -5.757 723 HG LEU 91 HG LEU 91 -7.472 3.932 -8.168 724 HD11 LEU 91 1HD1 LEU 91 -7.981 6.222 -8.782 725 HD12 LEU 91 2HD1 LEU 91 -6.305 5.833 -9.164 726 HD13 LEU 91 3HD1 LEU 91 -6.682 6.807 -7.743 727 HD21 LEU 91 1HD2 LEU 91 -5.052 4.239 -7.817 728 HD22 LEU 91 2HD2 LEU 91 -5.818 3.381 -6.483 729 HD23 LEU 91 3HD2 LEU 91 -5.394 5.085 -6.307 730 H GLU 92 H GLU 92 -10.865 3.871 -5.201 731 HA GLU 92 HA GLU 92 -11.010 5.455 -2.865 732 HB2 GLU 92 2HB GLU 92 -12.852 5.346 -4.444 733 HB3 GLU 92 1HB GLU 92 -13.043 3.625 -4.156 734 HG2 GLU 92 2HG GLU 92 -14.776 4.882 -3.029 735 HG3 GLU 92 1HG GLU 92 -13.730 4.086 -1.856 736 H GLU 93 H GLU 93 -11.333 1.955 -3.398 737 HA GLU 93 HA GLU 93 -11.797 1.340 -0.660 738 HB2 GLU 93 2HB GLU 93 -12.442 -0.148 -2.554 739 HB3 GLU 93 1HB GLU 93 -10.738 -0.486 -2.825 740 HG2 GLU 93 2HG GLU 93 -10.560 -1.508 -0.639 741 HG3 GLU 93 1HG GLU 93 -12.236 -1.095 -0.285 742 H LEU 94 H LEU 94 -8.955 1.407 -2.718 743 HA LEU 94 HA LEU 94 -7.112 0.343 -0.898 744 HB2 LEU 94 2HB LEU 94 -6.720 0.666 -3.326 745 HB3 LEU 94 1HB LEU 94 -6.649 2.397 -3.063 746 HG LEU 94 HG LEU 94 -4.640 2.088 -1.666 747 HD11 LEU 94 1HD1 LEU 94 -4.882 -0.800 -2.498 748 HD12 LEU 94 2HD1 LEU 94 -5.054 -0.164 -0.861 749 HD13 LEU 94 3HD1 LEU 94 -3.495 -0.081 -1.680 750 HD21 LEU 94 1HD2 LEU 94 -3.120 1.495 -3.506 751 HD22 LEU 94 2HD2 LEU 94 -4.395 2.598 -4.024 752 HD23 LEU 94 3HD2 LEU 94 -4.494 0.883 -4.426 753 H GLU 95 H GLU 95 -8.254 3.641 -1.457 754 HA GLU 95 HA GLU 95 -6.480 4.994 0.225 755 HB2 GLU 95 2HB GLU 95 -8.065 6.038 -1.409 756 HB3 GLU 95 1HB GLU 95 -9.371 5.703 -0.283 757 HG2 GLU 95 2HG GLU 95 -8.627 8.008 -0.128 758 HG3 GLU 95 1HG GLU 95 -8.335 7.138 1.378 759 H GLN 96 H GLN 96 -9.531 3.361 0.895 760 HA GLN 96 HA GLN 96 -9.874 4.173 3.556 761 HB2 GLN 96 2HB GLN 96 -10.659 1.542 2.281 762 HB3 GLN 96 1HB GLN 96 -11.294 2.174 3.793 763 HG2 GLN 96 2HG GLN 96 -11.633 3.432 1.079 764 HG3 GLN 96 1HG GLN 96 -12.850 2.502 1.950 765 HE21 GLN 96 1HE2 GLN 96 -12.879 5.276 1.001 766 HE22 GLN 96 2HE2 GLN 96 -13.193 6.238 2.405 767 H ALA 97 H ALA 97 -8.053 1.521 2.134 768 HA ALA 97 HA ALA 97 -7.284 0.305 4.568 769 HB1 ALA 97 1HB ALA 97 -7.192 -0.867 2.424 770 HB2 ALA 97 2HB ALA 97 -5.622 -0.880 3.229 771 HB3 ALA 97 3HB ALA 97 -5.917 0.222 1.880 772 H LEU 98 H LEU 98 -5.707 2.712 2.469 773 HA LEU 98 HA LEU 98 -3.360 2.956 4.003 774 HB2 LEU 98 2HB LEU 98 -4.680 4.753 2.007 775 HB3 LEU 98 1HB LEU 98 -3.308 5.331 2.925 776 HG LEU 98 HG LEU 98 -2.672 4.535 0.696 777 HD11 LEU 98 1HD1 LEU 98 -1.603 2.830 2.935 778 HD12 LEU 98 2HD1 LEU 98 -1.048 4.443 2.492 779 HD13 LEU 98 