NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
27266 | 2pqe | 15232 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1HT ALA 1 8.798 23.168 -13.135 2 2H ALA 1 2HT ALA 1 9.987 24.298 -13.641 3 3H ALA 1 3HT ALA 1 10.345 23.172 -12.395 4 HA ALA 1 HA ALA 1 10.078 22.767 -15.270 5 1HB ALA 1 1HB ALA 1 12.293 23.133 -14.461 6 2HB ALA 1 2HB ALA 1 12.136 21.418 -14.841 7 3HB ALA 1 3HB ALA 1 12.073 21.959 -13.164 8 H THR 2 H THR 2 9.432 21.305 -12.164 9 HA THR 2 HA THR 2 8.399 19.373 -11.555 10 HB THR 2 HB THR 2 7.426 19.311 -14.417 11 HG1 THR 2 1HG THR 2 6.296 20.568 -12.140 12 1HG2 THR 2 1HG2 THR 2 6.628 17.333 -13.662 13 2HG2 THR 2 2HG2 THR 2 5.364 18.391 -13.035 14 3HG2 THR 2 3HG2 THR 2 6.658 17.837 -11.972 15 H SER 3 H SER 3 11.110 19.299 -12.649 16 HA SER 3 HA SER 3 11.243 16.749 -14.046 17 1HB SER 3 2HB SER 3 13.823 17.347 -13.698 18 2HB SER 3 1HB SER 3 12.861 18.081 -14.980 19 HG SER 3 HG SER 3 13.156 19.239 -12.412 20 H THR 4 H THR 4 12.054 18.157 -10.923 21 HA THR 4 HA THR 4 13.032 15.575 -9.962 22 HB THR 4 HB THR 4 12.967 18.266 -8.583 23 HG1 THR 4 1HG THR 4 15.122 16.889 -9.807 24 1HG2 THR 4 1HG2 THR 4 13.337 17.050 -6.748 25 2HG2 THR 4 2HG2 THR 4 14.963 16.869 -7.407 26 3HG2 THR 4 3HG2 THR 4 13.760 15.605 -7.665 27 H LYS 5 H LYS 5 10.992 14.505 -9.985 28 HA LYS 5 HA LYS 5 8.714 15.435 -8.606 29 1HB LYS 5 2HB LYS 5 9.563 12.630 -9.342 30 2HB LYS 5 1HB LYS 5 7.980 13.045 -8.700 31 1HG LYS 5 2HG LYS 5 7.350 13.261 -10.820 32 2HG LYS 5 1HG LYS 5 8.246 14.780 -10.808 33 1HD LYS 5 2HD LYS 5 8.896 13.425 -12.719 34 2HD LYS 5 1HD LYS 5 10.246 13.595 -11.597 35 1HE LYS 5 2HE LYS 5 8.574 11.269 -11.046 36 2HE LYS 5 1HE LYS 5 9.308 11.233 -12.650 37 1HZ LYS 5 1HZ LYS 5 10.534 10.391 -10.442 38 2HZ LYS 5 2HZ LYS 5 11.078 11.992 -10.480 39 3HZ LYS 5 3HZ LYS 5 11.358 10.974 -11.800 40 H LYS 6 H LYS 6 11.649 14.037 -7.500 41 HA LYS 6 HA LYS 6 12.362 13.225 -5.494 42 1HB LYS 6 2HB LYS 6 12.000 14.681 -3.660 43 2HB LYS 6 1HB LYS 6 11.970 15.688 -5.099 44 1HG LYS 6 2HG LYS 6 9.343 14.695 -4.239 45 2HG LYS 6 1HG LYS 6 10.143 15.781 -3.104 46 1HD LYS 6 2HD LYS 6 9.972 16.475 -6.011 47 2HD LYS 6 1HD LYS 6 8.610 16.783 -4.933 48 1HE LYS 6 2HE LYS 6 11.293 17.685 -4.048 49 2HE LYS 6 1HE LYS 6 10.532 18.575 -5.366 50 1HZ LYS 6 1HZ LYS 6 10.110 19.111 -2.800 51 2HZ LYS 6 2HZ LYS 6 8.845 18.020 -3.068 52 3HZ LYS 6 3HZ LYS 6 8.968 19.420 -4.009 53 H LEU 7 H LEU 7 10.046 11.860 -6.624 54 HA LEU 7 HA LEU 7 8.608 11.014 -4.212 55 1HB LEU 7 2HB LEU 7 8.055 10.718 -7.150 56 2HB LEU 7 1HB LEU 7 7.220 9.732 -5.965 57 HG LEU 7 HG LEU 7 7.138 12.744 -6.149 58 1HD1 LEU 7 1HD1 LEU 7 4.654 12.166 -6.496 59 2HD1 LEU 7 2HD1 LEU 7 5.241 10.556 -6.911 60 3HD1 LEU 7 3HD1 LEU 7 5.765 11.954 -7.850 61 1HD2 LEU 7 1HD2 LEU 7 5.375 12.503 -4.384 62 2HD2 LEU 7 2HD2 LEU 7 7.018 12.163 -3.844 63 3HD2 LEU 7 3HD2 LEU 7 5.906 10.834 -4.174 64 H HIS 8 H HIS 8 11.360 10.267 -4.682 65 HA HIS 8 HA HIS 8 11.308 7.492 -5.511 66 1HB HIS 8 2HB HIS 8 13.717 7.533 -5.099 67 2HB HIS 8 1HB HIS 8 13.237 8.917 -6.074 68 HD1 HIS 8 1HD HIS 8 13.397 11.259 -4.970 69 HD2 HIS 8 2HD HIS 8 14.725 8.141 -2.567 70 HE1 HIS 8 1HE HIS 8 14.634 12.352 -3.073 71 HE2 HIS 8 2HE HIS 8 15.504 10.441 -1.679 72 H LYS 9 H LYS 9 10.926 5.839 -4.208 73 HA LYS 9 HA LYS 9 10.392 6.171 -1.447 74 1HB LYS 9 2HB LYS 9 10.273 3.662 -1.442 75 2HB LYS 9 1HB LYS 9 9.244 4.445 -2.632 76 1HG LYS 9 2HG LYS 9 11.915 3.716 -3.602 77 2HG LYS 9 1HG LYS 9 10.882 2.358 -3.152 78 1HD LYS 9 2HD LYS 9 9.476 2.691 -4.882 79 2HD LYS 9 1HD LYS 9 9.561 4.448 -4.742 80 1HE LYS 9 2HE LYS 9 11.946 4.181 -5.689 81 2HE LYS 9 1HE LYS 9 11.408 2.576 -6.183 82 1HZ LYS 9 1HZ LYS 9 9.905 3.441 -7.671 83 2HZ LYS 9 2HZ LYS 9 11.163 4.565 -7.796 84 3HZ LYS 9 3HZ LYS 9 9.789 4.933 -6.879 85 H GLU 10 H GLU 10 11.479 5.030 0.325 86 HA GLU 10 HA GLU 10 14.055 3.948 0.124 87 1HB GLU 10 2HB GLU 10 14.561 6.330 -0.518 88 2HB GLU 10 1HB GLU 10 14.056 6.807 1.098 89 1HG GLU 10 2HG GLU 10 15.818 5.256 1.991 90 2HG GLU 10 1HG GLU 10 16.397 5.084 0.334 91 H ALA 11 H ALA 11 14.505 2.902 1.967 92 HA ALA 11 HA ALA 11 13.528 3.874 4.514 93 1HB ALA 11 1HB ALA 11 12.116 1.827 3.072 94 2HB ALA 11 2HB ALA 11 11.706 2.608 4.596 95 3HB ALA 11 3HB ALA 11 12.745 1.186 4.588 96 H ALA 12 H ALA 12 14.324 0.510 3.773 97 HA ALA 12 HA ALA 12 17.031 0.430 4.063 98 1HB ALA 12 1HB ALA 12 17.552 1.079 6.120 99 2HB ALA 12 2HB ALA 12 16.638 -0.290 6.754 100 3HB ALA 12 3HB ALA 12 15.849 1.271 6.532 101 H THR 13 H THR 13 14.925 -1.254 6.376 102 HA THR 13 HA THR 13 14.841 -3.606 4.660 103 HB THR 13 HB THR 13 16.171 -3.611 7.374 104 HG1 THR 13 1HG THR 13 17.665 -3.066 5.895 105 1HG2 THR 13 1HG2 THR 13 15.376 -5.902 5.609 106 2HG2 THR 13 2HG2 THR 13 14.991 -5.643 7.310 107 3HG2 THR 13 3HG2 THR 13 16.644 -6.022 6.828 108 H LEU 14 H LEU 14 13.231 -5.084 5.198 109 HA LEU 14 HA LEU 14 11.206 -4.040 7.040 110 1HB LEU 14 2HB LEU 14 10.397 -4.431 4.818 111 2HB LEU 14 1HB LEU 14 11.078 -6.045 4.791 112 HG LEU 14 HG LEU 14 8.537 -5.786 5.094 113 1HD1 LEU 14 1HD1 LEU 14 10.054 -7.830 5.511 114 2HD1 LEU 14 2HD1 LEU 14 8.421 -7.827 6.178 115 3HD1 LEU 14 3HD1 LEU 14 9.797 -7.470 7.219 116 1HD2 LEU 14 1HD2 LEU 14 9.493 -5.059 7.851 117 2HD2 LEU 14 2HD2 LEU 14 7.858 -5.606 7.486 118 3HD2 LEU 14 3HD2 LEU 14 8.464 -4.105 6.785 119 H ILE 15 H ILE 15 11.152 -4.866 9.025 120 HA ILE 15 HA ILE 15 12.545 -7.233 9.754 121 HB ILE 15 HB ILE 15 10.489 -5.643 11.300 122 1HG1 ILE 15 2HG1 ILE 15 12.875 -5.204 12.518 123 2HG1 ILE 15 1HG1 ILE 15 13.400 -5.390 10.847 124 1HG2 ILE 15 1HG2 ILE 15 10.443 -7.520 12.557 125 2HG2 ILE 15 2HG2 ILE 15 11.947 -6.858 13.201 126 3HG2 ILE 15 3HG2 ILE 15 11.994 -8.098 11.947 127 1HD1 ILE 15 1HD1 ILE 15 12.882 -3.044 11.652 128 2HD1 ILE 15 2HD1 ILE 15 11.185 -3.525 11.618 129 3HD1 ILE 15 3HD1 ILE 15 12.141 -3.554 10.136 130 H LYS 16 H LYS 16 9.069 -6.465 9.555 131 HA LYS 16 HA LYS 16 8.327 -8.926 8.453 132 1HB LYS 16 2HB LYS 16 8.936 -9.173 11.171 133 2HB LYS 16 1HB LYS 16 7.179 -9.128 11.107 134 1HG LYS 16 2HG LYS 16 7.647 -10.872 9.129 135 2HG LYS 16 1HG LYS 16 9.066 -11.175 10.134 136 1HD LYS 16 2HD LYS 16 7.779 -12.488 11.393 137 2HD LYS 16 1HD LYS 16 6.941 -11.031 11.931 138 1HE LYS 16 2HE LYS 16 5.110 -12.012 11.093 139 2HE LYS 16 1HE LYS 16 5.745 -11.510 9.527 140 1HZ LYS 16 1HZ LYS 16 6.488 -13.614 9.052 141 2HZ LYS 16 2HZ LYS 16 5.085 -13.969 9.928 142 3HZ LYS 16 3HZ LYS 16 6.598 -14.078 10.676 143 H ALA 17 H ALA 17 6.070 -9.109 8.103 144 HA ALA 17 HA ALA 17 4.682 -6.558 8.354 145 1HB ALA 17 1HB ALA 17 4.770 -7.684 6.160 146 2HB ALA 17 2HB ALA 17 3.120 -7.424 6.728 147 3HB ALA 17 3HB ALA 17 3.850 -9.027 6.836 148 H ILE 18 H ILE 18 2.684 -6.304 9.333 149 HA ILE 18 HA ILE 18 2.024 -8.365 11.311 150 HB ILE 18 HB ILE 18 1.009 -5.527 11.227 151 1HG1 ILE 18 2HG1 ILE 18 3.349 -6.645 12.788 152 2HG1 ILE 18 1HG1 ILE 18 3.478 -5.580 11.392 153 1HG2 ILE 18 1HG2 ILE 18 0.689 -7.825 13.045 154 2HG2 ILE 18 2HG2 ILE 18 -0.397 -6.476 12.714 155 3HG2 ILE 18 3HG2 ILE 18 0.965 -6.261 13.813 156 1HD1 ILE 18 1HD1 ILE 18 3.433 -3.866 12.782 157 2HD1 ILE 18 2HD1 ILE 18 3.091 -4.926 14.150 158 3HD1 ILE 18 3HD1 ILE 18 1.766 -4.282 13.180 159 H ASP 19 H ASP 19 0.295 -6.062 9.189 160 HA ASP 19 HA ASP 19 -1.671 -8.155 8.630 161 1HB ASP 19 2HB ASP 19 -2.199 -5.563 9.998 162 2HB ASP 19 1HB ASP 19 -3.392 -6.130 8.832 163 H GLY 20 H GLY 20 0.143 -7.614 6.803 164 1HA GLY 20 2HA GLY 20 0.323 -7.102 4.571 165 2HA GLY 20 1HA GLY 20 -1.368 -6.633 4.608 166 H ASP 21 H ASP 21 -1.699 -4.470 5.888 167 HA ASP 21 HA ASP 21 -0.068 -2.508 4.526 168 1HB ASP 21 2HB ASP 21 -1.677 -0.881 5.574 169 2HB ASP 21 1HB ASP 21 -2.430 -2.095 4.543 170 H THR 22 H THR 22 -0.561 -3.710 7.771 171 HA THR 22 HA THR 22 1.232 -1.687 8.871 172 HB THR 22 HB THR 22 -0.084 -3.915 10.412 173 HG1 THR 22 1HG THR 22 -1.686 -2.763 9.241 174 1HG2 THR 22 1HG2 THR 22 -0.122 -2.174 12.203 175 2HG2 THR 22 2HG2 THR 22 0.899 -1.180 11.164 176 3HG2 THR 22 3HG2 THR 22 1.482 -2.740 11.740 177 H VAL 23 H VAL 23 3.318 -2.138 8.497 178 HA VAL 23 HA VAL 23 4.290 -4.799 9.288 179 HB VAL 23 HB VAL 23 5.870 -4.827 7.430 180 1HG1 VAL 23 1HG1 VAL 23 4.403 -5.695 5.930 181 2HG1 VAL 23 2HG1 VAL 23 3.320 -4.305 6.016 182 3HG1 VAL 23 3HG1 VAL 23 3.300 -5.519 7.295 183 1HG2 VAL 23 1HG2 VAL 23 5.820 -3.203 5.654 184 2HG2 VAL 23 2HG2 VAL 23 6.060 -2.362 7.185 185 3HG2 VAL 23 3HG2 VAL 23 4.474 -2.354 6.413 186 H LYS 24 H LYS 24 6.301 -4.861 10.266 187 HA LYS 24 HA LYS 24 7.237 -2.320 11.317 188 1HB LYS 24 2HB LYS 24 7.653 -5.193 11.989 189 2HB LYS 24 1HB LYS 24 8.915 -4.057 12.445 190 1HG LYS 24 2HG LYS 24 6.757 -2.745 13.366 191 2HG LYS 24 1HG LYS 24 6.202 -4.413 13.529 192 1HD LYS 24 2HD LYS 24 7.278 -4.335 15.504 193 2HD LYS 24 1HD LYS 24 8.721 -4.601 14.523 194 1HE LYS 24 2HE LYS 24 9.421 -2.436 14.717 195 2HE LYS 24 1HE LYS 24 7.782 -1.807 14.883 196 1HZ LYS 24 1HZ LYS 24 7.994 -3.228 17.119 197 2HZ LYS 24 2HZ LYS 24 8.408 -1.591 17.018 198 3HZ LYS 24 3HZ LYS 24 9.612 -2.774 16.919 199 H LEU 25 H LEU 25 8.503 -1.200 9.975 200 HA LEU 25 HA LEU 25 10.579 -2.637 8.465 201 1HB LEU 25 2HB LEU 25 8.704 -0.868 7.566 202 2HB LEU 25 1HB LEU 25 10.080 0.188 7.822 203 HG LEU 25 HG LEU 25 10.557 -2.323 6.307 204 1HD1 LEU 25 1HD1 LEU 25 8.691 -0.204 5.475 205 2HD1 LEU 25 2HD1 LEU 25 8.812 -1.884 4.953 206 3HD1 LEU 25 3HD1 LEU 25 9.903 -0.671 4.283 207 1HD2 LEU 25 1HD2 LEU 25 12.087 -0.874 5.082 208 2HD2 LEU 25 2HD2 LEU 25 12.376 -0.772 6.817 209 3HD2 LEU 25 3HD2 LEU 25 11.508 0.521 5.991 210 H MET 26 H MET 26 12.684 -2.190 8.735 211 HA MET 26 HA MET 26 13.434 -0.546 10.996 212 1HB MET 26 2HB MET 26 14.392 -2.869 10.367 213 2HB MET 26 1HB MET 26 15.358 -1.986 9.194 214 1HG MET 26 2HG MET 26 16.217 -0.584 11.066 215 2HG MET 26 1HG MET 26 15.372 -1.656 12.182 216 1HE MET 26 1HE MET 26 16.907 -4.371 12.875 217 2HE MET 26 2HE MET 26 16.519 -2.754 13.463 218 3HE MET 26 3HE MET 26 18.203 -3.262 13.321 219 H TYR 27 H TYR 27 13.350 1.576 10.521 220 HA TYR 27 HA TYR 27 14.718 2.508 8.089 221 1HB TYR 27 2HB TYR 27 12.359 3.173 8.267 222 2HB TYR 27 1HB TYR 27 12.683 3.928 9.824 223 HD1 TYR 27 2HD TYR 27 14.237 5.920 9.900 224 HD2 TYR 27 1HD TYR 27 12.717 4.344 6.253 225 HE1 TYR 27 2HE TYR 27 14.784 8.032 8.767 226 HE2 TYR 27 1HE TYR 27 13.260 6.451 5.108 227 HH TYR 27 HH TYR 27 13.557 8.941 5.878 228 H LYS 28 H LYS 28 16.335 4.008 8.204 229 HA LYS 28 HA LYS 28 18.241 4.880 9.097 230 1HB LYS 28 2HB LYS 28 17.877 6.804 10.360 231 2HB LYS 28 1HB LYS 28 16.367 6.586 9.494 232 1HG LYS 28 2HG LYS 28 15.272 6.658 11.414 233 2HG LYS 28 1HG LYS 28 16.122 5.209 11.949 234 1HD LYS 28 2HD LYS 28 18.042 6.969 12.441 235 2HD LYS 28 1HD LYS 28 16.660 8.064 12.557 236 1HE LYS 28 2HE LYS 28 15.686 6.147 14.068 237 2HE LYS 28 1HE LYS 28 17.386 5.723 14.256 238 1HZ LYS 28 1HZ LYS 28 16.742 8.530 14.613 239 2HZ LYS 28 2HZ LYS 28 17.792 7.539 15.494 240 3HZ LYS 28 3HZ LYS 28 16.129 7.488 15.796 241 H GLY 29 H GLY 29 17.475 2.254 10.204 242 1HA GLY 29 2HA GLY 29 18.721 0.894 11.645 243 2HA GLY 29 1HA GLY 29 19.292 2.331 12.472 244 H GLN 30 H GLN 30 15.885 2.140 12.000 245 HA GLN 30 HA GLN 30 15.514 0.973 14.662 246 1HB GLN 30 2HB GLN 30 14.041 2.735 15.380 247 2HB GLN 30 1HB GLN 30 15.576 3.442 14.900 248 1HG GLN 30 2HG GLN 30 14.683 4.404 12.994 249 2HG GLN 30 1HG GLN 30 13.300 3.313 12.967 250 1HE2 GLN 30 1HE2 GLN 30 14.656 5.305 15.559 251 2HE2 GLN 30 2HE2 GLN 30 13.215 6.215 15.850 252 H ALA 31 H ALA 31 13.825 -0.368 14.826 253 HA ALA 31 HA ALA 31 12.277 -0.918 12.447 254 1HB ALA 31 1HB ALA 31 11.363 -2.797 13.809 255 2HB ALA 31 2HB ALA 31 12.375 -2.252 15.147 256 3HB ALA 31 3HB ALA 31 13.119 -2.807 13.648 257 H MET 32 H MET 32 10.769 0.643 12.115 258 HA MET 32 HA MET 32 8.903 1.219 14.317 259 1HB MET 32 2HB MET 32 8.331 3.269 13.134 260 2HB MET 32 1HB MET 32 10.067 3.183 13.401 261 1HG MET 32 2HG MET 32 10.194 2.230 11.032 262 2HG MET 32 1HG MET 32 8.543 2.819 10.851 263 1HE MET 32 1HE MET 32 8.930 6.521 11.782 264 2HE MET 32 2HE MET 32 7.957 5.056 11.914 265 3HE MET 32 3HE MET 32 8.175 5.832 10.345 266 H THR 33 H THR 33 6.646 1.306 13.863 267 HA THR 33 HA THR 33 5.806 -0.744 12.024 268 HB THR 33 HB THR 33 3.949 1.051 13.563 269 HG1 THR 33 1HG THR 33 4.590 0.235 15.376 270 1HG2 THR 33 1HG2 THR 33 3.035 -0.683 12.010 271 2HG2 THR 33 2HG2 THR 33 2.520 -0.828 13.691 272 3HG2 THR 33 3HG2 THR 33 3.765 -1.902 13.055 273 H PHE 34 H PHE 34 5.550 -0.334 9.936 274 HA PHE 34 HA PHE 34 4.811 2.355 9.064 275 1HB PHE 34 2HB PHE 34 6.114 0.003 7.776 276 2HB PHE 34 1HB PHE 34 5.216 1.113 6.747 277 HD1 PHE 34 2HD PHE 34 8.053 0.820 9.077 278 HD2 PHE 34 1HD PHE 34 6.063 3.258 6.213 279 HE1 PHE 34 2HE PHE 34 9.993 2.332 9.024 280 HE2 PHE 34 1HE PHE 34 8.000 4.775 6.154 281 HZ PHE 34 HZ PHE 34 9.967 4.314 7.562 282 H ARG 35 H ARG 35 3.078 2.740 7.635 283 HA ARG 35 HA ARG 35 1.118 0.573 7.363 284 1HB ARG 35 2HB ARG 35 0.834 3.039 8.910 285 2HB ARG 35 1HB ARG 35 -0.466 2.797 7.752 286 1HG ARG 35 2HG ARG 35 0.174 0.388 9.252 287 2HG ARG 35 1HG ARG 35 -0.327 1.733 10.279 288 1HD ARG 35 2HD ARG 35 -2.245 1.998 8.545 289 2HD ARG 35 1HD ARG 35 -1.840 0.339 8.106 290 HE ARG 35 HE ARG 35 -2.110 0.199 10.786 291 1HH1 ARG 35 1HH1 ARG 35 -4.150 1.496 8.269 292 2HH1 ARG 35 2HH1 ARG 35 -5.621 1.175 9.123 293 1HH2 ARG 35 1HH2 ARG 35 -4.045 -0.225 11.910 294 2HH2 ARG 35 2HH2 ARG 35 -5.563 0.198 11.190 295 H LEU 36 H LEU 36 0.568 0.343 5.300 296 HA LEU 36 HA LEU 36 1.393 2.014 3.237 297 1HB LEU 36 2HB LEU 36 -0.360 -0.303 3.529 298 2HB LEU 36 1HB LEU 36 -0.844 0.760 2.223 299 HG LEU 36 HG LEU 36 1.972 -0.262 2.477 300 1HD1 LEU 36 1HD1 LEU 36 1.158 -1.849 0.604 301 2HD1 LEU 36 2HD1 LEU 36 -0.441 -1.577 1.298 302 3HD1 LEU 36 3HD1 LEU 36 0.843 -2.274 2.287 303 1HD2 LEU 36 1HD2 LEU 36 1.883 0.168 -0.007 304 2HD2 LEU 36 2HD2 LEU 36 1.822 1.598 1.023 305 3HD2 LEU 36 3HD2 LEU 36 0.347 0.987 0.277 306 H LEU 37 H LEU 37 0.806 4.029 2.812 307 HA LEU 37 HA LEU 37 -1.598 5.171 3.860 308 1HB LEU 37 2HB LEU 37 0.829 6.102 2.548 309 2HB LEU 37 1HB LEU 37 -0.596 6.976 2.018 310 HG LEU 37 HG LEU 37 0.346 6.691 4.872 311 1HD1 LEU 37 1HD1 LEU 37 1.028 8.521 2.782 312 2HD1 LEU 37 2HD1 LEU 37 1.614 8.457 4.444 313 3HD1 LEU 37 3HD1 LEU 37 0.160 9.377 4.056 314 1HD2 LEU 37 1HD2 LEU 37 -2.011 6.787 4.950 315 2HD2 LEU 37 2HD2 LEU 37 -2.082 7.996 3.668 316 3HD2 LEU 37 3HD2 LEU 37 -1.453 8.432 5.257 317 H LEU 38 H LEU 38 -3.455 5.737 2.833 318 HA LEU 38 HA LEU 38 -5.129 5.710 1.301 319 1HB LEU 38 2HB LEU 38 -2.716 6.028 -0.438 320 2HB LEU 38 1HB LEU 38 -4.290 5.786 -1.173 321 HG LEU 38 HG LEU 38 -3.488 8.057 0.647 322 1HD1 LEU 38 1HD1 LEU 38 -2.641 8.709 -1.359 323 2HD1 LEU 38 2HD1 LEU 38 -4.307 9.242 -1.580 324 3HD1 LEU 38 3HD1 LEU 38 -3.769 7.719 -2.285 325 1HD2 LEU 38 1HD2 LEU 38 -5.745 7.597 1.160 326 2HD2 LEU 38 2HD2 LEU 38 -6.147 7.293 -0.530 327 3HD2 LEU 38 3HD2 LEU 38 -5.776 8.931 0.006 328 H VAL 39 H VAL 39 -3.839 3.165 2.224 329 HA VAL 39 HA VAL 39 -5.145 1.439 0.259 330 HB VAL 39 HB VAL 39 -2.472 0.606 1.345 331 1HG1 VAL 39 1HG1 VAL 39 -2.822 -0.544 -1.108 332 2HG1 VAL 39 2HG1 VAL 39 -4.472 -0.472 -0.489 333 3HG1 VAL 39 3HG1 VAL 39 -3.216 -1.294 0.437 334 1HG2 VAL 39 1HG2 VAL 39 -3.029 2.432 -0.927 335 2HG2 VAL 39 2HG2 VAL 39 -1.783 1.206 -1.144 336 3HG2 VAL 39 3HG2 VAL 39 -1.649 2.374 0.169 337 H ASP 40 H ASP 40 -5.642 -0.696 1.096 338 HA ASP 40 HA ASP 40 -5.473 -0.970 4.006 339 1HB ASP 40 2HB ASP 40 -7.821 -0.181 2.684 340 2HB ASP 40 1HB ASP 40 -8.051 -1.886 3.064 341 H THR 41 H THR 41 -4.336 -2.782 4.219 342 HA THR 41 HA THR 41 -4.905 -5.029 2.416 343 HB THR 41 HB THR 41 -2.595 -5.141 4.271 344 HG1 THR 41 1HG THR 41 -1.408 -3.693 3.152 345 1HG2 THR 41 1HG2 THR 41 -3.189 -5.996 1.483 346 2HG2 THR 41 2HG2 THR 41 -2.547 -6.927 2.836 347 3HG2 THR 41 3HG2 THR 41 -1.517 -5.771 1.992 348 H ALA 42 H ALA 42 -6.754 -5.793 3.460 349 HA ALA 42 HA ALA 42 -7.814 -7.308 4.802 350 1HB ALA 42 1HB ALA 42 -5.341 -7.583 6.482 351 2HB ALA 42 2HB ALA 42 -5.491 -8.372 4.912 352 3HB ALA 42 3HB ALA 42 -6.627 -8.759 6.204 353 H GLU 43 H GLU 43 -9.152 -7.052 6.510 354 HA GLU 43 HA GLU 43 -8.417 -5.235 8.670 355 1HB GLU 43 2HB GLU 43 -9.497 -3.836 6.926 356 2HB GLU 43 1HB GLU 43 -10.926 -4.854 7.025 357 1HG GLU 43 2HG GLU 43 -11.691 -3.770 8.802 358 2HG GLU 43 1HG GLU 43 -10.134 -3.865 9.625 359 H THR 44 H THR 44 -8.670 -7.996 8.748 360 HA THR 44 HA THR 44 -11.165 -9.017 9.430 361 HB THR 44 HB THR 44 -9.665 -10.581 10.939 362 HG1 THR 44 1HG THR 44 -7.571 -10.359 10.679 363 1HG2 THR 44 1HG2 THR 44 -9.159 -10.574 7.980 364 2HG2 THR 44 2HG2 THR 44 -10.652 -11.161 8.715 365 3HG2 THR 44 3HG2 THR 44 -9.116 -11.945 9.089 366 H LYS 45 H LYS 45 -12.373 -7.680 10.727 367 HA LYS 45 HA LYS 45 -11.521 -7.555 13.532 368 1HB LYS 45 2HB LYS 45 -12.600 -5.269 13.649 369 2HB LYS 45 1HB LYS 45 -11.077 -5.350 12.775 370 1HG LYS 45 2HG LYS 45 -12.100 -4.290 11.119 371 2HG LYS 45 1HG LYS 45 -12.984 -5.788 10.821 372 1HD LYS 45 2HD LYS 45 -14.871 -4.707 11.292 373 2HD LYS 45 1HD LYS 45 -14.304 -4.519 12.952 374 1HE LYS 45 2HE LYS 45 -13.772 -2.347 12.661 375 2HE LYS 45 1HE LYS 45 -13.181 -2.608 11.020 376 1HZ LYS 45 1HZ LYS 45 -15.417 -2.608 10.205 377 2HZ LYS 45 2HZ LYS 45 -15.191 -1.211 11.130 378 3HZ LYS 45 3HZ LYS 45 -16.052 -2.518 11.771 379 H HIS 46 H HIS 46 -13.426 -9.210 11.899 380 HA HIS 46 HA HIS 46 -15.865 -8.624 13.445 381 1HB HIS 46 2HB HIS 46 -15.712 -8.603 10.738 382 2HB HIS 46 1HB HIS 46 -16.132 -10.290 11.019 383 HD1 HIS 46 1HD HIS 46 -17.809 -9.060 13.695 384 HD2 HIS 46 2HD HIS 46 -18.392 -8.481 9.623 385 HE1 HIS 46 1HE HIS 46 -20.211 -8.358 13.454 386 HE2 HIS 46 2HE HIS 46 -20.516 -7.926 10.991 387 H THR 47 H THR 47 -13.463 -10.961 12.602 388 HA THR 47 HA THR 47 -12.984 -13.014 13.453 389 HB THR 47 HB THR 47 -15.341 -12.890 15.301 390 HG1 THR 47 1HG THR 47 -14.052 -11.603 16.698 391 1HG2 THR 47 1HG2 THR 47 -14.022 -14.068 16.810 392 2HG2 THR 47 2HG2 THR 47 -12.526 -13.650 15.974 393 3HG2 THR 47 3HG2 THR 47 -13.649 -14.802 15.250 394 H LYS 48 H LYS 48 -14.281 -13.042 11.136 395 HA LYS 48 HA LYS 48 -16.610 -14.776 11.323 396 1HB LYS 48 2HB LYS 48 -16.244 -12.818 9.644 397 2HB LYS 48 1HB LYS 48 -15.277 -13.985 8.752 398 1HG LYS 48 2HG LYS 48 -17.406 -15.489 9.019 399 2HG LYS 48 1HG LYS 48 -18.210 -13.933 9.246 400 1HD LYS 48 2HD LYS 48 -16.368 -14.407 6.926 401 2HD LYS 48 1HD LYS 48 -18.062 -14.899 6.863 402 1HE LYS 48 2HE LYS 48 -18.701 -12.566 7.426 403 2HE LYS 48 1HE LYS 48 -16.999 -12.115 7.325 404 1HZ LYS 48 1HZ LYS 48 -18.012 -11.597 5.260 405 2HZ LYS 48 2HZ LYS 48 -18.721 -13.126 5.133 406 3HZ LYS 48 3HZ LYS 48 -17.043 -12.959 4.998 407 H LYS 49 H LYS 49 -13.343 -14.864 9.925 408 HA LYS 49 HA LYS 49 -12.839 -17.524 10.617 409 1HB LYS 49 2HB LYS 49 -12.895 -18.484 8.250 410 2HB LYS 49 1HB LYS 49 -14.437 -18.296 9.072 411 1HG LYS 49 2HG LYS 49 -15.160 -17.200 7.289 412 2HG LYS 49 1HG LYS 49 -14.055 -15.893 7.721 413 1HD LYS 49 2HD LYS 49 -13.563 -16.430 5.476 414 2HD LYS 49 1HD LYS 49 -12.276 -17.164 6.434 415 1HE LYS 49 2HE LYS 49 -12.941 -18.777 4.824 416 2HE LYS 49 1HE LYS 49 -13.593 -19.303 6.374 417 1HZ LYS 49 1HZ LYS 49 -15.624 -17.857 5.456 418 2HZ LYS 49 2HZ LYS 49 -15.463 -19.515 5.167 419 3HZ LYS 49 3HZ LYS 49 -14.982 -18.403 3.989 420 H GLY 50 H GLY 50 -12.274 -14.947 8.279 421 1HA GLY 50 2HA GLY 50 -10.013 -13.949 8.388 422 2HA GLY 50 1HA GLY 50 -9.392 -15.592 8.404 423 H VAL 51 H VAL 51 -12.083 -14.866 6.350 424 HA VAL 51 HA VAL 51 -10.415 -14.339 4.036 425 HB VAL 51 HB VAL 51 -12.220 -16.755 4.011 426 1HG1 VAL 51 1HG1 VAL 51 -10.635 -15.300 2.015 427 2HG1 VAL 51 2HG1 VAL 51 -12.039 -16.348 1.809 428 3HG1 VAL 51 3HG1 VAL 51 -10.432 -17.052 1.987 429 1HG2 VAL 51 1HG2 VAL 51 -10.100 -18.074 3.958 430 2HG2 VAL 51 2HG2 VAL 51 -10.422 -17.280 5.499 431 3HG2 VAL 51 3HG2 VAL 51 -9.234 -16.599 4.389 432 H GLU 52 H GLU 52 -12.542 -12.971 5.513 433 HA GLU 52 HA GLU 52 -14.956 -13.102 4.007 434 1HB GLU 52 2HB GLU 52 -15.460 -10.922 5.184 435 2HB GLU 52 1HB GLU 52 -15.122 -12.291 6.232 436 1HG GLU 52 2HG GLU 52 -12.977 -11.484 6.768 437 2HG GLU 52 1HG GLU 52 -13.016 -10.297 5.466 438 H LYS 53 H LYS 53 -11.960 -11.389 3.649 439 HA LYS 53 HA LYS 53 -12.784 -10.430 1.057 440 1HB LYS 53 2HB LYS 53 -12.320 -8.083 1.472 441 2HB LYS 53 1HB LYS 53 -13.592 -8.640 2.549 442 1HG LYS 53 2HG LYS 53 -11.014 -8.953 3.787 443 2HG LYS 53 1HG LYS 53 -11.249 -7.292 3.238 444 1HD LYS 53 2HD LYS 53 -13.596 -8.437 4.554 445 2HD LYS 53 1HD LYS 53 -12.177 -8.343 5.598 446 1HE LYS 53 2HE LYS 53 -12.867 -6.237 5.962 447 2HE LYS 53 1HE LYS 53 -12.110 -5.907 4.405 448 1HZ LYS 53 1HZ LYS 53 -14.187 -6.056 3.316 449 2HZ LYS 53 2HZ LYS 53 -14.433 -5.066 4.665 450 3HZ LYS 53 3HZ LYS 53 -14.960 -6.674 4.689 451 H TYR 54 H TYR 54 -10.874 -12.305 1.788 452 HA TYR 54 HA TYR 54 -8.717 -12.906 1.390 453 1HB TYR 54 2HB TYR 54 -8.887 -10.351 -0.195 454 2HB TYR 54 1HB TYR 54 -7.403 -11.297 -0.130 455 HD1 TYR 54 1HD TYR 54 -10.916 -11.295 -1.246 456 HD2 TYR 54 2HD TYR 54 -7.191 -13.349 -1.341 457 HE1 TYR 54 1HE TYR 54 -11.757 -12.726 -3.060 458 HE2 TYR 54 2HE TYR 54 -8.022 -14.784 -3.156 459 HH TYR 54 HH TYR 54 -9.749 -14.698 -4.928 460 H GLY 55 H GLY 55 -9.276 -11.614 3.837 461 1HA GLY 55 2HA GLY 55 -7.381 -9.588 4.437 462 2HA GLY 55 1HA GLY 55 -8.248 -10.569 5.608 463 H ALA 56 H ALA 56 -7.350 -13.103 4.917 464 HA ALA 56 HA ALA 56 -4.832 -13.153 6.229 465 1HB ALA 56 1HB ALA 56 -5.921 -15.493 4.717 466 2HB ALA 56 2HB ALA 56 -6.711 -14.933 6.191 467 3HB ALA 56 3HB ALA 56 -5.029 -15.461 6.238 468 H GLU 57 H GLU 57 -5.828 -13.268 2.880 469 HA GLU 57 HA GLU 57 -3.270 -14.109 1.885 470 1HB GLU 57 2HB GLU 57 -5.557 -14.443 0.773 471 2HB GLU 57 1HB GLU 57 -5.431 -12.759 0.280 472 1HG GLU 57 2HG GLU 57 -4.252 -13.376 -1.479 473 2HG GLU 57 1HG GLU 57 -2.999 -14.001 -0.410 474 H ALA 58 H ALA 58 -4.861 -11.073 2.532 475 HA ALA 58 HA ALA 58 -3.299 -9.354 0.976 476 1HB ALA 58 1HB ALA 58 -4.533 -7.756 1.929 477 2HB ALA 58 2HB ALA 58 -4.036 -8.223 3.555 478 3HB ALA 58 3HB ALA 58 -5.373 -9.060 2.767 479 H SER 59 H SER 59 -2.854 -10.413 4.340 480 HA SER 59 HA SER 59 -0.417 -8.991 4.704 481 1HB SER 59 2HB SER 59 -0.194 -10.437 6.750 482 2HB SER 59 1HB SER 59 -1.720 -9.558 6.646 483 HG SER 59 HG SER 59 -1.968 -11.786 7.222 484 H ALA 60 H ALA 60 -1.223 -12.269 3.709 485 HA ALA 60 HA ALA 60 1.332 -13.401 3.892 486 1HB ALA 60 1HB ALA 60 -1.197 -14.071 2.553 487 2HB ALA 60 2HB ALA 60 -0.119 -15.079 3.518 488 3HB ALA 60 3HB ALA 60 0.249 -14.766 1.822 489 H PHE 61 H PHE 61 -0.279 -11.817 1.141 490 HA PHE 61 HA PHE 61 1.839 -12.158 -0.683 491 1HB PHE 61 2HB PHE 61 -0.306 -11.637 -1.570 492 2HB PHE 61 1HB PHE 61 -0.451 -10.197 -0.572 493 HD1 PHE 61 2HD PHE 61 2.610 -11.074 -2.418 494 HD2 PHE 61 1HD PHE 61 -0.917 -8.692 -2.357 495 HE1 PHE 61 2HE PHE 61 3.506 -9.706 -4.255 496 HE2 PHE 61 1HE PHE 61 -0.024 -7.321 -4.194 497 HZ PHE 61 HZ PHE 61 2.188 -7.825 -5.143 498 H THR 62 H THR 62 1.019 -9.478 1.490 499 HA THR 62 HA THR 62 3.194 -7.837 0.633 500 HB THR 62 HB THR 62 1.712 -7.615 3.251 501 HG1 THR 62 1HG THR 62 -0.003 -7.223 2.138 502 1HG2 THR 62 1HG2 THR 62 3.619 -5.956 1.906 503 2HG2 THR 62 2HG2 THR 62 2.877 -5.757 3.494 504 3HG2 THR 62 3HG2 THR 62 2.075 -5.117 2.059 505 H LYS 63 H LYS 63 2.717 -10.228 3.131 506 HA LYS 63 HA LYS 63 5.072 -9.629 4.616 507 1HB LYS 63 2HB LYS 63 3.284 -10.773 5.716 508 2HB LYS 63 1HB LYS 63 3.265 -12.042 4.503 509 1HG LYS 63 2HG LYS 63 5.829 -12.181 5.478 510 2HG LYS 63 1HG LYS 63 4.882 -11.769 6.908 511 1HD LYS 63 2HD LYS 63 3.321 -13.680 5.773 512 2HD LYS 63 1HD LYS 63 4.931 -14.240 5.317 513 1HE LYS 63 2HE LYS 63 5.584 -14.566 7.502 514 2HE LYS 63 1HE LYS 63 4.425 -13.397 8.133 515 1HZ LYS 63 1HZ LYS 63 2.800 -14.933 8.237 516 2HZ LYS 63 2HZ LYS 63 4.092 -16.024 8.303 517 3HZ LYS 63 3HZ LYS 63 3.298 -15.741 6.835 518 H LYS 64 H LYS 64 4.286 -12.007 2.101 519 HA LYS 64 HA LYS 64 6.899 -13.186 2.136 520 1HB LYS 64 2HB LYS 64 6.130 -14.386 0.118 521 2HB LYS 64 1HB LYS 64 4.997 -14.519 1.455 522 1HG LYS 64 2HG LYS 64 3.405 -13.871 0.062 523 2HG LYS 64 1HG LYS 64 4.159 -12.276 0.039 524 1HD LYS 64 2HD LYS 64 5.009 -12.571 -2.028 525 2HD LYS 64 1HD LYS 64 5.400 -14.267 -1.734 526 1HE LYS 64 2HE LYS 64 2.682 -14.338 -1.752 527 2HE LYS 64 1HE LYS 64 3.000 -13.052 -2.916 528 1HZ LYS 64 1HZ LYS 64 4.463 -14.573 -4.116 529 2HZ LYS 64 2HZ LYS 64 2.892 -15.190 -4.009 530 3HZ LYS 64 3HZ LYS 64 4.110 -15.806 -3.011 531 H MET 65 H MET 65 5.305 -10.667 0.293 532 HA MET 65 HA MET 65 7.279 -10.483 -1.749 533 1HB MET 65 2HB MET 65 4.999 -9.646 -2.068 534 2HB MET 65 1HB MET 65 5.254 -8.442 -0.813 535 1HG MET 65 2HG MET 65 6.698 -7.192 -2.129 536 2HG MET 65 1HG MET 65 7.026 -8.537 -3.219 537 1HE MET 65 1HE MET 65 6.571 -8.488 -5.182 538 2HE MET 65 2HE MET 65 5.766 -7.134 -5.976 539 3HE MET 65 3HE MET 65 4.927 -8.674 -5.792 540 H VAL 66 H VAL 66 6.924 -9.083 1.431 541 HA VAL 66 HA VAL 66 9.060 -7.171 1.003 542 HB VAL 66 HB VAL 66 8.719 -6.514 3.324 543 1HG1 VAL 66 1HG1 VAL 66 7.289 -5.305 1.999 544 2HG1 VAL 66 2HG1 VAL 66 6.145 -6.071 3.100 545 3HG1 VAL 66 3HG1 VAL 66 6.387 -6.729 1.482 546 1HG2 VAL 66 1HG2 VAL 66 8.262 -8.594 4.395 547 2HG2 VAL 66 2HG2 VAL 66 6.831 -8.860 3.404 548 3HG2 VAL 66 3HG2 VAL 66 6.840 -7.574 4.611 549 H GLU 67 H GLU 67 8.545 -10.109 2.936 550 HA GLU 67 HA GLU 67 11.152 -10.127 4.061 551 1HB GLU 67 2HB GLU 67 9.088 -12.309 3.750 552 2HB GLU 67 1HB GLU 67 10.592 -12.508 4.639 553 1HG GLU 67 2HG GLU 67 9.336 -10.160 5.595 554 2HG GLU 67 1HG GLU 67 8.119 -11.434 5.528 555 H ASN 68 H ASN 68 9.869 -11.154 1.029 556 HA ASN 68 HA ASN 68 12.208 -12.804 0.447 557 1HB ASN 68 2HB ASN 68 9.844 -13.512 -0.164 558 2HB ASN 68 1HB ASN 68 9.879 -12.246 -1.389 559 1HD2 ASN 68 1HD2 ASN 68 9.493 -14.885 -2.046 560 2HD2 ASN 68 2HD2 ASN 68 10.865 -15.465 -2.921 561 H ALA 69 H ALA 69 10.773 -9.730 -0.380 562 HA ALA 69 HA ALA 69 12.139 -9.100 -2.709 563 1HB ALA 69 1HB ALA 69 11.031 -7.442 -0.481 564 2HB ALA 69 2HB ALA 69 10.470 -7.600 -2.145 565 3HB ALA 69 3HB ALA 69 11.934 -6.683 -1.792 566 H LYS 70 H LYS 70 13.169 -8.747 0.654 567 HA LYS 70 HA LYS 70 15.293 -8.782 1.530 568 1HB LYS 70 2HB LYS 70 16.467 -8.320 -1.203 569 2HB LYS 70 1HB LYS 70 17.240 -9.014 0.216 570 1HG LYS 70 2HG LYS 70 15.258 -10.791 -0.136 571 2HG LYS 70 1HG LYS 70 15.504 -10.272 -1.805 572 1HD LYS 70 2HD LYS 70 17.523 -11.264 -1.947 573 2HD LYS 70 1HD LYS 70 17.968 -10.823 -0.297 574 1HE LYS 70 2HE LYS 70 16.036 -12.631 0.202 575 2HE LYS 70 1HE LYS 70 16.651 -13.256 -1.329 576 1HZ LYS 70 1HZ LYS 70 18.026 -12.992 1.256 577 2HZ LYS 70 2HZ LYS 70 18.935 -12.941 -0.169 578 3HZ LYS 70 3HZ LYS 70 17.996 -14.302 0.184 579 H LYS 71 H LYS 71 14.316 -6.391 -0.820 580 HA LYS 71 HA LYS 71 15.584 -4.329 0.846 581 1HB LYS 71 2HB LYS 71 16.895 -4.567 -1.204 582 2HB LYS 71 1HB LYS 71 15.443 -4.368 -2.175 583 1HG LYS 71 2HG LYS 71 15.538 -2.127 -0.505 584 2HG LYS 71 1HG LYS 71 17.191 -2.376 -1.068 585 1HD LYS 71 2HD LYS 71 15.223 -2.696 -3.189 586 2HD LYS 71 1HD LYS 71 15.169 -1.096 -2.449 587 1HE LYS 71 2HE LYS 71 17.697 -1.052 -2.743 588 2HE LYS 71 1HE LYS 71 17.491 -2.458 -3.787 589 1HZ LYS 71 1HZ LYS 71 16.336 0.246 -4.189 590 2HZ LYS 71 2HZ LYS 71 15.937 -1.100 -5.132 591 3HZ LYS 71 3HZ LYS 71 17.521 -0.507 -5.133 592 H ILE 72 H ILE 72 14.102 -3.023 1.684 593 HA ILE 72 HA ILE 72 11.613 -2.577 0.168 594 HB ILE 72 HB ILE 72 11.889 -2.611 3.175 595 1HG1 ILE 72 2HG1 ILE 72 10.390 -4.690 2.874 596 2HG1 ILE 72 1HG1 ILE 72 10.945 -4.684 1.203 597 1HG2 ILE 72 1HG2 ILE 72 9.448 -2.526 3.173 598 2HG2 ILE 72 2HG2 ILE 72 9.448 -2.441 1.411 599 3HG2 ILE 72 3HG2 ILE 72 10.135 -1.121 2.357 600 1HD1 ILE 72 1HD1 ILE 72 12.148 -6.072 3.122 601 2HD1 ILE 72 2HD1 ILE 72 13.021 -4.550 3.299 602 3HD1 ILE 72 3HD1 ILE 72 13.019 -5.391 1.749 603 H GLU 73 H GLU 73 10.926 -0.535 -0.106 604 HA GLU 73 HA GLU 73 12.403 1.620 1.251 605 1HB GLU 73 2HB GLU 73 11.696 1.335 -1.660 606 2HB GLU 73 1HB GLU 73 12.034 2.903 -0.944 607 1HG GLU 73 2HG GLU 73 14.245 2.000 -0.211 608 2HG GLU 73 1HG GLU 73 13.893 0.552 -1.155 609 H VAL 74 H VAL 74 11.186 3.292 2.036 610 HA VAL 74 HA VAL 74 8.288 3.159 1.503 611 HB VAL 74 HB VAL 74 7.909 4.120 3.719 612 1HG1 VAL 74 1HG1 VAL 74 9.665 1.859 4.414 613 2HG1 VAL 74 2HG1 VAL 74 8.467 1.546 3.157 614 3HG1 VAL 74 3HG1 VAL 74 7.951 2.114 4.745 615 1HG2 VAL 74 1HG2 VAL 74 10.889 4.183 3.782 616 2HG2 VAL 74 2HG2 VAL 74 9.997 3.966 5.286 617 3HG2 VAL 74 3HG2 VAL 74 9.728 5.404 4.301 618 H GLU 75 H GLU 75 7.136 5.095 1.287 619 HA GLU 75 HA GLU 75 8.772 7.514 0.913 620 1HB GLU 75 2HB GLU 75 8.278 6.599 -1.281 621 2HB GLU 75 1HB GLU 75 6.569 6.488 -0.886 622 1HG GLU 75 2HG GLU 75 6.477 8.938 -0.705 623 2HG GLU 75 1HG GLU 75 8.172 9.016 -1.181 624 H PHE 76 H PHE 76 8.132 9.015 2.307 625 HA PHE 76 HA PHE 76 5.422 8.953 3.379 626 1HB PHE 76 2HB PHE 76 7.981 10.284 4.174 627 2HB PHE 76 1HB PHE 76 6.458 10.956 4.746 628 HD1 PHE 76 2HD PHE 76 5.051 9.712 6.293 629 HD2 PHE 76 1HD PHE 76 8.787 8.164 4.965 630 HE1 PHE 76 2HE PHE 76 5.008 8.058 8.113 631 HE2 PHE 76 1HE PHE 76 8.751 6.508 6.784 632 HZ PHE 76 HZ PHE 76 6.861 6.453 8.361 633 H ASP 77 H ASP 77 3.868 10.092 2.446 634 HA ASP 77 HA ASP 77 4.516 12.247 0.620 635 1HB ASP 77 2HB ASP 77 2.384 10.381 0.902 636 2HB ASP 77 1HB ASP 77 1.696 11.997 1.018 637 H LYS 78 H LYS 78 2.220 13.856 0.961 638 HA LYS 78 HA LYS 78 3.136 15.568 3.054 639 1HB LYS 78 2HB LYS 78 1.119 15.682 0.903 640 2HB LYS 78 1HB LYS 78 0.746 16.640 2.329 641 1HG LYS 78 2HG LYS 78 1.884 18.061 0.826 642 2HG LYS 78 1HG LYS 78 3.025 17.667 2.113 643 1HD LYS 78 2HD LYS 78 4.433 16.662 0.693 644 2HD LYS 78 1HD LYS 78 3.129 15.773 -0.095 645 1HE LYS 78 2HE LYS 78 2.679 17.538 -1.579 646 2HE LYS 78 1HE LYS 78 3.593 18.694 -0.612 647 1HZ LYS 78 1HZ LYS 78 4.637 16.524 -2.330 648 2HZ LYS 78 2HZ LYS 78 5.598 17.286 -1.164 649 3HZ LYS 78 3HZ LYS 78 4.942 18.184 -2.439 650 H GLY 79 H GLY 79 0.807 13.039 2.863 651 1HA GLY 79 2HA GLY 79 -1.054 13.788 4.790 652 2HA GLY 79 1HA GLY 79 -0.592 12.131 4.437 653 H GLN 80 H GLN 80 -1.284 12.579 6.946 654 HA GLN 80 HA GLN 80 0.749 13.498 8.676 655 1HB GLN 80 2HB GLN 80 -0.518 12.379 10.451 656 2HB GLN 80 1HB GLN 80 -1.580 13.296 9.391 657 1HG GLN 80 2HG GLN 80 -1.777 10.957 8.172 658 2HG GLN 80 1HG GLN 80 -1.342 10.367 9.776 659 1HE2 GLN 80 1HE2 GLN 80 -2.601 11.920 11.489 660 2HE2 GLN 80 2HE2 GLN 80 -4.312 11.889 11.254 661 H ARG 81 H ARG 81 2.503 12.536 9.512 662 HA ARG 81 HA ARG 81 3.457 10.108 8.375 663 1HB ARG 81 2HB ARG 81 4.765 12.166 9.309 664 2HB ARG 81 1HB ARG 81 4.634 11.327 10.848 665 1HG ARG 81 2HG ARG 81 5.617 9.310 9.578 666 2HG ARG 81 1HG ARG 81 6.102 10.508 8.377 667 1HD ARG 81 2HD ARG 81 6.813 11.547 10.901 668 2HD ARG 81 1HD ARG 81 7.327 9.860 10.881 669 HE ARG 81 HE ARG 81 8.192 10.850 8.496 670 1HH1 ARG 81 1HH1 ARG 81 8.630 11.785 11.829 671 2HH1 ARG 81 2HH1 ARG 81 10.202 12.463 11.562 672 1HH2 ARG 81 1HH2 ARG 81 10.258 11.740 8.144 673 2HH2 ARG 81 2HH2 ARG 81 11.126 12.438 9.470 674 H THR 82 H THR 82 1.502 10.811 11.092 675 HA THR 82 HA THR 82 1.575 7.997 11.876 676 HB THR 82 HB THR 82 1.802 8.449 14.199 677 HG1 THR 82 1HG THR 82 1.594 11.188 13.503 678 1HG2 THR 82 1HG2 THR 82 3.769 10.056 12.609 679 2HG2 THR 82 2HG2 THR 82 3.968 8.451 13.311 680 3HG2 THR 82 3HG2 THR 82 3.890 9.867 14.358 681 H ASP 83 H ASP 83 -0.438 7.329 11.558 682 HA ASP 83 HA ASP 83 -2.680 9.112 11.633 683 1HB ASP 83 2HB ASP 83 -2.295 6.958 10.189 684 2HB ASP 83 1HB ASP 83 -2.972 6.130 11.588 685 H LYS 84 H LYS 84 -1.929 9.609 13.997 686 HA LYS 84 HA LYS 84 -2.351 9.538 16.234 687 1HB LYS 84 2HB LYS 84 -4.920 8.156 15.477 688 2HB LYS 84 1HB LYS 84 -4.621 9.195 16.863 689 1HG LYS 84 2HG LYS 84 -4.308 10.294 14.108 690 2HG LYS 84 1HG LYS 84 -5.921 10.096 14.797 691 1HD LYS 84 2HD LYS 84 -4.621 11.292 16.856 692 2HD LYS 84 1HD LYS 84 -3.791 12.009 15.474 693 1HE LYS 84 2HE LYS 84 -6.261 12.313 14.597 694 2HE LYS 84 1HE LYS 84 -6.637 12.233 16.317 695 1HZ LYS 84 1HZ LYS 84 -5.492 14.163 16.748 696 2HZ LYS 84 2HZ LYS 84 -6.130 14.504 15.218 697 3HZ LYS 84 3HZ LYS 84 -4.512 14.036 15.374 698 H TYR 85 H TYR 85 -1.025 7.186 15.004 699 HA TYR 85 HA TYR 85 -1.477 5.336 17.233 700 1HB TYR 85 2HB TYR 85 -1.499 4.644 14.304 701 2HB TYR 85 1HB TYR 85 -1.077 3.446 15.524 702 HD1 TYR 85 2HD TYR 85 -2.835 3.349 17.549 703 HD2 TYR 85 1HD TYR 85 -3.691 4.718 13.614 704 HE1 TYR 85 2HE TYR 85 -5.221 2.873 17.909 705 HE2 TYR 85 1HE TYR 85 -6.079 4.248 13.962 706 HH TYR 85 HH TYR 85 -7.626 4.089 16.138 707 H GLY 86 H GLY 86 0.620 7.361 16.141 708 1HA GLY 86 2HA GLY 86 2.907 7.546 16.124 709 2HA GLY 86 1HA GLY 86 2.883 6.202 17.253 710 H ARG 87 H ARG 87 1.536 5.722 14.104 711 HA ARG 87 HA ARG 87 3.652 3.814 13.511 712 1HB ARG 87 2HB ARG 87 1.143 4.388 11.929 713 2HB ARG 87 1HB ARG 87 2.195 2.987 11.774 714 1HG ARG 87 2HG ARG 87 1.436 3.004 14.449 715 2HG ARG 87 1HG ARG 87 -0.024 3.438 13.559 716 1HD ARG 87 2HD ARG 87 0.577 1.451 12.035 717 2HD ARG 87 1HD ARG 87 1.647 0.957 13.346 718 HE ARG 87 HE ARG 87 -1.225 0.810 13.297 719 1HH1 ARG 87 1HH1 ARG 87 1.600 0.971 15.341 720 2HH1 ARG 87 2HH1 ARG 87 0.814 0.236 16.698 721 1HH2 ARG 87 1HH2 ARG 87 -2.260 -0.155 15.080 722 2HH2 ARG 87 2HH2 ARG 87 -1.377 -0.404 16.550 723 H GLY 88 H GLY 88 3.786 3.733 10.826 724 1HA GLY 88 2HA GLY 88 4.815 6.411 10.116 725 2HA GLY 88 1HA GLY 88 5.606 4.916 9.644 726 H LEU 89 H LEU 89 2.660 6.826 9.213 727 HA LEU 89 HA LEU 89 1.526 5.347 7.131 728 1HB LEU 89 2HB LEU 89 1.304 8.146 8.101 729 2HB LEU 89 1HB LEU 89 0.684 7.805 6.498 730 HG LEU 89 HG LEU 89 -0.218 6.560 9.092 731 1HD1 LEU 89 1HD1 LEU 89 -1.396 8.490 9.044 732 2HD1 LEU 89 2HD1 LEU 89 -2.424 7.552 7.960 733 3HD1 LEU 89 3HD1 LEU 89 -1.236 8.676 7.298 734 1HD2 LEU 89 1HD2 LEU 89 -0.819 5.842 6.242 735 2HD2 LEU 89 2HD2 LEU 89 -1.964 5.507 7.541 736 3HD2 LEU 89 3HD2 LEU 89 -0.355 4.785 7.576 737 H ALA 90 H ALA 90 2.203 4.965 5.130 738 HA ALA 90 HA ALA 90 3.120 6.833 3.303 739 1HB ALA 90 1HB ALA 90 5.301 5.579 4.921 740 2HB ALA 90 2HB ALA 90 5.123 7.250 4.382 741 3HB ALA 90 3HB ALA 90 5.581 5.996 3.229 742 H TYR 91 H TYR 91 4.155 5.797 1.355 743 HA TYR 91 HA TYR 91 2.784 3.323 0.803 744 1HB TYR 91 2HB TYR 91 4.526 5.120 -0.888 745 2HB TYR 91 1HB TYR 91 3.801 3.633 -1.491 746 HD1 TYR 91 1HD TYR 91 3.110 7.043 -0.295 747 HD2 TYR 91 2HD TYR 91 1.459 3.518 -2.013 748 HE1 TYR 91 1HE TYR 91 1.054 8.278 -0.839 749 HE2 TYR 91 2HE TYR 91 -0.600 4.744 -2.562 750 HH TYR 91 HH TYR 91 -0.824 8.155 -2.347 751 H ILE 92 H ILE 92 3.683 1.337 0.378 752 HA ILE 92 HA ILE 92 6.463 1.002 1.260 753 HB ILE 92 HB ILE 92 4.344 -1.125 0.933 754 1HG1 ILE 92 2HG1 ILE 92 3.774 0.562 2.675 755 2HG1 ILE 92 1HG1 ILE 92 4.054 -1.046 3.335 756 1HG2 ILE 92 1HG2 ILE 92 5.882 -2.642 1.502 757 2HG2 ILE 92 2HG2 ILE 92 6.559 -1.616 2.765 758 3HG2 ILE 92 3HG2 ILE 92 7.070 -1.407 1.091 759 1HD1 ILE 92 1HD1 ILE 92 5.140 1.262 4.282 760 2HD1 ILE 92 2HD1 ILE 92 6.440 0.633 3.270 761 3HD1 ILE 92 3HD1 ILE 92 5.777 -0.357 4.571 762 H TYR 93 H TYR 93 8.006 0.159 -0.039 763 HA TYR 93 HA TYR 93 7.195 -0.840 -2.683 764 1HB TYR 93 2HB TYR 93 9.491 1.060 -2.158 765 2HB TYR 93 1HB TYR 93 9.063 0.365 -3.718 766 HD1 TYR 93 1HD TYR 93 7.959 2.706 -1.079 767 HD2 TYR 93 2HD TYR 93 7.330 1.307 -5.049 768 HE1 TYR 93 1HE TYR 93 6.465 4.612 -1.508 769 HE2 TYR 93 2HE TYR 93 5.836 3.210 -5.487 770 HH TYR 93 HH TYR 93 5.737 5.832 -4.098 771 H ALA 94 H ALA 94 8.159 -2.687 -3.278 772 HA ALA 94 HA ALA 94 10.402 -3.646 -1.626 773 1HB ALA 94 1HB ALA 94 8.870 -5.605 -3.209 774 2HB ALA 94 2HB ALA 94 8.002 -4.834 -1.883 775 3HB ALA 94 3HB ALA 94 9.498 -5.713 -1.565 776 H ASP 95 H ASP 95 12.294 -3.995 -2.577 777 HA ASP 95 HA ASP 95 13.906 -3.865 -4.203 778 1HB ASP 95 2HB ASP 95 12.904 -6.261 -4.194 779 2HB ASP 95 1HB ASP 95 12.209 -5.802 -5.746 780 H GLY 96 H GLY 96 12.128 -1.751 -4.534 781 1HA GLY 96 2HA GLY 96 11.842 -0.083 -6.107 782 2HA GLY 96 1HA GLY 96 12.592 -1.132 -7.298 783 H LYS 97 H LYS 97 9.886 -2.333 -5.503 784 HA LYS 97 HA LYS 97 8.174 -1.926 -7.867 785 1HB LYS 97 2HB LYS 97 8.783 -4.262 -7.709 786 2HB LYS 97 1HB LYS 97 8.318 -4.309 -6.015 787 1HG LYS 97 2HG LYS 97 6.123 -4.512 -6.479 788 2HG LYS 97 1HG LYS 97 6.216 -3.471 -7.901 789 1HD LYS 97 2HD LYS 97 7.563 -5.470 -8.914 790 2HD LYS 97 1HD LYS 97 6.756 -6.400 -7.649 791 1HE LYS 97 2HE LYS 97 4.658 -6.050 -8.549 792 2HE LYS 97 1HE LYS 97 5.153 -4.587 -9.399 793 1HZ LYS 97 1HZ LYS 97 4.772 -6.807 -10.683 794 2HZ LYS 97 2HZ LYS 97 6.350 -7.150 -10.181 795 3HZ LYS 97 3HZ LYS 97 6.042 -5.777 -11.118 796 H MET 98 H MET 98 5.959 -1.560 -7.510 797 HA MET 98 HA MET 98 5.398 -0.216 -5.011 798 1HB MET 98 2HB MET 98 4.151 -0.348 -7.700 799 2HB MET 98 1HB MET 98 3.079 -0.011 -6.349 800 1HG MET 98 2HG MET 98 4.333 1.934 -5.755 801 2HG MET 98 1HG MET 98 5.581 1.549 -6.938 802 1HE MET 98 1HE MET 98 2.822 4.638 -7.496 803 2HE MET 98 2HE MET 98 3.454 3.850 -6.051 804 3HE MET 98 3HE MET 98 1.870 3.398 -6.681 805 H VAL 99 H VAL 99 4.692 -1.327 -3.317 806 HA VAL 99 HA VAL 99 3.556 -3.930 -3.517 807 HB VAL 99 HB VAL 99 3.487 -2.095 -1.118 808 1HG1 VAL 99 1HG1 VAL 99 3.821 -4.704 -0.275 809 2HG1 VAL 99 2HG1 VAL 99 2.675 -4.842 -1.609 810 3HG1 VAL 99 3HG1 VAL 99 2.317 -3.782 -0.246 811 1HG2 VAL 99 1HG2 VAL 99 5.638 -4.026 -1.986 812 2HG2 VAL 99 2HG2 VAL 99 5.582 -3.194 -0.432 813 3HG2 VAL 99 3HG2 VAL 99 5.770 -2.269 -1.922 814 H ASN 100 H ASN 100 2.219 -0.736 -2.718 815 HA ASN 100 HA ASN 100 -0.402 -1.490 -2.189 816 1HB ASN 100 2HB ASN 100 -0.971 0.867 -2.967 817 2HB ASN 100 1HB ASN 100 0.231 0.739 -1.686 818 1HD2 ASN 100 1HD2 ASN 100 -0.444 2.548 -4.161 819 2HD2 ASN 100 2HD2 ASN 100 1.127 2.886 -4.797 820 H GLU 101 H GLU 101 1.027 -0.485 -5.290 821 HA GLU 101 HA GLU 101 -1.294 -0.761 -6.836 822 1HB GLU 101 2HB GLU 101 1.631 -0.931 -7.551 823 2HB GLU 101 1HB GLU 101 0.356 -1.033 -8.757 824 1HG GLU 101 2HG GLU 101 -0.404 1.213 -7.538 825 2HG GLU 101 1HG GLU 101 1.325 1.286 -7.203 826 H ALA 102 H ALA 102 1.354 -3.056 -6.232 827 HA ALA 102 HA ALA 102 0.385 -5.146 -7.822 828 1HB ALA 102 1HB ALA 102 2.663 -4.808 -6.547 829 2HB ALA 102 2HB ALA 102 2.067 -6.420 -6.937 830 3HB ALA 102 3HB ALA 102 1.855 -5.771 -5.311 831 H LEU 103 H LEU 103 -0.309 -4.255 -4.484 832 HA LEU 103 HA LEU 103 -1.780 -6.603 -3.847 833 1HB LEU 103 2HB LEU 103 -1.616 -3.866 -2.618 834 2HB LEU 103 1HB LEU 103 -2.708 -5.088 -1.995 835 HG LEU 103 HG LEU 103 0.157 -5.834 -2.309 836 1HD1 LEU 103 1HD1 LEU 103 -0.901 -3.842 -0.343 837 2HD1 LEU 103 2HD1 LEU 103 0.604 -3.817 -1.261 838 3HD1 LEU 103 3HD1 LEU 103 0.419 -4.924 0.100 839 1HD2 LEU 103 1HD2 LEU 103 -1.532 -6.383 0.076 840 2HD2 LEU 103 2HD2 LEU 103 -0.317 -7.392 -0.706 841 3HD2 LEU 103 3HD2 LEU 103 -1.914 -7.213 -1.431 842 H VAL 104 H VAL 104 -2.831 -3.289 -4.644 843 HA VAL 104 HA VAL 104 -5.587 -3.927 -4.714 844 HB VAL 104 HB VAL 104 -4.234 -1.648 -6.156 845 1HG1 VAL 104 1HG1 VAL 104 -6.274 -0.747 -6.488 846 2HG1 VAL 104 2HG1 VAL 104 -6.908 -1.350 -4.956 847 3HG1 VAL 104 3HG1 VAL 104 -6.806 -2.423 -6.352 848 1HG2 VAL 104 1HG2 VAL 104 -3.584 -0.939 -4.142 849 2HG2 VAL 104 2HG2 VAL 104 -4.540 -2.168 -3.314 850 3HG2 VAL 104 3HG2 VAL 104 -5.291 -0.650 -3.805 851 H ARG 105 H ARG 105 -3.133 -3.610 -7.259 852 HA ARG 105 HA ARG 105 -4.826 -4.036 -9.453 853 1HB ARG 105 2HB ARG 105 -2.542 -3.181 -9.686 854 2HB ARG 105 1HB ARG 105 -1.897 -4.726 -9.147 855 1HG ARG 105 2HG ARG 105 -2.377 -5.776 -11.127 856 2HG ARG 105 1HG ARG 105 -3.689 -4.664 -11.522 857 1HD ARG 105 2HD ARG 105 -2.312 -3.205 -12.537 858 2HD ARG 105 1HD ARG 105 -1.043 -3.415 -11.331 859 HE ARG 105 HE ARG 105 -0.948 -5.728 -12.719 860 1HH1 ARG 105 1HH1 ARG 105 -0.909 -2.376 -13.689 861 2HH1 ARG 105 2HH1 ARG 105 0.049 -2.667 -15.102 862 1HH2 ARG 105 1HH2 ARG 105 0.312 -6.113 -14.577 863 2HH2 ARG 105 2HH2 ARG 105 0.741 -4.787 -15.607 864 H GLN 106 H GLN 106 -3.338 -6.242 -7.200 865 HA GLN 106 HA GLN 106 -4.057 -8.577 -8.774 866 1HB GLN 106 2HB GLN 106 -2.667 -8.210 -6.124 867 2HB GLN 106 1HB GLN 106 -3.127 -9.795 -6.731 868 1HG GLN 106 2HG GLN 106 -1.628 -8.145 -8.631 869 2HG GLN 106 1HG GLN 106 -0.741 -8.594 -7.175 870 1HE2 GLN 106 1HE2 GLN 106 0.112 -10.566 -7.056 871 2HE2 GLN 106 2HE2 GLN 106 -0.179 -11.849 -8.175 872 H GLY 107 H GLY 107 -5.269 -6.716 -6.105 873 1HA GLY 107 2HA GLY 107 -7.567 -6.801 -5.483 874 2HA GLY 107 1HA GLY 107 -7.618 -8.476 -6.015 875 H LEU 108 H LEU 108 -5.379 -6.797 -3.827 876 HA LEU 108 HA LEU 108 -6.186 -8.688 -1.714 877 1HB LEU 108 2HB LEU 108 -3.504 -7.825 -2.659 878 2HB LEU 108 1HB LEU 108 -3.705 -8.083 -0.937 879 HG LEU 108 HG LEU 108 -2.841 -10.096 -1.889 880 1HD1 LEU 108 1HD1 LEU 108 -5.636 -10.983 -1.683 881 2HD1 LEU 108 2HD1 LEU 108 -5.045 -10.019 -0.331 882 3HD1 LEU 108 3HD1 LEU 108 -4.206 -11.501 -0.789 883 1HD2 LEU 108 1HD2 LEU 108 -4.629 -9.426 -4.066 884 2HD2 LEU 108 2HD2 LEU 108 -4.791 -11.112 -3.578 885 3HD2 LEU 108 3HD2 LEU 108 -3.215 -10.478 -4.049 886 H ALA 109 H ALA 109 -5.225 -5.413 -2.518 887 HA ALA 109 HA ALA 109 -6.159 -4.558 0.141 888 1HB ALA 109 1HB ALA 109 -3.825 -3.477 -1.426 889 2HB ALA 109 2HB ALA 109 -3.776 -4.310 0.127 890 3HB ALA 109 3HB ALA 109 -4.501 -2.707 0.009 891 H LYS 110 H LYS 110 -7.486 -2.801 0.222 892 HA LYS 110 HA LYS 110 -8.497 -1.839 -2.351 893 1HB LYS 110 2HB LYS 110 -10.407 -0.979 -1.011 894 2HB LYS 110 1HB LYS 110 -10.190 -2.718 -0.879 895 1HG LYS 110 2HG LYS 110 -10.148 -2.529 1.320 896 2HG LYS 110 1HG LYS 110 -8.686 -1.550 1.198 897 1HD LYS 110 2HD LYS 110 -9.786 0.330 1.701 898 2HD LYS 110 1HD LYS 110 -11.091 -0.039 0.572 899 1HE LYS 110 2HE LYS 110 -11.563 -1.844 2.552 900 2HE LYS 110 1HE LYS 110 -10.910 -0.487 3.468 901 1HZ LYS 110 1HZ LYS 110 -13.001 0.006 1.463 902 2HZ LYS 110 2HZ LYS 110 -12.645 0.866 2.876 903 3HZ LYS 110 3HZ LYS 110 -13.437 -0.625 2.971 904 H VAL 111 H VAL 111 -9.520 0.561 -1.876 905 HA VAL 111 HA VAL 111 -7.147 2.195 -1.419 906 HB VAL 111 HB VAL 111 -9.836 3.098 -2.449 907 1HG1 VAL 111 1HG1 VAL 111 -8.114 4.795 -3.537 908 2HG1 VAL 111 2HG1 VAL 111 -7.172 4.362 -2.110 909 3HG1 VAL 111 3HG1 VAL 111 -8.784 5.050 -1.925 910 1HG2 VAL 111 1HG2 VAL 111 -7.439 2.032 -3.925 911 2HG2 VAL 111 2HG2 VAL 111 -8.690 3.006 -4.696 912 3HG2 VAL 111 3HG2 VAL 111 -9.101 1.447 -3.982 913 H ALA 112 H ALA 112 -6.811 3.087 0.495 914 HA ALA 112 HA ALA 112 -8.752 3.152 2.560 915 1HB ALA 112 1HB ALA 112 -6.125 3.142 2.641 916 2HB ALA 112 2HB ALA 112 -7.068 3.893 3.928 917 3HB ALA 112 3HB ALA 112 -6.337 4.892 2.672 918 H TYR 113 H TYR 113 -8.349 5.674 3.740 919 HA TYR 113 HA TYR 113 -9.316 7.632 1.806 920 1HB TYR 113 2HB TYR 113 -10.904 6.600 4.142 921 2HB TYR 113 1HB TYR 113 -11.166 8.226 3.517 922 HD1 TYR 113 1HD TYR 113 -10.912 7.827 0.622 923 HD2 TYR 113 2HD TYR 113 -12.799 5.391 3.555 924 HE1 TYR 113 1HE TYR 113 -12.413 6.923 -1.104 925 HE2 TYR 113 2HE TYR 113 -14.305 4.480 1.838 926 HH TYR 113 HH TYR 113 -15.181 5.471 -0.555 927 H VAL 114 H VAL 114 -7.825 9.172 2.087 928 HA VAL 114 HA VAL 114 -6.912 9.831 4.785 929 HB VAL 114 HB VAL 114 -5.908 10.875 2.135 930 1HG1 VAL 114 1HG1 VAL 114 -3.866 11.234 3.832 931 2HG1 VAL 114 2HG1 VAL 114 -5.212 11.423 4.955 932 3HG1 VAL 114 3HG1 VAL 114 -5.097 12.462 3.534 933 1HG2 VAL 114 1HG2 VAL 114 -4.463 9.154 1.990 934 2HG2 VAL 114 2HG2 VAL 114 -5.643 8.326 3.005 935 3HG2 VAL 114 3HG2 VAL 114 -4.222 9.074 3.734 936 H TYR 115 H TYR 115 -7.686 11.520 5.863 937 HA TYR 115 HA TYR 115 -9.780 13.116 4.948 938 1HB TYR 115 2HB TYR 115 -7.855 13.933 7.123 939 2HB TYR 115 1HB TYR 115 -9.558 14.352 6.973 940 HD1 TYR 115 2HD TYR 115 -10.932 11.888 6.545 941 HD2 TYR 115 1HD TYR 115 -7.533 12.626 8.996 942 HE1 TYR 115 2HE TYR 115 -11.532 9.961 7.949 943 HE2 TYR 115 1HE TYR 115 -8.124 10.700 10.405 944 HH TYR 115 HH TYR 115 -10.037 9.350 10.972 945 H LYS 116 H LYS 116 -6.303 13.786 5.093 946 HA LYS 116 HA LYS 116 -6.294 15.455 2.849 947 1HB LYS 116 2HB LYS 116 -5.879 17.650 3.954 948 2HB LYS 116 1HB LYS 116 -7.523 17.060 4.156 949 1HG LYS 116 2HG LYS 116 -7.312 16.832 6.387 950 2HG LYS 116 1HG LYS 116 -5.626 16.323 6.285 951 1HD LYS 116 2HD LYS 116 -4.834 18.480 6.302 952 2HD LYS 116 1HD LYS 116 -6.314 19.142 5.606 953 1HE LYS 116 2HE LYS 116 -6.234 17.970 8.371 954 2HE LYS 116 1HE LYS 116 -5.829 19.658 8.061 955 1HZ LYS 116 1HZ LYS 116 -8.417 18.304 7.888 956 2HZ LYS 116 2HZ LYS 116 -8.120 19.569 6.805 957 3HZ LYS 116 3HZ LYS 116 -8.042 19.847 8.472 958 H GLY 117 H GLY 117 -4.213 16.122 2.274 959 1HA GLY 117 2HA GLY 117 -1.908 16.571 2.872 960 2HA GLY 117 1HA GLY 117 -2.067 15.386 4.159 961 H ASN 118 H ASN 118 -3.281 13.304 2.746 962 HA ASN 118 HA ASN 118 -1.104 12.554 0.912 963 1HB ASN 118 2HB ASN 118 -1.871 11.288 3.220 964 2HB ASN 118 1HB ASN 118 -2.747 10.374 1.996 965 1HD2 ASN 118 1HD2 ASN 118 -1.677 8.930 0.798 966 2HD2 ASN 118 2HD2 ASN 118 0.031 8.672 0.852 967 H ASN 119 H ASN 119 -1.949 13.165 -1.027 968 HA ASN 119 HA ASN 119 -4.018 11.476 -2.114 969 1HB ASN 119 2HB ASN 119 -4.498 14.331 -1.464 970 2HB ASN 119 1HB ASN 119 -5.064 13.781 -3.037 971 1HD2 ASN 119 1HD2 ASN 119 -6.003 14.267 0.021 972 2HD2 ASN 119 2HD2 ASN 119 -7.268 13.098 0.148 973 H THR 120 H THR 120 -1.219 11.873 -2.578 974 HA THR 120 HA THR 120 -1.015 13.343 -5.073 975 HB THR 120 HB THR 120 1.066 11.673 -3.651 976 HG1 THR 120 1HG THR 120 0.506 13.358 -2.325 977 1HG2 THR 120 1HG2 THR 120 1.119 13.042 -6.164 978 2HG2 THR 120 2HG2 THR 120 2.366 12.063 -5.390 979 3HG2 THR 120 3HG2 THR 120 2.252 13.787 -5.036 980 H HIS 121 H HIS 121 -0.638 9.979 -3.978 981 HA HIS 121 HA HIS 121 -0.573 9.074 -6.749 982 1HB HIS 121 2HB HIS 121 -0.285 7.515 -4.173 983 2HB HIS 121 1HB HIS 121 -0.064 6.862 -5.793 984 HD1 HIS 121 1HD HIS 121 1.451 9.562 -3.584 985 HD2 HIS 121 2HD HIS 121 2.497 6.983 -6.669 986 HE1 HIS 121 1HE HIS 121 3.925 9.870 -3.907 987 HE2 HIS 121 2HE HIS 121 4.551 8.234 -5.719 988 H GLU 122 H GLU 122 -3.013 10.080 -5.083 989 HA GLU 122 HA GLU 122 -4.800 7.936 -4.780 990 1HB GLU 122 2HB GLU 122 -4.900 10.524 -4.113 991 2HB GLU 122 1HB GLU 122 -5.875 10.589 -5.574 992 1HG GLU 122 2HG GLU 122 -6.957 8.446 -4.309 993 2HG GLU 122 1HG GLU 122 -6.487 9.460 -2.945 994 H GLN 123 H GLN 123 -3.577 9.396 -7.606 995 HA GLN 123 HA GLN 123 -5.832 8.924 -9.300 996 1HB GLN 123 2HB GLN 123 -2.953 9.257 -10.145 997 2HB GLN 123 1HB GLN 123 -4.391 9.547 -11.115 998 1HG GLN 123 2HG GLN 123 -4.983 11.348 -9.432 999 2HG GLN 123 1HG GLN 123 -3.342 11.162 -8.816 1000 1HE2 GLN 123 1HE2 GLN 123 -1.875 12.446 -9.663 1001 2HE2 GLN 123 2HE2 GLN 123 -1.966 13.224 -11.203 1002 H LEU 124 H LEU 124 -2.656 7.320 -8.997 1003 HA LEU 124 HA LEU 124 -3.373 5.169 -10.716 1004 1HB LEU 124 2HB LEU 124 -1.316 4.077 -9.634 1005 2HB LEU 124 1HB LEU 124 -1.083 5.523 -10.598 1006 HG LEU 124 HG LEU 124 -1.494 6.065 -7.746 1007 1HD1 LEU 124 1HD1 LEU 124 0.715 4.279 -8.675 1008 2HD1 LEU 124 2HD1 LEU 124 -0.267 4.181 -7.213 1009 3HD1 LEU 124 3HD1 LEU 124 0.984 5.416 -7.353 1010 1HD2 LEU 124 1HD2 LEU 124 -0.675 7.548 -9.747 1011 2HD2 LEU 124 2HD2 LEU 124 0.895 6.855 -9.341 1012 3HD2 LEU 124 3HD2 LEU 124 -0.005 7.768 -8.130 1013 H LEU 125 H LEU 125 -3.527 5.697 -7.258 1014 HA LEU 125 HA LEU 125 -3.965 3.047 -6.441 1015 1HB LEU 125 2HB LEU 125 -4.740 5.701 -5.262 1016 2HB LEU 125 1HB LEU 125 -5.164 4.190 -4.481 1017 HG LEU 125 HG LEU 125 -2.316 4.474 -5.191 1018 1HD1 LEU 125 1HD1 LEU 125 -1.747 6.211 -3.884 1019 2HD1 LEU 125 2HD1 LEU 125 -3.018 5.881 -2.707 1020 3HD1 LEU 125 3HD1 LEU 125 -3.401 6.738 -4.200 1021 1HD2 LEU 125 1HD2 LEU 125 -1.993 3.357 -3.120 1022 2HD2 LEU 125 2HD2 LEU 125 -3.364 2.584 -3.914 1023 3HD2 LEU 125 3HD2 LEU 125 -3.637 3.721 -2.594 1024 H ARG 126 H ARG 126 -6.267 5.630 -7.263 1025 HA ARG 126 HA ARG 126 -8.588 4.066 -6.851 1026 1HB ARG 126 2HB ARG 126 -8.161 6.698 -7.233 1027 2HB ARG 126 1HB ARG 126 -8.692 6.252 -8.849 1028 1HG ARG 126 2HG ARG 126 -10.636 5.073 -7.539 1029 2HG ARG 126 1HG ARG 126 -10.194 6.233 -6.284 1030 1HD ARG 126 2HD ARG 126 -10.383 8.029 -8.040 1031 2HD ARG 126 1HD ARG 126 -11.087 6.810 -9.100 1032 HE ARG 126 HE ARG 126 -13.040 6.944 -7.909 1033 1HH1 ARG 126 1HH1 ARG 126 -10.494 8.501 -6.099 1034 2HH1 ARG 126 2HH1 ARG 126 -11.570 9.156 -4.911 1035 1HH2 ARG 126 1HH2 ARG 126 -14.455 7.804 -6.347 1036 2HH2 ARG 126 2HH2 ARG 126 -13.819 8.760 -5.050 1037 H LYS 127 H LYS 127 -6.455 4.532 -9.582 1038 HA LYS 127 HA LYS 127 -8.149 3.428 -11.565 1039 1HB LYS 127 2HB LYS 127 -5.526 4.515 -11.432 1040 2HB LYS 127 1HB LYS 127 -5.403 2.938 -12.198 1041 1HG LYS 127 2HG LYS 127 -5.861 4.090 -14.064 1042 2HG LYS 127 1HG LYS 127 -7.531 3.949 -13.511 1043 1HD LYS 127 2HD LYS 127 -6.048 6.216 -12.376 1044 2HD LYS 127 1HD LYS 127 -6.288 6.293 -14.123 1045 1HE LYS 127 2HE LYS 127 -8.755 5.559 -13.353 1046 2HE LYS 127 1HE LYS 127 -8.252 6.458 -11.922 1047 1HZ LYS 127 1HZ LYS 127 -9.128 8.123 -13.185 1048 2HZ LYS 127 2HZ LYS 127 -8.695 7.412 -14.657 1049 3HZ LYS 127 3HZ LYS 127 -7.524 8.193 -13.719 1050 H SER 128 H SER 128 -5.499 2.025 -9.650 1051 HA SER 128 HA SER 128 -5.644 -0.564 -10.714 1052 1HB SER 128 2HB SER 128 -3.876 0.550 -9.130 1053 2HB SER 128 1HB SER 128 -4.890 -0.111 -7.847 1054 HG SER 128 HG SER 128 -3.362 -1.641 -8.350 1055 H GLU 129 H GLU 129 -7.351 0.955 -8.026 1056 HA GLU 129 HA GLU 129 -8.601 -1.400 -7.070 1057 1HB GLU 129 2HB GLU 129 -8.399 0.621 -5.703 1058 2HB GLU 129 1HB GLU 129 -9.456 1.488 -6.808 1059 1HG GLU 129 2HG GLU 129 -10.985 -0.668 -6.146 1060 2HG GLU 129 1HG GLU 129 -10.103 -0.368 -4.649 1061 H ALA 130 H ALA 130 -9.664 1.155 -9.290 1062 HA ALA 130 HA ALA 130 -12.267 0.233 -9.724 1063 1HB ALA 130 1HB ALA 130 -10.398 2.033 -11.138 1064 2HB ALA 130 2HB ALA 130 -12.059 2.305 -10.611 1065 3HB ALA 130 3HB ALA 130 -11.740 1.387 -12.083 1066 H GLN 131 H GLN 131 -9.254 -0.508 -11.446 1067 HA GLN 131 HA GLN 131 -10.367 -2.131 -13.443 1068 1HB GLN 131 2HB GLN 131 -7.621 -2.304 -12.189 1069 2HB GLN 131 1HB GLN 131 -8.096 -3.038 -13.715 1070 1HG GLN 131 2HG GLN 131 -8.779 -0.348 -13.958 1071 2HG GLN 131 1HG GLN 131 -7.207 -0.359 -13.162 1072 1HE2 GLN 131 1HE2 GLN 131 -8.669 -2.449 -15.625 1073 2HE2 GLN 131 2HE2 GLN 131 -7.417 -2.237 -16.796 1074 H ALA 132 H ALA 132 -9.223 -2.888 -10.189 1075 HA ALA 132 HA ALA 132 -9.608 -5.712 -10.463 1076 1HB ALA 132 1HB ALA 132 -9.209 -3.987 -8.021 1077 2HB ALA 132 2HB ALA 132 -7.975 -4.898 -8.893 1078 3HB ALA 132 3HB ALA 132 -9.242 -5.751 -8.011 1079 H LYS 133 H LYS 133 -11.570 -3.015 -9.447 1080 HA LYS 133 HA LYS 133 -13.585 -4.564 -8.147 1081 1HB LYS 133 2HB LYS 133 -12.988 -1.951 -8.101 1082 2HB LYS 133 1HB LYS 133 -14.271 -1.918 -9.304 1083 1HG LYS 133 2HG LYS 133 -14.512 -3.055 -6.526 1084 2HG LYS 133 1HG LYS 133 -15.109 -1.480 -7.050 1085 1HD LYS 133 2HD LYS 133 -17.031 -2.558 -7.463 1086 2HD LYS 133 1HD LYS 133 -16.213 -3.158 -8.906 1087 1HE LYS 133 2HE LYS 133 -15.623 -5.191 -7.829 1088 2HE LYS 133 1HE LYS 133 -16.104 -4.570 -6.251 1089 1HZ LYS 133 1HZ LYS 133 -18.410 -4.370 -7.313 1090 2HZ LYS 133 2HZ LYS 133 -17.867 -5.910 -6.876 1091 3HZ LYS 133 3HZ LYS 133 -17.816 -5.425 -8.495 1092 H LYS 134 H LYS 134 -13.416 -2.947 -11.316 1093 HA LYS 134 HA LYS 134 -15.919 -3.886 -12.229 1094 1HB LYS 134 2HB LYS 134 -13.564 -3.164 -13.972 1095 2HB LYS 134 1HB LYS 134 -15.271 -3.079 -14.385 1096 1HG LYS 134 2HG LYS 134 -15.521 -1.061 -13.459 1097 2HG LYS 134 1HG LYS 134 -14.536 -1.476 -12.054 1098 1HD LYS 134 2HD LYS 134 -13.074 -0.020 -12.961 1099 2HD LYS 134 1HD LYS 134 -12.643 -1.389 -13.988 1100 1HE LYS 134 2HE LYS 134 -14.660 -0.449 -15.433 1101 2HE LYS 134 1HE LYS 134 -14.217 1.052 -14.621 1102 1HZ LYS 134 1HZ LYS 134 -12.796 1.208 -16.339 1103 2HZ LYS 134 2HZ LYS 134 -12.779 -0.456 -16.642 1104 3HZ LYS 134 3HZ LYS 134 -11.827 0.187 -15.400 1105 H GLU 135 H GLU 135 -12.676 -5.209 -12.348 1106 HA GLU 135 HA GLU 135 -13.465 -7.397 -14.076 1107 1HB GLU 135 2HB GLU 135 -10.882 -6.690 -12.689 1108 2HB GLU 135 1HB GLU 135 -11.091 -8.177 -13.602 1109 1HG GLU 135 2HG GLU 135 -11.951 -6.333 -15.395 1110 2HG GLU 135 1HG GLU 135 -10.708 -5.430 -14.532 1111 H LYS 136 H LYS 136 -13.156 -6.763 -10.681 1112 HA LYS 136 HA LYS 136 -13.602 -8.012 -8.834 1113 1HB LYS 136 2HB LYS 136 -14.905 -9.911 -10.794 1114 2HB LYS 136 1HB LYS 136 -15.155 -9.887 -9.055 1115 1HG LYS 136 2HG LYS 136 -15.682 -7.324 -10.349 1116 2HG LYS 136 1HG LYS 136 -16.723 -8.634 -10.905 1117 1HD LYS 136 2HD LYS 136 -16.728 -9.015 -8.199 1118 2HD LYS 136 1HD LYS 136 -16.640 -7.256 -8.320 1119 1HE LYS 136 2HE LYS 136 -18.734 -7.084 -9.122 1120 2HE LYS 136 1HE LYS 136 -18.571 -8.518 -10.135 1121 1HZ LYS 136 1HZ LYS 136 -18.690 -8.986 -7.269 1122 2HZ LYS 136 2HZ LYS 136 -19.401 -9.848 -8.538 1123 3HZ LYS 136 3HZ LYS 136 -20.116 -8.421 -7.982 1124 H LEU 137 H LEU 137 -11.178 -8.282 -9.011 1125 HA LEU 137 HA LEU 137 -10.138 -10.786 -9.902 1126 1HB LEU 137 2HB LEU 137 -9.032 -8.493 -8.316 1127 2HB LEU 137 1HB LEU 137 -8.122 -9.983 -8.477 1128 HG LEU 137 HG LEU 137 -9.130 -8.590 -10.928 1129 1HD1 LEU 137 1HD1 LEU 137 -6.739 -7.836 -9.272 1130 2HD1 LEU 137 2HD1 LEU 137 -8.036 -6.797 -9.864 1131 3HD1 LEU 137 3HD1 LEU 137 -6.860 -7.470 -10.992 1132 1HD2 LEU 137 1HD2 LEU 137 -7.155 -10.675 -10.230 1133 2HD2 LEU 137 2HD2 LEU 137 -6.718 -9.572 -11.534 1134 3HD2 LEU 137 3HD2 LEU 137 -8.198 -10.525 -11.644 1135 H ASN 138 H ASN 138 -9.762 -9.508 -6.611 1136 HA ASN 138 HA ASN 138 -10.714 -12.086 -5.566 1137 1HB ASN 138 2HB ASN 138 -8.116 -10.698 -5.038 1138 2HB ASN 138 1HB ASN 138 -8.855 -11.646 -3.751 1139 1HD2 ASN 138 1HD2 ASN 138 -6.540 -12.552 -4.406 1140 2HD2 ASN 138 2HD2 ASN 138 -6.614 -13.940 -5.431 1141 H ILE 139 H ILE 139 -9.398 -9.143 -4.056 1142 HA ILE 139 HA ILE 139 -11.117 -9.075 -1.895 1143 HB ILE 139 HB ILE 139 -10.623 -6.630 -1.761 1144 1HG1 ILE 139 2HG1 ILE 139 -9.149 -7.190 -4.345 1145 2HG1 ILE 139 1HG1 ILE 139 -10.530 -6.119 -4.141 1146 1HG2 ILE 139 1HG2 ILE 139 -8.927 -7.481 -0.601 1147 2HG2 ILE 139 2HG2 ILE 139 -7.947 -7.311 -2.056 1148 3HG2 ILE 139 3HG2 ILE 139 -8.757 -8.839 -1.713 1149 1HD1 ILE 139 1HD1 ILE 139 -7.683 -5.699 -3.474 1150 2HD1 ILE 139 2HD1 ILE 139 -8.879 -4.984 -2.392 1151 3HD1 ILE 139 3HD1 ILE 139 -8.885 -4.573 -4.107 1152 H TRP 140 H TRP 140 -11.551 -7.679 -5.111 1153 HA TRP 140 HA TRP 140 -14.192 -6.683 -4.350 1154 1HB TRP 140 2HB TRP 140 -12.698 -6.357 -6.959 1155 2HB TRP 140 1HB TRP 140 -14.188 -5.538 -6.504 1156 HD1 TRP 140 HD TRP 140 -10.869 -4.574 -6.975 1157 HE1 TRP 140 1HE TRP 140 -10.085 -2.723 -5.367 1158 HE3 TRP 140 3HE TRP 140 -14.522 -4.983 -3.418 1159 HZ2 TRP 140 2HZ TRP 140 -10.906 -1.586 -2.919 1160 HZ3 TRP 140 3HZ TRP 140 -14.449 -3.476 -1.475 1161 HH2 TRP 140 HH TRP 140 -12.677 -1.812 -1.232 1162 H SER 141 H SER 141 -13.414 -9.589 -4.785 1163 HA SER 141 HA SER 141 -15.232 -10.237 -6.997 1164 1HB SER 141 2HB SER 141 -12.765 -11.234 -6.520 1165 2HB SER 141 1HB SER 141 -13.742 -12.412 -5.644 1166 HG SER 141 HG SER 141 -13.371 -12.905 -7.904 1167 H GLU 142 H GLU 142 -15.857 -9.431 -4.102 1168 HA GLU 142 HA GLU 142 -18.020 -11.296 -3.764 1169 1HB GLU 142 2HB GLU 142 -17.433 -11.944 -1.469 1170 2HB GLU 142 1HB GLU 142 -16.243 -12.518 -2.629 1171 1HG GLU 142 2HG GLU 142 -14.761 -11.687 -1.183 1172 2HG GLU 142 1HG GLU 142 -15.164 -10.139 -1.924 1173 H ASP 143 H ASP 143 -17.543 -8.419 -4.186 1174 HA ASP 143 HA ASP 143 -18.858 -7.364 -1.771 1175 1HB ASP 143 2HB ASP 143 -16.645 -6.358 -2.208 1176 2HB ASP 143 1HB ASP 143 -17.195 -5.860 -3.805 1177 H ASN 144 H ASN 144 -20.587 -8.575 -3.307 1178 HA ASN 144 HA ASN 144 -21.621 -7.282 -5.545 1179 1HB ASN 144 2HB ASN 144 -22.239 -9.569 -4.404 1180 2HB ASN 144 1HB ASN 144 -23.464 -8.602 -3.588 1181 1HD2 ASN 144 1HD2 ASN 144 -24.144 -10.671 -5.254 1182 2HD2 ASN 144 2HD2 ASN 144 -24.900 -10.043 -6.675 1183 H ALA 145 H ALA 145 -22.020 -5.154 -5.573 1184 HA ALA 145 HA ALA 145 -22.782 -3.561 -3.418 1185 1HB ALA 145 1HB ALA 145 -21.906 -2.907 -5.764 1186 2HB ALA 145 2HB ALA 145 -23.026 -1.825 -4.936 1187 3HB ALA 145 3HB ALA 145 -23.611 -2.889 -6.214 1188 H ASP 146 H ASP 146 -24.699 -5.498 -5.605 1189 HA ASP 146 HA ASP 146 -26.909 -6.027 -5.669 1190 1HB ASP 146 2HB ASP 146 -26.192 -6.296 -3.097 1191 2HB ASP 146 1HB ASP 146 -27.402 -5.031 -2.912 1192 H SER 147 H SER 147 -26.899 -4.048 -7.120 1193 HA SER 147 HA SER 147 -27.863 -1.562 -6.256 1194 1HB SER 147 2HB SER 147 -26.842 -1.778 -8.433 1195 2HB SER 147 1HB SER 147 -28.081 -2.921 -8.950 1196 HG SER 147 HG SER 147 -28.623 -0.248 -8.175 1197 H GLY 148 H GLY 148 -29.561 -1.978 -4.784 1198 1HA GLY 148 2HA GLY 148 -32.048 -1.472 -5.199 1199 2HA GLY 148 1HA GLY 148 -32.035 -3.050 -5.970 1200 H GLN 149 H GLN 149 -33.026 -1.599 -3.298 1201 HA GLN 149 HA GLN 149 -33.646 -2.297 -1.225 1202 1HB GLN 149 2HB GLN 149 -32.889 -5.077 -2.125 1203 2HB GLN 149 1HB GLN 149 -34.019 -4.637 -0.854 1204 1HG GLN 149 2HG GLN 149 -35.690 -4.146 -2.310 1205 2HG GLN 149 1HG GLN 149 -34.582 -3.644 -3.586 1206 1HE2 GLN 149 1HE2 GLN 149 -34.774 -6.648 -1.725 1207 2HE2 GLN 149 2HE2 GLN 149 -34.991 -7.686 -3.089 Start of MODEL 2 1 1H ALA 1 1HT ALA 1 12.872 26.727 -7.170 2 2H ALA 1 2HT ALA 1 13.950 28.054 -7.026 3 3H ALA 1 3HT ALA 1 12.587 27.936 -5.990 4 HA ALA 1 HA ALA 1 14.668 25.879 -6.072 5 1HB ALA 1 1HB ALA 1 16.062 27.538 -5.413 6 2HB ALA 1 2HB ALA 1 15.304 27.222 -3.852 7 3HB ALA 1 3HB ALA 1 14.747 28.568 -4.846 8 H THR 2 H THR 2 14.710 24.722 -3.997 9 HA THR 2 HA THR 2 13.689 23.496 -2.378 10 HB THR 2 HB THR 2 11.762 25.771 -1.976 11 HG1 THR 2 1HG THR 2 13.335 26.823 -0.805 12 1HG2 THR 2 1HG2 THR 2 11.402 23.877 -0.533 13 2HG2 THR 2 2HG2 THR 2 12.059 25.224 0.396 14 3HG2 THR 2 3HG2 THR 2 13.101 23.876 -0.061 15 H SER 3 H SER 3 12.738 23.344 -5.126 16 HA SER 3 HA SER 3 10.388 21.789 -4.658 17 1HB SER 3 2HB SER 3 9.985 24.128 -6.516 18 2HB SER 3 1HB SER 3 8.771 23.031 -5.855 19 HG SER 3 HG SER 3 8.795 24.094 -3.994 20 H THR 4 H THR 4 13.046 21.478 -5.778 21 HA THR 4 HA THR 4 12.372 20.785 -8.560 22 HB THR 4 HB THR 4 14.818 20.829 -8.984 23 HG1 THR 4 1HG THR 4 15.395 20.463 -6.743 24 1HG2 THR 4 1HG2 THR 4 14.938 23.049 -9.356 25 2HG2 THR 4 2HG2 THR 4 14.366 23.466 -7.740 26 3HG2 THR 4 3HG2 THR 4 13.218 22.955 -8.977 27 H LYS 5 H LYS 5 11.670 19.148 -6.326 28 HA LYS 5 HA LYS 5 13.220 16.756 -7.015 29 1HB LYS 5 2HB LYS 5 12.798 17.925 -4.313 30 2HB LYS 5 1HB LYS 5 12.710 16.174 -4.457 31 1HG LYS 5 2HG LYS 5 14.922 15.957 -4.836 32 2HG LYS 5 1HG LYS 5 15.026 17.464 -5.748 33 1HD LYS 5 2HD LYS 5 14.594 18.575 -3.431 34 2HD LYS 5 1HD LYS 5 15.139 17.023 -2.792 35 1HE LYS 5 2HE LYS 5 16.823 18.181 -4.909 36 2HE LYS 5 1HE LYS 5 16.781 19.090 -3.398 37 1HZ LYS 5 1HZ LYS 5 17.143 16.217 -3.149 38 2HZ LYS 5 2HZ LYS 5 17.878 17.479 -2.298 39 3HZ LYS 5 3HZ LYS 5 18.436 17.064 -3.839 40 H LYS 6 H LYS 6 12.085 14.747 -6.621 41 HA LYS 6 HA LYS 6 9.158 15.099 -6.642 42 1HB LYS 6 2HB LYS 6 10.695 12.855 -7.953 43 2HB LYS 6 1HB LYS 6 8.983 13.220 -8.126 44 1HG LYS 6 2HG LYS 6 10.836 15.380 -8.885 45 2HG LYS 6 1HG LYS 6 10.860 13.941 -9.907 46 1HD LYS 6 2HD LYS 6 9.153 14.967 -10.962 47 2HD LYS 6 1HD LYS 6 8.194 14.316 -9.630 48 1HE LYS 6 2HE LYS 6 8.832 16.511 -8.418 49 2HE LYS 6 1HE LYS 6 9.231 17.097 -10.032 50 1HZ LYS 6 1HZ LYS 6 6.639 16.534 -8.852 51 2HZ LYS 6 2HZ LYS 6 6.821 16.067 -10.467 52 3HZ LYS 6 3HZ LYS 6 7.072 17.679 -10.020 53 H LEU 7 H LEU 7 8.307 12.553 -6.368 54 HA LEU 7 HA LEU 7 9.007 11.989 -3.600 55 1HB LEU 7 2HB LEU 7 6.892 10.688 -5.312 56 2HB LEU 7 1HB LEU 7 7.043 10.585 -3.568 57 HG LEU 7 HG LEU 7 6.721 13.297 -4.736 58 1HD1 LEU 7 1HD1 LEU 7 4.433 13.127 -5.140 59 2HD1 LEU 7 2HD1 LEU 7 4.309 11.565 -4.332 60 3HD1 LEU 7 3HD1 LEU 7 5.102 11.684 -5.902 61 1HD2 LEU 7 1HD2 LEU 7 6.947 13.194 -2.389 62 2HD2 LEU 7 2HD2 LEU 7 5.809 11.851 -2.262 63 3HD2 LEU 7 3HD2 LEU 7 5.231 13.460 -2.697 64 H HIS 8 H HIS 8 10.680 10.684 -3.261 65 HA HIS 8 HA HIS 8 10.955 8.297 -4.969 66 1HB HIS 8 2HB HIS 8 12.794 9.905 -5.310 67 2HB HIS 8 1HB HIS 8 13.159 9.844 -3.589 68 HD1 HIS 8 1HD HIS 8 13.438 7.831 -6.738 69 HD2 HIS 8 2HD HIS 8 14.591 7.605 -2.752 70 HE1 HIS 8 1HE HIS 8 15.071 5.922 -6.618 71 HE2 HIS 8 2HE HIS 8 15.690 5.750 -4.182 72 H LYS 9 H LYS 9 10.925 6.374 -3.984 73 HA LYS 9 HA LYS 9 10.325 6.197 -1.209 74 1HB LYS 9 2HB LYS 9 10.503 3.715 -1.624 75 2HB LYS 9 1HB LYS 9 9.349 4.568 -2.640 76 1HG LYS 9 2HG LYS 9 12.049 4.335 -3.767 77 2HG LYS 9 1HG LYS 9 11.194 2.808 -3.545 78 1HD LYS 9 2HD LYS 9 9.242 4.357 -4.632 79 2HD LYS 9 1HD LYS 9 10.680 5.011 -5.420 80 1HE LYS 9 2HE LYS 9 11.304 2.763 -6.150 81 2HE LYS 9 1HE LYS 9 9.878 2.104 -5.351 82 1HZ LYS 9 1HZ LYS 9 8.741 3.926 -6.894 83 2HZ LYS 9 2HZ LYS 9 9.024 2.341 -7.410 84 3HZ LYS 9 3HZ LYS 9 10.091 3.576 -7.852 85 H GLU 10 H GLU 10 11.524 5.134 0.433 86 HA GLU 10 HA GLU 10 14.147 4.187 0.161 87 1HB GLU 10 2HB GLU 10 14.636 6.553 -0.379 88 2HB GLU 10 1HB GLU 10 13.978 7.029 1.180 89 1HG GLU 10 2HG GLU 10 15.819 5.187 1.931 90 2HG GLU 10 1HG GLU 10 16.583 5.878 0.500 91 H ALA 11 H ALA 11 14.585 3.004 1.925 92 HA ALA 11 HA ALA 11 13.599 3.833 4.528 93 1HB ALA 11 1HB ALA 11 11.700 2.603 3.768 94 2HB ALA 11 2HB ALA 11 12.548 1.607 4.948 95 3HB ALA 11 3HB ALA 11 12.711 1.265 3.227 96 H ALA 12 H ALA 12 14.403 0.497 3.783 97 HA ALA 12 HA ALA 12 17.129 0.433 4.018 98 1HB ALA 12 1HB ALA 12 16.680 -0.293 6.725 99 2HB ALA 12 2HB ALA 12 15.996 1.311 6.475 100 3HB ALA 12 3HB ALA 12 17.689 1.006 6.089 101 H THR 13 H THR 13 14.843 -1.209 6.208 102 HA THR 13 HA THR 13 14.787 -3.561 4.530 103 HB THR 13 HB THR 13 16.209 -3.572 7.194 104 HG1 THR 13 1HG THR 13 17.622 -3.184 5.568 105 1HG2 THR 13 1HG2 THR 13 14.985 -5.831 5.688 106 2HG2 THR 13 2HG2 THR 13 15.071 -5.547 7.427 107 3HG2 THR 13 3HG2 THR 13 16.506 -6.076 6.547 108 H LEU 14 H LEU 14 13.215 -5.079 5.160 109 HA LEU 14 HA LEU 14 11.184 -3.959 6.944 110 1HB LEU 14 2HB LEU 14 10.326 -4.452 4.794 111 2HB LEU 14 1HB LEU 14 11.111 -6.018 4.756 112 HG LEU 14 HG LEU 14 9.113 -5.621 6.901 113 1HD1 LEU 14 1HD1 LEU 14 7.628 -4.738 5.451 114 2HD1 LEU 14 2HD1 LEU 14 7.455 -6.418 4.945 115 3HD1 LEU 14 3HD1 LEU 14 8.496 -5.322 4.034 116 1HD2 LEU 14 1HD2 LEU 14 10.266 -7.734 6.648 117 2HD2 LEU 14 2HD2 LEU 14 9.754 -7.845 4.964 118 3HD2 LEU 14 3HD2 LEU 14 8.558 -7.937 6.258 119 H ILE 15 H ILE 15 10.852 -4.786 8.907 120 HA ILE 15 HA ILE 15 12.379 -7.024 9.828 121 HB ILE 15 HB ILE 15 10.219 -5.395 11.172 122 1HG1 ILE 15 2HG1 ILE 15 12.476 -4.949 12.575 123 2HG1 ILE 15 1HG1 ILE 15 13.178 -5.274 10.994 124 1HG2 ILE 15 1HG2 ILE 15 11.414 -6.558 13.244 125 2HG2 ILE 15 2HG2 ILE 15 11.639 -7.842 12.057 126 3HG2 ILE 15 3HG2 ILE 15 10.015 -7.271 12.441 127 1HD1 ILE 15 1HD1 ILE 15 12.795 -2.887 11.397 128 2HD1 ILE 15 2HD1 ILE 15 11.068 -3.206 11.556 129 3HD1 ILE 15 3HD1 ILE 15 11.879 -3.495 10.017 130 H LYS 16 H LYS 16 8.856 -6.450 9.559 131 HA LYS 16 HA LYS 16 8.291 -8.975 8.469 132 1HB LYS 16 2HB LYS 16 9.027 -9.466 10.940 133 2HB LYS 16 1HB LYS 16 7.400 -8.922 11.326 134 1HG LYS 16 2HG LYS 16 7.525 -10.884 9.158 135 2HG LYS 16 1HG LYS 16 8.097 -11.479 10.717 136 1HD LYS 16 2HD LYS 16 6.039 -11.107 11.750 137 2HD LYS 16 1HD LYS 16 5.510 -9.982 10.499 138 1HE LYS 16 2HE LYS 16 4.298 -11.812 9.885 139 2HE LYS 16 1HE LYS 16 5.773 -12.127 8.972 140 1HZ LYS 16 1HZ LYS 16 4.902 -14.060 10.247 141 2HZ LYS 16 2HZ LYS 16 5.255 -13.229 11.677 142 3HZ LYS 16 3HZ LYS 16 6.503 -13.655 10.618 143 H ALA 17 H ALA 17 6.268 -9.010 7.667 144 HA ALA 17 HA ALA 17 4.651 -6.668 7.907 145 1HB ALA 17 1HB ALA 17 4.891 -8.059 5.833 146 2HB ALA 17 2HB ALA 17 3.231 -7.662 6.278 147 3HB ALA 17 3HB ALA 17 3.874 -9.271 6.611 148 H ILE 18 H ILE 18 2.768 -6.349 9.009 149 HA ILE 18 HA ILE 18 2.095 -8.380 11.008 150 HB ILE 18 HB ILE 18 1.122 -5.528 10.908 151 1HG1 ILE 18 2HG1 ILE 18 3.137 -6.240 12.924 152 2HG1 ILE 18 1HG1 ILE 18 3.742 -6.280 11.271 153 1HG2 ILE 18 1HG2 ILE 18 0.760 -7.806 12.740 154 2HG2 ILE 18 2HG2 ILE 18 -0.297 -6.434 12.407 155 3HG2 ILE 18 3HG2 ILE 18 1.075 -6.246 13.499 156 1HD1 ILE 18 1HD1 ILE 18 2.348 -3.919 11.357 157 2HD1 ILE 18 2HD1 ILE 18 4.094 -4.103 11.527 158 3HD1 ILE 18 3HD1 ILE 18 3.072 -4.020 12.962 159 H ASP 19 H ASP 19 0.444 -6.197 8.707 160 HA ASP 19 HA ASP 19 -1.500 -8.252 8.139 161 1HB ASP 19 2HB ASP 19 -2.160 -5.874 9.813 162 2HB ASP 19 1HB ASP 19 -3.358 -6.426 8.647 163 H GLY 20 H GLY 20 0.283 -7.218 6.393 164 1HA GLY 20 2HA GLY 20 0.344 -6.415 4.238 165 2HA GLY 20 1HA GLY 20 -1.398 -6.222 4.330 166 H ASP 21 H ASP 21 -2.032 -4.303 5.864 167 HA ASP 21 HA ASP 21 -0.721 -1.971 4.769 168 1HB ASP 21 2HB ASP 21 -2.556 -0.720 5.863 169 2HB ASP 21 1HB ASP 21 -3.152 -2.005 4.816 170 H THR 22 H THR 22 -0.322 -3.894 7.463 171 HA THR 22 HA THR 22 1.051 -1.720 8.885 172 HB THR 22 HB THR 22 -0.093 -4.045 10.388 173 HG1 THR 22 1HG THR 22 -1.886 -3.303 9.324 174 1HG2 THR 22 1HG2 THR 22 -0.512 -1.723 11.807 175 2HG2 THR 22 2HG2 THR 22 1.058 -1.474 11.042 176 3HG2 THR 22 3HG2 THR 22 0.787 -2.888 12.060 177 H VAL 23 H VAL 23 3.176 -2.087 8.860 178 HA VAL 23 HA VAL 23 4.183 -4.755 9.423 179 HB VAL 23 HB VAL 23 4.072 -4.956 7.067 180 1HG1 VAL 23 1HG1 VAL 23 5.134 -3.234 5.568 181 2HG1 VAL 23 2HG1 VAL 23 5.208 -2.174 6.976 182 3HG1 VAL 23 3HG1 VAL 23 3.647 -2.734 6.375 183 1HG2 VAL 23 1HG2 VAL 23 6.202 -5.601 6.654 184 2HG2 VAL 23 2HG2 VAL 23 6.402 -5.234 8.368 185 3HG2 VAL 23 3HG2 VAL 23 6.883 -4.052 7.151 186 H LYS 24 H LYS 24 6.219 -4.785 10.303 187 HA LYS 24 HA LYS 24 7.222 -2.223 11.229 188 1HB LYS 24 2HB LYS 24 6.968 -4.340 12.663 189 2HB LYS 24 1HB LYS 24 8.411 -4.920 11.845 190 1HG LYS 24 2HG LYS 24 9.769 -3.587 13.026 191 2HG LYS 24 1HG LYS 24 8.655 -2.220 12.952 192 1HD LYS 24 2HD LYS 24 7.250 -3.710 14.611 193 2HD LYS 24 1HD LYS 24 8.825 -4.435 14.940 194 1HE LYS 24 2HE LYS 24 8.841 -1.508 14.891 195 2HE LYS 24 1HE LYS 24 7.826 -2.199 16.156 196 1HZ LYS 24 1HZ LYS 24 9.598 -3.008 17.258 197 2HZ LYS 24 2HZ LYS 24 10.432 -1.789 16.434 198 3HZ LYS 24 3HZ LYS 24 10.465 -3.377 15.852 199 H LEU 25 H LEU 25 8.563 -1.134 9.965 200 HA LEU 25 HA LEU 25 10.534 -2.630 8.363 201 1HB LEU 25 2HB LEU 25 8.632 -0.803 7.522 202 2HB LEU 25 1HB LEU 25 10.101 0.152 7.599 203 HG LEU 25 HG LEU 25 10.126 -2.477 6.171 204 1HD1 LEU 25 1HD1 LEU 25 9.733 -0.587 4.202 205 2HD1 LEU 25 2HD1 LEU 25 8.549 -0.153 5.436 206 3HD1 LEU 25 3HD1 LEU 25 8.558 -1.780 4.755 207 1HD2 LEU 25 1HD2 LEU 25 12.061 -1.734 5.258 208 2HD2 LEU 25 2HD2 LEU 25 12.097 -0.759 6.727 209 3HD2 LEU 25 3HD2 LEU 25 11.525 -0.055 5.215 210 H MET 26 H MET 26 12.638 -2.243 8.657 211 HA MET 26 HA MET 26 13.455 -0.570 10.844 212 1HB MET 26 2HB MET 26 14.440 -2.871 9.840 213 2HB MET 26 1HB MET 26 15.498 -1.721 9.034 214 1HG MET 26 2HG MET 26 16.079 -0.765 11.230 215 2HG MET 26 1HG MET 26 15.084 -1.999 12.001 216 1HE MET 26 1HE MET 26 17.229 -3.756 13.354 217 2HE MET 26 2HE MET 26 17.168 -1.994 13.328 218 3HE MET 26 3HE MET 26 18.667 -2.830 12.925 219 H TYR 27 H TYR 27 13.318 1.563 10.446 220 HA TYR 27 HA TYR 27 14.425 2.604 7.939 221 1HB TYR 27 2HB TYR 27 12.096 3.248 8.639 222 2HB TYR 27 1HB TYR 27 12.806 4.092 10.011 223 HD1 TYR 27 1HD TYR 27 14.124 3.965 6.541 224 HD2 TYR 27 2HD TYR 27 12.234 6.322 9.537 225 HE1 TYR 27 1HE TYR 27 14.426 5.967 5.147 226 HE2 TYR 27 2HE TYR 27 12.532 8.331 8.151 227 HH TYR 27 HH TYR 27 13.511 8.171 4.866 228 H LYS 28 H LYS 28 16.135 3.947 7.878 229 HA LYS 28 HA LYS 28 18.202 4.658 8.531 230 1HB LYS 28 2HB LYS 28 18.135 6.631 9.810 231 2HB LYS 28 1HB LYS 28 16.589 6.550 8.981 232 1HG LYS 28 2HG LYS 28 16.331 5.273 11.515 233 2HG LYS 28 1HG LYS 28 17.093 6.846 11.741 234 1HD LYS 28 2HD LYS 28 15.277 7.996 10.908 235 2HD LYS 28 1HD LYS 28 14.702 6.617 9.971 236 1HE LYS 28 2HE LYS 28 13.713 5.616 11.804 237 2HE LYS 28 1HE LYS 28 14.741 6.471 12.953 238 1HZ LYS 28 1HZ LYS 28 13.389 8.256 12.971 239 2HZ LYS 28 2HZ LYS 28 12.219 7.136 12.482 240 3HZ LYS 28 3HZ LYS 28 12.976 8.121 11.335 241 H GLY 29 H GLY 29 17.426 2.139 9.816 242 1HA GLY 29 2HA GLY 29 18.807 0.793 11.161 243 2HA GLY 29 1HA GLY 29 19.430 2.240 11.933 244 H GLN 30 H GLN 30 15.988 1.989 11.693 245 HA GLN 30 HA GLN 30 15.824 0.841 14.379 246 1HB GLN 30 2HB GLN 30 14.418 2.607 15.222 247 2HB GLN 30 1HB GLN 30 15.923 3.303 14.639 248 1HG GLN 30 2HG GLN 30 14.914 4.332 12.851 249 2HG GLN 30 1HG GLN 30 13.553 3.214 12.836 250 1HE2 GLN 30 1HE2 GLN 30 15.059 5.524 15.073 251 2HE2 GLN 30 2HE2 GLN 30 13.578 6.240 15.599 252 H ALA 31 H ALA 31 14.157 -0.493 14.662 253 HA ALA 31 HA ALA 31 12.450 -1.075 12.421 254 1HB ALA 31 1HB ALA 31 12.666 -2.295 15.166 255 2HB ALA 31 2HB ALA 31 13.312 -2.930 13.653 256 3HB ALA 31 3HB ALA 31 11.569 -2.873 13.912 257 H MET 32 H MET 32 10.997 0.559 12.119 258 HA MET 32 HA MET 32 9.218 1.215 14.368 259 1HB MET 32 2HB MET 32 8.646 3.252 13.150 260 2HB MET 32 1HB MET 32 10.385 3.141 13.388 261 1HG MET 32 2HG MET 32 10.719 2.475 11.117 262 2HG MET 32 1HG MET 32 8.981 2.345 10.853 263 1HE MET 32 1HE MET 32 7.834 5.194 9.514 264 2HE MET 32 2HE MET 32 7.526 5.502 11.223 265 3HE MET 32 3HE MET 32 7.464 3.854 10.598 266 H THR 33 H THR 33 6.947 1.344 13.981 267 HA THR 33 HA THR 33 6.014 -0.730 12.219 268 HB THR 33 HB THR 33 4.225 1.129 13.758 269 HG1 THR 33 1HG THR 33 4.762 0.225 15.603 270 1HG2 THR 33 1HG2 THR 33 4.056 -1.693 12.811 271 2HG2 THR 33 2HG2 THR 33 2.892 -0.379 12.642 272 3HG2 THR 33 3HG2 THR 33 3.117 -1.161 14.207 273 H PHE 34 H PHE 34 5.795 -0.333 10.126 274 HA PHE 34 HA PHE 34 4.997 2.326 9.216 275 1HB PHE 34 2HB PHE 34 6.359 -0.015 7.976 276 2HB PHE 34 1HB PHE 34 5.412 1.028 6.921 277 HD1 PHE 34 1HD PHE 34 8.334 0.836 9.125 278 HD2 PHE 34 2HD PHE 34 6.125 3.254 6.409 279 HE1 PHE 34 1HE PHE 34 10.225 2.404 8.990 280 HE2 PHE 34 2HE PHE 34 8.011 4.828 6.270 281 HZ PHE 34 HZ PHE 34 10.065 4.404 7.561 282 H ARG 35 H ARG 35 3.262 2.638 7.763 283 HA ARG 35 HA ARG 35 1.370 0.425 7.486 284 1HB ARG 35 2HB ARG 35 1.006 2.807 9.131 285 2HB ARG 35 1HB ARG 35 -0.279 2.607 7.949 286 1HG ARG 35 2HG ARG 35 0.427 0.159 9.393 287 2HG ARG 35 1HG ARG 35 -0.222 1.451 10.405 288 1HD ARG 35 2HD ARG 35 -1.576 0.695 7.844 289 2HD ARG 35 1HD ARG 35 -1.849 -0.244 9.310 290 HE ARG 35 HE ARG 35 -2.264 2.362 10.046 291 1HH1 ARG 35 1HH1 ARG 35 -3.611 0.205 7.656 292 2HH1 ARG 35 2HH1 ARG 35 -5.170 0.960 7.672 293 1HH2 ARG 35 1HH2 ARG 35 -4.314 3.356 10.067 294 2HH2 ARG 35 2HH2 ARG 35 -5.568 2.748 9.040 295 H LEU 36 H LEU 36 0.476 0.320 5.518 296 HA LEU 36 HA LEU 36 1.347 1.985 3.430 297 1HB LEU 36 2HB LEU 36 -0.509 -0.267 3.745 298 2HB LEU 36 1HB LEU 36 -0.923 0.822 2.436 299 HG LEU 36 HG LEU 36 1.785 -0.469 2.745 300 1HD1 LEU 36 1HD1 LEU 36 -0.685 -1.353 1.303 301 2HD1 LEU 36 2HD1 LEU 36 0.408 -2.289 2.323 302 3HD1 LEU 36 3HD1 LEU 36 0.916 -1.791 0.709 303 1HD2 LEU 36 1HD2 LEU 36 0.481 1.208 0.625 304 2HD2 LEU 36 2HD2 LEU 36 1.853 0.156 0.273 305 3HD2 LEU 36 3HD2 LEU 36 2.022 1.465 1.443 306 H LEU 37 H LEU 37 0.646 3.887 2.703 307 HA LEU 37 HA LEU 37 -1.632 5.132 3.987 308 1HB LEU 37 2HB LEU 37 0.786 6.009 2.741 309 2HB LEU 37 1HB LEU 37 -0.568 6.795 1.952 310 HG LEU 37 HG LEU 37 -0.107 6.825 4.933 311 1HD1 LEU 37 1HD1 LEU 37 0.597 9.169 4.570 312 2HD1 LEU 37 2HD1 LEU 37 0.580 8.871 2.832 313 3HD1 LEU 37 3HD1 LEU 37 1.704 7.990 3.866 314 1HD2 LEU 37 1HD2 LEU 37 -1.722 8.904 3.648 315 2HD2 LEU 37 2HD2 LEU 37 -2.012 7.991 5.128 316 3HD2 LEU 37 3HD2 LEU 37 -2.417 7.286 3.564 317 H LEU 38 H LEU 38 -3.530 5.712 3.034 318 HA LEU 38 HA LEU 38 -5.278 5.653 1.586 319 1HB LEU 38 2HB LEU 38 -2.925 6.148 -0.148 320 2HB LEU 38 1HB LEU 38 -4.412 5.674 -0.949 321 HG LEU 38 HG LEU 38 -4.098 8.051 0.885 322 1HD1 LEU 38 1HD1 LEU 38 -4.644 9.233 -1.344 323 2HD1 LEU 38 2HD1 LEU 38 -4.084 7.735 -2.090 324 3HD1 LEU 38 3HD1 LEU 38 -2.997 8.667 -1.060 325 1HD2 LEU 38 1HD2 LEU 38 -6.313 7.646 1.136 326 2HD2 LEU 38 2HD2 LEU 38 -6.429 6.727 -0.366 327 3HD2 LEU 38 3HD2 LEU 38 -6.390 8.490 -0.411 328 H VAL 39 H VAL 39 -3.997 3.119 2.454 329 HA VAL 39 HA VAL 39 -5.227 1.407 0.409 330 HB VAL 39 HB VAL 39 -2.672 0.584 1.766 331 1HG1 VAL 39 1HG1 VAL 39 -4.018 -1.222 0.899 332 2HG1 VAL 39 2HG1 VAL 39 -2.583 -1.023 -0.106 333 3HG1 VAL 39 3HG1 VAL 39 -4.142 -0.420 -0.666 334 1HG2 VAL 39 1HG2 VAL 39 -1.884 1.048 -0.773 335 2HG2 VAL 39 2HG2 VAL 39 -1.681 2.203 0.544 336 3HG2 VAL 39 3HG2 VAL 39 -3.048 2.355 -0.560 337 H ASP 40 H ASP 40 -5.927 -0.660 1.197 338 HA ASP 40 HA ASP 40 -6.069 -0.902 4.118 339 1HB ASP 40 2HB ASP 40 -8.196 0.045 2.747 340 2HB ASP 40 1HB ASP 40 -8.504 -1.686 2.625 341 H THR 41 H THR 41 -5.002 -2.726 4.513 342 HA THR 41 HA THR 41 -5.518 -5.047 2.777 343 HB THR 41 HB THR 41 -3.182 -5.194 4.554 344 HG1 THR 41 1HG THR 41 -1.963 -3.775 3.203 345 1HG2 THR 41 1HG2 THR 41 -2.275 -5.503 2.012 346 2HG2 THR 41 2HG2 THR 41 -3.947 -6.045 1.870 347 3HG2 THR 41 3HG2 THR 41 -2.871 -6.803 3.044 348 H ALA 42 H ALA 42 -7.341 -5.747 3.897 349 HA ALA 42 HA ALA 42 -8.374 -7.177 5.349 350 1HB ALA 42 1HB ALA 42 -7.171 -8.596 6.689 351 2HB ALA 42 2HB ALA 42 -6.005 -7.356 7.149 352 3HB ALA 42 3HB ALA 42 -5.921 -8.096 5.550 353 H GLU 43 H GLU 43 -6.117 -5.460 7.514 354 HA GLU 43 HA GLU 43 -6.506 -4.253 9.414 355 1HB GLU 43 2HB GLU 43 -7.076 -2.668 7.526 356 2HB GLU 43 1HB GLU 43 -8.767 -3.053 7.815 357 1HG GLU 43 2HG GLU 43 -7.951 -2.392 10.313 358 2HG GLU 43 1HG GLU 43 -6.934 -1.341 9.327 359 H THR 44 H THR 44 -7.949 -6.799 9.184 360 HA THR 44 HA THR 44 -10.589 -6.629 10.084 361 HB THR 44 HB THR 44 -10.070 -8.948 11.074 362 HG1 THR 44 1HG THR 44 -7.809 -8.610 11.262 363 1HG2 THR 44 1HG2 THR 44 -10.329 -8.118 8.358 364 2HG2 THR 44 2HG2 THR 44 -10.874 -9.607 9.129 365 3HG2 THR 44 3HG2 THR 44 -9.248 -9.508 8.453 366 H LYS 45 H LYS 45 -10.760 -5.021 11.660 367 HA LYS 45 HA LYS 45 -9.450 -5.588 14.231 368 1HB LYS 45 2HB LYS 45 -9.970 -3.250 14.815 369 2HB LYS 45 1HB LYS 45 -8.981 -3.366 13.367 370 1HG LYS 45 2HG LYS 45 -10.443 -2.012 12.395 371 2HG LYS 45 1HG LYS 45 -11.573 -3.368 12.399 372 1HD LYS 45 2HD LYS 45 -12.797 -1.700 13.440 373 2HD LYS 45 1HD LYS 45 -12.116 -2.577 14.812 374 1HE LYS 45 2HE LYS 45 -10.406 -0.428 13.802 375 2HE LYS 45 1HE LYS 45 -11.961 0.126 14.421 376 1HZ LYS 45 1HZ LYS 45 -10.549 -1.806 16.069 377 2HZ LYS 45 2HZ LYS 45 -11.425 -0.431 16.521 378 3HZ LYS 45 3HZ LYS 45 -9.838 -0.274 15.958 379 H HIS 46 H HIS 46 -11.933 -6.826 13.060 380 HA HIS 46 HA HIS 46 -13.777 -6.134 15.251 381 1HB HIS 46 2HB HIS 46 -14.253 -6.636 12.368 382 2HB HIS 46 1HB HIS 46 -15.433 -7.311 13.485 383 HD1 HIS 46 1HD HIS 46 -16.514 -5.479 15.187 384 HD2 HIS 46 2HD HIS 46 -14.637 -4.011 11.784 385 HE1 HIS 46 1HE HIS 46 -17.360 -3.127 14.917 386 HE2 HIS 46 2HE HIS 46 -16.142 -2.229 12.901 387 H THR 47 H THR 47 -11.992 -8.617 13.663 388 HA THR 47 HA THR 47 -11.603 -10.791 14.202 389 HB THR 47 HB THR 47 -13.384 -10.503 16.608 390 HG1 THR 47 1HG THR 47 -12.090 -8.748 16.801 391 1HG2 THR 47 1HG2 THR 47 -10.933 -12.122 16.002 392 2HG2 THR 47 2HG2 THR 47 -12.545 -12.693 16.432 393 3HG2 THR 47 3HG2 THR 47 -11.547 -11.881 17.638 394 H LYS 48 H LYS 48 -13.023 -11.003 12.257 395 HA LYS 48 HA LYS 48 -15.666 -12.114 12.848 396 1HB LYS 48 2HB LYS 48 -15.019 -10.379 10.944 397 2HB LYS 48 1HB LYS 48 -14.639 -11.850 10.060 398 1HG LYS 48 2HG LYS 48 -16.920 -12.662 10.452 399 2HG LYS 48 1HG LYS 48 -17.295 -11.161 11.303 400 1HD LYS 48 2HD LYS 48 -16.261 -10.241 8.944 401 2HD LYS 48 1HD LYS 48 -17.105 -11.704 8.431 402 1HE LYS 48 2HE LYS 48 -18.396 -9.637 10.189 403 2HE LYS 48 1HE LYS 48 -18.434 -9.529 8.429 404 1HZ LYS 48 1HZ LYS 48 -19.314 -11.990 9.794 405 2HZ LYS 48 2HZ LYS 48 -19.735 -11.416 8.259 406 3HZ LYS 48 3HZ LYS 48 -20.368 -10.674 9.641 407 H LYS 49 H LYS 49 -12.727 -12.942 11.021 408 HA LYS 49 HA LYS 49 -12.622 -15.600 11.880 409 1HB LYS 49 2HB LYS 49 -13.259 -16.701 9.685 410 2HB LYS 49 1HB LYS 49 -14.589 -16.096 10.661 411 1HG LYS 49 2HG LYS 49 -15.310 -15.058 8.840 412 2HG LYS 49 1HG LYS 49 -13.940 -13.962 9.022 413 1HD LYS 49 2HD LYS 49 -13.811 -14.748 6.809 414 2HD LYS 49 1HD LYS 49 -12.599 -15.673 7.697 415 1HE LYS 49 2HE LYS 49 -15.237 -16.922 7.691 416 2HE LYS 49 1HE LYS 49 -14.557 -16.721 6.077 417 1HZ LYS 49 1HZ LYS 49 -12.730 -17.756 8.075 418 2HZ LYS 49 2HZ LYS 49 -12.963 -18.233 6.469 419 3HZ LYS 49 3HZ LYS 49 -14.013 -18.785 7.674 420 H GLY 50 H GLY 50 -11.980 -13.348 9.243 421 1HA GLY 50 2HA GLY 50 -9.584 -12.816 8.921 422 2HA GLY 50 1HA GLY 50 -9.287 -14.545 9.003 423 H VAL 51 H VAL 51 -12.118 -13.547 7.314 424 HA VAL 51 HA VAL 51 -10.794 -13.420 4.737 425 HB VAL 51 HB VAL 51 -12.869 -15.558 5.205 426 1HG1 VAL 51 1HG1 VAL 51 -11.492 -16.239 2.967 427 2HG1 VAL 51 2HG1 VAL 51 -11.459 -14.479 2.867 428 3HG1 VAL 51 3HG1 VAL 51 -13.001 -15.327 2.973 429 1HG2 VAL 51 1HG2 VAL 51 -10.945 -16.239 6.440 430 2HG2 VAL 51 2HG2 VAL 51 -9.866 -15.781 5.122 431 3HG2 VAL 51 3HG2 VAL 51 -10.958 -17.153 4.932 432 H GLU 52 H GLU 52 -12.455 -11.662 6.381 433 HA GLU 52 HA GLU 52 -15.085 -11.559 5.297 434 1HB GLU 52 2HB GLU 52 -15.089 -9.240 6.299 435 2HB GLU 52 1HB GLU 52 -14.752 -10.550 7.421 436 1HG GLU 52 2HG GLU 52 -12.463 -10.018 7.517 437 2HG GLU 52 1HG GLU 52 -12.571 -8.960 6.111 438 H LYS 53 H LYS 53 -11.998 -10.312 4.306 439 HA LYS 53 HA LYS 53 -13.061 -9.540 1.754 440 1HB LYS 53 2HB LYS 53 -12.224 -7.188 1.888 441 2HB LYS 53 1HB LYS 53 -13.620 -7.512 2.907 442 1HG LYS 53 2HG LYS 53 -12.423 -6.458 4.475 443 2HG LYS 53 1HG LYS 53 -11.603 -8.012 4.640 444 1HD LYS 53 2HD LYS 53 -9.696 -7.247 3.711 445 2HD LYS 53 1HD LYS 53 -10.551 -6.267 2.520 446 1HE LYS 53 2HE LYS 53 -10.730 -5.378 5.333 447 2HE LYS 53 1HE LYS 53 -9.150 -5.230 4.563 448 1HZ LYS 53 1HZ LYS 53 -11.678 -3.891 3.887 449 2HZ LYS 53 2HZ LYS 53 -10.531 -4.148 2.671 450 3HZ LYS 53 3HZ LYS 53 -10.125 -3.237 4.037 451 H TYR 54 H TYR 54 -11.241 -11.472 2.383 452 HA TYR 54 HA TYR 54 -9.207 -12.286 1.782 453 1HB TYR 54 2HB TYR 54 -9.483 -9.869 0.057 454 2HB TYR 54 1HB TYR 54 -7.907 -10.649 0.140 455 HD1 TYR 54 1HD TYR 54 -7.636 -12.976 -0.644 456 HD2 TYR 54 2HD TYR 54 -11.314 -10.887 -1.101 457 HE1 TYR 54 1HE TYR 54 -8.367 -14.638 -2.302 458 HE2 TYR 54 2HE TYR 54 -12.056 -12.543 -2.760 459 HH TYR 54 HH TYR 54 -10.391 -15.496 -3.281 460 H GLY 55 H GLY 55 -9.043 -11.508 4.220 461 1HA GLY 55 2HA GLY 55 -6.985 -9.464 4.552 462 2HA GLY 55 1HA GLY 55 -7.874 -10.262 5.840 463 H ALA 56 H ALA 56 -7.439 -12.913 5.282 464 HA ALA 56 HA ALA 56 -4.910 -13.356 6.405 465 1HB ALA 56 1HB ALA 56 -5.479 -15.565 6.461 466 2HB ALA 56 2HB ALA 56 -6.205 -15.535 4.853 467 3HB ALA 56 3HB ALA 56 -7.079 -14.861 6.229 468 H GLU 57 H GLU 57 -6.012 -13.342 3.070 469 HA GLU 57 HA GLU 57 -3.528 -14.369 2.034 470 1HB GLU 57 2HB GLU 57 -5.826 -14.663 0.975 471 2HB GLU 57 1HB GLU 57 -5.700 -12.984 0.469 472 1HG GLU 57 2HG GLU 57 -4.301 -13.466 -1.200 473 2HG GLU 57 1HG GLU 57 -3.367 -14.595 -0.220 474 H ALA 58 H ALA 58 -4.912 -11.257 2.709 475 HA ALA 58 HA ALA 58 -3.368 -9.637 1.031 476 1HB ALA 58 1HB ALA 58 -4.469 -7.974 2.029 477 2HB ALA 58 2HB ALA 58 -3.880 -8.433 3.626 478 3HB ALA 58 3HB ALA 58 -5.305 -9.222 2.951 479 H SER 59 H SER 59 -2.753 -10.752 4.345 480 HA SER 59 HA SER 59 -0.270 -9.417 4.626 481 1HB SER 59 2HB SER 59 -1.649 -10.257 6.533 482 2HB SER 59 1HB SER 59 -1.208 -11.902 6.077 483 HG SER 59 HG SER 59 0.189 -11.166 7.678 484 H ALA 60 H ALA 60 -1.199 -12.589 3.442 485 HA ALA 60 HA ALA 60 1.349 -13.765 3.347 486 1HB ALA 60 1HB ALA 60 0.288 -15.522 2.437 487 2HB ALA 60 2HB ALA 60 -0.492 -14.540 1.198 488 3HB ALA 60 3HB ALA 60 -1.176 -14.619 2.822 489 H PHE 61 H PHE 61 -0.326 -11.627 1.123 490 HA PHE 61 HA PHE 61 1.499 -11.957 -1.040 491 1HB PHE 61 2HB PHE 61 -0.784 -11.157 -1.406 492 2HB PHE 61 1HB PHE 61 -0.451 -9.720 -0.446 493 HD1 PHE 61 1HD PHE 61 1.447 -8.186 -1.286 494 HD2 PHE 61 2HD PHE 61 -0.468 -11.124 -3.696 495 HE1 PHE 61 1HE PHE 61 2.197 -7.008 -3.311 496 HE2 PHE 61 2HE PHE 61 0.280 -9.951 -5.727 497 HZ PHE 61 HZ PHE 61 1.614 -7.889 -5.534 498 H THR 62 H THR 62 1.100 -9.467 1.465 499 HA THR 62 HA THR 62 3.360 -7.951 0.589 500 HB THR 62 HB THR 62 1.882 -7.865 3.226 501 HG1 THR 62 1HG THR 62 0.459 -7.358 1.623 502 1HG2 THR 62 1HG2 THR 62 3.811 -5.949 1.961 503 2HG2 THR 62 2HG2 THR 62 3.885 -6.685 3.561 504 3HG2 THR 62 3HG2 THR 62 2.659 -5.468 3.205 505 H LYS 63 H LYS 63 2.756 -10.194 3.260 506 HA LYS 63 HA LYS 63 5.227 -10.013 4.534 507 1HB LYS 63 2HB LYS 63 3.366 -11.119 5.584 508 2HB LYS 63 1HB LYS 63 3.294 -12.319 4.304 509 1HG LYS 63 2HG LYS 63 5.879 -12.525 5.294 510 2HG LYS 63 1HG LYS 63 4.870 -12.287 6.722 511 1HD LYS 63 2HD LYS 63 3.395 -14.082 5.295 512 2HD LYS 63 1HD LYS 63 5.042 -14.571 4.890 513 1HE LYS 63 2HE LYS 63 5.395 -14.331 7.489 514 2HE LYS 63 1HE LYS 63 3.649 -14.570 7.524 515 1HZ LYS 63 1HZ LYS 63 5.765 -16.443 6.830 516 2HZ LYS 63 2HZ LYS 63 4.352 -16.541 5.906 517 3HZ LYS 63 3HZ LYS 63 4.277 -16.721 7.585 518 H LYS 64 H LYS 64 4.227 -11.963 1.775 519 HA LYS 64 HA LYS 64 6.668 -13.463 1.635 520 1HB LYS 64 2HB LYS 64 4.370 -13.067 -0.276 521 2HB LYS 64 1HB LYS 64 5.769 -14.047 -0.678 522 1HG LYS 64 2HG LYS 64 3.502 -14.989 0.427 523 2HG LYS 64 1HG LYS 64 5.076 -15.768 0.568 524 1HD LYS 64 2HD LYS 64 5.440 -14.606 2.703 525 2HD LYS 64 1HD LYS 64 3.847 -13.861 2.560 526 1HE LYS 64 2HE LYS 64 4.532 -16.757 2.975 527 2HE LYS 64 1HE LYS 64 3.551 -15.706 3.993 528 1HZ LYS 64 1HZ LYS 64 1.895 -16.785 2.933 529 2HZ LYS 64 2HZ LYS 64 2.827 -17.143 1.568 530 3HZ LYS 64 3HZ LYS 64 2.155 -15.601 1.751 531 H MET 65 H MET 65 5.213 -11.065 -0.514 532 HA MET 65 HA MET 65 7.334 -10.654 -2.224 533 1HB MET 65 2HB MET 65 4.998 -9.726 -2.423 534 2HB MET 65 1HB MET 65 5.477 -8.465 -1.295 535 1HG MET 65 2HG MET 65 6.909 -7.469 -2.808 536 2HG MET 65 1HG MET 65 7.070 -8.934 -3.775 537 1HE MET 65 1HE MET 65 5.779 -9.799 -5.268 538 2HE MET 65 2HE MET 65 5.389 -8.608 -6.510 539 3HE MET 65 3HE MET 65 4.094 -9.436 -5.644 540 H VAL 66 H VAL 66 6.946 -9.446 1.035 541 HA VAL 66 HA VAL 66 9.136 -7.565 0.740 542 HB VAL 66 HB VAL 66 8.784 -6.999 3.070 543 1HG1 VAL 66 1HG1 VAL 66 6.455 -7.099 1.220 544 2HG1 VAL 66 2HG1 VAL 66 7.369 -5.711 1.812 545 3HG1 VAL 66 3HG1 VAL 66 6.210 -6.519 2.868 546 1HG2 VAL 66 1HG2 VAL 66 8.280 -8.946 4.215 547 2HG2 VAL 66 2HG2 VAL 66 7.049 -9.431 3.053 548 3HG2 VAL 66 3HG2 VAL 66 6.723 -8.118 4.183 549 H GLU 67 H GLU 67 8.509 -10.591 2.495 550 HA GLU 67 HA GLU 67 11.063 -10.762 3.693 551 1HB GLU 67 2HB GLU 67 8.926 -12.803 3.110 552 2HB GLU 67 1HB GLU 67 10.444 -13.244 3.879 553 1HG GLU 67 2HG GLU 67 8.744 -11.050 4.992 554 2HG GLU 67 1HG GLU 67 8.395 -12.740 5.349 555 H ASN 68 H ASN 68 9.934 -11.439 0.510 556 HA ASN 68 HA ASN 68 12.282 -13.054 -0.132 557 1HB ASN 68 2HB ASN 68 9.887 -13.570 -0.937 558 2HB ASN 68 1HB ASN 68 10.129 -12.250 -2.077 559 1HD2 ASN 68 1HD2 ASN 68 10.215 -15.465 -1.818 560 2HD2 ASN 68 2HD2 ASN 68 11.399 -15.847 -3.016 561 H ALA 69 H ALA 69 10.879 -9.902 -0.767 562 HA ALA 69 HA ALA 69 12.482 -9.074 -2.890 563 1HB ALA 69 1HB ALA 69 12.026 -6.754 -2.025 564 2HB ALA 69 2HB ALA 69 11.203 -7.510 -0.661 565 3HB ALA 69 3HB ALA 69 10.602 -7.756 -2.300 566 H LYS 70 H LYS 70 13.006 -8.637 0.599 567 HA LYS 70 HA LYS 70 14.970 -8.660 1.792 568 1HB LYS 70 2HB LYS 70 16.521 -8.387 -0.780 569 2HB LYS 70 1HB LYS 70 17.116 -8.908 0.788 570 1HG LYS 70 2HG LYS 70 14.941 -10.543 -0.315 571 2HG LYS 70 1HG LYS 70 16.452 -10.577 -1.226 572 1HD LYS 70 2HD LYS 70 17.366 -10.827 1.319 573 2HD LYS 70 1HD LYS 70 15.816 -11.663 1.431 574 1HE LYS 70 2HE LYS 70 16.413 -13.193 -0.274 575 2HE LYS 70 1HE LYS 70 17.818 -12.234 -0.740 576 1HZ LYS 70 1HZ LYS 70 18.783 -13.871 0.507 577 2HZ LYS 70 2HZ LYS 70 17.470 -14.021 1.562 578 3HZ LYS 70 3HZ LYS 70 18.524 -12.706 1.708 579 H LYS 71 H LYS 71 14.416 -6.381 -0.802 580 HA LYS 71 HA LYS 71 15.584 -4.272 0.892 581 1HB LYS 71 2HB LYS 71 16.899 -4.591 -1.150 582 2HB LYS 71 1HB LYS 71 15.453 -4.380 -2.128 583 1HG LYS 71 2HG LYS 71 15.390 -2.082 -0.755 584 2HG LYS 71 1HG LYS 71 17.130 -2.376 -0.761 585 1HD LYS 71 2HD LYS 71 17.307 -2.108 -3.015 586 2HD LYS 71 1HD LYS 71 15.687 -2.737 -3.324 587 1HE LYS 71 2HE LYS 71 15.158 -0.438 -1.942 588 2HE LYS 71 1HE LYS 71 16.589 0.010 -2.868 589 1HZ LYS 71 1HZ LYS 71 14.018 -1.021 -3.929 590 2HZ LYS 71 2HZ LYS 71 15.412 -0.838 -4.869 591 3HZ LYS 71 3HZ LYS 71 14.683 0.518 -4.166 592 H ILE 72 H ILE 72 14.106 -2.945 1.695 593 HA ILE 72 HA ILE 72 11.649 -2.472 0.138 594 HB ILE 72 HB ILE 72 11.846 -2.516 3.151 595 1HG1 ILE 72 2HG1 ILE 72 10.353 -4.589 2.817 596 2HG1 ILE 72 1HG1 ILE 72 10.944 -4.589 1.158 597 1HG2 ILE 72 1HG2 ILE 72 9.401 -2.436 3.067 598 2HG2 ILE 72 2HG2 ILE 72 9.466 -2.325 1.308 599 3HG2 ILE 72 3HG2 ILE 72 10.122 -1.022 2.299 600 1HD1 ILE 72 1HD1 ILE 72 12.099 -5.980 3.101 601 2HD1 ILE 72 2HD1 ILE 72 12.974 -4.462 3.299 602 3HD1 ILE 72 3HD1 ILE 72 13.003 -5.302 1.749 603 H GLU 73 H GLU 73 10.874 -0.412 0.007 604 HA GLU 73 HA GLU 73 12.408 1.710 1.346 605 1HB GLU 73 2HB GLU 73 11.411 1.902 -1.495 606 2HB GLU 73 1HB GLU 73 12.473 3.020 -0.653 607 1HG GLU 73 2HG GLU 73 13.509 0.297 -0.776 608 2HG GLU 73 1HG GLU 73 13.270 1.041 -2.355 609 H VAL 74 H VAL 74 11.234 3.462 2.059 610 HA VAL 74 HA VAL 74 8.316 3.287 1.683 611 HB VAL 74 HB VAL 74 7.997 4.239 3.869 612 1HG1 VAL 74 1HG1 VAL 74 9.648 1.815 3.547 613 2HG1 VAL 74 2HG1 VAL 74 8.060 2.020 4.286 614 3HG1 VAL 74 3HG1 VAL 74 9.514 2.458 5.183 615 1HG2 VAL 74 1HG2 VAL 74 9.851 4.767 5.366 616 2HG2 VAL 74 2HG2 VAL 74 9.933 5.742 3.899 617 3HG2 VAL 74 3HG2 VAL 74 11.004 4.357 4.099 618 H GLU 75 H GLU 75 7.136 5.205 1.439 619 HA GLU 75 HA GLU 75 8.717 7.632 0.925 620 1HB GLU 75 2HB GLU 75 7.925 6.272 -1.156 621 2HB GLU 75 1HB GLU 75 6.345 6.946 -0.780 622 1HG GLU 75 2HG GLU 75 7.138 9.171 -1.078 623 2HG GLU 75 1HG GLU 75 8.808 8.616 -1.201 624 H PHE 76 H PHE 76 8.057 9.165 2.271 625 HA PHE 76 HA PHE 76 5.339 9.084 3.337 626 1HB PHE 76 2HB PHE 76 7.873 10.463 4.162 627 2HB PHE 76 1HB PHE 76 6.321 11.037 4.762 628 HD1 PHE 76 1HD PHE 76 4.991 9.680 6.275 629 HD2 PHE 76 2HD PHE 76 8.783 8.353 4.870 630 HE1 PHE 76 1HE PHE 76 5.040 7.963 8.038 631 HE2 PHE 76 2HE PHE 76 8.838 6.634 6.629 632 HZ PHE 76 HZ PHE 76 6.964 6.438 8.216 633 H ASP 77 H ASP 77 3.792 10.509 2.825 634 HA ASP 77 HA ASP 77 4.437 12.548 0.829 635 1HB ASP 77 2HB ASP 77 1.989 11.027 1.569 636 2HB ASP 77 1HB ASP 77 1.767 12.649 0.921 637 H LYS 78 H LYS 78 2.795 14.513 1.038 638 HA LYS 78 HA LYS 78 3.582 15.907 3.396 639 1HB LYS 78 2HB LYS 78 1.912 16.560 1.002 640 2HB LYS 78 1HB LYS 78 1.862 17.624 2.401 641 1HG LYS 78 2HG LYS 78 3.535 18.637 1.270 642 2HG LYS 78 1HG LYS 78 4.502 17.442 2.138 643 1HD LYS 78 2HD LYS 78 4.339 15.943 0.177 644 2HD LYS 78 1HD LYS 78 3.465 17.211 -0.687 645 1HE LYS 78 2HE LYS 78 5.647 18.579 0.138 646 2HE LYS 78 1HE LYS 78 6.334 16.967 -0.061 647 1HZ LYS 78 1HZ LYS 78 6.530 18.202 -2.100 648 2HZ LYS 78 2HZ LYS 78 4.870 18.521 -2.125 649 3HZ LYS 78 3HZ LYS 78 5.429 16.938 -2.327 650 H GLY 79 H GLY 79 1.024 13.792 2.758 651 1HA GLY 79 2HA GLY 79 -1.073 14.942 4.236 652 2HA GLY 79 1HA GLY 79 -0.871 13.227 3.917 653 H GLN 80 H GLN 80 -0.931 12.096 5.731 654 HA GLN 80 HA GLN 80 0.167 13.293 8.180 655 1HB GLN 80 2HB GLN 80 -2.194 12.647 8.294 656 2HB GLN 80 1HB GLN 80 -1.774 11.000 7.843 657 1HG GLN 80 2HG GLN 80 -0.835 10.532 9.893 658 2HG GLN 80 1HG GLN 80 -0.538 12.231 10.260 659 1HE2 GLN 80 1HE2 GLN 80 -1.803 13.044 11.754 660 2HE2 GLN 80 2HE2 GLN 80 -3.413 12.536 12.122 661 H ARG 81 H ARG 81 1.670 12.230 9.418 662 HA ARG 81 HA ARG 81 3.123 10.091 8.058 663 1HB ARG 81 2HB ARG 81 4.059 12.321 9.226 664 2HB ARG 81 1HB ARG 81 4.127 11.235 10.608 665 1HG ARG 81 2HG ARG 81 5.452 9.654 9.211 666 2HG ARG 81 1HG ARG 81 5.498 10.891 7.952 667 1HD ARG 81 2HD ARG 81 6.293 11.826 10.616 668 2HD ARG 81 1HD ARG 81 7.354 10.598 9.926 669 HE ARG 81 HE ARG 81 6.724 12.742 8.115 670 1HH1 ARG 81 1HH1 ARG 81 8.871 11.670 10.649 671 2HH1 ARG 81 2HH1 ARG 81 10.166 12.711 10.163 672 1HH2 ARG 81 1HH2 ARG 81 8.426 14.113 7.476 673 2HH2 ARG 81 2HH2 ARG 81 9.913 14.099 8.363 674 H THR 82 H THR 82 1.163 10.673 10.862 675 HA THR 82 HA THR 82 1.263 7.822 11.497 676 HB THR 82 HB THR 82 1.659 8.136 13.812 677 HG1 THR 82 1HG THR 82 1.244 10.877 13.277 678 1HG2 THR 82 1HG2 THR 82 3.622 8.727 12.089 679 2HG2 THR 82 2HG2 THR 82 3.829 8.713 13.840 680 3HG2 THR 82 3HG2 THR 82 3.549 10.237 12.997 681 H ASP 83 H ASP 83 -0.778 7.193 11.270 682 HA ASP 83 HA ASP 83 -2.993 8.974 11.509 683 1HB ASP 83 2HB ASP 83 -2.707 6.785 10.084 684 2HB ASP 83 1HB ASP 83 -3.327 5.998 11.531 685 H LYS 84 H LYS 84 -2.122 9.514 13.812 686 HA LYS 84 HA LYS 84 -2.346 9.424 16.083 687 1HB LYS 84 2HB LYS 84 -4.980 8.934 14.876 688 2HB LYS 84 1HB LYS 84 -4.855 8.438 16.557 689 1HG LYS 84 2HG LYS 84 -5.454 10.568 16.940 690 2HG LYS 84 1HG LYS 84 -3.731 10.871 16.715 691 1HD LYS 84 2HD LYS 84 -4.274 11.197 14.249 692 2HD LYS 84 1HD LYS 84 -5.967 11.253 14.743 693 1HE LYS 84 2HE LYS 84 -5.402 13.104 16.292 694 2HE LYS 84 1HE LYS 84 -3.756 13.088 15.659 695 1HZ LYS 84 1HZ LYS 84 -5.294 14.774 14.657 696 2HZ LYS 84 2HZ LYS 84 -6.133 13.493 13.936 697 3HZ LYS 84 3HZ LYS 84 -4.510 13.767 13.547 698 H TYR 85 H TYR 85 -1.246 7.004 14.815 699 HA TYR 85 HA TYR 85 -1.810 5.145 17.017 700 1HB TYR 85 2HB TYR 85 -1.487 4.339 14.119 701 2HB TYR 85 1HB TYR 85 -1.704 3.241 15.478 702 HD1 TYR 85 2HD TYR 85 -3.836 4.702 16.976 703 HD2 TYR 85 1HD TYR 85 -3.390 3.920 12.818 704 HE1 TYR 85 2HE TYR 85 -6.276 4.832 16.697 705 HE2 TYR 85 1HE TYR 85 -5.829 4.049 12.527 706 HH TYR 85 HH TYR 85 -7.798 5.370 14.052 707 H GLY 86 H GLY 86 0.389 7.107 16.232 708 1HA GLY 86 2HA GLY 86 2.683 7.206 16.269 709 2HA GLY 86 1HA GLY 86 2.562 5.804 17.320 710 H ARG 87 H ARG 87 1.391 5.637 14.053 711 HA ARG 87 HA ARG 87 3.535 3.737 13.438 712 1HB ARG 87 2HB ARG 87 0.714 4.065 12.570 713 2HB ARG 87 1HB ARG 87 1.841 3.426 11.380 714 1HG ARG 87 2HG ARG 87 1.935 1.435 12.376 715 2HG ARG 87 1HG ARG 87 2.092 2.147 13.982 716 1HD ARG 87 2HD ARG 87 -0.509 2.714 13.345 717 2HD ARG 87 1HD ARG 87 -0.275 1.138 12.589 718 HE ARG 87 HE ARG 87 -0.451 1.696 15.387 719 1HH1 ARG 87 1HH1 ARG 87 0.935 -0.470 13.028 720 2HH1 ARG 87 2HH1 ARG 87 1.067 -1.793 14.138 721 1HH2 ARG 87 1HH2 ARG 87 -0.279 -0.043 16.847 722 2HH2 ARG 87 2HH2 ARG 87 0.377 -1.552 16.305 723 H GLY 88 H GLY 88 4.012 3.672 10.952 724 1HA GLY 88 2HA GLY 88 4.726 6.428 10.197 725 2HA GLY 88 1HA GLY 88 5.607 4.988 9.710 726 H LEU 89 H LEU 89 2.632 6.819 9.235 727 HA LEU 89 HA LEU 89 1.521 5.285 7.177 728 1HB LEU 89 2HB LEU 89 1.248 8.077 8.134 729 2HB LEU 89 1HB LEU 89 0.691 7.754 6.503 730 HG LEU 89 HG LEU 89 -0.258 6.273 8.956 731 1HD1 LEU 89 1HD1 LEU 89 -1.239 8.303 9.299 732 2HD1 LEU 89 2HD1 LEU 89 -2.417 7.588 8.199 733 3HD1 LEU 89 3HD1 LEU 89 -1.219 8.728 7.588 734 1HD2 LEU 89 1HD2 LEU 89 -1.836 6.282 6.477 735 2HD2 LEU 89 2HD2 LEU 89 -1.504 4.973 7.611 736 3HD2 LEU 89 3HD2 LEU 89 -0.308 5.405 6.391 737 H ALA 90 H ALA 90 2.195 4.886 5.176 738 HA ALA 90 HA ALA 90 3.132 6.738 3.339 739 1HB ALA 90 1HB ALA 90 5.575 5.976 3.255 740 2HB ALA 90 2HB ALA 90 5.321 5.409 4.905 741 3HB ALA 90 3HB ALA 90 5.117 7.118 4.519 742 H TYR 91 H TYR 91 4.170 5.688 1.403 743 HA TYR 91 HA TYR 91 2.798 3.204 0.871 744 1HB TYR 91 2HB TYR 91 4.580 4.878 -0.911 745 2HB TYR 91 1HB TYR 91 3.595 3.517 -1.437 746 HD1 TYR 91 1HD TYR 91 1.062 3.704 -1.146 747 HD2 TYR 91 2HD TYR 91 3.684 7.040 -0.839 748 HE1 TYR 91 1HE TYR 91 -0.834 5.223 -1.532 749 HE2 TYR 91 2HE TYR 91 1.796 8.568 -1.223 750 HH TYR 91 HH TYR 91 -1.280 7.461 -2.273 751 H ILE 92 H ILE 92 3.714 1.230 0.437 752 HA ILE 92 HA ILE 92 6.494 0.914 1.313 753 HB ILE 92 HB ILE 92 4.457 -1.266 0.869 754 1HG1 ILE 92 2HG1 ILE 92 3.712 0.387 2.586 755 2HG1 ILE 92 1HG1 ILE 92 4.002 -1.221 3.241 756 1HG2 ILE 92 1HG2 ILE 92 6.159 -2.196 2.734 757 2HG2 ILE 92 2HG2 ILE 92 7.245 -1.155 1.814 758 3HG2 ILE 92 3HG2 ILE 92 6.369 -2.452 1.002 759 1HD1 ILE 92 1HD1 ILE 92 5.021 1.192 4.172 760 2HD1 ILE 92 2HD1 ILE 92 6.382 0.384 3.396 761 3HD1 ILE 92 3HD1 ILE 92 5.487 -0.432 4.677 762 H TYR 93 H TYR 93 8.069 0.210 -0.010 763 HA TYR 93 HA TYR 93 7.306 -0.737 -2.690 764 1HB TYR 93 2HB TYR 93 9.574 1.159 -2.043 765 2HB TYR 93 1HB TYR 93 9.206 0.506 -3.636 766 HD1 TYR 93 1HD TYR 93 8.078 2.817 -1.002 767 HD2 TYR 93 2HD TYR 93 7.410 1.398 -4.957 768 HE1 TYR 93 1HE TYR 93 6.564 4.710 -1.419 769 HE2 TYR 93 2HE TYR 93 5.895 3.287 -5.385 770 HH TYR 93 HH TYR 93 5.647 5.717 -4.368 771 H ALA 94 H ALA 94 8.132 -2.658 -3.168 772 HA ALA 94 HA ALA 94 10.426 -3.626 -1.601 773 1HB ALA 94 1HB ALA 94 8.095 -5.022 -2.857 774 2HB ALA 94 2HB ALA 94 8.685 -5.105 -1.197 775 3HB ALA 94 3HB ALA 94 9.580 -5.901 -2.492 776 H ASP 95 H ASP 95 12.307 -3.880 -2.588 777 HA ASP 95 HA ASP 95 13.881 -3.726 -4.250 778 1HB ASP 95 2HB ASP 95 13.198 -6.141 -4.146 779 2HB ASP 95 1HB ASP 95 12.135 -5.839 -5.517 780 H GLY 96 H GLY 96 12.078 -1.675 -4.617 781 1HA GLY 96 2HA GLY 96 11.724 -0.072 -6.246 782 2HA GLY 96 1HA GLY 96 12.418 -1.172 -7.426 783 H LYS 97 H LYS 97 9.831 -2.378 -5.494 784 HA LYS 97 HA LYS 97 7.973 -1.976 -7.744 785 1HB LYS 97 2HB LYS 97 8.684 -4.298 -7.673 786 2HB LYS 97 1HB LYS 97 8.282 -4.400 -5.965 787 1HG LYS 97 2HG LYS 97 6.327 -5.221 -6.622 788 2HG LYS 97 1HG LYS 97 5.923 -3.573 -7.105 789 1HD LYS 97 2HD LYS 97 7.278 -4.349 -9.283 790 2HD LYS 97 1HD LYS 97 6.658 -5.915 -8.757 791 1HE LYS 97 2HE LYS 97 4.921 -3.480 -9.089 792 2HE LYS 97 1HE LYS 97 5.205 -4.643 -10.382 793 1HZ LYS 97 1HZ LYS 97 3.154 -5.095 -9.161 794 2HZ LYS 97 2HZ LYS 97 4.036 -5.295 -7.731 795 3HZ LYS 97 3HZ LYS 97 4.255 -6.372 -9.017 796 H MET 98 H MET 98 5.905 -1.373 -7.271 797 HA MET 98 HA MET 98 5.443 -0.278 -4.653 798 1HB MET 98 2HB MET 98 3.519 -0.448 -6.976 799 2HB MET 98 1HB MET 98 3.398 0.616 -5.581 800 1HG MET 98 2HG MET 98 5.650 1.563 -6.361 801 2HG MET 98 1HG MET 98 5.300 0.752 -7.887 802 1HE MET 98 1HE MET 98 3.549 2.562 -5.142 803 2HE MET 98 2HE MET 98 2.423 3.670 -5.923 804 3HE MET 98 3HE MET 98 4.113 4.131 -5.718 805 H VAL 99 H VAL 99 4.685 -1.409 -3.002 806 HA VAL 99 HA VAL 99 3.533 -4.002 -3.320 807 HB VAL 99 HB VAL 99 3.547 -2.312 -0.819 808 1HG1 VAL 99 1HG1 VAL 99 2.172 -4.111 -0.366 809 2HG1 VAL 99 2HG1 VAL 99 3.744 -4.717 0.152 810 3HG1 VAL 99 3HG1 VAL 99 3.081 -5.204 -1.408 811 1HG2 VAL 99 1HG2 VAL 99 5.619 -3.944 -0.437 812 2HG2 VAL 99 2HG2 VAL 99 5.790 -2.354 -1.177 813 3HG2 VAL 99 3HG2 VAL 99 5.714 -3.794 -2.192 814 H ASN 100 H ASN 100 2.268 -0.806 -2.478 815 HA ASN 100 HA ASN 100 -0.353 -1.573 -1.856 816 1HB ASN 100 2HB ASN 100 -0.917 0.823 -2.507 817 2HB ASN 100 1HB ASN 100 0.315 0.624 -1.264 818 1HD2 ASN 100 1HD2 ASN 100 -0.446 2.385 -3.852 819 2HD2 ASN 100 2HD2 ASN 100 1.127 2.805 -4.426 820 H GLU 101 H GLU 101 1.020 -0.438 -4.938 821 HA GLU 101 HA GLU 101 -1.361 -0.676 -6.425 822 1HB GLU 101 2HB GLU 101 1.537 -0.698 -7.269 823 2HB GLU 101 1HB GLU 101 0.201 -0.704 -8.411 824 1HG GLU 101 2HG GLU 101 0.469 1.418 -6.314 825 2HG GLU 101 1HG GLU 101 1.297 1.530 -7.867 826 H ALA 102 H ALA 102 1.344 -2.908 -5.917 827 HA ALA 102 HA ALA 102 0.541 -4.922 -7.676 828 1HB ALA 102 1HB ALA 102 2.734 -4.664 -6.350 829 2HB ALA 102 2HB ALA 102 2.117 -6.289 -6.645 830 3HB ALA 102 3HB ALA 102 1.888 -5.532 -5.069 831 H LEU 103 H LEU 103 -0.243 -4.435 -4.249 832 HA LEU 103 HA LEU 103 -1.797 -6.788 -3.979 833 1HB LEU 103 2HB LEU 103 -1.649 -4.232 -2.400 834 2HB LEU 103 1HB LEU 103 -2.745 -5.529 -1.965 835 HG LEU 103 HG LEU 103 0.119 -6.236 -2.315 836 1HD1 LEU 103 1HD1 LEU 103 0.735 -5.480 -0.128 837 2HD1 LEU 103 2HD1 LEU 103 -0.892 -4.865 0.169 838 3HD1 LEU 103 3HD1 LEU 103 0.133 -4.098 -1.045 839 1HD2 LEU 103 1HD2 LEU 103 -2.024 -7.036 -0.349 840 2HD2 LEU 103 2HD2 LEU 103 -0.402 -7.723 -0.437 841 3HD2 LEU 103 3HD2 LEU 103 -1.527 -7.943 -1.778 842 H VAL 104 H VAL 104 -2.680 -3.396 -4.556 843 HA VAL 104 HA VAL 104 -5.470 -3.832 -4.641 844 HB VAL 104 HB VAL 104 -3.947 -1.625 -6.023 845 1HG1 VAL 104 1HG1 VAL 104 -5.912 -0.590 -6.385 846 2HG1 VAL 104 2HG1 VAL 104 -6.595 -1.127 -4.850 847 3HG1 VAL 104 3HG1 VAL 104 -6.581 -2.215 -6.238 848 1HG2 VAL 104 1HG2 VAL 104 -5.169 -1.070 -3.415 849 2HG2 VAL 104 2HG2 VAL 104 -3.612 -0.565 -4.070 850 3HG2 VAL 104 3HG2 VAL 104 -3.792 -2.170 -3.361 851 H ARG 105 H ARG 105 -2.981 -3.771 -7.155 852 HA ARG 105 HA ARG 105 -4.762 -4.004 -9.345 853 1HB ARG 105 2HB ARG 105 -2.275 -3.305 -9.329 854 2HB ARG 105 1HB ARG 105 -1.936 -5.030 -9.369 855 1HG ARG 105 2HG ARG 105 -3.828 -3.946 -11.379 856 2HG ARG 105 1HG ARG 105 -2.113 -3.579 -11.569 857 1HD ARG 105 2HD ARG 105 -1.537 -5.854 -11.734 858 2HD ARG 105 1HD ARG 105 -3.098 -6.378 -11.108 859 HE ARG 105 HE ARG 105 -3.920 -6.286 -13.232 860 1HH1 ARG 105 1HH1 ARG 105 -1.030 -4.335 -13.087 861 2HH1 ARG 105 2HH1 ARG 105 -1.009 -4.017 -14.789 862 1HH2 ARG 105 1HH2 ARG 105 -3.894 -5.868 -15.471 863 2HH2 ARG 105 2HH2 ARG 105 -2.636 -4.887 -16.143 864 H GLN 106 H GLN 106 -3.224 -6.327 -7.227 865 HA GLN 106 HA GLN 106 -4.085 -8.584 -8.838 866 1HB GLN 106 2HB GLN 106 -2.369 -8.195 -6.450 867 2HB GLN 106 1HB GLN 106 -3.201 -9.738 -6.576 868 1HG GLN 106 2HG GLN 106 -0.923 -9.764 -7.519 869 2HG GLN 106 1HG GLN 106 -2.171 -10.194 -8.687 870 1HE2 GLN 106 1HE2 GLN 106 -2.307 -9.077 -10.528 871 2HE2 GLN 106 2HE2 GLN 106 -1.385 -7.667 -10.904 872 H GLY 107 H GLY 107 -5.119 -6.808 -6.030 873 1HA GLY 107 2HA GLY 107 -7.420 -6.853 -5.365 874 2HA GLY 107 1HA GLY 107 -7.504 -8.523 -5.905 875 H LEU 108 H LEU 108 -5.469 -6.660 -3.643 876 HA LEU 108 HA LEU 108 -6.112 -8.659 -1.582 877 1HB LEU 108 2HB LEU 108 -3.444 -7.639 -2.462 878 2HB LEU 108 1HB LEU 108 -3.677 -8.073 -0.779 879 HG LEU 108 HG LEU 108 -2.700 -9.934 -1.964 880 1HD1 LEU 108 1HD1 LEU 108 -5.458 -10.945 -1.731 881 2HD1 LEU 108 2HD1 LEU 108 -4.818 -10.109 -0.315 882 3HD1 LEU 108 3HD1 LEU 108 -3.970 -11.509 -0.971 883 1HD2 LEU 108 1HD2 LEU 108 -5.062 -10.407 -3.669 884 2HD2 LEU 108 2HD2 LEU 108 -3.352 -10.704 -3.984 885 3HD2 LEU 108 3HD2 LEU 108 -4.009 -9.076 -4.148 886 H ALA 109 H ALA 109 -4.952 -5.382 -2.264 887 HA ALA 109 HA ALA 109 -5.913 -4.556 0.394 888 1HB ALA 109 1HB ALA 109 -4.223 -2.656 -1.058 889 2HB ALA 109 2HB ALA 109 -3.428 -4.179 -0.661 890 3HB ALA 109 3HB ALA 109 -4.143 -3.199 0.618 891 H LYS 110 H LYS 110 -6.937 -2.444 0.536 892 HA LYS 110 HA LYS 110 -8.509 -1.869 -1.879 893 1HB LYS 110 2HB LYS 110 -9.188 -0.942 0.904 894 2HB LYS 110 1HB LYS 110 -10.252 -1.092 -0.487 895 1HG LYS 110 2HG LYS 110 -9.026 -3.351 1.081 896 2HG LYS 110 1HG LYS 110 -10.715 -2.839 1.109 897 1HD LYS 110 2HD LYS 110 -9.978 -3.296 -1.598 898 2HD LYS 110 1HD LYS 110 -9.444 -4.683 -0.645 899 1HE LYS 110 2HE LYS 110 -12.208 -3.552 -0.357 900 2HE LYS 110 1HE LYS 110 -11.821 -4.719 -1.620 901 1HZ LYS 110 1HZ LYS 110 -12.416 -6.156 -0.004 902 2HZ LYS 110 2HZ LYS 110 -12.029 -5.099 1.259 903 3HZ LYS 110 3HZ LYS 110 -10.804 -5.965 0.475 904 H VAL 111 H VAL 111 -9.467 0.628 -1.264 905 HA VAL 111 HA VAL 111 -7.025 2.281 -1.223 906 HB VAL 111 HB VAL 111 -9.543 2.905 -2.766 907 1HG1 VAL 111 1HG1 VAL 111 -7.896 4.473 -3.936 908 2HG1 VAL 111 2HG1 VAL 111 -6.846 4.201 -2.544 909 3HG1 VAL 111 3HG1 VAL 111 -8.441 4.920 -2.319 910 1HG2 VAL 111 1HG2 VAL 111 -6.938 1.748 -3.755 911 2HG2 VAL 111 2HG2 VAL 111 -8.261 2.308 -4.778 912 3HG2 VAL 111 3HG2 VAL 111 -8.497 0.926 -3.708 913 H ALA 112 H ALA 112 -7.007 3.171 0.756 914 HA ALA 112 HA ALA 112 -9.357 3.868 2.205 915 1HB ALA 112 1HB ALA 112 -6.441 4.092 2.625 916 2HB ALA 112 2HB ALA 112 -7.700 3.484 3.698 917 3HB ALA 112 3HB ALA 112 -7.456 5.221 3.520 918 H TYR 113 H TYR 113 -9.230 6.252 3.245 919 HA TYR 113 HA TYR 113 -8.969 8.180 1.041 920 1HB TYR 113 2HB TYR 113 -11.066 9.253 1.730 921 2HB TYR 113 1HB TYR 113 -11.337 7.581 1.252 922 HD1 TYR 113 2HD TYR 113 -11.185 5.857 3.291 923 HD2 TYR 113 1HD TYR 113 -12.103 9.996 3.648 924 HE1 TYR 113 2HE TYR 113 -12.293 5.420 5.442 925 HE2 TYR 113 1HE TYR 113 -13.213 9.570 5.801 926 HH TYR 113 HH TYR 113 -12.876 6.676 7.503 927 H VAL 114 H VAL 114 -7.277 9.358 1.720 928 HA VAL 114 HA VAL 114 -7.159 10.205 4.524 929 HB VAL 114 HB VAL 114 -5.058 10.546 2.385 930 1HG1 VAL 114 1HG1 VAL 114 -5.228 11.213 5.268 931 2HG1 VAL 114 2HG1 VAL 114 -4.398 12.051 3.957 932 3HG1 VAL 114 3HG1 VAL 114 -3.689 10.598 4.664 933 1HG2 VAL 114 1HG2 VAL 114 -4.211 8.505 2.828 934 2HG2 VAL 114 2HG2 VAL 114 -5.858 8.149 3.348 935 3HG2 VAL 114 3HG2 VAL 114 -4.632 8.586 4.538 936 H TYR 115 H TYR 115 -8.163 12.055 4.952 937 HA TYR 115 HA TYR 115 -8.198 14.169 2.914 938 1HB TYR 115 2HB TYR 115 -10.004 15.168 4.320 939 2HB TYR 115 1HB TYR 115 -10.398 13.569 3.698 940 HD1 TYR 115 2HD TYR 115 -9.478 15.479 6.706 941 HD2 TYR 115 1HD TYR 115 -10.708 11.704 5.177 942 HE1 TYR 115 2HE TYR 115 -9.961 14.717 8.993 943 HE2 TYR 115 1HE TYR 115 -11.195 10.931 7.461 944 HH TYR 115 HH TYR 115 -10.162 11.787 9.952 945 H LYS 116 H LYS 116 -5.862 13.582 4.550 946 HA LYS 116 HA LYS 116 -5.727 15.973 6.251 947 1HB LYS 116 2HB LYS 116 -5.151 13.870 7.362 948 2HB LYS 116 1HB LYS 116 -3.919 13.552 6.148 949 1HG LYS 116 2HG LYS 116 -2.474 14.540 7.507 950 2HG LYS 116 1HG LYS 116 -3.274 16.064 7.122 951 1HD LYS 116 2HD LYS 116 -4.615 14.461 9.185 952 2HD LYS 116 1HD LYS 116 -3.010 15.039 9.630 953 1HE LYS 116 2HE LYS 116 -4.543 16.699 10.338 954 2HE LYS 116 1HE LYS 116 -3.753 17.329 8.892 955 1HZ LYS 116 1HZ LYS 116 -5.660 17.305 7.740 956 2HZ LYS 116 2HZ LYS 116 -6.398 17.300 9.261 957 3HZ LYS 116 3HZ LYS 116 -6.196 15.849 8.415 958 H GLY 117 H GLY 117 -4.335 14.411 3.453 959 1HA GLY 117 2HA GLY 117 -3.480 16.613 2.122 960 2HA GLY 117 1HA GLY 117 -2.149 16.283 3.221 961 H ASN 118 H ASN 118 -2.687 13.352 3.063 962 HA ASN 118 HA ASN 118 -0.948 12.799 0.875 963 1HB ASN 118 2HB ASN 118 -0.928 11.473 2.954 964 2HB ASN 118 1HB ASN 118 -2.545 10.883 2.586 965 1HD2 ASN 118 1HD2 ASN 118 -2.554 8.919 1.798 966 2HD2 ASN 118 2HD2 ASN 118 -1.344 8.213 0.788 967 H ASN 119 H ASN 119 -2.155 13.655 -0.892 968 HA ASN 119 HA ASN 119 -4.090 11.724 -1.950 969 1HB ASN 119 2HB ASN 119 -4.520 14.629 -1.478 970 2HB ASN 119 1HB ASN 119 -5.162 13.954 -2.973 971 1HD2 ASN 119 1HD2 ASN 119 -7.288 14.043 -2.502 972 2HD2 ASN 119 2HD2 ASN 119 -8.037 13.158 -1.221 973 H THR 120 H THR 120 -1.350 11.926 -2.541 974 HA THR 120 HA THR 120 -1.197 13.283 -5.123 975 HB THR 120 HB THR 120 1.068 11.685 -4.013 976 HG1 THR 120 1HG THR 120 0.222 14.195 -3.005 977 1HG2 THR 120 1HG2 THR 120 0.872 14.320 -5.444 978 2HG2 THR 120 2HG2 THR 120 1.504 12.798 -6.072 979 3HG2 THR 120 3HG2 THR 120 2.368 13.651 -4.792 980 H HIS 121 H HIS 121 -0.269 10.065 -3.884 981 HA HIS 121 HA HIS 121 -0.348 8.916 -6.509 982 1HB HIS 121 2HB HIS 121 0.025 7.745 -3.755 983 2HB HIS 121 1HB HIS 121 -0.016 6.751 -5.208 984 HD1 HIS 121 1HD HIS 121 1.635 9.976 -5.725 985 HD2 HIS 121 2HD HIS 121 2.732 6.165 -4.482 986 HE1 HIS 121 1HE HIS 121 4.141 9.904 -5.911 987 HE2 HIS 121 2HE HIS 121 4.775 7.561 -5.236 988 H GLU 122 H GLU 122 -2.763 9.726 -4.362 989 HA GLU 122 HA GLU 122 -4.516 7.628 -4.230 990 1HB GLU 122 2HB GLU 122 -4.863 9.877 -3.223 991 2HB GLU 122 1HB GLU 122 -5.283 10.492 -4.817 992 1HG GLU 122 2HG GLU 122 -6.850 8.166 -4.196 993 2HG GLU 122 1HG GLU 122 -6.988 9.367 -2.913 994 H GLN 123 H GLN 123 -3.670 9.524 -7.024 995 HA GLN 123 HA GLN 123 -5.857 8.866 -8.676 996 1HB GLN 123 2HB GLN 123 -3.038 9.362 -9.629 997 2HB GLN 123 1HB GLN 123 -4.537 9.662 -10.498 998 1HG GLN 123 2HG GLN 123 -4.443 11.104 -7.993 999 2HG GLN 123 1HG GLN 123 -3.070 11.491 -9.028 1000 1HE2 GLN 123 1HE2 GLN 123 -6.508 11.648 -8.643 1001 2HE2 GLN 123 2HE2 GLN 123 -6.816 12.728 -9.956 1002 H LEU 124 H LEU 124 -2.689 7.334 -8.228 1003 HA LEU 124 HA LEU 124 -3.126 5.280 -10.144 1004 1HB LEU 124 2HB LEU 124 -1.254 5.065 -7.804 1005 2HB LEU 124 1HB LEU 124 -1.100 4.339 -9.392 1006 HG LEU 124 HG LEU 124 -0.760 7.258 -8.706 1007 1HD1 LEU 124 1HD1 LEU 124 1.524 6.553 -9.872 1008 2HD1 LEU 124 2HD1 LEU 124 1.076 4.987 -9.197 1009 3HD1 LEU 124 3HD1 LEU 124 1.255 6.385 -8.137 1010 1HD2 LEU 124 1HD2 LEU 124 -1.553 7.528 -10.808 1011 2HD2 LEU 124 2HD2 LEU 124 -1.187 5.868 -11.278 1012 3HD2 LEU 124 3HD2 LEU 124 0.097 7.076 -11.235 1013 H LEU 125 H LEU 125 -3.718 5.587 -6.697 1014 HA LEU 125 HA LEU 125 -4.199 2.897 -6.089 1015 1HB LEU 125 2HB LEU 125 -5.139 5.484 -4.901 1016 2HB LEU 125 1HB LEU 125 -5.757 3.958 -4.298 1017 HG LEU 125 HG LEU 125 -3.974 4.608 -2.868 1018 1HD1 LEU 125 1HD1 LEU 125 -2.572 2.649 -4.626 1019 2HD1 LEU 125 2HD1 LEU 125 -4.091 2.197 -3.852 1020 3HD1 LEU 125 3HD1 LEU 125 -2.710 2.687 -2.868 1021 1HD2 LEU 125 1HD2 LEU 125 -2.871 6.236 -4.246 1022 2HD2 LEU 125 2HD2 LEU 125 -2.354 4.989 -5.381 1023 3HD2 LEU 125 3HD2 LEU 125 -1.690 5.025 -3.748 1024 H ARG 126 H ARG 126 -6.316 5.398 -7.392 1025 HA ARG 126 HA ARG 126 -8.684 3.802 -7.275 1026 1HB ARG 126 2HB ARG 126 -7.950 6.405 -8.572 1027 2HB ARG 126 1HB ARG 126 -9.470 5.618 -8.975 1028 1HG ARG 126 2HG ARG 126 -9.207 5.659 -6.144 1029 2HG ARG 126 1HG ARG 126 -8.874 7.277 -6.765 1030 1HD ARG 126 2HD ARG 126 -10.996 7.035 -8.130 1031 2HD ARG 126 1HD ARG 126 -11.343 5.603 -7.162 1032 HE ARG 126 HE ARG 126 -11.899 6.962 -5.401 1033 1HH1 ARG 126 1HH1 ARG 126 -10.222 8.849 -7.812 1034 2HH1 ARG 126 2HH1 ARG 126 -10.553 10.362 -7.038 1035 1HH2 ARG 126 1HH2 ARG 126 -12.335 8.951 -4.383 1036 2HH2 ARG 126 2HH2 ARG 126 -11.752 10.420 -5.091 1037 H LYS 127 H LYS 127 -6.255 4.497 -9.730 1038 HA LYS 127 HA LYS 127 -7.562 3.366 -11.935 1039 1HB LYS 127 2HB LYS 127 -4.890 4.292 -11.287 1040 2HB LYS 127 1HB LYS 127 -4.839 2.869 -12.319 1041 1HG LYS 127 2HG LYS 127 -4.841 4.681 -13.792 1042 2HG LYS 127 1HG LYS 127 -6.503 4.088 -13.809 1043 1HD LYS 127 2HD LYS 127 -6.742 5.871 -11.849 1044 2HD LYS 127 1HD LYS 127 -5.391 6.611 -12.710 1045 1HE LYS 127 2HE LYS 127 -6.642 6.891 -14.667 1046 2HE LYS 127 1HE LYS 127 -7.867 5.730 -14.157 1047 1HZ LYS 127 1HZ LYS 127 -7.410 8.433 -13.015 1048 2HZ LYS 127 2HZ LYS 127 -8.516 7.310 -12.402 1049 3HZ LYS 127 3HZ LYS 127 -8.729 7.942 -13.955 1050 H SER 128 H SER 128 -5.202 1.915 -9.697 1051 HA SER 128 HA SER 128 -5.315 -0.669 -10.848 1052 1HB SER 128 2HB SER 128 -4.332 -1.345 -8.559 1053 2HB SER 128 1HB SER 128 -3.397 -0.231 -9.555 1054 HG SER 128 HG SER 128 -3.654 1.267 -8.100 1055 H GLU 129 H GLU 129 -7.069 0.882 -8.214 1056 HA GLU 129 HA GLU 129 -8.381 -1.436 -7.267 1057 1HB GLU 129 2HB GLU 129 -8.204 0.643 -5.960 1058 2HB GLU 129 1HB GLU 129 -9.261 1.452 -7.108 1059 1HG GLU 129 2HG GLU 129 -10.674 -0.809 -6.326 1060 2HG GLU 129 1HG GLU 129 -9.920 -0.211 -4.848 1061 H ALA 130 H ALA 130 -9.285 1.029 -9.642 1062 HA ALA 130 HA ALA 130 -11.901 0.190 -10.137 1063 1HB ALA 130 1HB ALA 130 -10.527 2.264 -10.987 1064 2HB ALA 130 2HB ALA 130 -11.893 1.640 -11.911 1065 3HB ALA 130 3HB ALA 130 -10.244 1.227 -12.385 1066 H GLN 131 H GLN 131 -8.866 -0.781 -11.709 1067 HA GLN 131 HA GLN 131 -9.992 -2.508 -13.608 1068 1HB GLN 131 2HB GLN 131 -7.276 -2.449 -12.298 1069 2HB GLN 131 1HB GLN 131 -7.691 -3.602 -13.560 1070 1HG GLN 131 2HG GLN 131 -8.039 -0.661 -13.985 1071 2HG GLN 131 1HG GLN 131 -6.473 -1.438 -14.209 1072 1HE2 GLN 131 1HE2 GLN 131 -9.197 -0.470 -15.748 1073 2HE2 GLN 131 2HE2 GLN 131 -9.141 -1.509 -17.128 1074 H ALA 132 H ALA 132 -9.007 -3.032 -10.266 1075 HA ALA 132 HA ALA 132 -9.458 -5.865 -10.343 1076 1HB ALA 132 1HB ALA 132 -7.831 -4.933 -8.805 1077 2HB ALA 132 2HB ALA 132 -9.108 -5.761 -7.913 1078 3HB ALA 132 3HB ALA 132 -9.093 -4.000 -8.002 1079 H LYS 133 H LYS 133 -11.315 -3.031 -9.436 1080 HA LYS 133 HA LYS 133 -13.401 -4.366 -8.079 1081 1HB LYS 133 2HB LYS 133 -12.755 -1.779 -8.386 1082 2HB LYS 133 1HB LYS 133 -14.034 -1.892 -9.588 1083 1HG LYS 133 2HG LYS 133 -14.289 -2.614 -6.676 1084 2HG LYS 133 1HG LYS 133 -14.887 -1.138 -7.436 1085 1HD LYS 133 2HD LYS 133 -16.806 -2.266 -7.691 1086 2HD LYS 133 1HD LYS 133 -15.979 -3.090 -9.015 1087 1HE LYS 133 2HE LYS 133 -15.572 -4.982 -7.756 1088 2HE LYS 133 1HE LYS 133 -15.679 -4.113 -6.226 1089 1HZ LYS 133 1HZ LYS 133 -18.048 -4.440 -7.956 1090 2HZ LYS 133 2HZ LYS 133 -17.985 -4.114 -6.298 1091 3HZ LYS 133 3HZ LYS 133 -17.589 -5.655 -6.871 1092 H LYS 134 H LYS 134 -13.174 -3.195 -11.437 1093 HA LYS 134 HA LYS 134 -15.684 -4.283 -12.213 1094 1HB LYS 134 2HB LYS 134 -13.321 -3.182 -13.699 1095 2HB LYS 134 1HB LYS 134 -14.623 -3.977 -14.574 1096 1HG LYS 134 2HG LYS 134 -14.844 -1.516 -14.476 1097 2HG LYS 134 1HG LYS 134 -16.219 -2.376 -13.779 1098 1HD LYS 134 2HD LYS 134 -15.633 -1.809 -11.606 1099 2HD LYS 134 1HD LYS 134 -13.952 -1.491 -12.038 1100 1HE LYS 134 2HE LYS 134 -14.676 0.501 -13.291 1101 2HE LYS 134 1HE LYS 134 -16.339 0.193 -12.795 1102 1HZ LYS 134 1HZ LYS 134 -15.691 0.495 -10.500 1103 2HZ LYS 134 2HZ LYS 134 -15.258 1.860 -11.402 1104 3HZ LYS 134 3HZ LYS 134 -14.076 0.737 -10.948 1105 H GLU 135 H GLU 135 -12.420 -5.492 -12.122 1106 HA GLU 135 HA GLU 135 -13.005 -7.823 -13.719 1107 1HB GLU 135 2HB GLU 135 -10.605 -6.953 -12.119 1108 2HB GLU 135 1HB GLU 135 -10.691 -8.530 -12.893 1109 1HG GLU 135 2HG GLU 135 -11.319 -6.244 -14.628 1110 2HG GLU 135 1HG GLU 135 -9.659 -6.318 -14.040 1111 H LYS 136 H LYS 136 -13.081 -6.960 -10.358 1112 HA LYS 136 HA LYS 136 -13.652 -8.105 -8.476 1113 1HB LYS 136 2HB LYS 136 -14.910 -10.045 -10.424 1114 2HB LYS 136 1HB LYS 136 -15.285 -9.902 -8.713 1115 1HG LYS 136 2HG LYS 136 -15.577 -7.388 -10.151 1116 2HG LYS 136 1HG LYS 136 -16.618 -8.670 -10.773 1117 1HD LYS 136 2HD LYS 136 -16.693 -8.749 -7.925 1118 2HD LYS 136 1HD LYS 136 -16.961 -7.084 -8.443 1119 1HE LYS 136 2HE LYS 136 -18.420 -9.259 -9.855 1120 2HE LYS 136 1HE LYS 136 -18.951 -8.812 -8.234 1121 1HZ LYS 136 1HZ LYS 136 -18.731 -6.414 -9.347 1122 2HZ LYS 136 2HZ LYS 136 -20.159 -7.319 -9.382 1123 3HZ LYS 136 3HZ LYS 136 -19.126 -7.320 -10.721 1124 H LEU 137 H LEU 137 -11.090 -8.512 -9.117 1125 HA LEU 137 HA LEU 137 -10.223 -11.119 -9.582 1126 1HB LEU 137 2HB LEU 137 -9.037 -8.712 -8.294 1127 2HB LEU 137 1HB LEU 137 -8.217 -10.248 -8.080 1128 HG LEU 137 HG LEU 137 -8.945 -9.277 -10.824 1129 1HD1 LEU 137 1HD1 LEU 137 -6.856 -8.238 -9.017 1130 2HD1 LEU 137 2HD1 LEU 137 -7.667 -7.469 -10.381 1131 3HD1 LEU 137 3HD1 LEU 137 -6.353 -8.610 -10.666 1132 1HD2 LEU 137 1HD2 LEU 137 -6.830 -10.610 -11.310 1133 2HD2 LEU 137 2HD2 LEU 137 -8.262 -11.522 -10.830 1134 3HD2 LEU 137 3HD2 LEU 137 -6.974 -11.222 -9.662 1135 H ASN 138 H ASN 138 -9.814 -9.614 -6.392 1136 HA ASN 138 HA ASN 138 -10.893 -12.058 -5.167 1137 1HB ASN 138 2HB ASN 138 -8.223 -10.791 -4.768 1138 2HB ASN 138 1HB ASN 138 -9.013 -11.516 -3.371 1139 1HD2 ASN 138 1HD2 ASN 138 -6.631 -12.482 -4.289 1140 2HD2 ASN 138 2HD2 ASN 138 -6.864 -14.047 -4.984 1141 H ILE 139 H ILE 139 -9.421 -9.129 -3.792 1142 HA ILE 139 HA ILE 139 -11.152 -8.800 -1.685 1143 HB ILE 139 HB ILE 139 -10.573 -6.352 -1.778 1144 1HG1 ILE 139 2HG1 ILE 139 -8.988 -7.245 -4.197 1145 2HG1 ILE 139 1HG1 ILE 139 -10.361 -6.143 -4.211 1146 1HG2 ILE 139 1HG2 ILE 139 -8.225 -6.705 -1.232 1147 2HG2 ILE 139 2HG2 ILE 139 -8.280 -8.296 -1.988 1148 3HG2 ILE 139 3HG2 ILE 139 -9.233 -7.975 -0.540 1149 1HD1 ILE 139 1HD1 ILE 139 -7.675 -5.662 -2.946 1150 2HD1 ILE 139 2HD1 ILE 139 -9.057 -4.574 -2.820 1151 3HD1 ILE 139 3HD1 ILE 139 -8.325 -4.892 -4.393 1152 H TRP 140 H TRP 140 -11.530 -7.628 -4.996 1153 HA TRP 140 HA TRP 140 -14.137 -6.486 -4.313 1154 1HB TRP 140 2HB TRP 140 -12.554 -6.331 -6.888 1155 2HB TRP 140 1HB TRP 140 -14.071 -5.497 -6.568 1156 HD1 TRP 140 HD TRP 140 -10.727 -4.545 -6.906 1157 HE1 TRP 140 1HE TRP 140 -10.048 -2.586 -5.380 1158 HE3 TRP 140 3HE TRP 140 -14.591 -4.739 -3.560 1159 HZ2 TRP 140 2HZ TRP 140 -11.020 -1.294 -3.067 1160 HZ3 TRP 140 3HZ TRP 140 -14.641 -3.105 -1.721 1161 HH2 TRP 140 HH TRP 140 -12.891 -1.419 -1.481 1162 H SER 141 H SER 141 -13.669 -9.380 -4.397 1163 HA SER 141 HA SER 141 -15.457 -10.099 -6.625 1164 1HB SER 141 2HB SER 141 -13.089 -11.118 -6.507 1165 2HB SER 141 1HB SER 141 -13.712 -12.066 -5.157 1166 HG SER 141 HG SER 141 -13.913 -13.139 -7.188 1167 H GLU 142 H GLU 142 -16.274 -9.056 -4.036 1168 HA GLU 142 HA GLU 142 -18.121 -11.183 -3.331 1169 1HB GLU 142 2HB GLU 142 -17.655 -10.787 -0.866 1170 2HB GLU 142 1HB GLU 142 -16.448 -11.709 -1.750 1171 1HG GLU 142 2HG GLU 142 -14.961 -10.326 -0.853 1172 2HG GLU 142 1HG GLU 142 -15.548 -9.133 -2.011 1173 H ASP 143 H ASP 143 -18.261 -8.549 -4.600 1174 HA ASP 143 HA ASP 143 -20.280 -7.381 -2.830 1175 1HB ASP 143 2HB ASP 143 -17.843 -6.044 -3.885 1176 2HB ASP 143 1HB ASP 143 -19.336 -5.110 -3.886 1177 H ASN 144 H ASN 144 -21.376 -5.473 -4.190 1178 HA ASN 144 HA ASN 144 -22.020 -6.634 -6.821 1179 1HB ASN 144 2HB ASN 144 -23.772 -5.133 -4.871 1180 2HB ASN 144 1HB ASN 144 -24.252 -5.499 -6.526 1181 1HD2 ASN 144 1HD2 ASN 144 -25.418 -6.352 -3.989 1182 2HD2 ASN 144 2HD2 ASN 144 -25.414 -8.079 -4.021 1183 H ALA 145 H ALA 145 -22.857 -5.033 -8.423 1184 HA ALA 145 HA ALA 145 -21.029 -2.802 -8.561 1185 1HB ALA 145 1HB ALA 145 -23.180 -3.604 -10.515 1186 2HB ALA 145 2HB ALA 145 -21.528 -4.220 -10.527 1187 3HB ALA 145 3HB ALA 145 -21.832 -2.507 -10.813 1188 H ASP 146 H ASP 146 -21.755 -0.618 -9.114 1189 HA ASP 146 HA ASP 146 -24.270 0.055 -7.737 1190 1HB ASP 146 2HB ASP 146 -23.245 2.252 -7.256 1191 2HB ASP 146 1HB ASP 146 -22.317 0.924 -6.566 1192 H SER 147 H SER 147 -24.131 -0.685 -10.499 1193 HA SER 147 HA SER 147 -25.310 1.716 -11.643 1194 1HB SER 147 2HB SER 147 -22.921 1.804 -12.310 1195 2HB SER 147 1HB SER 147 -23.097 0.223 -13.072 1196 HG SER 147 HG SER 147 -23.688 2.631 -14.068 1197 H GLY 148 H GLY 148 -25.752 0.908 -14.193 1198 1HA GLY 148 2HA GLY 148 -26.660 -0.855 -15.511 1199 2HA GLY 148 1HA GLY 148 -26.947 -1.768 -14.038 1200 H GLN 149 H GLN 149 -28.185 0.421 -12.610 1201 HA GLN 149 HA GLN 149 -30.768 0.439 -14.016 1202 1HB GLN 149 2HB GLN 149 -31.686 0.923 -11.693 1203 2HB GLN 149 1HB GLN 149 -31.024 -0.684 -11.955 1204 1HG GLN 149 2HG GLN 149 -29.082 -0.202 -10.726 1205 2HG GLN 149 1HG GLN 149 -29.403 1.532 -10.750 1206 1HE2 GLN 149 1HE2 GLN 149 -28.966 1.086 -8.395 1207 2HE2 GLN 149 2HE2 GLN 149 -30.334 0.713 -7.407 Start of MODEL 3 1 1H ALA 1 1HT ALA 1 2.404 19.728 -15.258 2 2H ALA 1 2HT ALA 1 3.472 20.820 -16.039 3 3H ALA 1 3HT ALA 1 2.429 21.379 -14.795 4 HA ALA 1 HA ALA 1 4.562 19.385 -14.444 5 1HB ALA 1 1HB ALA 1 5.023 21.973 -14.993 6 2HB ALA 1 2HB ALA 1 6.036 21.010 -13.918 7 3HB ALA 1 3HB ALA 1 4.796 22.070 -13.247 8 H THR 2 H THR 2 5.175 19.399 -12.051 9 HA THR 2 HA THR 2 2.689 19.315 -10.484 10 HB THR 2 HB THR 2 4.293 17.898 -8.940 11 HG1 THR 2 1HG THR 2 6.136 18.305 -10.274 12 1HG2 THR 2 1HG2 THR 2 3.394 15.969 -9.757 13 2HG2 THR 2 2HG2 THR 2 3.566 16.468 -11.440 14 3HG2 THR 2 3HG2 THR 2 2.285 17.157 -10.441 15 H SER 3 H SER 3 3.404 19.406 -7.968 16 HA SER 3 HA SER 3 5.193 21.695 -7.580 17 1HB SER 3 2HB SER 3 2.569 21.642 -6.126 18 2HB SER 3 1HB SER 3 3.626 23.011 -6.468 19 HG SER 3 HG SER 3 2.591 23.311 -8.265 20 H THR 4 H THR 4 5.583 18.920 -7.029 21 HA THR 4 HA THR 4 5.667 18.974 -4.082 22 HB THR 4 HB THR 4 5.725 16.436 -4.277 23 HG1 THR 4 1HG THR 4 5.296 15.526 -6.161 24 1HG2 THR 4 1HG2 THR 4 3.613 16.569 -3.661 25 2HG2 THR 4 2HG2 THR 4 3.135 16.777 -5.346 26 3HG2 THR 4 3HG2 THR 4 3.498 18.187 -4.351 27 H LYS 5 H LYS 5 7.478 17.754 -3.127 28 HA LYS 5 HA LYS 5 9.946 18.585 -4.159 29 1HB LYS 5 2HB LYS 5 9.088 16.739 -1.977 30 2HB LYS 5 1HB LYS 5 10.773 16.708 -2.479 31 1HG LYS 5 2HG LYS 5 9.304 19.182 -1.596 32 2HG LYS 5 1HG LYS 5 10.332 18.196 -0.556 33 1HD LYS 5 2HD LYS 5 12.060 18.597 -2.533 34 2HD LYS 5 1HD LYS 5 11.066 20.035 -2.771 35 1HE LYS 5 2HE LYS 5 11.411 20.103 -0.090 36 2HE LYS 5 1HE LYS 5 12.924 19.349 -0.591 37 1HZ LYS 5 1HZ LYS 5 13.586 21.205 -1.715 38 2HZ LYS 5 2HZ LYS 5 12.694 21.931 -0.475 39 3HZ LYS 5 3HZ LYS 5 12.010 21.747 -2.011 40 H LYS 6 H LYS 6 8.970 15.187 -3.697 41 HA LYS 6 HA LYS 6 9.586 14.423 -6.362 42 1HB LYS 6 2HB LYS 6 11.854 14.798 -4.961 43 2HB LYS 6 1HB LYS 6 11.513 13.132 -4.516 44 1HG LYS 6 2HG LYS 6 12.859 12.884 -6.367 45 2HG LYS 6 1HG LYS 6 11.242 12.763 -7.063 46 1HD LYS 6 2HD LYS 6 11.381 14.809 -8.088 47 2HD LYS 6 1HD LYS 6 12.516 15.448 -6.898 48 1HE LYS 6 2HE LYS 6 13.226 13.311 -8.898 49 2HE LYS 6 1HE LYS 6 13.469 15.033 -9.188 50 1HZ LYS 6 1HZ LYS 6 15.499 14.189 -8.383 51 2HZ LYS 6 2HZ LYS 6 14.754 13.344 -7.120 52 3HZ LYS 6 3HZ LYS 6 14.815 15.034 -7.085 53 H LEU 7 H LEU 7 9.148 12.211 -6.775 54 HA LEU 7 HA LEU 7 7.618 10.923 -4.619 55 1HB LEU 7 2HB LEU 7 7.423 10.187 -7.520 56 2HB LEU 7 1HB LEU 7 6.253 9.925 -6.241 57 HG LEU 7 HG LEU 7 6.950 12.615 -7.421 58 1HD1 LEU 7 1HD1 LEU 7 4.307 11.281 -7.745 59 2HD1 LEU 7 2HD1 LEU 7 5.641 10.811 -8.798 60 3HD1 LEU 7 3HD1 LEU 7 5.094 12.489 -8.761 61 1HD2 LEU 7 1HD2 LEU 7 4.771 13.202 -6.202 62 2HD2 LEU 7 2HD2 LEU 7 6.237 13.026 -5.236 63 3HD2 LEU 7 3HD2 LEU 7 5.047 11.724 -5.280 64 H HIS 8 H HIS 8 10.294 10.585 -4.394 65 HA HIS 8 HA HIS 8 10.984 8.038 -5.641 66 1HB HIS 8 2HB HIS 8 13.221 8.409 -4.746 67 2HB HIS 8 1HB HIS 8 12.671 9.839 -5.614 68 HD1 HIS 8 1HD HIS 8 13.122 11.950 -4.423 69 HD2 HIS 8 2HD HIS 8 12.682 8.765 -1.791 70 HE1 HIS 8 1HE HIS 8 13.531 12.908 -2.135 71 HE2 HIS 8 2HE HIS 8 13.176 10.982 -0.552 72 H LYS 9 H LYS 9 12.108 6.414 -4.190 73 HA LYS 9 HA LYS 9 10.614 6.173 -1.660 74 1HB LYS 9 2HB LYS 9 11.753 3.802 -3.099 75 2HB LYS 9 1HB LYS 9 10.406 3.874 -1.972 76 1HG LYS 9 2HG LYS 9 9.388 3.491 -4.019 77 2HG LYS 9 1HG LYS 9 9.214 5.232 -3.799 78 1HD LYS 9 2HD LYS 9 10.620 5.720 -5.506 79 2HD LYS 9 1HD LYS 9 11.662 4.333 -5.183 80 1HE LYS 9 2HE LYS 9 9.978 2.853 -6.182 81 2HE LYS 9 1HE LYS 9 8.962 4.252 -6.525 82 1HZ LYS 9 1HZ LYS 9 10.275 4.905 -8.231 83 2HZ LYS 9 2HZ LYS 9 10.628 3.252 -8.296 84 3HZ LYS 9 3HZ LYS 9 11.699 4.314 -7.533 85 H GLU 10 H GLU 10 11.701 5.091 0.104 86 HA GLU 10 HA GLU 10 14.405 4.352 0.073 87 1HB GLU 10 2HB GLU 10 14.351 6.992 -0.270 88 2HB GLU 10 1HB GLU 10 14.196 6.969 1.481 89 1HG GLU 10 2HG GLU 10 16.328 6.375 1.788 90 2HG GLU 10 1HG GLU 10 16.307 5.233 0.445 91 H ALA 11 H ALA 11 14.711 3.115 1.809 92 HA ALA 11 HA ALA 11 13.473 3.814 4.344 93 1HB ALA 11 1HB ALA 11 11.730 2.495 3.345 94 2HB ALA 11 2HB ALA 11 12.495 1.552 4.622 95 3HB ALA 11 3HB ALA 11 12.871 1.221 2.934 96 H ALA 12 H ALA 12 14.505 0.537 3.652 97 HA ALA 12 HA ALA 12 17.202 0.578 4.022 98 1HB ALA 12 1HB ALA 12 17.652 1.290 6.076 99 2HB ALA 12 2HB ALA 12 16.729 -0.063 6.731 100 3HB ALA 12 3HB ALA 12 15.934 1.479 6.419 101 H THR 13 H THR 13 15.001 -1.079 6.276 102 HA THR 13 HA THR 13 15.071 -3.495 4.668 103 HB THR 13 HB THR 13 16.348 -3.355 7.404 104 HG1 THR 13 1HG THR 13 17.903 -2.907 5.995 105 1HG2 THR 13 1HG2 THR 13 15.913 -5.806 5.716 106 2HG2 THR 13 2HG2 THR 13 15.014 -5.412 7.182 107 3HG2 THR 13 3HG2 THR 13 16.750 -5.720 7.267 108 H LEU 14 H LEU 14 13.434 -4.927 5.143 109 HA LEU 14 HA LEU 14 11.385 -3.896 6.962 110 1HB LEU 14 2HB LEU 14 10.611 -4.275 4.728 111 2HB LEU 14 1HB LEU 14 11.295 -5.887 4.701 112 HG LEU 14 HG LEU 14 8.734 -5.580 4.999 113 1HD1 LEU 14 1HD1 LEU 14 9.998 -7.400 7.007 114 2HD1 LEU 14 2HD1 LEU 14 10.231 -7.664 5.278 115 3HD1 LEU 14 3HD1 LEU 14 8.605 -7.682 5.962 116 1HD2 LEU 14 1HD2 LEU 14 9.251 -5.589 7.901 117 2HD2 LEU 14 2HD2 LEU 14 7.888 -4.939 6.992 118 3HD2 LEU 14 3HD2 LEU 14 9.400 -4.036 7.083 119 H ILE 15 H ILE 15 11.215 -4.756 8.925 120 HA ILE 15 HA ILE 15 12.638 -7.091 9.700 121 HB ILE 15 HB ILE 15 10.497 -5.534 11.158 122 1HG1 ILE 15 2HG1 ILE 15 12.841 -5.138 12.494 123 2HG1 ILE 15 1HG1 ILE 15 13.417 -5.270 10.836 124 1HG2 ILE 15 1HG2 ILE 15 10.546 -7.774 12.042 125 2HG2 ILE 15 2HG2 ILE 15 11.331 -6.687 13.187 126 3HG2 ILE 15 3HG2 ILE 15 12.306 -7.731 12.153 127 1HD1 ILE 15 1HD1 ILE 15 11.126 -3.471 11.451 128 2HD1 ILE 15 2HD1 ILE 15 12.327 -3.369 10.165 129 3HD1 ILE 15 3HD1 ILE 15 12.771 -2.957 11.822 130 H LYS 16 H LYS 16 9.123 -6.441 9.610 131 HA LYS 16 HA LYS 16 8.457 -8.848 8.331 132 1HB LYS 16 2HB LYS 16 9.057 -9.156 11.099 133 2HB LYS 16 1HB LYS 16 7.326 -9.389 10.893 134 1HG LYS 16 2HG LYS 16 8.355 -10.853 8.826 135 2HG LYS 16 1HG LYS 16 9.559 -11.086 10.095 136 1HD LYS 16 2HD LYS 16 7.956 -12.823 10.339 137 2HD LYS 16 1HD LYS 16 7.660 -11.668 11.641 138 1HE LYS 16 2HE LYS 16 5.901 -10.630 10.173 139 2HE LYS 16 1HE LYS 16 6.109 -11.998 9.080 140 1HZ LYS 16 1HZ LYS 16 4.267 -12.122 10.820 141 2HZ LYS 16 2HZ LYS 16 5.500 -12.410 11.940 142 3HZ LYS 16 3HZ LYS 16 5.270 -13.474 10.647 143 H ALA 17 H ALA 17 6.229 -9.067 7.960 144 HA ALA 17 HA ALA 17 4.742 -6.612 8.344 145 1HB ALA 17 1HB ALA 17 3.879 -9.133 6.932 146 2HB ALA 17 2HB ALA 17 4.748 -7.801 6.170 147 3HB ALA 17 3HB ALA 17 3.128 -7.540 6.817 148 H ILE 18 H ILE 18 2.763 -6.420 9.390 149 HA ILE 18 HA ILE 18 2.284 -8.462 11.445 150 HB ILE 18 HB ILE 18 1.213 -5.643 11.401 151 1HG1 ILE 18 2HG1 ILE 18 3.659 -5.580 11.433 152 2HG1 ILE 18 1HG1 ILE 18 3.009 -5.099 12.998 153 1HG2 ILE 18 1HG2 ILE 18 0.315 -6.051 13.432 154 2HG2 ILE 18 2HG2 ILE 18 1.624 -7.128 13.916 155 3HG2 ILE 18 3HG2 ILE 18 0.340 -7.719 12.864 156 1HD1 ILE 18 1HD1 ILE 18 4.562 -6.512 13.777 157 2HD1 ILE 18 2HD1 ILE 18 4.661 -7.408 12.261 158 3HD1 ILE 18 3HD1 ILE 18 3.357 -7.742 13.400 159 H ASP 19 H ASP 19 0.418 -6.233 9.363 160 HA ASP 19 HA ASP 19 -1.551 -8.356 8.960 161 1HB ASP 19 2HB ASP 19 -2.044 -5.752 10.319 162 2HB ASP 19 1HB ASP 19 -3.290 -6.356 9.231 163 H GLY 20 H GLY 20 0.123 -7.845 7.013 164 1HA GLY 20 2HA GLY 20 0.169 -7.355 4.768 165 2HA GLY 20 1HA GLY 20 -1.523 -6.904 4.904 166 H ASP 21 H ASP 21 -1.814 -4.724 6.138 167 HA ASP 21 HA ASP 21 -0.278 -2.773 4.661 168 1HB ASP 21 2HB ASP 21 -1.852 -1.140 5.685 169 2HB ASP 21 1HB ASP 21 -2.671 -2.442 4.827 170 H THR 22 H THR 22 -0.597 -3.902 7.957 171 HA THR 22 HA THR 22 1.220 -1.832 8.919 172 HB THR 22 HB THR 22 -0.045 -4.050 10.528 173 HG1 THR 22 1HG THR 22 -1.692 -2.578 10.983 174 1HG2 THR 22 1HG2 THR 22 1.020 -1.351 11.316 175 2HG2 THR 22 2HG2 THR 22 1.713 -2.922 11.719 176 3HG2 THR 22 3HG2 THR 22 0.149 -2.451 12.383 177 H VAL 23 H VAL 23 3.291 -2.252 8.451 178 HA VAL 23 HA VAL 23 4.353 -4.878 9.237 179 HB VAL 23 HB VAL 23 5.840 -4.909 7.309 180 1HG1 VAL 23 1HG1 VAL 23 4.318 -5.826 5.900 181 2HG1 VAL 23 2HG1 VAL 23 3.231 -4.441 5.994 182 3HG1 VAL 23 3HG1 VAL 23 3.266 -5.624 7.302 183 1HG2 VAL 23 1HG2 VAL 23 6.010 -2.463 7.010 184 2HG2 VAL 23 2HG2 VAL 23 4.373 -2.451 6.357 185 3HG2 VAL 23 3HG2 VAL 23 5.655 -3.309 5.504 186 H LYS 24 H LYS 24 6.369 -4.874 10.180 187 HA LYS 24 HA LYS 24 7.301 -2.295 11.120 188 1HB LYS 24 2HB LYS 24 7.100 -4.484 12.497 189 2HB LYS 24 1HB LYS 24 8.620 -4.926 11.730 190 1HG LYS 24 2HG LYS 24 9.816 -3.499 12.980 191 2HG LYS 24 1HG LYS 24 8.574 -2.245 12.923 192 1HD LYS 24 2HD LYS 24 7.266 -3.867 14.495 193 2HD LYS 24 1HD LYS 24 8.864 -4.547 14.808 194 1HE LYS 24 2HE LYS 24 9.572 -2.714 15.936 195 2HE LYS 24 1HE LYS 24 8.639 -1.605 14.932 196 1HZ LYS 24 1HZ LYS 24 7.427 -1.457 16.814 197 2HZ LYS 24 2HZ LYS 24 7.870 -2.990 17.375 198 3HZ LYS 24 3HZ LYS 24 6.672 -2.837 16.191 199 H LEU 25 H LEU 25 8.508 -1.171 9.744 200 HA LEU 25 HA LEU 25 10.619 -2.575 8.242 201 1HB LEU 25 2HB LEU 25 8.630 -1.075 7.206 202 2HB LEU 25 1HB LEU 25 9.838 0.169 7.464 203 HG LEU 25 HG LEU 25 10.640 -2.323 6.033 204 1HD1 LEU 25 1HD1 LEU 25 8.665 -0.360 5.095 205 2HD1 LEU 25 2HD1 LEU 25 8.964 -2.017 4.567 206 3HD1 LEU 25 3HD1 LEU 25 9.982 -0.705 3.974 207 1HD2 LEU 25 1HD2 LEU 25 12.404 -0.821 6.490 208 2HD2 LEU 25 2HD2 LEU 25 11.446 0.573 5.995 209 3HD2 LEU 25 3HD2 LEU 25 11.999 -0.589 4.790 210 H MET 26 H MET 26 12.662 -2.120 8.683 211 HA MET 26 HA MET 26 13.313 -0.265 10.767 212 1HB MET 26 2HB MET 26 14.445 -2.566 9.948 213 2HB MET 26 1HB MET 26 15.471 -1.422 9.094 214 1HG MET 26 2HG MET 26 16.269 -0.477 11.060 215 2HG MET 26 1HG MET 26 14.933 -1.112 12.019 216 1HE MET 26 1HE MET 26 15.233 -3.955 13.176 217 2HE MET 26 2HE MET 26 15.448 -2.278 13.676 218 3HE MET 26 3HE MET 26 16.742 -3.448 13.933 219 H TYR 27 H TYR 27 12.916 1.808 10.119 220 HA TYR 27 HA TYR 27 14.202 2.761 7.664 221 1HB TYR 27 2HB TYR 27 11.829 3.302 7.911 222 2HB TYR 27 1HB TYR 27 12.151 4.081 9.456 223 HD1 TYR 27 2HD TYR 27 13.369 6.230 9.529 224 HD2 TYR 27 1HD TYR 27 12.259 4.424 5.840 225 HE1 TYR 27 2HE TYR 27 13.744 8.369 8.377 226 HE2 TYR 27 1HE TYR 27 12.632 6.558 4.677 227 HH TYR 27 HH TYR 27 12.689 8.961 5.210 228 H LYS 28 H LYS 28 15.680 4.421 7.659 229 HA LYS 28 HA LYS 28 17.562 5.452 8.424 230 1HB LYS 28 2HB LYS 28 17.123 7.345 9.703 231 2HB LYS 28 1HB LYS 28 15.573 6.989 8.961 232 1HG LYS 28 2HG LYS 28 14.627 6.961 10.958 233 2HG LYS 28 1HG LYS 28 15.665 5.620 11.437 234 1HD LYS 28 2HD LYS 28 17.434 7.508 11.811 235 2HD LYS 28 1HD LYS 28 16.010 8.545 11.905 236 1HE LYS 28 2HE LYS 28 15.502 6.244 13.478 237 2HE LYS 28 1HE LYS 28 17.111 6.830 13.898 238 1HZ LYS 28 1HZ LYS 28 14.795 8.658 13.752 239 2HZ LYS 28 2HZ LYS 28 16.271 8.888 14.547 240 3HZ LYS 28 3HZ LYS 28 15.143 7.788 15.160 241 H GLY 29 H GLY 29 17.097 2.773 9.568 242 1HA GLY 29 2HA GLY 29 18.512 1.506 10.923 243 2HA GLY 29 1HA GLY 29 19.074 2.986 11.680 244 H GLN 30 H GLN 30 15.651 2.556 11.507 245 HA GLN 30 HA GLN 30 15.586 1.423 14.205 246 1HB GLN 30 2HB GLN 30 14.134 3.116 15.071 247 2HB GLN 30 1HB GLN 30 15.545 3.913 14.391 248 1HG GLN 30 2HG GLN 30 14.347 4.714 12.549 249 2HG GLN 30 1HG GLN 30 13.009 3.602 12.824 250 1HE2 GLN 30 1HE2 GLN 30 14.682 5.618 15.181 251 2HE2 GLN 30 2HE2 GLN 30 13.310 6.580 15.603 252 H ALA 31 H ALA 31 13.961 0.031 14.554 253 HA ALA 31 HA ALA 31 12.301 -0.718 12.331 254 1HB ALA 31 1HB ALA 31 13.271 -2.437 13.733 255 2HB ALA 31 2HB ALA 31 11.510 -2.510 13.822 256 3HB ALA 31 3HB ALA 31 12.431 -1.794 15.144 257 H MET 32 H MET 32 10.549 0.435 11.861 258 HA MET 32 HA MET 32 8.745 1.174 14.067 259 1HB MET 32 2HB MET 32 8.115 3.190 12.707 260 2HB MET 32 1HB MET 32 9.748 3.223 13.355 261 1HG MET 32 2HG MET 32 10.716 2.854 11.275 262 2HG MET 32 1HG MET 32 9.215 2.243 10.582 263 1HE MET 32 1HE MET 32 10.537 6.194 11.879 264 2HE MET 32 2HE MET 32 11.115 6.060 10.217 265 3HE MET 32 3HE MET 32 11.508 4.804 11.392 266 H THR 33 H THR 33 6.501 1.217 13.546 267 HA THR 33 HA THR 33 5.769 -0.822 11.651 268 HB THR 33 HB THR 33 3.879 0.907 13.241 269 HG1 THR 33 1HG THR 33 5.411 -1.317 14.068 270 1HG2 THR 33 1HG2 THR 33 3.405 -1.970 12.909 271 2HG2 THR 33 2HG2 THR 33 3.270 -0.998 11.443 272 3HG2 THR 33 3HG2 THR 33 2.281 -0.613 12.852 273 H PHE 34 H PHE 34 5.586 -0.375 9.566 274 HA PHE 34 HA PHE 34 4.753 2.294 8.707 275 1HB PHE 34 2HB PHE 34 6.201 0.020 7.431 276 2HB PHE 34 1HB PHE 34 5.285 1.102 6.390 277 HD1 PHE 34 1HD PHE 34 8.090 0.868 8.750 278 HD2 PHE 34 2HD PHE 34 6.029 3.317 5.947 279 HE1 PHE 34 1HE PHE 34 9.969 2.454 8.761 280 HE2 PHE 34 2HE PHE 34 7.904 4.910 5.953 281 HZ PHE 34 HZ PHE 34 9.879 4.479 7.360 282 H ARG 35 H ARG 35 2.836 2.710 7.766 283 HA ARG 35 HA ARG 35 1.041 0.423 7.293 284 1HB ARG 35 2HB ARG 35 0.598 3.102 8.506 285 2HB ARG 35 1HB ARG 35 -0.712 2.415 7.557 286 1HG ARG 35 2HG ARG 35 0.326 0.431 9.343 287 2HG ARG 35 1HG ARG 35 -0.067 1.901 10.238 288 1HD ARG 35 2HD ARG 35 -2.246 1.727 8.683 289 2HD ARG 35 1HD ARG 35 -1.832 0.017 8.796 290 HE ARG 35 HE ARG 35 -1.845 1.336 11.339 291 1HH1 ARG 35 1HH1 ARG 35 -3.847 -0.222 8.943 292 2HH1 ARG 35 2HH1 ARG 35 -5.082 -0.657 10.077 293 1HH2 ARG 35 1HH2 ARG 35 -3.467 0.765 12.832 294 2HH2 ARG 35 2HH2 ARG 35 -4.867 -0.096 12.284 295 H LEU 36 H LEU 36 0.458 0.085 5.237 296 HA LEU 36 HA LEU 36 1.314 1.665 3.103 297 1HB LEU 36 2HB LEU 36 -0.717 -0.505 3.399 298 2HB LEU 36 1HB LEU 36 -0.665 0.404 1.902 299 HG LEU 36 HG LEU 36 1.627 -1.168 3.078 300 1HD1 LEU 36 1HD1 LEU 36 1.111 -2.273 0.672 301 2HD1 LEU 36 2HD1 LEU 36 -0.517 -1.808 1.166 302 3HD1 LEU 36 3HD1 LEU 36 0.445 -2.869 2.194 303 1HD2 LEU 36 1HD2 LEU 36 2.630 -0.713 0.805 304 2HD2 LEU 36 2HD2 LEU 36 2.554 0.662 1.905 305 3HD2 LEU 36 3HD2 LEU 36 1.381 0.514 0.597 306 H LEU 37 H LEU 37 0.771 3.717 2.808 307 HA LEU 37 HA LEU 37 -1.514 4.975 3.793 308 1HB LEU 37 2HB LEU 37 0.737 5.661 2.090 309 2HB LEU 37 1HB LEU 37 -0.725 6.501 1.616 310 HG LEU 37 HG LEU 37 0.628 6.591 4.307 311 1HD1 LEU 37 1HD1 LEU 37 1.743 8.243 3.319 312 2HD1 LEU 37 2HD1 LEU 37 0.230 9.149 3.383 313 3HD1 LEU 37 3HD1 LEU 37 0.661 8.256 1.926 314 1HD2 LEU 37 1HD2 LEU 37 -1.214 8.368 4.696 315 2HD2 LEU 37 2HD2 LEU 37 -1.608 6.662 4.913 316 3HD2 LEU 37 3HD2 LEU 37 -2.086 7.497 3.435 317 H LEU 38 H LEU 38 -3.439 5.585 2.927 318 HA LEU 38 HA LEU 38 -5.366 5.264 1.755 319 1HB LEU 38 2HB LEU 38 -3.310 5.791 -0.364 320 2HB LEU 38 1HB LEU 38 -4.996 5.553 -0.781 321 HG LEU 38 HG LEU 38 -4.159 7.632 1.221 322 1HD1 LEU 38 1HD1 LEU 38 -3.183 7.697 -1.285 323 2HD1 LEU 38 2HD1 LEU 38 -3.600 9.138 -0.357 324 3HD1 LEU 38 3HD1 LEU 38 -4.739 8.488 -1.536 325 1HD2 LEU 38 1HD2 LEU 38 -6.536 6.918 1.083 326 2HD2 LEU 38 2HD2 LEU 38 -6.557 7.461 -0.595 327 3HD2 LEU 38 3HD2 LEU 38 -6.279 8.621 0.704 328 H VAL 39 H VAL 39 -3.843 2.801 2.388 329 HA VAL 39 HA VAL 39 -5.174 1.077 0.421 330 HB VAL 39 HB VAL 39 -2.397 0.514 1.452 331 1HG1 VAL 39 1HG1 VAL 39 -3.060 -1.568 0.922 332 2HG1 VAL 39 2HG1 VAL 39 -2.735 -1.043 -0.730 333 3HG1 VAL 39 3HG1 VAL 39 -4.381 -0.999 -0.099 334 1HG2 VAL 39 1HG2 VAL 39 -3.256 2.180 -0.738 335 2HG2 VAL 39 2HG2 VAL 39 -2.306 0.816 -1.322 336 3HG2 VAL 39 3HG2 VAL 39 -1.632 1.904 -0.109 337 H ASP 40 H ASP 40 -6.018 -0.817 1.240 338 HA ASP 40 HA ASP 40 -5.729 -1.220 4.145 339 1HB ASP 40 2HB ASP 40 -8.015 -0.363 3.009 340 2HB ASP 40 1HB ASP 40 -8.240 -2.101 2.830 341 H THR 41 H THR 41 -4.531 -2.988 4.399 342 HA THR 41 HA THR 41 -5.038 -5.289 2.634 343 HB THR 41 HB THR 41 -2.604 -5.339 4.290 344 HG1 THR 41 1HG THR 41 -1.582 -3.711 3.329 345 1HG2 THR 41 1HG2 THR 41 -2.557 -6.990 2.713 346 2HG2 THR 41 2HG2 THR 41 -1.664 -5.713 1.887 347 3HG2 THR 41 3HG2 THR 41 -3.358 -6.002 1.493 348 H ALA 42 H ALA 42 -6.766 -6.110 3.831 349 HA ALA 42 HA ALA 42 -7.654 -7.622 5.295 350 1HB ALA 42 1HB ALA 42 -5.235 -8.535 5.241 351 2HB ALA 42 2HB ALA 42 -6.304 -9.022 6.556 352 3HB ALA 42 3HB ALA 42 -5.087 -7.775 6.826 353 H GLU 43 H GLU 43 -8.840 -7.392 7.118 354 HA GLU 43 HA GLU 43 -8.035 -5.788 9.338 355 1HB GLU 43 2HB GLU 43 -8.758 -4.144 7.466 356 2HB GLU 43 1HB GLU 43 -10.390 -4.682 7.834 357 1HG GLU 43 2HG GLU 43 -10.492 -3.474 9.702 358 2HG GLU 43 1HG GLU 43 -8.864 -3.935 10.200 359 H THR 44 H THR 44 -9.041 -8.443 8.790 360 HA THR 44 HA THR 44 -11.696 -8.398 10.029 361 HB THR 44 HB THR 44 -11.753 -10.817 9.407 362 HG1 THR 44 1HG THR 44 -9.362 -10.242 8.004 363 1HG2 THR 44 1HG2 THR 44 -11.015 -9.507 6.869 364 2HG2 THR 44 2HG2 THR 44 -12.321 -8.775 7.800 365 3HG2 THR 44 3HG2 THR 44 -12.439 -10.459 7.290 366 H LYS 45 H LYS 45 -9.022 -7.972 11.376 367 HA LYS 45 HA LYS 45 -7.793 -8.726 13.167 368 1HB LYS 45 2HB LYS 45 -9.194 -8.997 15.178 369 2HB LYS 45 1HB LYS 45 -9.653 -7.599 14.217 370 1HG LYS 45 2HG LYS 45 -11.091 -10.152 13.746 371 2HG LYS 45 1HG LYS 45 -11.444 -9.247 15.218 372 1HD LYS 45 2HD LYS 45 -12.338 -7.469 14.074 373 2HD LYS 45 1HD LYS 45 -11.386 -7.786 12.622 374 1HE LYS 45 2HE LYS 45 -13.427 -8.483 11.885 375 2HE LYS 45 1HE LYS 45 -12.848 -9.992 12.589 376 1HZ LYS 45 1HZ LYS 45 -15.181 -9.252 13.190 377 2HZ LYS 45 2HZ LYS 45 -14.456 -8.061 14.149 378 3HZ LYS 45 3HZ LYS 45 -14.172 -9.697 14.474 379 H HIS 46 H HIS 46 -8.256 -10.828 11.238 380 HA HIS 46 HA HIS 46 -8.086 -13.085 10.986 381 1HB HIS 46 2HB HIS 46 -6.910 -12.981 13.769 382 2HB HIS 46 1HB HIS 46 -6.633 -14.221 12.552 383 HD1 HIS 46 1HD HIS 46 -6.167 -12.148 10.179 384 HD2 HIS 46 2HD HIS 46 -4.281 -12.127 13.881 385 HE1 HIS 46 1HE HIS 46 -4.010 -10.905 9.827 386 HE2 HIS 46 2HE HIS 46 -2.845 -10.985 12.059 387 H THR 47 H THR 47 -10.516 -11.965 12.423 388 HA THR 47 HA THR 47 -11.754 -14.465 12.966 389 HB THR 47 HB THR 47 -11.271 -12.626 15.315 390 HG1 THR 47 1HG THR 47 -10.366 -15.234 14.700 391 1HG2 THR 47 1HG2 THR 47 -13.470 -14.261 14.924 392 2HG2 THR 47 2HG2 THR 47 -12.904 -13.586 16.452 393 3HG2 THR 47 3HG2 THR 47 -12.392 -15.199 15.956 394 H LYS 48 H LYS 48 -12.684 -12.983 11.129 395 HA LYS 48 HA LYS 48 -14.748 -11.225 12.262 396 1HB LYS 48 2HB LYS 48 -13.242 -10.177 10.618 397 2HB LYS 48 1HB LYS 48 -13.715 -11.380 9.425 398 1HG LYS 48 2HG LYS 48 -16.106 -10.535 9.833 399 2HG LYS 48 1HG LYS 48 -15.323 -9.138 10.575 400 1HD LYS 48 2HD LYS 48 -14.226 -9.912 7.966 401 2HD LYS 48 1HD LYS 48 -15.905 -9.371 7.924 402 1HE LYS 48 2HE LYS 48 -13.759 -7.817 9.339 403 2HE LYS 48 1HE LYS 48 -14.093 -7.600 7.622 404 1HZ LYS 48 1HZ LYS 48 -15.517 -6.065 8.403 405 2HZ LYS 48 2HZ LYS 48 -15.651 -6.781 9.929 406 3HZ LYS 48 3HZ LYS 48 -16.543 -7.392 8.629 407 H LYS 49 H LYS 49 -14.229 -13.814 9.890 408 HA LYS 49 HA LYS 49 -16.700 -15.055 10.489 409 1HB LYS 49 2HB LYS 49 -17.705 -14.723 8.176 410 2HB LYS 49 1HB LYS 49 -17.798 -13.357 9.279 411 1HG LYS 49 2HG LYS 49 -15.422 -12.932 7.954 412 2HG LYS 49 1HG LYS 49 -16.478 -13.589 6.703 413 1HD LYS 49 2HD LYS 49 -17.350 -11.363 8.526 414 2HD LYS 49 1HD LYS 49 -16.479 -11.058 7.021 415 1HE LYS 49 2HE LYS 49 -18.261 -11.566 5.736 416 2HE LYS 49 1HE LYS 49 -18.782 -12.874 6.797 417 1HZ LYS 49 1HZ LYS 49 -20.436 -11.271 6.994 418 2HZ LYS 49 2HZ LYS 49 -19.340 -9.983 7.034 419 3HZ LYS 49 3HZ LYS 49 -19.483 -11.012 8.368 420 H GLY 50 H GLY 50 -14.120 -14.611 8.098 421 1HA GLY 50 2HA GLY 50 -13.060 -17.097 8.134 422 2HA GLY 50 1HA GLY 50 -14.440 -17.289 7.063 423 H VAL 51 H VAL 51 -12.124 -14.627 7.478 424 HA VAL 51 HA VAL 51 -10.989 -13.394 5.929 425 HB VAL 51 HB VAL 51 -9.475 -15.269 6.249 426 1HG1 VAL 51 1HG1 VAL 51 -10.759 -17.158 5.656 427 2HG1 VAL 51 2HG1 VAL 51 -9.437 -17.082 4.490 428 3HG1 VAL 51 3HG1 VAL 51 -11.052 -16.542 4.030 429 1HG2 VAL 51 1HG2 VAL 51 -9.319 -14.830 3.314 430 2HG2 VAL 51 2HG2 VAL 51 -8.061 -14.713 4.545 431 3HG2 VAL 51 3HG2 VAL 51 -9.248 -13.419 4.372 432 H GLU 52 H GLU 52 -13.504 -13.223 5.199 433 HA GLU 52 HA GLU 52 -14.009 -14.172 2.539 434 1HB GLU 52 2HB GLU 52 -16.057 -12.876 2.674 435 2HB GLU 52 1HB GLU 52 -15.823 -13.787 4.159 436 1HG GLU 52 2HG GLU 52 -16.228 -11.881 5.219 437 2HG GLU 52 1HG GLU 52 -14.610 -11.390 4.718 438 H LYS 53 H LYS 53 -12.772 -11.231 3.978 439 HA LYS 53 HA LYS 53 -12.755 -9.890 1.379 440 1HB LYS 53 2HB LYS 53 -12.071 -7.894 2.637 441 2HB LYS 53 1HB LYS 53 -13.555 -8.587 3.276 442 1HG LYS 53 2HG LYS 53 -12.594 -8.466 5.274 443 2HG LYS 53 1HG LYS 53 -11.586 -9.820 4.761 444 1HD LYS 53 2HD LYS 53 -9.861 -8.449 5.179 445 2HD LYS 53 1HD LYS 53 -10.289 -7.683 3.648 446 1HE LYS 53 2HE LYS 53 -11.017 -6.827 6.435 447 2HE LYS 53 1HE LYS 53 -10.116 -5.930 5.214 448 1HZ LYS 53 1HZ LYS 53 -12.995 -6.314 5.491 449 2HZ LYS 53 2HZ LYS 53 -12.378 -6.250 3.917 450 3HZ LYS 53 3HZ LYS 53 -12.130 -4.955 4.975 451 H TYR 54 H TYR 54 -11.012 -12.179 1.956 452 HA TYR 54 HA TYR 54 -8.856 -12.847 1.673 453 1HB TYR 54 2HB TYR 54 -8.900 -10.227 0.197 454 2HB TYR 54 1HB TYR 54 -7.429 -11.189 0.291 455 HD1 TYR 54 2HD TYR 54 -7.374 -13.458 -0.725 456 HD2 TYR 54 1HD TYR 54 -10.695 -10.849 -1.243 457 HE1 TYR 54 2HE TYR 54 -8.136 -14.816 -2.628 458 HE2 TYR 54 1HE TYR 54 -11.467 -12.200 -3.147 459 HH TYR 54 HH TYR 54 -9.520 -14.651 -4.573 460 H GLY 55 H GLY 55 -9.530 -11.459 4.131 461 1HA GLY 55 2HA GLY 55 -7.630 -9.579 4.932 462 2HA GLY 55 1HA GLY 55 -8.455 -10.693 6.011 463 H ALA 56 H ALA 56 -7.530 -13.087 5.579 464 HA ALA 56 HA ALA 56 -4.902 -13.049 6.607 465 1HB ALA 56 1HB ALA 56 -5.893 -15.544 5.363 466 2HB ALA 56 2HB ALA 56 -6.864 -14.862 6.667 467 3HB ALA 56 3HB ALA 56 -5.172 -15.274 6.950 468 H GLU 57 H GLU 57 -6.206 -13.587 3.381 469 HA GLU 57 HA GLU 57 -3.793 -14.461 2.185 470 1HB GLU 57 2HB GLU 57 -6.071 -14.792 1.221 471 2HB GLU 57 1HB GLU 57 -6.126 -13.073 0.859 472 1HG GLU 57 2HG GLU 57 -5.283 -13.612 -1.121 473 2HG GLU 57 1HG GLU 57 -3.755 -13.861 -0.278 474 H ALA 58 H ALA 58 -5.109 -11.322 2.918 475 HA ALA 58 HA ALA 58 -3.587 -9.743 1.170 476 1HB ALA 58 1HB ALA 58 -5.433 -9.299 3.228 477 2HB ALA 58 2HB ALA 58 -4.744 -8.106 2.129 478 3HB ALA 58 3HB ALA 58 -3.980 -8.413 3.690 479 H SER 59 H SER 59 -2.929 -10.805 4.493 480 HA SER 59 HA SER 59 -0.441 -9.495 4.739 481 1HB SER 59 2HB SER 59 -1.381 -11.990 6.174 482 2HB SER 59 1HB SER 59 -0.091 -10.905 6.696 483 HG SER 59 HG SER 59 -1.541 -9.419 7.265 484 H ALA 60 H ALA 60 -1.373 -12.648 3.505 485 HA ALA 60 HA ALA 60 1.127 -13.877 3.404 486 1HB ALA 60 1HB ALA 60 -0.057 -14.933 1.232 487 2HB ALA 60 2HB ALA 60 -1.463 -14.243 2.044 488 3HB ALA 60 3HB ALA 60 -0.443 -15.412 2.885 489 H PHE 61 H PHE 61 -0.491 -11.854 0.966 490 HA PHE 61 HA PHE 61 1.595 -12.014 -0.944 491 1HB PHE 61 2HB PHE 61 -0.721 -11.345 -1.509 492 2HB PHE 61 1HB PHE 61 -0.500 -9.854 -0.599 493 HD1 PHE 61 2HD PHE 61 1.480 -8.348 -1.354 494 HD2 PHE 61 1HD PHE 61 -0.282 -11.377 -3.768 495 HE1 PHE 61 2HE PHE 61 2.369 -7.251 -3.370 496 HE2 PHE 61 1HE PHE 61 0.603 -10.287 -5.789 497 HZ PHE 61 HZ PHE 61 1.930 -8.221 -5.591 498 H THR 62 H THR 62 0.921 -9.841 1.728 499 HA THR 62 HA THR 62 2.977 -7.968 1.063 500 HB THR 62 HB THR 62 1.537 -8.420 3.684 501 HG1 THR 62 1HG THR 62 1.011 -6.685 1.509 502 1HG2 THR 62 1HG2 THR 62 3.757 -6.850 3.279 503 2HG2 THR 62 2HG2 THR 62 2.575 -6.676 4.575 504 3HG2 THR 62 3HG2 THR 62 2.413 -5.722 3.101 505 H LYS 63 H LYS 63 2.756 -10.835 3.077 506 HA LYS 63 HA LYS 63 5.235 -10.465 4.425 507 1HB LYS 63 2HB LYS 63 3.089 -12.196 4.667 508 2HB LYS 63 1HB LYS 63 4.390 -13.244 4.126 509 1HG LYS 63 2HG LYS 63 5.058 -13.356 6.233 510 2HG LYS 63 1HG LYS 63 5.538 -11.664 6.104 511 1HD LYS 63 2HD LYS 63 3.932 -11.040 7.514 512 2HD LYS 63 1HD LYS 63 2.702 -11.870 6.558 513 1HE LYS 63 2HE LYS 63 3.496 -14.009 7.675 514 2HE LYS 63 1HE LYS 63 4.391 -12.974 8.788 515 1HZ LYS 63 1HZ LYS 63 2.501 -12.252 9.783 516 2HZ LYS 63 2HZ LYS 63 1.944 -13.771 9.288 517 3HZ LYS 63 3HZ LYS 63 1.556 -12.393 8.387 518 H LYS 64 H LYS 64 4.274 -12.379 1.594 519 HA LYS 64 HA LYS 64 6.818 -13.541 1.174 520 1HB LYS 64 2HB LYS 64 5.913 -13.944 -1.173 521 2HB LYS 64 1HB LYS 64 5.001 -14.640 0.157 522 1HG LYS 64 2HG LYS 64 3.182 -13.632 -0.586 523 2HG LYS 64 1HG LYS 64 3.944 -12.067 -0.301 524 1HD LYS 64 2HD LYS 64 4.398 -11.748 -2.486 525 2HD LYS 64 1HD LYS 64 4.796 -13.446 -2.755 526 1HE LYS 64 2HE LYS 64 2.125 -13.599 -2.299 527 2HE LYS 64 1HE LYS 64 2.244 -12.022 -3.081 528 1HZ LYS 64 1HZ LYS 64 1.944 -14.129 -4.513 529 2HZ LYS 64 2HZ LYS 64 3.601 -14.352 -4.262 530 3HZ LYS 64 3HZ LYS 64 3.044 -12.946 -5.016 531 H MET 65 H MET 65 5.272 -10.630 -0.107 532 HA MET 65 HA MET 65 7.352 -10.000 -1.933 533 1HB MET 65 2HB MET 65 4.825 -9.079 -1.537 534 2HB MET 65 1HB MET 65 5.767 -7.759 -0.858 535 1HG MET 65 2HG MET 65 7.106 -8.088 -3.137 536 2HG MET 65 1HG MET 65 5.530 -8.686 -3.653 537 1HE MET 65 1HE MET 65 3.820 -6.998 -4.741 538 2HE MET 65 2HE MET 65 5.432 -6.945 -5.455 539 3HE MET 65 3HE MET 65 4.555 -5.446 -5.146 540 H VAL 66 H VAL 66 6.794 -9.251 1.452 541 HA VAL 66 HA VAL 66 9.014 -7.370 1.516 542 HB VAL 66 HB VAL 66 8.479 -7.028 3.844 543 1HG1 VAL 66 1HG1 VAL 66 7.145 -5.640 2.596 544 2HG1 VAL 66 2HG1 VAL 66 5.933 -6.522 3.525 545 3HG1 VAL 66 3HG1 VAL 66 6.264 -6.975 1.853 546 1HG2 VAL 66 1HG2 VAL 66 6.744 -9.441 3.480 547 2HG2 VAL 66 2HG2 VAL 66 6.383 -8.251 4.729 548 3HG2 VAL 66 3HG2 VAL 66 7.928 -9.102 4.741 549 H GLU 67 H GLU 67 8.226 -10.547 2.909 550 HA GLU 67 HA GLU 67 10.654 -10.902 4.280 551 1HB GLU 67 2HB GLU 67 8.729 -12.940 3.152 552 2HB GLU 67 1HB GLU 67 10.062 -13.330 4.229 553 1HG GLU 67 2HG GLU 67 8.082 -11.278 5.078 554 2HG GLU 67 1HG GLU 67 7.634 -12.982 5.143 555 H ASN 68 H ASN 68 9.821 -11.179 0.941 556 HA ASN 68 HA ASN 68 12.271 -12.643 0.313 557 1HB ASN 68 2HB ASN 68 9.960 -13.100 -0.759 558 2HB ASN 68 1HB ASN 68 10.277 -11.652 -1.711 559 1HD2 ASN 68 1HD2 ASN 68 10.882 -14.970 -1.332 560 2HD2 ASN 68 2HD2 ASN 68 12.001 -15.159 -2.634 561 H ALA 69 H ALA 69 10.808 -9.477 -0.028 562 HA ALA 69 HA ALA 69 12.773 -8.416 -1.792 563 1HB ALA 69 1HB ALA 69 10.593 -7.401 -1.694 564 2HB ALA 69 2HB ALA 69 11.804 -6.222 -1.189 565 3HB ALA 69 3HB ALA 69 10.801 -7.031 0.017 566 H LYS 70 H LYS 70 14.731 -9.005 -0.843 567 HA LYS 70 HA LYS 70 15.601 -8.529 1.732 568 1HB LYS 70 2HB LYS 70 17.261 -8.327 -0.784 569 2HB LYS 70 1HB LYS 70 17.871 -8.606 0.843 570 1HG LYS 70 2HG LYS 70 17.480 -10.791 0.721 571 2HG LYS 70 1HG LYS 70 15.848 -10.542 0.093 572 1HD LYS 70 2HD LYS 70 16.493 -10.839 -2.040 573 2HD LYS 70 1HD LYS 70 17.995 -9.939 -1.813 574 1HE LYS 70 2HE LYS 70 17.515 -12.763 -0.869 575 2HE LYS 70 1HE LYS 70 18.352 -12.331 -2.359 576 1HZ LYS 70 1HZ LYS 70 20.195 -11.719 -1.250 577 2HZ LYS 70 2HZ LYS 70 19.591 -12.740 -0.044 578 3HZ LYS 70 3HZ LYS 70 19.345 -11.070 0.061 579 H LYS 71 H LYS 71 15.076 -6.277 -0.842 580 HA LYS 71 HA LYS 71 16.094 -4.121 0.886 581 1HB LYS 71 2HB LYS 71 17.616 -4.301 -0.964 582 2HB LYS 71 1HB LYS 71 16.293 -4.396 -2.117 583 1HG LYS 71 2HG LYS 71 15.965 -1.977 -0.712 584 2HG LYS 71 1HG LYS 71 17.673 -2.098 -1.137 585 1HD LYS 71 2HD LYS 71 17.269 -1.856 -3.339 586 2HD LYS 71 1HD LYS 71 15.817 -2.858 -3.283 587 1HE LYS 71 2HE LYS 71 14.584 -0.974 -2.291 588 2HE LYS 71 1HE LYS 71 16.034 0.022 -2.408 589 1HZ LYS 71 1HZ LYS 71 14.751 -1.258 -4.755 590 2HZ LYS 71 2HZ LYS 71 15.954 -0.070 -4.758 591 3HZ LYS 71 3HZ LYS 71 14.389 0.314 -4.244 592 H ILE 72 H ILE 72 14.485 -2.873 1.558 593 HA ILE 72 HA ILE 72 12.169 -2.509 -0.218 594 HB ILE 72 HB ILE 72 11.969 -2.438 2.782 595 1HG1 ILE 72 2HG1 ILE 72 10.854 -4.763 2.356 596 2HG1 ILE 72 1HG1 ILE 72 11.838 -4.773 0.897 597 1HG2 ILE 72 1HG2 ILE 72 9.805 -3.095 0.823 598 2HG2 ILE 72 2HG2 ILE 72 10.241 -1.417 1.155 599 3HG2 ILE 72 3HG2 ILE 72 9.668 -2.455 2.461 600 1HD1 ILE 72 1HD1 ILE 72 13.743 -5.131 2.031 601 2HD1 ILE 72 2HD1 ILE 72 12.637 -5.774 3.244 602 3HD1 ILE 72 3HD1 ILE 72 13.250 -4.127 3.394 603 H GLU 73 H GLU 73 11.283 -0.487 -0.390 604 HA GLU 73 HA GLU 73 12.645 1.696 1.042 605 1HB GLU 73 2HB GLU 73 11.696 1.913 -1.809 606 2HB GLU 73 1HB GLU 73 12.738 3.021 -0.927 607 1HG GLU 73 2HG GLU 73 14.134 0.661 -0.826 608 2HG GLU 73 1HG GLU 73 13.399 0.621 -2.428 609 H VAL 74 H VAL 74 11.377 3.453 1.638 610 HA VAL 74 HA VAL 74 8.482 3.133 1.192 611 HB VAL 74 HB VAL 74 8.041 4.021 3.386 612 1HG1 VAL 74 1HG1 VAL 74 8.120 1.852 3.902 613 2HG1 VAL 74 2HG1 VAL 74 9.685 2.204 4.633 614 3HG1 VAL 74 3HG1 VAL 74 9.599 1.598 2.978 615 1HG2 VAL 74 1HG2 VAL 74 9.789 4.560 4.981 616 2HG2 VAL 74 2HG2 VAL 74 9.959 5.553 3.534 617 3HG2 VAL 74 3HG2 VAL 74 11.026 4.174 3.788 618 H GLU 75 H GLU 75 7.240 5.007 0.960 619 HA GLU 75 HA GLU 75 8.746 7.504 0.565 620 1HB GLU 75 2HB GLU 75 8.229 6.451 -1.616 621 2HB GLU 75 1HB GLU 75 6.519 6.475 -1.206 622 1HG GLU 75 2HG GLU 75 7.872 9.070 -1.013 623 2HG GLU 75 1HG GLU 75 7.792 8.386 -2.635 624 H PHE 76 H PHE 76 8.034 8.964 1.967 625 HA PHE 76 HA PHE 76 5.399 8.716 3.139 626 1HB PHE 76 2HB PHE 76 7.856 10.286 3.730 627 2HB PHE 76 1HB PHE 76 6.319 10.950 4.277 628 HD1 PHE 76 1HD PHE 76 8.647 8.125 4.580 629 HD2 PHE 76 2HD PHE 76 5.109 9.957 6.075 630 HE1 PHE 76 1HE PHE 76 8.709 6.638 6.537 631 HE2 PHE 76 2HE PHE 76 5.165 8.473 8.036 632 HZ PHE 76 HZ PHE 76 6.965 6.811 8.271 633 H ASP 77 H ASP 77 3.706 10.069 2.879 634 HA ASP 77 HA ASP 77 3.625 11.638 0.478 635 1HB ASP 77 2HB ASP 77 1.272 11.936 0.998 636 2HB ASP 77 1HB ASP 77 1.716 10.255 1.274 637 H LYS 78 H LYS 78 1.898 13.721 1.235 638 HA LYS 78 HA LYS 78 3.626 15.370 2.958 639 1HB LYS 78 2HB LYS 78 2.272 16.097 0.364 640 2HB LYS 78 1HB LYS 78 2.871 17.307 1.490 641 1HG LYS 78 2HG LYS 78 4.549 15.169 0.194 642 2HG LYS 78 1HG LYS 78 4.443 16.849 -0.339 643 1HD LYS 78 2HD LYS 78 5.038 17.175 2.287 644 2HD LYS 78 1HD LYS 78 5.886 15.667 1.937 645 1HE LYS 78 2HE LYS 78 6.584 17.132 -0.220 646 2HE LYS 78 1HE LYS 78 6.411 18.408 0.986 647 1HZ LYS 78 1HZ LYS 78 8.083 15.978 1.334 648 2HZ LYS 78 2HZ LYS 78 7.983 17.293 2.394 649 3HZ LYS 78 3HZ LYS 78 8.674 17.492 0.862 650 H GLY 79 H GLY 79 0.951 13.823 3.252 651 1HA GLY 79 2HA GLY 79 -0.684 16.098 4.171 652 2HA GLY 79 1HA GLY 79 -1.316 14.515 3.748 653 H GLN 80 H GLN 80 -0.049 12.714 5.134 654 HA GLN 80 HA GLN 80 0.117 13.619 7.916 655 1HB GLN 80 2HB GLN 80 -2.150 12.842 7.662 656 2HB GLN 80 1HB GLN 80 -1.605 11.366 6.880 657 1HG GLN 80 2HG GLN 80 -1.971 10.543 8.943 658 2HG GLN 80 1HG GLN 80 -0.313 11.086 9.174 659 1HE2 GLN 80 1HE2 GLN 80 0.104 12.831 10.484 660 2HE2 GLN 80 2HE2 GLN 80 -1.090 13.546 11.507 661 H ARG 81 H ARG 81 1.563 12.550 9.166 662 HA ARG 81 HA ARG 81 3.234 10.542 7.826 663 1HB ARG 81 2HB ARG 81 4.088 12.799 8.913 664 2HB ARG 81 1HB ARG 81 4.021 11.853 10.395 665 1HG ARG 81 2HG ARG 81 5.613 10.311 9.602 666 2HG ARG 81 1HG ARG 81 5.485 10.918 7.950 667 1HD ARG 81 2HD ARG 81 7.538 11.631 9.252 668 2HD ARG 81 1HD ARG 81 6.606 12.920 8.490 669 HE ARG 81 HE ARG 81 6.112 13.747 10.568 670 1HH1 ARG 81 1HH1 ARG 81 7.358 10.505 10.907 671 2HH1 ARG 81 2HH1 ARG 81 7.463 10.592 12.633 672 1HH2 ARG 81 1HH2 ARG 81 6.249 13.864 12.838 673 2HH2 ARG 81 2HH2 ARG 81 6.832 12.497 13.730 674 H THR 82 H THR 82 1.077 11.088 10.448 675 HA THR 82 HA THR 82 1.187 8.270 11.177 676 HB THR 82 HB THR 82 1.463 8.616 13.499 677 HG1 THR 82 1HG THR 82 1.271 10.572 14.480 678 1HG2 THR 82 1HG2 THR 82 3.336 10.446 12.031 679 2HG2 THR 82 2HG2 THR 82 3.622 8.795 12.580 680 3HG2 THR 82 3HG2 THR 82 3.479 10.101 13.754 681 H ASP 83 H ASP 83 -0.846 7.795 10.556 682 HA ASP 83 HA ASP 83 -3.055 9.339 10.348 683 1HB ASP 83 2HB ASP 83 -2.968 7.005 9.628 684 2HB ASP 83 1HB ASP 83 -3.008 6.473 11.306 685 H LYS 84 H LYS 84 -2.379 7.388 13.269 686 HA LYS 84 HA LYS 84 -3.151 9.460 15.040 687 1HB LYS 84 2HB LYS 84 -5.256 7.707 14.039 688 2HB LYS 84 1HB LYS 84 -5.138 7.677 15.793 689 1HG LYS 84 2HG LYS 84 -6.357 9.525 15.821 690 2HG LYS 84 1HG LYS 84 -4.976 10.372 15.123 691 1HD LYS 84 2HD LYS 84 -6.397 10.863 13.452 692 2HD LYS 84 1HD LYS 84 -6.076 9.211 12.917 693 1HE LYS 84 2HE LYS 84 -8.020 8.581 14.507 694 2HE LYS 84 1HE LYS 84 -8.434 10.293 14.412 695 1HZ LYS 84 1HZ LYS 84 -8.677 8.216 12.403 696 2HZ LYS 84 2HZ LYS 84 -8.117 9.705 11.834 697 3HZ LYS 84 3HZ LYS 84 -9.603 9.612 12.635 698 H TYR 85 H TYR 85 -2.993 5.943 14.617 699 HA TYR 85 HA TYR 85 -2.495 5.247 17.273 700 1HB TYR 85 2HB TYR 85 -1.540 3.896 14.741 701 2HB TYR 85 1HB TYR 85 -1.508 3.169 16.344 702 HD1 TYR 85 1HD TYR 85 -3.899 3.288 17.582 703 HD2 TYR 85 2HD TYR 85 -3.293 3.315 13.370 704 HE1 TYR 85 1HE TYR 85 -6.190 2.458 17.253 705 HE2 TYR 85 2HE TYR 85 -5.583 2.485 13.030 706 HH TYR 85 HH TYR 85 -7.886 2.693 14.723 707 H GLY 86 H GLY 86 -0.459 6.812 14.979 708 1HA GLY 86 2HA GLY 86 1.521 7.942 15.677 709 2HA GLY 86 1HA GLY 86 1.732 6.731 16.934 710 H ARG 87 H ARG 87 0.879 5.683 13.757 711 HA ARG 87 HA ARG 87 3.479 4.392 13.499 712 1HB ARG 87 2HB ARG 87 0.772 3.959 12.327 713 2HB ARG 87 1HB ARG 87 2.168 3.414 11.410 714 1HG ARG 87 2HG ARG 87 1.938 1.527 12.580 715 2HG ARG 87 1HG ARG 87 2.729 2.422 13.879 716 1HD ARG 87 2HD ARG 87 -0.153 2.878 13.723 717 2HD ARG 87 1HD ARG 87 0.279 1.199 14.038 718 HE ARG 87 HE ARG 87 0.588 3.432 15.819 719 1HH1 ARG 87 1HH1 ARG 87 1.742 0.238 15.015 720 2HH1 ARG 87 2HH1 ARG 87 2.339 -0.083 16.608 721 1HH2 ARG 87 1HH2 ARG 87 1.372 3.011 17.915 722 2HH2 ARG 87 2HH2 ARG 87 2.128 1.491 18.255 723 H GLY 88 H GLY 88 4.028 4.131 10.971 724 1HA GLY 88 2HA GLY 88 4.212 6.897 9.957 725 2HA GLY 88 1HA GLY 88 5.443 5.665 9.709 726 H LEU 89 H LEU 89 2.029 6.384 8.989 727 HA LEU 89 HA LEU 89 1.691 4.452 7.013 728 1HB LEU 89 2HB LEU 89 0.001 6.245 6.074 729 2HB LEU 89 1HB LEU 89 -0.325 5.352 7.543 730 HG LEU 89 HG LEU 89 0.264 7.230 8.910 731 1HD1 LEU 89 1HD1 LEU 89 0.958 9.377 7.900 732 2HD1 LEU 89 2HD1 LEU 89 1.112 8.563 6.344 733 3HD1 LEU 89 3HD1 LEU 89 2.150 8.096 7.692 734 1HD2 LEU 89 1HD2 LEU 89 -1.646 8.369 8.559 735 2HD2 LEU 89 2HD2 LEU 89 -1.926 7.136 7.329 736 3HD2 LEU 89 3HD2 LEU 89 -1.261 8.704 6.871 737 H ALA 90 H ALA 90 2.263 4.271 4.939 738 HA ALA 90 HA ALA 90 2.843 6.343 3.158 739 1HB ALA 90 1HB ALA 90 4.832 6.263 4.978 740 2HB ALA 90 2HB ALA 90 5.053 6.776 3.305 741 3HB ALA 90 3HB ALA 90 5.454 5.127 3.781 742 H TYR 91 H TYR 91 4.028 5.511 1.177 743 HA TYR 91 HA TYR 91 2.957 2.919 0.528 744 1HB TYR 91 2HB TYR 91 4.774 4.512 -1.262 745 2HB TYR 91 1HB TYR 91 3.475 3.414 -1.711 746 HD1 TYR 91 1HD TYR 91 1.120 4.138 -1.521 747 HD2 TYR 91 2HD TYR 91 4.339 6.813 -0.761 748 HE1 TYR 91 1HE TYR 91 -0.423 6.041 -1.722 749 HE2 TYR 91 2HE TYR 91 2.805 8.725 -0.960 750 HH TYR 91 HH TYR 91 0.692 9.305 -1.875 751 H ILE 92 H ILE 92 4.006 1.029 0.389 752 HA ILE 92 HA ILE 92 6.841 0.993 1.132 753 HB ILE 92 HB ILE 92 4.894 -1.314 1.038 754 1HG1 ILE 92 2HG1 ILE 92 4.346 0.514 2.704 755 2HG1 ILE 92 1HG1 ILE 92 4.604 -1.085 3.393 756 1HG2 ILE 92 1HG2 ILE 92 6.878 -1.971 2.801 757 2HG2 ILE 92 2HG2 ILE 92 7.760 -1.096 1.550 758 3HG2 ILE 92 3HG2 ILE 92 6.786 -2.501 1.121 759 1HD1 ILE 92 1HD1 ILE 92 7.099 0.237 3.375 760 2HD1 ILE 92 2HD1 ILE 92 6.109 -0.228 4.759 761 3HD1 ILE 92 3HD1 ILE 92 5.900 1.359 4.019 762 H TYR 93 H TYR 93 8.394 -0.014 -0.101 763 HA TYR 93 HA TYR 93 7.552 -1.096 -2.701 764 1HB TYR 93 2HB TYR 93 9.832 0.839 -2.243 765 2HB TYR 93 1HB TYR 93 9.464 0.046 -3.772 766 HD1 TYR 93 1HD TYR 93 8.192 2.479 -1.289 767 HD2 TYR 93 2HD TYR 93 7.800 0.906 -5.223 768 HE1 TYR 93 1HE TYR 93 6.670 4.322 -1.869 769 HE2 TYR 93 2HE TYR 93 6.277 2.744 -5.813 770 HH TYR 93 HH TYR 93 4.913 4.822 -3.482 771 H ALA 94 H ALA 94 8.370 -3.036 -3.097 772 HA ALA 94 HA ALA 94 10.653 -3.959 -1.481 773 1HB ALA 94 1HB ALA 94 9.515 -6.168 -2.747 774 2HB ALA 94 2HB ALA 94 8.148 -5.162 -2.269 775 3HB ALA 94 3HB ALA 94 9.319 -5.691 -1.061 776 H ASP 95 H ASP 95 12.538 -4.269 -2.434 777 HA ASP 95 HA ASP 95 14.136 -4.183 -4.074 778 1HB ASP 95 2HB ASP 95 12.373 -6.323 -5.274 779 2HB ASP 95 1HB ASP 95 14.106 -6.124 -5.516 780 H GLY 96 H GLY 96 12.329 -2.135 -4.523 781 1HA GLY 96 2HA GLY 96 12.013 -0.573 -6.199 782 2HA GLY 96 1HA GLY 96 12.724 -1.704 -7.338 783 H LYS 97 H LYS 97 10.095 -2.835 -5.408 784 HA LYS 97 HA LYS 97 8.282 -2.513 -7.705 785 1HB LYS 97 2HB LYS 97 8.986 -4.833 -7.520 786 2HB LYS 97 1HB LYS 97 8.537 -4.863 -5.821 787 1HG LYS 97 2HG LYS 97 6.597 -5.701 -6.498 788 2HG LYS 97 1HG LYS 97 6.215 -4.073 -7.059 789 1HD LYS 97 2HD LYS 97 5.819 -5.356 -8.948 790 2HD LYS 97 1HD LYS 97 7.471 -4.792 -9.213 791 1HE LYS 97 2HE LYS 97 8.345 -6.903 -8.379 792 2HE LYS 97 1HE LYS 97 6.709 -7.464 -8.038 793 1HZ LYS 97 1HZ LYS 97 7.181 -8.422 -10.068 794 2HZ LYS 97 2HZ LYS 97 8.020 -7.073 -10.647 795 3HZ LYS 97 3HZ LYS 97 6.333 -7.031 -10.531 796 H MET 98 H MET 98 6.191 -1.911 -7.294 797 HA MET 98 HA MET 98 5.687 -0.699 -4.730 798 1HB MET 98 2HB MET 98 3.814 -0.947 -7.087 799 2HB MET 98 1HB MET 98 3.674 0.174 -5.739 800 1HG MET 98 2HG MET 98 6.056 0.931 -6.583 801 2HG MET 98 1HG MET 98 5.469 0.250 -8.099 802 1HE MET 98 1HE MET 98 4.296 2.032 -5.098 803 2HE MET 98 2HE MET 98 2.715 2.549 -5.683 804 3HE MET 98 3HE MET 98 4.055 3.694 -5.635 805 H VAL 99 H VAL 99 4.872 -1.757 -3.053 806 HA VAL 99 HA VAL 99 3.712 -4.355 -3.300 807 HB VAL 99 HB VAL 99 3.642 -2.589 -0.856 808 1HG1 VAL 99 1HG1 VAL 99 4.019 -5.497 -0.635 809 2HG1 VAL 99 2HG1 VAL 99 2.451 -4.985 -1.262 810 3HG1 VAL 99 3HG1 VAL 99 3.004 -4.405 0.309 811 1HG2 VAL 99 1HG2 VAL 99 5.904 -3.902 -2.183 812 2HG2 VAL 99 2HG2 VAL 99 5.753 -4.261 -0.462 813 3HG2 VAL 99 3HG2 VAL 99 5.883 -2.589 -1.006 814 H ASN 100 H ASN 100 2.424 -1.173 -2.363 815 HA ASN 100 HA ASN 100 -0.207 -1.926 -1.883 816 1HB ASN 100 2HB ASN 100 -0.746 0.480 -2.511 817 2HB ASN 100 1HB ASN 100 0.455 0.261 -1.243 818 1HD2 ASN 100 1HD2 ASN 100 2.566 0.830 -1.616 819 2HD2 ASN 100 2HD2 ASN 100 3.066 1.728 -3.004 820 H GLU 101 H GLU 101 1.241 -0.755 -4.918 821 HA GLU 101 HA GLU 101 -1.094 -0.927 -6.471 822 1HB GLU 101 2HB GLU 101 1.833 -0.980 -7.172 823 2HB GLU 101 1HB GLU 101 0.585 -1.093 -8.405 824 1HG GLU 101 2HG GLU 101 0.528 1.143 -6.431 825 2HG GLU 101 1HG GLU 101 1.625 1.207 -7.811 826 H ALA 102 H ALA 102 1.553 -3.250 -5.990 827 HA ALA 102 HA ALA 102 0.674 -5.226 -7.747 828 1HB ALA 102 1HB ALA 102 1.999 -5.926 -5.157 829 2HB ALA 102 2HB ALA 102 2.875 -5.038 -6.403 830 3HB ALA 102 3HB ALA 102 2.223 -6.637 -6.755 831 H LEU 103 H LEU 103 -0.138 -4.688 -4.341 832 HA LEU 103 HA LEU 103 -1.744 -7.018 -4.082 833 1HB LEU 103 2HB LEU 103 -1.573 -4.472 -2.482 834 2HB LEU 103 1HB LEU 103 -2.649 -5.788 -2.054 835 HG LEU 103 HG LEU 103 0.199 -6.501 -2.435 836 1HD1 LEU 103 1HD1 LEU 103 -0.729 -5.032 0.026 837 2HD1 LEU 103 2HD1 LEU 103 0.300 -4.340 -1.228 838 3HD1 LEU 103 3HD1 LEU 103 0.873 -5.706 -0.271 839 1HD2 LEU 103 1HD2 LEU 103 -1.960 -7.233 -0.464 840 2HD2 LEU 103 2HD2 LEU 103 -0.318 -7.875 -0.427 841 3HD2 LEU 103 3HD2 LEU 103 -1.364 -8.207 -1.808 842 H VAL 104 H VAL 104 -2.530 -3.593 -4.615 843 HA VAL 104 HA VAL 104 -5.323 -3.927 -4.711 844 HB VAL 104 HB VAL 104 -3.722 -1.790 -6.115 845 1HG1 VAL 104 1HG1 VAL 104 -6.373 -2.278 -6.331 846 2HG1 VAL 104 2HG1 VAL 104 -5.646 -0.678 -6.475 847 3HG1 VAL 104 3HG1 VAL 104 -6.351 -1.192 -4.942 848 1HG2 VAL 104 1HG2 VAL 104 -3.357 -0.720 -4.171 849 2HG2 VAL 104 2HG2 VAL 104 -3.570 -2.317 -3.456 850 3HG2 VAL 104 3HG2 VAL 104 -4.922 -1.187 -3.503 851 H ARG 105 H ARG 105 -2.902 -3.762 -7.321 852 HA ARG 105 HA ARG 105 -4.723 -4.034 -9.445 853 1HB ARG 105 2HB ARG 105 -2.824 -4.495 -10.836 854 2HB ARG 105 1HB ARG 105 -2.360 -3.269 -9.666 855 1HG ARG 105 2HG ARG 105 -0.640 -4.513 -9.052 856 2HG ARG 105 1HG ARG 105 -1.746 -5.787 -8.536 857 1HD ARG 105 2HD ARG 105 -1.733 -6.747 -10.756 858 2HD ARG 105 1HD ARG 105 -0.733 -5.423 -11.353 859 HE ARG 105 HE ARG 105 0.443 -6.893 -9.175 860 1HH1 ARG 105 1HH1 ARG 105 0.053 -6.713 -12.639 861 2HH1 ARG 105 2HH1 ARG 105 1.493 -7.615 -12.972 862 1HH2 ARG 105 1HH2 ARG 105 2.337 -8.079 -9.613 863 2HH2 ARG 105 2HH2 ARG 105 2.790 -8.389 -11.255 864 H GLN 106 H GLN 106 -3.270 -6.374 -7.313 865 HA GLN 106 HA GLN 106 -4.135 -8.616 -8.952 866 1HB GLN 106 2HB GLN 106 -1.966 -8.440 -7.489 867 2HB GLN 106 1HB GLN 106 -3.041 -8.912 -6.179 868 1HG GLN 106 2HG GLN 106 -3.404 -11.007 -7.050 869 2HG GLN 106 1HG GLN 106 -3.005 -10.510 -8.694 870 1HE2 GLN 106 1HE2 GLN 106 -1.998 -12.454 -6.389 871 2HE2 GLN 106 2HE2 GLN 106 -0.285 -12.391 -6.611 872 H GLY 107 H GLY 107 -5.153 -6.826 -6.152 873 1HA GLY 107 2HA GLY 107 -7.443 -6.839 -5.465 874 2HA GLY 107 1HA GLY 107 -7.569 -8.497 -6.035 875 H LEU 108 H LEU 108 -5.402 -6.772 -3.794 876 HA LEU 108 HA LEU 108 -6.111 -8.752 -1.735 877 1HB LEU 108 2HB LEU 108 -3.432 -7.918 -2.726 878 2HB LEU 108 1HB LEU 108 -3.602 -8.236 -1.010 879 HG LEU 108 HG LEU 108 -2.781 -10.191 -2.275 880 1HD1 LEU 108 1HD1 LEU 108 -4.879 -11.677 -1.523 881 2HD1 LEU 108 2HD1 LEU 108 -5.246 -10.187 -0.654 882 3HD1 LEU 108 3HD1 LEU 108 -3.708 -11.008 -0.387 883 1HD2 LEU 108 1HD2 LEU 108 -4.458 -9.474 -4.233 884 2HD2 LEU 108 2HD2 LEU 108 -5.453 -10.692 -3.433 885 3HD2 LEU 108 3HD2 LEU 108 -3.852 -11.120 -4.039 886 H ALA 109 H ALA 109 -4.945 -5.497 -2.447 887 HA ALA 109 HA ALA 109 -5.688 -4.695 0.287 888 1HB ALA 109 1HB ALA 109 -3.275 -4.355 -0.853 889 2HB ALA 109 2HB ALA 109 -3.936 -3.277 0.375 890 3HB ALA 109 3HB ALA 109 -4.057 -2.848 -1.331 891 H LYS 110 H LYS 110 -6.991 -2.912 0.604 892 HA LYS 110 HA LYS 110 -8.575 -2.118 -1.723 893 1HB LYS 110 2HB LYS 110 -9.170 -1.479 1.160 894 2HB LYS 110 1HB LYS 110 -10.284 -1.487 -0.202 895 1HG LYS 110 2HG LYS 110 -10.060 -3.916 -0.368 896 2HG LYS 110 1HG LYS 110 -8.957 -3.902 1.012 897 1HD LYS 110 2HD LYS 110 -10.669 -3.136 2.473 898 2HD LYS 110 1HD LYS 110 -11.763 -2.820 1.124 899 1HE LYS 110 2HE LYS 110 -10.720 -5.559 1.818 900 2HE LYS 110 1HE LYS 110 -12.241 -4.915 2.431 901 1HZ LYS 110 1HZ LYS 110 -13.246 -5.154 0.444 902 2HZ LYS 110 2HZ LYS 110 -12.056 -6.330 0.199 903 3HZ LYS 110 3HZ LYS 110 -11.857 -4.781 -0.448 904 H VAL 111 H VAL 111 -9.597 0.302 -0.684 905 HA VAL 111 HA VAL 111 -7.203 2.022 -0.732 906 HB VAL 111 HB VAL 111 -9.887 2.730 -1.918 907 1HG1 VAL 111 1HG1 VAL 111 -8.982 4.777 -1.679 908 2HG1 VAL 111 2HG1 VAL 111 -8.059 4.326 -3.113 909 3HG1 VAL 111 3HG1 VAL 111 -7.343 4.149 -1.511 910 1HG2 VAL 111 1HG2 VAL 111 -8.695 0.829 -3.075 911 2HG2 VAL 111 2HG2 VAL 111 -7.406 1.975 -3.445 912 3HG2 VAL 111 3HG2 VAL 111 -9.032 2.243 -4.074 913 H ALA 112 H ALA 112 -6.956 2.952 1.179 914 HA ALA 112 HA ALA 112 -8.863 3.140 3.198 915 1HB ALA 112 1HB ALA 112 -7.210 4.050 4.434 916 2HB ALA 112 2HB ALA 112 -6.787 5.232 3.194 917 3HB ALA 112 3HB ALA 112 -6.202 3.572 3.069 918 H TYR 113 H TYR 113 -8.878 5.714 4.155 919 HA TYR 113 HA TYR 113 -10.270 7.251 2.067 920 1HB TYR 113 2HB TYR 113 -11.902 7.975 3.807 921 2HB TYR 113 1HB TYR 113 -11.978 6.252 3.453 922 HD1 TYR 113 1HD TYR 113 -10.529 4.728 5.037 923 HD2 TYR 113 2HD TYR 113 -11.827 8.660 6.015 924 HE1 TYR 113 1HE TYR 113 -10.240 4.223 7.426 925 HE2 TYR 113 2HE TYR 113 -11.540 8.166 8.407 926 HH TYR 113 HH TYR 113 -9.794 6.020 9.646 927 H VAL 114 H VAL 114 -7.649 7.721 2.593 928 HA VAL 114 HA VAL 114 -7.367 9.799 4.579 929 HB VAL 114 HB VAL 114 -5.384 9.014 2.449 930 1HG1 VAL 114 1HG1 VAL 114 -5.066 10.409 5.102 931 2HG1 VAL 114 2HG1 VAL 114 -4.896 11.136 3.505 932 3HG1 VAL 114 3HG1 VAL 114 -3.742 9.918 4.047 933 1HG2 VAL 114 1HG2 VAL 114 -5.602 7.933 5.255 934 2HG2 VAL 114 2HG2 VAL 114 -4.398 7.494 4.044 935 3HG2 VAL 114 3HG2 VAL 114 -6.091 7.065 3.801 936 H TYR 115 H TYR 115 -8.785 11.424 3.906 937 HA TYR 115 HA TYR 115 -8.214 12.688 1.318 938 1HB TYR 115 2HB TYR 115 -10.345 13.889 1.655 939 2HB TYR 115 1HB TYR 115 -10.560 12.142 1.706 940 HD1 TYR 115 2HD TYR 115 -11.006 11.012 3.856 941 HD2 TYR 115 1HD TYR 115 -10.778 15.251 3.578 942 HE1 TYR 115 2HE TYR 115 -12.114 11.209 6.042 943 HE2 TYR 115 1HE TYR 115 -11.885 15.460 5.764 944 HH TYR 115 HH TYR 115 -12.030 13.640 7.935 945 H LYS 116 H LYS 116 -6.297 13.019 3.303 946 HA LYS 116 HA LYS 116 -5.891 15.768 3.307 947 1HB LYS 116 2HB LYS 116 -6.187 16.227 5.770 948 2HB LYS 116 1HB LYS 116 -7.678 16.053 4.855 949 1HG LYS 116 2HG LYS 116 -8.198 14.776 6.656 950 2HG LYS 116 1HG LYS 116 -7.446 13.541 5.645 951 1HD LYS 116 2HD LYS 116 -6.214 13.137 7.489 952 2HD LYS 116 1HD LYS 116 -5.276 14.523 6.929 953 1HE LYS 116 2HE LYS 116 -7.640 15.174 8.557 954 2HE LYS 116 1HE LYS 116 -6.360 14.303 9.403 955 1HZ LYS 116 1HZ LYS 116 -6.357 17.001 8.303 956 2HZ LYS 116 2HZ LYS 116 -4.913 16.130 8.170 957 3HZ LYS 116 3HZ LYS 116 -5.602 16.397 9.692 958 H GLY 117 H GLY 117 -5.370 12.728 5.005 959 1HA GLY 117 2HA GLY 117 -2.731 13.540 5.902 960 2HA GLY 117 1HA GLY 117 -3.501 11.989 6.192 961 H ASN 118 H ASN 118 -3.720 12.825 2.942 962 HA ASN 118 HA ASN 118 -1.230 12.253 1.880 963 1HB ASN 118 2HB ASN 118 -1.439 10.062 2.986 964 2HB ASN 118 1HB ASN 118 -2.952 9.775 2.136 965 1HD2 ASN 118 1HD2 ASN 118 -2.205 7.952 1.105 966 2HD2 ASN 118 2HD2 ASN 118 -1.036 8.008 -0.164 967 H ASN 119 H ASN 119 -1.289 12.702 -0.237 968 HA ASN 119 HA ASN 119 -3.519 12.060 -1.910 969 1HB ASN 119 2HB ASN 119 -3.997 14.461 -2.525 970 2HB ASN 119 1HB ASN 119 -4.546 13.980 -0.922 971 1HD2 ASN 119 1HD2 ASN 119 -3.617 16.568 -2.273 972 2HD2 ASN 119 2HD2 ASN 119 -2.520 17.246 -1.124 973 H THR 120 H THR 120 -0.816 11.425 -2.018 974 HA THR 120 HA THR 120 0.233 13.106 -4.189 975 HB THR 120 HB THR 120 1.827 10.951 -2.852 976 HG1 THR 120 1HG THR 120 1.281 13.525 -1.807 977 1HG2 THR 120 1HG2 THR 120 2.691 12.302 -4.809 978 2HG2 THR 120 2HG2 THR 120 3.702 12.256 -3.363 979 3HG2 THR 120 3HG2 THR 120 2.720 13.680 -3.708 980 H HIS 121 H HIS 121 -0.578 9.783 -3.331 981 HA HIS 121 HA HIS 121 -0.194 9.026 -6.153 982 1HB HIS 121 2HB HIS 121 0.033 7.419 -3.616 983 2HB HIS 121 1HB HIS 121 -0.154 6.649 -5.188 984 HD1 HIS 121 1HD HIS 121 1.830 9.555 -5.737 985 HD2 HIS 121 2HD HIS 121 2.563 5.761 -4.208 986 HE1 HIS 121 1HE HIS 121 4.319 9.232 -5.902 987 HE2 HIS 121 2HE HIS 121 4.728 6.896 -5.052 988 H GLU 122 H GLU 122 -2.583 10.219 -4.661 989 HA GLU 122 HA GLU 122 -4.611 8.306 -4.422 990 1HB GLU 122 2HB GLU 122 -4.486 11.250 -4.727 991 2HB GLU 122 1HB GLU 122 -6.019 10.490 -5.134 992 1HG GLU 122 2HG GLU 122 -5.923 9.365 -2.882 993 2HG GLU 122 1HG GLU 122 -4.571 10.433 -2.505 994 H GLN 123 H GLN 123 -3.073 9.542 -7.215 995 HA GLN 123 HA GLN 123 -5.272 9.086 -9.014 996 1HB GLN 123 2HB GLN 123 -3.667 9.602 -10.787 997 2HB GLN 123 1HB GLN 123 -3.615 10.810 -9.511 998 1HG GLN 123 2HG GLN 123 -1.655 9.414 -8.583 999 2HG GLN 123 1HG GLN 123 -1.609 8.704 -10.197 1000 1HE2 GLN 123 1HE2 GLN 123 -0.463 11.148 -8.276 1001 2HE2 GLN 123 2HE2 GLN 123 0.113 12.219 -9.504 1002 H LEU 124 H LEU 124 -2.141 7.467 -8.425 1003 HA LEU 124 HA LEU 124 -2.688 5.334 -10.225 1004 1HB LEU 124 2HB LEU 124 -0.739 4.236 -9.171 1005 2HB LEU 124 1HB LEU 124 -0.409 5.871 -9.709 1006 HG LEU 124 HG LEU 124 -1.040 6.395 -7.158 1007 1HD1 LEU 124 1HD1 LEU 124 0.285 3.699 -6.999 1008 2HD1 LEU 124 2HD1 LEU 124 -1.438 3.962 -6.730 1009 3HD1 LEU 124 3HD1 LEU 124 -0.253 4.718 -5.664 1010 1HD2 LEU 124 1HD2 LEU 124 1.509 5.722 -8.526 1011 2HD2 LEU 124 2HD2 LEU 124 1.538 5.948 -6.777 1012 3HD2 LEU 124 3HD2 LEU 124 0.968 7.247 -7.824 1013 H LEU 125 H LEU 125 -3.230 5.839 -6.799 1014 HA LEU 125 HA LEU 125 -3.855 3.143 -6.161 1015 1HB LEU 125 2HB LEU 125 -4.782 5.657 -4.770 1016 2HB LEU 125 1HB LEU 125 -4.774 4.039 -4.096 1017 HG LEU 125 HG LEU 125 -2.176 5.146 -5.025 1018 1HD1 LEU 125 1HD1 LEU 125 -1.817 6.459 -3.100 1019 2HD1 LEU 125 2HD1 LEU 125 -3.315 5.908 -2.351 1020 3HD1 LEU 125 3HD1 LEU 125 -3.371 6.974 -3.755 1021 1HD2 LEU 125 1HD2 LEU 125 -1.539 3.986 -2.818 1022 2HD2 LEU 125 2HD2 LEU 125 -2.013 2.982 -4.188 1023 3HD2 LEU 125 3HD2 LEU 125 -3.161 3.295 -2.886 1024 H ARG 126 H ARG 126 -5.912 5.986 -6.775 1025 HA ARG 126 HA ARG 126 -8.371 4.652 -6.592 1026 1HB ARG 126 2HB ARG 126 -8.047 7.127 -6.550 1027 2HB ARG 126 1HB ARG 126 -7.738 7.077 -8.279 1028 1HG ARG 126 2HG ARG 126 -9.906 7.254 -8.666 1029 2HG ARG 126 1HG ARG 126 -10.175 5.723 -7.831 1030 1HD ARG 126 2HD ARG 126 -11.305 6.842 -6.282 1031 2HD ARG 126 1HD ARG 126 -9.796 7.618 -5.808 1032 HE ARG 126 HE ARG 126 -11.948 8.776 -7.350 1033 1HH1 ARG 126 1HH1 ARG 126 -8.588 9.018 -6.425 1034 2HH1 ARG 126 2HH1 ARG 126 -8.487 10.709 -6.776 1035 1HH2 ARG 126 1HH2 ARG 126 -11.811 10.999 -7.811 1036 2HH2 ARG 126 2HH2 ARG 126 -10.313 11.835 -7.564 1037 H LYS 127 H LYS 127 -6.060 4.894 -9.188 1038 HA LYS 127 HA LYS 127 -7.826 4.054 -11.268 1039 1HB LYS 127 2HB LYS 127 -5.125 4.932 -11.054 1040 2HB LYS 127 1HB LYS 127 -5.124 3.392 -11.903 1041 1HG LYS 127 2HG LYS 127 -5.496 4.640 -13.716 1042 2HG LYS 127 1HG LYS 127 -7.166 4.676 -13.146 1043 1HD LYS 127 2HD LYS 127 -5.371 6.704 -11.982 1044 2HD LYS 127 1HD LYS 127 -5.713 6.884 -13.704 1045 1HE LYS 127 2HE LYS 127 -7.960 7.237 -13.358 1046 2HE LYS 127 1HE LYS 127 -7.969 6.368 -11.825 1047 1HZ LYS 127 1HZ LYS 127 -7.023 9.117 -12.370 1048 2HZ LYS 127 2HZ LYS 127 -6.557 8.281 -10.976 1049 3HZ LYS 127 3HZ LYS 127 -8.192 8.607 -11.258 1050 H SER 128 H SER 128 -5.277 2.394 -9.420 1051 HA SER 128 HA SER 128 -5.586 -0.131 -10.574 1052 1HB SER 128 2HB SER 128 -3.653 0.425 -9.192 1053 2HB SER 128 1HB SER 128 -4.688 0.594 -7.774 1054 HG SER 128 HG SER 128 -3.497 -1.510 -8.242 1055 H GLU 129 H GLU 129 -7.169 1.322 -7.761 1056 HA GLU 129 HA GLU 129 -8.602 -0.952 -6.940 1057 1HB GLU 129 2HB GLU 129 -8.290 1.108 -5.581 1058 2HB GLU 129 1HB GLU 129 -9.417 1.943 -6.641 1059 1HG GLU 129 2HG GLU 129 -10.860 -0.249 -5.909 1060 2HG GLU 129 1HG GLU 129 -9.920 0.074 -4.453 1061 H ALA 130 H ALA 130 -9.510 1.728 -9.083 1062 HA ALA 130 HA ALA 130 -12.132 1.046 -9.610 1063 1HB ALA 130 1HB ALA 130 -11.657 2.125 -11.898 1064 2HB ALA 130 2HB ALA 130 -10.038 2.411 -11.262 1065 3HB ALA 130 3HB ALA 130 -11.440 3.104 -10.447 1066 H GLN 131 H GLN 131 -9.215 -0.042 -11.339 1067 HA GLN 131 HA GLN 131 -10.540 -1.658 -13.217 1068 1HB GLN 131 2HB GLN 131 -7.762 -2.106 -12.121 1069 2HB GLN 131 1HB GLN 131 -8.387 -2.631 -13.679 1070 1HG GLN 131 2HG GLN 131 -8.567 0.252 -13.228 1071 2HG GLN 131 1HG GLN 131 -6.922 -0.381 -13.245 1072 1HE2 GLN 131 1HE2 GLN 131 -9.773 0.242 -15.087 1073 2HE2 GLN 131 2HE2 GLN 131 -9.111 -0.128 -16.639 1074 H ALA 132 H ALA 132 -9.073 -2.466 -10.080 1075 HA ALA 132 HA ALA 132 -9.679 -5.226 -10.181 1076 1HB ALA 132 1HB ALA 132 -7.971 -4.302 -8.692 1077 2HB ALA 132 2HB ALA 132 -9.168 -5.237 -7.795 1078 3HB ALA 132 3HB ALA 132 -9.224 -3.475 -7.766 1079 H LYS 133 H LYS 133 -11.407 -2.429 -8.927 1080 HA LYS 133 HA LYS 133 -13.529 -3.956 -7.753 1081 1HB LYS 133 2HB LYS 133 -12.648 -1.439 -7.376 1082 2HB LYS 133 1HB LYS 133 -13.978 -1.117 -8.480 1083 1HG LYS 133 2HG LYS 133 -14.187 -2.600 -5.869 1084 2HG LYS 133 1HG LYS 133 -14.660 -0.923 -6.148 1085 1HD LYS 133 2HD LYS 133 -16.694 -1.786 -6.554 1086 2HD LYS 133 1HD LYS 133 -16.017 -2.208 -8.129 1087 1HE LYS 133 2HE LYS 133 -15.504 -4.424 -7.392 1088 2HE LYS 133 1HE LYS 133 -15.919 -4.021 -5.725 1089 1HZ LYS 133 1HZ LYS 133 -17.802 -4.126 -8.021 1090 2HZ LYS 133 2HZ LYS 133 -18.217 -3.674 -6.444 1091 3HZ LYS 133 3HZ LYS 133 -17.697 -5.251 -6.761 1092 H LYS 134 H LYS 134 -12.932 -2.380 -10.810 1093 HA LYS 134 HA LYS 134 -15.620 -2.658 -11.779 1094 1HB LYS 134 2HB LYS 134 -14.373 -0.833 -12.640 1095 2HB LYS 134 1HB LYS 134 -13.002 -1.855 -13.035 1096 1HG LYS 134 2HG LYS 134 -15.209 -2.842 -14.490 1097 2HG LYS 134 1HG LYS 134 -15.202 -1.088 -14.670 1098 1HD LYS 134 2HD LYS 134 -12.566 -1.650 -14.976 1099 2HD LYS 134 1HD LYS 134 -13.301 -3.100 -15.664 1100 1HE LYS 134 2HE LYS 134 -14.194 -1.978 -17.421 1101 2HE LYS 134 1HE LYS 134 -14.476 -0.513 -16.480 1102 1HZ LYS 134 1HZ LYS 134 -12.134 -1.317 -18.009 1103 2HZ LYS 134 2HZ LYS 134 -11.829 -0.524 -16.547 1104 3HZ LYS 134 3HZ LYS 134 -12.772 0.226 -17.735 1105 H GLU 135 H GLU 135 -12.681 -4.532 -11.864 1106 HA GLU 135 HA GLU 135 -13.850 -6.409 -13.783 1107 1HB GLU 135 2HB GLU 135 -11.067 -6.057 -12.688 1108 2HB GLU 135 1HB GLU 135 -11.536 -7.486 -13.599 1109 1HG GLU 135 2HG GLU 135 -11.491 -6.409 -15.557 1110 2HG GLU 135 1HG GLU 135 -12.227 -4.953 -14.890 1111 H LYS 136 H LYS 136 -13.263 -6.029 -10.415 1112 HA LYS 136 HA LYS 136 -13.682 -7.351 -8.615 1113 1HB LYS 136 2HB LYS 136 -15.183 -9.074 -10.595 1114 2HB LYS 136 1HB LYS 136 -15.340 -9.132 -8.845 1115 1HG LYS 136 2HG LYS 136 -15.799 -6.481 -9.982 1116 2HG LYS 136 1HG LYS 136 -16.940 -7.709 -10.531 1117 1HD LYS 136 2HD LYS 136 -16.844 -8.241 -7.872 1118 2HD LYS 136 1HD LYS 136 -16.597 -6.494 -7.875 1119 1HE LYS 136 2HE LYS 136 -18.654 -6.085 -8.894 1120 2HE LYS 136 1HE LYS 136 -18.799 -7.742 -9.479 1121 1HZ LYS 136 1HZ LYS 136 -19.117 -8.475 -7.194 1122 2HZ LYS 136 2HZ LYS 136 -20.288 -7.334 -7.629 1123 3HZ LYS 136 3HZ LYS 136 -18.991 -6.880 -6.642 1124 H LEU 137 H LEU 137 -11.294 -7.732 -8.916 1125 HA LEU 137 HA LEU 137 -10.432 -10.236 -9.990 1126 1HB LEU 137 2HB LEU 137 -9.067 -8.199 -8.238 1127 2HB LEU 137 1HB LEU 137 -8.274 -9.649 -8.819 1128 HG LEU 137 HG LEU 137 -9.507 -7.679 -10.724 1129 1HD1 LEU 137 1HD1 LEU 137 -6.877 -7.540 -9.312 1130 2HD1 LEU 137 2HD1 LEU 137 -8.033 -6.254 -9.656 1131 3HD1 LEU 137 3HD1 LEU 137 -7.042 -6.918 -10.954 1132 1HD2 LEU 137 1HD2 LEU 137 -7.083 -9.261 -11.327 1133 2HD2 LEU 137 2HD2 LEU 137 -8.453 -8.843 -12.356 1134 3HD2 LEU 137 3HD2 LEU 137 -8.598 -10.151 -11.182 1135 H ASN 138 H ASN 138 -9.874 -9.114 -6.664 1136 HA ASN 138 HA ASN 138 -10.835 -11.721 -5.697 1137 1HB ASN 138 2HB ASN 138 -8.172 -10.476 -5.362 1138 2HB ASN 138 1HB ASN 138 -8.869 -11.191 -3.910 1139 1HD2 ASN 138 1HD2 ASN 138 -6.675 -12.345 -4.623 1140 2HD2 ASN 138 2HD2 ASN 138 -6.933 -13.846 -5.437 1141 H ILE 139 H ILE 139 -9.383 -8.985 -3.972 1142 HA ILE 139 HA ILE 139 -11.096 -8.973 -1.823 1143 HB ILE 139 HB ILE 139 -10.513 -6.523 -1.578 1144 1HG1 ILE 139 2HG1 ILE 139 -8.895 -7.114 -4.068 1145 2HG1 ILE 139 1HG1 ILE 139 -10.250 -5.997 -3.958 1146 1HG2 ILE 139 1HG2 ILE 139 -9.202 -8.181 -0.467 1147 2HG2 ILE 139 2HG2 ILE 139 -8.099 -7.003 -1.175 1148 3HG2 ILE 139 3HG2 ILE 139 -8.336 -8.568 -1.952 1149 1HD1 ILE 139 1HD1 ILE 139 -7.532 -5.456 -3.569 1150 2HD1 ILE 139 2HD1 ILE 139 -8.295 -5.329 -1.983 1151 3HD1 ILE 139 3HD1 ILE 139 -8.898 -4.366 -3.332 1152 H TRP 140 H TRP 140 -11.483 -7.289 -4.906 1153 HA TRP 140 HA TRP 140 -14.069 -6.241 -4.040 1154 1HB TRP 140 2HB TRP 140 -12.589 -5.784 -6.638 1155 2HB TRP 140 1HB TRP 140 -14.030 -4.930 -6.096 1156 HD1 TRP 140 HD TRP 140 -10.672 -4.096 -6.537 1157 HE1 TRP 140 1HE TRP 140 -9.776 -2.426 -4.795 1158 HE3 TRP 140 3HE TRP 140 -14.299 -4.616 -2.970 1159 HZ2 TRP 140 2HZ TRP 140 -10.509 -1.457 -2.248 1160 HZ3 TRP 140 3HZ TRP 140 -14.127 -3.282 -0.910 1161 HH2 TRP 140 HH TRP 140 -12.271 -1.734 -0.558 1162 H SER 141 H SER 141 -13.994 -9.006 -4.257 1163 HA SER 141 HA SER 141 -15.730 -9.443 -6.596 1164 1HB SER 141 2HB SER 141 -14.211 -11.761 -5.517 1165 2HB SER 141 1HB SER 141 -14.679 -11.393 -7.177 1166 HG SER 141 HG SER 141 -13.040 -9.707 -7.084 1167 H GLU 142 H GLU 142 -16.408 -8.702 -3.858 1168 HA GLU 142 HA GLU 142 -18.439 -10.671 -3.403 1169 1HB GLU 142 2HB GLU 142 -17.739 -11.056 -0.999 1170 2HB GLU 142 1HB GLU 142 -16.773 -11.868 -2.224 1171 1HG GLU 142 2HG GLU 142 -15.017 -11.037 -1.143 1172 2HG GLU 142 1HG GLU 142 -15.439 -9.506 -1.909 1173 H ASP 143 H ASP 143 -18.237 -7.840 -3.961 1174 HA ASP 143 HA ASP 143 -19.035 -6.515 -1.500 1175 1HB ASP 143 2HB ASP 143 -17.589 -5.519 -3.429 1176 2HB ASP 143 1HB ASP 143 -19.139 -5.237 -4.214 1177 H ASN 144 H ASN 144 -20.449 -7.090 -4.722 1178 HA ASN 144 HA ASN 144 -23.084 -6.376 -3.720 1179 1HB ASN 144 2HB ASN 144 -22.058 -5.801 -6.061 1180 2HB ASN 144 1HB ASN 144 -22.584 -7.428 -6.482 1181 1HD2 ASN 144 1HD2 ASN 144 -23.450 -4.272 -6.509 1182 2HD2 ASN 144 2HD2 ASN 144 -25.168 -4.439 -6.581 1183 H ALA 145 H ALA 145 -24.113 -7.891 -2.589 1184 HA ALA 145 HA ALA 145 -24.674 -10.442 -3.811 1185 1HB ALA 145 1HB ALA 145 -23.495 -11.841 -2.488 1186 2HB ALA 145 2HB ALA 145 -23.628 -10.794 -1.076 1187 3HB ALA 145 3HB ALA 145 -22.432 -10.444 -2.323 1188 H ASP 146 H ASP 146 -24.847 -8.518 -0.831 1189 HA ASP 146 HA ASP 146 -27.722 -8.952 -0.746 1190 1HB ASP 146 2HB ASP 146 -27.561 -9.495 1.734 1191 2HB ASP 146 1HB ASP 146 -27.063 -10.772 0.629 1192 H SER 147 H SER 147 -28.794 -7.531 0.838 1193 HA SER 147 HA SER 147 -27.787 -4.891 0.672 1194 1HB SER 147 2HB SER 147 -29.766 -4.225 1.839 1195 2HB SER 147 1HB SER 147 -30.225 -5.563 0.787 1196 HG SER 147 HG SER 147 -29.864 -6.916 2.712 1197 H GLY 148 H GLY 148 -27.470 -3.438 2.550 1198 1HA GLY 148 2HA GLY 148 -26.111 -4.862 4.756 1199 2HA GLY 148 1HA GLY 148 -25.498 -3.372 4.056 1200 H GLN 149 H GLN 149 -25.560 -2.820 6.428 1201 HA GLN 149 HA GLN 149 -26.433 -1.587 8.128 1202 1HB GLN 149 2HB GLN 149 -28.067 -0.772 5.777 1203 2HB GLN 149 1HB GLN 149 -28.639 -0.292 7.370 1204 1HG GLN 149 2HG GLN 149 -26.897 1.132 7.724 1205 2HG GLN 149 1HG GLN 149 -25.793 0.216 6.699 1206 1HE2 GLN 149 1HE2 GLN 149 -25.106 1.759 5.340 1207 2HE2 GLN 149 2HE2 GLN 149 -26.129 2.675 4.290 Start of MODEL 4 1 1H ALA 1 1HT ALA 1 1.488 15.951 -11.101 2 2H ALA 1 2HT ALA 1 0.544 16.762 -12.283 3 3H ALA 1 3HT ALA 1 0.101 16.839 -10.627 4 HA ALA 1 HA ALA 1 1.073 18.854 -11.105 5 1HB ALA 1 1HB ALA 1 1.853 18.295 -9.020 6 2HB ALA 1 2HB ALA 1 3.369 18.551 -9.884 7 3HB ALA 1 3HB ALA 1 2.773 16.913 -9.614 8 H THR 2 H THR 2 1.889 19.918 -12.772 9 HA THR 2 HA THR 2 3.934 18.616 -14.428 10 HB THR 2 HB THR 2 3.267 20.600 -16.003 11 HG1 THR 2 1HG THR 2 1.877 21.804 -14.940 12 1HG2 THR 2 1HG2 THR 2 1.175 19.313 -16.729 13 2HG2 THR 2 2HG2 THR 2 1.625 18.157 -15.475 14 3HG2 THR 2 3HG2 THR 2 2.734 18.491 -16.807 15 H SER 3 H SER 3 4.537 19.921 -11.900 16 HA SER 3 HA SER 3 6.083 22.250 -12.817 17 1HB SER 3 2HB SER 3 4.392 22.151 -10.716 18 2HB SER 3 1HB SER 3 5.887 21.669 -9.915 19 HG SER 3 HG SER 3 5.521 23.965 -9.951 20 H THR 4 H THR 4 6.473 19.784 -10.269 21 HA THR 4 HA THR 4 9.198 19.300 -11.267 22 HB THR 4 HB THR 4 9.812 18.991 -8.788 23 HG1 THR 4 1HG THR 4 7.838 19.081 -7.819 24 1HG2 THR 4 1HG2 THR 4 10.562 21.151 -8.563 25 2HG2 THR 4 2HG2 THR 4 9.139 21.839 -9.347 26 3HG2 THR 4 3HG2 THR 4 10.361 21.008 -10.310 27 H LYS 5 H LYS 5 10.112 17.292 -9.962 28 HA LYS 5 HA LYS 5 8.061 15.277 -9.505 29 1HB LYS 5 2HB LYS 5 8.653 15.258 -11.962 30 2HB LYS 5 1HB LYS 5 10.277 14.774 -11.492 31 1HG LYS 5 2HG LYS 5 8.034 13.165 -10.429 32 2HG LYS 5 1HG LYS 5 8.387 13.028 -12.153 33 1HD LYS 5 2HD LYS 5 10.555 12.799 -10.091 34 2HD LYS 5 1HD LYS 5 9.565 11.409 -10.539 35 1HE LYS 5 2HE LYS 5 11.162 11.103 -12.099 36 2HE LYS 5 1HE LYS 5 10.245 12.323 -12.982 37 1HZ LYS 5 1HZ LYS 5 12.343 13.195 -11.124 38 2HZ LYS 5 2HZ LYS 5 11.787 13.934 -12.541 39 3HZ LYS 5 3HZ LYS 5 12.798 12.581 -12.634 40 H LYS 6 H LYS 6 8.596 14.595 -7.536 41 HA LYS 6 HA LYS 6 11.258 13.504 -7.107 42 1HB LYS 6 2HB LYS 6 10.191 15.910 -5.731 43 2HB LYS 6 1HB LYS 6 11.040 14.736 -4.734 44 1HG LYS 6 2HG LYS 6 12.980 14.901 -6.251 45 2HG LYS 6 1HG LYS 6 12.127 16.150 -7.161 46 1HD LYS 6 2HD LYS 6 13.492 17.363 -5.712 47 2HD LYS 6 1HD LYS 6 11.927 17.362 -4.898 48 1HE LYS 6 2HE LYS 6 12.667 16.076 -3.196 49 2HE LYS 6 1HE LYS 6 13.707 15.110 -4.242 50 1HZ LYS 6 1HZ LYS 6 15.146 16.305 -2.862 51 2HZ LYS 6 2HZ LYS 6 14.277 17.746 -3.029 52 3HZ LYS 6 3HZ LYS 6 15.180 17.148 -4.329 53 H LEU 7 H LEU 7 9.840 11.600 -7.263 54 HA LEU 7 HA LEU 7 8.669 10.976 -4.638 55 1HB LEU 7 2HB LEU 7 7.530 10.065 -7.279 56 2HB LEU 7 1HB LEU 7 6.870 9.750 -5.686 57 HG LEU 7 HG LEU 7 7.181 12.593 -6.493 58 1HD1 LEU 7 1HD1 LEU 7 5.063 10.756 -7.596 59 2HD1 LEU 7 2HD1 LEU 7 6.259 11.673 -8.513 60 3HD1 LEU 7 3HD1 LEU 7 4.984 12.518 -7.634 61 1HD2 LEU 7 1HD2 LEU 7 4.712 11.511 -5.300 62 2HD2 LEU 7 2HD2 LEU 7 5.630 12.961 -4.896 63 3HD2 LEU 7 3HD2 LEU 7 6.169 11.386 -4.314 64 H HIS 8 H HIS 8 10.762 10.010 -4.239 65 HA HIS 8 HA HIS 8 11.069 7.397 -5.567 66 1HB HIS 8 2HB HIS 8 12.894 9.190 -5.923 67 2HB HIS 8 1HB HIS 8 13.339 8.871 -4.250 68 HD1 HIS 8 1HD HIS 8 14.936 8.198 -7.026 69 HD2 HIS 8 2HD HIS 8 13.046 5.557 -4.434 70 HE1 HIS 8 1HE HIS 8 16.035 5.970 -7.419 71 HE2 HIS 8 2HE HIS 8 14.936 4.408 -5.776 72 H LYS 9 H LYS 9 10.804 5.689 -4.301 73 HA LYS 9 HA LYS 9 10.241 5.930 -1.538 74 1HB LYS 9 2HB LYS 9 10.214 3.450 -1.556 75 2HB LYS 9 1HB LYS 9 9.238 4.156 -2.837 76 1HG LYS 9 2HG LYS 9 12.011 3.555 -3.586 77 2HG LYS 9 1HG LYS 9 11.021 2.151 -3.184 78 1HD LYS 9 2HD LYS 9 9.738 2.375 -5.024 79 2HD LYS 9 1HD LYS 9 9.717 4.136 -4.917 80 1HE LYS 9 2HE LYS 9 12.307 3.694 -5.574 81 2HE LYS 9 1HE LYS 9 11.523 2.348 -6.399 82 1HZ LYS 9 1HZ LYS 9 11.333 3.931 -7.991 83 2HZ LYS 9 2HZ LYS 9 11.296 5.217 -6.894 84 3HZ LYS 9 3HZ LYS 9 9.911 4.277 -7.142 85 H GLU 10 H GLU 10 11.388 4.849 0.218 86 HA GLU 10 HA GLU 10 14.012 3.903 0.033 87 1HB GLU 10 2HB GLU 10 14.173 6.475 -0.532 88 2HB GLU 10 1HB GLU 10 14.070 6.648 1.215 89 1HG GLU 10 2HG GLU 10 15.973 4.715 0.954 90 2HG GLU 10 1HG GLU 10 16.276 5.724 -0.461 91 H ALA 11 H ALA 11 14.450 2.833 1.861 92 HA ALA 11 HA ALA 11 13.398 3.776 4.401 93 1HB ALA 11 1HB ALA 11 11.555 2.443 3.689 94 2HB ALA 11 2HB ALA 11 12.426 1.528 4.919 95 3HB ALA 11 3HB ALA 11 12.619 1.119 3.216 96 H ALA 12 H ALA 12 14.367 0.446 3.783 97 HA ALA 12 HA ALA 12 17.077 0.499 4.070 98 1HB ALA 12 1HB ALA 12 15.874 1.427 6.488 99 2HB ALA 12 2HB ALA 12 17.583 1.233 6.103 100 3HB ALA 12 3HB ALA 12 16.679 -0.111 6.799 101 H THR 13 H THR 13 14.962 -1.140 6.413 102 HA THR 13 HA THR 13 14.904 -3.562 4.836 103 HB THR 13 HB THR 13 16.444 -3.463 7.437 104 HG1 THR 13 1HG THR 13 17.944 -3.016 6.022 105 1HG2 THR 13 1HG2 THR 13 15.358 -5.743 5.889 106 2HG2 THR 13 2HG2 THR 13 15.594 -5.558 7.627 107 3HG2 THR 13 3HG2 THR 13 16.972 -5.899 6.581 108 H LEU 14 H LEU 14 13.272 -4.931 5.443 109 HA LEU 14 HA LEU 14 11.369 -3.846 7.332 110 1HB LEU 14 2HB LEU 14 9.793 -5.047 6.241 111 2HB LEU 14 1HB LEU 14 11.004 -5.031 4.977 112 HG LEU 14 HG LEU 14 11.672 -7.304 6.369 113 1HD1 LEU 14 1HD1 LEU 14 9.769 -7.290 7.792 114 2HD1 LEU 14 2HD1 LEU 14 9.495 -8.530 6.567 115 3HD1 LEU 14 3HD1 LEU 14 8.681 -6.971 6.440 116 1HD2 LEU 14 1HD2 LEU 14 11.669 -7.764 4.184 117 2HD2 LEU 14 2HD2 LEU 14 10.364 -6.628 3.847 118 3HD2 LEU 14 3HD2 LEU 14 9.993 -8.248 4.434 119 H ILE 15 H ILE 15 10.575 -4.883 9.158 120 HA ILE 15 HA ILE 15 12.423 -6.815 10.346 121 HB ILE 15 HB ILE 15 10.307 -5.033 11.550 122 1HG1 ILE 15 2HG1 ILE 15 12.495 -4.503 12.953 123 2HG1 ILE 15 1HG1 ILE 15 13.291 -5.133 11.514 124 1HG2 ILE 15 1HG2 ILE 15 9.985 -6.766 12.980 125 2HG2 ILE 15 2HG2 ILE 15 11.430 -6.087 13.729 126 3HG2 ILE 15 3HG2 ILE 15 11.565 -7.476 12.651 127 1HD1 ILE 15 1HD1 ILE 15 12.807 -3.318 10.302 128 2HD1 ILE 15 2HD1 ILE 15 12.602 -2.553 11.879 129 3HD1 ILE 15 3HD1 ILE 15 11.195 -3.150 10.998 130 H LYS 16 H LYS 16 8.914 -6.294 9.956 131 HA LYS 16 HA LYS 16 8.358 -8.913 9.148 132 1HB LYS 16 2HB LYS 16 9.010 -8.997 11.766 133 2HB LYS 16 1HB LYS 16 7.284 -8.690 11.897 134 1HG LYS 16 2HG LYS 16 8.147 -10.836 10.048 135 2HG LYS 16 1HG LYS 16 8.292 -11.138 11.781 136 1HD LYS 16 2HD LYS 16 6.026 -11.076 12.119 137 2HD LYS 16 1HD LYS 16 5.743 -9.998 10.749 138 1HE LYS 16 2HE LYS 16 4.856 -12.066 10.085 139 2HE LYS 16 1HE LYS 16 6.419 -11.958 9.273 140 1HZ LYS 16 1HZ LYS 16 5.588 -13.692 11.485 141 2HZ LYS 16 2HZ LYS 16 7.207 -13.207 11.415 142 3HZ LYS 16 3HZ LYS 16 6.521 -14.056 10.122 143 H ALA 17 H ALA 17 6.373 -8.966 8.257 144 HA ALA 17 HA ALA 17 4.719 -6.616 8.457 145 1HB ALA 17 1HB ALA 17 5.144 -7.908 6.326 146 2HB ALA 17 2HB ALA 17 3.461 -7.497 6.663 147 3HB ALA 17 3HB ALA 17 4.048 -9.135 6.961 148 H ILE 18 H ILE 18 2.755 -6.422 9.472 149 HA ILE 18 HA ILE 18 1.944 -8.724 11.119 150 HB ILE 18 HB ILE 18 2.690 -6.761 12.401 151 1HG1 ILE 18 2HG1 ILE 18 0.253 -6.466 13.545 152 2HG1 ILE 18 1HG1 ILE 18 -0.027 -7.917 12.590 153 1HG2 ILE 18 1HG2 ILE 18 1.019 -4.809 12.449 154 2HG2 ILE 18 2HG2 ILE 18 0.511 -5.400 10.869 155 3HG2 ILE 18 3HG2 ILE 18 2.179 -4.892 11.125 156 1HD1 ILE 18 1HD1 ILE 18 2.474 -8.095 13.996 157 2HD1 ILE 18 2HD1 ILE 18 1.070 -9.162 14.051 158 3HD1 ILE 18 3HD1 ILE 18 1.145 -7.748 15.104 159 H ASP 19 H ASP 19 0.762 -6.245 8.912 160 HA ASP 19 HA ASP 19 -1.629 -7.833 8.479 161 1HB ASP 19 2HB ASP 19 -1.652 -5.186 9.839 162 2HB ASP 19 1HB ASP 19 -2.933 -5.516 8.677 163 H GLY 20 H GLY 20 0.306 -7.583 6.651 164 1HA GLY 20 2HA GLY 20 0.679 -7.016 4.460 165 2HA GLY 20 1HA GLY 20 -1.014 -6.557 4.402 166 H ASP 21 H ASP 21 -1.540 -4.372 5.262 167 HA ASP 21 HA ASP 21 0.234 -2.435 4.119 168 1HB ASP 21 2HB ASP 21 -1.508 -0.806 4.941 169 2HB ASP 21 1HB ASP 21 -2.119 -2.053 3.858 170 H THR 22 H THR 22 -0.327 -3.778 7.224 171 HA THR 22 HA THR 22 1.229 -1.652 8.504 172 HB THR 22 HB THR 22 -0.209 -3.831 9.988 173 HG1 THR 22 1HG THR 22 -1.311 -1.513 8.826 174 1HG2 THR 22 1HG2 THR 22 -0.416 -1.247 11.158 175 2HG2 THR 22 2HG2 THR 22 1.274 -1.578 10.780 176 3HG2 THR 22 3HG2 THR 22 0.361 -2.698 11.791 177 H VAL 23 H VAL 23 3.323 -2.089 8.533 178 HA VAL 23 HA VAL 23 4.209 -4.700 9.476 179 HB VAL 23 HB VAL 23 4.294 -5.190 7.191 180 1HG1 VAL 23 1HG1 VAL 23 5.239 -3.643 5.496 181 2HG1 VAL 23 2HG1 VAL 23 5.354 -2.407 6.750 182 3HG1 VAL 23 3HG1 VAL 23 3.776 -3.041 6.278 183 1HG2 VAL 23 1HG2 VAL 23 6.538 -5.596 6.759 184 2HG2 VAL 23 2HG2 VAL 23 6.509 -5.401 8.512 185 3HG2 VAL 23 3HG2 VAL 23 7.058 -4.075 7.487 186 H LYS 24 H LYS 24 6.255 -4.704 10.399 187 HA LYS 24 HA LYS 24 7.185 -2.103 11.272 188 1HB LYS 24 2HB LYS 24 7.766 -4.938 12.046 189 2HB LYS 24 1HB LYS 24 8.890 -3.669 12.511 190 1HG LYS 24 2HG LYS 24 6.583 -2.557 13.322 191 2HG LYS 24 1HG LYS 24 6.185 -4.267 13.508 192 1HD LYS 24 2HD LYS 24 7.150 -3.971 15.534 193 2HD LYS 24 1HD LYS 24 8.633 -4.244 14.616 194 1HE LYS 24 2HE LYS 24 9.297 -2.094 14.800 195 2HE LYS 24 1HE LYS 24 7.656 -1.467 14.662 196 1HZ LYS 24 1HZ LYS 24 8.521 -2.873 17.107 197 2HZ LYS 24 2HZ LYS 24 7.273 -1.748 16.912 198 3HZ LYS 24 3HZ LYS 24 8.884 -1.235 16.886 199 H LEU 25 H LEU 25 8.494 -1.006 9.981 200 HA LEU 25 HA LEU 25 10.559 -2.469 8.470 201 1HB LEU 25 2HB LEU 25 8.630 -0.794 7.498 202 2HB LEU 25 1HB LEU 25 9.982 0.304 7.691 203 HG LEU 25 HG LEU 25 10.396 -2.285 6.256 204 1HD1 LEU 25 1HD1 LEU 25 9.935 -0.630 4.201 205 2HD1 LEU 25 2HD1 LEU 25 8.755 -0.005 5.354 206 3HD1 LEU 25 3HD1 LEU 25 8.707 -1.702 4.876 207 1HD2 LEU 25 1HD2 LEU 25 11.873 -0.567 4.941 208 2HD2 LEU 25 2HD2 LEU 25 12.412 -1.209 6.492 209 3HD2 LEU 25 3HD2 LEU 25 11.690 0.397 6.406 210 H MET 26 H MET 26 12.639 -2.010 8.793 211 HA MET 26 HA MET 26 13.340 -0.221 10.946 212 1HB MET 26 2HB MET 26 14.513 -2.508 9.663 213 2HB MET 26 1HB MET 26 15.677 -1.191 9.679 214 1HG MET 26 2HG MET 26 14.763 -1.070 12.215 215 2HG MET 26 1HG MET 26 14.595 -2.795 11.889 216 1HE MET 26 1HE MET 26 15.901 -2.457 14.031 217 2HE MET 26 2HE MET 26 17.613 -2.049 14.150 218 3HE MET 26 3HE MET 26 17.126 -3.674 13.668 219 H TYR 27 H TYR 27 13.213 1.877 10.399 220 HA TYR 27 HA TYR 27 14.525 2.751 7.916 221 1HB TYR 27 2HB TYR 27 12.159 3.383 8.129 222 2HB TYR 27 1HB TYR 27 12.511 4.201 9.648 223 HD1 TYR 27 2HD TYR 27 13.971 6.240 9.623 224 HD2 TYR 27 1HD TYR 27 12.512 4.456 6.049 225 HE1 TYR 27 2HE TYR 27 14.456 8.315 8.398 226 HE2 TYR 27 1HE TYR 27 12.993 6.526 4.812 227 HH TYR 27 HH TYR 27 14.529 8.499 5.052 228 H LYS 28 H LYS 28 16.082 4.332 7.942 229 HA LYS 28 HA LYS 28 17.989 5.283 8.751 230 1HB LYS 28 2HB LYS 28 17.605 7.204 10.014 231 2HB LYS 28 1HB LYS 28 16.073 6.926 9.205 232 1HG LYS 28 2HG LYS 28 15.029 6.925 11.155 233 2HG LYS 28 1HG LYS 28 16.014 5.571 11.704 234 1HD LYS 28 2HD LYS 28 17.810 7.371 12.168 235 2HD LYS 28 1HD LYS 28 16.459 8.505 12.085 236 1HE LYS 28 2HE LYS 28 15.482 7.692 13.992 237 2HE LYS 28 1HE LYS 28 16.171 6.081 13.786 238 1HZ LYS 28 1HZ LYS 28 18.378 7.171 14.300 239 2HZ LYS 28 2HZ LYS 28 17.296 7.023 15.591 240 3HZ LYS 28 3HZ LYS 28 17.495 8.516 14.823 241 H GLY 29 H GLY 29 17.362 2.643 9.911 242 1HA GLY 29 2HA GLY 29 18.681 1.331 11.320 243 2HA GLY 29 1HA GLY 29 19.283 2.793 12.082 244 H GLN 30 H GLN 30 15.853 2.511 11.799 245 HA GLN 30 HA GLN 30 15.658 1.436 14.517 246 1HB GLN 30 2HB GLN 30 14.186 3.181 15.260 247 2HB GLN 30 1HB GLN 30 15.658 3.920 14.648 248 1HG GLN 30 2HG GLN 30 14.602 4.763 12.764 249 2HG GLN 30 1HG GLN 30 13.254 3.634 12.891 250 1HE2 GLN 30 1HE2 GLN 30 11.452 4.631 13.391 251 2HE2 GLN 30 2HE2 GLN 30 11.284 5.960 14.482 252 H ALA 31 H ALA 31 14.014 0.062 14.824 253 HA ALA 31 HA ALA 31 12.405 -0.678 12.553 254 1HB ALA 31 1HB ALA 31 13.374 -2.386 14.008 255 2HB ALA 31 2HB ALA 31 11.614 -2.500 13.965 256 3HB ALA 31 3HB ALA 31 12.417 -1.779 15.360 257 H MET 32 H MET 32 10.827 0.765 12.100 258 HA MET 32 HA MET 32 8.967 1.457 14.278 259 1HB MET 32 2HB MET 32 8.315 3.362 12.657 260 2HB MET 32 1HB MET 32 9.817 3.506 13.559 261 1HG MET 32 2HG MET 32 11.128 3.107 11.694 262 2HG MET 32 1HG MET 32 9.813 2.334 10.813 263 1HE MET 32 1HE MET 32 11.908 5.018 11.486 264 2HE MET 32 2HE MET 32 10.861 6.373 11.911 265 3HE MET 32 3HE MET 32 11.483 6.221 10.268 266 H THR 33 H THR 33 6.720 1.492 13.796 267 HA THR 33 HA THR 33 5.936 -0.608 11.990 268 HB THR 33 HB THR 33 4.166 1.202 13.640 269 HG1 THR 33 1HG THR 33 5.525 -1.181 14.312 270 1HG2 THR 33 1HG2 THR 33 3.678 -1.593 12.644 271 2HG2 THR 33 2HG2 THR 33 2.977 -0.128 11.956 272 3HG2 THR 33 3HG2 THR 33 2.577 -0.605 13.605 273 H PHE 34 H PHE 34 5.665 -0.247 9.896 274 HA PHE 34 HA PHE 34 4.875 2.413 8.975 275 1HB PHE 34 2HB PHE 34 6.239 0.074 7.733 276 2HB PHE 34 1HB PHE 34 5.302 1.127 6.680 277 HD1 PHE 34 1HD PHE 34 8.171 0.962 8.977 278 HD2 PHE 34 2HD PHE 34 6.067 3.305 6.114 279 HE1 PHE 34 1HE PHE 34 10.064 2.529 8.873 280 HE2 PHE 34 2HE PHE 34 7.956 4.877 6.006 281 HZ PHE 34 HZ PHE 34 9.958 4.490 7.387 282 H ARG 35 H ARG 35 3.067 2.786 7.703 283 HA ARG 35 HA ARG 35 1.178 0.549 7.429 284 1HB ARG 35 2HB ARG 35 0.884 2.937 9.027 285 2HB ARG 35 1HB ARG 35 -0.373 2.857 7.799 286 1HG ARG 35 2HG ARG 35 -0.018 0.294 9.063 287 2HG ARG 35 1HG ARG 35 -0.324 1.554 10.260 288 1HD ARG 35 2HD ARG 35 -2.048 1.782 7.929 289 2HD ARG 35 1HD ARG 35 -2.224 0.234 8.750 290 HE ARG 35 HE ARG 35 -3.017 2.821 9.729 291 1HH1 ARG 35 1HH1 ARG 35 -2.165 -0.447 10.614 292 2HH1 ARG 35 2HH1 ARG 35 -3.018 -0.393 12.120 293 1HH2 ARG 35 1HH2 ARG 35 -4.136 2.892 11.711 294 2HH2 ARG 35 2HH2 ARG 35 -4.136 1.502 12.743 295 H LEU 36 H LEU 36 0.559 0.276 5.396 296 HA LEU 36 HA LEU 36 1.336 1.880 3.263 297 1HB LEU 36 2HB LEU 36 0.007 -0.542 3.610 298 2HB LEU 36 1HB LEU 36 -1.132 0.453 2.727 299 HG LEU 36 HG LEU 36 1.672 -0.272 1.883 300 1HD1 LEU 36 1HD1 LEU 36 0.764 -1.769 0.459 301 2HD1 LEU 36 2HD1 LEU 36 -0.691 -0.808 0.197 302 3HD1 LEU 36 3HD1 LEU 36 -0.529 -1.782 1.658 303 1HD2 LEU 36 1HD2 LEU 36 0.050 1.057 -0.109 304 2HD2 LEU 36 2HD2 LEU 36 1.697 1.398 0.414 305 3HD2 LEU 36 3HD2 LEU 36 0.334 2.089 1.293 306 H LEU 37 H LEU 37 0.741 3.876 2.773 307 HA LEU 37 HA LEU 37 -1.621 5.072 3.861 308 1HB LEU 37 2HB LEU 37 0.727 5.948 2.318 309 2HB LEU 37 1HB LEU 37 -0.738 6.857 2.001 310 HG LEU 37 HG LEU 37 0.475 6.454 4.736 311 1HD1 LEU 37 1HD1 LEU 37 1.616 7.948 2.867 312 2HD1 LEU 37 2HD1 LEU 37 1.543 8.454 4.554 313 3HD1 LEU 37 3HD1 LEU 37 0.384 9.095 3.390 314 1HD2 LEU 37 1HD2 LEU 37 -1.844 6.782 5.001 315 2HD2 LEU 37 2HD2 LEU 37 -1.895 8.009 3.735 316 3HD2 LEU 37 3HD2 LEU 37 -1.106 8.361 5.272 317 H LEU 38 H LEU 38 -3.533 5.504 2.917 318 HA LEU 38 HA LEU 38 -5.271 5.380 1.459 319 1HB LEU 38 2HB LEU 38 -2.956 5.852 -0.382 320 2HB LEU 38 1HB LEU 38 -4.562 5.585 -1.032 321 HG LEU 38 HG LEU 38 -3.756 7.809 0.843 322 1HD1 LEU 38 1HD1 LEU 38 -3.123 7.766 -1.705 323 2HD1 LEU 38 2HD1 LEU 38 -3.740 9.234 -0.948 324 3HD1 LEU 38 3HD1 LEU 38 -4.814 8.218 -1.909 325 1HD2 LEU 38 1HD2 LEU 38 -5.997 7.238 1.360 326 2HD2 LEU 38 2HD2 LEU 38 -6.415 7.047 -0.343 327 3HD2 LEU 38 3HD2 LEU 38 -6.069 8.650 0.306 328 H VAL 39 H VAL 39 -3.788 2.903 2.271 329 HA VAL 39 HA VAL 39 -5.033 1.141 0.293 330 HB VAL 39 HB VAL 39 -2.279 0.534 1.345 331 1HG1 VAL 39 1HG1 VAL 39 -2.559 -0.812 -0.983 332 2HG1 VAL 39 2HG1 VAL 39 -4.225 -0.797 -0.404 333 3HG1 VAL 39 3HG1 VAL 39 -2.948 -1.478 0.604 334 1HG2 VAL 39 1HG2 VAL 39 -3.081 2.241 -0.918 335 2HG2 VAL 39 2HG2 VAL 39 -1.831 1.046 -1.258 336 3HG2 VAL 39 3HG2 VAL 39 -1.592 2.229 0.028 337 H ASP 40 H ASP 40 -5.841 -0.760 1.134 338 HA ASP 40 HA ASP 40 -5.457 -1.200 4.019 339 1HB ASP 40 2HB ASP 40 -7.777 -0.218 2.963 340 2HB ASP 40 1HB ASP 40 -8.097 -1.949 2.948 341 H THR 41 H THR 41 -4.362 -3.040 4.165 342 HA THR 41 HA THR 41 -5.079 -5.256 2.368 343 HB THR 41 HB THR 41 -2.634 -5.464 4.020 344 HG1 THR 41 1HG THR 41 -2.885 -3.581 1.919 345 1HG2 THR 41 1HG2 THR 41 -3.621 -6.472 1.506 346 2HG2 THR 41 2HG2 THR 41 -2.311 -7.064 2.527 347 3HG2 THR 41 3HG2 THR 41 -2.002 -5.790 1.347 348 H ALA 42 H ALA 42 -6.846 -6.002 3.545 349 HA ALA 42 HA ALA 42 -7.804 -7.535 4.951 350 1HB ALA 42 1HB ALA 42 -6.542 -9.003 6.194 351 2HB ALA 42 2HB ALA 42 -5.347 -7.780 6.626 352 3HB ALA 42 3HB ALA 42 -5.359 -8.465 5.001 353 H GLU 43 H GLU 43 -9.021 -7.316 6.774 354 HA GLU 43 HA GLU 43 -8.223 -5.423 8.835 355 1HB GLU 43 2HB GLU 43 -9.340 -3.981 7.236 356 2HB GLU 43 1HB GLU 43 -10.717 -5.070 7.162 357 1HG GLU 43 2HG GLU 43 -11.137 -3.062 8.519 358 2HG GLU 43 1HG GLU 43 -11.314 -4.562 9.428 359 H THR 44 H THR 44 -10.813 -7.524 7.611 360 HA THR 44 HA THR 44 -12.237 -8.963 8.644 361 HB THR 44 HB THR 44 -11.315 -10.412 10.275 362 HG1 THR 44 1HG THR 44 -9.297 -8.515 10.848 363 1HG2 THR 44 1HG2 THR 44 -9.166 -9.337 8.489 364 2HG2 THR 44 2HG2 THR 44 -10.105 -10.820 8.323 365 3HG2 THR 44 3HG2 THR 44 -8.887 -10.685 9.590 366 H LYS 45 H LYS 45 -13.945 -7.719 9.213 367 HA LYS 45 HA LYS 45 -13.902 -6.485 11.885 368 1HB LYS 45 2HB LYS 45 -15.740 -5.059 11.075 369 2HB LYS 45 1HB LYS 45 -14.286 -4.877 10.100 370 1HG LYS 45 2HG LYS 45 -15.779 -6.926 8.898 371 2HG LYS 45 1HG LYS 45 -16.925 -5.644 9.298 372 1HD LYS 45 2HD LYS 45 -14.392 -4.730 8.115 373 2HD LYS 45 1HD LYS 45 -15.407 -5.701 7.048 374 1HE LYS 45 2HE LYS 45 -16.966 -4.092 6.862 375 2HE LYS 45 1HE LYS 45 -16.848 -3.644 8.563 376 1HZ LYS 45 1HZ LYS 45 -14.685 -2.933 6.694 377 2HZ LYS 45 2HZ LYS 45 -15.123 -2.192 8.150 378 3HZ LYS 45 3HZ LYS 45 -16.083 -1.982 6.773 379 H HIS 46 H HIS 46 -14.515 -9.322 11.075 380 HA HIS 46 HA HIS 46 -16.950 -9.557 12.638 381 1HB HIS 46 2HB HIS 46 -17.244 -9.512 9.934 382 2HB HIS 46 1HB HIS 46 -17.007 -11.235 10.208 383 HD1 HIS 46 1HD HIS 46 -19.322 -12.127 9.949 384 HD2 HIS 46 2HD HIS 46 -19.175 -8.831 12.474 385 HE1 HIS 46 1HE HIS 46 -21.632 -11.922 10.921 386 HE2 HIS 46 2HE HIS 46 -21.496 -9.973 12.512 387 H THR 47 H THR 47 -17.430 -12.268 12.145 388 HA THR 47 HA THR 47 -14.901 -13.564 12.897 389 HB THR 47 HB THR 47 -17.483 -14.340 14.214 390 HG1 THR 47 1HG THR 47 -15.679 -12.374 15.169 391 1HG2 THR 47 1HG2 THR 47 -16.119 -15.187 15.958 392 2HG2 THR 47 2HG2 THR 47 -14.675 -14.444 15.272 393 3HG2 THR 47 3HG2 THR 47 -15.461 -15.782 14.434 394 H LYS 48 H LYS 48 -15.780 -13.677 10.348 395 HA LYS 48 HA LYS 48 -17.454 -15.979 9.907 396 1HB LYS 48 2HB LYS 48 -17.319 -13.985 8.367 397 2HB LYS 48 1HB LYS 48 -15.719 -14.541 7.897 398 1HG LYS 48 2HG LYS 48 -17.227 -16.788 7.535 399 2HG LYS 48 1HG LYS 48 -18.356 -15.505 7.095 400 1HD LYS 48 2HD LYS 48 -15.646 -15.187 6.010 401 2HD LYS 48 1HD LYS 48 -16.520 -16.599 5.412 402 1HE LYS 48 2HE LYS 48 -18.455 -15.019 4.956 403 2HE LYS 48 1HE LYS 48 -17.318 -13.704 5.245 404 1HZ LYS 48 1HZ LYS 48 -15.949 -15.163 3.496 405 2HZ LYS 48 2HZ LYS 48 -16.991 -13.910 3.043 406 3HZ LYS 48 3HZ LYS 48 -17.522 -15.515 2.985 407 H LYS 49 H LYS 49 -14.007 -15.221 9.581 408 HA LYS 49 HA LYS 49 -13.086 -17.729 10.345 409 1HB LYS 49 2HB LYS 49 -12.266 -18.545 8.085 410 2HB LYS 49 1HB LYS 49 -13.987 -18.724 8.396 411 1HG LYS 49 2HG LYS 49 -14.297 -17.757 6.421 412 2HG LYS 49 1HG LYS 49 -13.827 -16.249 7.206 413 1HD LYS 49 2HD LYS 49 -12.504 -16.471 5.235 414 2HD LYS 49 1HD LYS 49 -11.451 -16.787 6.615 415 1HE LYS 49 2HE LYS 49 -10.926 -18.462 5.056 416 2HE LYS 49 1HE LYS 49 -11.968 -19.252 6.238 417 1HZ LYS 49 1HZ LYS 49 -13.027 -19.935 4.391 418 2HZ LYS 49 2HZ LYS 49 -12.457 -18.661 3.438 419 3HZ LYS 49 3HZ LYS 49 -13.771 -18.418 4.474 420 H GLY 50 H GLY 50 -12.560 -14.904 8.321 421 1HA GLY 50 2HA GLY 50 -10.706 -13.450 9.095 422 2HA GLY 50 1HA GLY 50 -9.734 -14.911 9.186 423 H VAL 51 H VAL 51 -11.883 -14.734 6.520 424 HA VAL 51 HA VAL 51 -9.961 -13.471 4.754 425 HB VAL 51 HB VAL 51 -10.809 -16.311 4.193 426 1HG1 VAL 51 1HG1 VAL 51 -8.432 -15.338 2.864 427 2HG1 VAL 51 2HG1 VAL 51 -9.827 -14.314 2.526 428 3HG1 VAL 51 3HG1 VAL 51 -9.896 -16.043 2.180 429 1HG2 VAL 51 1HG2 VAL 51 -9.368 -16.418 6.096 430 2HG2 VAL 51 2HG2 VAL 51 -8.237 -15.276 5.371 431 3HG2 VAL 51 3HG2 VAL 51 -8.425 -16.889 4.682 432 H GLU 52 H GLU 52 -12.719 -13.010 5.639 433 HA GLU 52 HA GLU 52 -14.553 -13.738 3.615 434 1HB GLU 52 2HB GLU 52 -15.894 -11.787 4.552 435 2HB GLU 52 1HB GLU 52 -15.476 -13.067 5.682 436 1HG GLU 52 2HG GLU 52 -14.174 -11.729 6.925 437 2HG GLU 52 1HG GLU 52 -13.552 -10.853 5.526 438 H LYS 53 H LYS 53 -12.316 -11.068 3.971 439 HA LYS 53 HA LYS 53 -13.092 -10.140 1.285 440 1HB LYS 53 2HB LYS 53 -12.554 -7.859 1.942 441 2HB LYS 53 1HB LYS 53 -13.791 -8.522 3.003 442 1HG LYS 53 2HG LYS 53 -11.169 -9.017 4.079 443 2HG LYS 53 1HG LYS 53 -11.395 -7.300 3.741 444 1HD LYS 53 2HD LYS 53 -13.488 -8.884 5.194 445 2HD LYS 53 1HD LYS 53 -12.102 -8.204 6.050 446 1HE LYS 53 2HE LYS 53 -13.557 -6.467 6.280 447 2HE LYS 53 1HE LYS 53 -12.833 -6.023 4.736 448 1HZ LYS 53 1HZ LYS 53 -14.716 -6.504 3.608 449 2HZ LYS 53 2HZ LYS 53 -15.439 -6.156 5.097 450 3HZ LYS 53 3HZ LYS 53 -15.171 -7.762 4.643 451 H TYR 54 H TYR 54 -11.120 -12.102 1.874 452 HA TYR 54 HA TYR 54 -8.994 -12.670 1.306 453 1HB TYR 54 2HB TYR 54 -9.432 -10.156 -0.248 454 2HB TYR 54 1HB TYR 54 -7.808 -10.833 -0.183 455 HD1 TYR 54 1HD TYR 54 -7.322 -12.998 -1.210 456 HD2 TYR 54 2HD TYR 54 -11.205 -11.276 -1.445 457 HE1 TYR 54 1HE TYR 54 -7.905 -14.575 -3.004 458 HE2 TYR 54 2HE TYR 54 -11.800 -12.849 -3.240 459 HH TYR 54 HH TYR 54 -9.465 -14.806 -4.818 460 H GLY 55 H GLY 55 -9.245 -11.722 3.836 461 1HA GLY 55 2HA GLY 55 -7.362 -9.617 4.378 462 2HA GLY 55 1HA GLY 55 -8.163 -10.632 5.567 463 H ALA 56 H ALA 56 -7.355 -13.143 4.835 464 HA ALA 56 HA ALA 56 -4.796 -13.310 5.981 465 1HB ALA 56 1HB ALA 56 -6.368 -15.140 6.143 466 2HB ALA 56 2HB ALA 56 -4.890 -15.696 5.357 467 3HB ALA 56 3HB ALA 56 -6.331 -15.365 4.395 468 H GLU 57 H GLU 57 -5.874 -13.510 2.614 469 HA GLU 57 HA GLU 57 -3.351 -14.139 1.509 470 1HB GLU 57 2HB GLU 57 -5.840 -14.101 0.512 471 2HB GLU 57 1HB GLU 57 -5.277 -12.552 -0.101 472 1HG GLU 57 2HG GLU 57 -4.561 -13.774 -1.830 473 2HG GLU 57 1HG GLU 57 -3.195 -14.128 -0.774 474 H ALA 58 H ALA 58 -4.883 -11.134 2.415 475 HA ALA 58 HA ALA 58 -3.272 -9.337 0.994 476 1HB ALA 58 1HB ALA 58 -3.871 -8.056 3.385 477 2HB ALA 58 2HB ALA 58 -5.188 -9.208 3.160 478 3HB ALA 58 3HB ALA 58 -4.827 -8.026 1.902 479 H SER 59 H SER 59 -2.916 -10.573 4.312 480 HA SER 59 HA SER 59 -0.456 -9.250 4.800 481 1HB SER 59 2HB SER 59 -1.744 -9.916 6.696 482 2HB SER 59 1HB SER 59 -1.813 -11.591 6.145 483 HG SER 59 HG SER 59 0.547 -10.215 6.920 484 H ALA 60 H ALA 60 -1.290 -12.456 3.589 485 HA ALA 60 HA ALA 60 1.296 -13.569 3.687 486 1HB ALA 60 1HB ALA 60 -0.126 -15.267 3.308 487 2HB ALA 60 2HB ALA 60 0.153 -14.883 1.608 488 3HB ALA 60 3HB ALA 60 -1.272 -14.249 2.434 489 H PHE 61 H PHE 61 -0.443 -11.918 1.062 490 HA PHE 61 HA PHE 61 1.502 -12.171 -0.920 491 1HB PHE 61 2HB PHE 61 -0.714 -11.412 -1.485 492 2HB PHE 61 1HB PHE 61 -0.549 -9.999 -0.448 493 HD1 PHE 61 1HD PHE 61 1.151 -8.238 -1.080 494 HD2 PHE 61 2HD PHE 61 -0.059 -11.343 -3.728 495 HE1 PHE 61 1HE PHE 61 1.984 -6.929 -2.989 496 HE2 PHE 61 2HE PHE 61 0.774 -10.040 -5.642 497 HZ PHE 61 HZ PHE 61 1.797 -7.829 -5.274 498 H THR 62 H THR 62 1.027 -9.601 1.475 499 HA THR 62 HA THR 62 3.308 -8.104 0.622 500 HB THR 62 HB THR 62 1.738 -7.956 3.201 501 HG1 THR 62 1HG THR 62 0.634 -6.290 2.166 502 1HG2 THR 62 1HG2 THR 62 2.697 -5.435 2.552 503 2HG2 THR 62 2HG2 THR 62 4.072 -6.518 2.328 504 3HG2 THR 62 3HG2 THR 62 3.228 -6.471 3.877 505 H LYS 63 H LYS 63 2.630 -10.423 3.182 506 HA LYS 63 HA LYS 63 5.026 -10.187 4.615 507 1HB LYS 63 2HB LYS 63 3.151 -11.368 5.552 508 2HB LYS 63 1HB LYS 63 3.157 -12.529 4.234 509 1HG LYS 63 2HG LYS 63 5.704 -12.710 5.331 510 2HG LYS 63 1HG LYS 63 4.625 -12.545 6.717 511 1HD LYS 63 2HD LYS 63 3.248 -14.327 5.213 512 2HD LYS 63 1HD LYS 63 4.908 -14.751 4.789 513 1HE LYS 63 2HE LYS 63 4.527 -16.088 6.633 514 2HE LYS 63 1HE LYS 63 5.305 -14.680 7.354 515 1HZ LYS 63 1HZ LYS 63 3.329 -15.424 8.582 516 2HZ LYS 63 2HZ LYS 63 2.368 -15.102 7.228 517 3HZ LYS 63 3HZ LYS 63 3.170 -13.838 8.015 518 H LYS 64 H LYS 64 4.155 -12.332 1.923 519 HA LYS 64 HA LYS 64 6.751 -13.545 1.823 520 1HB LYS 64 2HB LYS 64 5.920 -14.597 -0.255 521 2HB LYS 64 1HB LYS 64 4.816 -14.809 1.097 522 1HG LYS 64 2HG LYS 64 3.205 -14.066 -0.224 523 2HG LYS 64 1HG LYS 64 3.958 -12.474 -0.125 524 1HD LYS 64 2HD LYS 64 4.775 -12.592 -2.222 525 2HD LYS 64 1HD LYS 64 5.166 -14.308 -2.081 526 1HE LYS 64 2HE LYS 64 2.436 -14.346 -2.050 527 2HE LYS 64 1HE LYS 64 2.767 -12.999 -3.140 528 1HZ LYS 64 1HZ LYS 64 3.678 -14.354 -4.687 529 2HZ LYS 64 2HZ LYS 64 2.655 -15.493 -3.968 530 3HZ LYS 64 3HZ LYS 64 4.295 -15.450 -3.555 531 H MET 65 H MET 65 5.128 -10.906 0.191 532 HA MET 65 HA MET 65 7.075 -10.575 -1.862 533 1HB MET 65 2HB MET 65 4.757 -9.761 -2.071 534 2HB MET 65 1HB MET 65 5.058 -8.595 -0.789 535 1HG MET 65 2HG MET 65 5.491 -7.201 -2.480 536 2HG MET 65 1HG MET 65 7.065 -7.993 -2.491 537 1HE MET 65 1HE MET 65 7.197 -10.127 -5.507 538 2HE MET 65 2HE MET 65 7.744 -9.838 -3.856 539 3HE MET 65 3HE MET 65 7.971 -8.598 -5.090 540 H VAL 66 H VAL 66 6.644 -9.232 1.365 541 HA VAL 66 HA VAL 66 8.724 -7.276 1.051 542 HB VAL 66 HB VAL 66 8.482 -6.860 3.444 543 1HG1 VAL 66 1HG1 VAL 66 5.834 -6.601 3.345 544 2HG1 VAL 66 2HG1 VAL 66 6.138 -6.937 1.640 545 3HG1 VAL 66 3HG1 VAL 66 6.927 -5.568 2.423 546 1HG2 VAL 66 1HG2 VAL 66 6.537 -8.162 4.574 547 2HG2 VAL 66 2HG2 VAL 66 8.141 -8.891 4.499 548 3HG2 VAL 66 3HG2 VAL 66 6.894 -9.391 3.359 549 H GLU 67 H GLU 67 8.466 -10.409 2.712 550 HA GLU 67 HA GLU 67 11.138 -10.375 3.684 551 1HB GLU 67 2HB GLU 67 10.754 -12.699 4.285 552 2HB GLU 67 1HB GLU 67 9.357 -11.722 4.718 553 1HG GLU 67 2HG GLU 67 8.221 -13.386 3.746 554 2HG GLU 67 1HG GLU 67 8.622 -12.522 2.262 555 H ASN 68 H ASN 68 9.619 -11.642 0.771 556 HA ASN 68 HA ASN 68 11.988 -13.029 -0.095 557 1HB ASN 68 2HB ASN 68 9.620 -13.693 -0.689 558 2HB ASN 68 1HB ASN 68 9.583 -12.305 -1.772 559 1HD2 ASN 68 1HD2 ASN 68 10.636 -12.395 -3.697 560 2HD2 ASN 68 2HD2 ASN 68 11.409 -13.817 -4.300 561 H ALA 69 H ALA 69 10.655 -9.854 -0.466 562 HA ALA 69 HA ALA 69 11.968 -9.061 -2.821 563 1HB ALA 69 1HB ALA 69 10.593 -7.719 -0.590 564 2HB ALA 69 2HB ALA 69 10.420 -7.497 -2.331 565 3HB ALA 69 3HB ALA 69 11.759 -6.734 -1.473 566 H LYS 70 H LYS 70 12.964 -9.026 0.560 567 HA LYS 70 HA LYS 70 15.020 -8.952 1.524 568 1HB LYS 70 2HB LYS 70 15.723 -9.424 -1.295 569 2HB LYS 70 1HB LYS 70 16.978 -8.642 -0.347 570 1HG LYS 70 2HG LYS 70 15.596 -11.155 0.540 571 2HG LYS 70 1HG LYS 70 17.052 -11.158 -0.456 572 1HD LYS 70 2HD LYS 70 18.379 -10.620 1.274 573 2HD LYS 70 1HD LYS 70 17.228 -9.443 1.911 574 1HE LYS 70 2HE LYS 70 15.864 -11.414 2.719 575 2HE LYS 70 1HE LYS 70 17.252 -12.424 2.321 576 1HZ LYS 70 1HZ LYS 70 17.032 -10.325 4.384 577 2HZ LYS 70 2HZ LYS 70 18.543 -10.808 3.797 578 3HZ LYS 70 3HZ LYS 70 17.534 -11.932 4.556 579 H LYS 71 H LYS 71 14.052 -6.582 -0.799 580 HA LYS 71 HA LYS 71 15.513 -4.544 0.728 581 1HB LYS 71 2HB LYS 71 16.683 -4.852 -1.392 582 2HB LYS 71 1HB LYS 71 15.177 -4.655 -2.278 583 1HG LYS 71 2HG LYS 71 15.233 -2.343 -0.883 584 2HG LYS 71 1HG LYS 71 16.959 -2.641 -1.098 585 1HD LYS 71 2HD LYS 71 15.656 -3.185 -3.565 586 2HD LYS 71 1HD LYS 71 15.082 -1.624 -2.977 587 1HE LYS 71 2HE LYS 71 17.978 -2.418 -3.252 588 2HE LYS 71 1HE LYS 71 17.084 -1.435 -4.410 589 1HZ LYS 71 1HZ LYS 71 18.082 -0.736 -1.755 590 2HZ LYS 71 2HZ LYS 71 16.620 -0.037 -2.239 591 3HZ LYS 71 3HZ LYS 71 18.015 0.197 -3.165 592 H ILE 72 H ILE 72 14.109 -3.183 1.640 593 HA ILE 72 HA ILE 72 11.552 -2.702 0.255 594 HB ILE 72 HB ILE 72 11.932 -2.682 3.245 595 1HG1 ILE 72 2HG1 ILE 72 10.484 -4.820 3.027 596 2HG1 ILE 72 1HG1 ILE 72 11.052 -4.856 1.360 597 1HG2 ILE 72 1HG2 ILE 72 9.427 -2.714 1.568 598 2HG2 ILE 72 2HG2 ILE 72 10.106 -1.286 2.348 599 3HG2 ILE 72 3HG2 ILE 72 9.517 -2.629 3.326 600 1HD1 ILE 72 1HD1 ILE 72 12.362 -5.738 3.738 601 2HD1 ILE 72 2HD1 ILE 72 13.330 -4.494 2.949 602 3HD1 ILE 72 3HD1 ILE 72 12.846 -5.935 2.054 603 H GLU 73 H GLU 73 10.889 -0.676 -0.018 604 HA GLU 73 HA GLU 73 12.335 1.500 1.330 605 1HB GLU 73 2HB GLU 73 11.822 1.121 -1.604 606 2HB GLU 73 1HB GLU 73 11.974 2.739 -0.934 607 1HG GLU 73 2HG GLU 73 14.147 2.492 -1.354 608 2HG GLU 73 1HG GLU 73 14.164 1.510 0.110 609 H VAL 74 H VAL 74 11.082 3.250 1.931 610 HA VAL 74 HA VAL 74 8.213 3.072 1.275 611 HB VAL 74 HB VAL 74 7.710 3.985 3.507 612 1HG1 VAL 74 1HG1 VAL 74 9.379 1.526 3.893 613 2HG1 VAL 74 2HG1 VAL 74 7.897 1.485 2.938 614 3HG1 VAL 74 3HG1 VAL 74 7.837 1.951 4.637 615 1HG2 VAL 74 1HG2 VAL 74 9.388 5.068 4.523 616 2HG2 VAL 74 2HG2 VAL 74 10.622 4.193 3.618 617 3HG2 VAL 74 3HG2 VAL 74 9.908 3.471 5.058 618 H GLU 75 H GLU 75 7.070 5.000 1.045 619 HA GLU 75 HA GLU 75 8.704 7.444 0.878 620 1HB GLU 75 2HB GLU 75 8.291 6.592 -1.377 621 2HB GLU 75 1HB GLU 75 6.563 6.545 -1.058 622 1HG GLU 75 2HG GLU 75 6.366 8.626 -1.761 623 2HG GLU 75 1HG GLU 75 7.472 9.168 -0.499 624 H PHE 76 H PHE 76 7.996 8.876 2.305 625 HA PHE 76 HA PHE 76 5.322 8.704 3.386 626 1HB PHE 76 2HB PHE 76 7.757 10.342 4.009 627 2HB PHE 76 1HB PHE 76 6.191 10.807 4.666 628 HD1 PHE 76 2HD PHE 76 4.991 9.277 6.192 629 HD2 PHE 76 1HD PHE 76 8.960 8.493 4.872 630 HE1 PHE 76 2HE PHE 76 5.276 7.659 8.023 631 HE2 PHE 76 1HE PHE 76 9.253 6.873 6.701 632 HZ PHE 76 HZ PHE 76 7.409 6.454 8.280 633 H ASP 77 H ASP 77 3.628 9.971 2.921 634 HA ASP 77 HA ASP 77 3.771 11.694 0.630 635 1HB ASP 77 2HB ASP 77 1.684 10.447 2.247 636 2HB ASP 77 1HB ASP 77 1.274 12.092 1.771 637 H LYS 78 H LYS 78 2.103 13.769 1.122 638 HA LYS 78 HA LYS 78 3.709 15.402 2.946 639 1HB LYS 78 2HB LYS 78 2.828 17.325 1.768 640 2HB LYS 78 1HB LYS 78 3.462 16.165 0.609 641 1HG LYS 78 2HG LYS 78 0.626 15.799 1.171 642 2HG LYS 78 1HG LYS 78 1.014 17.378 0.486 643 1HD LYS 78 2HD LYS 78 2.395 16.047 -1.236 644 2HD LYS 78 1HD LYS 78 1.467 14.652 -0.680 645 1HE LYS 78 2HE LYS 78 -0.615 15.892 -1.194 646 2HE LYS 78 1HE LYS 78 0.363 17.204 -1.849 647 1HZ LYS 78 1HZ LYS 78 -0.034 14.485 -2.916 648 2HZ LYS 78 2HZ LYS 78 1.347 15.368 -3.331 649 3HZ LYS 78 3HZ LYS 78 -0.187 15.973 -3.707 650 H GLY 79 H GLY 79 1.300 13.528 3.550 651 1HA GLY 79 2HA GLY 79 -0.578 15.442 4.691 652 2HA GLY 79 1HA GLY 79 -0.763 13.695 4.661 653 H GLN 80 H GLN 80 0.272 12.434 6.259 654 HA GLN 80 HA GLN 80 1.589 13.850 8.442 655 1HB GLN 80 2HB GLN 80 0.126 12.947 10.143 656 2HB GLN 80 1HB GLN 80 -0.826 13.863 8.985 657 1HG GLN 80 2HG GLN 80 -0.813 11.236 8.033 658 2HG GLN 80 1HG GLN 80 -1.056 11.114 9.775 659 1HE2 GLN 80 1HE2 GLN 80 -2.580 13.115 10.475 660 2HE2 GLN 80 2HE2 GLN 80 -4.080 13.134 9.619 661 H ARG 81 H ARG 81 3.061 12.631 9.541 662 HA ARG 81 HA ARG 81 3.913 10.191 8.335 663 1HB ARG 81 2HB ARG 81 5.135 12.121 9.844 664 2HB ARG 81 1HB ARG 81 4.987 10.807 11.003 665 1HG ARG 81 2HG ARG 81 6.382 9.417 9.815 666 2HG ARG 81 1HG ARG 81 6.083 10.248 8.287 667 1HD ARG 81 2HD ARG 81 8.076 11.205 8.643 668 2HD ARG 81 1HD ARG 81 7.208 12.228 9.786 669 HE ARG 81 HE ARG 81 7.901 10.088 11.284 670 1HH1 ARG 81 1HH1 ARG 81 9.711 12.218 9.194 671 2HH1 ARG 81 2HH1 ARG 81 11.182 12.057 10.095 672 1HH2 ARG 81 1HH2 ARG 81 9.834 9.874 12.471 673 2HH2 ARG 81 2HH2 ARG 81 11.251 10.726 11.956 674 H THR 82 H THR 82 2.139 11.044 11.237 675 HA THR 82 HA THR 82 1.471 8.207 11.603 676 HB THR 82 HB THR 82 1.774 8.302 13.958 677 HG1 THR 82 1HG THR 82 2.247 11.079 13.642 678 1HG2 THR 82 1HG2 THR 82 3.942 8.687 12.297 679 2HG2 THR 82 2HG2 THR 82 3.985 8.174 13.983 680 3HG2 THR 82 3HG2 THR 82 4.165 9.880 13.576 681 H ASP 83 H ASP 83 -0.599 8.325 10.886 682 HA ASP 83 HA ASP 83 -2.389 10.397 11.062 683 1HB ASP 83 2HB ASP 83 -2.502 7.861 10.097 684 2HB ASP 83 1HB ASP 83 -3.583 7.729 11.480 685 H LYS 84 H LYS 84 -2.619 7.561 13.215 686 HA LYS 84 HA LYS 84 -2.749 9.124 15.587 687 1HB LYS 84 2HB LYS 84 -5.156 8.426 16.108 688 2HB LYS 84 1HB LYS 84 -4.922 9.770 14.999 689 1HG LYS 84 2HG LYS 84 -5.051 7.204 13.640 690 2HG LYS 84 1HG LYS 84 -6.505 7.563 14.572 691 1HD LYS 84 2HD LYS 84 -6.156 9.940 13.399 692 2HD LYS 84 1HD LYS 84 -5.392 8.914 12.183 693 1HE LYS 84 2HE LYS 84 -7.470 7.497 12.233 694 2HE LYS 84 1HE LYS 84 -8.211 8.749 13.228 695 1HZ LYS 84 1HZ LYS 84 -8.369 8.710 10.583 696 2HZ LYS 84 2HZ LYS 84 -6.969 9.643 10.756 697 3HZ LYS 84 3HZ LYS 84 -8.411 10.141 11.486 698 H TYR 85 H TYR 85 -1.407 6.777 14.560 699 HA TYR 85 HA TYR 85 -2.072 4.946 16.743 700 1HB TYR 85 2HB TYR 85 -1.590 4.010 13.907 701 2HB TYR 85 1HB TYR 85 -1.914 2.990 15.305 702 HD1 TYR 85 1HD TYR 85 -4.166 2.925 16.298 703 HD2 TYR 85 2HD TYR 85 -3.363 5.155 12.765 704 HE1 TYR 85 1HE TYR 85 -6.579 3.054 15.838 705 HE2 TYR 85 2HE TYR 85 -5.773 5.291 12.296 706 HH TYR 85 HH TYR 85 -7.903 3.611 13.105 707 H GLY 86 H GLY 86 0.092 6.933 16.033 708 1HA GLY 86 2HA GLY 86 2.379 7.102 16.178 709 2HA GLY 86 1HA GLY 86 2.263 5.673 17.195 710 H ARG 87 H ARG 87 1.218 5.559 13.883 711 HA ARG 87 HA ARG 87 3.398 3.695 13.307 712 1HB ARG 87 2HB ARG 87 0.614 3.844 12.598 713 2HB ARG 87 1HB ARG 87 1.591 3.790 11.137 714 1HG ARG 87 2HG ARG 87 1.251 1.562 11.528 715 2HG ARG 87 1HG ARG 87 2.787 1.816 12.357 716 1HD ARG 87 2HD ARG 87 1.903 1.251 14.320 717 2HD ARG 87 1HD ARG 87 0.564 2.378 14.107 718 HE ARG 87 HE ARG 87 -0.117 0.294 12.520 719 1HH1 ARG 87 1HH1 ARG 87 0.835 0.539 15.869 720 2HH1 ARG 87 2HH1 ARG 87 -0.104 -0.829 16.365 721 1HH2 ARG 87 1HH2 ARG 87 -1.352 -1.505 13.171 722 2HH2 ARG 87 2HH2 ARG 87 -1.346 -1.989 14.834 723 H GLY 88 H GLY 88 3.609 3.773 10.625 724 1HA GLY 88 2HA GLY 88 4.535 6.528 10.086 725 2HA GLY 88 1HA GLY 88 5.416 5.098 9.572 726 H LEU 89 H LEU 89 2.504 7.005 9.066 727 HA LEU 89 HA LEU 89 1.335 5.580 6.993 728 1HB LEU 89 2HB LEU 89 1.382 8.486 7.712 729 2HB LEU 89 1HB LEU 89 0.590 7.963 6.238 730 HG LEU 89 HG LEU 89 -0.120 7.149 9.056 731 1HD1 LEU 89 1HD1 LEU 89 -2.361 8.157 7.970 732 2HD1 LEU 89 2HD1 LEU 89 -1.152 9.117 7.118 733 3HD1 LEU 89 3HD1 LEU 89 -1.199 9.121 8.881 734 1HD2 LEU 89 1HD2 LEU 89 -2.131 6.205 7.526 735 2HD2 LEU 89 2HD2 LEU 89 -0.761 5.232 8.062 736 3HD2 LEU 89 3HD2 LEU 89 -0.760 5.941 6.448 737 H ALA 90 H ALA 90 2.178 4.953 5.125 738 HA ALA 90 HA ALA 90 3.187 6.669 3.178 739 1HB ALA 90 1HB ALA 90 5.595 5.913 3.186 740 2HB ALA 90 2HB ALA 90 5.314 5.316 4.821 741 3HB ALA 90 3HB ALA 90 5.138 7.035 4.468 742 H TYR 91 H TYR 91 4.115 5.498 1.304 743 HA TYR 91 HA TYR 91 2.744 2.981 0.959 744 1HB TYR 91 2HB TYR 91 4.532 4.397 -1.023 745 2HB TYR 91 1HB TYR 91 3.320 3.170 -1.368 746 HD1 TYR 91 1HD TYR 91 1.201 4.398 0.550 747 HD2 TYR 91 2HD TYR 91 3.641 6.032 -2.530 748 HE1 TYR 91 1HE TYR 91 -0.471 6.160 0.167 749 HE2 TYR 91 2HE TYR 91 1.977 7.800 -2.918 750 HH TYR 91 HH TYR 91 -0.421 8.567 -0.802 751 H ILE 92 H ILE 92 3.661 0.985 0.610 752 HA ILE 92 HA ILE 92 6.466 0.740 1.430 753 HB ILE 92 HB ILE 92 4.422 -1.464 1.159 754 1HG1 ILE 92 2HG1 ILE 92 3.807 0.291 2.853 755 2HG1 ILE 92 1HG1 ILE 92 4.043 -1.321 3.522 756 1HG2 ILE 92 1HG2 ILE 92 6.867 -2.046 1.070 757 2HG2 ILE 92 2HG2 ILE 92 5.949 -2.827 2.357 758 3HG2 ILE 92 3HG2 ILE 92 6.991 -1.452 2.725 759 1HD1 ILE 92 1HD1 ILE 92 5.214 1.062 4.366 760 2HD1 ILE 92 2HD1 ILE 92 6.504 0.155 3.578 761 3HD1 ILE 92 3HD1 ILE 92 5.597 -0.573 4.904 762 H TYR 93 H TYR 93 8.010 -0.028 0.104 763 HA TYR 93 HA TYR 93 7.175 -1.050 -2.526 764 1HB TYR 93 2HB TYR 93 9.486 0.805 -1.920 765 2HB TYR 93 1HB TYR 93 9.179 0.066 -3.488 766 HD1 TYR 93 2HD TYR 93 7.901 2.496 -1.019 767 HD2 TYR 93 1HD TYR 93 7.528 0.949 -4.964 768 HE1 TYR 93 2HE TYR 93 6.439 4.381 -1.612 769 HE2 TYR 93 1HE TYR 93 6.065 2.831 -5.568 770 HH TYR 93 HH TYR 93 5.858 5.585 -3.983 771 H ALA 94 H ALA 94 8.261 -2.795 -3.323 772 HA ALA 94 HA ALA 94 10.366 -3.930 -1.597 773 1HB ALA 94 1HB ALA 94 8.925 -5.862 -3.237 774 2HB ALA 94 2HB ALA 94 7.893 -5.020 -2.082 775 3HB ALA 94 3HB ALA 94 9.314 -5.898 -1.517 776 H ASP 95 H ASP 95 12.247 -4.421 -2.519 777 HA ASP 95 HA ASP 95 13.913 -4.297 -4.090 778 1HB ASP 95 2HB ASP 95 12.918 -6.619 -4.237 779 2HB ASP 95 1HB ASP 95 12.044 -6.068 -5.663 780 H GLY 96 H GLY 96 12.329 -2.037 -4.345 781 1HA GLY 96 2HA GLY 96 12.256 -0.268 -5.836 782 2HA GLY 96 1HA GLY 96 12.892 -1.333 -7.078 783 H LYS 97 H LYS 97 10.087 -2.406 -5.391 784 HA LYS 97 HA LYS 97 8.419 -1.625 -7.689 785 1HB LYS 97 2HB LYS 97 8.842 -4.018 -7.732 786 2HB LYS 97 1HB LYS 97 8.327 -4.169 -6.058 787 1HG LYS 97 2HG LYS 97 6.086 -3.824 -6.588 788 2HG LYS 97 1HG LYS 97 6.471 -3.123 -8.160 789 1HD LYS 97 2HD LYS 97 7.417 -5.878 -7.766 790 2HD LYS 97 1HD LYS 97 5.663 -5.688 -7.773 791 1HE LYS 97 2HE LYS 97 5.598 -5.167 -9.964 792 2HE LYS 97 1HE LYS 97 7.088 -4.227 -9.889 793 1HZ LYS 97 1HZ LYS 97 7.193 -7.162 -9.686 794 2HZ LYS 97 2HZ LYS 97 8.381 -6.085 -10.224 795 3HZ LYS 97 3HZ LYS 97 7.046 -6.428 -11.204 796 H MET 98 H MET 98 6.092 -1.441 -7.197 797 HA MET 98 HA MET 98 5.728 -0.210 -4.568 798 1HB MET 98 2HB MET 98 3.552 -0.073 -6.573 799 2HB MET 98 1HB MET 98 4.167 1.168 -5.495 800 1HG MET 98 2HG MET 98 6.106 1.468 -6.960 801 2HG MET 98 1HG MET 98 5.468 0.236 -8.045 802 1HE MET 98 1HE MET 98 3.361 4.187 -7.102 803 2HE MET 98 2HE MET 98 4.168 3.101 -5.973 804 3HE MET 98 3HE MET 98 2.559 2.707 -6.579 805 H VAL 99 H VAL 99 4.835 -1.366 -3.011 806 HA VAL 99 HA VAL 99 3.513 -3.849 -3.504 807 HB VAL 99 HB VAL 99 3.576 -2.297 -0.914 808 1HG1 VAL 99 1HG1 VAL 99 2.738 -4.121 0.107 809 2HG1 VAL 99 2HG1 VAL 99 3.621 -5.238 -0.935 810 3HG1 VAL 99 3HG1 VAL 99 2.123 -4.499 -1.502 811 1HG2 VAL 99 1HG2 VAL 99 5.550 -4.342 -1.925 812 2HG2 VAL 99 2HG2 VAL 99 5.575 -3.557 -0.346 813 3HG2 VAL 99 3HG2 VAL 99 5.843 -2.607 -1.808 814 H ASN 100 H ASN 100 2.489 -0.570 -2.886 815 HA ASN 100 HA ASN 100 -0.176 -1.055 -2.159 816 1HB ASN 100 2HB ASN 100 -0.583 1.279 -2.783 817 2HB ASN 100 1HB ASN 100 0.920 1.128 -1.878 818 1HD2 ASN 100 1HD2 ASN 100 -0.493 2.501 -4.511 819 2HD2 ASN 100 2HD2 ASN 100 0.917 2.850 -5.445 820 H GLU 101 H GLU 101 1.291 -0.472 -5.340 821 HA GLU 101 HA GLU 101 -1.200 -0.715 -6.727 822 1HB GLU 101 2HB GLU 101 0.036 -0.391 -8.715 823 2HB GLU 101 1HB GLU 101 0.828 0.602 -7.500 824 1HG GLU 101 2HG GLU 101 2.678 -0.333 -8.360 825 2HG GLU 101 1HG GLU 101 2.272 -1.633 -7.242 826 H ALA 102 H ALA 102 1.462 -2.878 -5.959 827 HA ALA 102 HA ALA 102 0.789 -4.988 -7.684 828 1HB ALA 102 1HB ALA 102 1.941 -5.675 -5.049 829 2HB ALA 102 2HB ALA 102 2.851 -4.537 -6.043 830 3HB ALA 102 3HB ALA 102 2.457 -6.138 -6.671 831 H LEU 103 H LEU 103 -0.125 -4.375 -4.305 832 HA LEU 103 HA LEU 103 -1.672 -6.714 -3.988 833 1HB LEU 103 2HB LEU 103 -1.641 -4.072 -2.550 834 2HB LEU 103 1HB LEU 103 -2.736 -5.364 -2.096 835 HG LEU 103 HG LEU 103 0.155 -6.029 -2.269 836 1HD1 LEU 103 1HD1 LEU 103 -1.016 -4.542 0.075 837 2HD1 LEU 103 2HD1 LEU 103 0.083 -3.839 -1.112 838 3HD1 LEU 103 3HD1 LEU 103 0.628 -5.161 -0.079 839 1HD2 LEU 103 1HD2 LEU 103 -2.149 -6.810 -0.496 840 2HD2 LEU 103 2HD2 LEU 103 -0.491 -7.351 -0.240 841 3HD2 LEU 103 3HD2 LEU 103 -1.344 -7.794 -1.719 842 H VAL 104 H VAL 104 -2.663 -3.348 -4.623 843 HA VAL 104 HA VAL 104 -5.405 -3.872 -4.873 844 HB VAL 104 HB VAL 104 -3.882 -1.679 -6.276 845 1HG1 VAL 104 1HG1 VAL 104 -5.855 -0.712 -6.757 846 2HG1 VAL 104 2HG1 VAL 104 -6.587 -1.207 -5.232 847 3HG1 VAL 104 3HG1 VAL 104 -6.489 -2.347 -6.573 848 1HG2 VAL 104 1HG2 VAL 104 -3.620 -0.565 -4.349 849 2HG2 VAL 104 2HG2 VAL 104 -3.861 -2.131 -3.576 850 3HG2 VAL 104 3HG2 VAL 104 -5.218 -1.020 -3.761 851 H ARG 105 H ARG 105 -2.884 -3.605 -7.377 852 HA ARG 105 HA ARG 105 -4.511 -4.007 -9.603 853 1HB ARG 105 2HB ARG 105 -1.612 -4.665 -9.103 854 2HB ARG 105 1HB ARG 105 -2.377 -4.933 -10.662 855 1HG ARG 105 2HG ARG 105 -2.888 -2.263 -9.687 856 2HG ARG 105 1HG ARG 105 -1.159 -2.604 -9.776 857 1HD ARG 105 2HD ARG 105 -2.846 -3.419 -12.079 858 2HD ARG 105 1HD ARG 105 -2.546 -1.695 -11.858 859 HE ARG 105 HE ARG 105 -0.666 -3.685 -12.718 860 1HH1 ARG 105 1HH1 ARG 105 -1.011 -0.581 -11.163 861 2HH1 ARG 105 2HH1 ARG 105 0.586 -0.056 -11.576 862 1HH2 ARG 105 1HH2 ARG 105 1.436 -2.997 -13.262 863 2HH2 ARG 105 2HH2 ARG 105 1.975 -1.428 -12.768 864 H GLN 106 H GLN 106 -3.212 -6.280 -7.297 865 HA GLN 106 HA GLN 106 -4.062 -8.567 -8.890 866 1HB GLN 106 2HB GLN 106 -2.355 -8.153 -6.504 867 2HB GLN 106 1HB GLN 106 -3.244 -9.670 -6.567 868 1HG GLN 106 2HG GLN 106 -1.387 -10.344 -7.649 869 2HG GLN 106 1HG GLN 106 -2.247 -9.678 -9.036 870 1HE2 GLN 106 1HE2 GLN 106 0.662 -9.811 -7.625 871 2HE2 GLN 106 2HE2 GLN 106 1.338 -8.313 -8.157 872 H GLY 107 H GLY 107 -5.153 -6.623 -6.243 873 1HA GLY 107 2HA GLY 107 -7.434 -6.599 -5.572 874 2HA GLY 107 1HA GLY 107 -7.573 -8.274 -6.088 875 H LEU 108 H LEU 108 -5.180 -6.735 -3.968 876 HA LEU 108 HA LEU 108 -6.035 -8.583 -1.836 877 1HB LEU 108 2HB LEU 108 -3.313 -7.608 -2.641 878 2HB LEU 108 1HB LEU 108 -3.612 -8.200 -1.017 879 HG LEU 108 HG LEU 108 -2.636 -9.903 -2.538 880 1HD1 LEU 108 1HD1 LEU 108 -4.696 -11.551 -2.128 881 2HD1 LEU 108 2HD1 LEU 108 -5.185 -10.221 -1.078 882 3HD1 LEU 108 3HD1 LEU 108 -3.627 -11.010 -0.833 883 1HD2 LEU 108 1HD2 LEU 108 -3.629 -10.616 -4.457 884 2HD2 LEU 108 2HD2 LEU 108 -4.191 -8.944 -4.462 885 3HD2 LEU 108 3HD2 LEU 108 -5.255 -10.230 -3.892 886 H ALA 109 H ALA 109 -5.176 -5.309 -2.673 887 HA ALA 109 HA ALA 109 -5.993 -4.463 0.024 888 1HB ALA 109 1HB ALA 109 -3.477 -4.268 -0.613 889 2HB ALA 109 2HB ALA 109 -4.280 -2.929 0.206 890 3HB ALA 109 3HB ALA 109 -4.011 -2.863 -1.536 891 H LYS 110 H LYS 110 -7.322 -2.694 0.161 892 HA LYS 110 HA LYS 110 -8.478 -1.785 -2.374 893 1HB LYS 110 2HB LYS 110 -10.395 -1.057 -1.041 894 2HB LYS 110 1HB LYS 110 -10.034 -2.752 -0.747 895 1HG LYS 110 2HG LYS 110 -9.929 -2.351 1.422 896 2HG LYS 110 1HG LYS 110 -8.585 -1.239 1.152 897 1HD LYS 110 2HD LYS 110 -10.042 0.215 2.124 898 2HD LYS 110 1HD LYS 110 -10.586 0.374 0.452 899 1HE LYS 110 2HE LYS 110 -12.240 -1.479 0.967 900 2HE LYS 110 1HE LYS 110 -11.816 -1.253 2.663 901 1HZ LYS 110 1HZ LYS 110 -12.338 1.252 1.960 902 2HZ LYS 110 2HZ LYS 110 -13.512 0.201 2.573 903 3HZ LYS 110 3HZ LYS 110 -13.385 0.443 0.904 904 H VAL 111 H VAL 111 -9.583 0.581 -1.788 905 HA VAL 111 HA VAL 111 -7.238 2.289 -1.387 906 HB VAL 111 HB VAL 111 -9.948 3.096 -2.443 907 1HG1 VAL 111 1HG1 VAL 111 -8.013 4.707 -1.507 908 2HG1 VAL 111 2HG1 VAL 111 -9.098 5.154 -2.824 909 3HG1 VAL 111 3HG1 VAL 111 -7.483 4.540 -3.181 910 1HG2 VAL 111 1HG2 VAL 111 -8.833 1.330 -3.818 911 2HG2 VAL 111 2HG2 VAL 111 -7.489 2.447 -4.057 912 3HG2 VAL 111 3HG2 VAL 111 -9.094 2.857 -4.661 913 H ALA 112 H ALA 112 -6.949 3.033 0.606 914 HA ALA 112 HA ALA 112 -8.928 3.091 2.610 915 1HB ALA 112 1HB ALA 112 -7.267 3.736 4.013 916 2HB ALA 112 2HB ALA 112 -6.605 4.906 2.872 917 3HB ALA 112 3HB ALA 112 -6.262 3.189 2.671 918 H TYR 113 H TYR 113 -8.679 5.548 3.860 919 HA TYR 113 HA TYR 113 -9.702 7.502 1.927 920 1HB TYR 113 2HB TYR 113 -11.088 6.560 4.433 921 2HB TYR 113 1HB TYR 113 -11.460 8.109 3.685 922 HD1 TYR 113 2HD TYR 113 -11.195 4.488 2.805 923 HD2 TYR 113 1HD TYR 113 -13.153 8.201 2.111 924 HE1 TYR 113 2HE TYR 113 -12.766 3.368 1.281 925 HE2 TYR 113 1HE TYR 113 -14.730 7.091 0.585 926 HH TYR 113 HH TYR 113 -15.590 4.494 0.398 927 H VAL 114 H VAL 114 -7.419 8.206 2.371 928 HA VAL 114 HA VAL 114 -7.221 9.713 4.891 929 HB VAL 114 HB VAL 114 -4.926 9.159 3.027 930 1HG1 VAL 114 1HG1 VAL 114 -4.678 10.937 4.719 931 2HG1 VAL 114 2HG1 VAL 114 -3.570 9.590 4.979 932 3HG1 VAL 114 3HG1 VAL 114 -5.012 9.751 5.982 933 1HG2 VAL 114 1HG2 VAL 114 -5.463 6.976 3.499 934 2HG2 VAL 114 2HG2 VAL 114 -6.175 7.375 5.062 935 3HG2 VAL 114 3HG2 VAL 114 -4.422 7.360 4.871 936 H TYR 115 H TYR 115 -8.686 11.298 3.846 937 HA TYR 115 HA TYR 115 -7.430 12.942 1.782 938 1HB TYR 115 2HB TYR 115 -9.660 14.161 1.859 939 2HB TYR 115 1HB TYR 115 -9.710 12.489 1.310 940 HD1 TYR 115 2HD TYR 115 -10.580 14.790 4.032 941 HD2 TYR 115 1HD TYR 115 -10.791 10.777 2.635 942 HE1 TYR 115 2HE TYR 115 -12.267 14.287 5.749 943 HE2 TYR 115 1HE TYR 115 -12.479 10.263 4.347 944 HH TYR 115 HH TYR 115 -13.191 12.406 6.929 945 H LYS 116 H LYS 116 -6.061 13.050 4.152 946 HA LYS 116 HA LYS 116 -6.709 15.757 5.119 947 1HB LYS 116 2HB LYS 116 -5.532 14.978 7.273 948 2HB LYS 116 1HB LYS 116 -7.177 14.428 6.984 949 1HG LYS 116 2HG LYS 116 -4.979 12.696 6.017 950 2HG LYS 116 1HG LYS 116 -5.238 12.794 7.759 951 1HD LYS 116 2HD LYS 116 -7.630 12.398 6.055 952 2HD LYS 116 1HD LYS 116 -6.516 11.038 6.208 953 1HE LYS 116 2HE LYS 116 -6.680 11.696 8.776 954 2HE LYS 116 1HE LYS 116 -8.238 12.334 8.252 955 1HZ LYS 116 1HZ LYS 116 -7.279 9.541 7.931 956 2HZ LYS 116 2HZ LYS 116 -8.738 10.133 7.314 957 3HZ LYS 116 3HZ LYS 116 -8.489 10.075 8.987 958 H GLY 117 H GLY 117 -4.946 14.887 2.937 959 1HA GLY 117 2HA GLY 117 -3.005 16.415 2.530 960 2HA GLY 117 1HA GLY 117 -2.362 15.797 4.044 961 H ASN 118 H ASN 118 -3.109 13.058 3.607 962 HA ASN 118 HA ASN 118 -0.900 12.297 1.908 963 1HB ASN 118 2HB ASN 118 -2.830 10.486 3.369 964 2HB ASN 118 1HB ASN 118 -1.232 10.069 2.755 965 1HD2 ASN 118 1HD2 ASN 118 -2.992 11.853 5.187 966 2HD2 ASN 118 2HD2 ASN 118 -1.675 12.025 6.291 967 H ASN 119 H ASN 119 -2.333 13.391 0.114 968 HA ASN 119 HA ASN 119 -3.725 11.198 -1.265 969 1HB ASN 119 2HB ASN 119 -5.299 12.873 -2.217 970 2HB ASN 119 1HB ASN 119 -5.440 12.712 -0.469 971 1HD2 ASN 119 1HD2 ASN 119 -4.415 14.336 0.851 972 2HD2 ASN 119 2HD2 ASN 119 -4.247 15.945 0.244 973 H THR 120 H THR 120 -1.285 11.228 -1.934 974 HA THR 120 HA THR 120 -0.845 13.115 -4.133 975 HB THR 120 HB THR 120 1.122 11.157 -2.942 976 HG1 THR 120 1HG THR 120 0.497 12.631 -1.359 977 1HG2 THR 120 1HG2 THR 120 1.773 13.709 -4.360 978 2HG2 THR 120 2HG2 THR 120 1.572 12.188 -5.231 979 3HG2 THR 120 3HG2 THR 120 2.823 12.340 -3.996 980 H HIS 121 H HIS 121 -0.640 9.628 -3.442 981 HA HIS 121 HA HIS 121 -0.594 9.065 -6.305 982 1HB HIS 121 2HB HIS 121 -0.045 7.456 -3.839 983 2HB HIS 121 1HB HIS 121 -0.417 6.635 -5.351 984 HD1 HIS 121 1HD HIS 121 1.538 9.775 -5.581 985 HD2 HIS 121 2HD HIS 121 2.262 5.687 -5.399 986 HE1 HIS 121 1HE HIS 121 3.945 9.489 -6.249 987 HE2 HIS 121 2HE HIS 121 4.384 7.015 -6.051 988 H GLU 122 H GLU 122 -3.009 9.988 -4.645 989 HA GLU 122 HA GLU 122 -4.865 7.908 -4.448 990 1HB GLU 122 2HB GLU 122 -4.916 10.485 -3.751 991 2HB GLU 122 1HB GLU 122 -5.832 10.603 -5.247 992 1HG GLU 122 2HG GLU 122 -7.538 9.226 -4.450 993 2HG GLU 122 1HG GLU 122 -6.540 8.597 -3.139 994 H GLN 123 H GLN 123 -3.557 9.415 -7.223 995 HA GLN 123 HA GLN 123 -5.765 8.992 -8.979 996 1HB GLN 123 2HB GLN 123 -4.159 9.495 -10.774 997 2HB GLN 123 1HB GLN 123 -4.096 10.685 -9.482 998 1HG GLN 123 2HG GLN 123 -2.114 9.491 -8.569 999 2HG GLN 123 1HG GLN 123 -2.145 8.455 -9.995 1000 1HE2 GLN 123 1HE2 GLN 123 -2.483 9.960 -12.071 1001 2HE2 GLN 123 2HE2 GLN 123 -1.300 11.213 -12.198 1002 H LEU 124 H LEU 124 -2.683 7.266 -8.474 1003 HA LEU 124 HA LEU 124 -3.290 5.212 -10.342 1004 1HB LEU 124 2HB LEU 124 -1.308 4.155 -9.626 1005 2HB LEU 124 1HB LEU 124 -0.993 5.877 -9.547 1006 HG LEU 124 HG LEU 124 -1.782 5.462 -7.008 1007 1HD1 LEU 124 1HD1 LEU 124 -1.959 2.962 -7.704 1008 2HD1 LEU 124 2HD1 LEU 124 -1.241 3.395 -6.153 1009 3HD1 LEU 124 3HD1 LEU 124 -0.205 2.981 -7.519 1010 1HD2 LEU 124 1HD2 LEU 124 0.919 5.214 -8.286 1011 2HD2 LEU 124 2HD2 LEU 124 0.716 5.131 -6.536 1012 3HD2 LEU 124 3HD2 LEU 124 0.227 6.580 -7.414 1013 H LEU 125 H LEU 125 -3.817 5.617 -6.902 1014 HA LEU 125 HA LEU 125 -4.478 2.943 -6.293 1015 1HB LEU 125 2HB LEU 125 -5.509 5.445 -4.954 1016 2HB LEU 125 1HB LEU 125 -5.481 3.830 -4.270 1017 HG LEU 125 HG LEU 125 -2.901 5.079 -5.108 1018 1HD1 LEU 125 1HD1 LEU 125 -4.670 6.047 -2.973 1019 2HD1 LEU 125 2HD1 LEU 125 -3.340 6.853 -3.802 1020 3HD1 LEU 125 3HD1 LEU 125 -3.006 5.730 -2.484 1021 1HD2 LEU 125 1HD2 LEU 125 -2.421 2.995 -4.361 1022 2HD2 LEU 125 2HD2 LEU 125 -3.849 2.914 -3.330 1023 3HD2 LEU 125 3HD2 LEU 125 -2.430 3.818 -2.802 1024 H ARG 126 H ARG 126 -6.440 5.709 -7.309 1025 HA ARG 126 HA ARG 126 -8.941 4.403 -7.098 1026 1HB ARG 126 2HB ARG 126 -7.954 6.869 -8.474 1027 2HB ARG 126 1HB ARG 126 -9.560 6.262 -8.851 1028 1HG ARG 126 2HG ARG 126 -9.704 6.229 -6.180 1029 2HG ARG 126 1HG ARG 126 -8.542 7.539 -6.395 1030 1HD ARG 126 2HD ARG 126 -10.226 8.433 -8.138 1031 2HD ARG 126 1HD ARG 126 -11.374 7.348 -7.355 1032 HE ARG 126 HE ARG 126 -10.430 9.844 -6.361 1033 1HH1 ARG 126 1HH1 ARG 126 -11.491 6.671 -5.367 1034 2HH1 ARG 126 2HH1 ARG 126 -12.026 7.202 -3.808 1035 1HH2 ARG 126 1HH2 ARG 126 -11.133 10.543 -4.312 1036 2HH2 ARG 126 2HH2 ARG 126 -11.823 9.400 -3.209 1037 H LYS 127 H LYS 127 -6.590 4.707 -9.700 1038 HA LYS 127 HA LYS 127 -8.240 3.550 -11.712 1039 1HB LYS 127 2HB LYS 127 -5.483 4.500 -11.475 1040 2HB LYS 127 1HB LYS 127 -5.642 3.103 -12.531 1041 1HG LYS 127 2HG LYS 127 -5.803 5.157 -13.799 1042 2HG LYS 127 1HG LYS 127 -7.338 4.287 -13.838 1043 1HD LYS 127 2HD LYS 127 -7.826 5.822 -11.728 1044 2HD LYS 127 1HD LYS 127 -6.635 6.856 -12.520 1045 1HE LYS 127 2HE LYS 127 -9.169 5.790 -13.760 1046 2HE LYS 127 1HE LYS 127 -8.900 7.442 -13.206 1047 1HZ LYS 127 1HZ LYS 127 -8.418 7.682 -15.398 1048 2HZ LYS 127 2HZ LYS 127 -7.882 6.090 -15.589 1049 3HZ LYS 127 3HZ LYS 127 -6.878 7.236 -14.857 1050 H SER 128 H SER 128 -5.545 2.272 -9.766 1051 HA SER 128 HA SER 128 -5.616 -0.342 -10.773 1052 1HB SER 128 2HB SER 128 -4.751 0.599 -8.028 1053 2HB SER 128 1HB SER 128 -4.353 -0.959 -8.749 1054 HG SER 128 HG SER 128 -3.279 0.215 -10.425 1055 H GLU 129 H GLU 129 -7.301 1.142 -8.039 1056 HA GLU 129 HA GLU 129 -8.500 -1.258 -7.111 1057 1HB GLU 129 2HB GLU 129 -8.244 0.716 -5.681 1058 2HB GLU 129 1HB GLU 129 -9.353 1.615 -6.709 1059 1HG GLU 129 2HG GLU 129 -10.818 -0.602 -6.049 1060 2HG GLU 129 1HG GLU 129 -9.897 -0.291 -4.577 1061 H ALA 130 H ALA 130 -9.497 1.255 -9.369 1062 HA ALA 130 HA ALA 130 -12.173 0.457 -9.687 1063 1HB ALA 130 1HB ALA 130 -11.900 2.499 -10.625 1064 2HB ALA 130 2HB ALA 130 -11.660 1.536 -12.082 1065 3HB ALA 130 3HB ALA 130 -10.267 2.144 -11.189 1066 H GLN 131 H GLN 131 -9.266 -0.380 -11.565 1067 HA GLN 131 HA GLN 131 -10.540 -2.052 -13.420 1068 1HB GLN 131 2HB GLN 131 -8.275 -3.030 -13.775 1069 2HB GLN 131 1HB GLN 131 -8.306 -1.274 -13.844 1070 1HG GLN 131 2HG GLN 131 -7.391 -1.125 -11.622 1071 2HG GLN 131 1HG GLN 131 -7.470 -2.877 -11.439 1072 1HE2 GLN 131 1HE2 GLN 131 -5.966 -4.163 -12.473 1073 2HE2 GLN 131 2HE2 GLN 131 -4.527 -3.526 -13.184 1074 H ALA 132 H ALA 132 -9.249 -2.678 -10.207 1075 HA ALA 132 HA ALA 132 -9.591 -5.517 -10.351 1076 1HB ALA 132 1HB ALA 132 -7.936 -4.483 -8.863 1077 2HB ALA 132 2HB ALA 132 -9.065 -5.507 -7.976 1078 3HB ALA 132 3HB ALA 132 -9.242 -3.753 -7.929 1079 H LYS 133 H LYS 133 -11.551 -2.806 -9.357 1080 HA LYS 133 HA LYS 133 -13.504 -4.284 -7.923 1081 1HB LYS 133 2HB LYS 133 -12.961 -1.667 -8.112 1082 2HB LYS 133 1HB LYS 133 -14.279 -1.755 -9.273 1083 1HG LYS 133 2HG LYS 133 -14.419 -2.676 -6.409 1084 2HG LYS 133 1HG LYS 133 -15.047 -1.148 -7.029 1085 1HD LYS 133 2HD LYS 133 -16.969 -2.249 -7.337 1086 2HD LYS 133 1HD LYS 133 -16.171 -3.001 -8.719 1087 1HE LYS 133 2HE LYS 133 -15.706 -4.953 -7.551 1088 2HE LYS 133 1HE LYS 133 -15.860 -4.165 -5.981 1089 1HZ LYS 133 1HZ LYS 133 -17.754 -5.549 -6.330 1090 2HZ LYS 133 2HZ LYS 133 -18.060 -4.865 -7.847 1091 3HZ LYS 133 3HZ LYS 133 -18.267 -3.940 -6.446 1092 H LYS 134 H LYS 134 -13.482 -2.937 -11.223 1093 HA LYS 134 HA LYS 134 -15.991 -4.075 -11.930 1094 1HB LYS 134 2HB LYS 134 -13.751 -2.806 -13.472 1095 2HB LYS 134 1HB LYS 134 -15.071 -3.598 -14.321 1096 1HG LYS 134 2HG LYS 134 -15.377 -1.161 -14.075 1097 2HG LYS 134 1HG LYS 134 -16.673 -2.105 -13.340 1098 1HD LYS 134 2HD LYS 134 -15.984 -1.613 -11.185 1099 2HD LYS 134 1HD LYS 134 -14.336 -1.243 -11.690 1100 1HE LYS 134 2HE LYS 134 -15.050 0.885 -11.385 1101 2HE LYS 134 1HE LYS 134 -15.631 0.669 -13.035 1102 1HZ LYS 134 1HZ LYS 134 -17.714 -0.254 -11.700 1103 2HZ LYS 134 2HZ LYS 134 -17.540 1.383 -12.093 1104 3HZ LYS 134 3HZ LYS 134 -17.131 0.837 -10.544 1105 H GLU 135 H GLU 135 -12.702 -5.187 -12.014 1106 HA GLU 135 HA GLU 135 -13.316 -7.458 -13.708 1107 1HB GLU 135 2HB GLU 135 -10.807 -6.610 -12.259 1108 2HB GLU 135 1HB GLU 135 -10.922 -8.085 -13.210 1109 1HG GLU 135 2HG GLU 135 -11.693 -5.519 -14.491 1110 2HG GLU 135 1HG GLU 135 -9.981 -5.850 -14.228 1111 H LYS 136 H LYS 136 -13.266 -6.720 -10.340 1112 HA LYS 136 HA LYS 136 -13.620 -7.962 -8.468 1113 1HB LYS 136 2HB LYS 136 -14.791 -9.980 -10.389 1114 2HB LYS 136 1HB LYS 136 -15.114 -9.866 -8.665 1115 1HG LYS 136 2HG LYS 136 -15.671 -7.381 -10.053 1116 2HG LYS 136 1HG LYS 136 -16.600 -8.736 -10.695 1117 1HD LYS 136 2HD LYS 136 -16.585 -8.826 -7.823 1118 2HD LYS 136 1HD LYS 136 -17.118 -7.237 -8.374 1119 1HE LYS 136 2HE LYS 136 -18.254 -9.887 -9.260 1120 2HE LYS 136 1HE LYS 136 -18.999 -8.783 -8.105 1121 1HZ LYS 136 1HZ LYS 136 -19.673 -7.398 -9.729 1122 2HZ LYS 136 2HZ LYS 136 -19.567 -8.783 -10.694 1123 3HZ LYS 136 3HZ LYS 136 -18.307 -7.655 -10.693 1124 H LEU 137 H LEU 137 -11.081 -8.110 -9.114 1125 HA LEU 137 HA LEU 137 -9.947 -10.556 -9.786 1126 1HB LEU 137 2HB LEU 137 -9.021 -8.189 -8.225 1127 2HB LEU 137 1HB LEU 137 -8.045 -9.645 -8.196 1128 HG LEU 137 HG LEU 137 -8.890 -8.505 -10.829 1129 1HD1 LEU 137 1HD1 LEU 137 -8.007 -6.574 -9.743 1130 2HD1 LEU 137 2HD1 LEU 137 -6.763 -7.198 -10.825 1131 3HD1 LEU 137 3HD1 LEU 137 -6.649 -7.492 -9.091 1132 1HD2 LEU 137 1HD2 LEU 137 -6.926 -9.580 -11.626 1133 2HD2 LEU 137 2HD2 LEU 137 -7.758 -10.732 -10.582 1134 3HD2 LEU 137 3HD2 LEU 137 -6.341 -9.868 -9.987 1135 H ASN 138 H ASN 138 -9.851 -9.293 -6.460 1136 HA ASN 138 HA ASN 138 -10.722 -11.905 -5.466 1137 1HB ASN 138 2HB ASN 138 -8.089 -10.583 -4.921 1138 2HB ASN 138 1HB ASN 138 -8.832 -11.588 -3.679 1139 1HD2 ASN 138 1HD2 ASN 138 -6.379 -12.151 -4.891 1140 2HD2 ASN 138 2HD2 ASN 138 -6.540 -13.613 -5.798 1141 H ILE 139 H ILE 139 -9.364 -8.933 -4.036 1142 HA ILE 139 HA ILE 139 -11.021 -8.891 -1.801 1143 HB ILE 139 HB ILE 139 -10.466 -6.469 -1.633 1144 1HG1 ILE 139 2HG1 ILE 139 -9.050 -6.984 -4.259 1145 2HG1 ILE 139 1HG1 ILE 139 -10.442 -5.933 -4.023 1146 1HG2 ILE 139 1HG2 ILE 139 -8.716 -7.317 -0.563 1147 2HG2 ILE 139 2HG2 ILE 139 -7.809 -7.234 -2.073 1148 3HG2 ILE 139 3HG2 ILE 139 -8.669 -8.711 -1.641 1149 1HD1 ILE 139 1HD1 ILE 139 -7.625 -5.404 -3.627 1150 2HD1 ILE 139 2HD1 ILE 139 -8.595 -4.973 -2.217 1151 3HD1 ILE 139 3HD1 ILE 139 -8.977 -4.284 -3.796 1152 H TRP 140 H TRP 140 -11.520 -7.546 -5.018 1153 HA TRP 140 HA TRP 140 -14.094 -6.433 -4.189 1154 1HB TRP 140 2HB TRP 140 -12.628 -6.204 -6.825 1155 2HB TRP 140 1HB TRP 140 -14.130 -5.384 -6.418 1156 HD1 TRP 140 HD TRP 140 -10.831 -4.389 -6.901 1157 HE1 TRP 140 1HE TRP 140 -10.079 -2.477 -5.353 1158 HE3 TRP 140 3HE TRP 140 -14.488 -4.734 -3.340 1159 HZ2 TRP 140 2HZ TRP 140 -10.922 -1.273 -2.945 1160 HZ3 TRP 140 3HZ TRP 140 -14.441 -3.162 -1.448 1161 HH2 TRP 140 HH TRP 140 -12.694 -1.468 -1.256 1162 H SER 141 H SER 141 -13.871 -9.249 -4.204 1163 HA SER 141 HA SER 141 -15.737 -9.907 -6.385 1164 1HB SER 141 2HB SER 141 -14.060 -12.095 -5.283 1165 2HB SER 141 1HB SER 141 -14.625 -11.827 -6.932 1166 HG SER 141 HG SER 141 -12.320 -11.533 -6.590 1167 H GLU 142 H GLU 142 -16.276 -9.026 -3.659 1168 HA GLU 142 HA GLU 142 -18.044 -11.197 -2.900 1169 1HB GLU 142 2HB GLU 142 -17.304 -10.978 -0.479 1170 2HB GLU 142 1HB GLU 142 -16.212 -11.839 -1.555 1171 1HG GLU 142 2HG GLU 142 -14.614 -10.526 -0.755 1172 2HG GLU 142 1HG GLU 142 -15.329 -9.242 -1.729 1173 H ASP 143 H ASP 143 -18.301 -8.478 -3.953 1174 HA ASP 143 HA ASP 143 -19.584 -7.089 -1.709 1175 1HB ASP 143 2HB ASP 143 -17.891 -6.057 -3.507 1176 2HB ASP 143 1HB ASP 143 -19.395 -5.815 -4.390 1177 H ASN 144 H ASN 144 -21.739 -6.640 -1.672 1178 HA ASN 144 HA ASN 144 -23.365 -7.977 -3.718 1179 1HB ASN 144 2HB ASN 144 -23.705 -7.439 -0.817 1180 2HB ASN 144 1HB ASN 144 -25.162 -7.397 -1.806 1181 1HD2 ASN 144 1HD2 ASN 144 -25.886 -9.271 -2.788 1182 2HD2 ASN 144 2HD2 ASN 144 -25.303 -10.835 -2.340 1183 H ALA 145 H ALA 145 -23.040 -4.930 -1.949 1184 HA ALA 145 HA ALA 145 -24.820 -3.669 -3.933 1185 1HB ALA 145 1HB ALA 145 -25.764 -2.390 -2.330 1186 2HB ALA 145 2HB ALA 145 -24.259 -2.224 -1.424 1187 3HB ALA 145 3HB ALA 145 -25.222 -3.694 -1.273 1188 H ASP 146 H ASP 146 -23.849 -2.388 -5.346 1189 HA ASP 146 HA ASP 146 -21.102 -1.625 -5.032 1190 1HB ASP 146 2HB ASP 146 -22.514 -2.175 -7.208 1191 2HB ASP 146 1HB ASP 146 -22.820 -0.442 -7.167 1192 H SER 147 H SER 147 -24.061 0.298 -5.580 1193 HA SER 147 HA SER 147 -23.079 2.298 -3.698 1194 1HB SER 147 2HB SER 147 -24.005 3.144 -6.444 1195 2HB SER 147 1HB SER 147 -23.226 4.130 -5.206 1196 HG SER 147 HG SER 147 -21.378 3.536 -5.981 1197 H GLY 148 H GLY 148 -24.676 2.915 -2.398 1198 1HA GLY 148 2HA GLY 148 -27.198 3.765 -3.083 1199 2HA GLY 148 1HA GLY 148 -27.359 2.031 -2.849 1200 H GLN 149 H GLN 149 -28.102 1.531 -0.909 1201 HA GLN 149 HA GLN 149 -28.081 3.374 1.262 1202 1HB GLN 149 2HB GLN 149 -29.047 0.593 0.820 1203 2HB GLN 149 1HB GLN 149 -28.809 1.114 2.482 1204 1HG GLN 149 2HG GLN 149 -30.307 3.012 2.093 1205 2HG GLN 149 1HG GLN 149 -30.561 2.460 0.439 1206 1HE2 GLN 149 1HE2 GLN 149 -32.818 2.630 1.435 1207 2HE2 GLN 149 2HE2 GLN 149 -33.453 1.172 2.110 Start of MODEL 5 1 1H ALA 1 1HT ALA 1 13.981 27.021 -14.915 2 2H ALA 1 2HT ALA 1 15.372 27.006 -13.909 3 3H ALA 1 3HT ALA 1 13.804 26.955 -13.211 4 HA ALA 1 HA ALA 1 13.513 24.856 -14.567 5 1HB ALA 1 1HB ALA 1 15.569 25.167 -15.878 6 2HB ALA 1 2HB ALA 1 15.566 23.641 -14.995 7 3HB ALA 1 3HB ALA 1 16.521 25.001 -14.404 8 H THR 2 H THR 2 14.020 22.785 -13.399 9 HA THR 2 HA THR 2 15.098 22.946 -10.749 10 HB THR 2 HB THR 2 12.956 23.983 -10.291 11 HG1 THR 2 1HG THR 2 12.888 21.280 -9.444 12 1HG2 THR 2 1HG2 THR 2 11.937 22.233 -12.236 13 2HG2 THR 2 2HG2 THR 2 11.071 23.458 -11.308 14 3HG2 THR 2 3HG2 THR 2 11.171 21.803 -10.708 15 H SER 3 H SER 3 15.181 20.888 -9.690 16 HA SER 3 HA SER 3 15.664 18.735 -11.422 17 1HB SER 3 2HB SER 3 15.555 19.110 -8.475 18 2HB SER 3 1HB SER 3 15.433 17.456 -9.074 19 HG SER 3 HG SER 3 17.577 19.196 -9.089 20 H THR 4 H THR 4 14.455 17.062 -12.119 21 HA THR 4 HA THR 4 11.591 17.188 -11.610 22 HB THR 4 HB THR 4 11.629 15.300 -13.393 23 HG1 THR 4 1HG THR 4 13.976 15.065 -13.143 24 1HG2 THR 4 1HG2 THR 4 12.702 17.860 -14.478 25 2HG2 THR 4 2HG2 THR 4 11.111 17.816 -13.718 26 3HG2 THR 4 3HG2 THR 4 11.446 16.802 -15.121 27 H LYS 5 H LYS 5 10.360 15.251 -11.130 28 HA LYS 5 HA LYS 5 9.867 13.446 -9.838 29 1HB LYS 5 2HB LYS 5 12.526 12.762 -10.992 30 2HB LYS 5 1HB LYS 5 11.924 11.761 -9.678 31 1HG LYS 5 2HG LYS 5 10.177 10.938 -10.918 32 2HG LYS 5 1HG LYS 5 10.138 12.339 -11.990 33 1HD LYS 5 2HD LYS 5 11.051 10.722 -13.362 34 2HD LYS 5 1HD LYS 5 12.496 11.503 -12.719 35 1HE LYS 5 2HE LYS 5 11.396 9.222 -11.182 36 2HE LYS 5 1HE LYS 5 12.157 8.852 -12.729 37 1HZ LYS 5 1HZ LYS 5 13.351 9.962 -10.289 38 2HZ LYS 5 2HZ LYS 5 14.028 10.376 -11.783 39 3HZ LYS 5 3HZ LYS 5 13.935 8.752 -11.318 40 H LYS 6 H LYS 6 9.750 14.866 -7.997 41 HA LYS 6 HA LYS 6 12.044 14.702 -6.170 42 1HB LYS 6 2HB LYS 6 10.997 16.947 -6.784 43 2HB LYS 6 1HB LYS 6 9.609 16.446 -5.828 44 1HG LYS 6 2HG LYS 6 11.495 16.009 -4.015 45 2HG LYS 6 1HG LYS 6 12.325 17.246 -4.961 46 1HD LYS 6 2HD LYS 6 10.657 18.842 -4.545 47 2HD LYS 6 1HD LYS 6 9.500 17.619 -4.013 48 1HE LYS 6 2HE LYS 6 10.119 18.337 -1.962 49 2HE LYS 6 1HE LYS 6 11.452 17.211 -2.215 50 1HZ LYS 6 1HZ LYS 6 12.625 19.052 -1.667 51 2HZ LYS 6 2HZ LYS 6 11.456 20.129 -2.243 52 3HZ LYS 6 3HZ LYS 6 12.494 19.350 -3.328 53 H LEU 7 H LEU 7 10.308 12.454 -6.621 54 HA LEU 7 HA LEU 7 9.491 12.001 -3.864 55 1HB LEU 7 2HB LEU 7 7.583 12.738 -5.679 56 2HB LEU 7 1HB LEU 7 7.527 10.990 -5.802 57 HG LEU 7 HG LEU 7 7.322 11.017 -3.229 58 1HD1 LEU 7 1HD1 LEU 7 7.877 13.270 -2.746 59 2HD1 LEU 7 2HD1 LEU 7 6.151 13.092 -2.428 60 3HD1 LEU 7 3HD1 LEU 7 6.699 13.880 -3.907 61 1HD2 LEU 7 1HD2 LEU 7 4.800 11.829 -3.621 62 2HD2 LEU 7 2HD2 LEU 7 5.404 10.263 -4.162 63 3HD2 LEU 7 3HD2 LEU 7 5.298 11.608 -5.298 64 H HIS 8 H HIS 8 11.078 10.476 -3.613 65 HA HIS 8 HA HIS 8 10.816 8.059 -5.277 66 1HB HIS 8 2HB HIS 8 13.217 7.669 -4.989 67 2HB HIS 8 1HB HIS 8 12.924 9.226 -5.756 68 HD1 HIS 8 1HD HIS 8 13.238 11.361 -4.193 69 HD2 HIS 8 2HD HIS 8 14.642 7.769 -2.648 70 HE1 HIS 8 1HE HIS 8 14.758 11.996 -2.293 71 HE2 HIS 8 2HE HIS 8 15.658 9.809 -1.424 72 H LYS 9 H LYS 9 11.714 6.080 -4.146 73 HA LYS 9 HA LYS 9 10.554 5.972 -1.479 74 1HB LYS 9 2HB LYS 9 11.742 3.666 -3.012 75 2HB LYS 9 1HB LYS 9 10.556 3.611 -1.716 76 1HG LYS 9 2HG LYS 9 8.831 3.972 -3.102 77 2HG LYS 9 1HG LYS 9 9.725 5.134 -4.082 78 1HD LYS 9 2HD LYS 9 11.042 2.985 -4.839 79 2HD LYS 9 1HD LYS 9 9.568 2.167 -4.318 80 1HE LYS 9 2HE LYS 9 9.452 2.673 -6.686 81 2HE LYS 9 1HE LYS 9 8.256 3.620 -5.803 82 1HZ LYS 9 1HZ LYS 9 10.914 4.736 -6.443 83 2HZ LYS 9 2HZ LYS 9 9.484 5.558 -6.069 84 3HZ LYS 9 3HZ LYS 9 9.652 4.792 -7.568 85 H GLU 10 H GLU 10 11.672 4.982 0.312 86 HA GLU 10 HA GLU 10 14.408 4.336 0.290 87 1HB GLU 10 2HB GLU 10 14.361 6.904 -0.129 88 2HB GLU 10 1HB GLU 10 13.973 7.009 1.583 89 1HG GLU 10 2HG GLU 10 16.175 7.061 1.894 90 2HG GLU 10 1HG GLU 10 16.121 5.325 1.588 91 H ALA 11 H ALA 11 14.694 3.062 2.002 92 HA ALA 11 HA ALA 11 13.527 3.761 4.563 93 1HB ALA 11 1HB ALA 11 11.732 2.494 3.513 94 2HB ALA 11 2HB ALA 11 12.417 1.605 4.871 95 3HB ALA 11 3HB ALA 11 12.833 1.152 3.221 96 H ALA 12 H ALA 12 14.443 0.459 3.803 97 HA ALA 12 HA ALA 12 17.150 0.432 4.136 98 1HB ALA 12 1HB ALA 12 16.692 -0.276 6.828 99 2HB ALA 12 2HB ALA 12 15.913 1.285 6.569 100 3HB ALA 12 3HB ALA 12 17.626 1.082 6.204 101 H THR 13 H THR 13 14.999 -1.258 6.399 102 HA THR 13 HA THR 13 14.991 -3.630 4.714 103 HB THR 13 HB THR 13 16.306 -3.550 7.432 104 HG1 THR 13 1HG THR 13 17.206 -4.228 4.837 105 1HG2 THR 13 1HG2 THR 13 16.666 -5.952 7.218 106 2HG2 THR 13 2HG2 THR 13 15.651 -5.974 5.775 107 3HG2 THR 13 3HG2 THR 13 14.951 -5.557 7.340 108 H LEU 14 H LEU 14 13.346 -5.072 5.187 109 HA LEU 14 HA LEU 14 11.303 -4.038 7.011 110 1HB LEU 14 2HB LEU 14 10.534 -4.396 4.767 111 2HB LEU 14 1HB LEU 14 11.193 -6.017 4.741 112 HG LEU 14 HG LEU 14 8.626 -5.630 5.044 113 1HD1 LEU 14 1HD1 LEU 14 9.916 -7.785 5.122 114 2HD1 LEU 14 2HD1 LEU 14 8.437 -7.748 6.083 115 3HD1 LEU 14 3HD1 LEU 14 10.005 -7.581 6.871 116 1HD2 LEU 14 1HD2 LEU 14 9.246 -4.152 7.124 117 2HD2 LEU 14 2HD2 LEU 14 9.288 -5.712 7.944 118 3HD2 LEU 14 3HD2 LEU 14 7.813 -5.181 7.137 119 H ILE 15 H ILE 15 11.170 -4.902 8.975 120 HA ILE 15 HA ILE 15 12.553 -7.270 9.714 121 HB ILE 15 HB ILE 15 10.440 -5.718 11.220 122 1HG1 ILE 15 2HG1 ILE 15 12.819 -5.294 12.492 123 2HG1 ILE 15 1HG1 ILE 15 13.342 -5.399 10.814 124 1HG2 ILE 15 1HG2 ILE 15 11.854 -6.936 13.147 125 2HG2 ILE 15 2HG2 ILE 15 11.965 -8.159 11.882 126 3HG2 ILE 15 3HG2 ILE 15 10.385 -7.617 12.448 127 1HD1 ILE 15 1HD1 ILE 15 12.799 -3.099 11.692 128 2HD1 ILE 15 2HD1 ILE 15 11.109 -3.603 11.697 129 3HD1 ILE 15 3HD1 ILE 15 12.013 -3.568 10.185 130 H LYS 16 H LYS 16 9.050 -6.553 9.673 131 HA LYS 16 HA LYS 16 8.320 -8.941 8.390 132 1HB LYS 16 2HB LYS 16 9.106 -9.997 10.465 133 2HB LYS 16 1HB LYS 16 7.998 -9.000 11.396 134 1HG LYS 16 2HG LYS 16 6.734 -10.868 11.262 135 2HG LYS 16 1HG LYS 16 6.235 -10.115 9.746 136 1HD LYS 16 2HD LYS 16 8.159 -11.420 8.677 137 2HD LYS 16 1HD LYS 16 8.193 -12.353 10.175 138 1HE LYS 16 2HE LYS 16 5.924 -13.062 9.851 139 2HE LYS 16 1HE LYS 16 5.736 -11.987 8.467 140 1HZ LYS 16 1HZ LYS 16 7.904 -13.916 8.301 141 2HZ LYS 16 2HZ LYS 16 6.817 -13.403 7.111 142 3HZ LYS 16 3HZ LYS 16 6.340 -14.560 8.248 143 H ALA 17 H ALA 17 6.160 -8.973 7.869 144 HA ALA 17 HA ALA 17 4.720 -6.530 8.316 145 1HB ALA 17 1HB ALA 17 3.769 -9.035 6.935 146 2HB ALA 17 2HB ALA 17 4.674 -7.738 6.155 147 3HB ALA 17 3HB ALA 17 3.066 -7.422 6.809 148 H ILE 18 H ILE 18 2.656 -6.326 9.279 149 HA ILE 18 HA ILE 18 2.153 -8.326 11.379 150 HB ILE 18 HB ILE 18 1.202 -5.463 11.335 151 1HG1 ILE 18 2HG1 ILE 18 3.291 -6.244 13.259 152 2HG1 ILE 18 1HG1 ILE 18 3.819 -6.218 11.580 153 1HG2 ILE 18 1HG2 ILE 18 -0.159 -6.899 12.715 154 2HG2 ILE 18 2HG2 ILE 18 0.826 -5.860 13.745 155 3HG2 ILE 18 3HG2 ILE 18 1.274 -7.549 13.510 156 1HD1 ILE 18 1HD1 ILE 18 3.198 -3.921 11.359 157 2HD1 ILE 18 2HD1 ILE 18 4.200 -4.098 12.800 158 3HD1 ILE 18 3HD1 ILE 18 2.452 -3.922 12.957 159 H ASP 19 H ASP 19 0.533 -6.252 8.995 160 HA ASP 19 HA ASP 19 -1.540 -8.236 8.666 161 1HB ASP 19 2HB ASP 19 -2.058 -6.418 10.594 162 2HB ASP 19 1HB ASP 19 -2.666 -5.547 9.189 163 H GLY 20 H GLY 20 0.233 -7.621 6.787 164 1HA GLY 20 2HA GLY 20 0.321 -7.088 4.551 165 2HA GLY 20 1HA GLY 20 -1.381 -6.667 4.651 166 H ASP 21 H ASP 21 -1.728 -4.526 5.962 167 HA ASP 21 HA ASP 21 -0.202 -2.506 4.566 168 1HB ASP 21 2HB ASP 21 -1.809 -0.935 5.708 169 2HB ASP 21 1HB ASP 21 -2.569 -2.147 4.679 170 H THR 22 H THR 22 -0.602 -3.698 7.841 171 HA THR 22 HA THR 22 1.239 -1.678 8.861 172 HB THR 22 HB THR 22 0.277 -3.767 10.703 173 HG1 THR 22 1HG THR 22 -1.504 -2.086 9.300 174 1HG2 THR 22 1HG2 THR 22 0.116 -2.087 12.235 175 2HG2 THR 22 2HG2 THR 22 -0.278 -0.866 11.024 176 3HG2 THR 22 3HG2 THR 22 1.380 -1.446 11.185 177 H VAL 23 H VAL 23 3.311 -2.153 8.446 178 HA VAL 23 HA VAL 23 4.268 -4.825 9.220 179 HB VAL 23 HB VAL 23 5.832 -4.842 7.342 180 1HG1 VAL 23 1HG1 VAL 23 3.290 -4.330 5.933 181 2HG1 VAL 23 2HG1 VAL 23 3.230 -5.500 7.252 182 3HG1 VAL 23 3HG1 VAL 23 4.341 -5.746 5.904 183 1HG2 VAL 23 1HG2 VAL 23 5.776 -3.212 5.587 184 2HG2 VAL 23 2HG2 VAL 23 5.984 -2.360 7.119 185 3HG2 VAL 23 3HG2 VAL 23 4.406 -2.386 6.330 186 H LYS 24 H LYS 24 6.303 -4.922 10.143 187 HA LYS 24 HA LYS 24 7.278 -2.408 11.221 188 1HB LYS 24 2HB LYS 24 7.481 -5.251 11.931 189 2HB LYS 24 1HB LYS 24 8.970 -4.349 12.178 190 1HG LYS 24 2HG LYS 24 7.225 -2.654 13.310 191 2HG LYS 24 1HG LYS 24 6.396 -4.185 13.599 192 1HD LYS 24 2HD LYS 24 7.829 -4.736 15.215 193 2HD LYS 24 1HD LYS 24 9.215 -4.418 14.171 194 1HE LYS 24 2HE LYS 24 9.064 -2.033 14.700 195 2HE LYS 24 1HE LYS 24 7.676 -2.351 15.740 196 1HZ LYS 24 1HZ LYS 24 10.065 -2.178 16.730 197 2HZ LYS 24 2HZ LYS 24 10.180 -3.794 16.246 198 3HZ LYS 24 3HZ LYS 24 8.974 -3.321 17.333 199 H LEU 25 H LEU 25 8.556 -1.276 9.904 200 HA LEU 25 HA LEU 25 10.635 -2.712 8.391 201 1HB LEU 25 2HB LEU 25 8.713 -0.933 7.491 202 2HB LEU 25 1HB LEU 25 10.157 0.056 7.609 203 HG LEU 25 HG LEU 25 10.234 -2.576 6.172 204 1HD1 LEU 25 1HD1 LEU 25 8.711 -1.807 4.731 205 2HD1 LEU 25 2HD1 LEU 25 9.979 -0.706 4.189 206 3HD1 LEU 25 3HD1 LEU 25 8.790 -0.167 5.376 207 1HD2 LEU 25 1HD2 LEU 25 12.218 -1.854 5.337 208 2HD2 LEU 25 2HD2 LEU 25 12.222 -0.941 6.847 209 3HD2 LEU 25 3HD2 LEU 25 11.733 -0.159 5.344 210 H MET 26 H MET 26 12.708 -2.308 8.800 211 HA MET 26 HA MET 26 13.408 -0.576 10.984 212 1HB MET 26 2HB MET 26 14.468 -2.830 10.471 213 2HB MET 26 1HB MET 26 15.307 -2.031 9.147 214 1HG MET 26 2HG MET 26 16.522 -0.650 10.617 215 2HG MET 26 1HG MET 26 15.493 -1.073 11.985 216 1HE MET 26 1HE MET 26 18.887 -1.369 10.870 217 2HE MET 26 2HE MET 26 18.258 -2.293 9.505 218 3HE MET 26 3HE MET 26 19.297 -3.076 10.695 219 H TYR 27 H TYR 27 13.277 1.546 10.537 220 HA TYR 27 HA TYR 27 14.511 2.540 8.067 221 1HB TYR 27 2HB TYR 27 12.130 3.157 8.579 222 2HB TYR 27 1HB TYR 27 12.716 4.040 9.983 223 HD1 TYR 27 1HD TYR 27 14.331 3.890 6.645 224 HD2 TYR 27 2HD TYR 27 12.101 6.238 9.404 225 HE1 TYR 27 1HE TYR 27 14.694 5.875 5.240 226 HE2 TYR 27 2HE TYR 27 12.457 8.230 8.007 227 HH TYR 27 HH TYR 27 13.445 8.127 4.875 228 H LYS 28 H LYS 28 16.209 3.898 8.089 229 HA LYS 28 HA LYS 28 18.209 4.667 8.868 230 1HB LYS 28 2HB LYS 28 18.019 6.677 10.079 231 2HB LYS 28 1HB LYS 28 16.539 6.545 9.142 232 1HG LYS 28 2HG LYS 28 16.115 5.337 11.689 233 2HG LYS 28 1HG LYS 28 16.832 6.931 11.921 234 1HD LYS 28 2HD LYS 28 15.063 8.021 10.916 235 2HD LYS 28 1HD LYS 28 14.579 6.599 9.991 236 1HE LYS 28 2HE LYS 28 13.502 5.631 11.804 237 2HE LYS 28 1HE LYS 28 14.402 6.592 12.976 238 1HZ LYS 28 1HZ LYS 28 12.133 7.358 12.816 239 2HZ LYS 28 2HZ LYS 28 12.287 7.596 11.148 240 3HZ LYS 28 3HZ LYS 28 13.176 8.553 12.223 241 H GLY 29 H GLY 29 17.380 2.173 10.164 242 1HA GLY 29 2HA GLY 29 18.674 0.891 11.651 243 2HA GLY 29 1HA GLY 29 19.214 2.369 12.424 244 H GLN 30 H GLN 30 15.805 2.050 11.929 245 HA GLN 30 HA GLN 30 15.446 0.968 14.622 246 1HB GLN 30 2HB GLN 30 13.983 2.745 15.327 247 2HB GLN 30 1HB GLN 30 15.520 3.438 14.833 248 1HG GLN 30 2HG GLN 30 14.628 4.423 12.957 249 2HG GLN 30 1HG GLN 30 13.279 3.294 12.873 250 1HE2 GLN 30 1HE2 GLN 30 14.621 5.713 15.098 251 2HE2 GLN 30 2HE2 GLN 30 13.100 6.410 15.528 252 H ALA 31 H ALA 31 13.758 -0.364 14.814 253 HA ALA 31 HA ALA 31 12.209 -0.970 12.459 254 1HB ALA 31 1HB ALA 31 12.238 -2.191 15.214 255 2HB ALA 31 2HB ALA 31 13.025 -2.811 13.763 256 3HB ALA 31 3HB ALA 31 11.265 -2.787 13.868 257 H MET 32 H MET 32 10.733 0.607 12.051 258 HA MET 32 HA MET 32 8.841 1.281 14.202 259 1HB MET 32 2HB MET 32 8.330 3.308 12.972 260 2HB MET 32 1HB MET 32 10.066 3.194 13.225 261 1HG MET 32 2HG MET 32 10.480 2.679 10.989 262 2HG MET 32 1HG MET 32 8.798 2.248 10.685 263 1HE MET 32 1HE MET 32 11.047 4.849 12.023 264 2HE MET 32 2HE MET 32 9.818 6.060 12.390 265 3HE MET 32 3HE MET 32 10.830 6.237 10.957 266 H THR 33 H THR 33 6.592 1.378 13.703 267 HA THR 33 HA THR 33 5.769 -0.720 11.913 268 HB THR 33 HB THR 33 3.988 1.154 13.471 269 HG1 THR 33 1HG THR 33 5.494 0.186 14.874 270 1HG2 THR 33 1HG2 THR 33 3.604 -1.587 12.325 271 2HG2 THR 33 2HG2 THR 33 2.642 -0.133 12.058 272 3HG2 THR 33 3HG2 THR 33 2.587 -0.952 13.619 273 H PHE 34 H PHE 34 5.599 -0.355 9.809 274 HA PHE 34 HA PHE 34 4.851 2.301 8.847 275 1HB PHE 34 2HB PHE 34 6.226 -0.064 7.661 276 2HB PHE 34 1HB PHE 34 5.340 1.003 6.576 277 HD1 PHE 34 2HD PHE 34 8.154 0.768 8.922 278 HD2 PHE 34 1HD PHE 34 6.133 3.196 6.071 279 HE1 PHE 34 2HE PHE 34 10.076 2.304 8.872 280 HE2 PHE 34 1HE PHE 34 8.050 4.736 6.015 281 HZ PHE 34 HZ PHE 34 10.026 4.291 7.419 282 H ARG 35 H ARG 35 2.914 2.753 8.006 283 HA ARG 35 HA ARG 35 1.084 0.505 7.479 284 1HB ARG 35 2HB ARG 35 0.756 2.956 9.050 285 2HB ARG 35 1HB ARG 35 -0.552 2.674 7.911 286 1HG ARG 35 2HG ARG 35 0.300 0.374 9.560 287 2HG ARG 35 1HG ARG 35 -0.546 1.687 10.382 288 1HD ARG 35 2HD ARG 35 -1.570 0.361 7.880 289 2HD ARG 35 1HD ARG 35 -2.005 -0.169 9.505 290 HE ARG 35 HE ARG 35 -2.964 2.166 8.121 291 1HH1 ARG 35 1HH1 ARG 35 -2.470 0.678 11.240 292 2HH1 ARG 35 2HH1 ARG 35 -3.693 1.620 12.022 293 1HH2 ARG 35 1HH2 ARG 35 -4.573 3.406 9.150 294 2HH2 ARG 35 2HH2 ARG 35 -4.888 3.168 10.836 295 H LEU 36 H LEU 36 0.439 0.306 5.439 296 HA LEU 36 HA LEU 36 1.252 1.960 3.362 297 1HB LEU 36 2HB LEU 36 -0.596 -0.287 3.692 298 2HB LEU 36 1HB LEU 36 -1.036 0.792 2.383 299 HG LEU 36 HG LEU 36 1.656 -0.537 2.678 300 1HD1 LEU 36 1HD1 LEU 36 -0.801 -1.267 1.129 301 2HD1 LEU 36 2HD1 LEU 36 0.208 -2.284 2.159 302 3HD1 LEU 36 3HD1 LEU 36 0.804 -1.754 0.585 303 1HD2 LEU 36 1HD2 LEU 36 1.856 0.199 0.273 304 2HD2 LEU 36 2HD2 LEU 36 1.928 1.483 1.480 305 3HD2 LEU 36 3HD2 LEU 36 0.447 1.222 0.561 306 H LEU 37 H LEU 37 0.655 3.931 2.773 307 HA LEU 37 HA LEU 37 -1.653 5.177 3.960 308 1HB LEU 37 2HB LEU 37 0.784 6.024 2.689 309 2HB LEU 37 1HB LEU 37 -0.580 6.867 1.979 310 HG LEU 37 HG LEU 37 0.094 6.798 4.920 311 1HD1 LEU 37 1HD1 LEU 37 0.198 9.190 3.119 312 2HD1 LEU 37 2HD1 LEU 37 1.587 8.118 3.305 313 3HD1 LEU 37 3HD1 LEU 37 0.928 8.962 4.709 314 1HD2 LEU 37 1HD2 LEU 37 -1.773 8.054 5.343 315 2HD2 LEU 37 2HD2 LEU 37 -2.373 7.030 4.039 316 3HD2 LEU 37 3HD2 LEU 37 -1.860 8.682 3.696 317 H LEU 38 H LEU 38 -3.579 5.574 3.061 318 HA LEU 38 HA LEU 38 -5.317 5.555 1.603 319 1HB LEU 38 2HB LEU 38 -3.015 6.059 -0.247 320 2HB LEU 38 1HB LEU 38 -4.631 5.831 -0.888 321 HG LEU 38 HG LEU 38 -3.747 7.996 1.020 322 1HD1 LEU 38 1HD1 LEU 38 -4.588 9.405 -0.956 323 2HD1 LEU 38 2HD1 LEU 38 -4.425 7.922 -1.897 324 3HD1 LEU 38 3HD1 LEU 38 -3.015 8.620 -1.100 325 1HD2 LEU 38 1HD2 LEU 38 -5.889 7.816 1.724 326 2HD2 LEU 38 2HD2 LEU 38 -6.419 6.995 0.256 327 3HD2 LEU 38 3HD2 LEU 38 -6.204 8.745 0.259 328 H VAL 39 H VAL 39 -4.062 3.034 2.394 329 HA VAL 39 HA VAL 39 -5.267 1.365 0.324 330 HB VAL 39 HB VAL 39 -2.626 0.482 1.430 331 1HG1 VAL 39 1HG1 VAL 39 -2.637 -0.701 -0.833 332 2HG1 VAL 39 2HG1 VAL 39 -4.333 -0.225 -0.932 333 3HG1 VAL 39 3HG1 VAL 39 -3.783 -1.261 0.386 334 1HG2 VAL 39 1HG2 VAL 39 -1.832 2.417 0.462 335 2HG2 VAL 39 2HG2 VAL 39 -3.086 2.439 -0.778 336 3HG2 VAL 39 3HG2 VAL 39 -1.753 1.291 -0.893 337 H ASP 40 H ASP 40 -5.827 -0.761 1.063 338 HA ASP 40 HA ASP 40 -5.725 -1.125 3.977 339 1HB ASP 40 2HB ASP 40 -8.027 -0.387 2.605 340 2HB ASP 40 1HB ASP 40 -8.198 -2.128 2.801 341 H THR 41 H THR 41 -4.519 -2.881 4.235 342 HA THR 41 HA THR 41 -4.875 -5.128 2.377 343 HB THR 41 HB THR 41 -2.638 -5.174 4.313 344 HG1 THR 41 1HG THR 41 -1.441 -3.703 3.035 345 1HG2 THR 41 1HG2 THR 41 -2.291 -5.422 1.382 346 2HG2 THR 41 2HG2 THR 41 -3.150 -6.706 2.234 347 3HG2 THR 41 3HG2 THR 41 -1.500 -6.290 2.698 348 H ALA 42 H ALA 42 -6.723 -5.999 3.340 349 HA ALA 42 HA ALA 42 -7.772 -7.556 4.638 350 1HB ALA 42 1HB ALA 42 -5.306 -7.787 6.337 351 2HB ALA 42 2HB ALA 42 -5.442 -8.571 4.762 352 3HB ALA 42 3HB ALA 42 -6.565 -8.989 6.055 353 H GLU 43 H GLU 43 -9.144 -7.390 6.338 354 HA GLU 43 HA GLU 43 -8.503 -5.631 8.565 355 1HB GLU 43 2HB GLU 43 -9.488 -4.122 6.899 356 2HB GLU 43 1HB GLU 43 -10.900 -5.163 6.780 357 1HG GLU 43 2HG GLU 43 -11.773 -4.448 8.746 358 2HG GLU 43 1HG GLU 43 -10.192 -4.141 9.465 359 H THR 44 H THR 44 -11.108 -7.509 7.027 360 HA THR 44 HA THR 44 -12.581 -9.031 7.850 361 HB THR 44 HB THR 44 -11.006 -9.518 10.316 362 HG1 THR 44 1HG THR 44 -9.385 -10.575 9.082 363 1HG2 THR 44 1HG2 THR 44 -12.878 -10.952 8.962 364 2HG2 THR 44 2HG2 THR 44 -11.720 -11.617 10.113 365 3HG2 THR 44 3HG2 THR 44 -11.376 -11.671 8.384 366 H LYS 45 H LYS 45 -14.281 -7.670 8.312 367 HA LYS 45 HA LYS 45 -14.553 -6.905 11.143 368 1HB LYS 45 2HB LYS 45 -15.903 -4.968 10.394 369 2HB LYS 45 1HB LYS 45 -14.236 -4.892 9.843 370 1HG LYS 45 2HG LYS 45 -15.095 -4.454 7.837 371 2HG LYS 45 1HG LYS 45 -15.486 -6.173 7.769 372 1HD LYS 45 2HD LYS 45 -17.582 -5.427 7.411 373 2HD LYS 45 1HD LYS 45 -17.604 -5.231 9.165 374 1HE LYS 45 2HE LYS 45 -18.416 -3.229 7.984 375 2HE LYS 45 1HE LYS 45 -16.976 -2.906 8.949 376 1HZ LYS 45 1HZ LYS 45 -17.180 -2.061 6.495 377 2HZ LYS 45 2HZ LYS 45 -16.626 -3.617 6.130 378 3HZ LYS 45 3HZ LYS 45 -15.697 -2.597 7.107 379 H HIS 46 H HIS 46 -15.435 -9.290 9.535 380 HA HIS 46 HA HIS 46 -18.309 -9.094 10.151 381 1HB HIS 46 2HB HIS 46 -16.918 -10.170 7.750 382 2HB HIS 46 1HB HIS 46 -18.343 -11.037 8.316 383 HD1 HIS 46 1HD HIS 46 -17.278 -7.954 6.573 384 HD2 HIS 46 2HD HIS 46 -20.769 -9.547 8.168 385 HE1 HIS 46 1HE HIS 46 -19.145 -6.551 5.639 386 HE2 HIS 46 2HE HIS 46 -21.239 -7.477 6.689 387 H THR 47 H THR 47 -15.390 -11.021 10.232 388 HA THR 47 HA THR 47 -14.781 -12.772 11.551 389 HB THR 47 HB THR 47 -17.421 -12.904 12.929 390 HG1 THR 47 1HG THR 47 -15.573 -10.786 13.299 391 1HG2 THR 47 1HG2 THR 47 -15.034 -12.546 14.533 392 2HG2 THR 47 2HG2 THR 47 -14.938 -13.945 13.464 393 3HG2 THR 47 3HG2 THR 47 -16.274 -13.796 14.605 394 H LYS 48 H LYS 48 -15.309 -13.583 9.201 395 HA LYS 48 HA LYS 48 -17.471 -15.534 9.167 396 1HB LYS 48 2HB LYS 48 -16.686 -13.969 7.211 397 2HB LYS 48 1HB LYS 48 -15.480 -15.222 6.952 398 1HG LYS 48 2HG LYS 48 -17.332 -16.877 6.784 399 2HG LYS 48 1HG LYS 48 -18.472 -15.531 6.861 400 1HD LYS 48 2HD LYS 48 -16.851 -14.658 4.898 401 2HD LYS 48 1HD LYS 48 -16.702 -16.401 4.662 402 1HE LYS 48 2HE LYS 48 -19.347 -16.259 4.920 403 2HE LYS 48 1HE LYS 48 -19.055 -14.625 4.324 404 1HZ LYS 48 1HZ LYS 48 -17.880 -15.590 2.425 405 2HZ LYS 48 2HZ LYS 48 -19.486 -16.120 2.500 406 3HZ LYS 48 3HZ LYS 48 -18.234 -17.147 2.988 407 H LYS 49 H LYS 49 -13.936 -15.467 8.858 408 HA LYS 49 HA LYS 49 -13.505 -17.810 10.314 409 1HB LYS 49 2HB LYS 49 -12.802 -19.331 8.452 410 2HB LYS 49 1HB LYS 49 -14.535 -19.044 8.540 411 1HG LYS 49 2HG LYS 49 -14.370 -18.666 6.346 412 2HG LYS 49 1HG LYS 49 -13.755 -17.083 6.827 413 1HD LYS 49 2HD LYS 49 -12.178 -17.872 5.286 414 2HD LYS 49 1HD LYS 49 -11.449 -18.196 6.861 415 1HE LYS 49 2HE LYS 49 -12.660 -20.511 6.583 416 2HE LYS 49 1HE LYS 49 -12.606 -20.091 4.871 417 1HZ LYS 49 1HZ LYS 49 -10.124 -19.755 6.343 418 2HZ LYS 49 2HZ LYS 49 -10.386 -20.359 4.785 419 3HZ LYS 49 3HZ LYS 49 -10.640 -21.352 6.130 420 H GLY 50 H GLY 50 -12.394 -15.730 7.695 421 1HA GLY 50 2HA GLY 50 -10.160 -14.716 8.786 422 2HA GLY 50 1HA GLY 50 -9.605 -16.297 8.259 423 H VAL 51 H VAL 51 -11.596 -16.077 5.950 424 HA VAL 51 HA VAL 51 -10.041 -14.189 4.307 425 HB VAL 51 HB VAL 51 -11.138 -16.808 3.290 426 1HG1 VAL 51 1HG1 VAL 51 -10.352 -16.219 1.278 427 2HG1 VAL 51 2HG1 VAL 51 -8.867 -15.547 1.949 428 3HG1 VAL 51 3HG1 VAL 51 -10.340 -14.579 1.925 429 1HG2 VAL 51 1HG2 VAL 51 -9.521 -17.727 4.575 430 2HG2 VAL 51 2HG2 VAL 51 -8.625 -16.214 4.719 431 3HG2 VAL 51 3HG2 VAL 51 -8.476 -17.193 3.260 432 H GLU 52 H GLU 52 -12.514 -13.633 5.612 433 HA GLU 52 HA GLU 52 -14.769 -13.968 3.987 434 1HB GLU 52 2HB GLU 52 -15.646 -11.944 5.208 435 2HB GLU 52 1HB GLU 52 -15.088 -13.258 6.236 436 1HG GLU 52 2HG GLU 52 -13.589 -11.959 7.222 437 2HG GLU 52 1HG GLU 52 -12.957 -11.397 5.674 438 H LYS 53 H LYS 53 -12.150 -11.657 3.865 439 HA LYS 53 HA LYS 53 -13.138 -10.724 1.280 440 1HB LYS 53 2HB LYS 53 -12.444 -8.353 2.004 441 2HB LYS 53 1HB LYS 53 -13.988 -8.970 2.574 442 1HG LYS 53 2HG LYS 53 -13.147 -8.054 4.491 443 2HG LYS 53 1HG LYS 53 -12.589 -9.720 4.651 444 1HD LYS 53 2HD LYS 53 -10.732 -8.029 3.168 445 2HD LYS 53 1HD LYS 53 -11.018 -7.462 4.814 446 1HE LYS 53 2HE LYS 53 -10.228 -10.275 4.070 447 2HE LYS 53 1HE LYS 53 -9.112 -9.033 4.634 448 1HZ LYS 53 1HZ LYS 53 -10.284 -10.771 6.250 449 2HZ LYS 53 2HZ LYS 53 -11.435 -9.534 6.310 450 3HZ LYS 53 3HZ LYS 53 -9.832 -9.218 6.747 451 H TYR 54 H TYR 54 -11.035 -12.509 1.918 452 HA TYR 54 HA TYR 54 -8.877 -12.945 1.356 453 1HB TYR 54 2HB TYR 54 -9.438 -10.467 -0.230 454 2HB TYR 54 1HB TYR 54 -7.800 -11.109 -0.181 455 HD1 TYR 54 2HD TYR 54 -7.511 -13.599 -0.820 456 HD2 TYR 54 1HD TYR 54 -10.976 -11.315 -1.759 457 HE1 TYR 54 2HE TYR 54 -8.087 -15.210 -2.586 458 HE2 TYR 54 1HE TYR 54 -11.561 -12.921 -3.526 459 HH TYR 54 HH TYR 54 -9.418 -15.220 -4.706 460 H GLY 55 H GLY 55 -8.968 -12.234 3.844 461 1HA GLY 55 2HA GLY 55 -7.262 -9.924 4.347 462 2HA GLY 55 1HA GLY 55 -8.055 -10.918 5.560 463 H ALA 56 H ALA 56 -7.168 -13.439 4.837 464 HA ALA 56 HA ALA 56 -4.606 -13.491 6.031 465 1HB ALA 56 1HB ALA 56 -5.656 -15.451 6.465 466 2HB ALA 56 2HB ALA 56 -4.778 -15.960 5.023 467 3HB ALA 56 3HB ALA 56 -6.472 -15.488 4.902 468 H GLU 57 H GLU 57 -5.709 -13.705 2.693 469 HA GLU 57 HA GLU 57 -3.185 -14.405 1.588 470 1HB GLU 57 2HB GLU 57 -5.387 -14.764 0.459 471 2HB GLU 57 1HB GLU 57 -5.497 -13.027 0.213 472 1HG GLU 57 2HG GLU 57 -4.022 -13.036 -1.480 473 2HG GLU 57 1HG GLU 57 -3.020 -14.286 -0.744 474 H ALA 58 H ALA 58 -4.742 -11.389 2.406 475 HA ALA 58 HA ALA 58 -3.184 -9.616 0.906 476 1HB ALA 58 1HB ALA 58 -5.155 -9.435 2.931 477 2HB ALA 58 2HB ALA 58 -4.567 -8.164 1.859 478 3HB ALA 58 3HB ALA 58 -3.794 -8.426 3.422 479 H SER 59 H SER 59 -2.700 -10.853 4.203 480 HA SER 59 HA SER 59 -0.235 -9.467 4.584 481 1HB SER 59 2HB SER 59 -1.835 -11.462 6.095 482 2HB SER 59 1HB SER 59 -0.112 -11.387 6.461 483 HG SER 59 HG SER 59 -0.732 -9.797 7.701 484 H ALA 60 H ALA 60 -1.136 -12.672 3.461 485 HA ALA 60 HA ALA 60 1.386 -13.893 3.600 486 1HB ALA 60 1HB ALA 60 -1.166 -14.430 2.250 487 2HB ALA 60 2HB ALA 60 -0.104 -15.514 3.149 488 3HB ALA 60 3HB ALA 60 0.253 -15.125 1.467 489 H PHE 61 H PHE 61 -0.182 -12.132 0.940 490 HA PHE 61 HA PHE 61 1.960 -12.429 -0.886 491 1HB PHE 61 2HB PHE 61 -0.163 -11.904 -1.805 492 2HB PHE 61 1HB PHE 61 -0.376 -10.527 -0.732 493 HD1 PHE 61 2HD PHE 61 2.743 -11.204 -2.568 494 HD2 PHE 61 1HD PHE 61 -0.857 -8.943 -2.432 495 HE1 PHE 61 2HE PHE 61 3.622 -9.709 -4.314 496 HE2 PHE 61 1HE PHE 61 0.014 -7.444 -4.177 497 HZ PHE 61 HZ PHE 61 2.255 -7.825 -5.119 498 H THR 62 H THR 62 1.127 -9.943 1.471 499 HA THR 62 HA THR 62 3.219 -8.159 0.695 500 HB THR 62 HB THR 62 1.638 -8.278 3.270 501 HG1 THR 62 1HG THR 62 0.402 -6.638 2.235 502 1HG2 THR 62 1HG2 THR 62 3.846 -6.687 2.669 503 2HG2 THR 62 2HG2 THR 62 2.691 -6.473 3.984 504 3HG2 THR 62 3HG2 THR 62 2.436 -5.651 2.444 505 H LYS 63 H LYS 63 2.903 -10.759 3.023 506 HA LYS 63 HA LYS 63 5.297 -10.180 4.456 507 1HB LYS 63 2HB LYS 63 3.370 -12.449 4.340 508 2HB LYS 63 1HB LYS 63 4.958 -12.755 5.028 509 1HG LYS 63 2HG LYS 63 4.564 -10.815 6.564 510 2HG LYS 63 1HG LYS 63 2.902 -10.775 5.970 511 1HD LYS 63 2HD LYS 63 2.773 -13.227 6.633 512 2HD LYS 63 1HD LYS 63 4.288 -12.964 7.498 513 1HE LYS 63 2HE LYS 63 2.159 -10.996 8.020 514 2HE LYS 63 1HE LYS 63 1.840 -12.634 8.592 515 1HZ LYS 63 1HZ LYS 63 3.972 -12.572 9.766 516 2HZ LYS 63 2HZ LYS 63 2.926 -11.354 10.299 517 3HZ LYS 63 3HZ LYS 63 4.208 -10.973 9.263 518 H LYS 64 H LYS 64 4.492 -12.425 1.833 519 HA LYS 64 HA LYS 64 7.106 -13.555 1.693 520 1HB LYS 64 2HB LYS 64 6.299 -14.482 -0.490 521 2HB LYS 64 1HB LYS 64 5.272 -14.859 0.886 522 1HG LYS 64 2HG LYS 64 3.553 -14.090 -0.272 523 2HG LYS 64 1HG LYS 64 4.257 -12.477 -0.149 524 1HD LYS 64 2HD LYS 64 4.892 -12.465 -2.303 525 2HD LYS 64 1HD LYS 64 5.447 -14.139 -2.245 526 1HE LYS 64 2HE LYS 64 2.664 -14.278 -2.034 527 2HE LYS 64 1HE LYS 64 2.975 -13.057 -3.266 528 1HZ LYS 64 1HZ LYS 64 4.528 -15.513 -3.447 529 2HZ LYS 64 2HZ LYS 64 3.851 -14.567 -4.675 530 3HZ LYS 64 3HZ LYS 64 2.879 -15.640 -3.802 531 H MET 65 H MET 65 5.483 -10.882 0.108 532 HA MET 65 HA MET 65 7.473 -10.473 -1.891 533 1HB MET 65 2HB MET 65 5.172 -9.666 -2.160 534 2HB MET 65 1HB MET 65 5.392 -8.568 -0.805 535 1HG MET 65 2HG MET 65 6.595 -7.090 -2.015 536 2HG MET 65 1HG MET 65 7.333 -8.339 -3.016 537 1HE MET 65 1HE MET 65 6.947 -8.667 -5.191 538 2HE MET 65 2HE MET 65 6.884 -6.930 -5.485 539 3HE MET 65 3HE MET 65 5.678 -7.991 -6.212 540 H VAL 66 H VAL 66 7.006 -9.337 1.389 541 HA VAL 66 HA VAL 66 9.143 -7.386 1.168 542 HB VAL 66 HB VAL 66 8.697 -6.862 3.500 543 1HG1 VAL 66 1HG1 VAL 66 6.426 -7.015 1.574 544 2HG1 VAL 66 2HG1 VAL 66 7.294 -5.606 2.184 545 3HG1 VAL 66 3HG1 VAL 66 6.129 -6.438 3.214 546 1HG2 VAL 66 1HG2 VAL 66 8.232 -8.938 4.506 547 2HG2 VAL 66 2HG2 VAL 66 6.924 -9.286 3.378 548 3HG2 VAL 66 3HG2 VAL 66 6.722 -8.032 4.602 549 H GLU 67 H GLU 67 8.557 -10.446 2.872 550 HA GLU 67 HA GLU 67 11.095 -10.538 4.132 551 1HB GLU 67 2HB GLU 67 9.190 -12.796 3.491 552 2HB GLU 67 1HB GLU 67 10.545 -12.887 4.609 553 1HG GLU 67 2HG GLU 67 8.378 -10.863 4.994 554 2HG GLU 67 1HG GLU 67 8.173 -12.527 5.538 555 H ASN 68 H ASN 68 9.984 -11.407 0.966 556 HA ASN 68 HA ASN 68 12.409 -12.939 0.413 557 1HB ASN 68 2HB ASN 68 10.049 -13.630 -0.349 558 2HB ASN 68 1HB ASN 68 10.214 -12.367 -1.565 559 1HD2 ASN 68 1HD2 ASN 68 11.306 -15.471 -0.485 560 2HD2 ASN 68 2HD2 ASN 68 12.185 -15.889 -1.913 561 H ALA 69 H ALA 69 10.884 -9.885 -0.376 562 HA ALA 69 HA ALA 69 12.290 -9.073 -2.594 563 1HB ALA 69 1HB ALA 69 12.093 -6.724 -1.457 564 2HB ALA 69 2HB ALA 69 11.119 -7.605 -0.280 565 3HB ALA 69 3HB ALA 69 10.648 -7.592 -1.980 566 H LYS 70 H LYS 70 13.275 -8.724 0.802 567 HA LYS 70 HA LYS 70 15.386 -8.789 1.715 568 1HB LYS 70 2HB LYS 70 16.611 -8.392 -1.006 569 2HB LYS 70 1HB LYS 70 17.356 -9.058 0.439 570 1HG LYS 70 2HG LYS 70 15.326 -10.810 0.061 571 2HG LYS 70 1HG LYS 70 15.699 -10.356 -1.603 572 1HD LYS 70 2HD LYS 70 17.247 -11.987 -1.425 573 2HD LYS 70 1HD LYS 70 18.191 -10.729 -0.625 574 1HE LYS 70 2HE LYS 70 16.336 -12.213 1.112 575 2HE LYS 70 1HE LYS 70 17.664 -13.162 0.443 576 1HZ LYS 70 1HZ LYS 70 17.951 -11.871 2.668 577 2HZ LYS 70 2HZ LYS 70 18.252 -10.553 1.653 578 3HZ LYS 70 3HZ LYS 70 19.222 -11.934 1.553 579 H LYS 71 H LYS 71 14.508 -6.442 -0.722 580 HA LYS 71 HA LYS 71 15.748 -4.353 0.934 581 1HB LYS 71 2HB LYS 71 17.096 -4.631 -1.081 582 2HB LYS 71 1HB LYS 71 15.663 -4.470 -2.087 583 1HG LYS 71 2HG LYS 71 15.844 -2.192 -0.385 584 2HG LYS 71 1HG LYS 71 17.403 -2.446 -1.174 585 1HD LYS 71 2HD LYS 71 15.668 -2.846 -3.240 586 2HD LYS 71 1HD LYS 71 14.828 -1.607 -2.303 587 1HE LYS 71 2HE LYS 71 16.809 -0.194 -2.366 588 2HE LYS 71 1HE LYS 71 17.686 -1.440 -3.253 589 1HZ LYS 71 1HZ LYS 71 16.998 -0.129 -4.961 590 2HZ LYS 71 2HZ LYS 71 15.581 0.369 -4.182 591 3HZ LYS 71 3HZ LYS 71 15.665 -1.170 -4.880 592 H ILE 72 H ILE 72 14.250 -3.035 1.726 593 HA ILE 72 HA ILE 72 11.802 -2.590 0.147 594 HB ILE 72 HB ILE 72 11.979 -2.629 3.160 595 1HG1 ILE 72 2HG1 ILE 72 10.518 -4.723 2.819 596 2HG1 ILE 72 1HG1 ILE 72 11.117 -4.716 1.164 597 1HG2 ILE 72 1HG2 ILE 72 9.545 -2.556 3.079 598 2HG2 ILE 72 2HG2 ILE 72 9.594 -2.500 1.316 599 3HG2 ILE 72 3HG2 ILE 72 10.241 -1.158 2.259 600 1HD1 ILE 72 1HD1 ILE 72 12.282 -6.076 3.137 601 2HD1 ILE 72 2HD1 ILE 72 13.149 -4.548 3.294 602 3HD1 ILE 72 3HD1 ILE 72 13.171 -5.423 1.763 603 H GLU 73 H GLU 73 10.977 -0.546 0.034 604 HA GLU 73 HA GLU 73 12.487 1.601 1.362 605 1HB GLU 73 2HB GLU 73 11.440 1.837 -1.453 606 2HB GLU 73 1HB GLU 73 12.564 2.901 -0.620 607 1HG GLU 73 2HG GLU 73 14.193 1.002 -0.580 608 2HG GLU 73 1HG GLU 73 13.081 0.116 -1.624 609 H VAL 74 H VAL 74 11.297 3.480 1.862 610 HA VAL 74 HA VAL 74 8.375 3.173 1.639 611 HB VAL 74 HB VAL 74 8.120 4.297 3.779 612 1HG1 VAL 74 1HG1 VAL 74 9.576 2.499 5.135 613 2HG1 VAL 74 2HG1 VAL 74 9.643 1.782 3.525 614 3HG1 VAL 74 3HG1 VAL 74 8.084 2.096 4.286 615 1HG2 VAL 74 1HG2 VAL 74 10.314 5.590 3.525 616 2HG2 VAL 74 2HG2 VAL 74 11.092 4.156 4.190 617 3HG2 VAL 74 3HG2 VAL 74 9.887 5.024 5.139 618 H GLU 75 H GLU 75 7.137 5.041 1.337 619 HA GLU 75 HA GLU 75 8.610 7.504 0.718 620 1HB GLU 75 2HB GLU 75 8.200 6.356 -1.404 621 2HB GLU 75 1HB GLU 75 6.487 6.237 -1.026 622 1HG GLU 75 2HG GLU 75 6.142 8.526 -1.311 623 2HG GLU 75 1HG GLU 75 7.862 8.891 -1.191 624 H PHE 76 H PHE 76 7.836 9.050 1.989 625 HA PHE 76 HA PHE 76 5.124 8.851 3.033 626 1HB PHE 76 2HB PHE 76 7.523 10.515 3.744 627 2HB PHE 76 1HB PHE 76 5.923 10.937 4.347 628 HD1 PHE 76 1HD PHE 76 8.466 8.250 4.293 629 HD2 PHE 76 2HD PHE 76 4.991 9.820 6.184 630 HE1 PHE 76 1HE PHE 76 8.739 6.633 6.128 631 HE2 PHE 76 2HE PHE 76 5.259 8.207 8.022 632 HZ PHE 76 HZ PHE 76 7.134 6.612 7.996 633 H ASP 77 H ASP 77 3.480 10.186 2.524 634 HA ASP 77 HA ASP 77 3.736 11.810 0.173 635 1HB ASP 77 2HB ASP 77 1.605 10.582 1.655 636 2HB ASP 77 1HB ASP 77 1.228 12.284 1.405 637 H LYS 78 H LYS 78 2.036 13.928 0.634 638 HA LYS 78 HA LYS 78 3.688 15.594 2.396 639 1HB LYS 78 2HB LYS 78 1.731 16.513 0.290 640 2HB LYS 78 1HB LYS 78 2.936 17.488 1.119 641 1HG LYS 78 2HG LYS 78 3.524 15.225 -0.778 642 2HG LYS 78 1HG LYS 78 3.605 16.944 -1.167 643 1HD LYS 78 2HD LYS 78 5.374 17.264 0.454 644 2HD LYS 78 1HD LYS 78 5.245 15.581 0.968 645 1HE LYS 78 2HE LYS 78 5.783 14.960 -1.432 646 2HE LYS 78 1HE LYS 78 6.215 16.654 -1.669 647 1HZ LYS 78 1HZ LYS 78 7.461 14.768 0.259 648 2HZ LYS 78 2HZ LYS 78 7.833 16.414 0.148 649 3HZ LYS 78 3HZ LYS 78 8.169 15.384 -1.150 650 H GLY 79 H GLY 79 1.269 13.808 3.069 651 1HA GLY 79 2HA GLY 79 -0.462 15.887 4.231 652 2HA GLY 79 1HA GLY 79 -0.930 14.215 3.962 653 H GLN 80 H GLN 80 -0.980 12.961 5.695 654 HA GLN 80 HA GLN 80 0.339 13.887 8.134 655 1HB GLN 80 2HB GLN 80 -2.039 13.376 8.298 656 2HB GLN 80 1HB GLN 80 -1.753 11.749 7.697 657 1HG GLN 80 2HG GLN 80 -1.091 10.991 9.694 658 2HG GLN 80 1HG GLN 80 -0.182 12.456 10.064 659 1HE2 GLN 80 1HE2 GLN 80 -3.608 11.951 9.324 660 2HE2 GLN 80 2HE2 GLN 80 -4.206 12.630 10.796 661 H ARG 81 H ARG 81 1.711 12.589 9.358 662 HA ARG 81 HA ARG 81 3.011 10.443 7.841 663 1HB ARG 81 2HB ARG 81 4.442 12.304 8.566 664 2HB ARG 81 1HB ARG 81 3.987 12.007 10.238 665 1HG ARG 81 2HG ARG 81 4.928 9.642 9.837 666 2HG ARG 81 1HG ARG 81 5.716 10.368 8.436 667 1HD ARG 81 2HD ARG 81 6.302 12.181 10.369 668 2HD ARG 81 1HD ARG 81 6.280 10.686 11.303 669 HE ARG 81 HE ARG 81 8.298 11.518 9.513 670 1HH1 ARG 81 1HH1 ARG 81 6.556 8.664 10.512 671 2HH1 ARG 81 2HH1 ARG 81 7.848 7.582 10.112 672 1HH2 ARG 81 1HH2 ARG 81 9.998 10.097 8.985 673 2HH2 ARG 81 2HH2 ARG 81 9.803 8.396 9.244 674 H THR 82 H THR 82 1.221 11.108 10.735 675 HA THR 82 HA THR 82 1.227 8.247 11.363 676 HB THR 82 HB THR 82 1.595 8.594 13.689 677 HG1 THR 82 1HG THR 82 1.308 11.336 13.076 678 1HG2 THR 82 1HG2 THR 82 3.594 10.580 12.930 679 2HG2 THR 82 2HG2 THR 82 3.579 9.138 11.917 680 3HG2 THR 82 3HG2 THR 82 3.787 8.987 13.661 681 H ASP 83 H ASP 83 -0.818 7.668 11.090 682 HA ASP 83 HA ASP 83 -3.013 9.457 11.268 683 1HB ASP 83 2HB ASP 83 -4.379 7.319 11.105 684 2HB ASP 83 1HB ASP 83 -3.249 7.619 9.788 685 H LYS 84 H LYS 84 -2.251 10.162 13.521 686 HA LYS 84 HA LYS 84 -2.532 10.241 15.783 687 1HB LYS 84 2HB LYS 84 -5.146 8.883 15.112 688 2HB LYS 84 1HB LYS 84 -4.798 9.823 16.556 689 1HG LYS 84 2HG LYS 84 -4.607 11.021 13.815 690 2HG LYS 84 1HG LYS 84 -6.133 10.944 14.698 691 1HD LYS 84 2HD LYS 84 -5.044 12.146 16.579 692 2HD LYS 84 1HD LYS 84 -3.594 12.312 15.586 693 1HE LYS 84 2HE LYS 84 -5.222 13.370 13.858 694 2HE LYS 84 1HE LYS 84 -6.279 13.589 15.252 695 1HZ LYS 84 1HZ LYS 84 -4.503 15.389 14.532 696 2HZ LYS 84 2HZ LYS 84 -3.507 14.458 15.533 697 3HZ LYS 84 3HZ LYS 84 -4.924 15.143 16.154 698 H TYR 85 H TYR 85 -1.261 7.800 14.694 699 HA TYR 85 HA TYR 85 -1.686 6.100 17.050 700 1HB TYR 85 2HB TYR 85 -2.017 5.365 14.219 701 2HB TYR 85 1HB TYR 85 -1.032 4.247 15.157 702 HD1 TYR 85 2HD TYR 85 -2.001 3.060 17.084 703 HD2 TYR 85 1HD TYR 85 -4.377 5.546 14.582 704 HE1 TYR 85 2HE TYR 85 -4.036 2.019 17.994 705 HE2 TYR 85 1HE TYR 85 -6.420 4.514 15.485 706 HH TYR 85 HH TYR 85 -6.451 2.622 18.260 707 H GLY 86 H GLY 86 0.417 8.055 15.696 708 1HA GLY 86 2HA GLY 86 2.699 8.270 15.732 709 2HA GLY 86 1HA GLY 86 2.672 7.040 16.985 710 H ARG 87 H ARG 87 1.331 6.144 13.947 711 HA ARG 87 HA ARG 87 3.461 4.226 13.558 712 1HB ARG 87 2HB ARG 87 1.068 4.675 11.779 713 2HB ARG 87 1HB ARG 87 2.056 3.226 11.907 714 1HG ARG 87 2HG ARG 87 0.774 4.080 14.406 715 2HG ARG 87 1HG ARG 87 -0.329 3.569 13.128 716 1HD ARG 87 2HD ARG 87 0.108 1.450 13.626 717 2HD ARG 87 1HD ARG 87 1.797 1.708 13.190 718 HE ARG 87 HE ARG 87 1.673 2.656 15.715 719 1HH1 ARG 87 1HH1 ARG 87 0.677 -0.355 14.259 720 2HH1 ARG 87 2HH1 ARG 87 0.938 -1.281 15.698 721 1HH2 ARG 87 1HH2 ARG 87 2.016 1.438 17.609 722 2HH2 ARG 87 2HH2 ARG 87 1.698 -0.264 17.600 723 H GLY 88 H GLY 88 3.670 3.911 10.884 724 1HA GLY 88 2HA GLY 88 4.868 6.473 10.030 725 2HA GLY 88 1HA GLY 88 5.516 4.893 9.614 726 H LEU 89 H LEU 89 2.628 6.927 9.196 727 HA LEU 89 HA LEU 89 1.436 5.492 7.128 728 1HB LEU 89 2HB LEU 89 1.358 8.341 8.010 729 2HB LEU 89 1HB LEU 89 0.636 7.925 6.469 730 HG LEU 89 HG LEU 89 -0.140 6.833 9.172 731 1HD1 LEU 89 1HD1 LEU 89 -1.333 8.730 9.185 732 2HD1 LEU 89 2HD1 LEU 89 -2.367 7.894 8.026 733 3HD1 LEU 89 3HD1 LEU 89 -1.115 8.997 7.455 734 1HD2 LEU 89 1HD2 LEU 89 -1.006 6.068 6.398 735 2HD2 LEU 89 2HD2 LEU 89 -2.010 5.771 7.818 736 3HD2 LEU 89 3HD2 LEU 89 -0.416 5.026 7.693 737 H ALA 90 H ALA 90 2.173 5.001 5.174 738 HA ALA 90 HA ALA 90 3.092 6.797 3.273 739 1HB ALA 90 1HB ALA 90 5.549 5.999 3.232 740 2HB