3HD1 LEU 98 -0.823 3.096 1.378 780 HD21 LEU 98 1HD2 LEU 98 -2.721 2.158 0.157 781 HD22 LEU 98 2HD2 LEU 98 -4.349 2.795 0.398 782 HD23 LEU 98 3HD2 LEU 98 -3.584 1.831 1.661 783 H GLN 99 H GLN 99 -6.503 4.490 4.318 784 HA GLN 99 HA GLN 99 -5.759 6.460 6.197 785 HB2 GLN 99 2HB GLN 99 -8.386 4.988 5.889 786 HB3 GLN 99 1HB GLN 99 -8.153 6.404 6.902 787 HG2 GLN 99 2HG GLN 99 -7.804 6.305 3.915 788 HG3 GLN 99 1HG GLN 99 -9.201 6.954 4.770 789 HE21 GLN 99 1HE2 GLN 99 -7.316 8.229 2.928 790 HE22 GLN 99 2HE2 GLN 99 -6.668 9.583 3.785 791 H LYS 100 H LYS 100 -6.771 3.109 6.533 792 HA LYS 100 HA LYS 100 -6.743 3.055 9.352 793 HB2 LYS 100 2HB LYS 100 -7.910 1.398 7.913 794 HB3 LYS 100 1HB LYS 100 -6.348 0.747 7.442 795 HG2 LYS 100 2HG LYS 100 -5.899 0.030 9.686 796 HG3 LYS 100 1HG LYS 100 -7.351 0.837 10.280 797 HD2 LYS 100 2HD LYS 100 -7.311 -1.454 8.311 798 HD3 LYS 100 1HD LYS 100 -7.652 -1.603 10.035 799 HE2 LYS 100 2HE LYS 100 -9.269 -0.053 8.006 800 HE3 LYS 100 1HE LYS 100 -9.725 -1.570 8.774 801 HZ1 LYS 100 1HZ LYS 100 -9.729 -0.421 10.917 802 HZ2 LYS 100 2HZ LYS 100 -10.822 0.278 9.837 803 HZ3 LYS 100 3HZ LYS 100 -9.350 1.036 10.150 804 H ILE 101 H ILE 101 -4.300 2.294 6.903 805 HA ILE 101 HA ILE 101 -2.327 1.341 8.674 806 HB ILE 101 HB ILE 101 -1.984 2.715 5.994 807 HG12 ILE 101 2HG1 ILE 101 -1.983 -0.217 6.752 808 HG13 ILE 101 1HG1 ILE 101 -3.288 0.625 5.927 809 HG21 ILE 101 1HG2 ILE 101 0.024 1.113 7.587 810 HG22 ILE 101 2HG2 ILE 101 0.080 2.851 7.295 811 HG23 ILE 101 3HG2 ILE 101 0.261 1.726 5.949 812 HD11 ILE 101 1HD1 ILE 101 -0.507 0.212 4.854 813 HD12 ILE 101 2HD1 ILE 101 -1.829 1.029 4.021 814 HD13 ILE 101 3HD1 ILE 101 -1.946 -0.692 4.385 815 H ARG 102 H ARG 102 -3.079 4.590 7.515 816 HA ARG 102 HA ARG 102 -0.903 5.955 8.641 817 HB2 ARG 102 2HB ARG 102 -3.715 6.863 8.029 818 HB3 ARG 102 1HB ARG 102 -2.459 7.953 8.589 819 HG2 ARG 102 2HG ARG 102 -1.167 7.588 6.610 820 HG3 ARG 102 1HG ARG 102 -2.255 6.301 6.081 821 HD2 ARG 102 2HD ARG 102 -4.072 7.892 5.855 822 HD3 ARG 102 1HD ARG 102 -3.050 9.181 6.479 823 HE ARG 102 HE ARG 102 -1.737 9.033 4.460 824 HH11 ARG 102 1HH1 ARG 102 -4.790 7.309 4.377 825 HH12 ARG 102 2HH1 ARG 102 -4.972 7.439 2.654 826 HH21 ARG 102 1HH2 ARG 102 -1.972 9.189 2.170 827 HH22 ARG 102 2HH2 ARG 102 -3.355 8.488 1.407 828 H GLU 103 H GLU 103 -4.137 5.279 9.966 829 HA GLU 103 HA GLU 103 -3.595 6.648 12.402 830 HB2 GLU 103 2HB GLU 103 -5.703 5.674 13.206 831 HB3 GLU 103 1HB GLU 103 -5.869 6.494 11.662 832 HG2 GLU 103 2HG GLU 103 -5.916 4.396 10.505 833 HG3 GLU 103 1HG GLU 103 -5.599 3.522 12.004 834 H LEU 104 H LEU 104 -3.220 3.319 11.360 835 HA LEU 104 HA LEU 104 -2.880 2.222 13.956 836 HB2 LEU 104 2HB LEU 104 -1.937 1.262 11.260 837 HB3 LEU 104 1HB LEU 104 -1.706 0.350 12.737 838 HG LEU 104 HG LEU 104 -4.368 1.091 11.519 839 HD11 LEU 104 1HD1 LEU 104 -4.576 -1.309 11.098 840 HD12 LEU 104 2HD1 LEU 104 -2.939 -1.555 11.706 841 HD13 LEU 104 3HD1 LEU 104 -3.203 -0.609 10.240 842 HD21 LEU 104 1HD2 LEU 104 -3.709 -0.549 13.966 843 HD22 LEU 104 2HD2 LEU 104 -5.308 -0.405 13.237 844 HD23 LEU 104 3HD2 LEU 104 -4.530 1.012 13.938 845 H ALA 105 H ALA 105 -0.615 3.531 11.581 846 HA ALA 105 HA ALA 105 1.709 2.991 13.151 847 HB1 ALA 105 1HB ALA 105 1.324 4.988 10.915 848 HB2 ALA 105 2HB ALA 105 1.827 3.308 10.719 849 HB3 ALA 105 3HB ALA 105 2.873 4.449 11.567 850 H GLU 106 H GLU 106 -0.632 5.523 13.013 851 HA GLU 106 HA GLU 106 0.879 7.390 14.620 852 HB2 GLU 106 2HB GLU 106 -0.774 8.099 12.884 853 HB3 GLU 106 1HB GLU 106 -2.054 7.401 13.861 854 HG2 GLU 106 2HG GLU 106 -1.922 9.826 14.106 855 HG3 GLU 106 1HG GLU 106 -1.610 8.995 15.630 856 H LYS 107 H LYS 107 -1.053 4.674 15.108 857 HA LYS 107 HA LYS 107 -2.024 3.644 16.849 858 HB2 LYS 107 2HB LYS 107 0.423 4.507 17.762 859 HB3 LYS 107 1HB LYS 107 -0.671 5.164 18.972 860 HG2 LYS 107 2HG LYS 107 -0.407 2.269 18.167 861 HG3 LYS 107 1HG LYS 107 0.118 2.998 19.684 862 HD2 LYS 107 2HD LYS 107 -2.163 3.467 20.304 863 HD3 LYS 107 1HD LYS 107 -2.745 2.924 18.730 864 HE2 LYS 107 2HE LYS 107 -1.879 0.663 19.240 865 HE3 LYS 107 1HE LYS 107 -1.415 1.234 20.842 866 HZ1 LYS 107 1HZ LYS 107 -3.556 0.094 20.861 867 HZ2 LYS 107 2HZ LYS 107 -4.191 1.221 19.770 868 HZ3 LYS 107 3HZ LYS 107 -3.723 1.712 21.314 869 H LYS 108 H LYS 108 -3.585 5.492 15.835 870 HA LYS 108 HA LYS 108 -4.508 7.544 17.528 871 HB2 LYS 108 2HB LYS 108 -5.056 7.444 15.142 872 HB3 LYS 108 1HB LYS 108 -5.989 5.980 15.411 873 HG2 LYS 108 2HG LYS 108 -7.577 7.228 16.781 874 HG3 LYS 108 1HG LYS 108 -6.631 8.698 16.544 875 HD2 LYS 108 2HD LYS 108 -8.524 8.685 15.026 876 HD3 LYS 108 1HD LYS 108 -7.025 8.528 14.111 877 HE2 LYS 108 2HE LYS 108 -7.393 6.067 14.045 878 HE3 LYS 108 1HE LYS 108 -8.942 6.315 14.840 879 HZ1 LYS 108 1HZ LYS 108 -9.725 7.542 12.966 880 HZ2 LYS 108 2HZ LYS 108 -9.066 6.090 12.388 881 HZ3 LYS 108 3HZ LYS 108 -8.200 7.531 12.240 882 H ASN 109 H ASN 109 -5.579 4.210 17.102 883 HA ASN 109 HA ASN 109 -7.178 4.475 19.552 884 HB2 ASN 109 2HB ASN 109 -8.470 3.845 17.525 885 HB3 ASN 109 1HB ASN 109 -7.450 2.422 17.343 886 HD21 ASN 109 1HD2 ASN 109 -7.651 0.722 18.823 887 HD22 ASN 109 2HD2 ASN 109 -9.042 0.563 19.836
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