ALA 90 2HB ALA 90 5.278 5.586 4.924 741 3HB ALA 90 3HB ALA 90 5.082 7.252 4.381 742 H TYR 91 H TYR 91 4.141 5.685 1.374 743 HA TYR 91 HA TYR 91 2.793 3.164 0.944 744 1HB TYR 91 2HB TYR 91 4.516 4.826 -0.906 745 2HB TYR 91 1HB TYR 91 3.593 3.405 -1.385 746 HD1 TYR 91 2HD TYR 91 3.252 6.844 -0.026 747 HD2 TYR 91 1HD TYR 91 1.327 3.595 -1.985 748 HE1 TYR 91 2HE TYR 91 1.298 8.272 -0.464 749 HE2 TYR 91 1HE TYR 91 -0.631 5.013 -2.428 750 HH TYR 91 HH TYR 91 -1.645 7.166 -1.265 751 H ILE 92 H ILE 92 3.713 1.186 0.672 752 HA ILE 92 HA ILE 92 6.543 0.958 1.415 753 HB ILE 92 HB ILE 92 4.468 -1.233 1.322 754 1HG1 ILE 92 2HG1 ILE 92 3.897 0.546 2.964 755 2HG1 ILE 92 1HG1 ILE 92 4.264 -0.999 3.725 756 1HG2 ILE 92 1HG2 ILE 92 6.783 -1.503 3.091 757 2HG2 ILE 92 2HG2 ILE 92 7.188 -1.450 1.376 758 3HG2 ILE 92 3HG2 ILE 92 6.060 -2.664 1.978 759 1HD1 ILE 92 1HD1 ILE 92 6.016 -0.167 4.830 760 2HD1 ILE 92 2HD1 ILE 92 5.282 1.398 4.482 761 3HD1 ILE 92 3HD1 ILE 92 6.568 0.777 3.446 762 H TYR 93 H TYR 93 8.035 0.054 0.089 763 HA TYR 93 HA TYR 93 7.098 -1.127 -2.434 764 1HB TYR 93 2HB TYR 93 9.454 0.755 -2.240 765 2HB TYR 93 1HB TYR 93 8.747 0.077 -3.703 766 HD1 TYR 93 1HD TYR 93 7.867 2.242 -0.793 767 HD2 TYR 93 2HD TYR 93 7.193 1.324 -4.893 768 HE1 TYR 93 1HE TYR 93 6.406 4.210 -0.987 769 HE2 TYR 93 2HE TYR 93 5.731 3.290 -5.098 770 HH TYR 93 HH TYR 93 5.626 5.748 -2.852 771 H ALA 94 H ALA 94 8.216 -2.877 -3.148 772 HA ALA 94 HA ALA 94 10.487 -3.758 -1.488 773 1HB ALA 94 1HB ALA 94 9.127 -5.479 -1.023 774 2HB ALA 94 2HB ALA 94 9.564 -6.054 -2.632 775 3HB ALA 94 3HB ALA 94 8.071 -5.144 -2.395 776 H ASP 95 H ASP 95 12.362 -4.170 -2.468 777 HA ASP 95 HA ASP 95 13.947 -4.019 -4.119 778 1HB ASP 95 2HB ASP 95 13.184 -6.401 -4.117 779 2HB ASP 95 1HB ASP 95 12.101 -6.007 -5.449 780 H GLY 96 H GLY 96 12.217 -1.881 -4.405 781 1HA GLY 96 2HA GLY 96 11.914 -0.200 -5.959 782 2HA GLY 96 1HA GLY 96 12.618 -1.254 -7.174 783 H LYS 97 H LYS 97 9.944 -2.459 -5.344 784 HA LYS 97 HA LYS 97 8.184 -1.990 -7.660 785 1HB LYS 97 2HB LYS 97 8.789 -4.340 -7.503 786 2HB LYS 97 1HB LYS 97 8.297 -4.384 -5.816 787 1HG LYS 97 2HG LYS 97 6.071 -4.411 -6.319 788 2HG LYS 97 1HG LYS 97 6.294 -3.567 -7.853 789 1HD LYS 97 2HD LYS 97 7.574 -6.208 -7.686 790 2HD LYS 97 1HD LYS 97 5.811 -6.228 -7.618 791 1HE LYS 97 2HE LYS 97 6.841 -6.410 -9.921 792 2HE LYS 97 1HE LYS 97 5.620 -5.154 -9.711 793 1HZ LYS 97 1HZ LYS 97 8.534 -4.639 -9.508 794 2HZ LYS 97 2HZ LYS 97 7.290 -3.499 -9.604 795 3HZ LYS 97 3HZ LYS 97 7.660 -4.461 -10.944 796 H MET 98 H MET 98 5.939 -1.700 -7.223 797 HA MET 98 HA MET 98 5.472 -0.353 -4.687 798 1HB MET 98 2HB MET 98 4.178 -0.373 -7.361 799 2HB MET 98 1HB MET 98 3.146 -0.033 -5.979 800 1HG MET 98 2HG MET 98 4.333 1.899 -5.419 801 2HG MET 98 1HG MET 98 5.713 1.446 -6.419 802 1HE MET 98 1HE MET 98 2.791 4.453 -7.516 803 2HE MET 98 2HE MET 98 4.308 4.467 -6.615 804 3HE MET 98 3HE MET 98 2.905 3.615 -5.969 805 H VAL 99 H VAL 99 4.689 -1.440 -3.017 806 HA VAL 99 HA VAL 99 3.509 -4.027 -3.279 807 HB VAL 99 HB VAL 99 3.529 -2.254 -0.833 808 1HG1 VAL 99 1HG1 VAL 99 2.679 -5.003 -1.379 809 2HG1 VAL 99 2HG1 VAL 99 2.239 -3.917 -0.060 810 3HG1 VAL 99 3HG1 VAL 99 3.743 -4.835 0.018 811 1HG2 VAL 99 1HG2 VAL 99 5.521 -4.397 -1.029 812 2HG2 VAL 99 2HG2 VAL 99 5.685 -2.745 -0.435 813 3HG2 VAL 99 3HG2 VAL 99 5.760 -3.071 -2.167 814 H ASN 100 H ASN 100 2.271 -0.804 -2.476 815 HA ASN 100 HA ASN 100 -0.366 -1.510 -1.900 816 1HB ASN 100 2HB ASN 100 -0.873 0.883 -2.645 817 2HB ASN 100 1HB ASN 100 0.298 0.688 -1.345 818 1HD2 ASN 100 1HD2 ASN 100 -0.296 2.492 -3.898 819 2HD2 ASN 100 2HD2 ASN 100 1.305 2.833 -4.452 820 H GLU 101 H GLU 101 1.060 -0.471 -4.991 821 HA GLU 101 HA GLU 101 -1.308 -0.702 -6.500 822 1HB GLU 101 2HB GLU 101 1.609 -0.705 -7.241 823 2HB GLU 101 1HB GLU 101 0.351 -0.891 -8.456 824 1HG GLU 101 2HG GLU 101 -0.075 1.367 -6.657 825 2HG GLU 101 1HG GLU 101 1.405 1.476 -7.608 826 H ALA 102 H ALA 102 1.307 -2.985 -5.834 827 HA ALA 102 HA ALA 102 0.536 -5.018 -7.589 828 1HB ALA 102 1HB ALA 102 2.038 -6.387 -6.476 829 2HB ALA 102 2HB ALA 102 1.728 -5.631 -4.913 830 3HB ALA 102 3HB ALA 102 2.664 -4.774 -6.139 831 H LEU 103 H LEU 103 -0.225 -4.671 -4.118 832 HA LEU 103 HA LEU 103 -1.886 -6.899 -3.897 833 1HB LEU 103 2HB LEU 103 -1.888 -4.285 -2.397 834 2HB LEU 103 1HB LEU 103 -2.899 -5.646 -1.951 835 HG LEU 103 HG LEU 103 -0.022 -6.251 -2.219 836 1HD1 LEU 103 1HD1 LEU 103 0.600 -4.422 -1.061 837 2HD1 LEU 103 2HD1 LEU 103 0.000 -5.342 0.318 838 3HD1 LEU 103 3HD1 LEU 103 -1.026 -4.127 -0.445 839 1HD2 LEU 103 1HD2 LEU 103 -2.175 -7.569 -1.264 840 2HD2 LEU 103 2HD2 LEU 103 -1.547 -6.861 0.224 841 3HD2 LEU 103 3HD2 LEU 103 -0.516 -7.897 -0.763 842 H VAL 104 H VAL 104 -2.813 -3.501 -4.449 843 HA VAL 104 HA VAL 104 -5.566 -3.985 -4.743 844 HB VAL 104 HB VAL 104 -3.997 -1.747 -6.022 845 1HG1 VAL 104 1HG1 VAL 104 -6.390 -0.706 -5.294 846 2HG1 VAL 104 2HG1 VAL 104 -6.853 -2.356 -5.709 847 3HG1 VAL 104 3HG1 VAL 104 -6.029 -1.346 -6.898 848 1HG2 VAL 104 1HG2 VAL 104 -5.381 -1.236 -3.484 849 2HG2 VAL 104 2HG2 VAL 104 -3.804 -0.684 -4.050 850 3HG2 VAL 104 3HG2 VAL 104 -3.979 -2.299 -3.363 851 H ARG 105 H ARG 105 -2.954 -3.761 -7.133 852 HA ARG 105 HA ARG 105 -4.567 -4.040 -9.423 853 1HB ARG 105 2HB ARG 105 -2.252 -3.239 -9.523 854 2HB ARG 105 1HB ARG 105 -1.674 -4.820 -9.014 855 1HG ARG 105 2HG ARG 105 -2.729 -5.765 -11.084 856 2HG ARG 105 1HG ARG 105 -3.023 -4.104 -11.604 857 1HD ARG 105 2HD ARG 105 -0.281 -4.544 -10.735 858 2HD ARG 105 1HD ARG 105 -0.744 -5.587 -12.079 859 HE ARG 105 HE ARG 105 -0.217 -2.810 -12.202 860 1HH1 ARG 105 1HH1 ARG 105 -2.336 -5.255 -13.514 861 2HH1 ARG 105 2HH1 ARG 105 -2.610 -4.399 -14.994 862 1HH2 ARG 105 1HH2 ARG 105 -0.578 -1.685 -14.149 863 2HH2 ARG 105 2HH2 ARG 105 -1.612 -2.373 -15.355 864 H GLN 106 H GLN 106 -3.224 -6.354 -7.184 865 HA GLN 106 HA GLN 106 -3.907 -8.624 -8.857 866 1HB GLN 106 2HB GLN 106 -1.960 -8.295 -7.031 867 2HB GLN 106 1HB GLN 106 -3.191 -9.018 -6.004 868 1HG GLN 106 2HG GLN 106 -3.063 -10.521 -8.404 869 2HG GLN 106 1HG GLN 106 -1.418 -10.285 -7.816 870 1HE2 GLN 106 1HE2 GLN 106 -0.742 -11.357 -6.039 871 2HE2 GLN 106 2HE2 GLN 106 -1.711 -12.486 -5.158 872 H GLY 107 H GLY 107 -5.269 -6.794 -6.245 873 1HA GLY 107 2HA GLY 107 -7.622 -6.850 -5.821 874 2HA GLY 107 1HA GLY 107 -7.640 -8.531 -6.336 875 H LEU 108 H LEU 108 -5.491 -6.902 -4.036 876 HA LEU 108 HA LEU 108 -6.527 -8.698 -1.940 877 1HB LEU 108 2HB LEU 108 -3.735 -7.997 -2.712 878 2HB LEU 108 1HB LEU 108 -4.081 -8.297 -1.020 879 HG LEU 108 HG LEU 108 -4.855 -10.540 -1.528 880 1HD1 LEU 108 1HD1 LEU 108 -4.725 -9.531 -4.301 881 2HD1 LEU 108 2HD1 LEU 108 -5.840 -10.677 -3.558 882 3HD1 LEU 108 3HD1 LEU 108 -4.228 -11.203 -4.044 883 1HD2 LEU 108 1HD2 LEU 108 -2.787 -11.478 -1.788 884 2HD2 LEU 108 2HD2 LEU 108 -2.324 -9.821 -1.397 885 3HD2 LEU 108 3HD2 LEU 108 -2.320 -10.365 -3.074 886 H ALA 109 H ALA 109 -5.433 -5.493 -2.782 887 HA ALA 109 HA ALA 109 -6.288 -4.558 -0.121 888 1HB ALA 109 1HB ALA 109 -3.871 -3.915 -1.697 889 2HB ALA 109 2HB ALA 109 -4.104 -3.990 0.050 890 3HB ALA 109 3HB ALA 109 -4.649 -2.577 -0.852 891 H LYS 110 H LYS 110 -7.293 -2.485 -0.036 892 HA LYS 110 HA LYS 110 -8.483 -1.652 -2.600 893 1HB LYS 110 2HB LYS 110 -10.463 -0.948 -1.320 894 2HB LYS 110 1HB LYS 110 -10.146 -2.667 -1.136 895 1HG LYS 110 2HG LYS 110 -10.387 -2.298 1.046 896 2HG LYS 110 1HG LYS 110 -8.771 -1.595 0.970 897 1HD LYS 110 2HD LYS 110 -9.677 0.294 1.735 898 2HD LYS 110 1HD LYS 110 -10.445 0.464 0.156 899 1HE LYS 110 2HE LYS 110 -11.780 -1.283 2.147 900 2HE LYS 110 1HE LYS 110 -11.829 0.456 2.433 901 1HZ LYS 110 1HZ LYS 110 -12.488 0.325 -0.156 902 2HZ LYS 110 2HZ LYS 110 -13.615 0.349 1.105 903 3HZ LYS 110 3HZ LYS 110 -13.162 -1.122 0.407 904 H VAL 111 H VAL 111 -9.608 0.691 -2.016 905 HA VAL 111 HA VAL 111 -7.299 2.393 -1.505 906 HB VAL 111 HB VAL 111 -10.058 3.219 -2.413 907 1HG1 VAL 111 1HG1 VAL 111 -9.160 5.215 -1.842 908 2HG1 VAL 111 2HG1 VAL 111 -8.384 5.060 -3.418 909 3HG1 VAL 111 3HG1 VAL 111 -7.503 4.625 -1.954 910 1HG2 VAL 111 1HG2 VAL 111 -7.928 3.225 -4.407 911 2HG2 VAL 111 2HG2 VAL 111 -9.587 2.641 -4.522 912 3HG2 VAL 111 3HG2 VAL 111 -8.336 1.612 -3.823 913 H ALA 112 H ALA 112 -6.936 2.963 0.533 914 HA ALA 112 HA ALA 112 -8.947 2.967 2.552 915 1HB ALA 112 1HB ALA 112 -6.357 4.398 2.922 916 2HB ALA 112 2HB ALA 112 -6.350 2.647 2.719 917 3HB ALA 112 3HB ALA 112 -7.252 3.376 4.047 918 H TYR 113 H TYR 113 -8.450 5.220 4.055 919 HA TYR 113 HA TYR 113 -9.021 7.528 2.364 920 1HB TYR 113 2HB TYR 113 -11.028 8.123 3.645 921 2HB TYR 113 1HB TYR 113 -11.227 6.571 2.841 922 HD1 TYR 113 2HD TYR 113 -10.754 4.460 4.265 923 HD2 TYR 113 1HD TYR 113 -11.461 8.313 5.924 924 HE1 TYR 113 2HE TYR 113 -11.352 3.419 6.411 925 HE2 TYR 113 1HE TYR 113 -12.060 7.284 8.075 926 HH TYR 113 HH TYR 113 -11.301 4.293 8.958 927 H VAL 114 H VAL 114 -7.403 8.818 2.994 928 HA VAL 114 HA VAL 114 -6.586 8.923 5.780 929 HB VAL 114 HB VAL 114 -4.861 8.928 4.026 930 1HG1 VAL 114 1HG1 VAL 114 -5.348 11.725 3.255 931 2HG1 VAL 114 2HG1 VAL 114 -6.508 10.554 2.625 932 3HG1 VAL 114 3HG1 VAL 114 -4.787 10.359 2.290 933 1HG2 VAL 114 1HG2 VAL 114 -4.523 10.042 6.249 934 2HG2 VAL 114 2HG2 VAL 114 -4.892 11.578 5.463 935 3HG2 VAL 114 3HG2 VAL 114 -3.486 10.642 4.955 936 H TYR 115 H TYR 115 -6.332 10.994 6.888 937 HA TYR 115 HA TYR 115 -8.695 12.451 7.035 938 1HB TYR 115 2HB TYR 115 -6.595 12.260 8.647 939 2HB TYR 115 1HB TYR 115 -6.137 13.759 7.845 940 HD1 TYR 115 2HD TYR 115 -8.721 15.090 7.481 941 HD2 TYR 115 1HD TYR 115 -7.244 12.864 10.793 942 HE1 TYR 115 2HE TYR 115 -10.207 16.347 8.982 943 HE2 TYR 115 1HE TYR 115 -8.726 14.116 12.302 944 HH TYR 115 HH TYR 115 -9.860 16.519 12.197 945 H LYS 116 H LYS 116 -5.562 13.576 5.739 946 HA LYS 116 HA LYS 116 -6.514 14.700 3.396 947 1HB LYS 116 2HB LYS 116 -6.428 17.159 4.085 948 2HB LYS 116 1HB LYS 116 -7.862 16.252 4.546 949 1HG LYS 116 2HG LYS 116 -7.509 16.628 6.705 950 2HG LYS 116 1HG LYS 116 -5.827 16.107 6.589 951 1HD LYS 116 2HD LYS 116 -6.493 18.758 5.447 952 2HD LYS 116 1HD LYS 116 -6.535 18.612 7.206 953 1HE LYS 116 2HE LYS 116 -4.189 17.412 5.899 954 2HE LYS 116 1HE LYS 116 -4.307 19.167 5.768 955 1HZ LYS 116 1HZ LYS 116 -4.503 19.293 8.176 956 2HZ LYS 116 2HZ LYS 116 -3.068 18.517 7.730 957 3HZ LYS 116 3HZ LYS 116 -4.378 17.610 8.296 958 H GLY 117 H GLY 117 -4.896 15.759 2.207 959 1HA GLY 117 2HA GLY 117 -2.769 16.842 2.021 960 2HA GLY 117 1HA GLY 117 -2.310 16.123 3.557 961 H ASN 118 H ASN 118 -3.113 13.470 3.023 962 HA ASN 118 HA ASN 118 -0.897 12.664 1.326 963 1HB ASN 118 2HB ASN 118 -2.723 11.176 3.206 964 2HB ASN 118 1HB ASN 118 -1.603 10.335 2.139 965 1HD2 ASN 118 1HD2 ASN 118 -1.549 10.210 4.944 966 2HD2 ASN 118 2HD2 ASN 118 -0.066 10.912 5.484 967 H ASN 119 H ASN 119 -2.217 13.640 -0.521 968 HA ASN 119 HA ASN 119 -3.695 11.452 -1.798 969 1HB ASN 119 2HB ASN 119 -4.590 14.335 -1.631 970 2HB ASN 119 1HB ASN 119 -5.268 13.172 -2.767 971 1HD2 ASN 119 1HD2 ASN 119 -5.287 14.357 0.421 972 2HD2 ASN 119 2HD2 ASN 119 -6.458 13.265 1.070 973 H THR 120 H THR 120 -1.249 11.540 -2.499 974 HA THR 120 HA THR 120 -0.956 13.339 -4.801 975 HB THR 120 HB THR 120 1.181 11.631 -3.523 976 HG1 THR 120 1HG THR 120 1.628 13.257 -2.206 977 1HG2 THR 120 1HG2 THR 120 1.248 13.888 -5.490 978 2HG2 THR 120 2HG2 THR 120 1.971 12.284 -5.618 979 3HG2 THR 120 3HG2 THR 120 2.644 13.468 -4.498 980 H HIS 121 H HIS 121 -0.811 9.944 -3.840 981 HA HIS 121 HA HIS 121 -0.596 9.165 -6.659 982 1HB HIS 121 2HB HIS 121 -0.130 7.671 -4.084 983 2HB HIS 121 1HB HIS 121 -0.253 6.844 -5.632 984 HD1 HIS 121 1HD HIS 121 1.468 10.139 -5.539 985 HD2 HIS 121 2HD HIS 121 2.468 6.108 -5.440 986 HE1 HIS 121 1HE HIS 121 3.949 10.053 -5.937 987 HE2 HIS 121 2HE HIS 121 4.518 7.599 -5.959 988 H GLU 122 H GLU 122 -3.057 10.113 -5.067 989 HA GLU 122 HA GLU 122 -4.846 7.990 -4.743 990 1HB GLU 122 2HB GLU 122 -4.981 10.606 -4.217 991 2HB GLU 122 1HB GLU 122 -5.900 10.593 -5.715 992 1HG GLU 122 2HG GLU 122 -6.986 8.493 -4.329 993 2HG GLU 122 1HG GLU 122 -6.635 9.663 -3.058 994 H GLN 123 H GLN 123 -3.582 9.377 -7.606 995 HA GLN 123 HA GLN 123 -5.762 8.769 -9.341 996 1HB GLN 123 2HB GLN 123 -2.864 9.086 -10.122 997 2HB GLN 123 1HB GLN 123 -4.279 9.326 -11.138 998 1HG GLN 123 2HG GLN 123 -4.241 11.003 -8.747 999 2HG GLN 123 1HG GLN 123 -2.898 11.292 -9.852 1000 1HE2 GLN 123 1HE2 GLN 123 -3.264 12.769 -11.328 1001 2HE2 GLN 123 2HE2 GLN 123 -4.803 13.200 -11.988 1002 H LEU 124 H LEU 124 -2.587 7.217 -8.844 1003 HA LEU 124 HA LEU 124 -3.202 4.980 -10.488 1004 1HB LEU 124 2HB LEU 124 -1.162 3.983 -9.514 1005 2HB LEU 124 1HB LEU 124 -0.907 5.599 -10.146 1006 HG LEU 124 HG LEU 124 -1.555 5.474 -7.272 1007 1HD1 LEU 124 1HD1 LEU 124 0.813 4.874 -6.719 1008 2HD1 LEU 124 2HD1 LEU 124 0.993 4.315 -8.382 1009 3HD1 LEU 124 3HD1 LEU 124 -0.174 3.537 -7.311 1010 1HD2 LEU 124 1HD2 LEU 124 -0.937 7.583 -7.801 1011 2HD2 LEU 124 2HD2 LEU 124 0.068 7.067 -9.155 1012 3HD2 LEU 124 3HD2 LEU 124 0.678 6.941 -7.505 1013 H LEU 125 H LEU 125 -3.521 5.656 -7.064 1014 HA LEU 125 HA LEU 125 -3.995 3.009 -6.202 1015 1HB LEU 125 2HB LEU 125 -4.802 5.671 -5.043 1016 2HB LEU 125 1HB LEU 125 -5.097 4.143 -4.234 1017 HG LEU 125 HG LEU 125 -2.303 4.573 -5.058 1018 1HD1 LEU 125 1HD1 LEU 125 -3.436 6.818 -4.123 1019 2HD1 LEU 125 2HD1 LEU 125 -1.765 6.362 -3.794 1020 3HD1 LEU 125 3HD1 LEU 125 -3.020 6.035 -2.598 1021 1HD2 LEU 125 1HD2 LEU 125 -3.453 3.857 -2.372 1022 2HD2 LEU 125 2HD2 LEU 125 -1.835 3.523 -2.992 1023 3HD2 LEU 125 3HD2 LEU 125 -3.229 2.681 -3.668 1024 H ARG 126 H ARG 126 -6.137 5.575 -7.341 1025 HA ARG 126 HA ARG 126 -8.526 4.048 -6.870 1026 1HB ARG 126 2HB ARG 126 -8.217 6.639 -6.975 1027 2HB ARG 126 1HB ARG 126 -8.400 6.412 -8.709 1028 1HG ARG 126 2HG ARG 126 -10.524 5.020 -7.864 1029 2HG ARG 126 1HG ARG 126 -10.391 6.187 -6.545 1030 1HD ARG 126 2HD ARG 126 -11.013 7.918 -7.845 1031 2HD ARG 126 1HD ARG 126 -10.124 7.320 -9.244 1032 HE ARG 126 HE ARG 126 -12.044 6.334 -9.992 1033 1HH1 ARG 126 1HH1 ARG 126 -12.427 7.092 -6.607 1034 2HH1 ARG 126 2HH1 ARG 126 -14.104 6.662 -6.572 1035 1HH2 ARG 126 1HH2 ARG 126 -14.250 5.770 -9.948 1036 2HH2 ARG 126 2HH2 ARG 126 -15.139 5.912 -8.468 1037 H LYS 127 H LYS 127 -6.328 4.571 -9.528 1038 HA LYS 127 HA LYS 127 -7.990 3.631 -11.610 1039 1HB LYS 127 2HB LYS 127 -5.345 4.596 -11.348 1040 2HB LYS 127 1HB LYS 127 -5.230 3.023 -12.126 1041 1HG LYS 127 2HG LYS 127 -5.495 4.310 -13.969 1042 2HG LYS 127 1HG LYS 127 -7.196 4.024 -13.595 1043 1HD LYS 127 2HD LYS 127 -5.901 6.352 -12.298 1044 2HD LYS 127 1HD LYS 127 -6.202 6.464 -14.033 1045 1HE LYS 127 2HE LYS 127 -8.236 5.890 -11.881 1046 2HE LYS 127 1HE LYS 127 -8.078 7.381 -12.810 1047 1HZ LYS 127 1HZ LYS 127 -9.721 6.332 -13.965 1048 2HZ LYS 127 2HZ LYS 127 -9.140 4.778 -13.637 1049 3HZ LYS 127 3HZ LYS 127 -8.378 5.736 -14.804 1050 H SER 128 H SER 128 -5.511 2.003 -9.646 1051 HA SER 128 HA SER 128 -5.877 -0.542 -10.844 1052 1HB SER 128 2HB SER 128 -3.827 0.157 -9.592 1053 2HB SER 128 1HB SER 128 -4.759 0.064 -8.098 1054 HG SER 128 HG SER 128 -3.792 -1.888 -8.291 1055 H GLU 129 H GLU 129 -7.192 0.997 -7.948 1056 HA GLU 129 HA GLU 129 -8.528 -1.246 -6.908 1057 1HB GLU 129 2HB GLU 129 -8.140 0.791 -5.604 1058 2HB GLU 129 1HB GLU 129 -9.230 1.684 -6.655 1059 1HG GLU 129 2HG GLU 129 -10.447 -0.695 -5.502 1060 2HG GLU 129 1HG GLU 129 -9.900 0.467 -4.294 1061 H ALA 130 H ALA 130 -9.784 1.433 -8.895 1062 HA ALA 130 HA ALA 130 -12.377 0.428 -9.206 1063 1HB ALA 130 1HB ALA 130 -11.202 2.733 -9.879 1064 2HB ALA 130 2HB ALA 130 -12.730 2.198 -10.577 1065 3HB ALA 130 3HB ALA 130 -11.223 1.954 -11.462 1066 H GLN 131 H GLN 131 -9.498 0.034 -11.247 1067 HA GLN 131 HA GLN 131 -10.709 -1.445 -13.297 1068 1HB GLN 131 2HB GLN 131 -7.932 -1.018 -12.339 1069 2HB GLN 131 1HB GLN 131 -8.207 -2.407 -13.381 1070 1HG GLN 131 2HG GLN 131 -7.493 -0.382 -14.595 1071 2HG GLN 131 1HG GLN 131 -9.051 -1.010 -15.129 1072 1HE2 GLN 131 1HE2 GLN 131 -7.378 1.706 -14.192 1073 2HE2 GLN 131 2HE2 GLN 131 -8.714 2.757 -13.886 1074 H ALA 132 H ALA 132 -9.169 -2.469 -10.282 1075 HA ALA 132 HA ALA 132 -9.366 -5.251 -10.770 1076 1HB ALA 132 1HB ALA 132 -9.268 -3.918 -8.071 1077 2HB ALA 132 2HB ALA 132 -7.853 -4.146 -9.098 1078 3HB ALA 132 3HB ALA 132 -8.737 -5.546 -8.492 1079 H LYS 133 H LYS 133 -11.533 -2.897 -9.310 1080 HA LYS 133 HA LYS 133 -13.336 -4.801 -8.239 1081 1HB LYS 133 2HB LYS 133 -14.307 -3.023 -7.293 1082 2HB LYS 133 1HB LYS 133 -12.981 -2.096 -7.964 1083 1HG LYS 133 2HG LYS 133 -14.585 -0.821 -8.833 1084 2HG LYS 133 1HG LYS 133 -14.757 -2.089 -10.037 1085 1HD LYS 133 2HD LYS 133 -16.348 -1.777 -7.498 1086 2HD LYS 133 1HD LYS 133 -16.924 -1.517 -9.145 1087 1HE LYS 133 2HE LYS 133 -15.800 -4.176 -8.366 1088 2HE LYS 133 1HE LYS 133 -17.447 -3.754 -7.906 1089 1HZ LYS 133 1HZ LYS 133 -18.151 -4.129 -9.958 1090 2HZ LYS 133 2HZ LYS 133 -16.631 -4.777 -10.317 1091 3HZ LYS 133 3HZ LYS 133 -16.954 -3.149 -10.642 1092 H LYS 134 H LYS 134 -13.420 -2.867 -11.231 1093 HA LYS 134 HA LYS 134 -15.877 -3.775 -12.186 1094 1HB LYS 134 2HB LYS 134 -13.419 -3.048 -13.791 1095 2HB LYS 134 1HB LYS 134 -15.055 -3.159 -14.425 1096 1HG LYS 134 2HG LYS 134 -15.600 -1.126 -13.692 1097 2HG LYS 134 1HG LYS 134 -14.827 -1.382 -12.125 1098 1HD LYS 134 2HD LYS 134 -12.618 -1.058 -13.307 1099 2HD LYS 134 1HD LYS 134 -13.544 -0.512 -14.706 1100 1HE LYS 134 2HE LYS 134 -14.668 1.085 -12.970 1101 2HE LYS 134 1HE LYS 134 -13.210 0.773 -12.030 1102 1HZ LYS 134 1HZ LYS 134 -11.888 1.820 -13.563 1103 2HZ LYS 134 2HZ LYS 134 -13.294 2.752 -13.683 1104 3HZ LYS 134 3HZ LYS 134 -12.962 1.570 -14.848 1105 H GLU 135 H GLU 135 -12.654 -5.163 -12.461 1106 HA GLU 135 HA GLU 135 -13.584 -7.379 -14.068 1107 1HB GLU 135 2HB GLU 135 -10.938 -6.536 -12.946 1108 2HB GLU 135 1HB GLU 135 -11.152 -8.180 -13.530 1109 1HG GLU 135 2HG GLU 135 -11.980 -5.937 -15.293 1110 2HG GLU 135 1HG GLU 135 -10.259 -6.262 -15.091 1111 H LYS 136 H LYS 136 -13.533 -6.658 -10.758 1112 HA LYS 136 HA LYS 136 -13.841 -7.882 -8.863 1113 1HB LYS 136 2HB LYS 136 -15.052 -9.820 -10.846 1114 2HB LYS 136 1HB LYS 136 -15.252 -9.910 -9.101 1115 1HG LYS 136 2HG LYS 136 -15.967 -7.321 -10.262 1116 2HG LYS 136 1HG LYS 136 -16.961 -8.672 -10.808 1117 1HD LYS 136 2HD LYS 136 -16.648 -8.982 -8.027 1118 2HD LYS 136 1HD LYS 136 -17.012 -7.277 -8.302 1119 1HE LYS 136 2HE LYS 136 -19.076 -7.731 -9.229 1120 2HE LYS 136 1HE LYS 136 -18.623 -9.370 -9.694 1121 1HZ LYS 136 1HZ LYS 136 -18.513 -9.780 -7.183 1122 2HZ LYS 136 2HZ LYS 136 -20.038 -9.676 -7.905 1123 3HZ LYS 136 3HZ LYS 136 -19.422 -8.360 -7.040 1124 H LEU 137 H LEU 137 -11.327 -8.017 -9.327 1125 HA LEU 137 HA LEU 137 -10.147 -10.442 -10.051 1126 1HB LEU 137 2HB LEU 137 -9.273 -8.115 -8.391 1127 2HB LEU 137 1HB LEU 137 -8.277 -9.557 -8.440 1128 HG LEU 137 HG LEU 137 -9.123 -8.023 -10.896 1129 1HD1 LEU 137 1HD1 LEU 137 -6.549 -7.489 -10.784 1130 2HD1 LEU 137 2HD1 LEU 137 -6.814 -7.695 -9.052 1131 3HD1 LEU 137 3HD1 LEU 137 -7.729 -6.482 -9.946 1132 1HD2 LEU 137 1HD2 LEU 137 -7.196 -10.281 -10.405 1133 2HD2 LEU 137 2HD2 LEU 137 -7.178 -9.299 -11.870 1134 3HD2 LEU 137 3HD2 LEU 137 -8.602 -10.260 -11.470 1135 H ASN 138 H ASN 138 -10.058 -9.261 -6.698 1136 HA ASN 138 HA ASN 138 -10.945 -11.905 -5.789 1137 1HB ASN 138 2HB ASN 138 -8.304 -10.654 -5.351 1138 2HB ASN 138 1HB ASN 138 -9.052 -11.364 -3.923 1139 1HD2 ASN 138 1HD2 ASN 138 -6.749 -12.416 -4.771 1140 2HD2 ASN 138 2HD2 ASN 138 -7.003 -13.957 -5.506 1141 H ILE 139 H ILE 139 -9.583 -9.177 -3.977 1142 HA ILE 139 HA ILE 139 -11.390 -9.188 -1.906 1143 HB ILE 139 HB ILE 139 -10.833 -6.752 -1.599 1144 1HG1 ILE 139 2HG1 ILE 139 -9.229 -7.269 -4.113 1145 2HG1 ILE 139 1HG1 ILE 139 -10.517 -6.089 -3.905 1146 1HG2 ILE 139 1HG2 ILE 139 -8.415 -7.211 -1.164 1147 2HG2 ILE 139 2HG2 ILE 139 -8.631 -8.768 -1.963 1148 3HG2 ILE 139 3HG2 ILE 139 -9.525 -8.401 -0.490 1149 1HD1 ILE 139 1HD1 ILE 139 -7.756 -5.728 -3.550 1150 2HD1 ILE 139 2HD1 ILE 139 -8.493 -5.621 -1.951 1151 3HD1 ILE 139 3HD1 ILE 139 -9.054 -4.571 -3.252 1152 H TRP 140 H TRP 140 -11.722 -7.716 -5.064 1153 HA TRP 140 HA TRP 140 -14.258 -6.481 -4.314 1154 1HB TRP 140 2HB TRP 140 -12.697 -6.390 -6.902 1155 2HB TRP 140 1HB TRP 140 -14.203 -5.529 -6.607 1156 HD1 TRP 140 HD TRP 140 -10.852 -4.628 -6.940 1157 HE1 TRP 140 1HE TRP 140 -10.149 -2.662 -5.437 1158 HE3 TRP 140 3HE TRP 140 -14.726 -4.728 -3.600 1159 HZ2 TRP 140 2HZ TRP 140 -11.109 -1.328 -3.145 1160 HZ3 TRP 140 3HZ TRP 140 -14.757 -3.071 -1.784 1161 HH2 TRP 140 HH TRP 140 -12.986 -1.406 -1.561 1162 H SER 141 H SER 141 -14.040 -9.381 -4.386 1163 HA SER 141 HA SER 141 -15.635 -10.091 -6.737 1164 1HB SER 141 2HB SER 141 -15.146 -12.384 -6.222 1165 2HB SER 141 1HB SER 141 -13.638 -11.482 -6.068 1166 HG SER 141 HG SER 141 -13.652 -11.782 -3.955 1167 H GLU 142 H GLU 142 -16.677 -8.506 -4.471 1168 HA GLU 142 HA GLU 142 -19.144 -9.919 -4.137 1169 1HB GLU 142 2HB GLU 142 -19.019 -9.733 -1.582 1170 2HB GLU 142 1HB GLU 142 -18.144 -11.053 -2.345 1171 1HG GLU 142 2HG GLU 142 -16.216 -10.356 -1.509 1172 2HG GLU 142 1HG GLU 142 -16.474 -8.721 -2.117 1173 H ASP 143 H ASP 143 -18.160 -7.383 -5.180 1174 HA ASP 143 HA ASP 143 -19.562 -5.506 -3.396 1175 1HB ASP 143 2HB ASP 143 -17.076 -5.136 -4.035 1176 2HB ASP 143 1HB ASP 143 -17.709 -4.656 -5.606 1177 H ASN 144 H ASN 144 -21.634 -5.940 -4.179 1178 HA ASN 144 HA ASN 144 -22.111 -5.178 -6.985 1179 1HB ASN 144 2HB ASN 144 -22.792 -7.534 -5.822 1180 2HB ASN 144 1HB ASN 144 -24.255 -6.597 -5.529 1181 1HD2 ASN 144 1HD2 ASN 144 -25.724 -6.689 -7.055 1182 2HD2 ASN 144 2HD2 ASN 144 -25.446 -7.048 -8.722 1183 H ALA 145 H ALA 145 -24.482 -4.366 -7.257 1184 HA ALA 145 HA ALA 145 -24.693 -1.947 -5.779 1185 1HB ALA 145 1HB ALA 145 -26.219 -3.249 -7.964 1186 2HB ALA 145 2HB ALA 145 -25.520 -1.633 -7.876 1187 3HB ALA 145 3HB ALA 145 -27.031 -1.987 -7.038 1188 H ASP 146 H ASP 146 -26.239 -1.294 -4.288 1189 HA ASP 146 HA ASP 146 -28.250 -3.134 -3.343 1190 1HB ASP 146 2HB ASP 146 -25.716 -2.667 -1.858 1191 2HB ASP 146 1HB ASP 146 -27.203 -2.702 -0.917 1192 H SER 147 H SER 147 -28.138 -0.458 -4.479 1193 HA SER 147 HA SER 147 -29.150 1.135 -2.220 1194 1HB SER 147 2HB SER 147 -27.352 2.313 -3.229 1195 2HB SER 147 1HB SER 147 -27.927 1.948 -4.856 1196 HG SER 147 HG SER 147 -29.179 3.643 -2.953 1197 H GLY 148 H GLY 148 -31.237 0.223 -2.251 1198 1HA GLY 148 2HA GLY 148 -33.479 0.721 -2.784 1199 2HA GLY 148 1HA GLY 148 -32.945 1.368 -4.328 1200 H GLN 149 H GLN 149 -34.150 0.232 -5.746 1201 HA GLN 149 HA GLN 149 -33.769 -2.684 -5.757 1202 1HB GLN 149 2HB GLN 149 -36.118 -1.666 -5.021 1203 2HB GLN 149 1HB GLN 149 -36.344 -1.574 -6.763 1204 1HG GLN 149 2HG GLN 149 -35.428 -4.102 -6.514 1205 2HG GLN 149 1HG GLN 149 -36.278 -3.906 -4.982 1206 1HE2 GLN 149 1HE2 GLN 149 -37.159 -5.745 -6.763 1207 2HE2 GLN 149 2HE2 GLN 149 -38.655 -5.236 -7.460 Start of MODEL 6 1 1H ALA 1 1HT ALA 1 16.529 13.716 -19.084 2 2H ALA 1 2HT ALA 1 17.630 13.876 -20.390 3 3H ALA 1 3HT ALA 1 18.032 12.894 -19.041 4 HA ALA 1 HA ALA 1 15.998 12.435 -21.105 5 1HB ALA 1 1HB ALA 1 18.604 11.783 -21.117 6 2HB ALA 1 2HB ALA 1 17.353 10.809 -21.888 7 3HB ALA 1 3HB ALA 1 17.944 10.377 -20.284 8 H THR 2 H THR 2 17.301 11.282 -18.003 9 HA THR 2 HA THR 2 14.634 10.341 -17.283 10 HB THR 2 HB THR 2 15.593 8.346 -18.206 11 HG1 THR 2 1HG THR 2 15.923 8.213 -15.394 12 1HG2 THR 2 1HG2 THR 2 17.973 9.040 -18.086 13 2HG2 THR 2 2HG2 THR 2 17.672 7.387 -17.552 14 3HG2 THR 2 3HG2 THR 2 17.947 8.662 -16.364 15 H SER 3 H SER 3 14.216 11.342 -15.435 16 HA SER 3 HA SER 3 16.297 11.383 -13.359 17 1HB SER 3 2HB SER 3 15.294 13.667 -12.699 18 2HB SER 3 1HB SER 3 16.356 13.615 -14.107 19 HG SER 3 HG SER 3 14.407 14.799 -14.474 20 H THR 4 H THR 4 15.589 11.130 -11.257 21 HA THR 4 HA THR 4 13.196 9.692 -10.875 22 HB THR 4 HB THR 4 15.118 9.357 -9.426 23 HG1 THR 4 1HG THR 4 12.982 10.478 -7.939 24 1HG2 THR 4 1HG2 THR 4 14.703 11.781 -7.828 25 2HG2 THR 4 2HG2 THR 4 15.480 12.027 -9.393 26 3HG2 THR 4 3HG2 THR 4 16.186 10.912 -8.224 27 H LYS 5 H LYS 5 11.304 10.243 -9.734 28 HA LYS 5 HA LYS 5 10.298 12.835 -10.293 29 1HB LYS 5 2HB LYS 5 9.273 10.399 -8.916 30 2HB LYS 5 1HB LYS 5 8.436 11.918 -8.631 31 1HG LYS 5 2HG LYS 5 8.283 12.152 -11.145 32 2HG LYS 5 1HG LYS 5 8.818 10.472 -11.234 33 1HD LYS 5 2HD LYS 5 6.896 9.701 -10.091 34 2HD LYS 5 1HD LYS 5 6.451 11.333 -9.588 35 1HE LYS 5 2HE LYS 5 4.999 10.675 -11.374 36 2HE LYS 5 1HE LYS 5 6.103 11.907 -11.984 37 1HZ LYS 5 1HZ LYS 5 7.465 9.729 -12.601 38 2HZ LYS 5 2HZ LYS 5 6.321 10.413 -13.642 39 3HZ LYS 5 3HZ LYS 5 5.900 9.087 -12.679 40 H LYS 6 H LYS 6 8.955 13.877 -8.325 41 HA LYS 6 HA LYS 6 10.850 15.157 -6.708 42 1HB LYS 6 2HB LYS 6 7.863 14.933 -6.291 43 2HB LYS 6 1HB LYS 6 8.917 16.103 -5.508 44 1HG LYS 6 2HG LYS 6 9.517 16.900 -7.843 45 2HG LYS 6 1HG LYS 6 8.150 15.934 -8.403 46 1HD LYS 6 2HD LYS 6 6.921 17.256 -6.448 47 2HD LYS 6 1HD LYS 6 8.189 18.433 -6.802 48 1HE LYS 6 2HE LYS 6 7.471 18.070 -9.272 49 2HE LYS 6 1HE LYS 6 5.990 17.426 -8.563 50 1HZ LYS 6 1HZ LYS 6 6.940 20.005 -7.576 51 2HZ LYS 6 2HZ LYS 6 5.358 19.454 -7.812 52 3HZ LYS 6 3HZ LYS 6 6.279 19.972 -9.134 53 H LEU 7 H LEU 7 8.474 12.639 -5.887 54 HA LEU 7 HA LEU 7 9.868 12.221 -3.338 55 1HB LEU 7 2HB LEU 7 7.108 11.581 -4.314 56 2HB LEU 7 1HB LEU 7 7.784 10.711 -2.950 57 HG LEU 7 HG LEU 7 7.878 13.677 -2.840 58 1HD1 LEU 7 1HD1 LEU 7 5.366 12.052 -2.749 59 2HD1 LEU 7 2HD1 LEU 7 5.671 13.587 -3.561 60 3HD1 LEU 7 3HD1 LEU 7 5.525 13.532 -1.805 61 1HD2 LEU 7 1HD2 LEU 7 8.047 13.342 -0.614 62 2HD2 LEU 7 2HD2 LEU 7 8.574 11.736 -1.119 63 3HD2 LEU 7 3HD2 LEU 7 6.904 11.999 -0.618 64 H HIS 8 H HIS 8 11.143 10.511 -3.069 65 HA HIS 8 HA HIS 8 10.891 8.273 -4.970 66 1HB HIS 8 2HB HIS 8 13.330 7.914 -4.642 67 2HB HIS 8 1HB HIS 8 12.955 9.470 -5.374 68 HD1 HIS 8 1HD HIS 8 14.251 11.329 -4.409 69 HD2 HIS 8 2HD HIS 8 13.636 8.289 -1.643 70 HE1 HIS 8 1HE HIS 8 15.450 12.064 -2.325 71 HE2 HIS 8 2HE HIS 8 14.990 10.250 -0.638 72 H LYS 9 H LYS 9 11.858 6.202 -4.095 73 HA LYS 9 HA LYS 9 10.721 5.729 -1.457 74 1HB LYS 9 2HB LYS 9 12.022 3.547 -3.017 75 2HB LYS 9 1HB LYS 9 10.568 3.505 -2.031 76 1HG LYS 9 2HG LYS 9 9.572 3.349 -4.046 77 2HG LYS 9 1HG LYS 9 9.710 5.108 -3.995 78 1HD LYS 9 2HD LYS 9 10.738 4.880 -5.978 79 2HD LYS 9 1HD LYS 9 12.135 4.390 -5.018 80 1HE LYS 9 2HE LYS 9 12.051 2.588 -6.386 81 2HE LYS 9 1HE LYS 9 10.889 2.033 -5.182 82 1HZ LYS 9 1HZ LYS 9 9.610 1.742 -6.992 83 2HZ LYS 9 2HZ LYS 9 10.455 2.869 -7.928 84 3HZ LYS 9 3HZ LYS 9 9.294 3.395 -6.816 85 H GLU 10 H GLU 10 11.858 4.883 0.296 86 HA GLU 10 HA GLU 10 14.555 4.104 0.250 87 1HB GLU 10 2HB GLU 10 14.516 6.731 -0.181 88 2HB GLU 10 1HB GLU 10 14.390 6.769 1.572 89 1HG GLU 10 2HG GLU 10 16.421 5.028 1.282 90 2HG GLU 10 1HG GLU 10 16.654 6.028 -0.152 91 H ALA 11 H ALA 11 14.900 2.943 2.033 92 HA ALA 11 HA ALA 11 13.790 3.740 4.577 93 1HB ALA 11 1HB ALA 11 12.857 1.226 3.206 94 2HB ALA 11 2HB ALA 11 11.878 2.592 3.734 95 3HB ALA 11 3HB ALA 11 12.644 1.545 4.927 96 H ALA 12 H ALA 12 14.509 0.387 3.819 97 HA ALA 12 HA ALA 12 17.216 0.222 4.132 98 1HB ALA 12 1HB ALA 12 17.741 0.790 6.211 99 2HB ALA 12 2HB ALA 12 16.703 -0.499 6.820 100 3HB ALA 12 3HB ALA 12 16.047 1.118 6.572 101 H THR 13 H THR 13 14.940 -1.386 6.348 102 HA THR 13 HA THR 13 14.780 -3.710 4.623 103 HB THR 13 HB THR 13 16.168 -3.850 7.306 104 HG1 THR 13 1HG THR 13 17.959 -4.206 6.180 105 1HG2 THR 13 1HG2 THR 13 16.570 -6.247 6.639 106 2HG2 THR 13 2HG2 THR 13 15.283 -6.036 5.452 107 3HG2 THR 13 3HG2 THR 13 14.937 -5.847 7.171 108 H LEU 14 H LEU 14 13.124 -5.138 5.187 109 HA LEU 14 HA LEU 14 11.208 -4.031 7.103 110 1HB LEU 14 2HB LEU 14 10.235 -4.341 4.973 111 2HB LEU 14 1HB LEU 14 10.953 -5.926 4.783 112 HG LEU 14 HG LEU 14 8.426 -5.764 5.241 113 1HD1 LEU 14 1HD1 LEU 14 9.776 -7.588 7.169 114 2HD1 LEU 14 2HD1 LEU 14 10.064 -7.776 5.438 115 3HD1 LEU 14 3HD1 LEU 14 8.425 -7.896 6.078 116 1HD2 LEU 14 1HD2 LEU 14 9.539 -4.809 7.795 117 2HD2 LEU 14 2HD2 LEU 14 8.241 -5.995 7.904 118 3HD2 LEU 14 3HD2 LEU 14 7.984 -4.482 7.037 119 H ILE 15 H ILE 15 11.106 -4.883 9.070 120 HA ILE 15 HA ILE 15 12.473 -7.257 9.796 121 HB ILE 15 HB ILE 15 10.394 -5.665 11.309 122 1HG1 ILE 15 2HG1 ILE 15 12.687 -5.226 12.620 123 2HG1 ILE 15 1HG1 ILE 15 13.352 -5.531 11.018 124 1HG2 ILE 15 1HG2 ILE 15 11.767 -6.931 13.238 125 2HG2 ILE 15 2HG2 ILE 15 11.827 -8.159 11.974 126 3HG2 ILE 15 3HG2 ILE 15 10.271 -7.555 12.544 127 1HD1 ILE 15 1HD1 ILE 15 12.464 -3.632 10.141 128 2HD1 ILE 15 2HD1 ILE 15 12.699 -3.112 11.810 129 3HD1 ILE 15 3HD1 ILE 15 11.100 -3.615 11.258 130 H LYS 16 H LYS 16 8.984 -6.514 9.656 131 HA LYS 16 HA LYS 16 8.262 -8.946 8.459 132 1HB LYS 16 2HB LYS 16 8.974 -9.917 10.607 133 2HB LYS 16 1HB LYS 16 7.834 -8.880 11.452 134 1HG LYS 16 2HG LYS 16 6.406 -10.575 11.302 135 2HG LYS 16 1HG LYS 16 6.254 -10.152 9.596 136 1HD LYS 16 2HD LYS 16 8.565 -11.844 10.273 137 2HD LYS 16 1HD LYS 16 6.985 -12.597 10.504 138 1HE LYS 16 2HE LYS 16 6.393 -11.964 8.187 139 2HE LYS 16 1HE LYS 16 8.021 -11.324 7.973 140 1HZ LYS 16 1HZ LYS 16 8.857 -13.585 8.507 141 2HZ LYS 16 2HZ LYS 16 7.956 -13.511 7.077 142 3HZ LYS 16 3HZ LYS 16 7.261 -14.147 8.482 143 H ALA 17 H ALA 17 6.114 -8.979 7.883 144 HA ALA 17 HA ALA 17 4.688 -6.501 8.233 145 1HB ALA 17 1HB ALA 17 4.715 -7.676 6.070 146 2HB ALA 17 2HB ALA 17 3.076 -7.413 6.671 147 3HB ALA 17 3HB ALA 17 3.819 -9.008 6.801 148 H ILE 18 H ILE 18 2.622 -6.258 9.158 149 HA ILE 18 HA ILE 18 2.016 -8.262 11.222 150 HB ILE 18 HB ILE 18 1.060 -5.402 11.127 151 1HG1 ILE 18 2HG1 ILE 18 3.073 -6.137 13.140 152 2HG1 ILE 18 1HG1 ILE 18 3.673 -6.169 11.485 153 1HG2 ILE 18 1HG2 ILE 18 0.018 -7.435 12.539 154 2HG2 ILE 18 2HG2 ILE 18 0.037 -5.765 13.105 155 3HG2 ILE 18 3HG2 ILE 18 1.270 -6.898 13.660 156 1HD1 ILE 18 1HD1 ILE 18 3.509 -3.927 11.239 157 2HD1 ILE 18 2HD1 ILE 18 3.729 -3.988 12.988 158 3HD1 ILE 18 3HD1 ILE 18 2.113 -3.798 12.309 159 H ASP 19 H ASP 19 0.418 -6.100 8.884 160 HA ASP 19 HA ASP 19 -1.630 -8.117 8.458 161 1HB ASP 19 2HB ASP 19 -2.203 -6.271 10.332 162 2HB ASP 19 1HB ASP 19 -2.723 -5.395 8.895 163 H GLY 20 H GLY 20 0.214 -7.575 6.632 164 1HA GLY 20 2HA GLY 20 0.393 -7.091 4.392 165 2HA GLY 20 1HA GLY 20 -1.303 -6.638 4.419 166 H ASP 21 H ASP 21 -1.660 -4.464 5.666 167 HA ASP 21 HA ASP 21 -0.037 -2.502 4.296 168 1HB ASP 21 2HB ASP 21 -1.663 -0.879 5.324 169 2HB ASP 21 1HB ASP 21 -2.402 -2.104 4.299 170 H THR 22 H THR 22 -0.581 -3.641 7.564 171 HA THR 22 HA THR 22 1.227 -1.618 8.639 172 HB THR 22 HB THR 22 0.004 -3.771 10.315 173 HG1 THR 22 1HG THR 22 -1.889 -2.482 10.462 174 1HG2 THR 22 1HG2 THR 22 -0.120 -2.101 12.000 175 2HG2 THR 22 2HG2 THR 22 0.294 -0.830 10.851 176 3HG2 THR 22 3HG2 THR 22 1.498 -2.039 11.300 177 H VAL 23 H VAL 23 3.310 -2.102 8.304 178 HA VAL 23 HA VAL 23 4.238 -4.764 9.145 179 HB VAL 23 HB VAL 23 5.865 -4.808 7.323 180 1HG1 VAL 23 1HG1 VAL 23 3.357 -4.302 5.838 181 2HG1 VAL 23 2HG1 VAL 23 3.285 -5.485 7.143 182 3HG1 VAL 23 3HG1 VAL 23 4.427 -5.703 5.817 183 1HG2 VAL 23 1HG2 VAL 23 4.487 -2.342 6.262 184 2HG2 VAL 23 2HG2 VAL 23 5.846 -3.197 5.532 185 3HG2 VAL 23 3HG2 VAL 23 6.059 -2.346 7.062 186 H LYS 24 H LYS 24 6.221 -4.836 10.180 187 HA LYS 24 HA LYS 24 7.162 -2.286 11.211 188 1HB LYS 24 2HB LYS 24 7.481 -5.144 11.968 189 2HB LYS 24 1HB LYS 24 8.784 -4.050 12.407 190 1HG LYS 24 2HG LYS 24 6.716 -2.611 13.287 191 2HG LYS 24 1HG LYS 24 6.024 -4.227 13.441 192 1HD LYS 24 2HD LYS 24 7.044 -4.161 15.457 193 2HD LYS 24 1HD LYS 24 8.451 -4.661 14.515 194 1HE LYS 24 2HE LYS 24 8.926 -2.171 14.225 195 2HE LYS 24 1HE LYS 24 7.739 -1.914 15.505 196 1HZ LYS 24 1HZ LYS 24 9.140 -3.554 16.828 197 2HZ LYS 24 2HZ LYS 24 9.778 -2.004 16.596 198 3HZ LYS 24 3HZ LYS 24 10.344 -3.300 15.667 199 H LEU 25 H LEU 25 8.488 -1.217 9.893 200 HA LEU 25 HA LEU 25 10.574 -2.711 8.455 201 1HB LEU 25 2HB LEU 25 8.765 -0.772 7.588 202 2HB LEU 25 1HB LEU 25 10.296 0.074 7.699 203 HG LEU 25 HG LEU 25 10.195 -2.549 6.273 204 1HD1 LEU 25 1HD1 LEU 25 8.435 -0.547 5.586 205 2HD1 LEU 25 2HD1 LEU 25 9.019 -1.827 4.524 206 3HD1 LEU 25 3HD1 LEU 25 9.816 -0.254 4.528 207 1HD2 LEU 25 1HD2 LEU 25 11.699 -0.163 5.352 208 2HD2 LEU 25 2HD2 LEU 25 12.149 -1.868 5.324 209 3HD2 LEU 25 3HD2 LEU 25 12.243 -0.956 6.831 210 H MET 26 H MET 26 12.692 -2.211 8.665 211 HA MET 26 HA MET 26 13.421 -0.590 10.965 212 1HB MET 26 2HB MET 26 14.347 -2.956 10.309 213 2HB MET 26 1HB MET 26 15.407 -2.034 9.254 214 1HG MET 26 2HG MET 26 15.709 -0.682 11.573 215 2HG MET 26 1HG MET 26 15.418 -2.314 12.173 216 1HE MET 26 1HE MET 26 16.668 -4.247 11.806 217 2HE MET 26 2HE MET 26 17.878 -3.527 12.870 218 3HE MET 26 3HE MET 26 18.377 -4.325 11.379 219 H TYR 27 H TYR 27 13.397 1.527 10.462 220 HA TYR 27 HA TYR 27 14.797 2.395 8.027 221 1HB TYR 27 2HB TYR 27 12.456 3.134 8.231 222 2HB TYR 27 1HB TYR 27 12.835 3.910 9.764 223 HD1 TYR 27 1HD TYR 27 14.515 5.818 9.755 224 HD2 TYR 27 2HD TYR 27 12.766 4.270 6.200 225 HE1 TYR 27 1HE TYR 27 15.121 7.883 8.565 226 HE2 TYR 27 2HE TYR 27 13.367 6.330 4.999 227 HH TYR 27 HH TYR 27 15.527 8.622 6.247 228 H LYS 28 H LYS 28 16.481 3.811 8.123 229 HA LYS 28 HA LYS 28 18.420 4.623 9.001 230 1HB LYS 28 2HB LYS 28 18.135 6.583 10.222 231 2HB LYS 28 1HB LYS 28 16.606 6.406 9.376 232 1HG LYS 28 2HG LYS 28 15.529 6.534 11.302 233 2HG LYS 28 1HG LYS 28 16.358 5.089 11.873 234 1HD LYS 28 2HD LYS 28 18.316 6.762 12.339 235 2HD LYS 28 1HD LYS 28 17.021 7.961 12.325 236 1HE LYS 28 2HE LYS 28 15.991 7.063 14.189 237 2HE LYS 28 1HE LYS 28 16.721 5.475 13.953 238 1HZ LYS 28 1HZ LYS 28 18.385 7.817 14.624 239 2HZ LYS 28 2HZ LYS 28 18.726 6.176 14.847 240 3HZ LYS 28 3HZ LYS 28 17.591 6.945 15.837 241 H GLY 29 H GLY 29 17.548 2.049 10.146 242 1HA GLY 29 2HA GLY 29 18.734 0.660 11.607 243 2HA GLY 29 1HA GLY 29 19.367 2.083 12.413 244 H GLN 30 H GLN 30 15.949 1.987 11.928 245 HA GLN 30 HA GLN 30 15.533 0.901 14.616 246 1HB GLN 30 2HB GLN 30 14.118 2.734 15.290 247 2HB GLN 30 1HB GLN 30 15.688 3.365 14.818 248 1HG GLN 30 2HG GLN 30 14.866 4.362 12.912 249 2HG GLN 30 1HG GLN 30 13.463 3.298 12.833 250 1HE2 GLN 30 1HE2 GLN 30 12.255 3.487 15.153 251 2HE2 GLN 30 2HE2 GLN 30 11.795 5.113 15.517 252 H ALA 31 H ALA 31 13.786 -0.360 14.806 253 HA ALA 31 HA ALA 31 12.220 -0.895 12.435 254 1HB ALA 31 1HB ALA 31 11.348 -2.787 13.651 255 2HB ALA 31 2HB ALA 31 12.043 -2.182 15.155 256 3HB ALA 31 3HB ALA 31 13.099 -2.722 13.849 257 H MET 32 H MET 32 10.534 0.354 11.990 258 HA MET 32 HA MET 32 8.743 1.120 14.201 259 1HB MET 32 2HB MET 32 8.180 3.141 12.768 260 2HB MET 32 1HB MET 32 9.767 3.143 13.525 261 1HG MET 32 2HG MET 32 10.863 2.743 11.519 262 2HG MET 32 1HG MET 32 9.406 2.140 10.733 263 1HE MET 32 1HE MET 32 11.509 5.737 11.013 264 2HE MET 32 2HE MET 32 11.034 4.926 12.505 265 3HE MET 32 3HE MET 32 10.212 6.404 12.004 266 H THR 33 H THR 33 6.502 1.259 13.691 267 HA THR 33 HA THR 33 5.671 -0.745 11.801 268 HB THR 33 HB THR 33 3.808 1.051 13.330 269 HG1 THR 33 1HG THR 33 4.212 0.006 15.148 270 1HG2 THR 33 1HG2 THR 33 2.730 -0.508 11.846 271 2HG2 THR 33 2HG2 THR 33 2.465 -0.994 13.520 272 3HG2 THR 33 3HG2 THR 33 3.653 -1.844 12.533 273 H PHE 34 H PHE 34 5.486 -0.293 9.717 274 HA PHE 34 HA PHE 34 4.775 2.413 8.869 275 1HB PHE 34 2HB PHE 34 6.100 0.075 7.572 276 2HB PHE 34 1HB PHE 34 5.240 1.216 6.544 277 HD1 PHE 34 1HD PHE 34 8.048 0.801 8.879 278 HD2 PHE 34 2HD PHE 34 6.094 3.402 6.135 279 HE1 PHE 34 1HE PHE 34 10.009 2.287 8.894 280 HE2 PHE 34 2HE PHE 34 8.050 4.893 6.149 281 HZ PHE 34 HZ PHE 34 10.012 4.336 7.530 282 H ARG 35 H ARG 35 3.102 2.785 7.326 283 HA ARG 35 HA ARG 35 1.135 0.626 7.045 284 1HB ARG 35 2HB ARG 35 0.787 3.223 8.413 285 2HB ARG 35 1HB ARG 35 -0.515 2.752 7.329 286 1HG ARG 35 2HG ARG 35 0.393 0.634 9.141 287 2HG ARG 35 1HG ARG 35 -0.333 2.033 9.935 288 1HD ARG 35 2HD ARG 35 -1.948 1.414 7.702 289 2HD ARG 35 1HD ARG 35 -1.607 -0.105 8.528 290 HE ARG 35 HE ARG 35 -2.908 0.592 10.281 291 1HH1 ARG 35 1HH1 ARG 35 -2.206 3.327 8.230 292 2HH1 ARG 35 2HH1 ARG 35 -3.310 4.381 9.047 293 1HH2 ARG 35 1HH2 ARG 35 -4.361 1.977 11.356 294 2HH2 ARG 35 2HH2 ARG 35 -4.534 3.615 10.823 295 H LEU 36 H LEU 36 0.491 0.385 5.002 296 HA LEU 36 HA LEU 36 1.461 1.935 2.897 297 1HB LEU 36 2HB LEU 36 -0.768 -0.052 3.127 298 2HB LEU 36 1HB LEU 36 -0.516 0.819 1.628 299 HG LEU 36 HG LEU 36 1.593 -0.871 2.966 300 1HD1 LEU 36 1HD1 LEU 36 -0.611 -1.555 1.136 301 2HD1 LEU 36 2HD1 LEU 36 0.278 -2.566 2.276 302 3HD1 LEU 36 3HD1 LEU 36 0.976 -2.189 0.700 303 1HD2 LEU 36 1HD2 LEU 36 2.498 0.884 1.556 304 2HD2 LEU 36 2HD2 LEU 36 1.438 0.395 0.233 305 3HD2 LEU 36 3HD2 LEU 36 2.714 -0.690 0.789 306 H LEU 37 H LEU 37 0.938 3.881 2.196 307 HA LEU 37 HA LEU 37 -1.128 5.425 3.320 308 1HB LEU 37 2HB LEU 37 1.082 6.115 2.123 309 2HB LEU 37 1HB LEU 37 0.101 6.076 0.670 310 HG LEU 37 HG LEU 37 -1.444 7.606 2.333 311 1HD1 LEU 37 1HD1 LEU 37 0.184 9.316 3.216 312 2HD1 LEU 37 2HD1 LEU 37 1.450 8.111 2.976 313 3HD1 LEU 37 3HD1 LEU 37 0.124 7.788 4.093 314 1HD2 LEU 37 1HD2 LEU 37 -1.111 8.235 0.096 315 2HD2 LEU 37 2HD2 LEU 37 0.638 8.329 0.294 316 3HD2 LEU 37 3HD2 LEU 37 -0.399 9.541 1.045 317 H LEU 38 H LEU 38 -3.217 5.543 2.871 318 HA LEU 38 HA LEU 38 -5.240 5.209 1.887 319 1HB LEU 38 2HB LEU 38 -3.478 5.985 -0.403 320 2HB LEU 38 1HB LEU 38 -5.147 5.536 -0.702 321 HG LEU 38 HG LEU 38 -4.440 7.675 1.287 322 1HD1 LEU 38 1HD1 LEU 38 -3.405 8.313 -0.819 323 2HD1 LEU 38 2HD1 LEU 38 -4.809 9.325 -0.480 324 3HD1 LEU 38 3HD1 LEU 38 -4.924 8.026 -1.667 325 1HD2 LEU 38 1HD2 LEU 38 -6.780 8.402 0.309 326 2HD2 LEU 38 2HD2 LEU 38 -6.653 7.205 1.598 327 3HD2 LEU 38 3HD2 LEU 38 -6.890 6.683 -0.070 328 H VAL 39 H VAL 39 -3.818 2.827 2.439 329 HA VAL 39 HA VAL 39 -4.983 1.092 0.374 330 HB VAL 39 HB VAL 39 -2.360 0.369 1.641 331 1HG1 VAL 39 1HG1 VAL 39 -3.302 -1.509 0.666 332 2HG1 VAL 39 2HG1 VAL 39 -2.254 -0.896 -0.614 333 3HG1 VAL 39 3HG1 VAL 39 -3.989 -0.591 -0.674 334 1HG2 VAL 39 1HG2 VAL 39 -2.854 2.281 -0.560 335 2HG2 VAL 39 2HG2 VAL 39 -1.573 1.096 -0.814 336 3HG2 VAL 39 3HG2 VAL 39 -1.508 2.180 0.576 337 H ASP 40 H ASP 40 -5.919 -0.766 1.122 338 HA ASP 40 HA ASP 40 -5.796 -1.236 4.029 339 1HB ASP 40 2HB ASP 40 -8.039 -0.461 2.534 340 2HB ASP 40 1HB ASP 40 -8.261 -2.182 2.837 341 H THR 41 H THR 41 -4.648 -3.028 4.310 342 HA THR 41 HA THR 41 -5.112 -5.288 2.480 343 HB THR 41 HB THR 41 -2.745 -5.308 4.262 344 HG1 THR 41 1HG THR 41 -2.857 -3.633 1.979 345 1HG2 THR 41 1HG2 THR 41 -1.755 -5.843 1.877 346 2HG2 THR 41 2HG2 THR 41 -3.440 -6.240 1.540 347 3HG2 THR 41 3HG2 THR 41 -2.583 -7.066 2.841 348 H ALA 42 H ALA 42 -6.894 -6.113 3.582 349 HA ALA 42 HA ALA 42 -7.848 -7.660 4.971 350 1HB ALA 42 1HB ALA 42 -6.573 -9.046 6.321 351 2HB ALA 42 2HB ALA 42 -5.392 -7.785 6.676 352 3HB ALA 42 3HB ALA 42 -5.419 -8.545 5.085 353 H GLU 43 H GLU 43 -9.397 -6.862 6.196 354 HA GLU 43 HA GLU 43 -8.729 -5.503 8.681 355 1HB GLU 43 2HB GLU 43 -10.198 -3.613 8.250 356 2HB GLU 43 1HB GLU 43 -8.941 -3.689 7.024 357 1HG GLU 43 2HG GLU 43 -10.417 -4.396 5.374 358 2HG GLU 43 1HG GLU 43 -11.626 -4.915 6.547 359 H THR 44 H THR 44 -9.744 -8.065 8.259 360 HA THR 44 HA THR 44 -12.515 -8.327 8.296 361 HB THR 44 HB THR 44 -12.145 -10.508 9.324 362 HG1 THR 44 1HG THR 44 -10.643 -10.367 10.824 363 1HG2 THR 44 1HG2 THR 44 -9.741 -10.250 7.601 364 2HG2 THR 44 2HG2 THR 44 -11.331 -9.948 6.898 365 3HG2 THR 44 3HG2 THR 44 -10.977 -11.507 7.643 366 H LYS 45 H LYS 45 -13.579 -6.850 9.559 367 HA LYS 45 HA LYS 45 -12.994 -6.865 12.439 368 1HB LYS 45 2HB LYS 45 -14.384 -4.786 12.491 369 2HB LYS 45 1HB LYS 45 -12.925 -4.652 11.520 370 1HG LYS 45 2HG LYS 45 -15.056 -5.537 9.849 371 2HG LYS 45 1HG LYS 45 -15.591 -4.126 10.762 372 1HD LYS 45 2HD LYS 45 -12.881 -3.930 9.635 373 2HD LYS 45 1HD LYS 45 -14.182 -4.013 8.446 374 1HE LYS 45 2HE LYS 45 -14.242 -2.114 10.775 375 2HE LYS 45 1HE LYS 45 -13.486 -1.696 9.238 376 1HZ LYS 45 1HZ LYS 45 -15.564 -1.964 8.124 377 2HZ LYS 45 2HZ LYS 45 -15.819 -0.946 9.450 378 3HZ LYS 45 3HZ LYS 45 -16.311 -2.562 9.519 379 H HIS 46 H HIS 46 -14.569 -8.877 10.849 380 HA HIS 46 HA HIS 46 -17.076 -8.684 12.386 381 1HB HIS 46 2HB HIS 46 -16.986 -8.612 9.699 382 2HB HIS 46 1HB HIS 46 -17.031 -10.356 9.935 383 HD1 HIS 46 1HD HIS 46 -19.177 -11.331 11.093 384 HD2 HIS 46 2HD HIS 46 -19.366 -7.283 10.174 385 HE1 HIS 46 1HE HIS 46 -21.607 -10.711 11.285 386 HE2 HIS 46 2HE HIS 46 -21.683 -8.237 10.814 387 H THR 47 H THR 47 -14.377 -10.649 11.415 388 HA THR 47 HA THR 47 -13.544 -12.588 12.268 389 HB THR 47 HB THR 47 -15.784 -12.924 14.206 390 HG1 THR 47 1HG THR 47 -14.828 -11.321 15.539 391 1HG2 THR 47 1HG2 THR 47 -12.796 -13.178 14.380 392 2HG2 THR 47 2HG2 THR 47 -13.998 -14.468 14.433 393 3HG2 THR 47 3HG2 THR 47 -13.879 -13.318 15.765 394 H LYS 48 H LYS 48 -14.701 -12.975 10.013 395 HA LYS 48 HA LYS 48 -16.934 -14.797 10.133 396 1HB LYS 48 2HB LYS 48 -16.188 -13.097 8.236 397 2HB LYS 48 1HB LYS 48 -15.277 -14.490 7.671 398 1HG LYS 48 2HG LYS 48 -17.362 -15.799 7.617 399 2HG LYS 48 1HG LYS 48 -18.253 -14.357 8.105 400 1HD LYS 48 2HD LYS 48 -17.357 -13.212 6.071 401 2HD LYS 48 1HD LYS 48 -16.677 -14.760 5.566 402 1HE LYS 48 2HE LYS 48 -18.639 -14.984 4.486 403 2HE LYS 48 1HE LYS 48 -19.229 -15.485 6.071 404 1HZ LYS 48 1HZ LYS 48 -19.916 -13.190 6.477 405 2HZ LYS 48 2HZ LYS 48 -20.680 -13.832 5.112 406 3HZ LYS 48 3HZ LYS 48 -19.395 -12.748 4.930 407 H LYS 49 H LYS 49 -13.531 -15.045 9.111 408 HA LYS 49 HA LYS 49 -13.022 -17.480 10.356 409 1HB LYS 49 2HB LYS 49 -12.972 -18.987 8.346 410 2HB LYS 49 1HB LYS 49 -14.582 -18.546 8.897 411 1HG LYS 49 2HG LYS 49 -13.424 -16.802 6.830 412 2HG LYS 49 1HG LYS 49 -13.788 -18.453 6.331 413 1HD LYS 49 2HD LYS 49 -15.997 -17.588 7.836 414 2HD LYS 49 1HD LYS 49 -15.573 -16.244 6.774 415 1HE LYS 49 2HE LYS 49 -16.063 -17.407 4.876 416 2HE LYS 49 1HE LYS 49 -15.636 -18.963 5.588 417 1HZ LYS 49 1HZ LYS 49 -18.103 -17.409 6.161 418 2HZ LYS 49 2HZ LYS 49 -17.694 -18.892 6.863 419 3HZ LYS 49 3HZ LYS 49 -18.008 -18.802 5.204 420 H GLY 50 H GLY 50 -12.361 -15.371 7.621 421 1HA GLY 50 2HA GLY 50 -9.910 -14.547 8.008 422 2HA GLY 50 1HA GLY 50 -9.555 -16.221 7.609 423 H VAL 51 H VAL 51 -12.010 -16.028 5.729 424 HA VAL 51 HA VAL 51 -10.588 -14.660 3.540 425 HB VAL 51 HB VAL 51 -10.598 -17.128 3.312 426 1HG1 VAL 51 1HG1 VAL 51 -12.752 -18.223 2.701 427 2HG1 VAL 51 2HG1 VAL 51 -13.587 -16.759 3.219 428 3HG1 VAL 51 3HG1 VAL 51 -12.659 -17.704 4.383 429 1HG2 VAL 51 1HG2 VAL 51 -12.379 -16.126 1.148 430 2HG2 VAL 51 2HG2 VAL 51 -10.897 -17.077 1.042 431 3HG2 VAL 51 3HG2 VAL 51 -10.815 -15.348 1.387 432 H GLU 52 H GLU 52 -12.709 -13.664 5.394 433 HA GLU 52 HA GLU 52 -15.190 -13.528 4.090 434 1HB GLU 52 2HB GLU 52 -15.582 -11.519 5.515 435 2HB GLU 52 1HB GLU 52 -15.020 -12.924 6.410 436 1HG GLU 52 2HG GLU 52 -12.818 -12.016 6.585 437 2HG GLU 52 1HG GLU 52 -13.228 -10.688 5.500 438 H LYS 53 H LYS 53 -12.237 -11.715 3.679 439 HA LYS 53 HA LYS 53 -13.187 -10.635 1.191 440 1HB LYS 53 2HB LYS 53 -12.861 -8.283 1.754 441 2HB LYS 53 1HB LYS 53 -14.108 -8.995 2.768 442 1HG LYS 53 2HG LYS 53 -11.599 -9.273 4.086 443 2HG LYS 53 1HG LYS 53 -11.783 -7.600 3.556 444 1HD LYS 53 2HD LYS 53 -14.090 -8.943 4.880 445 2HD LYS 53 1HD LYS 53 -12.733 -8.415 5.877 446 1HE LYS 53 2HE LYS 53 -13.891 -6.479 5.937 447 2HE LYS 53 1HE LYS 53 -13.097 -6.209 4.386 448 1HZ LYS 53 1HZ LYS 53 -15.654 -7.637 4.405 449 2HZ LYS 53 2HZ LYS 53 -15.006 -6.604 3.233 450 3HZ LYS 53 3HZ LYS 53 -15.675 -5.962 4.648 451 H TYR 54 H TYR 54 -11.093 -12.389 1.966 452 HA TYR 54 HA TYR 54 -8.901 -12.802 1.531 453 1HB TYR 54 2HB TYR 54 -9.338 -10.321 -0.118 454 2HB TYR 54 1HB TYR 54 -7.768 -11.115 -0.055 455 HD1 TYR 54 2HD TYR 54 -7.525 -13.435 -0.917 456 HD2 TYR 54 1HD TYR 54 -11.132 -11.229 -1.396 457 HE1 TYR 54 2HE TYR 54 -8.243 -15.000 -2.673 458 HE2 TYR 54 1HE TYR 54 -11.859 -12.789 -3.152 459 HH TYR 54 HH TYR 54 -11.360 -15.225 -3.774 460 H GLY 55 H GLY 55 -9.087 -12.033 3.984 461 1HA GLY 55 2HA GLY 55 -7.448 -9.667 4.474 462 2HA GLY 55 1HA GLY 55 -8.289 -10.619 5.688 463 H ALA 56 H ALA 56 -7.350 -13.152 5.153 464 HA ALA 56 HA ALA 56 -4.817 -13.089 6.426 465 1HB ALA 56 1HB ALA 56 -5.605 -15.592 5.091 466 2HB ALA 56 2HB ALA 56 -6.773 -14.939 6.240 467 3HB ALA 56 3HB ALA 56 -5.125 -15.296 6.762 468 H GLU 57 H GLU 57 -5.845 -13.366 3.102 469 HA GLU 57 HA GLU 57 -3.286 -14.216 2.112 470 1HB GLU 57 2HB GLU 57 -5.426 -14.757 0.973 471 2HB GLU 57 1HB GLU 57 -5.632 -13.050 0.604 472 1HG GLU 57 2HG GLU 57 -4.692 -13.664 -1.343 473 2HG GLU 57 1HG GLU 57 -3.200 -13.421 -0.435 474 H ALA 58 H ALA 58 -4.912 -11.182 2.662 475 HA ALA 58 HA ALA 58 -3.427 -9.494 1.010 476 1HB ALA 58 1HB ALA 58 -5.446 -9.158 2.827 477 2HB ALA 58 2HB ALA 58 -4.603 -7.857 1.987 478 3HB ALA 58 3HB ALA 58 -4.096 -8.332 3.608 479 H SER 59 H SER 59 -2.828 -10.480 4.367 480 HA SER 59 HA SER 59 -0.388 -9.022 4.592 481 1HB SER 59 2HB SER 59 -1.686 -9.589 6.581 482 2HB SER 59 1HB SER 59 -1.474 -11.310 6.254 483 HG SER 59 HG SER 59 0.681 -9.518 6.679 484 H ALA 60 H ALA 60 -1.232 -12.339 3.764 485 HA ALA 60 HA ALA 60 1.356 -13.432 3.821 486 1HB ALA 60 1HB ALA 60 -1.249 -14.201 2.658 487 2HB ALA 60 2HB ALA 60 -0.148 -15.117 3.688 488 3HB ALA 60 3HB ALA 60 0.183 -14.960 1.963 489 H PHE 61 H PHE 61 -0.386 -11.642 1.356 490 HA PHE 61 HA PHE 61 1.452 -12.160 -0.757 491 1HB PHE 61 2HB PHE 61 -0.782 -11.498 -1.329 492 2HB PHE 61 1HB PHE 61 -0.659 -10.031 -0.366 493 HD1 PHE 61 1HD PHE 61 0.978 -8.246 -1.116 494 HD2 PHE 61 2HD PHE 61 -0.197 -11.506 -3.586 495 HE1 PHE 61 1HE PHE 61 1.718 -7.000 -3.105 496 HE2 PHE 61 2HE PHE 61 0.543 -10.267 -5.579 497 HZ PHE 61 HZ PHE 61 1.502 -8.010 -5.340 498 H THR 62 H THR 62 0.971 -9.409 1.439 499 HA THR 62 HA THR 62 3.196 -7.942 0.403 500 HB THR 62 HB THR 62 1.747 -7.583 3.033 501 HG1 THR 62 1HG THR 62 0.218 -6.629 1.957 502 1HG2 THR 62 1HG2 THR 62 3.454 -6.123 3.302 503 2HG2 THR 62 2HG2 THR 62 2.380 -5.110 2.334 504 3HG2 THR 62 3HG2 THR 62 3.730 -5.949 1.569 505 H LYS 63 H LYS 63 2.635 -9.862 3.324 506 HA LYS 63 HA LYS 63 5.066 -9.462 4.604 507 1HB LYS 63 2HB LYS 63 3.228 -10.539 5.722 508 2HB LYS 63 1HB LYS 63 3.240 -11.865 4.571 509 1HG LYS 63 2HG LYS 63 5.808 -11.841 5.642 510 2HG LYS 63 1HG LYS 63 4.738 -11.526 7.010 511 1HD LYS 63 2HD LYS 63 3.403 -13.520 5.729 512 2HD LYS 63 1HD LYS 63 5.080 -13.956 5.396 513 1HE LYS 63 2HE LYS 63 5.514 -14.464 7.553 514 2HE LYS 63 1HE LYS 63 4.502 -13.159 8.172 515 1HZ LYS 63 1HZ LYS 63 3.441 -15.136 8.794 516 2HZ LYS 63 2HZ LYS 63 3.664 -15.853 7.279 517 3HZ LYS 63 3HZ LYS 63 2.559 -14.585 7.458 518 H LYS 64 H LYS 64 4.223 -11.787 2.081 519 HA LYS 64 HA LYS 64 6.748 -13.142 2.169 520 1HB LYS 64 2HB LYS 64 4.521 -13.127 0.129 521 2HB LYS 64 1HB LYS 64 5.952 -14.134 -0.005 522 1HG LYS 64 2HG LYS 64 3.601 -14.872 1.134 523 2HG LYS 64 1HG LYS 64 5.156 -15.648 1.416 524 1HD LYS 64 2HD LYS 64 5.491 -14.139 3.363 525 2HD LYS 64 1HD LYS 64 3.866 -13.504 3.103 526 1HE LYS 64 2HE LYS 64 3.229 -15.110 4.532 527 2HE LYS 64 1HE LYS 64 3.405 -16.188 3.148 528 1HZ LYS 64 1HZ LYS 64 4.635 -16.574 5.466 529 2HZ LYS 64 2HZ LYS 64 5.823 -15.667 4.674 530 3HZ LYS 64 3HZ LYS 64 5.264 -17.109 3.989 531 H MET 65 H MET 65 5.211 -11.035 -0.215 532 HA MET 65 HA MET 65 7.382 -10.762 -1.939 533 1HB MET 65 2HB MET 65 5.079 -10.096 -2.502 534 2HB MET 65 1HB MET 65 5.199 -8.748 -1.380 535 1HG MET 65 2HG MET 65 6.016 -7.488 -2.996 536 2HG MET 65 1HG MET 65 7.405 -8.565 -3.126 537 1HE MET 65 1HE MET 65 4.407 -7.082 -5.025 538 2HE MET 65 2HE MET 65 3.637 -8.321 -4.034 539 3HE MET 65 3HE MET 65 3.675 -8.493 -5.789 540 H VAL 66 H VAL 66 6.651 -9.101 1.048 541 HA VAL 66 HA VAL 66 8.662 -7.074 0.635 542 HB VAL 66 HB VAL 66 6.549 -6.729 1.975 543 1HG1 VAL 66 1HG1 VAL 66 6.409 -7.485 4.222 544 2HG1 VAL 66 2HG1 VAL 66 8.046 -8.139 4.169 545 3HG1 VAL 66 3HG1 VAL 66 6.766 -8.895 3.222 546 1HG2 VAL 66 1HG2 VAL 66 9.122 -6.104 3.411 547 2HG2 VAL 66 2HG2 VAL 66 7.597 -5.227 3.535 548 3HG2 VAL 66 3HG2 VAL 66 8.503 -5.213 2.022 549 H GLU 67 H GLU 67 8.322 -9.974 2.654 550 HA GLU 67 HA GLU 67 10.901 -9.679 3.857 551 1HB GLU 67 2HB GLU 67 8.879 -11.908 3.789 552 2HB GLU 67 1HB GLU 67 10.450 -12.109 4.554 553 1HG GLU 67 2HG GLU 67 8.944 -9.718 5.363 554 2HG GLU 67 1HG GLU 67 8.236 -11.264 5.831 555 H ASN 68 H ASN 68 9.693 -11.125 0.955 556 HA ASN 68 HA ASN 68 12.069 -12.741 0.543 557 1HB ASN 68 2HB ASN 68 9.641 -13.325 -0.171 558 2HB ASN 68 1HB ASN 68 9.953 -12.254 -1.534 559 1HD2 ASN 68 1HD2 ASN 68 9.466 -15.137 -1.455 560 2HD2 ASN 68 2HD2 ASN 68 10.830 -15.868 -2.223 561 H ALA 69 H ALA 69 10.756 -9.675 -0.477 562 HA ALA 69 HA ALA 69 12.271 -9.194 -2.762 563 1HB ALA 69 1HB ALA 69 12.064 -6.711 -1.783 564 2HB ALA 69 2HB ALA 69 10.856 -7.519 -0.783 565 3HB ALA 69 3HB ALA 69 10.720 -7.563 -2.541 566 H LYS 70 H LYS 70 13.138 -8.994 0.614 567 HA LYS 70 HA LYS 70 15.161 -8.899 1.646 568 1HB LYS 70 2HB LYS 70 16.021 -9.263 -1.172 569 2HB LYS 70 1HB LYS 70 17.215 -8.639 -0.046 570 1HG LYS 70 2HG LYS 70 17.086 -10.566 1.308 571 2HG LYS 70 1HG LYS 70 15.630 -11.131 0.489 572 1HD LYS 70 2HD LYS 70 16.790 -11.831 -1.379 573 2HD LYS 70 1HD LYS 70 18.132 -10.721 -1.087 574 1HE LYS 70 2HE LYS 70 17.596 -12.901 0.876 575 2HE LYS 70 1HE LYS 70 18.388 -13.299 -0.648 576 1HZ LYS 70 1HZ LYS 70 19.734 -12.564 1.482 577 2HZ LYS 70 2HZ LYS 70 19.432 -11.022 0.855 578 3HZ LYS 70 3HZ LYS 70 20.252 -12.168 -0.080 579 H LYS 71 H LYS 71 14.243 -6.536 -0.706 580 HA LYS 71 HA LYS 71 15.641 -4.495 0.871 581 1HB LYS 71 2HB LYS 71 16.914 -4.832 -1.193 582 2HB LYS 71 1HB LYS 71 15.457 -4.587 -2.148 583 1HG LYS 71 2HG LYS 71 15.531 -2.302 -0.674 584 2HG LYS 71 1HG LYS 71 17.247 -2.637 -0.903 585 1HD LYS 71 2HD LYS 71 15.926 -3.087 -3.379 586 2HD LYS 71 1HD LYS 71 15.389 -1.527 -2.750 587 1HE LYS 71 2HE LYS 71 18.051 -1.381 -2.270 588 2HE LYS 71 1HE LYS 71 18.034 -2.372 -3.729 589 1HZ LYS 71 1HZ LYS 71 18.017 0.266 -3.790 590 2HZ LYS 71 2HZ LYS 71 16.347 0.002 -3.741 591 3HZ LYS 71 3HZ LYS 71 17.273 -0.674 -4.985 592 H ILE 72 H ILE 72 14.212 -3.119 1.697 593 HA ILE 72 HA ILE 72 11.733 -2.608 0.185 594 HB ILE 72 HB ILE 72 11.998 -2.633 3.191 595 1HG1 ILE 72 2HG1 ILE 72 10.443 -4.666 2.910 596 2HG1 ILE 72 1HG1 ILE 72 10.986 -4.691 1.235 597 1HG2 ILE 72 1HG2 ILE 72 9.802 -1.973 1.297 598 2HG2 ILE 72 2HG2 ILE 72 10.233 -1.224 2.834 599 3HG2 ILE 72 3HG2 ILE 72 9.392 -2.774 2.814 600 1HD1 ILE 72 1HD1 ILE 72 13.012 -5.505 1.770 601 2HD1 ILE 72 2HD1 ILE 72 12.157 -6.075 3.204 602 3HD1 ILE 72 3HD1 ILE 72 13.106 -4.589 3.274 603 H GLU 73 H GLU 73 11.094 -0.561 -0.093 604 HA GLU 73 HA GLU 73 12.586 1.579 1.271 605 1HB GLU 73 2HB GLU 73 11.914 1.324 -1.657 606 2HB GLU 73 1HB GLU 73 12.300 2.872 -0.920 607 1HG GLU 73 2HG GLU 73 14.491 2.426 -0.827 608 2HG GLU 73 1HG GLU 73 14.233 0.746 -0.359 609 H VAL 74 H VAL 74 11.393 3.455 1.758 610 HA VAL 74 HA VAL 74 8.506 3.279 1.219 611 HB VAL 74 HB VAL 74 8.006 4.119 3.441 612 1HG1 VAL 74 1HG1 VAL 74 7.840 1.993 4.044 613 2HG1 VAL 74 2HG1 VAL 74 9.548 1.974 4.480 614 3HG1 VAL 74 3HG1 VAL 74 9.051 1.550 2.842 615 1HG2 VAL 74 1HG2 VAL 74 10.559 3.648 4.703 616 2HG2 VAL 74 2HG2 VAL 74 9.506 5.058 4.789 617 3HG2 VAL 74 3HG2 VAL 74 10.675 4.911 3.478 618 H GLU 75 H GLU 75 7.372 5.212 1.042 619 HA GLU 75 HA GLU 75 8.988 7.665 0.898 620 1HB GLU 75 2HB GLU 75 8.670 6.887 -1.379 621 2HB GLU 75 1HB GLU 75 6.942 6.706 -1.112 622 1HG GLU 75 2HG GLU 75 7.538 9.364 -0.471 623 2HG GLU 75 1HG GLU 75 8.428 9.008 -1.951 624 H PHE 76 H PHE 76 8.217 9.061 2.337 625 HA PHE 76 HA PHE 76 5.546 8.803 3.382 626 1HB PHE 76 2HB PHE 76 7.899 10.556 4.004 627 2HB PHE 76 1HB PHE 76 6.310 10.946 4.657 628 HD1 PHE 76 1HD PHE 76 8.932 8.343 4.552 629 HD2 PHE 76 2HD PHE 76 5.438 9.786 6.506 630 HE1 PHE 76 1HE PHE 76 9.297 6.738 6.380 631 HE2 PHE 76 2HE PHE 76 5.798 8.186 8.339 632 HZ PHE 76 HZ PHE 76 7.729 6.659 8.278 633 H ASP 77 H ASP 77 3.887 10.305 3.268 634 HA ASP 77 HA ASP 77 3.857 11.876 0.831 635 1HB ASP 77 2HB ASP 77 1.479 12.050 1.176 636 2HB ASP 77 1HB ASP 77 1.955 10.386 1.495 637 H LYS 78 H LYS 78 1.909 13.821 1.778 638 HA LYS 78 HA LYS 78 3.742 15.573 3.271 639 1HB LYS 78 2HB LYS 78 1.590 16.195 1.253 640 2HB LYS 78 1HB LYS 78 2.336 17.429 2.259 641 1HG LYS 78 2HG LYS 78 3.782 15.643 0.312 642 2HG LYS 78 1HG LYS 78 3.346 17.331 0.040 643 1HD LYS 78 2HD LYS 78 4.721 17.937 2.027 644 2HD LYS 78 1HD LYS 78 5.246 16.255 2.121 645 1HE LYS 78 2HE LYS 78 6.628 16.451 0.345 646 2HE LYS 78 1HE LYS 78 5.539 17.538 -0.514 647 1HZ LYS 78 1HZ LYS 78 7.835 18.321 0.558 648 2HZ LYS 78 2HZ LYS 78 6.806 18.620 1.867 649 3HZ LYS 78 3HZ LYS 78 6.506 19.352 0.372 650 H GLY 79 H GLY 79 0.631 14.083 3.306 651 1HA GLY 79 2HA GLY 79 -0.806 15.791 4.977 652 2HA GLY 79 1HA GLY 79 -1.038 14.054 4.878 653 H GLN 80 H GLN 80 -0.540 12.851 6.602 654 HA GLN 80 HA GLN 80 1.019 14.133 8.749 655 1HB GLN 80 2HB GLN 80 -0.309 12.815 10.347 656 2HB GLN 80 1HB GLN 80 -1.316 13.888 9.386 657 1HG GLN 80 2HG GLN 80 -1.358 11.589 7.912 658 2HG GLN 80 1HG GLN 80 -1.305 10.977 9.565 659 1HE2 GLN 80 1HE2 GLN 80 -3.003 13.291 7.499 660 2HE2 GLN 80 2HE2 GLN 80 -4.539 13.125 8.273 661 H ARG 81 H ARG 81 2.676 13.031 9.649 662 HA ARG 81 HA ARG 81 3.701 10.753 8.267 663 1HB ARG 81 2HB ARG 81 5.025 12.627 9.416 664 2HB ARG 81 1HB ARG 81 4.696 11.777 10.920 665 1HG ARG 81 2HG ARG 81 5.983 9.937 10.303 666 2HG ARG 81 1HG ARG 81 5.955 10.376 8.594 667 1HD ARG 81 2HD ARG 81 7.145 12.560 9.624 668 2HD ARG 81 1HD ARG 81 7.687 11.343 10.779 669 HE ARG 81 HE ARG 81 8.078 10.372 8.174 670 1HH1 ARG 81 1HH1 ARG 81 9.330 12.807 10.337 671 2HH1 ARG 81 2HH1 ARG 81 10.911 12.799 9.631 672 1HH2 ARG 81 1HH2 ARG 81 10.156 10.360 7.244 673 2HH2 ARG 81 2HH2 ARG 81 11.381 11.410 7.875 674 H THR 82 H THR 82 1.777 11.237 11.104 675 HA THR 82 HA THR 82 1.603 8.340 11.460 676 HB THR 82 HB THR 82 1.788 8.518 13.880 677 HG1 THR 82 1HG THR 82 1.027 10.624 14.164 678 1HG2 THR 82 1HG2 THR 82 4.186 10.030 13.465 679 2HG2 THR 82 2HG2 THR 82 3.943 8.883 12.147 680 3HG2 THR 82 3HG2 THR 82 3.985 8.313 13.815 681 H ASP 83 H ASP 83 -0.465 7.901 11.117 682 HA ASP 83 HA ASP 83 -2.549 9.808 11.362 683 1HB ASP 83 2HB ASP 83 -2.419 7.695 9.870 684 2HB ASP 83 1HB ASP 83 -3.014 6.840 11.290 685 H LYS 84 H LYS 84 -1.804 10.301 13.677 686 HA LYS 84 HA LYS 84 -2.141 10.243 15.933 687 1HB LYS 84 2HB LYS 84 -4.824 9.074 15.202 688 2HB LYS 84 1HB LYS 84 -4.426 10.036 16.618 689 1HG LYS 84 2HG LYS 84 -3.963 11.273 13.968 690 2HG LYS 84 1HG LYS 84 -5.636 11.053 14.485 691 1HD LYS 84 2HD LYS 84 -3.846 12.159 16.535 692 2HD LYS 84 1HD LYS 84 -4.085 13.194 15.126 693 1HE LYS 84 2HE LYS 84 -5.876 13.882 16.331 694 2HE LYS 84 1HE LYS 84 -6.622 12.484 15.558 695 1HZ LYS 84 1HZ LYS 84 -5.634 11.301 17.681 696 2HZ LYS 84 2HZ LYS 84 -7.149 12.052 17.705 697 3HZ LYS 84 3HZ LYS 84 -5.800 12.853 18.335 698 H TYR 85 H TYR 85 -1.004 7.809 14.707 699 HA TYR 85 HA TYR 85 -1.537 6.007 16.951 700 1HB TYR 85 2HB TYR 85 -1.589 5.217 14.036 701 2HB TYR 85 1HB TYR 85 -1.454 4.058 15.355 702 HD1 TYR 85 1HD TYR 85 -3.333 4.866 17.325 703 HD2 TYR 85 2HD TYR 85 -3.688 5.123 13.094 704 HE1 TYR 85 1HE TYR 85 -5.783 4.815 17.534 705 HE2 TYR 85 2HE TYR 85 -6.138 5.073 13.290 706 HH TYR 85 HH TYR 85 -7.760 4.038 15.819 707 H GLY 86 H GLY 86 0.666 7.864 15.845 708 1HA GLY 86 2HA GLY 86 2.959 7.873 15.692 709 2HA GLY 86 1HA GLY 86 2.874 6.582 16.881 710 H ARG 87 H ARG 87 1.452 6.168 13.735 711 HA ARG 87 HA ARG 87 3.304 3.995 13.200 712 1HB ARG 87 2HB ARG 87 0.907 4.920 11.604 713 2HB ARG 87 1HB ARG 87 1.794 3.419 11.373 714 1HG ARG 87 2HG ARG 87 1.131 2.751 13.678 715 2HG ARG 87 1HG ARG 87 0.115 4.193 13.748 716 1HD ARG 87 2HD ARG 87 -0.813 3.223 11.477 717 2HD ARG 87 1HD ARG 87 -0.211 1.705 12.143 718 HE ARG 87 HE ARG 87 -2.545 3.110 12.948 719 1HH1 ARG 87 1HH1 ARG 87 0.052 1.127 14.173 720 2HH1 ARG 87 2HH1 ARG 87 -0.871 0.525 15.509 721 1HH2 ARG 87 1HH2 ARG 87 -3.760 2.320 14.705 722 2HH2 ARG 87 2HH2 ARG 87 -3.035 1.201 15.811 723 H GLY 88 H GLY 88 3.587 3.832 10.571 724 1HA GLY 88 2HA GLY 88 4.995 6.330 9.859 725 2HA GLY 88 1HA GLY 88 5.550 4.726 9.407 726 H LEU 89 H LEU 89 2.785 6.927 8.993 727 HA LEU 89 HA LEU 89 1.581 5.658 6.833 728 1HB LEU 89 2HB LEU 89 1.668 8.490 7.786 729 2HB LEU 89 1HB LEU 89 0.921 8.133 6.240 730 HG LEU 89 HG LEU 89 0.085 7.060 8.934 731 1HD1 LEU 89 1HD1 LEU 89 -2.089 8.235 7.968 732 2HD1 LEU 89 2HD1 LEU 89 -0.877 9.208 7.132 733 3HD1 LEU 89 3HD1 LEU 89 -0.875 9.119 8.893 734 1HD2 LEU 89 1HD2 LEU 89 -0.525 5.272 7.687 735 2HD2 LEU 89 2HD2 LEU 89 -0.532 6.186 6.179 736 3HD2 LEU 89 3HD2 LEU 89 -1.892 6.314 7.294 737 H ALA 90 H ALA 90 2.504 5.083 4.983 738 HA ALA 90 HA ALA 90 3.511 6.902 3.118 739 1HB ALA 90 1HB ALA 90 5.639 5.441 4.673 740 2HB ALA 90 2HB ALA 90 5.434 7.184 4.512 741 3HB ALA 90 3HB ALA 90 5.915 6.221 3.115 742 H TYR 91 H TYR 91 4.484 5.814 1.211 743 HA TYR 91 HA TYR 91 3.095 3.342 0.697 744 1HB TYR 91 2HB TYR 91 4.943 4.993 -1.040 745 2HB TYR 91 1HB TYR 91 4.048 3.582 -1.592 746 HD1 TYR 91 2HD TYR 91 1.467 3.681 -1.331 747 HD2 TYR 91 1HD TYR 91 3.988 7.106 -1.200 748 HE1 TYR 91 2HE TYR 91 -0.458 5.111 -1.872 749 HE2 TYR 91 1HE TYR 91 2.070 8.545 -1.741 750 HH TYR 91 HH TYR 91 -0.107 8.418 -2.735 751 H ILE 92 H ILE 92 3.975 1.334 0.329 752 HA ILE 92 HA ILE 92 6.761 0.999 1.205 753 HB ILE 92 HB ILE 92 4.624 -1.123 1.009 754 1HG1 ILE 92 2HG1 ILE 92 4.112 0.685 2.676 755 2HG1 ILE 92 1HG1 ILE 92 4.307 -0.916 3.382 756 1HG2 ILE 92 1HG2 ILE 92 6.971 -1.898 0.880 757 2HG2 ILE 92 2HG2 ILE 92 6.122 -2.488 2.308 758 3HG2 ILE 92 3HG2 ILE 92 7.269 -1.157 2.452 759 1HD1 ILE 92 1HD1 ILE 92 6.831 0.410 3.364 760 2HD1 ILE 92 2HD1 ILE 92 5.874 -0.151 4.735 761 3HD1 ILE 92 3HD1 ILE 92 5.616 1.467 4.084 762 H TYR 93 H TYR 93 8.266 0.117 -0.103 763 HA TYR 93 HA TYR 93 7.379 -0.995 -2.676 764 1HB TYR 93 2HB TYR 93 9.773 0.821 -2.363 765 2HB TYR 93 1HB TYR 93 9.096 0.197 -3.864 766 HD1 TYR 93 1HD TYR 93 6.929 1.067 -4.697 767 HD2 TYR 93 2HD TYR 93 8.858 2.755 -1.301 768 HE1 TYR 93 1HE TYR 93 5.516 3.070 -4.897 769 HE2 TYR 93 2HE TYR 93 7.449 4.762 -1.491 770 HH TYR 93 HH TYR 93 5.574 5.439 -4.233 771 H ALA 94 H ALA 94 8.221 -2.919 -3.118 772 HA ALA 94 HA ALA 94 10.534 -3.820 -1.539 773 1HB ALA 94 1HB ALA 94 9.425 -6.068 -2.711 774 2HB ALA 94 2HB ALA 94 8.031 -5.073 -2.295 775 3HB ALA 94 3HB ALA 94 9.192 -5.530 -1.049 776 H ASP 95 H ASP 95 12.403 -4.103 -2.541 777 HA ASP 95 HA ASP 95 13.952 -4.021 -4.231 778 1HB ASP 95 2HB ASP 95 13.190 -6.442 -3.997 779 2HB ASP 95 1HB ASP 95 12.238 -6.177 -5.454 780 H GLY 96 H GLY 96 12.103 -2.007 -4.667 781 1HA GLY 96 2HA GLY 96 11.736 -0.483 -6.371 782 2HA GLY 96 1HA GLY 96 12.405 -1.642 -7.506 783 H LYS 97 H LYS 97 9.858 -2.755 -5.469 784 HA LYS 97 HA LYS 97 7.972 -2.493 -7.717 785 1HB LYS 97 2HB LYS 97 8.645 -4.809 -7.451 786 2HB LYS 97 1HB LYS 97 8.270 -4.755 -5.734 787 1HG LYS 97 2HG LYS 97 5.900 -4.355 -6.306 788 2HG LYS 97 1HG LYS 97 6.315 -4.553 -8.011 789 1HD LYS 97 2HD LYS 97 6.916 -6.658 -5.947 790 2HD LYS 97 1HD LYS 97 5.379 -6.594 -6.812 791 1HE LYS 97 2HE LYS 97 7.129 -6.398 -8.868 792 2HE LYS 97 1HE LYS 97 8.052 -7.397 -7.746 793 1HZ LYS 97 1HZ LYS 97 6.862 -8.937 -8.961 794 2HZ LYS 97 2HZ LYS 97 5.473 -7.976 -9.048 795 3HZ LYS 97 3HZ LYS 97 5.879 -8.744 -7.596 796 H MET 98 H MET 98 5.915 -1.824 -7.286 797 HA MET 98 HA MET 98 5.486 -0.523 -4.749 798 1HB MET 98 2HB MET 98 4.701 0.044 -7.293 799 2HB MET 98 1HB MET 98 3.236 -0.681 -6.647 800 1HG MET 98 2HG MET 98 2.824 1.045 -5.263 801 2HG MET 98 1HG MET 98 4.532 1.337 -4.941 802 1HE MET 98 1HE MET 98 3.606 3.640 -4.766 803 2HE MET 98 2HE MET 98 2.208 3.958 -5.793 804 3HE MET 98 3HE MET 98 3.736 4.781 -6.104 805 H VAL 99 H VAL 99 4.705 -1.548 -3.038 806 HA VAL 99 HA VAL 99 3.444 -4.103 -3.217 807 HB VAL 99 HB VAL 99 3.544 -2.287 -0.807 808 1HG1 VAL 99 1HG1 VAL 99 2.681 -3.975 0.369 809 2HG1 VAL 99 2HG1 VAL 99 3.752 -5.155 -0.387 810 3HG1 VAL 99 3HG1 VAL 99 2.247 -4.695 -1.181 811 1HG2 VAL 99 1HG2 VAL 99 5.735 -3.233 -2.196 812 2HG2 VAL 99 2HG2 VAL 99 5.521 -4.419 -0.908 813 3HG2 VAL 99 3HG2 VAL 99 5.715 -2.711 -0.511 814 H ASN 100 H ASN 100 2.320 -0.811 -2.616 815 HA ASN 100 HA ASN 100 -0.325 -1.429 -1.905 816 1HB ASN 100 2HB ASN 100 -0.804 0.937 -2.664 817 2HB ASN 100 1HB ASN 100 0.473 0.771 -1.463 818 1HD2 ASN 100 1HD2 ASN 100 2.582 1.202 -2.029 819 2HD2 ASN 100 2HD2 ASN 100 3.010 1.993 -3.504 820 H GLU 101 H GLU 101 1.063 -0.557 -5.064 821 HA GLU 101 HA GLU 101 -1.367 -0.817 -6.492 822 1HB GLU 101 2HB GLU 101 1.470 -1.011 -7.516 823 2HB GLU 101 1HB GLU 101 0.036 -0.760 -8.502 824 1HG GLU 101 2HG GLU 101 -0.255 1.304 -6.855 825 2HG GLU 101 1HG GLU 101 1.496 1.128 -6.753 826 H ALA 102 H ALA 102 1.335 -3.035 -5.919 827 HA ALA 102 HA ALA 102 0.542 -5.105 -7.607 828 1HB ALA 102 1HB ALA 102 2.726 -4.856 -6.339 829 2HB ALA 102 2HB ALA 102 2.054 -6.482 -6.448 830 3HB ALA 102 3HB ALA 102 1.882 -5.556 -4.957 831 H LEU 103 H LEU 103 -0.275 -4.528 -4.198 832 HA LEU 103 HA LEU 103 -1.811 -6.860 -3.835 833 1HB LEU 103 2HB LEU 103 -1.783 -4.194 -2.442 834 2HB LEU 103 1HB LEU 103 -2.872 -5.479 -1.957 835 HG LEU 103 HG LEU 103 0.023 -6.133 -2.137 836 1HD1 LEU 103 1HD1 LEU 103 -1.053 -4.793 0.316 837 2HD1 LEU 103 2HD1 LEU 103 -0.286 -3.865 -0.971 838 3HD1 LEU 103 3HD1 LEU 103 0.621 -5.120 -0.129 839 1HD2 LEU 103 1HD2 LEU 103 -0.579 -7.465 -0.130 840 2HD2 LEU 103 2HD2 LEU 103 -1.521 -7.882 -1.562 841 3HD2 LEU 103 3HD2 LEU 103 -2.238 -6.889 -0.292 842 H VAL 104 H VAL 104 -2.840 -3.517 -4.507 843 HA VAL 104 HA VAL 104 -5.581 -4.063 -4.707 844 HB VAL 104 HB VAL 104 -4.104 -1.870 -6.158 845 1HG1 VAL 104 1HG1 VAL 104 -6.694 -2.548 -6.427 846 2HG1 VAL 104 2HG1 VAL 104 -6.098 -0.894 -6.566 847 3HG1 VAL 104 3HG1 VAL 104 -6.804 -1.453 -5.049 848 1HG2 VAL 104 1HG2 VAL 104 -4.017 -2.299 -3.454 849 2HG2 VAL 104 2HG2 VAL 104 -5.386 -1.199 -3.619 850 3HG2 VAL 104 3HG2 VAL 104 -3.805 -0.738 -4.247 851 H ARG 105 H ARG 105 -3.138 -3.731 -7.290 852 HA ARG 105 HA ARG 105 -4.833 -4.201 -9.447 853 1HB ARG 105 2HB ARG 105 -2.900 -4.542 -10.757 854 2HB ARG 105 1HB ARG 105 -2.412 -3.421 -9.496 855 1HG ARG 105 2HG ARG 105 -1.299 -5.179 -8.291 856 2HG ARG 105 1HG ARG 105 -1.904 -6.388 -9.424 857 1HD ARG 105 2HD ARG 105 -0.536 -4.281 -10.831 858 2HD ARG 105 1HD ARG 105 0.501 -4.956 -9.576 859 HE ARG 105 HE ARG 105 -0.371 -6.249 -11.990 860 1HH1 ARG 105 1HH1 ARG 105 0.781 -6.746 -8.734 861 2HH1 ARG 105 2HH1 ARG 105 1.398 -8.330 -9.061 862 1HH2 ARG 105 1HH2 ARG 105 0.440 -8.334 -12.421 863 2HH2 ARG 105 2HH2 ARG 105 1.205 -9.232 -11.154 864 H GLN 106 H GLN 106 -3.370 -6.431 -7.201 865 HA GLN 106 HA GLN 106 -4.110 -8.754 -8.769 866 1HB GLN 106 2HB GLN 106 -2.059 -8.382 -7.114 867 2HB GLN 106 1HB GLN 106 -3.217 -8.989 -5.937 868 1HG GLN 106 2HG GLN 106 -2.799 -11.057 -6.576 869 2HG GLN 106 1HG GLN 106 -3.318 -10.670 -8.214 870 1HE2 GLN 106 1HE2 GLN 106 -1.562 -9.317 -9.413 871 2HE2 GLN 106 2HE2 GLN 106 0.034 -9.974 -9.332 872 H GLY 107 H GLY 107 -5.442 -6.803 -6.260 873 1HA GLY 107 2HA GLY 107 -7.734 -6.895 -5.667 874 2HA GLY 107 1HA GLY 107 -7.767 -8.583 -6.157 875 H LEU 108 H LEU 108 -5.453 -6.987 -4.021 876 HA LEU 108 HA LEU 108 -6.374 -8.752 -1.846 877 1HB LEU 108 2HB LEU 108 -3.646 -7.960 -2.751 878 2HB LEU 108 1HB LEU 108 -3.904 -8.257 -1.042 879 HG LEU 108 HG LEU 108 -3.034 -10.229 -2.271 880 1HD1 LEU 108 1HD1 LEU 108 -4.023 -10.971 -0.370 881 2HD1 LEU 108 2HD1 LEU 108 -5.110 -11.720 -1.539 882 3HD1 LEU 108 3HD1 LEU 108 -5.572 -10.215 -0.744 883 1HD2 LEU 108 1HD2 LEU 108 -5.677 -10.746 -3.484 884 2HD2 LEU 108 2HD2 LEU 108 -4.061 -11.170 -4.051 885 3HD2 LEU 108 3HD2 LEU 108 -4.672 -9.531 -4.274 886 H ALA 109 H ALA 109 -5.265 -5.540 -2.724 887 HA ALA 109 HA ALA 109 -6.111 -4.586 -0.067 888 1HB ALA 109 1HB ALA 109 -4.517 -2.717 -0.375 889 2HB ALA 109 2HB ALA 109 -3.951 -3.486 -1.858 890 3HB ALA 109 3HB ALA 109 -3.734 -4.295 -0.306 891 H LYS 110 H LYS 110 -7.117 -2.502 0.018 892 HA LYS 110 HA LYS 110 -8.254 -1.594 -2.540 893 1HB LYS 110 2HB LYS 110 -10.391 -1.151 -1.332 894 2HB LYS 110 1HB LYS 110 -9.987 -2.857 -1.456 895 1HG LYS 110 2HG LYS 110 -10.397 -2.958 0.725 896 2HG LYS 110 1HG LYS 110 -8.851 -2.134 0.937 897 1HD LYS 110 2HD LYS 110 -9.924 -0.428 1.875 898 2HD LYS 110 1HD LYS 110 -10.759 -0.141 0.348 899 1HE LYS 110 2HE LYS 110 -11.764 -2.274 2.172 900 2HE LYS 110 1HE LYS 110 -12.102 -0.589 2.562 901 1HZ LYS 110 1HZ LYS 110 -13.104 -2.224 0.366 902 2HZ LYS 110 2HZ LYS 110 -12.807 -0.595 0.025 903 3HZ LYS 110 3HZ LYS 110 -13.883 -1.017 1.259 904 H VAL 111 H VAL 111 -9.596 0.580 -1.898 905 HA VAL 111 HA VAL 111 -7.551 2.450 -1.184 906 HB VAL 111 HB VAL 111 -10.488 3.030 -1.567 907 1HG1 VAL 111 1HG1 VAL 111 -8.013 4.737 -1.780 908 2HG1 VAL 111 2HG1 VAL 111 -9.300 4.869 -0.581 909 3HG1 VAL 111 3HG1 VAL 111 -9.627 5.252 -2.272 910 1HG2 VAL 111 1HG2 VAL 111 -8.366 2.359 -3.515 911 2HG2 VAL 111 2HG2 VAL 111 -9.414 3.718 -3.922 912 3HG2 VAL 111 3HG2 VAL 111 -10.111 2.128 -3.612 913 H ALA 112 H ALA 112 -7.028 3.065 0.800 914 HA ALA 112 HA ALA 112 -8.664 2.368 3.059 915 1HB ALA 112 1HB ALA 112 -6.254 4.138 3.218 916 2HB ALA 112 2HB ALA 112 -6.090 2.410 2.912 917 3HB ALA 112 3HB ALA 112 -6.861 2.973 4.394 918 H TYR 113 H TYR 113 -8.215 5.171 1.087 919 HA TYR 113 HA TYR 113 -9.193 7.223 1.079 920 1HB TYR 113 2HB TYR 113 -11.046 5.971 3.118 921 2HB TYR 113 1HB TYR 113 -11.326 7.503 2.297 922 HD1 TYR 113 2HD TYR 113 -10.784 7.063 -0.451 923 HD2 TYR 113 1HD TYR 113 -12.498 4.358 2.349 924 HE1 TYR 113 2HE TYR 113 -11.905 5.877 -2.291 925 HE2 TYR 113 1HE TYR 113 -13.622 3.164 0.517 926 HH TYR 113 HH TYR 113 -13.429 2.838 -1.861 927 H VAL 114 H VAL 114 -8.020 8.833 1.860 928 HA VAL 114 HA VAL 114 -7.610 8.997 4.775 929 HB VAL 114 HB VAL 114 -5.527 8.650 3.484 930 1HG1 VAL 114 1HG1 VAL 114 -5.709 11.414 2.393 931 2HG1 VAL 114 2HG1 VAL 114 -6.524 10.108 1.535 932 3HG1 VAL 114 3HG1 VAL 114 -4.784 10.029 1.813 933 1HG2 VAL 114 1HG2 VAL 114 -4.257 10.151 4.716 934 2HG2 VAL 114 2HG2 VAL 114 -5.764 10.080 5.628 935 3HG2 VAL 114 3HG2 VAL 114 -5.446 11.444 4.556 936 H TYR 115 H TYR 115 -7.407 11.199 5.653 937 HA TYR 115 HA TYR 115 -9.591 12.785 5.214 938 1HB TYR 115 2HB TYR 115 -7.630 12.849 7.018 939 2HB TYR 115 1HB TYR 115 -7.075 14.172 5.998 940 HD1 TYR 115 2HD TYR 115 -10.214 12.978 7.642 941 HD2 TYR 115 1HD TYR 115 -7.813 16.300 6.500 942 HE1 TYR 115 2HE TYR 115 -11.788 14.494 8.767 943 HE2 TYR 115 1HE TYR 115 -9.381 17.825 7.623 944 HH TYR 115 HH TYR 115 -11.673 17.895 8.362 945 H LYS 116 H LYS 116 -6.302 13.543 4.033 946 HA LYS 116 HA LYS 116 -6.965 14.196 1.436 947 1HB LYS 116 2HB LYS 116 -6.828 16.772 1.689 948 2HB LYS 116 1HB LYS 116 -8.362 15.970 1.999 949 1HG LYS 116 2HG LYS 116 -8.422 16.758 4.067 950 2HG LYS 116 1HG LYS 116 -6.822 16.098 4.414 951 1HD LYS 116 2HD LYS 116 -6.225 18.256 4.633 952 2HD LYS 116 1HD LYS 116 -6.194 18.249 2.869 953 1HE LYS 116 2HE LYS 116 -7.459 20.153 3.666 954 2HE LYS 116 1HE LYS 116 -8.530 19.018 2.844 955 1HZ LYS 116 1HZ LYS 116 -8.223 18.756 5.742 956 2HZ LYS 116 2HZ LYS 116 -9.576 18.467 4.770 957 3HZ LYS 116 3HZ LYS 116 -9.144 20.054 5.163 958 H GLY 117 H GLY 117 -5.041 15.175 4.228 959 1HA GLY 117 2HA GLY 117 -2.854 16.316 2.978 960 2HA GLY 117 1HA GLY 117 -2.773 15.419 4.484 961 H ASN 118 H ASN 118 -3.746 12.950 3.112 962 HA ASN 118 HA ASN 118 -1.177 12.224 1.881 963 1HB ASN 118 2HB ASN 118 -3.236 10.338 3.036 964 2HB ASN 118 1HB ASN 118 -1.579 9.962 2.577 965 1HD2 ASN 118 1HD2 ASN 118 -3.451 12.027 4.761 966 2HD2 ASN 118 2HD2 ASN 118 -2.320 11.968 6.065 967 H ASN 119 H ASN 119 -3.026 13.553 0.291 968 HA ASN 119 HA ASN 119 -4.066 11.408 -1.440 969 1HB ASN 119 2HB ASN 119 -5.515 13.422 -0.376 970 2HB ASN 119 1HB ASN 119 -4.989 14.193 -1.869 971 1HD2 ASN 119 1HD2 ASN 119 -6.872 11.640 -0.466 972 2HD2 ASN 119 2HD2 ASN 119 -7.742 11.217 -1.897 973 H THR 120 H THR 120 -1.529 11.602 -1.857 974 HA THR 120 HA THR 120 -0.929 13.648 -3.840 975 HB THR 120 HB THR 120 0.948 11.433 -3.091 976 HG1 THR 120 1HG THR 120 0.543 13.778 -1.553 977 1HG2 THR 120 1HG2 THR 120 1.894 12.843 -4.696 978 2HG2 THR 120 2HG2 THR 120 2.570 13.380 -3.157 979 3HG2 THR 120 3HG2 THR 120 1.266 14.295 -3.916 980 H HIS 121 H HIS 121 -0.594 10.095 -3.686 981 HA HIS 121 HA HIS 121 -0.902 10.016 -6.604 982 1HB HIS 121 2HB HIS 121 0.221 7.999 -4.656 983 2HB HIS 121 1HB HIS 121 -0.020 7.671 -6.369 984 HD1 HIS 121 1HD HIS 121 1.967 9.968 -4.105 985 HD2 HIS 121 2HD HIS 121 2.021 8.492 -7.989 986 HE1 HIS 121 1HE HIS 121 4.154 10.728 -5.083 987 HE2 HIS 121 2HE HIS 121 4.203 9.751 -7.404 988 H GLU 122 H GLU 122 -3.095 10.283 -4.579 989 HA GLU 122 HA GLU 122 -4.537 7.965 -4.181 990 1HB GLU 122 2HB GLU 122 -5.055 10.316 -3.355 991 2HB GLU 122 1HB GLU 122 -5.811 10.597 -4.917 992 1HG GLU 122 2HG GLU 122 -6.776 8.155 -3.734 993 2HG GLU 122 1HG GLU 122 -6.985 9.520 -2.636 994 H GLN 123 H GLN 123 -4.018 9.719 -7.127 995 HA GLN 123 HA GLN 123 -6.211 8.741 -8.610 996 1HB GLN 123 2HB GLN 123 -4.740 10.678 -9.245 997 2HB GLN 123 1HB GLN 123 -3.498 9.515 -9.690 998 1HG GLN 123 2HG GLN 123 -5.240 8.506 -11.251 999 2HG GLN 123 1HG GLN 123 -6.166 9.981 -10.974 1000 1HE2 GLN 123 1HE2 GLN 123 -5.005 8.990 -13.438 1001 2HE2 GLN 123 2HE2 GLN 123 -3.917 10.213 -13.992 1002 H LEU 124 H LEU 124 -2.841 7.624 -8.373 1003 HA LEU 124 HA LEU 124 -3.068 5.449 -10.121 1004 1HB LEU 124 2HB LEU 124 -1.293 5.543 -7.688 1005 2HB LEU 124 1HB LEU 124 -1.030 4.639 -9.166 1006 HG LEU 124 HG LEU 124 -0.901 7.636 -8.849 1007 1HD1 LEU 124 1HD1 LEU 124 1.200 5.553 -9.417 1008 2HD1 LEU 124 2HD1 LEU 124 1.046 6.536 -7.961 1009 3HD1 LEU 124 3HD1 LEU 124 1.460 7.295 -9.498 1010 1HD2 LEU 124 1HD2 LEU 124 -0.964 5.879 -11.257 1011 2HD2 LEU 124 2HD2 LEU 124 0.032 7.335 -11.275 1012 3HD2 LEU 124 3HD2 LEU 124 -1.705 7.457 -10.994 1013 H LEU 125 H LEU 125 -3.480 5.616 -6.598 1014 HA LEU 125 HA LEU 125 -4.034 2.874 -6.228 1015 1HB LEU 125 2HB LEU 125 -4.845 5.264 -4.570 1016 2HB LEU 125 1HB LEU 125 -4.999 3.595 -4.056 1017 HG LEU 125 HG LEU 125 -2.367 3.648 -4.660 1018 1HD1 LEU 125 1HD1 LEU 125 -1.828 5.940 -3.325 1019 2HD1 LEU 125 2HD1 LEU 125 -3.215 6.436 -4.294 1020 3HD1 LEU 125 3HD1 LEU 125 -1.782 5.775 -5.080 1021 1HD2 LEU 125 1HD2 LEU 125 -3.368 2.842 -2.583 1022 2HD2 LEU 125 2HD2 LEU 125 -3.603 4.507 -2.046 1023 3HD2 LEU 125 3HD2 LEU 125 -1.973 3.871 -2.263 1024 H ARG 126 H ARG 126 -6.141 5.683 -6.716 1025 HA ARG 126 HA ARG 126 -8.596 4.368 -6.399 1026 1HB ARG 126 2HB ARG 126 -7.686 6.897 -7.658 1027 2HB ARG 126 1HB ARG 126 -9.265 6.295 -8.144 1028 1HG ARG 126 2HG ARG 126 -8.594 6.503 -5.245 1029 2HG ARG 126 1HG ARG 126 -9.054 7.947 -6.150 1030 1HD ARG 126 2HD ARG 126 -10.975 6.201 -6.937 1031 2HD ARG 126 1HD ARG 126 -10.676 5.652 -5.288 1032 HE ARG 126 HE ARG 126 -12.024 8.029 -6.074 1033 1HH1 ARG 126 1HH1 ARG 126 -9.939 6.704 -3.610 1034 2HH1 ARG 126 2HH1 ARG 126 -10.481 7.801 -2.385 1035 1HH2 ARG 126 1HH2 ARG 126 -12.739 9.473 -4.465 1036 2HH2 ARG 126 2HH2 ARG 126 -12.071 9.373 -2.870 1037 H LYS 127 H LYS 127 -6.515 4.779 -9.217 1038 HA LYS 127 HA LYS 127 -8.329 3.686 -11.104 1039 1HB LYS 127 2HB LYS 127 -5.589 4.641 -11.076 1040 2HB LYS 127 1HB LYS 127 -5.751 3.198 -12.068 1041 1HG LYS 127 2HG LYS 127 -6.161 4.847 -13.602 1042 2HG LYS 127 1HG LYS 127 -7.800 4.464 -13.072 1043 1HD LYS 127 2HD LYS 127 -6.402 6.531 -11.503 1044 2HD LYS 127 1HD LYS 127 -6.787 6.968 -13.169 1045 1HE LYS 127 2HE LYS 127 -8.908 5.682 -11.533 1046 2HE LYS 127 1HE LYS 127 -8.497 7.360 -11.181 1047 1HZ LYS 127 1HZ LYS 127 -10.292 6.696 -12.983 1048 2HZ LYS 127 2HZ LYS 127 -8.927 6.654 -13.980 1049 3HZ LYS 127 3HZ LYS 127 -9.323 8.073 -13.148 1050 H SER 128 H SER 128 -5.646 2.298 -9.244 1051 HA SER 128 HA SER 128 -5.706 -0.273 -10.345 1052 1HB SER 128 2HB SER 128 -3.892 0.604 -8.881 1053 2HB SER 128 1HB SER 128 -4.983 0.472 -7.501 1054 HG SER 128 HG SER 128 -5.154 -1.825 -8.167 1055 H GLU 129 H GLU 129 -7.696 1.242 -7.910 1056 HA GLU 129 HA GLU 129 -8.889 -1.186 -6.971 1057 1HB GLU 129 2HB GLU 129 -8.749 0.890 -5.607 1058 2HB GLU 129 1HB GLU 129 -9.894 1.652 -6.702 1059 1HG GLU 129 2HG GLU 129 -11.179 -0.668 -5.978 1060 2HG GLU 129 1HG GLU 129 -10.352 -0.185 -4.498 1061 H ALA 130 H ALA 130 -9.918 1.428 -9.144 1062 HA ALA 130 HA ALA 130 -12.467 0.451 -9.738 1063 1HB ALA 130 1HB ALA 130 -10.580 2.141 -11.366 1064 2HB ALA 130 2HB ALA 130 -11.908 2.686 -10.342 1065 3HB ALA 130 3HB ALA 130 -12.247 1.811 -11.835 1066 H GLN 131 H GLN 131 -9.394 -0.047 -11.465 1067 HA GLN 131 HA GLN 131 -10.418 -1.687 -13.495 1068 1HB GLN 131 2HB GLN 131 -8.038 -2.501 -13.697 1069 2HB GLN 131 1HB GLN 131 -8.251 -0.759 -13.795 1070 1HG GLN 131 2HG GLN 131 -6.641 -0.612 -12.278 1071 2HG GLN 131 1HG GLN 131 -7.828 -1.190 -11.111 1072 1HE2 GLN 131 1HE2 GLN 131 -4.883 -1.790 -12.622 1073 2HE2 GLN 131 2HE2 GLN 131 -4.628 -3.401 -12.052 1074 H ALA 132 H ALA 132 -9.115 -2.472 -10.299 1075 HA ALA 132 HA ALA 132 -9.244 -5.290 -10.623 1076 1HB ALA 132 1HB ALA 132 -9.172 -3.598 -8.127 1077 2HB ALA 132 2HB ALA 132 -7.797 -4.332 -8.951 1078 3HB ALA 132 3HB ALA 132 -8.997 -5.353 -8.158 1079 H LYS 133 H LYS 133 -11.496 -2.860 -9.467 1080 HA LYS 133 HA LYS 133 -13.401 -4.610 -8.344 1081 1HB LYS 133 2HB LYS 133 -13.093 -1.882 -8.497 1082 2HB LYS 133 1HB LYS 133 -14.494 -2.162 -9.522 1083 1HG LYS 133 2HG LYS 133 -14.338 -3.364 -6.788 1084 2HG LYS 133 1HG LYS 133 -14.850 -1.691 -7.018 1085 1HD LYS 133 2HD LYS 133 -16.894 -2.638 -7.198 1086 2HD LYS 133 1HD LYS 133 -16.383 -2.903 -8.867 1087 1HE LYS 133 2HE LYS 133 -17.260 -4.964 -8.070 1088 2HE LYS 133 1HE LYS 133 -15.507 -5.139 -8.142 1089 1HZ LYS 133 1HZ LYS 133 -15.467 -4.613 -5.732 1090 2HZ LYS 133 2HZ LYS 133 -16.270 -6.056 -6.098 1091 3HZ LYS 133 3HZ LYS 133 -17.158 -4.667 -5.723 1092 H LYS 134 H LYS 134 -13.283 -3.033 -11.533 1093 HA LYS 134 HA LYS 134 -15.630 -4.187 -12.547 1094 1HB LYS 134 2HB LYS 134 -14.697 -3.613 -14.777 1095 2HB LYS 134 1HB LYS 134 -14.629 -2.279 -13.632 1096 1HG LYS 134 2HG LYS 134 -12.250 -2.843 -13.199 1097 2HG LYS 134 1HG LYS 134 -12.353 -4.058 -14.475 1098 1HD LYS 134 2HD LYS 134 -11.416 -2.116 -15.461 1099 2HD LYS 134 1HD LYS 134 -13.088 -2.205 -16.018 1100 1HE LYS 134 2HE LYS 134 -13.388 -0.723 -13.780 1101 2HE LYS 134 1HE LYS 134 -11.768 -0.232 -14.272 1102 1HZ LYS 134 1HZ LYS 134 -12.978 1.234 -15.477 1103 2HZ LYS 134 2HZ LYS 134 -14.330 0.224 -15.592 1104 3HZ LYS 134 3HZ LYS 134 -12.990 -0.040 -16.591 1105 H GLU 135 H GLU 135 -12.277 -5.289 -12.595 1106 HA GLU 135 HA GLU 135 -12.830 -7.574 -14.235 1107 1HB GLU 135 2HB GLU 135 -10.431 -6.864 -12.543 1108 2HB GLU 135 1HB GLU 135 -10.507 -8.245 -13.628 1109 1HG GLU 135 2HG GLU 135 -10.742 -5.354 -14.430 1110 2HG GLU 135 1HG GLU 135 -9.324 -6.380 -14.641 1111 H LYS 136 H LYS 136 -12.924 -6.898 -10.832 1112 HA LYS 136 HA LYS 136 -13.476 -8.163 -9.022 1113 1HB LYS 136 2HB LYS 136 -14.583 -10.048 -11.114 1114 2HB LYS 136 1HB LYS 136 -14.948 -10.100 -9.395 1115 1HG LYS 136 2HG LYS 136 -15.457 -7.506 -10.643 1116 2HG LYS 136 1HG LYS 136 -16.437 -8.827 -11.282 1117 1HD LYS 136 2HD LYS 136 -16.552 -9.253 -8.574 1118 2HD LYS 136 1HD LYS 136 -16.544 -7.492 -8.684 1119 1HE LYS 136 2HE LYS 136 -18.580 -7.409 -9.670 1120 2HE LYS 136 1HE LYS 136 -18.325 -8.906 -10.565 1121 1HZ LYS 136 1HZ LYS 136 -19.819 -9.675 -9.087 1122 2HZ LYS 136 2HZ LYS 136 -19.470 -8.496 -7.926 1123 3HZ LYS 136 3HZ LYS 136 -18.465 -9.847 -8.088 1124 H LEU 137 H LEU 137 -10.987 -8.378 -9.135 1125 HA LEU 137 HA LEU 137 -9.865 -10.875 -9.883 1126 1HB LEU 137 2HB LEU 137 -8.883 -8.649 -8.110 1127 2HB LEU 137 1HB LEU 137 -7.933 -10.088 -8.431 1128 HG LEU 137 HG LEU 137 -8.904 -8.785 -10.864 1129 1HD1 LEU 137 1HD1 LEU 137 -6.968 -7.311 -9.085 1130 2HD1 LEU 137 2HD1 LEU 137 -8.600 -6.788 -9.499 1131 3HD1 LEU 137 3HD1 LEU 137 -7.365 -6.897 -10.754 1132 1HD2 LEU 137 1HD2 LEU 137 -7.085 -10.624 -10.406 1133 2HD2 LEU 137 2HD2 LEU 137 -6.042 -9.223 -10.165 1134 3HD2 LEU 137 3HD2 LEU 137 -6.876 -9.447 -11.702 1135 H ASN 138 H ASN 138 -9.738 -9.597 -6.577 1136 HA ASN 138 HA ASN 138 -10.775 -12.167 -5.596 1137 1HB ASN 138 2HB ASN 138 -8.164 -10.868 -4.989 1138 2HB ASN 138 1HB ASN 138 -8.997 -11.682 -3.668 1139 1HD2 ASN 138 1HD2 ASN 138 -6.704 -12.738 -4.172 1140 2HD2 ASN 138 2HD2 ASN 138 -6.811 -14.195 -5.096 1141 H ILE 139 H ILE 139 -9.528 -9.178 -4.108 1142 HA ILE 139 HA ILE 139 -11.348 -9.095 -2.010 1143 HB ILE 139 HB ILE 139 -10.812 -6.671 -1.845 1144 1HG1 ILE 139 2HG1 ILE 139 -9.255 -7.230 -4.379 1145 2HG1 ILE 139 1HG1 ILE 139 -10.626 -6.138 -4.212 1146 1HG2 ILE 139 1HG2 ILE 139 -8.127 -7.445 -2.097 1147 2HG2 ILE 139 2HG2 ILE 139 -9.021 -8.905 -1.676 1148 3HG2 ILE 139 3HG2 ILE 139 -9.127 -7.478 -0.646 1149 1HD1 ILE 139 1HD1 ILE 139 -9.174 -4.509 -3.856 1150 2HD1 ILE 139 2HD1 ILE 139 -7.833 -5.651 -3.768 1151 3HD1 ILE 139 3HD1 ILE 139 -8.769 -5.277 -2.321 1152 H TRP 140 H TRP 140 -11.606 -7.795 -5.274 1153 HA TRP 140 HA TRP 140 -14.257 -6.716 -4.663 1154 1HB TRP 140 2HB TRP 140 -12.631 -6.465 -7.201 1155 2HB TRP 140 1HB TRP 140 -14.126 -5.615 -6.833 1156 HD1 TRP 140 HD TRP 140 -10.789 -4.697 -7.181 1157 HE1 TRP 140 1HE TRP 140 -10.047 -2.828 -5.576 1158 HE3 TRP 140 3HE TRP 140 -14.582 -5.005 -3.765 1159 HZ2 TRP 140 2HZ TRP 140 -10.950 -1.639 -3.182 1160 HZ3 TRP 140 3HZ TRP 140 -14.569 -3.463 -1.849 1161 HH2 TRP 140 HH TRP 140 -12.789 -1.815 -1.564 1162 H SER 141 H SER 141 -13.903 -9.553 -4.710 1163 HA SER 141 HA SER 141 -15.485 -10.251 -7.098 1164 1HB SER 141 2HB SER 141 -13.900 -12.267 -5.526 1165 2HB SER 141 1HB SER 141 -14.469 -12.363 -7.193 1166 HG SER 141 HG SER 141 -12.711 -11.404 -7.819 1167 H GLU 142 H GLU 142 -16.511 -9.218 -4.594 1168 HA GLU 142 HA GLU 142 -18.480 -11.262 -4.092 1169 1HB GLU 142 2HB GLU 142 -18.122 -11.103 -1.580 1170 2HB GLU 142 1HB GLU 142 -16.950 -12.054 -2.481 1171 1HG GLU 142 2HG GLU 142 -15.860 -9.518 -2.468 1172 2HG GLU 142 1HG GLU 142 -16.573 -9.681 -0.864 1173 H ASP 143 H ASP 143 -18.383 -8.552 -5.149 1174 HA ASP 143 HA ASP 143 -20.098 -7.193 -3.174 1175 1HB ASP 143 2HB ASP 143 -17.776 -6.201 -4.140 1176 2HB ASP 143 1HB ASP 143 -18.896 -5.588 -5.353 1177 H ASN 144 H ASN 144 -22.167 -7.254 -3.717 1178 HA ASN 144 HA ASN 144 -22.920 -6.807 -6.512 1179 1HB ASN 144 2HB ASN 144 -23.701 -9.159 -4.813 1180 2HB ASN 144 1HB ASN 144 -24.763 -8.589 -6.097 1181 1HD2 ASN 144 1HD2 ASN 144 -24.586 -10.188 -7.542 1182 2HD2 ASN 144 2HD2 ASN 144 -23.108 -10.684 -8.286 1183 H ALA 145 H ALA 145 -23.689 -4.772 -6.059 1184 HA ALA 145 HA ALA 145 -25.995 -4.646 -4.225 1185 1HB ALA 145 1HB ALA 145 -23.751 -2.734 -4.672 1186 2HB ALA 145 2HB ALA 145 -24.493 -3.268 -3.164 1187 3HB ALA 145 3HB ALA 145 -25.333 -2.114 -4.201 1188 H ASP 146 H ASP 146 -27.384 -5.210 -5.983 1189 HA ASP 146 HA ASP 146 -27.684 -3.107 -8.021 1190 1HB ASP 146 2HB ASP 146 -28.968 -4.827 -9.303 1191 2HB ASP 146 1HB ASP 146 -27.283 -5.260 -9.029 1192 H SER 147 H SER 147 -30.056 -2.957 -8.811 1193 HA SER 147 HA SER 147 -31.616 -2.057 -6.617 1194 1HB SER 147 2HB SER 147 -32.745 -2.539 -9.362 1195 2HB SER 147 1HB SER 147 -33.142 -1.264 -8.209 1196 HG SER 147 HG SER 147 -31.856 -0.434 -9.866 1197 H GLY 148 H GLY 148 -32.950 -3.165 -5.351 1198 1HA GLY 148 2HA GLY 148 -33.981 -5.749 -6.352 1199 2HA GLY 148 1HA GLY 148 -33.498 -5.489 -4.682 1200 H GLN 149 H GLN 149 -35.622 -6.234 -4.096 1201 HA GLN 149 HA GLN 149 -37.619 -4.082 -4.287 1202 1HB GLN 149 2HB GLN 149 -37.915 -6.971 -4.938 1203 2HB GLN 149 1HB GLN 149 -39.258 -6.184 -4.122 1204 1HG GLN 149 2HG GLN 149 -39.923 -5.679 -6.192 1205 2HG GLN 149 1HG GLN 149 -38.727 -4.389 -6.076 1206 1HE2 GLN 149 1HE2 GLN 149 -37.942 -4.240 -8.073 1207 2HE2 GLN 149 2HE2 GLN 149 -37.249 -5.541 -8.973 Start of MODEL 7 1 1H ALA 1 1HT ALA 1 -2.297 18.176 -14.391 2 2H ALA 1 2HT ALA 1 -1.495 18.800 -13.008 3 3H ALA 1 3HT ALA 1 -1.252 17.168 -13.479 4 HA ALA 1 HA ALA 1 -0.603 19.400 -15.254 5 1HB ALA 1 1HB ALA 1 1.669 19.374 -14.417 6 2HB ALA 1 2HB ALA 1 1.240 18.150 -13.220 7 3HB ALA 1 3HB ALA 1 0.550 19.770 -13.112 8 H THR 2 H THR 2 0.962 18.742 -16.850 9 HA THR 2 HA THR 2 0.443 16.125 -17.857 10 HB THR 2 HB THR 2 2.533 18.095 -18.795 11 HG1 THR 2 1HG THR 2 0.954 19.256 -19.491 12 1HG2 THR 2 1HG2 THR 2 1.046 16.330 -20.645 13 2HG2 THR 2 2HG2 THR 2 2.334 15.611 -19.678 14 3HG2 THR 2 3HG2 THR 2 2.688 16.965 -20.750 15 H SER 3 H SER 3 3.377 17.714 -16.617 16 HA SER 3 HA SER 3 4.897 15.278 -16.701 17 1HB SER 3 2HB SER 3 5.782 17.625 -15.075 18 2HB SER 3 1HB SER 3 6.725 16.565 -16.123 19 HG SER 3 HG SER 3 6.393 18.692 -16.988 20 H THR 4 H THR 4 5.594 14.027 -14.973 21 HA THR 4 HA THR 4 4.024 14.353 -12.504 22 HB THR 4 HB THR 4 4.529 11.872 -12.207 23 HG1 THR 4 1HG THR 4 5.217 10.758 -13.973 24 1HG2 THR 4 1HG2 THR 4 2.344 12.144 -12.798 25 2HG2 THR 4 2HG2 THR 4 2.941 11.227 -14.182 26 3HG2 THR 4 3HG2 THR 4 2.738 12.975 -14.304 27 H LYS 5 H LYS 5 5.071 14.770 -10.674 28 HA LYS 5 HA LYS 5 7.841 13.914 -10.347 29 1HB LYS 5 2HB LYS 5 7.610 16.346 -11.280 30 2HB LYS 5 1HB LYS 5 7.151 16.743 -9.630 31 1HG LYS 5 2HG LYS 5 9.241 16.285 -8.792 32 2HG LYS 5 1HG LYS 5 9.652 15.196 -10.119 33 1HD LYS 5 2HD LYS 5 9.962 17.024 -11.621 34 2HD LYS 5 1HD LYS 5 9.289 18.169 -10.457 35 1HE LYS 5 2HE LYS 5 11.298 17.126 -8.996 36 2HE LYS 5 1HE LYS 5 11.983 16.976 -10.613 37 1HZ LYS 5 1HZ LYS 5 12.651 19.069 -10.028 38 2HZ LYS 5 2HZ LYS 5 11.262 19.399 -9.120 39 3HZ LYS 5 3HZ LYS 5 11.194 19.433 -10.810 40 H LYS 6 H LYS 6 7.888 12.840 -8.496 41 HA LYS 6 HA LYS 6 6.547 13.975 -6.154 42 1HB LYS 6 2HB LYS 6 6.356 11.035 -6.802 43 2HB LYS 6 1HB LYS 6 5.512 11.919 -5.537 44 1HG LYS 6 2HG LYS 6 3.811 11.858 -6.997 45 2HG LYS 6 1HG LYS 6 4.634 13.250 -7.706 46 1HD LYS 6 2HD LYS 6 4.278 11.889 -9.548 47 2HD LYS 6 1HD LYS 6 5.926 11.468 -9.078 48 1HE LYS 6 2HE LYS 6 5.351 9.379 -8.441 49 2HE LYS 6 1HE LYS 6 3.792 9.893 -7.797 50 1HZ LYS 6 1HZ LYS 6 4.493 9.010 -10.487 51 2HZ LYS 6 2HZ LYS 6 3.338 10.240 -10.368 52 3HZ LYS 6 3HZ LYS 6 3.074 8.757 -9.599 53 H LEU 7 H LEU 7 7.204 12.675 -4.131 54 HA LEU 7 HA LEU 7 9.994 12.814 -3.864 55 1HB LEU 7 2HB LEU 7 7.915 12.726 -2.133 56 2HB LEU 7 1HB LEU 7 8.538 11.096 -1.954 57 HG LEU 7 HG LEU 7 10.800 12.124 -1.492 58 1HD1 LEU 7 1HD1 LEU 7 9.125 14.624 -1.356 59 2HD1 LEU 7 2HD1 LEU 7 10.481 14.306 -2.437 60 3HD1 LEU 7 3HD1 LEU 7 10.757 14.476 -0.704 61 1HD2 LEU 7 1HD2 LEU 7 10.287 12.592 0.820 62 2HD2 LEU 7 2HD2 LEU 7 9.304 11.240 0.260 63 3HD2 LEU 7 3HD2 LEU 7 8.587 12.843 0.424 64 H HIS 8 H HIS 8 11.351 10.964 -3.015 65 HA HIS 8 HA HIS 8 10.937 8.637 -4.760 66 1HB HIS 8 2HB HIS 8 13.349 8.241 -4.520 67 2HB HIS 8 1HB HIS 8 13.025 9.862 -5.127 68 HD1 HIS 8 1HD HIS 8 14.686 11.403 -4.153 69 HD2 HIS 8 2HD HIS 8 13.417 8.568 -1.393 70 HE1 HIS 8 1HE HIS 8 15.864 11.980 -2.008 71 HE2 HIS 8 2HE HIS 8 15.013 10.303 -0.330 72 H LYS 9 H LYS 9 11.696 6.529 -3.914 73 HA LYS 9 HA LYS 9 10.619 6.109 -1.257 74 1HB LYS 9 2HB LYS 9 11.841 3.870 -2.789 75 2HB LYS 9 1HB LYS 9 10.370 3.900 -1.828 76 1HG LYS 9 2HG LYS 9 9.316 3.849 -3.792 77 2HG LYS 9 1HG LYS 9 9.721 5.563 -3.891 78 1HD LYS 9 2HD LYS 9 11.845 4.907 -5.040 79 2HD LYS 9 1HD LYS 9 11.245 3.249 -5.079 80 1HE LYS 9 2HE LYS 9 10.506 3.921 -7.118 81 2HE LYS 9 1HE LYS 9 9.134 4.462 -6.152 82 1HZ LYS 9 1HZ LYS 9 10.403 6.040 -7.843 83 2HZ LYS 9 2HZ LYS 9 11.338 6.342 -6.466 84 3HZ LYS 9 3HZ LYS 9 9.671 6.624 -6.433 85 H GLU 10 H GLU 10 11.732 5.188 0.485 86 HA GLU 10 HA GLU 10 14.414 4.356 0.416 87 1HB GLU 10 2HB GLU 10 14.639 6.863 -0.034 88 2HB GLU 10 1HB GLU 10 14.123 7.099 1.630 89 1HG GLU 10 2HG GLU 10 16.033 5.746 2.389 90 2HG GLU 10 1HG GLU 10 16.562 5.593 0.714 91 H ALA 11 H ALA 11 14.730 3.133 2.164 92 HA ALA 11 HA ALA 11 13.575 3.880 4.718 93 1HB ALA 11 1HB ALA 11 11.722 2.671 3.870 94 2HB ALA 11 2HB ALA 11 12.545 1.599 5.000 95 3HB ALA 11 3HB ALA 11 12.753 1.378 3.264 96 H ALA 12 H ALA 12 14.448 0.570 3.916 97 HA ALA 12 HA ALA 12 17.151 0.513 4.291 98 1HB ALA 12 1HB ALA 12 17.608 1.072 6.388 99 2HB ALA 12 2HB ALA 12 16.614 -0.269 6.957 100 3HB ALA 12 3HB ALA 12 15.894 1.323 6.717 101 H THR 13 H THR 13 14.937 -1.235 6.458 102 HA THR 13 HA THR 13 14.937 -3.545 4.693 103 HB THR 13 HB THR 13 16.246 -3.599 7.417 104 HG1 THR 13 1HG THR 13 17.828 -3.134 6.075 105 1HG2 THR 13 1HG2 THR 13 15.518 -5.884 5.608 106 2HG2 THR 13 2HG2 THR 13 15.020 -5.626 7.280 107 3HG2 THR 13 3HG2 THR 13 16.704 -5.995 6.908 108 H LEU 14 H LEU 14 13.322 -5.040 5.155 109 HA LEU 14 HA LEU 14 11.270 -4.064 7.000 110 1HB LEU 14 2HB LEU 14 10.475 -4.390 4.771 111 2HB LEU 14 1HB LEU 14 11.192 -5.986 4.681 112 HG LEU 14 HG LEU 14 8.622 -5.727 5.012 113 1HD1 LEU 14 1HD1 LEU 14 9.977 -7.634 6.881 114 2HD1 LEU 14 2HD1 LEU 14 10.106 -7.808 5.130 115 3HD1 LEU 14 3HD1 LEU 14 8.525 -7.871 5.909 116 1HD2 LEU 14 1HD2 LEU 14 7.786 -5.292 7.083 117 2HD2 LEU 14 2HD2 LEU 14 9.210 -4.253 7.121 118 3HD2 LEU 14 3HD2 LEU 14 9.248 -5.830 7.907 119 H ILE 15 H ILE 15 11.086 -4.979 8.936 120 HA ILE 15 HA ILE 15 12.515 -7.344 9.639 121 HB ILE 15 HB ILE 15 10.397 -5.823 11.171 122 1HG1 ILE 15 2HG1 ILE 15 12.737 -5.395 12.473 123 2HG1 ILE 15 1HG1 ILE 15 13.321 -5.537 10.818 124 1HG2 ILE 15 1HG2 ILE 15 10.334 -7.742 12.366 125 2HG2 ILE 15 2HG2 ILE 15 11.807 -7.081 13.077 126 3HG2 ILE 15 3HG2 ILE 15 11.910 -8.281 11.789 127 1HD1 ILE 15 1HD1 ILE 15 12.763 -3.215 11.652 128 2HD1 ILE 15 2HD1 ILE 15 11.071 -3.703 11.562 129 3HD1 ILE 15 3HD1 ILE 15 12.065 -3.695 10.106 130 H LYS 16 H LYS 16 9.007 -6.644 9.613 131 HA LYS 16 HA LYS 16 8.307 -9.032 8.296 132 1HB LYS 16 2HB LYS 16 9.073 -9.631 10.813 133 2HB LYS 16 1HB LYS 16 7.372 -9.285 11.094 134 1HG LYS 16 2HG LYS 16 6.991 -10.894 9.085 135 2HG LYS 16 1HG LYS 16 8.619 -11.454 9.474 136 1HD LYS 16 2HD LYS 16 7.492 -12.852 10.851 137 2HD LYS 16 1HD LYS 16 7.543 -11.459 11.934 138 1HE LYS 16 2HE LYS 16 5.297 -11.446 10.052 139 2HE LYS 16 1HE LYS 16 5.279 -12.793 11.190 140 1HZ LYS 16 1HZ LYS 16 5.677 -10.003 12.087 141 2HZ LYS 16 2HZ LYS 16 5.211 -11.345 13.005 142 3HZ LYS 16 3HZ LYS 16 4.130 -10.665 11.896 143 H ALA 17 H ALA 17 6.173 -9.042 7.704 144 HA ALA 17 HA ALA 17 4.715 -6.611 8.128 145 1HB ALA 17 1HB ALA 17 3.070 -7.543 6.609 146 2HB ALA 17 2HB ALA 17 3.844 -9.125 6.710 147 3HB ALA 17 3HB ALA 17 4.696 -7.773 5.963 148 H ILE 18 H ILE 18 2.597 -6.433 9.015 149 HA ILE 18 HA ILE 18 2.060 -8.431 11.109 150 HB ILE 18 HB ILE 18 1.093 -5.576 11.077 151 1HG1 ILE 18 2HG1 ILE 18 3.428 -6.671 12.650 152 2HG1 ILE 18 1HG1 ILE 18 3.614 -5.809 11.127 153 1HG2 ILE 18 1HG2 ILE 18 0.854 -7.870 12.922 154 2HG2 ILE 18 2HG2 ILE 18 -0.261 -6.539 12.612 155 3HG2 ILE 18 3HG2 ILE 18 1.139 -6.292 13.655 156 1HD1 ILE 18 1HD1 ILE 18 3.801 -4.590 13.453 157 2HD1 ILE 18 2HD1 ILE 18 2.049 -4.503 13.279 158 3HD1 ILE 18 3HD1 ILE 18 3.095 -3.797 12.046 159 H ASP 19 H ASP 19 0.340 -6.126 8.988 160 HA ASP 19 HA ASP 19 -1.711 -8.159 8.543 161 1HB ASP 19 2HB ASP 19 -2.171 -6.234 10.410 162 2HB ASP 19 1HB ASP 19 -2.797 -5.447 8.965 163 H GLY 20 H GLY 20 0.060 -7.692 6.653 164 1HA GLY 20 2HA GLY 20 0.193 -7.203 4.412 165 2HA GLY 20 1HA GLY 20 -1.488 -6.706 4.489 166 H ASP 21 H ASP 21 -1.798 -4.521 5.655 167 HA ASP 21 HA ASP 21 -0.119 -2.612 4.284 168 1HB ASP 21 2HB ASP 21 -1.709 -0.940 5.308 169 2HB ASP 21 1HB ASP 21 -2.465 -2.143 4.269 170 H THR 22 H THR 22 -0.612 -3.795 7.526 171 HA THR 22 HA THR 22 1.183 -1.769 8.623 172 HB THR 22 HB THR 22 0.102 -3.913 10.363 173 HG1 THR 22 1HG THR 22 -1.520 -2.025 9.034 174 1HG2 THR 22 1HG2 THR 22 1.132 -2.275 11.606 175 2HG2 THR 22 2HG2 THR 22 -0.560 -1.782 11.670 176 3HG2 THR 22 3HG2 THR 22 0.552 -0.973 10.567 177 H VAL 23 H VAL 23 3.264 -2.242 8.262 178 HA VAL 23 HA VAL 23 4.201 -4.922 9.037 179 HB VAL 23 HB VAL 23 5.822 -4.912 7.202 180 1HG1 VAL 23 1HG1 VAL 23 3.305 -4.415 5.739 181 2HG1 VAL 23 2HG1 VAL 23 3.235 -5.603 7.040 182 3HG1 VAL 23 3HG1 VAL 23 4.378 -5.815 5.714 183 1HG2 VAL 23 1HG2 VAL 23 4.396 -2.472 6.155 184 2HG2 VAL 23 2HG2 VAL 23 5.812 -3.268 5.469 185 3HG2 VAL 23 3HG2 VAL 23 5.938 -2.419 7.009 186 H LYS 24 H LYS 24 6.202 -5.026 10.029 187 HA LYS 24 HA LYS 24 7.150 -2.520 11.145 188 1HB LYS 24 2HB LYS 24 7.104 -5.243 11.985 189 2HB LYS 24 1HB LYS 24 8.784 -4.728 11.933 190 1HG LYS 24 2HG LYS 24 7.680 -2.617 13.189 191 2HG LYS 24 1HG LYS 24 6.603 -3.906 13.727 192 1HD LYS 24 2HD LYS 24 8.252 -4.986 14.888 193 2HD LYS 24 1HD LYS 24 9.532 -4.406 13.819 194 1HE LYS 24 2HE LYS 24 10.016 -3.048 15.548 195 2HE LYS 24 1HE LYS 24 8.697 -2.076 14.900 196 1HZ LYS 24 1HZ LYS 24 7.264 -2.763 16.536 197 2HZ LYS 24 2HZ LYS 24 8.721 -2.724 17.394 198 3HZ LYS 24 3HZ LYS 24 8.104 -4.200 16.844 199 H LEU 25 H LEU 25 8.441 -1.367 9.861 200 HA LEU 25 HA LEU 25 10.556 -2.771 8.368 201 1HB LEU 25 2HB LEU 25 8.636 -1.009 7.449 202 2HB LEU 25 1HB LEU 25 10.056 0.003 7.615 203 HG LEU 25 HG LEU 25 10.230 -2.603 6.148 204 1HD1 LEU 25 1HD1 LEU 25 9.852 -0.285 4.441 205 2HD1 LEU 25 2HD1 LEU 25 8.426 -0.653 5.412 206 3HD1 LEU 25 3HD1 LEU 25 9.117 -1.886 4.358 207 1HD2 LEU 25 1HD2 LEU 25 12.200 -1.801 5.335 208 2HD2 LEU 25 2HD2 LEU 25 12.163 -0.943 6.875 209 3HD2 LEU 25 3HD2 LEU 25 11.669 -0.121 5.395 210 H MET 26 H MET 26 12.621 -2.333 8.776 211 HA MET 26 HA MET 26 13.286 -0.650 11.006 212 1HB MET 26 2HB MET 26 14.383 -2.914 10.049 213 2HB MET 26 1HB MET 26 15.433 -1.737 9.273 214 1HG MET 26 2HG MET 26 15.942 -0.764 11.465 215 2HG MET 26 1HG MET 26 14.918 -1.979 12.228 216 1HE MET 26 1HE MET 26 15.659 -4.454 10.204 217 2HE MET 26 2HE MET 26 15.412 -4.644 11.940 218 3HE MET 26 3HE MET 26 16.877 -5.273 11.183 219 H TYR 27 H TYR 27 13.029 1.477 10.564 220 HA TYR 27 HA TYR 27 14.227 2.568 8.127 221 1HB TYR 27 2HB TYR 27 11.851 3.131 8.790 222 2HB TYR 27 1HB TYR 27 12.521 4.022 10.152 223 HD1 TYR 27 1HD TYR 27 13.877 3.867 6.696 224 HD2 TYR 27 2HD TYR 27 11.891 6.223 9.630 225 HE1 TYR 27 1HE TYR 27 14.130 5.850 5.266 226 HE2 TYR 27 2HE TYR 27 12.138 8.214 8.206 227 HH TYR 27 HH TYR 27 12.732 8.173 5.075 228 H LYS 28 H LYS 28 15.932 3.917 8.135 229 HA LYS 28 HA LYS 28 17.942 4.697 8.874 230 1HB LYS 28 2HB LYS 28 17.774 6.613 10.290 231 2HB LYS 28 1HB LYS 28 16.346 6.570 9.267 232 1HG LYS 28 2HG LYS 28 16.026 5.242 11.861 233 2HG LYS 28 1HG LYS 28 16.331 6.976 11.946 234 1HD LYS 28 2HD LYS 28 14.463 7.414 10.471 235 2HD LYS 28 1HD LYS 28 14.192 5.685 10.258 236 1HE LYS 28 2HE LYS 28 12.998 5.556 12.132 237 2HE LYS 28 1HE LYS 28 14.236 6.408 13.055 238 1HZ LYS 28 1HZ LYS 28 12.626 7.953 13.207 239 2HZ LYS 28 2HZ LYS 28 11.816 7.429 11.819 240 3HZ LYS 28 3HZ LYS 28 13.178 8.421 11.678 241 H GLY 29 H GLY 29 17.161 2.137 10.094 242 1HA GLY 29 2HA GLY 29 18.531 0.799 11.462 243 2HA GLY 29 1HA GLY 29 19.082 2.245 12.288 244 H GLN 30 H GLN 30 15.678 2.101 11.971 245 HA GLN 30 HA GLN 30 15.437 0.834 14.610 246 1HB GLN 30 2HB GLN 30 13.962 2.546 15.422 247 2HB GLN 30 1HB GLN 30 15.447 3.306 14.870 248 1HG GLN 30 2HG GLN 30 14.427 4.273 13.040 249 2HG GLN 30 1HG GLN 30 13.089 3.127 13.049 250 1HE2 GLN 30 1HE2 GLN 30 14.559 5.601 15.119 251 2HE2 GLN 30 2HE2 GLN 30 13.066 6.256 15.691 252 H ALA 31 H ALA 31 13.824 -0.577 14.805 253 HA ALA 31 HA ALA 31 12.220 -1.190 12.499 254 1HB ALA 31 1HB ALA 31 12.184 -2.433 15.246 255 2HB ALA 31 2HB ALA 31 13.191 -2.959 13.897 256 3HB ALA 31 3HB ALA 31 11.436 -3.090 13.789 257 H MET 32 H MET 32 10.727 0.403 12.153 258 HA MET 32 HA MET 32 8.816 0.932 14.328 259 1HB MET 32 2HB MET 32 8.282 3.024 13.220 260 2HB MET 32 1HB MET 32 10.016 2.922 13.493 261 1HG MET 32 2HG MET 32 10.320 2.234 11.153 262 2HG MET 32 1HG MET 32 8.585 2.413 10.895 263 1HE MET 32 1HE MET 32 8.097 5.941 10.010 264 2HE MET 32 2HE MET 32 7.338 4.955 11.261 265 3HE MET 32 3HE MET 32 7.758 4.236 9.707 266 H THR 33 H THR 33 6.571 1.022 13.812 267 HA THR 33 HA THR 33 5.802 -0.975 11.889 268 HB THR 33 HB THR 33 3.846 0.734 13.386 269 HG1 THR 33 1HG THR 33 4.142 -0.698 15.165 270 1HG2 THR 33 1HG2 THR 33 3.211 -1.181 11.793 271 2HG2 THR 33 2HG2 THR 33 2.451 -1.111 13.383 272 3HG2 THR 33 3HG2 THR 33 3.776 -2.237 13.087 273 H PHE 34 H PHE 34 5.644 -0.487 9.811 274 HA PHE 34 HA PHE 34 4.852 2.206 8.995 275 1HB PHE 34 2HB PHE 34 6.272 -0.066 7.681 276 2HB PHE 34 1HB PHE 34 5.396 1.069 6.660 277 HD1 PHE 34 1HD PHE 34 8.179 0.680 9.021 278 HD2 PHE 34 2HD PHE 34 6.181 3.297 6.325 279 HE1 PHE 34 1HE PHE 34 10.094 2.223 9.106 280 HE2 PHE 34 2HE PHE 34 8.091 4.845 6.405 281 HZ PHE 34 HZ PHE 34 10.051 4.309 7.796 282 H ARG 35 H ARG 35 3.035 2.652 7.820 283 HA ARG 35 HA ARG 35 1.183 0.406 7.364 284 1HB ARG 35 2HB ARG 35 0.792 2.998 8.716 285 2HB ARG 35 1HB ARG 35 -0.489 2.532 7.605 286 1HG ARG 35 2HG ARG 35 0.012 0.229 9.062 287 2HG ARG 35 1HG ARG 35 0.126 1.533 10.247 288 1HD ARG 35 2HD ARG 35 -2.069 2.094 10.048 289 2HD ARG 35 1HD ARG 35 -2.144 1.635 8.348 290 HE ARG 35 HE ARG 35 -2.772 -0.480 8.973 291 1HH1 ARG 35 1HH1 ARG 35 -1.578 1.230 11.770 292 2HH1 ARG 35 2HH1 ARG 35 -2.084 0.009 12.889 293 1HH2 ARG 35 1HH2 ARG 35 -3.440 -2.087 10.442 294 2HH2 ARG 35 2HH2 ARG 35 -3.141 -1.873 12.135 295 H LEU 36 H LEU 36 0.621 0.108 5.318 296 HA LEU 36 HA LEU 36 1.546 1.631 3.183 297 1HB LEU 36 2HB LEU 36 0.174 -0.746 3.507 298 2HB LEU 36 1HB LEU 36 -0.961 0.253 2.624 299 HG LEU 36 HG LEU 36 1.847 -0.449 1.772 300 1HD1 LEU 36 1HD1 LEU 36 0.891 -1.825 0.145 301 2HD1 LEU 36 2HD1 LEU 36 -0.713 -1.124 0.362 302 3HD1 LEU 36 3HD1 LEU 36 -0.033 -2.174 1.607 303 1HD2 LEU 36 1HD2 LEU 36 0.416 1.854 1.145 304 2HD2 LEU 36 2HD2 LEU 36 0.178 0.785 -0.236 305 3HD2 LEU 36 3HD2 LEU 36 1.809 1.201 0.283 306 H LEU 37 H LEU 37 1.102 3.712 2.857 307 HA LEU 37 HA LEU 37 -1.226 5.022 3.759 308 1HB LEU 37 2HB LEU 37 1.173 5.712 2.229 309 2HB LEU 37 1HB LEU 37 -0.239 6.652 1.781 310 HG LEU 37 HG LEU 37 1.020 6.459 4.513 311 1HD1 LEU 37 1HD1 LEU 37 1.139 8.362 2.289 312 2HD1 LEU 37 2HD1 LEU 37 2.265 8.093 3.619 313 3HD1 LEU 37 3HD1 LEU 37 0.831 9.089 3.866 314 1HD2 LEU 37 1HD2 LEU 37 -1.669 7.332 3.658 315 2HD2 LEU 37 2HD2 LEU 37 -0.818 8.394 4.780 316 3HD2 LEU 37 3HD2 LEU 37 -1.116 6.711 5.213 317 H LEU 38 H LEU 38 -3.052 5.706 2.734 318 HA LEU 38 HA LEU 38 -4.826 5.574 1.325 319 1HB LEU 38 2HB LEU 38 -2.503 5.825 -0.547 320 2HB LEU 38 1HB LEU 38 -4.127 5.631 -1.180 321 HG LEU 38 HG LEU 38 -3.131 7.886 0.559 322 1HD1 LEU 38 1HD1 LEU 38 -3.646 7.532 -2.336 323 2HD1 LEU 38 2HD1 LEU 38 -2.434 8.510 -1.508 324 3HD1 LEU 38 3HD1 LEU 38 -4.102 9.073 -1.609 325 1HD2 LEU 38 1HD2 LEU 38 -5.883 7.062 -0.253 326 2HD2 LEU 38 2HD2 LEU 38 -5.498 8.773 -0.074 327 3HD2 LEU 38 3HD2 LEU 38 -5.306 7.679 1.295 328 H VAL 39 H VAL 39 -3.490 3.033 2.211 329 HA VAL 39 HA VAL 39 -4.902 1.293 0.331 330 HB VAL 39 HB VAL 39 -2.175 0.528 1.351 331 1HG1 VAL 39 1HG1 VAL 39 -2.421 -1.049 -0.669 332 2HG1 VAL 39 2HG1 VAL 39 -4.137 -0.653 -0.574 333 3HG1 VAL 39 3HG1 VAL 39 -3.330 -1.409 0.799 334 1HG2 VAL 39 1HG2 VAL 39 -2.889 2.226 -0.926 335 2HG2 VAL 39 2HG2 VAL 39 -1.827 0.877 -1.324 336 3HG2 VAL 39 3HG2 VAL 39 -1.350 2.038 -0.085 337 H ASP 40 H ASP 40 -5.613 -0.684 1.238 338 HA ASP 40 HA ASP 40 -5.251 -0.991 4.130 339 1HB ASP 40 2HB ASP 40 -7.590 0.038 2.994 340 2HB ASP 40 1HB ASP 40 -7.969 -1.644 3.348 341 H THR 41 H THR 41 -4.294 -2.909 4.286 342 HA THR 41 HA THR 41 -5.324 -5.123 2.638 343 HB THR 41 HB THR 41 -2.641 -5.224 3.953 344 HG1 THR 41 1HG THR 41 -1.724 -4.102 2.302 345 1HG2 THR 41 1HG2 THR 41 -4.057 -6.702 1.915 346 2HG2 THR 41 2HG2 THR 41 -2.617 -7.136 2.836 347 3HG2 THR 41 3HG2 THR 41 -2.468 -6.168 1.371 348 H ALA 42 H ALA 42 -6.894 -4.837 4.628 349 HA ALA 42 HA ALA 42 -6.972 -7.141 6.073 350 1HB ALA 42 1HB ALA 42 -5.039 -6.798 7.308 351 2HB ALA 42 2HB ALA 42 -6.294 -6.210 8.399 352 3HB ALA 42 3HB ALA 42 -5.327 -5.064 7.469 353 H GLU 43 H GLU 43 -9.157 -6.852 5.731 354 HA GLU 43 HA GLU 43 -10.429 -4.685 7.272 355 1HB GLU 43 2HB GLU 43 -10.659 -4.745 4.698 356 2HB GLU 43 1HB GLU 43 -11.749 -6.098 4.970 357 1HG GLU 43 2HG GLU 43 -13.149 -4.249 4.811 358 2HG GLU 43 1HG GLU 43 -13.012 -4.542 6.544 359 H THR 44 H THR 44 -9.762 -6.902 8.671 360 HA THR 44 HA THR 44 -11.935 -8.796 8.712 361 HB THR 44 HB THR 44 -10.654 -9.381 10.971 362 HG1 THR 44 1HG THR 44 -8.776 -8.466 11.172 363 1HG2 THR 44 1HG2 THR 44 -10.742 -10.789 8.922 364 2HG2 THR 44 2HG2 THR 44 -9.223 -10.880 9.812 365 3HG2 THR 44 3HG2 THR 44 -9.323 -9.923 8.334 366 H LYS 45 H LYS 45 -13.781 -7.616 9.154 367 HA LYS 45 HA LYS 45 -13.889 -6.192 11.720 368 1HB LYS 45 2HB LYS 45 -15.958 -5.198 10.878 369 2HB LYS 45 1HB LYS 45 -14.631 -4.936 9.753 370 1HG LYS 45 2HG LYS 45 -15.771 -5.898 8.121 371 2HG LYS 45 1HG LYS 45 -15.963 -7.370 9.077 372 1HD LYS 45 2HD LYS 45 -18.156 -6.873 8.952 373 2HD LYS 45 1HD LYS 45 -17.783 -5.750 10.262 374 1HE LYS 45 2HE LYS 45 -18.763 -4.256 8.881 375 2HE LYS 45 1HE LYS 45 -17.160 -4.212 8.148 376 1HZ LYS 45 1HZ LYS 45 -19.096 -6.200 7.193 377 2HZ LYS 45 2HZ LYS 45 -17.844 -5.429 6.356 378 3HZ LYS 45 3HZ LYS 45 -19.273 -4.591 6.696 379 H HIS 46 H HIS 46 -13.974 -9.166 11.306 380 HA HIS 46 HA HIS 46 -15.981 -9.739 13.217 381 1HB HIS 46 2HB HIS 46 -16.896 -9.670 10.549 382 2HB HIS 46 1HB HIS 46 -16.782 -11.373 10.983 383 HD1 HIS 46 1HD HIS 46 -17.876 -8.478 13.185 384 HD2 HIS 46 2HD HIS 46 -19.369 -11.990 11.540 385 HE1 HIS 46 1HE HIS 46 -20.173 -8.757 14.167 386 HE2 HIS 46 2HE HIS 46 -21.091 -10.842 13.092 387 H THR 47 H THR 47 -16.425 -12.437 12.661 388 HA THR 47 HA THR 47 -13.726 -13.582 12.479 389 HB THR 47 HB THR 47 -15.686 -14.622 14.499 390 HG1 THR 47 1HG THR 47 -15.110 -13.147 15.935 391 1HG2 THR 47 1HG2 THR 47 -12.718 -14.753 14.150 392 2HG2 THR 47 2HG2 THR 47 -13.878 -16.070 14.324 393 3HG2 THR 47 3HG2 THR 47 -13.481 -15.056 15.712 394 H LYS 48 H LYS 48 -15.391 -13.620 10.354 395 HA LYS 48 HA LYS 48 -17.200 -15.744 10.169 396 1HB LYS 48 2HB LYS 48 -16.788 -13.830 8.515 397 2HB LYS 48 1HB LYS 48 -15.473 -14.812 7.883 398 1HG LYS 48 2HG LYS 48 -17.260 -16.653 7.640 399 2HG LYS 48 1HG LYS 48 -18.417 -15.331 7.805 400 1HD LYS 48 2HD LYS 48 -17.652 -14.274 5.852 401 2HD LYS 48 1HD LYS 48 -16.166 -15.225 5.819 402 1HE LYS 48 2HE LYS 48 -18.780 -16.640 5.633 403 2HE LYS 48 1HE LYS 48 -18.182 -15.779 4.216 404 1HZ LYS 48 1HZ LYS 48 -16.023 -17.073 4.693 405 2HZ LYS 48 2HZ LYS 48 -17.310 -17.880 3.949 406 3HZ LYS 48 3HZ LYS 48 -17.014 -18.101 5.600 407 H LYS 49 H LYS 49 -13.716 -15.621 9.558 408 HA LYS 49 HA LYS 49 -13.223 -18.253 10.324 409 1HB LYS 49 2HB LYS 49 -12.722 -19.265 8.086 410 2HB LYS 49 1HB LYS 49 -14.432 -19.008 8.403 411 1HG LYS 49 2HG LYS 49 -14.499 -18.047 6.400 412 2HG LYS 49 1HG LYS 49 -13.691 -16.675 7.161 413 1HD LYS 49 2HD LYS 49 -12.391 -17.168 5.268 414 2HD LYS 49 1HD LYS 49 -11.507 -17.877 6.621 415 1HE LYS 49 2HE LYS 49 -11.454 -19.707 5.315 416 2HE LYS 49 1HE LYS 49 -13.096 -19.949 5.910 417 1HZ LYS 49 1HZ LYS 49 -13.827 -18.609 3.924 418 2HZ LYS 49 2HZ LYS 49 -13.206 -20.145 3.586 419 3HZ LYS 49 3HZ LYS 49 -12.252 -18.773 3.327 420 H GLY 50 H GLY 50 -12.293 -15.562 8.260 421 1HA GLY 50 2HA GLY 50 -10.101 -14.583 9.096 422 2HA GLY 50 1HA GLY 50 -9.461 -16.191 8.797 423 H VAL 51 H VAL 51 -11.729 -15.585 6.447 424 HA VAL 51 HA VAL 51 -9.971 -14.083 4.686 425 HB VAL 51 HB VAL 51 -10.919 -16.821 3.845 426 1HG1 VAL 51 1HG1 VAL 51 -9.447 -14.601 2.563 427 2HG1 VAL 51 2HG1 VAL 51 -10.545 -15.793 1.864 428 3HG1 VAL 51 3HG1 VAL 51 -8.874 -16.234 2.220 429 1HG2 VAL 51 1HG2 VAL 51 -8.173 -16.004 4.792 430 2HG2 VAL 51 2HG2 VAL 51 -8.602 -17.570 4.104 431 3HG2 VAL 51 3HG2 VAL 51 -9.291 -17.065 5.647 432 H GLU 52 H GLU 52 -12.605 -13.676 5.865 433 HA GLU 52 HA GLU 52 -14.698 -14.172 4.078 434 1HB GLU 52 2HB GLU 52 -15.742 -12.113 5.186 435 2HB GLU 52 1HB GLU 52 -15.317 -13.462 6.231 436 1HG GLU 52 2HG GLU 52 -13.185 -11.490 5.916 437 2HG GLU 52 1HG GLU 52 -14.652 -10.855 6.660 438 H LYS 53 H LYS 53 -12.267 -11.652 4.150 439 HA LYS 53 HA LYS 53 -13.098 -10.832 1.468 440 1HB LYS 53 2HB LYS 53 -12.616 -8.413 2.210 441 2HB LYS 53 1HB LYS 53 -14.158 -9.125 2.664 442 1HG LYS 53 2HG LYS 53 -12.112 -9.592 4.663 443 2HG LYS 53 1HG LYS 53 -12.357 -7.874 4.344 444 1HD LYS 53 2HD LYS 53 -14.579 -9.821 4.951 445 2HD LYS 53 1HD LYS 53 -13.803 -8.794 6.157 446 1HE LYS 53 2HE LYS 53 -14.435 -6.970 4.255 447 2HE LYS 53 1HE LYS 53 -15.759 -8.119 4.067 448 1HZ LYS 53 1HZ LYS 53 -15.697 -7.862 6.712 449 2HZ LYS 53 2HZ LYS 53 -16.653 -6.894 5.708 450 3HZ LYS 53 3HZ LYS 53 -15.163 -6.320 6.266 451 H TYR 54 H TYR 54 -10.949 -12.471 2.279 452 HA TYR 54 HA TYR 54 -8.731 -12.776 1.897 453 1HB TYR 54 2HB TYR 54 -9.164 -10.243 0.316 454 2HB TYR 54 1HB TYR 54 -7.618 -11.081 0.356 455 HD1 TYR 54 1HD TYR 54 -11.088 -11.224 -0.817 456 HD2 TYR 54 2HD TYR 54 -7.324 -13.207 -0.769 457 HE1 TYR 54 1HE TYR 54 -11.852 -12.703 -2.625 458 HE2 TYR 54 2HE TYR 54 -8.076 -14.691 -2.579 459 HH TYR 54 HH TYR 54 -10.964 -15.328 -3.355 460 H GLY 55 H GLY 55 -9.027 -12.077 4.357 461 1HA GLY 55 2HA GLY 55 -7.557 -9.642 4.981 462 2HA GLY 55 1HA GLY 55 -8.317 -10.728 6.136 463 H ALA 56 H ALA 56 -7.175 -13.140 5.471 464 HA ALA 56 HA ALA 56 -4.599 -12.878 6.685 465 1HB ALA 56 1HB ALA 56 -6.396 -15.084 5.923 466 2HB ALA 56 2HB ALA 56 -5.443 -14.847 7.389 467 3HB ALA 56 3HB ALA 56 -4.674 -15.467 5.928 468 H GLU 57 H GLU 57 -5.734 -13.935 3.486 469 HA GLU 57 HA GLU 57 -3.227 -14.473 2.366 470 1HB GLU 57 2HB GLU 57 -5.348 -15.174 1.343 471 2HB GLU 57 1HB GLU 57 -5.735 -13.495 0.994 472 1HG GLU 57 2HG GLU 57 -4.818 -13.850 -0.995 473 2HG GLU 57 1HG GLU 57 -3.265 -13.804 -0.161 474 H ALA 58 H ALA 58 -4.918 -11.483 2.898 475 HA ALA 58 HA ALA 58 -3.566 -9.823 1.089 476 1HB ALA 58 1HB ALA 58 -4.117 -8.309 3.405 477 2HB ALA 58 2HB ALA 58 -5.401 -9.508 3.261 478 3HB ALA 58 3HB ALA 58 -5.067 -8.410 1.923 479 H SER 59 H SER 59 -2.872 -10.607 4.477 480 HA SER 59 HA SER 59 -0.536 -9.033 4.674 481 1HB SER 59 2HB SER 59 -0.170 -10.090 6.763 482 2HB SER 59 1HB SER 59 -1.923 -10.038 6.581 483 HG SER 59 HG SER 59 -1.106 -12.098 7.271 484 H ALA 60 H ALA 60 -1.100 -12.406 3.799 485 HA ALA 60 HA ALA 60 1.550 -13.280 3.715 486 1HB ALA 60 1HB ALA 60 -1.018 -14.220 2.746 487 2HB ALA 60 2HB ALA 60 0.362 -15.131 3.358 488 3HB ALA 60 3HB ALA 60 0.304 -14.651 1.661 489 H PHE 61 H PHE 61 -0.439 -11.832 1.151 490 HA PHE 61 HA PHE 61 1.416 -11.969 -0.924 491 1HB PHE 61 2HB PHE 61 -0.874 -11.388 -1.384 492 2HB PHE 61 1HB PHE 61 -0.770 -9.955 -0.369 493 HD1 PHE 61 2HD PHE 61 0.816 -8.097 -1.103 494 HD2 PHE 61 1HD PHE 61 -0.412 -11.268 -3.662 495 HE1 PHE 61 2HE PHE 61 1.438 -6.749 -3.065 496 HE2 PHE 61 1HE PHE 61 0.208 -9.926 -5.629 497 HZ PHE 61 HZ PHE 61 1.134 -7.662 -5.332 498 H THR 62 H THR 62 0.881 -9.398 1.465 499 HA THR 62 HA THR 62 2.975 -7.740 0.449 500 HB THR 62 HB THR 62 1.660 -7.644 3.168 501 HG1 THR 62 1HG THR 62 -0.040 -7.181 2.035 502 1HG2 THR 62 1HG2 THR 62 2.892 -5.860 3.567 503 2HG2 THR 62 2HG2 THR 62 2.219 -5.082 2.135 504 3HG2 THR 62 3HG2 THR 62 3.693 -6.040 2.007 505 H LYS 63 H LYS 63 2.735 -10.209 2.917 506 HA LYS 63 HA LYS 63 5.233 -9.653 4.165 507 1HB LYS 63 2HB LYS 63 3.147 -11.053 4.973 508 2HB LYS 63 1HB LYS 63 4.019 -12.381 4.225 509 1HG LYS 63 2HG LYS 63 5.688 -12.342 5.781 510 2HG LYS 63 1HG LYS 63 5.484 -10.621 6.118 511 1HD LYS 63 2HD LYS 63 4.094 -11.042 7.810 512 2HD LYS 63 1HD LYS 63 3.102 -12.106 6.809 513 1HE LYS 63 2HE LYS 63 5.698 -13.209 7.662 514 2HE LYS 63 1HE LYS 63 4.532 -12.928 8.953 515 1HZ LYS 63 1HZ LYS 63 3.499 -14.246 6.581 516 2HZ LYS 63 2HZ LYS 63 3.190 -14.557 8.214 517 3HZ LYS 63 3HZ LYS 63 4.602 -15.147 7.496 518 H LYS 64 H LYS 64 4.194 -12.053 1.757 519 HA LYS 64 HA LYS 64 6.729 -13.287 1.515 520 1HB LYS 64 2HB LYS 64 5.792 -14.277 -0.568 521 2HB LYS 64 1HB LYS 64 4.766 -14.492 0.842 522 1HG LYS 64 2HG LYS 64 3.095 -13.705 -0.377 523 2HG LYS 64 1HG LYS 64 3.874 -12.125 -0.291 524 1HD LYS 64 2HD LYS 64 4.534 -12.203 -2.440 525 2HD LYS 64 1HD LYS 64 4.978 -13.907 -2.341 526 1HE LYS 64 2HE LYS 64 3.122 -14.449 -3.431 527 2HE LYS 64 1HE LYS 64 2.157 -13.744 -2.135 528 1HZ LYS 64 1HZ LYS 64 2.705 -11.540 -3.361 529 2HZ LYS 64 2HZ LYS 64 1.470 -12.540 -3.943 530 3HZ LYS 64 3HZ LYS 64 2.989 -12.551 -4.688 531 H MET 65 H MET 65 5.144 -10.697 -0.304 532 HA MET 65 HA MET 65 7.208 -10.489 -2.259 533 1HB MET 65 2HB MET 65 4.672 -9.584 -2.141 534 2HB MET 65 1HB MET 65 5.527 -8.118 -1.683 535 1HG MET 65 2HG MET 65 5.613 -7.764 -3.887 536 2HG MET 65 1HG MET 65 6.972 -8.886 -3.830 537 1HE MET 65 1HE MET 65 7.282 -10.624 -5.051 538 2HE MET 65 2HE MET 65 6.597 -10.038 -6.567 539 3HE MET 65 3HE MET 65 6.152 -11.631 -5.956 540 H VAL 66 H VAL 66 6.569 -8.948 0.831 541 HA VAL 66 HA VAL 66 8.702 -7.032 0.496 542 HB VAL 66 HB VAL 66 6.547 -6.678 1.840 543 1HG1 VAL 66 1HG1 VAL 66 6.565 -7.317 4.162 544 2HG1 VAL 66 2HG1 VAL 66 8.146 -8.077 3.978 545 3HG1 VAL 66 3HG1 VAL 66 6.740 -8.763 3.166 546 1HG2 VAL 66 1HG2 VAL 66 9.190 -5.982 3.110 547 2HG2 VAL 66 2HG2 VAL 66 7.657 -5.147 3.363 548 3HG2 VAL 66 3HG2 VAL 66 8.429 -5.112 1.777 549 H GLU 67 H GLU 67 8.186 -10.024 2.313 550 HA GLU 67 HA GLU 67 10.695 -9.904 3.672 551 1HB GLU 67 2HB GLU 67 8.780 -12.197 3.225 552 2HB GLU 67 1HB GLU 67 10.201 -12.281 4.257 553 1HG GLU 67 2HG GLU 67 8.435 -10.029 4.848 554 2HG GLU 67 1HG GLU 67 7.692 -11.612 5.075 555 H ASN 68 H ASN 68 9.713 -10.941 0.540 556 HA ASN 68 HA ASN 68 12.121 -12.550 0.167 557 1HB ASN 68 2HB ASN 68 9.733 -12.053 -1.615 558 2HB ASN 68 1HB ASN 68 11.131 -13.007 -2.101 559 1HD2 ASN 68 1HD2 ASN 68 10.218 -14.970 -2.256 560 2HD2 ASN 68 2HD2 ASN 68 9.485 -15.815 -0.939 561 H ALA 69 H ALA 69 10.765 -9.460 -0.719 562 HA ALA 69 HA ALA 69 12.293 -8.773 -2.919 563 1HB ALA 69 1HB ALA 69 11.403 -6.984 -0.660 564 2HB ALA 69 2HB ALA 69 10.473 -7.391 -2.102 565 3HB ALA 69 3HB ALA 69 11.949 -6.438 -2.246 566 H LYS 70 H LYS 70 13.125 -8.490 0.512 567 HA LYS 70 HA LYS 70 15.184 -8.616 1.522 568 1HB LYS 70 2HB LYS 70 16.491 -8.208 -1.164 569 2HB LYS 70 1HB LYS 70 17.238 -8.793 0.315 570 1HG LYS 70 2HG LYS 70 16.714 -10.885 -0.171 571 2HG LYS 70 1HG LYS 70 15.015 -10.464 -0.385 572 1HD LYS 70 2HD LYS 70 15.262 -10.872 -2.559 573 2HD LYS 70 1HD LYS 70 16.320 -9.464 -2.648 574 1HE LYS 70 2HE LYS 70 18.021 -11.346 -1.676 575 2HE LYS 70 1HE LYS 70 16.970 -12.329 -2.696 576 1HZ LYS 70 1HZ LYS 70 19.071 -11.166 -3.677 577 2HZ LYS 70 2HZ LYS 70 18.048 -9.824 -3.778 578 3HZ LYS 70 3HZ LYS 70 17.643 -11.255 -4.582 579 H LYS 71 H LYS 71 14.459 -6.168 -0.862 580 HA LYS 71 HA LYS 71 15.685 -4.171 0.916 581 1HB LYS 71 2HB LYS 71 17.090 -4.430 -1.073 582 2HB LYS 71 1HB LYS 71 15.698 -4.146 -2.109 583 1HG LYS 71 2HG LYS 71 16.181 -2.028 -0.150 584 2HG LYS 71 1HG LYS 71 17.483 -2.252 -1.319 585 1HD LYS 71 2HD LYS 71 14.792 -2.290 -2.483 586 2HD LYS 71 1HD LYS 71 15.240 -0.754 -1.737 587 1HE LYS 71 2HE LYS 71 16.897 -2.230 -3.780 588 2HE LYS 71 1HE LYS 71 15.817 -0.885 -4.143 589 1HZ LYS 71 1HZ LYS 71 17.696 0.295 -3.856 590 2HZ LYS 71 2HZ LYS 71 18.433 -0.874 -2.881 591 3HZ LYS 71 3HZ LYS 71 17.296 0.186 -2.215 592 H ILE 72 H ILE 72 14.201 -2.833 1.696 593 HA ILE 72 HA ILE 72 11.823 -2.270 0.049 594 HB ILE 72 HB ILE 72 11.883 -2.377 3.064 595 1HG1 ILE 72 2HG1 ILE 72 10.381 -4.430 2.609 596 2HG1 ILE 72 1HG1 ILE 72 11.087 -4.415 0.997 597 1HG2 ILE 72 1HG2 ILE 72 10.121 -0.993 2.603 598 2HG2 ILE 72 2HG2 ILE 72 9.316 -2.560 2.499 599 3HG2 ILE 72 3HG2 ILE 72 9.815 -1.726 1.028 600 1HD1 ILE 72 1HD1 ILE 72 12.098 -5.872 2.933 601 2HD1 ILE 72 2HD1 ILE 72 12.918 -4.362 3.331 602 3HD1 ILE 72 3HD1 ILE 72 13.131 -5.089 1.738 603 H GLU 73 H GLU 73 11.135 -0.212 -0.126 604 HA GLU 73 HA GLU 73 12.585 1.873 1.360 605 1HB GLU 73 2HB GLU 73 11.739 2.309 -1.483 606 2HB GLU 73 1HB GLU 73 12.976 3.144 -0.555 607 1HG GLU 73 2HG GLU 73 14.289 0.993 -0.597 608 2HG GLU 73 1HG GLU 73 13.119 0.408 -1.779 609 H VAL 74 H VAL 74 11.333 3.507 2.155 610 HA VAL 74 HA VAL 74 8.464 3.379 1.498 611 HB VAL 74 HB VAL 74 7.983 4.273 3.698 612 1HG1 VAL 74 1HG1 VAL 74 9.863 2.107 4.411 613 2HG1 VAL 74 2HG1 VAL 74 8.665 1.743 3.168 614 3HG1 VAL 74 3HG1 VAL 74 8.145 2.282 4.764 615 1HG2 VAL 74 1HG2 VAL 74 10.565 5.235 3.660 616 2HG2 VAL 74 2HG2 VAL 74 10.629 3.946 4.860 617 3HG2 VAL 74 3HG2 VAL 74 9.469 5.260 5.039 618 H GLU 75 H GLU 75 7.285 5.286 1.268 619 HA GLU 75 HA GLU 75 8.882 7.737 0.936 620 1HB GLU 75 2HB GLU 75 8.375 6.822 -1.265 621 2HB GLU 75 1HB GLU 75 6.667 6.727 -0.859 622 1HG GLU 75 2HG GLU 75 8.092 9.351 -0.773 623 2HG GLU 75 1HG GLU 75 7.532 8.684 -2.306 624 H PHE 76 H PHE 76 8.232 9.208 2.354 625 HA PHE 76 HA PHE 76 5.531 9.087 3.441 626 1HB PHE 76 2HB PHE 76 8.075 10.438 4.256 627 2HB PHE 76 1HB PHE 76 6.541 11.056 4.860 628 HD1 PHE 76 1HD PHE 76 5.133 9.675 6.318 629 HD2 PHE 76 2HD PHE 76 8.972 8.368 5.027 630 HE1 PHE 76 1HE PHE 76 5.139 7.961 8.082 631 HE2 PHE 76 2HE PHE 76 8.984 6.651 6.790 632 HZ PHE 76 HZ PHE 76 7.065 6.446 8.319 633 H ASP 77 H ASP 77 3.944 10.318 2.712 634 HA ASP 77 HA ASP 77 4.562 12.521 0.901 635 1HB ASP 77 2HB ASP 77 2.696 10.576 0.716 636 2HB ASP 77 1HB ASP 77 1.742 11.835 1.494 637 H LYS 78 H LYS 78 2.658 14.303 1.120 638 HA LYS 78 HA LYS 78 3.328 15.860 3.329 639 1HB LYS 78 2HB LYS 78 0.810 16.029 1.664 640 2HB LYS 78 1HB LYS 78 1.465 17.307 2.679 641 1HG LYS 78 2HG LYS 78 2.412 18.036 0.794 642 2HG LYS 78 1HG LYS 78 3.588 16.750 1.072 643 1HD LYS 78 2HD LYS 78 3.015 16.094 -1.003 644 2HD LYS 78 1HD LYS 78 1.612 15.387 -0.197 645 1HE LYS 78 2HE LYS 78 0.562 16.590 -1.832 646 2HE LYS 78 1HE LYS 78 0.620 17.801 -0.554 647 1HZ LYS 78 1HZ LYS 78 2.489 17.564 -2.849 648 2HZ LYS 78 2HZ LYS 78 2.668 18.667 -1.579 649 3HZ LYS 78 3HZ LYS 78 1.330 18.774 -2.610 650 H GLY 79 H GLY 79 1.026 13.307 3.031 651 1HA GLY 79 2HA GLY 79 -0.824 13.960 5.007 652 2HA GLY 79 1HA GLY 79 -0.376 12.323 4.554 653 H GLN 80 H GLN 80 -1.072 13.071 7.159 654 HA GLN 80 HA GLN 80 1.078 13.679 8.842 655 1HB GLN 80 2HB GLN 80 -0.292 12.641 10.631 656 2HB GLN 80 1HB GLN 80 -1.202 13.774 9.641 657 1HG GLN 80 2HG GLN 80 -1.605 11.375 8.363 658 2HG GLN 80 1HG GLN 80 -1.598 10.928 10.069 659 1HE2 GLN 80 1HE2 GLN 80 -3.240 11.605 11.389 660 2HE2 GLN 80 2HE2 GLN 80 -4.670 12.378 10.803 661 H ARG 81 H ARG 81 2.822 12.567 9.426 662 HA ARG 81 HA ARG 81 3.596 10.149 8.344 663 1HB ARG 81 2HB ARG 81 4.859 11.986 9.807 664 2HB ARG 81 1HB ARG 81 4.573 10.806 11.079 665 1HG ARG 81 2HG ARG 81 5.682 9.094 9.662 666 2HG ARG 81 1HG ARG 81 6.075 10.370 8.508 667 1HD ARG 81 2HD ARG 81 7.302 11.559 10.285 668 2HD ARG 81 1HD ARG 81 6.950 10.233 11.391 669 HE ARG 81 HE ARG 81 8.169 8.993 9.326 670 1HH1 ARG 81 1HH1 ARG 81 9.025 11.759 11.275 671 2HH1 ARG 81 2HH1 ARG 81 10.729 11.497 11.121 672 1HH2 ARG 81 1HH2 ARG 81 10.411 8.647 9.123 673 2HH2 ARG 81 2HH2 ARG 81 11.517 9.731 9.899 674 H THR 82 H THR 82 1.614 10.767 11.133 675 HA THR 82 HA THR 82 1.182 7.878 11.423 676 HB THR 82 HB THR 82 1.360 7.919 13.771 677 HG1 THR 82 1HG THR 82 1.385 10.745 13.572 678 1HG2 THR 82 1HG2 THR 82 3.513 9.885 13.479 679 2HG2 THR 82 2HG2 THR 82 3.566 8.535 12.345 680 3HG2 THR 82 3HG2 THR 82 3.553 8.227 14.081 681 H ASP 83 H ASP 83 -0.869 7.636 10.804 682 HA ASP 83 HA ASP 83 -2.836 9.677 11.010 683 1HB ASP 83 2HB ASP 83 -2.661 7.622 9.384 684 2HB ASP 83 1HB ASP 83 -3.566 6.795 10.649 685 H LYS 84 H LYS 84 -2.257 9.889 13.433 686 HA LYS 84 HA LYS 84 -2.794 9.622 15.638 687 1HB LYS 84 2HB LYS 84 -5.309 9.496 14.086 688 2HB LYS 84 1HB LYS 84 -5.414 8.970 15.761 689 1HG LYS 84 2HG LYS 84 -4.205 11.601 14.969 690 2HG LYS 84 1HG LYS 84 -5.926 11.400 15.300 691 1HD LYS 84 2HD LYS 84 -4.826 10.204 17.478 692 2HD LYS 84 1HD LYS 84 -3.637 11.465 17.143 693 1HE LYS 84 2HE LYS 84 -5.549 13.096 17.055 694 2HE LYS 84 1HE LYS 84 -6.586 11.801 17.654 695 1HZ LYS 84 1HZ LYS 84 -5.078 11.632 19.593 696 2HZ LYS 84 2HZ LYS 84 -5.875 13.120 19.490 697 3HZ LYS 84 3HZ LYS 84 -4.250 12.999 19.038 698 H TYR 85 H TYR 85 -1.805 7.217 14.274 699 HA TYR 85 HA TYR 85 -2.971 5.212 16.087 700 1HB TYR 85 2HB TYR 85 -2.827 5.156 13.217 701 2HB TYR 85 1HB TYR 85 -1.858 3.845 13.879 702 HD1 TYR 85 1HD TYR 85 -5.252 5.333 13.890 703 HD2 TYR 85 2HD TYR 85 -2.879 1.915 14.772 704 HE1 TYR 85 1HE TYR 85 -7.296 4.015 14.251 705 HE2 TYR 85 2HE TYR 85 -4.916 0.587 15.135 706 HH TYR 85 HH TYR 85 -8.028 2.019 15.366 707 H GLY 86 H GLY 86 -0.463 7.041 15.992 708 1HA GLY 86 2HA GLY 86 1.738 6.899 16.626 709 2HA GLY 86 1HA GLY 86 1.249 5.434 17.464 710 H ARG 87 H ARG 87 0.872 5.594 14.025 711 HA ARG 87 HA ARG 87 3.175 3.779 13.728 712 1HB ARG 87 2HB ARG 87 0.676 3.881 12.030 713 2HB ARG 87 1HB ARG 87 1.992 2.724 11.885 714 1HG ARG 87 2HG ARG 87 1.138 2.557 14.543 715 2HG ARG 87 1HG ARG 87 -0.331 2.650 13.571 716 1HD ARG 87 2HD ARG 87 0.279 0.748 12.299 717 2HD ARG 87 1HD ARG 87 1.924 0.764 12.935 718 HE ARG 87 HE ARG 87 -0.333 -0.486 14.109 719 1HH1 ARG 87 1HH1 ARG 87 2.588 1.245 14.918 720 2HH1 ARG 87 2HH1 ARG 87 2.744 0.503 16.475 721 1HH2 ARG 87 1HH2 ARG 87 -0.127 -1.463 16.156 722 2HH2 ARG 87 2HH2 ARG 87 1.205 -1.035 17.177 723 H GLY 88 H GLY 88 4.042 3.747 11.433 724 1HA GLY 88 2HA GLY 88 4.290 6.535 10.505 725 2HA GLY 88 1HA GLY 88 5.535 5.306 10.331 726 H LEU 89 H LEU 89 2.245 6.154 9.285 727 HA LEU 89 HA LEU 89 2.038 4.262 7.247 728 1HB LEU 89 2HB LEU 89 0.371 5.854 6.230 729 2HB LEU 89 1HB LEU 89 0.058 5.357 7.880 730 HG LEU 89 HG LEU 89 0.968 7.520 8.678 731 1HD1 LEU 89 1HD1 LEU 89 0.894 9.231 6.594 732 2HD1 LEU 89 2HD1 LEU 89 1.574 7.808 5.813 733 3HD1 LEU 89 3HD1 LEU 89 2.373 8.506 7.221 734 1HD2 LEU 89 1HD2 LEU 89 -1.503 6.964 7.697 735 2HD2 LEU 89 2HD2 LEU 89 -1.073 8.395 6.760 736 3HD2 LEU 89 3HD2 LEU 89 -1.065 8.462 8.522 737 H ALA 90 H ALA 90 2.354 4.364 5.013 738 HA ALA 90 HA ALA 90 3.317 6.436 3.487 739 1HB ALA 90 1HB ALA 90 5.817 5.484 3.447 740 2HB ALA 90 2HB ALA 90 5.424 5.172 5.137 741 3HB ALA 90 3HB ALA 90 5.315 6.811 4.495 742 H TYR 91 H TYR 91 4.453 5.653 1.459 743 HA TYR 91 HA TYR 91 3.133 3.253 0.566 744 1HB TYR 91 2HB TYR 91 5.057 5.079 -0.890 745 2HB TYR 91 1HB TYR 91 4.091 3.809 -1.633 746 HD1 TYR 91 1HD TYR 91 4.024 7.152 -0.127 747 HD2 TYR 91 2HD TYR 91 1.719 4.111 -2.010 748 HE1 TYR 91 1HE TYR 91 2.194 8.758 -0.469 749 HE2 TYR 91 2HE TYR 91 -0.117 5.709 -2.357 750 HH TYR 91 HH TYR 91 0.147 8.853 -2.311 751 H ILE 92 H ILE 92 3.977 1.269 0.404 752 HA ILE 92 HA ILE 92 6.801 0.922 1.113 753 HB ILE 92 HB ILE 92 4.691 -1.224 0.925 754 1HG1 ILE 92 2HG1 ILE 92 4.111 0.566 2.585 755 2HG1 ILE 92 1HG1 ILE 92 4.355 -1.025 3.298 756 1HG2 ILE 92 1HG2 ILE 92 7.254 -1.243 2.495 757 2HG2 ILE 92 2HG2 ILE 92 7.147 -1.825 0.834 758 3HG2 ILE 92 3HG2 ILE 92 6.201 -2.602 2.105 759 1HD1 ILE 92 1HD1 ILE 92 6.762 0.630 3.217 760 2HD1 ILE 92 2HD1 ILE 92 6.084 -0.334 4.529 761 3HD1 ILE 92 3HD1 ILE 92 5.456 1.282 4.206 762 H TYR 93 H TYR 93 8.269 0.119 -0.258 763 HA TYR 93 HA TYR 93 7.342 -1.050 -2.786 764 1HB TYR 93 2HB TYR 93 9.604 0.944 -2.538 765 2HB TYR 93 1HB TYR 93 9.037 0.188 -4.023 766 HD1 TYR 93 1HD TYR 93 8.317 2.716 -1.470 767 HD2 TYR 93 2HD TYR 93 6.984 0.914 -5.086 768 HE1 TYR 93 1HE TYR 93 6.726 4.561 -1.797 769 HE2 TYR 93 2HE TYR 93 5.385 2.753 -5.421 770 HH TYR 93 HH TYR 93 4.202 4.538 -3.494 771 H ALA 94 H ALA 94 8.336 -2.892 -3.332 772 HA ALA 94 HA ALA 94 10.653 -3.713 -1.718 773 1HB ALA 94 1HB ALA 94 8.243 -5.034 -2.422 774 2HB ALA 94 2HB ALA 94 9.574 -5.629 -1.430 775 3HB ALA 94 3HB ALA 94 9.581 -5.905 -3.172 776 H ASP 95 H ASP 95 12.570 -3.794 -2.651 777 HA ASP 95 HA ASP 95 14.176 -3.537 -4.267 778 1HB ASP 95 2HB ASP 95 13.498 -6.032 -4.140 779 2HB ASP 95 1HB ASP 95 12.747 -5.752 -5.708 780 H GLY 96 H GLY 96 12.185 -1.664 -4.735 781 1HA GLY 96 2HA GLY 96 11.841 -0.115 -6.434 782 2HA GLY 96 1HA GLY 96 12.547 -1.249 -7.573 783 H LYS 97 H LYS 97 10.062 -2.544 -5.608 784 HA LYS 97 HA LYS 97 8.225 -2.430 -7.898 785 1HB LYS 97 2HB LYS 97 8.853 -4.688 -7.263 786 2HB LYS 97 1HB LYS 97 8.387 -4.381 -5.595 787 1HG LYS 97 2HG LYS 97 6.668 -5.666 -6.610 788 2HG LYS 97 1HG LYS 97 6.054 -4.027 -6.385 789 1HD LYS 97 2HD LYS 97 5.420 -4.237 -8.538 790 2HD LYS 97 1HD LYS 97 7.106 -3.831 -8.870 791 1HE LYS 97 2HE LYS 97 7.656 -5.976 -9.436 792 2HE LYS 97 1HE LYS 97 6.426 -6.682 -8.387 793 1HZ LYS 97 1HZ LYS 97 4.830 -6.491 -9.973 794 2HZ LYS 97 2HZ LYS 97 6.172 -6.660 -10.989 795 3HZ LYS 97 3HZ LYS 97 5.524 -5.126 -10.694 796 H MET 98 H MET 98 5.994 -2.035 -7.540 797 HA MET 98 HA MET 98 5.507 -0.320 -5.220 798 1HB MET 98 2HB MET 98 4.012 -0.668 -7.819 799 2HB MET 98 1HB MET 98 3.481 0.387 -6.516 800 1HG MET 98 2HG MET 98 5.849 1.431 -6.764 801 2HG MET 98 1HG MET 98 5.814 0.666 -8.351 802 1HE MET 98 1HE MET 98 3.481 3.922 -6.490 803 2HE MET 98 2HE MET 98 3.551 2.254 -5.922 804 3HE MET 98 3HE MET 98 2.227 2.775 -6.964 805 H VAL 99 H VAL 99 4.721 -1.354 -3.509 806 HA VAL 99 HA VAL 99 3.256 -3.796 -3.687 807 HB VAL 99 HB VAL 99 3.503 -1.998 -1.277 808 1HG1 VAL 99 1HG1 VAL 99 3.494 -4.512 -0.327 809 2HG1 VAL 99 2HG1 VAL 99 2.494 -4.728 -1.763 810 3HG1 VAL 99 3HG1 VAL 99 2.034 -3.546 -0.537 811 1HG2 VAL 99 1HG2 VAL 99 5.356 -4.195 -2.199 812 2HG2 VAL 99 2HG2 VAL 99 5.468 -3.325 -0.669 813 3HG2 VAL 99 3HG2 VAL 99 5.717 -2.469 -2.191 814 H ASN 100 H ASN 100 2.361 -0.467 -2.804 815 HA ASN 100 HA ASN 100 -0.266 -0.815 -2.109 816 1HB ASN 100 2HB ASN 100 -0.646 1.501 -2.800 817 2HB ASN 100 1HB ASN 100 0.904 1.341 -1.981 818 1HD2 ASN 100 1HD2 ASN 100 -0.695 2.408 -4.739 819 2HD2 ASN 100 2HD2 ASN 100 0.689 2.781 -5.704 820 H GLU 101 H GLU 101 0.981 -0.329 -5.411 821 HA GLU 101 HA GLU 101 -1.607 -0.619 -6.596 822 1HB GLU 101 2HB GLU 101 -0.503 -0.405 -8.698 823 2HB GLU 101 1HB GLU 101 0.286 0.702 -7.585 824 1HG GLU 101 2HG GLU 101 2.121 -0.842 -7.300 825 2HG GLU 101 1HG GLU 101 1.322 -2.020 -8.338 826 H ALA 102 H ALA 102 1.213 -2.721 -6.172 827 HA ALA 102 HA ALA 102 0.374 -4.883 -7.714 828 1HB ALA 102 1HB ALA 102 1.930 -5.049 -5.138 829 2HB ALA 102 2HB ALA 102 2.627 -4.618 -6.699 830 3HB ALA 102 3HB ALA 102 1.926 -6.219 -6.458 831 H LEU 103 H LEU 103 -0.322 -4.100 -4.331 832 HA LEU 103 HA LEU 103 -1.754 -6.463 -3.740 833 1HB LEU 103 2HB LEU 103 -1.498 -3.765 -2.503 834 2HB LEU 103 1HB LEU 103 -2.816 -4.794 -1.977 835 HG LEU 103 HG LEU 103 -0.000 -5.825 -1.986 836 1HD1 LEU 103 1HD1 LEU 103 -0.104 -3.643 -0.755 837 2HD1 LEU 103 2HD1 LEU 103 0.363 -5.033 0.224 838 3HD1 LEU 103 3HD1 LEU 103 -1.275 -4.390 0.331 839 1HD2 LEU 103 1HD2 LEU 103 -1.004 -7.090 -0.008 840 2HD2 LEU 103 2HD2 LEU 103 -1.564 -7.531 -1.622 841 3HD2 LEU 103 3HD2 LEU 103 -2.566 -6.512 -0.589 842 H VAL 104 H VAL 104 -2.909 -3.187 -4.550 843 HA VAL 104 HA VAL 104 -5.642 -3.882 -4.621 844 HB VAL 104 HB VAL 104 -4.324 -1.621 -6.122 845 1HG1 VAL 104 1HG1 VAL 104 -6.686 -2.168 -6.706 846 2HG1 VAL 104 2HG1 VAL 104 -6.464 -0.549 -6.043 847 3HG1 VAL 104 3HG1 VAL 104 -7.125 -1.833 -5.031 848 1HG2 VAL 104 1HG2 VAL 104 -5.590 -1.048 -3.538 849 2HG2 VAL 104 2HG2 VAL 104 -4.089 -0.432 -4.230 850 3HG2 VAL 104 3HG2 VAL 104 -4.113 -2.007 -3.439 851 H ARG 105 H ARG 105 -3.264 -3.464 -7.236 852 HA ARG 105 HA ARG 105 -4.913 -3.985 -9.401 853 1HB ARG 105 2HB ARG 105 -2.453 -3.248 -9.367 854 2HB ARG 105 1HB ARG 105 -2.067 -4.960 -9.260 855 1HG ARG 105 2HG ARG 105 -2.596 -5.354 -11.413 856 2HG ARG 105 1HG ARG 105 -3.932 -4.199 -11.408 857 1HD ARG 105 2HD ARG 105 -1.717 -2.593 -11.105 858 2HD ARG 105 1HD ARG 105 -1.150 -3.847 -12.207 859 HE ARG 105 HE ARG 105 -3.523 -3.124 -13.277 860 1HH1 ARG 105 1HH1 ARG 105 -0.719 -1.309 -12.265 861 2HH1 ARG 105 2HH1 ARG 105 -0.956 -0.052 -13.434 862 1HH2 ARG 105 1HH2 ARG 105 -3.837 -1.473 -14.813 863 2HH2 ARG 105 2HH2 ARG 105 -2.727 -0.144 -14.880 864 H GLN 106 H GLN 106 -3.461 -6.192 -7.116 865 HA GLN 106 HA GLN 106 -4.293 -8.522 -8.655 866 1HB GLN 106 2HB GLN 106 -2.558 -8.042 -6.292 867 2HB GLN 106 1HB GLN 106 -3.373 -9.596 -6.378 868 1HG GLN 106 2HG GLN 106 -1.439 -10.111 -7.450 869 2HG GLN 106 1HG GLN 106 -2.414 -9.594 -8.825 870 1HE2 GLN 106 1HE2 GLN 106 0.548 -9.383 -7.555 871 2HE2 GLN 106 2HE2 GLN 106 1.046 -7.846 -8.167 872 H GLY 107 H GLY 107 -5.303 -6.616 -5.931 873 1HA GLY 107 2HA GLY 107 -7.554 -6.617 -5.171 874 2HA GLY 107 1HA GLY 107 -7.713 -8.276 -5.727 875 H LEU 108 H LEU 108 -5.330 -6.701 -3.604 876 HA LEU 108 HA LEU 108 -6.072 -8.648 -1.517 877 1HB LEU 108 2HB LEU 108 -3.394 -7.664 -2.426 878 2HB LEU 108 1HB LEU 108 -3.609 -8.206 -0.773 879 HG LEU 108 HG LEU 108 -2.698 -9.953 -2.283 880 1HD1 LEU 108 1HD1 LEU 108 -4.746 -11.587 -1.731 881 2HD1 LEU 108 2HD1 LEU 108 -5.167 -10.230 -0.687 882 3HD1 LEU 108 3HD1 LEU 108 -3.602 -11.026 -0.512 883 1HD2 LEU 108 1HD2 LEU 108 -4.258 -9.084 -4.195 884 2HD2 LEU 108 2HD2 LEU 108 -5.402 -10.237 -3.510 885 3HD2 LEU 108 3HD2 LEU 108 -3.834 -10.794 -4.095 886 H ALA 109 H ALA 109 -5.316 -5.342 -2.297 887 HA ALA 109 HA ALA 109 -6.182 -4.557 0.392 888 1HB ALA 109 1HB ALA 109 -4.347 -3.321 0.881 889 2HB ALA 109 2HB ALA 109 -4.017 -2.939 -0.808 890 3HB ALA 109 3HB ALA 109 -3.573 -4.516 -0.158 891 H LYS 110 H LYS 110 -7.532 -2.845 0.442 892 HA LYS 110 HA LYS 110 -8.412 -1.760 -2.101 893 1HB LYS 110 2HB LYS 110 -10.211 -0.715 -0.760 894 2HB LYS 110 1HB LYS 110 -10.111 -2.454 -0.517 895 1HG LYS 110 2HG LYS 110 -10.069 -2.070 1.660 896 2HG LYS 110 1HG LYS 110 -8.467 -1.364 1.446 897 1HD LYS 110 2HD LYS 110 -9.419 0.469 2.345 898 2HD LYS 110 1HD LYS 110 -10.041 0.715 0.711 899 1HE LYS 110 2HE LYS 110 -11.521 -0.865 2.799 900 2HE LYS 110 1HE LYS 110 -11.724 0.875 2.600 901 1HZ LYS 110 1HZ LYS 110 -12.055 0.015 0.091 902 2HZ LYS 110 2HZ LYS 110 -13.326 0.249 1.182 903 3HZ LYS 110 3HZ LYS 110 -12.687 -1.300 0.950 904 H VAL 111 H VAL 111 -9.235 0.757 -1.550 905 HA VAL 111 HA VAL 111 -6.689 2.156 -1.101 906 HB VAL 111 HB VAL 111 -9.141 3.235 -2.491 907 1HG1 VAL 111 1HG1 VAL 111 -7.059 4.617 -3.481 908 2HG1 VAL 111 2HG1 VAL 111 -6.456 4.282 -1.857 909 3HG1 VAL 111 3HG1 VAL 111 -7.987 5.132 -2.073 910 1HG2 VAL 111 1HG2 VAL 111 -8.096 2.724 -4.588 911 2HG2 VAL 111 2HG2 VAL 111 -8.180 1.241 -3.636 912 3HG2 VAL 111 3HG2 VAL 111 -6.655 2.114 -3.774 913 H ALA 112 H ALA 112 -6.482 3.047 0.832 914 HA ALA 112 HA ALA 112 -8.517 3.455 2.696 915 1HB ALA 112 1HB ALA 112 -5.815 3.537 2.794 916 2HB ALA 112 2HB ALA 112 -6.867 4.118 4.085 917 3HB ALA 112 3HB ALA 112 -6.196 5.256 2.916 918 H TYR 113 H TYR 113 -8.223 6.033 3.678 919 HA TYR 113 HA TYR 113 -8.924 7.874 1.539 920 1HB TYR 113 2HB TYR 113 -10.861 6.823 3.551 921 2HB TYR 113 1HB TYR 113 -10.981 8.518 3.088 922 HD1 TYR 113 1HD TYR 113 -10.989 5.064 1.726 923 HD2 TYR 113 2HD TYR 113 -12.015 9.140 1.070 924 HE1 TYR 113 1HE TYR 113 -12.247 4.417 -0.285 925 HE2 TYR 113 2HE TYR 113 -13.277 8.505 -0.942 926 HH TYR 113 HH TYR 113 -12.932 5.873 -2.576 927 H VAL 114 H VAL 114 -7.074 9.020 2.142 928 HA VAL 114 HA VAL 114 -6.633 9.888 4.828 929 HB VAL 114 HB VAL 114 -5.417 11.022 2.312 930 1HG1 VAL 114 1HG1 VAL 114 -3.501 11.324 4.092 931 2HG1 VAL 114 2HG1 VAL 114 -4.854 11.295 5.223 932 3HG1 VAL 114 3HG1 VAL 114 -4.799 12.507 3.943 933 1HG2 VAL 114 1HG2 VAL 114 -4.073 9.247 2.113 934 2HG2 VAL 114 2HG2 VAL 114 -5.230 8.407 3.146 935 3HG2 VAL 114 3HG2 VAL 114 -3.795 9.153 3.851 936 H TYR 115 H TYR 115 -6.626 12.109 5.552 937 HA TYR 115 HA TYR 115 -9.035 13.445 5.084 938 1HB TYR 115 2HB TYR 115 -6.474 14.587 6.222 939 2HB TYR 115 1HB TYR 115 -8.085 15.276 6.406 940 HD1 TYR 115 2HD TYR 115 -5.843 12.553 7.426 941 HD2 TYR 115 1HD TYR 115 -9.671 14.328 7.960 942 HE1 TYR 115 2HE TYR 115 -6.173 11.213 9.461 943 HE2 TYR 115 1HE TYR 115 -10.013 12.995 9.998 944 HH TYR 115 HH TYR 115 -8.952 10.591 10.823 945 H LYS 116 H LYS 116 -5.757 14.217 3.934 946 HA LYS 116 HA LYS 116 -6.540 15.098 1.412 947 1HB LYS 116 2HB LYS 116 -6.099 17.598 1.790 948 2HB LYS 116 1HB LYS 116 -7.662 16.963 2.285 949 1HG LYS 116 2HG LYS 116 -7.290 17.380 4.459 950 2HG LYS 116 1HG LYS 116 -5.589 16.921 4.364 951 1HD LYS 116 2HD LYS 116 -4.953 19.038 3.561 952 2HD LYS 116 1HD LYS 116 -6.614 19.476 3.159 953 1HE LYS 116 2HE LYS 116 -6.535 20.599 5.106 954 2HE LYS 116 1HE LYS 116 -6.843 19.013 5.815 955 1HZ LYS 116 1HZ LYS 116 -4.857 20.488 6.619 956 2HZ LYS 116 2HZ LYS 116 -4.066 19.792 5.295 957 3HZ LYS 116 3HZ LYS 116 -4.697 18.806 6.515 958 H GLY 117 H GLY 117 -4.275 15.429 4.078 959 1HA GLY 117 2HA GLY 117 -2.061 16.493 2.840 960 2HA GLY 117 1HA GLY 117 -1.982 15.291 4.119 961 H ASN 118 H ASN 118 -2.807 13.009 3.056 962 HA ASN 118 HA ASN 118 -0.830 12.525 0.952 963 1HB ASN 118 2HB ASN 118 -0.640 11.147 2.970 964 2HB ASN 118 1HB ASN 118 -2.289 10.575 2.749 965 1HD2 ASN 118 1HD2 ASN 118 0.254 11.046 0.342 966 2HD2 ASN 118 2HD2 ASN 118 0.333 9.394 -0.153 967 H ASN 119 H ASN 119 -1.963 13.215 -0.851 968 HA ASN 119 HA ASN 119 -3.889 11.304 -1.870 969 1HB ASN 119 2HB ASN 119 -4.572 14.162 -1.265 970 2HB ASN 119 1HB ASN 119 -5.343 13.345 -2.620 971 1HD2 ASN 119 1HD2 ASN 119 -4.951 13.418 0.838 972 2HD2 ASN 119 2HD2 ASN 119 -6.319 12.431 1.214 973 H THR 120 H THR 120 -1.231 11.859 -2.591 974 HA THR 120 HA THR 120 -1.361 13.462 -5.022 975 HB THR 120 HB THR 120 1.149 12.496 -5.046 976 HG1 THR 120 1HG THR 120 0.554 12.651 -2.287 977 1HG2 THR 120 1HG2 THR 120 1.085 14.533 -3.024 978 2HG2 THR 120 2HG2 THR 120 -0.020 14.920 -4.343 979 3HG2 THR 120 3HG2 THR 120 1.682 14.608 -4.682 980 H HIS 121 H HIS 121 -0.360 10.157 -4.129 981 HA HIS 121 HA HIS 121 -0.499 9.315 -6.897 982 1HB HIS 121 2HB HIS 121 0.074 7.693 -4.410 983 2HB HIS 121 1HB HIS 121 0.304 7.158 -6.072 984 HD1 HIS 121 1HD HIS 121 2.794 6.914 -6.148 985 HD2 HIS 121 2HD HIS 121 1.606 10.591 -4.622 986 HE1 HIS 121 1HE HIS 121 4.905 8.262 -5.924 987 HE2 HIS 121 2HE HIS 121 4.151 10.512 -5.077 988 H GLU 122 H GLU 122 -2.847 9.897 -4.759 989 HA GLU 122 HA GLU 122 -4.404 7.641 -4.493 990 1HB GLU 122 2HB GLU 122 -4.925 9.808 -3.453 991 2HB GLU 122 1HB GLU 122 -5.356 10.460 -5.029 992 1HG GLU 122 2HG GLU 122 -7.438 9.879 -4.517 993 2HG GLU 122 1HG GLU 122 -6.929 8.227 -4.862 994 H GLN 123 H GLN 123 -3.777 9.521 -7.342 995 HA GLN 123 HA GLN 123 -5.985 8.703 -8.897 996 1HB GLN 123 2HB GLN 123 -3.263 9.339 -10.017 997 2HB GLN 123 1HB GLN 123 -4.836 9.606 -10.758 998 1HG GLN 123 2HG GLN 123 -5.239 11.215 -8.784 999 2HG GLN 123 1HG GLN 123 -3.487 11.155 -8.588 1000 1HE2 GLN 123 1HE2 GLN 123 -3.526 13.424 -9.057 1001 2HE2 GLN 123 2HE2 GLN 123 -3.606 13.968 -10.695 1002 H LEU 124 H LEU 124 -2.688 7.419 -8.603 1003 HA LEU 124 HA LEU 124 -2.932 5.364 -10.492 1004 1HB LEU 124 2HB LEU 124 -1.268 5.110 -8.005 1005 2HB LEU 124 1HB LEU 124 -0.944 4.473 -9.606 1006 HG LEU 124 HG LEU 124 -0.732 7.344 -8.707 1007 1HD1 LEU 124 1HD1 LEU 124 1.278 6.476 -8.132 1008 2HD1 LEU 124 2HD1 LEU 124 1.610 6.767 -9.840 1009 3HD1 LEU 124 3HD1 LEU 124 1.165 5.152 -9.291 1010 1HD2 LEU 124 1HD2 LEU 124 -1.021 6.176 -11.407 1011 2HD2 LEU 124 2HD2 LEU 124 0.237 7.395 -11.203 1012 3HD2 LEU 124 3HD2 LEU 124 -1.437 7.784 -10.812 1013 H LEU 125 H LEU 125 -3.395 5.291 -6.964 1014 HA LEU 125 HA LEU 125 -4.108 2.585 -6.779 1015 1HB LEU 125 2HB LEU 125 -4.933 4.905 -5.032 1016 2HB LEU 125 1HB LEU 125 -5.137 3.214 -4.615 1017 HG LEU 125 HG LEU 125 -2.500 3.200 -5.063 1018 1HD1 LEU 125 1HD1 LEU 125 -1.897 5.461 -3.729 1019 2HD1 LEU 125 2HD1 LEU 125 -3.246 6.025 -4.713 1020 3HD1 LEU 125 3HD1 LEU 125 -1.832 5.307 -5.484 1021 1HD2 LEU 125 1HD2 LEU 125 -2.199 3.332 -2.679 1022 2HD2 LEU 125 2HD2 LEU 125 -3.714 2.495 -3.021 1023 3HD2 LEU 125 3HD2 LEU 125 -3.735 4.178 -2.493 1024 H ARG 126 H ARG 126 -6.003 5.460 -7.476 1025 HA ARG 126 HA ARG 126 -8.567 4.374 -7.194 1026 1HB ARG 126 2HB ARG 126 -7.373 6.730 -8.479 1027 2HB ARG 126 1HB ARG 126 -8.866 6.186 -9.230 1028 1HG ARG 126 2HG ARG 126 -8.952 6.330 -6.304 1029 2HG ARG 126 1HG ARG 126 -8.719 7.877 -7.118 1030 1HD ARG 126 2HD ARG 126 -10.696 6.654 -8.608 1031 2HD ARG 126 1HD ARG 126 -11.085 6.190 -6.952 1032 HE ARG 126 HE ARG 126 -11.266 8.817 -8.111 1033 1HH1 ARG 126 1HH1 ARG 126 -10.959 7.006 -5.142 1034 2HH1 ARG 126 2HH1 ARG 126 -11.620 8.269 -4.159 1035 1HH2 ARG 126 1HH2 ARG 126 -12.134 10.479 -6.817 1036 2HH2 ARG 126 2HH2 ARG 126 -12.288 10.239 -5.109 1037 H LYS 127 H LYS 127 -6.342 4.381 -9.937 1038 HA LYS 127 HA LYS 127 -8.164 3.212 -11.780 1039 1HB LYS 127 2HB LYS 127 -5.299 3.902 -11.729 1040 2HB LYS 127 1HB LYS 127 -5.715 2.551 -12.774 1041 1HG LYS 127 2HG LYS 127 -5.818 4.437 -14.148 1042 2HG LYS 127 1HG LYS 127 -7.500 4.066 -13.763 1043 1HD LYS 127 2HD LYS 127 -6.168 5.901 -11.891 1044 2HD LYS 127 1HD LYS 127 -6.373 6.525 -13.528 1045 1HE LYS 127 2HE LYS 127 -8.661 6.502 -13.399 1046 2HE LYS 127 1HE LYS 127 -8.688 5.191 -12.219 1047 1HZ LYS 127 1HZ LYS 127 -7.651 6.916 -10.657 1048 2HZ LYS 127 2HZ LYS 127 -9.302 7.044 -11.000 1049 3HZ LYS 127 3HZ LYS 127 -8.198 8.066 -11.772 1050 H SER 128 H SER 128 -5.677 1.911 -9.633 1051 HA SER 128 HA SER 128 -5.867 -0.766 -10.556 1052 1HB SER 128 2HB SER 128 -5.021 -0.123 -7.755 1053 2HB SER 128 1HB SER 128 -4.348 -1.298 -8.885 1054 HG SER 128 HG SER 128 -3.458 0.429 -10.058 1055 H GLU 129 H GLU 129 -7.484 1.060 -8.019 1056 HA GLU 129 HA GLU 129 -8.756 -1.130 -6.765 1057 1HB GLU 129 2HB GLU 129 -8.472 1.251 -5.881 1058 2HB GLU 129 1HB GLU 129 -9.857 1.673 -6.880 1059 1HG GLU 129 2HG GLU 129 -10.825 -0.476 -5.555 1060 2HG GLU 129 1HG GLU 129 -9.728 0.196 -4.349 1061 H ALA 130 H ALA 130 -10.061 1.281 -9.047 1062 HA ALA 130 HA ALA 130 -12.558 0.078 -9.403 1063 1HB ALA 130 1HB ALA 130 -11.207 1.585 -11.609 1064 2HB ALA 130 2HB ALA 130 -11.711 2.406 -10.133 1065 3HB ALA 130 3HB ALA 130 -12.906 1.583 -11.135 1066 H GLN 131 H GLN 131 -9.498 -0.421 -11.090 1067 HA GLN 131 HA GLN 131 -10.451 -2.038 -13.173 1068 1HB GLN 131 2HB GLN 131 -7.807 -1.588 -11.879 1069 2HB GLN 131 1HB GLN 131 -7.982 -3.007 -12.902 1070 1HG GLN 131 2HG GLN 131 -9.016 -0.548 -14.093 1071 2HG GLN 131 1HG GLN 131 -7.284 -0.519 -13.757 1072 1HE2 GLN 131 1HE2 GLN 131 -9.498 -1.207 -16.047 1073 2HE2 GLN 131 2HE2 GLN 131 -8.613 -2.350 -16.992 1074 H ALA 132 H ALA 132 -9.193 -2.908 -9.966 1075 HA ALA 132 HA ALA 132 -9.524 -5.710 -10.333 1076 1HB ALA 132 1HB ALA 132 -9.197 -4.071 -7.823 1077 2HB ALA 132 2HB ALA 132 -7.929 -4.900 -8.724 1078 3HB ALA 132 3HB ALA 132 -9.165 -5.833 -7.881 1079 H LYS 133 H LYS 133 -11.586 -3.137 -9.190 1080 HA LYS 133 HA LYS 133 -13.531 -4.746 -7.908 1081 1HB LYS 133 2HB LYS 133 -13.088 -2.071 -8.081 1082 2HB LYS 133 1HB LYS 133 -14.460 -2.245 -9.167 1083 1HG LYS 133 2HG LYS 133 -14.431 -3.309 -6.355 1084 2HG LYS 133 1HG LYS 133 -15.028 -1.706 -6.790 1085 1HD LYS 133 2HD LYS 133 -17.003 -2.774 -6.994 1086 2HD LYS 133 1HD LYS 133 -16.365 -3.238 -8.574 1087 1HE LYS 133 2HE LYS 133 -15.476 -5.313 -7.554 1088 2HE LYS 133 1HE LYS 133 -16.239 -4.855 -6.032 1089 1HZ LYS 133 1HZ LYS 133 -18.375 -4.764 -7.393 1090 2HZ LYS 133 2HZ LYS 133 -17.749 -6.292 -7.031 1091 3HZ LYS 133 3HZ LYS 133 -17.529 -5.634 -8.573 1092 H LYS 134 H LYS 134 -13.449 -3.283 -11.156 1093 HA LYS 134 HA LYS 134 -15.887 -4.418 -12.020 1094 1HB LYS 134 2HB LYS 134 -13.568 -3.636 -13.786 1095 2HB LYS 134 1HB LYS 134 -15.270 -3.699 -14.222 1096 1HG LYS 134 2HG LYS 134 -15.696 -1.669 -13.368 1097 2HG LYS 134 1HG LYS 134 -14.637 -1.916 -11.979 1098 1HD LYS 134 2HD LYS 134 -12.685 -1.553 -13.462 1099 2HD LYS 134 1HD LYS 134 -13.797 -1.192 -14.785 1100 1HE LYS 134 2HE LYS 134 -14.001 0.303 -12.204 1101 2HE LYS 134 1HE LYS 134 -12.770 0.749 -13.385 1102 1HZ LYS 134 1HZ LYS 134 -14.894 1.995 -13.582 1103 2HZ LYS 134 2HZ LYS 134 -15.660 0.553 -14.023 1104 3HZ LYS 134 3HZ LYS 134 -14.436 1.192 -15.000 1105 H GLU 135 H GLU 135 -12.548 -5.514 -12.176 1106 HA GLU 135 HA GLU 135 -13.160 -7.809 -13.793 1107 1HB GLU 135 2HB GLU 135 -10.736 -6.709 -12.461 1108 2HB GLU 135 1HB GLU 135 -10.742 -8.422 -12.858 1109 1HG GLU 135 2HG GLU 135 -11.083 -7.946 -15.180 1110 2HG GLU 135 1HG GLU 135 -11.293 -6.229 -14.841 1111 H LYS 136 H LYS 136 -13.163 -7.081 -10.415 1112 HA LYS 136 HA LYS 136 -13.629 -8.318 -8.563 1113 1HB LYS 136 2HB LYS 136 -14.763 -10.257 -10.588 1114 2HB LYS 136 1HB LYS 136 -15.072 -10.294 -8.858 1115 1HG LYS 136 2HG LYS 136 -15.667 -7.727 -10.133 1116 2HG LYS 136 1HG LYS 136 -16.650 -9.077 -10.703 1117 1HD LYS 136 2HD LYS 136 -16.351 -9.060 -7.810 1118 2HD LYS 136 1HD LYS 136 -17.091 -7.579 -8.422 1119 1HE LYS 136 2HE LYS 136 -18.873 -9.066 -7.994 1120 2HE LYS 136 1HE LYS 136 -18.654 -9.062 -9.743 1121 1HZ LYS 136 1HZ LYS 136 -18.962 -11.301 -8.835 1122 2HZ LYS 136 2HZ LYS 136 -17.562 -11.122 -7.904 1123 3HZ LYS 136 3HZ LYS 136 -17.459 -11.131 -9.593 1124 H LEU 137 H LEU 137 -11.162 -8.485 -8.688 1125 HA LEU 137 HA LEU 137 -10.014 -10.989 -9.425 1126 1HB LEU 137 2HB LEU 137 -9.060 -8.545 -7.999 1127 2HB LEU 137 1HB LEU 137 -8.104 -10.013 -7.899 1128 HG LEU 137 HG LEU 137 -8.935 -9.101 -10.605 1129 1HD1 LEU 137 1HD1 LEU 137 -6.746 -7.789 -9.002 1130 2HD1 LEU 137 2HD1 LEU 137 -8.224 -7.023 -9.581 1131 3HD1 LEU 137 3HD1 LEU 137 -7.012 -7.583 -10.733 1132 1HD2 LEU 137 1HD2 LEU 137 -6.872 -10.085 -11.258 1133 2HD2 LEU 137 2HD2 LEU 137 -7.639 -11.197 -10.124 1134 3HD2 LEU 137 3HD2 LEU 137 -6.310 -10.168 -9.589 1135 H ASN 138 H ASN 138 -9.824 -9.542 -6.183 1136 HA ASN 138 HA ASN 138 -10.750 -12.084 -5.047 1137 1HB ASN 138 2HB ASN 138 -8.135 -10.712 -4.555 1138 2HB ASN 138 1HB ASN 138 -8.884 -11.636 -3.257 1139 1HD2 ASN 138 1HD2 ASN 138 -6.443 -12.341 -4.259 1140 2HD2 ASN 138 2HD2 ASN 138 -6.575 -13.831 -5.125 1141 H ILE 139 H ILE 139 -9.370 -9.133 -3.613 1142 HA ILE 139 HA ILE 139 -11.107 -8.976 -1.469 1143 HB ILE 139 HB ILE 139 -10.503 -6.594 -1.296 1144 1HG1 ILE 139 2HG1 ILE 139 -9.130 -7.061 -3.953 1145 2HG1 ILE 139 1HG1 ILE 139 -10.532 -6.031 -3.684 1146 1HG2 ILE 139 1HG2 ILE 139 -8.788 -7.560 -0.252 1147 2HG2 ILE 139 2HG2 ILE 139 -7.862 -7.248 -1.719 1148 3HG2 ILE 139 3HG2 ILE 139 -8.636 -8.814 -1.484 1149 1HD1 ILE 139 1HD1 ILE 139 -7.680 -5.576 -2.997 1150 2HD1 ILE 139 2HD1 ILE 139 -8.921 -4.853 -1.974 1151 3HD1 ILE 139 3HD1 ILE 139 -8.869 -4.476 -3.696 1152 H TRP 140 H TRP 140 -11.523 -7.751 -4.741 1153 HA TRP 140 HA TRP 140 -14.122 -6.618 -3.996 1154 1HB TRP 140 2HB TRP 140 -12.649 -6.380 -6.626 1155 2HB TRP 140 1HB TRP 140 -14.083 -5.484 -6.140 1156 HD1 TRP 140 HD TRP 140 -10.762 -4.659 -6.729 1157 HE1 TRP 140 1HE TRP 140 -9.834 -2.848 -5.153 1158 HE3 TRP 140 3HE TRP 140 -14.272 -4.931 -3.020 1159 HZ2 TRP 140 2HZ TRP 140 -10.501 -1.688 -2.670 1160 HZ3 TRP 140 3HZ TRP 140 -14.053 -3.434 -1.080 1161 HH2 TRP 140 HH TRP 140 -12.206 -1.847 -0.910 1162 H SER 141 H SER 141 -13.595 -9.511 -4.212 1163 HA SER 141 HA SER 141 -15.392 -10.165 -6.452 1164 1HB SER 141 2HB SER 141 -12.989 -11.177 -6.273 1165 2HB SER 141 1HB SER 141 -13.712 -12.219 -5.047 1166 HG SER 141 HG SER 141 -13.911 -12.352 -7.737 1167 H GLU 142 H GLU 142 -16.038 -9.267 -3.656 1168 HA GLU 142 HA GLU 142 -18.310 -10.791 -3.210 1169 1HB GLU 142 2HB GLU 142 -17.540 -11.900 -1.019 1170 2HB GLU 142 1HB GLU 142 -17.106 -12.678 -2.533 1171 1HG GLU 142 2HG GLU 142 -14.874 -11.716 -2.402 1172 2HG GLU 142 1HG GLU 142 -15.306 -10.905 -0.897 1173 H ASP 143 H ASP 143 -17.564 -8.095 -3.192 1174 HA ASP 143 HA ASP 143 -17.770 -7.299 -0.376 1175 1HB ASP 143 2HB ASP 143 -17.221 -5.018 -1.213 1176 2HB ASP 143 1HB ASP 143 -15.974 -6.208 -1.576 1177 H ASN 144 H ASN 144 -19.187 -5.366 0.050 1178 HA ASN 144 HA ASN 144 -21.732 -5.705 -1.388 1179 1HB ASN 144 2HB ASN 144 -21.051 -5.180 1.467 1180 2HB ASN 144 1HB ASN 144 -22.540 -4.483 0.835 1181 1HD2 ASN 144 1HD2 ASN 144 -20.906 -7.564 0.206 1182 2HD2 ASN 144 2HD2 ASN 144 -22.245 -8.561 0.651 1183 H ALA 145 H ALA 145 -19.329 -3.412 -0.350 1184 HA ALA 145 HA ALA 145 -18.927 -1.255 -0.959 1185 1HB ALA 145 1HB ALA 145 -19.625 -2.082 -3.221 1186 2HB ALA 145 2HB ALA 145 -19.898 -0.362 -2.943 1187 3HB ALA 145 3HB ALA 145 -21.248 -1.493 -2.864 1188 H ASP 146 H ASP 146 -22.471 -1.475 -1.296 1189 HA ASP 146 HA ASP 146 -22.726 0.813 0.507 1190 1HB ASP 146 2HB ASP 146 -23.891 0.749 -1.742 1191 2HB ASP 146 1HB ASP 146 -24.920 -0.521 -1.084 1192 H SER 147 H SER 147 -22.099 -0.604 2.331 1193 HA SER 147 HA SER 147 -24.273 -2.360 3.231 1194 1HB SER 147 2HB SER 147 -22.714 -3.463 4.623 1195 2HB SER 147 1HB SER 147 -21.837 -3.168 3.122 1196 HG SER 147 HG SER 147 -20.436 -2.241 4.381 1197 H GLY 148 H GLY 148 -23.922 -2.359 5.924 1198 1HA GLY 148 2HA GLY 148 -24.281 0.458 6.726 1199 2HA GLY 148 1HA GLY 148 -25.453 -0.766 7.191 1200 H GLN 149 H GLN 149 -22.051 0.157 7.499 1201 HA GLN 149 HA GLN 149 -20.543 -0.121 9.180 1202 1HB GLN 149 2HB GLN 149 -22.422 0.954 10.467 1203 2HB GLN 149 1HB GLN 149 -22.935 -0.658 10.944 1204 1HG GLN 149 2HG GLN 149 -20.816 -1.025 12.067 1205 2HG GLN 149 1HG GLN 149 -20.249 0.561 11.546 1206 1HE2 GLN 149 1HE2 GLN 149 -19.921 0.841 13.871 1207 2HE2 GLN 149 2HE2 GLN 149 -21.246 1.391 14.836 Start of MODEL 8 1 1H ALA 1 1HT ALA 1 8.992 25.517 -14.268 2 2H ALA 1 2HT ALA 1 8.643 25.677 -15.941 3 3H ALA 1 3HT ALA 1 10.233 25.283 -15.427 4 HA ALA 1 HA ALA 1 7.814 23.632 -15.172 5 1HB ALA 1 1HB ALA 1 10.224 22.696 -16.594 6 2HB ALA 1 2HB ALA 1 9.298 23.976 -17.380 7 3HB ALA 1 3HB ALA 1 8.517 22.451 -16.964 8 H THR 2 H THR 2 8.999 21.227 -14.995 9 HA THR 2 HA THR 2 10.888 21.352 -12.760 10 HB THR 2 HB THR 2 9.570 19.637 -11.537 11 HG1 THR 2 1HG THR 2 8.352 18.802 -13.232 12 1HG2 THR 2 1HG2 THR 2 7.520 21.695 -11.825 13 2HG2 THR 2 2HG2 THR 2 9.138 22.316 -11.502 14 3HG2 THR 2 3HG2 THR 2 8.403 21.155 -10.397 15 H SER 3 H SER 3 11.516 18.963 -12.163 16 HA SER 3 HA SER 3 11.453 17.064 -14.302 17 1HB SER 3 2HB SER 3 14.165 18.245 -13.692 18 2HB SER 3 1HB SER 3 13.741 17.109 -14.972 19 HG SER 3 HG SER 3 12.691 18.718 -16.053 20 H THR 4 H THR 4 13.207 18.124 -11.403 21 HA THR 4 HA THR 4 13.539 15.331 -10.594 22 HB THR 4 HB THR 4 14.595 17.653 -9.023 23 HG1 THR 4 1HG THR 4 15.216 18.078 -11.156 24 1HG2 THR 4 1HG2 THR 4 15.185 15.726 -7.934 25 2HG2 THR 4 2HG2 THR 4 16.588 15.990 -8.971 26 3HG2 THR 4 3HG2 THR 4 15.362 14.805 -9.428 27 H LYS 5 H LYS 5 13.282 14.956 -8.158 28 HA LYS 5 HA LYS 5 11.894 14.760 -6.369 29 1HB LYS 5 2HB LYS 5 11.615 17.660 -7.062 30 2HB LYS 5 1HB LYS 5 10.584 16.964 -5.820 31 1HG LYS 5 2HG LYS 5 12.330 16.605 -4.375 32 2HG LYS 5 1HG LYS 5 13.526 16.527 -5.670 33 1HD LYS 5 2HD LYS 5 12.642 19.073 -5.946 34 2HD LYS 5 1HD LYS 5 12.466 18.849 -4.204 35 1HE LYS 5 2HE LYS 5 14.999 17.970 -5.491 36 2HE LYS 5 1HE LYS 5 14.730 19.700 -5.277 37 1HZ LYS 5 1HZ LYS 5 15.738 19.171 -3.315 38 2HZ LYS 5 2HZ LYS 5 15.090 17.609 -3.252 39 3HZ LYS 5 3HZ LYS 5 14.122 18.942 -2.867 40 H LYS 6 H LYS 6 10.562 13.214 -7.351 41 HA LYS 6 HA LYS 6 7.850 14.149 -7.839 42 1HB LYS 6 2HB LYS 6 9.027 14.047 -10.064 43 2HB LYS 6 1HB LYS 6 9.217 12.317 -9.813 44 1HG LYS 6 2HG LYS 6 7.305 12.218 -10.988 45 2HG LYS 6 1HG LYS 6 6.569 12.551 -9.419 46 1HD LYS 6 2HD LYS 6 6.870 15.036 -10.076 47 2HD LYS 6 1HD LYS 6 7.050 14.413 -11.717 48 1HE LYS 6 2HE LYS 6 4.858 13.137 -11.219 49 2HE LYS 6 1HE LYS 6 4.674 14.288 -9.897 50 1HZ LYS 6 1HZ LYS 6 5.239 15.277 -12.608 51 2HZ LYS 6 2HZ LYS 6 4.424 16.040 -11.338 52 3HZ LYS 6 3HZ LYS 6 3.664 14.806 -12.209 53 H LEU 7 H LEU 7 10.005 11.324 -7.733 54 HA LEU 7 HA LEU 7 8.082 10.000 -5.971 55 1HB LEU 7 2HB LEU 7 8.361 7.872 -7.211 56 2HB LEU 7 1HB LEU 7 7.518 9.109 -8.122 57 HG LEU 7 HG LEU 7 10.193 9.427 -8.843 58 1HD1 LEU 7 1HD1 LEU 7 10.120 6.950 -7.740 59 2HD1 LEU 7 2HD1 LEU 7 11.226 7.445 -9.022 60 3HD1 LEU 7 3HD1 LEU 7 9.738 6.589 -9.423 61 1HD2 LEU 7 1HD2 LEU 7 7.706 8.406 -10.085 62 2HD2 LEU 7 2HD2 LEU 7 9.221 8.094 -10.932 63 3HD2 LEU 7 3HD2 LEU 7 8.744 9.750 -10.561 64 H HIS 8 H HIS 8 9.641 10.523 -4.349 65 HA HIS 8 HA HIS 8 12.213 9.134 -4.536 66 1HB HIS 8 2HB HIS 8 12.204 11.518 -3.854 67 2HB HIS 8 1HB HIS 8 11.234 11.093 -2.447 68 HD1 HIS 8 1HD HIS 8 14.624 11.660 -3.403 69 HD2 HIS 8 2HD HIS 8 12.716 9.069 -0.774 70 HE1 HIS 8 1HE HIS 8 16.409 10.883 -1.812 71 HE2 HIS 8 2HE HIS 8 15.250 9.245 -0.287 72 H LYS 9 H LYS 9 12.800 7.489 -3.194 73 HA LYS 9 HA LYS 9 10.694 6.447 -1.418 74 1HB LYS 9 2HB LYS 9 11.736 4.226 -1.764 75 2HB LYS 9 1HB LYS 9 11.135 4.938 -3.254 76 1HG LYS 9 2HG LYS 9 13.974 5.425 -2.571 77 2HG LYS 9 1HG LYS 9 13.522 3.796 -3.076 78 1HD LYS 9 2HD LYS 9 12.250 5.202 -4.966 79 2HD LYS 9 1HD LYS 9 13.568 6.323 -4.617 80 1HE LYS 9 2HE LYS 9 15.132 4.968 -5.513 81 2HE LYS 9 1HE LYS 9 14.353 3.503 -4.917 82 1HZ LYS 9 1HZ LYS 9 14.196 3.455 -7.254 83 2HZ LYS 9 2HZ LYS 9 13.666 5.059 -7.344 84 3HZ LYS 9 3HZ LYS 9 12.650 3.869 -6.703 85 H GLU 10 H GLU 10 11.349 5.424 0.554 86 HA GLU 10 HA GLU 10 14.027 6.164 1.504 87 1HB GLU 10 2HB GLU 10 11.908 7.652 2.183 88 2HB GLU 10 1HB GLU 10 11.759 6.407 3.415 89 1HG GLU 10 2HG GLU 10 13.077 7.867 4.534 90 2HG GLU 10 1HG GLU 10 14.332 6.927 3.730 91 H ALA 11 H ALA 11 12.903 5.210 4.254 92 HA ALA 11 HA ALA 11 12.796 3.292 5.465 93 1HB ALA 11 1HB ALA 11 11.446 1.676 4.697 94 2HB ALA 11 2HB ALA 11 12.375 1.458 3.216 95 3HB ALA 11 3HB ALA 11 11.206 2.766 3.336 96 H ALA 12 H ALA 12 13.621 0.596 4.277 97 HA ALA 12 HA ALA 12 16.219 0.739 3.270 98 1HB ALA 12 1HB ALA 12 16.633 0.010 6.077 99 2HB ALA 12 2HB ALA 12 16.244 1.709 5.812 100 3HB ALA 12 3HB ALA 12 17.628 0.983 4.995 101 H THR 13 H THR 13 14.855 -1.117 6.019 102 HA THR 13 HA THR 13 14.809 -3.489 4.295 103 HB THR 13 HB THR 13 16.279 -3.278 6.923 104 HG1 THR 13 1HG THR 13 17.039 -3.849 4.264 105 1HG2 THR 13 1HG2 THR 13 15.529 -5.738 5.375 106 2HG2 THR 13 2HG2 THR 13 15.214 -5.377 7.073 107 3HG2 THR 13 3HG2 THR 13 16.863 -5.686 6.528 108 H LEU 14 H LEU 14 13.596 -5.275 5.154 109 HA LEU 14 HA LEU 14 11.343 -4.379 6.799 110 1HB LEU 14 2HB LEU 14 10.705 -5.286 4.683 111 2HB LEU 14 1HB LEU 14 11.734 -6.686 4.900 112 HG LEU 14 HG LEU 14 9.224 -7.023 5.146 113 1HD1 LEU 14 1HD1 LEU 14 11.233 -8.447 6.048 114 2HD1 LEU 14 2HD1 LEU 14 9.568 -8.834 6.480 115 3HD1 LEU 14 3HD1 LEU 14 10.589 -7.948 7.611 116 1HD2 LEU 14 1HD2 LEU 14 8.060 -5.977 6.723 117 2HD2 LEU 14 2HD2 LEU 14 9.466 -4.940 6.962 118 3HD2 LEU 14 3HD2 LEU 14 9.250 -6.377 7.961 119 H ILE 15 H ILE 15 10.770 -5.363 8.706 120 HA ILE 15 HA ILE 15 12.701 -7.303 9.785 121 HB ILE 15 HB ILE 15 10.799 -5.476 11.262 122 1HG1 ILE 15 2HG1 ILE 15 13.404 -4.925 12.044 123 2HG1 ILE 15 1HG1 ILE 15 13.543 -5.189 10.310 124 1HG2 ILE 15 1HG2 ILE 15 11.055 -7.487 12.529 125 2HG2 ILE 15 2HG2 ILE 15 12.052 -6.242 13.281 126 3HG2 ILE 15 3HG2 ILE 15 12.800 -7.486 12.278 127 1HD1 ILE 15 1HD1 ILE 15 11.924 -3.477 9.870 128 2HD1 ILE 15 2HD1 ILE 15 13.181 -2.833 10.927 129 3HD1 ILE 15 3HD1 ILE 15 11.610 -3.279 11.594 130 H LYS 16 H LYS 16 9.210 -6.550 9.895 131 HA LYS 16 HA LYS 16 8.396 -9.174 9.303 132 1HB LYS 16 2HB LYS 16 9.374 -9.278 11.744 133 2HB LYS 16 1HB LYS 16 7.817 -8.584 12.178 134 1HG LYS 16 2HG LYS 16 7.484 -10.817 10.386 135 2HG LYS 16 1HG LYS 16 8.423 -11.274 11.809 136 1HD LYS 16 2HD LYS 16 6.665 -11.031 13.204 137 2HD LYS 16 1HD LYS 16 6.050 -9.617 12.346 138 1HE LYS 16 2HE LYS 16 4.506 -11.512 12.192 139 2HE LYS 16 1HE LYS 16 5.129 -11.050 10.609 140 1HZ LYS 16 1HZ LYS 16 6.227 -12.986 10.378 141 2HZ LYS 16 2HZ LYS 16 5.085 -13.553 11.490 142 3HZ LYS 16 3HZ LYS 16 6.627 -13.102 12.019 143 H ALA 17 H ALA 17 6.364 -9.062 8.558 144 HA ALA 17 HA ALA 17 4.917 -6.600 8.755 145 1HB ALA 17 1HB ALA 17 3.217 -7.741 7.374 146 2HB ALA 17 2HB ALA 17 4.140 -9.239 7.522 147 3HB ALA 17 3HB ALA 17 4.841 -7.850 6.692 148 H ILE 18 H ILE 18 2.801 -6.316 9.587 149 HA ILE 18 HA ILE 18 2.211 -8.084 11.864 150 HB ILE 18 HB ILE 18 1.327 -5.220 11.504 151 1HG1 ILE 18 2HG1 ILE 18 3.301 -5.868 13.594 152 2HG1 ILE 18 1HG1 ILE 18 3.906 -6.011 11.947 153 1HG2 ILE 18 1HG2 ILE 18 0.731 -5.338 13.853 154 2HG2 ILE 18 2HG2 ILE 18 1.295 -7.007 13.932 155 3HG2 ILE 18 3HG2 ILE 18 -0.107 -6.596 12.945 156 1HD1 ILE 18 1HD1 ILE 18 3.338 -3.726 11.489 157 2HD1 ILE 18 2HD1 ILE 18 4.303 -3.800 12.963 158 3HD1 ILE 18 3HD1 ILE 18 2.558 -3.565 13.063 159 H ASP 19 H ASP 19 0.577 -6.059 9.407 160 HA ASP 19 HA ASP 19 -1.394 -8.114 8.985 161 1HB ASP 19 2HB ASP 19 -1.988 -5.728 10.635 162 2HB ASP 19 1HB ASP 19 -3.196 -6.158 9.427 163 H GLY 20 H GLY 20 -0.329 -7.859 6.899 164 1HA GLY 20 2HA GLY 20 -0.303 -7.161 4.721 165 2HA GLY 20 1HA GLY 20 -1.885 -6.477 5.051 166 H ASP 21 H ASP 21 -1.948 -4.304 5.974 167 HA ASP 21 HA ASP 21 -0.075 -2.589 4.620 168 1HB ASP 21 2HB ASP 21 -2.597 -2.163 6.184 169 2HB ASP 21 1HB ASP 21 -1.546 -0.795 5.825 170 H THR 22 H THR 22 -0.465 -3.850 7.800 171 HA THR 22 HA THR 22 1.321 -1.826 8.918 172 HB THR 22 HB THR 22 0.069 -4.084 10.460 173 HG1 THR 22 1HG THR 22 -1.114 -1.568 9.903 174 1HG2 THR 22 1HG2 THR 22 0.455 -1.309 11.464 175 2HG2 THR 22 2HG2 THR 22 1.824 -2.419 11.409 176 3HG2 THR 22 3HG2 THR 22 0.391 -2.833 12.351 177 H VAL 23 H VAL 23 3.430 -2.222 8.797 178 HA VAL 23 HA VAL 23 4.411 -4.890 9.449 179 HB VAL 23 HB VAL 23 5.930 -4.951 7.516 180 1HG1 VAL 23 1HG1 VAL 23 3.418 -5.795 7.577 181 2HG1 VAL 23 2HG1 VAL 23 4.419 -5.949 6.134 182 3HG1 VAL 23 3HG1 VAL 23 3.258 -4.627 6.265 183 1HG2 VAL 23 1HG2 VAL 23 5.909 -2.457 7.175 184 2HG2 VAL 23 2HG2 VAL 23 4.345 -2.656 6.383 185 3HG2 VAL 23 3HG2 VAL 23 5.781 -3.423 5.705 186 H LYS 24 H LYS 24 6.504 -4.943 10.249 187 HA LYS 24 HA LYS 24 7.502 -2.380 11.187 188 1HB LYS 24 2HB LYS 24 7.686 -5.162 12.050 189 2HB LYS 24 1HB LYS 24 9.236 -4.334 12.120 190 1HG LYS 24 2HG LYS 24 6.886 -2.932 13.255 191 2HG LYS 24 1HG LYS 24 7.524 -4.319 14.140 192 1HD LYS 24 2HD LYS 24 9.691 -3.308 14.290 193 2HD LYS 24 1HD LYS 24 9.209 -1.998 13.210 194 1HE LYS 24 2HE LYS 24 8.808 -0.867 15.104 195 2HE LYS 24 1HE LYS 24 7.321 -1.812 15.158 196 1HZ LYS 24 1HZ LYS 24 9.800 -2.843 16.379 197 2HZ LYS 24 2HZ LYS 24 8.196 -3.252 16.725 198 3HZ LYS 24 3HZ LYS 24 8.812 -1.757 17.222 199 H LEU 25 H LEU 25 8.726 -1.302 9.772 200 HA LEU 25 HA LEU 25 10.750 -2.801 8.248 201 1HB LEU 25 2HB LEU 25 8.791 -1.156 7.287 202 2HB LEU 25 1HB LEU 25 10.149 -0.053 7.402 203 HG LEU 25 HG LEU 25 10.845 -2.594 6.135 204 1HD1 LEU 25 1HD1 LEU 25 9.605 -1.375 4.008 205 2HD1 LEU 25 2HD1 LEU 25 8.419 -1.220 5.303 206 3HD1 LEU 25 3HD1 LEU 25 9.033 -2.812 4.857 207 1HD2 LEU 25 1HD2 LEU 25 11.687 0.095 6.149 208 2HD2 LEU 25 2HD2 LEU 25 11.183 -0.273 4.499 209 3HD2 LEU 25 3HD2 LEU 25 12.407 -1.266 5.289 210 H MET 26 H MET 26 12.853 -2.263 8.407 211 HA MET 26 HA MET 26 13.670 -0.589 10.582 212 1HB MET 26 2HB MET 26 14.808 -2.732 9.781 213 2HB MET 26 1HB MET 26 15.471 -1.766 8.470 214 1HG MET 26 2HG MET 26 16.911 -0.659 9.822 215 2HG MET 26 1HG MET 26 15.839 -0.741 11.219 216 1HE MET 26 1HE MET 26 18.322 -2.766 13.130 217 2HE MET 26 2HE MET 26 16.940 -1.674 13.172 218 3HE MET 26 3HE MET 26 18.437 -1.171 12.388 219 H TYR 27 H TYR 27 13.289 1.529 10.262 220 HA TYR 27 HA TYR 27 14.144 2.772 7.754 221 1HB TYR 27 2HB TYR 27 11.859 3.242 8.563 222 2HB TYR 27 1HB TYR 27 12.528 3.916 10.044 223 HD1 TYR 27 2HD TYR 27 14.096 4.495 6.772 224 HD2 TYR 27 1HD TYR 27 11.482 6.068 9.737 225 HE1 TYR 27 2HE TYR 27 14.224 6.702 5.706 226 HE2 TYR 27 1HE TYR 27 11.600 8.281 8.674 227 HH TYR 27 HH TYR 27 13.037 9.544 7.205 228 H LYS 28 H LYS 28 15.822 4.126 7.622 229 HA LYS 28 HA LYS 28 17.880 4.938 8.169 230 1HB LYS 28 2HB LYS 28 17.789 6.900 9.474 231 2HB LYS 28 1HB LYS 28 16.217 6.757 8.706 232 1HG LYS 28 2HG LYS 28 16.164 5.461 11.262 233 2HG LYS 28 1HG LYS 28 16.786 7.102 11.427 234 1HD LYS 28 2HD LYS 28 14.837 8.064 10.635 235 2HD LYS 28 1HD LYS 28 14.343 6.601 9.782 236 1HE LYS 28 2HE LYS 28 13.504 5.614 11.680 237 2HE LYS 28 1HE LYS 28 14.560 6.534 12.752 238 1HZ LYS 28 1HZ LYS 28 12.000 7.069 12.500 239 2HZ LYS 28 2HZ LYS 28 12.568 8.031 11.230 240 3HZ LYS 28 3HZ LYS 28 13.141 8.281 12.802 241 H GLY 29 H GLY 29 17.312 2.382 9.466 242 1HA GLY 29 2HA GLY 29 18.830 1.108 10.735 243 2HA GLY 29 1HA GLY 29 19.398 2.583 11.496 244 H GLN 30 H GLN 30 15.974 2.129 11.389 245 HA GLN 30 HA GLN 30 15.971 0.936 14.059 246 1HB GLN 30 2HB GLN 30 14.512 2.620 14.987 247 2HB GLN 30 1HB GLN 30 15.968 3.390 14.375 248 1HG GLN 30 2HG GLN 30 14.865 4.439 12.667 249 2HG GLN 30 1HG GLN 30 13.576 3.239 12.614 250 1HE2 GLN 30 1HE2 GLN 30 14.946 5.686 14.781 251 2HE2 GLN 30 2HE2 GLN 30 13.431 6.232 15.404 252 H ALA 31 H ALA 31 14.341 -0.447 14.407 253 HA ALA 31 HA ALA 31 12.607 -1.087 12.202 254 1HB ALA 31 1HB ALA 31 11.756 -2.833 13.893 255 2HB ALA 31 2HB ALA 31 13.105 -2.299 14.896 256 3HB ALA 31 3HB ALA 31 13.411 -2.976 13.297 257 H MET 32 H MET 32 11.049 0.433 11.902 258 HA MET 32 HA MET 32 9.297 1.031 14.195 259 1HB MET 32 2HB MET 32 8.694 3.103 13.076 260 2HB MET 32 1HB MET 32 10.439 3.006 13.265 261 1HG MET 32 2HG MET 32 10.799 2.668 11.007 262 2HG MET 32 1HG MET 32 9.150 2.113 10.725 263 1HE MET 32 1HE MET 32 11.109 5.064 12.182 264 2HE MET 32 2HE MET 32 9.556 5.440 12.928 265 3HE MET 32 3HE MET 32 10.205 6.489 11.669 266 H THR 33 H THR 33 7.028 1.119 13.827 267 HA THR 33 HA THR 33 6.124 -0.890 11.973 268 HB THR 33 HB THR 33 4.354 0.860 13.666 269 HG1 THR 33 1HG THR 33 4.683 -0.634 15.337 270 1HG2 THR 33 1HG2 THR 33 3.881 -1.400 12.034 271 2HG2 THR 33 2HG2 THR 33 2.745 -0.518 13.056 272 3HG2 THR 33 3HG2 THR 33 3.651 -1.880 13.715 273 H PHE 34 H PHE 34 5.767 -0.436 9.908 274 HA PHE 34 HA PHE 34 4.984 2.271 9.132 275 1HB PHE 34 2HB PHE 34 6.243 -0.043 7.744 276 2HB PHE 34 1HB PHE 34 5.273 1.059 6.773 277 HD1 PHE 34 2HD PHE 34 8.219 0.810 8.973 278 HD2 PHE 34 1HD PHE 34 6.067 3.206 6.191 279 HE1 PHE 34 2HE PHE 34 10.127 2.355 8.833 280 HE2 PHE 34 1HE PHE 34 7.972 4.755 6.045 281 HZ PHE 34 HZ PHE 34 10.006 4.331 7.368 282 H ARG 35 H ARG 35 3.201 2.661 7.744 283 HA ARG 35 HA ARG 35 1.220 0.502 7.593 284 1HB ARG 35 2HB ARG 35 0.997 3.057 9.021 285 2HB ARG 35 1HB ARG 35 -0.355 2.712 7.951 286 1HG ARG 35 2HG ARG 35 0.521 0.506 9.702 287 2HG ARG 35 1HG ARG 35 -0.238 1.891 10.491 288 1HD ARG 35 2HD ARG 35 -1.993 1.595 8.544 289 2HD ARG 35 1HD ARG 35 -1.377 -0.057 8.551 290 HE ARG 35 HE ARG 35 -1.912 0.396 11.156 291 1HH1 ARG 35 1HH1 ARG 35 -3.796 0.799 8.247 292 2HH1 ARG 35 2HH1 ARG 35 -5.309 0.500 9.036 293 1HH2 ARG 35 1HH2 ARG 35 -3.900 0.002 12.195 294 2HH2 ARG 35 2HH2 ARG 35 -5.368 0.048 11.278 295 H LEU 36 H LEU 36 0.588 0.204 5.562 296 HA LEU 36 HA LEU 36 1.361 1.801 3.414 297 1HB LEU 36 2HB LEU 36 -0.090 -0.600 3.813 298 2HB LEU 36 1HB LEU 36 -1.054 0.417 2.762 299 HG LEU 36 HG LEU 36 1.799 -0.438 2.269 300 1HD1 LEU 36 1HD1 LEU 36 -0.784 -1.229 0.931 301 2HD1 LEU 36 2HD1 LEU 36 0.217 -2.252 1.962 302 3HD1 LEU 36 3HD1 LEU 36 0.830 -1.701 0.403 303 1HD2 LEU 36 1HD2 LEU 36 1.760 0.766 0.267 304 2HD2 LEU 36 2HD2 LEU 36 1.065 1.874 1.449 305 3HD2 LEU 36 3HD2 LEU 36 0.014 1.001 0.335 306 H LEU 37 H LEU 37 0.765 3.803 2.959 307 HA LEU 37 HA LEU 37 -1.621 4.963 4.042 308 1HB LEU 37 2HB LEU 37 0.831 5.910 3.127 309 2HB LEU 37 1HB LEU 37 -0.330 6.536 1.973 310 HG LEU 37 HG LEU 37 -0.610 6.898 4.954 311 1HD1 LEU 37 1HD1 LEU 37 1.463 7.932 3.713 312 2HD1 LEU 37 2HD1 LEU 37 0.535 8.875 4.880 313 3HD1 LEU 37 3HD1 LEU 37 0.264 9.097 3.151 314 1HD2 LEU 37 1HD2 LEU 37 -2.070 8.803 4.147 315 2HD2 LEU 37 2HD2 LEU 37 -2.700 7.175 3.893 316 3HD2 LEU 37 3HD2 LEU 37 -1.985 8.064 2.548 317 H LEU 38 H LEU 38 -3.480 5.549 3.030 318 HA LEU 38 HA LEU 38 -5.190 5.466 1.536 319 1HB LEU 38 2HB LEU 38 -2.826 5.897 -0.257 320 2HB LEU 38 1HB LEU 38 -4.436 5.721 -0.925 321 HG LEU 38 HG LEU 38 -3.504 7.869 0.978 322 1HD1 LEU 38 1HD1 LEU 38 -4.216 9.315 -0.980 323 2HD1 LEU 38 2HD1 LEU 38 -4.233 7.833 -1.936 324 3HD1 LEU 38 3HD1 LEU 38 -2.734 8.381 -1.184 325 1HD2 LEU 38 1HD2 LEU 38 -5.657 7.759 1.667 326 2HD2 LEU 38 2HD2 LEU 38 -6.203 6.952 0.196 327 3HD2 LEU 38 3HD2 LEU 38 -5.928 8.693 0.196 328 H VAL 39 H VAL 39 -3.898 2.937 2.369 329 HA VAL 39 HA VAL 39 -5.041 1.260 0.253 330 HB VAL 39 HB VAL 39 -2.402 0.594 1.549 331 1HG1 VAL 39 1HG1 VAL 39 -3.203 -1.433 0.897 332 2HG1 VAL 39 2HG1 VAL 39 -2.456 -0.925 -0.617 333 3HG1 VAL 39 3HG1 VAL 39 -4.197 -0.751 -0.391 334 1HG2 VAL 39 1HG2 VAL 39 -1.566 2.175 0.189 335 2HG2 VAL 39 2HG2 VAL 39 -3.021 2.229 -0.808 336 3HG2 VAL 39 3HG2 VAL 39 -1.817 0.968 -1.072 337 H ASP 40 H ASP 40 -5.816 -0.766 0.962 338 HA ASP 40 HA ASP 40 -5.879 -1.139 3.880 339 1HB ASP 40 2HB ASP 40 -8.049 -0.312 2.414 340 2HB ASP 40 1HB ASP 40 -8.279 -2.057 2.460 341 H THR 41 H THR 41 -4.734 -2.928 4.234 342 HA THR 41 HA THR 41 -5.202 -5.247 2.478 343 HB THR 41 HB THR 41 -2.698 -4.768 4.090 344 HG1 THR 41 1HG THR 41 -3.339 -3.957 1.464 345 1HG2 THR 41 1HG2 THR 41 -2.854 -7.036 3.425 346 2HG2 THR 41 2HG2 THR 41 -1.704 -6.251 2.344 347 3HG2 THR 41 3HG2 THR 41 -3.344 -6.589 1.792 348 H ALA 42 H ALA 42 -6.930 -5.967 3.773 349 HA ALA 42 HA ALA 42 -7.826 -7.378 5.325 350 1HB ALA 42 1HB ALA 42 -5.355 -8.341 5.130 351 2HB ALA 42 2HB ALA 42 -6.510 -8.942 6.319 352 3HB ALA 42 3HB ALA 42 -5.283 -7.771 6.797 353 H GLU 43 H GLU 43 -8.583 -5.080 5.896 354 HA GLU 43 HA GLU 43 -7.627 -4.243 8.535 355 1HB GLU 43 2HB GLU 43 -7.927 -2.599 6.614 356 2HB GLU 43 1HB GLU 43 -9.659 -2.828 6.813 357 1HG GLU 43 2HG GLU 43 -9.231 -0.914 8.034 358 2HG GLU 43 1HG GLU 43 -9.252 -2.178 9.265 359 H THR 44 H THR 44 -9.076 -6.660 8.383 360 HA THR 44 HA THR 44 -11.815 -6.193 9.097 361 HB THR 44 HB THR 44 -11.965 -8.564 9.420 362 HG1 THR 44 1HG THR 44 -10.339 -9.717 10.061 363 1HG2 THR 44 1HG2 THR 44 -11.069 -9.493 7.378 364 2HG2 THR 44 2HG2 THR 44 -10.006 -8.099 7.185 365 3HG2 THR 44 3HG2 THR 44 -11.756 -7.897 7.075 366 H LYS 45 H LYS 45 -11.888 -4.873 10.889 367 HA LYS 45 HA LYS 45 -10.489 -5.744 13.307 368 1HB LYS 45 2HB LYS 45 -11.111 -3.570 14.231 369 2HB LYS 45 1HB LYS 45 -10.295 -3.384 12.685 370 1HG LYS 45 2HG LYS 45 -11.978 -2.002 12.197 371 2HG LYS 45 1HG LYS 45 -12.900 -3.478 11.911 372 1HD LYS 45 2HD LYS 45 -14.310 -2.870 13.520 373 2HD LYS 45 1HD LYS 45 -12.992 -2.993 14.687 374 1HE LYS 45 2HE LYS 45 -12.365 -0.662 14.178 375 2HE LYS 45 1HE LYS 45 -13.738 -0.553 13.078 376 1HZ LYS 45 1HZ LYS 45 -15.237 -0.869 14.895 377 2HZ LYS 45 2HZ LYS 45 -14.174 0.381 15.305 378 3HZ LYS 45 3HZ LYS 45 -13.967 -1.158 15.975 379 H HIS 46 H HIS 46 -12.915 -7.066 12.127 380 HA HIS 46 HA HIS 46 -14.710 -6.774 14.444 381 1HB HIS 46 2HB HIS 46 -15.244 -7.208 11.547 382 2HB HIS 46 1HB HIS 46 -16.318 -7.994 12.699 383 HD1 HIS 46 1HD HIS 46 -17.438 -6.273 14.503 384 HD2 HIS 46 2HD HIS 46 -15.881 -4.623 11.022 385 HE1 HIS 46 1HE HIS 46 -18.479 -3.992 14.317 386 HE2 HIS 46 2HE HIS 46 -17.451 -2.977 12.253 387 H THR 47 H THR 47 -12.809 -8.951 12.527 388 HA THR 47 HA THR 47 -12.146 -11.098 12.880 389 HB THR 47 HB THR 47 -13.654 -11.396 15.421 390 HG1 THR 47 1HG THR 47 -12.985 -9.545 16.122 391 1HG2 THR 47 1HG2 THR 47 -10.783 -11.694 15.521 392 2HG2 THR 47 2HG2 THR 47 -11.510 -12.689 14.259 393 3HG2 THR 47 3HG2 THR 47 -12.058 -12.844 15.928 394 H LYS 48 H LYS 48 -13.931 -11.110 11.104 395 HA LYS 48 HA LYS 48 -16.378 -12.448 11.802 396 1HB LYS 48 2HB LYS 48 -15.875 -10.817 9.815 397 2HB LYS 48 1HB LYS 48 -15.333 -12.277 8.999 398 1HG LYS 48 2HG LYS 48 -17.524 -13.289 9.333 399 2HG LYS 48 1HG LYS 48 -18.071 -11.838 10.175 400 1HD LYS 48 2HD LYS 48 -17.112 -11.926 7.315 401 2HD LYS 48 1HD LYS 48 -18.803 -11.912 7.816 402 1HE LYS 48 2HE LYS 48 -17.884 -9.770 9.169 403 2HE LYS 48 1HE LYS 48 -16.817 -9.732 7.767 404 1HZ LYS 48 1HZ LYS 48 -19.771 -9.897 7.565 405 2HZ LYS 48 2HZ LYS 48 -18.670 -9.599 6.315 406 3HZ LYS 48 3HZ LYS 48 -18.913 -8.439 7.522 407 H LYS 49 H LYS 49 -13.371 -13.340 10.152 408 HA LYS 49 HA LYS 49 -13.321 -15.962 11.116 409 1HB LYS 49 2HB LYS 49 -13.783 -17.128 8.893 410 2HB LYS 49 1HB LYS 49 -15.178 -16.550 9.793 411 1HG LYS 49 2HG LYS 49 -15.838 -15.521 7.947 412 2HG LYS 49 1HG LYS 49 -14.469 -14.425 8.141 413 1HD LYS 49 2HD LYS 49 -14.225 -15.245 5.968 414 2HD LYS 49 1HD LYS 49 -13.112 -16.232 6.916 415 1HE LYS 49 2HE LYS 49 -14.297 -18.117 6.583 416 2HE LYS 49 1HE LYS 49 -15.847 -17.286 6.715 417 1HZ LYS 49 1HZ LYS 49 -15.873 -17.804 4.520 418 2HZ LYS 49 2HZ LYS 49 -14.191 -17.768 4.356 419 3HZ LYS 49 3HZ LYS 49 -15.066 -16.321 4.408 420 H GLY 50 H GLY 50 -12.487 -13.783 8.480 421 1HA GLY 50 2HA GLY 50 -10.054 -13.285 8.350 422 2HA GLY 50 1HA GLY 50 -9.805 -15.022 8.417 423 H VAL 51 H VAL 51 -12.507 -13.982 6.570 424 HA VAL 51 HA VAL 51 -11.022 -13.791 4.086 425 HB VAL 51 HB VAL 51 -13.097 -15.960 4.381 426 1HG1 VAL 51 1HG1 VAL 51 -13.105 -15.725 2.153 427 2HG1 VAL 51 2HG1 VAL 51 -11.547 -16.551 2.210 428 3HG1 VAL 51 3HG1 VAL 51 -11.611 -14.789 2.151 429 1HG2 VAL 51 1HG2 VAL 51 -11.154 -17.527 4.184 430 2HG2 VAL 51 2HG2 VAL 51 -11.236 -16.646 5.708 431 3HG2 VAL 51 3HG2 VAL 51 -10.091 -16.148 4.463 432 H GLU 52 H GLU 52 -12.800 -12.084 5.655 433 HA GLU 52 HA GLU 52 -15.339 -11.985 4.339 434 1HB GLU 52 2HB GLU 52 -15.687 -9.922 5.578 435 2HB GLU 52 1HB GLU 52 -15.024 -11.160 6.636 436 1HG GLU 52 2HG GLU 52 -13.163 -9.992 7.042 437 2HG GLU 52 1HG GLU 52 -13.006 -9.469 5.365 438 H LYS 53 H LYS 53 -12.198 -10.680 3.717 439 HA LYS 53 HA LYS 53 -13.082 -9.635 1.185 440 1HB LYS 53 2HB LYS 53 -13.242 -7.852 3.207 441 2HB LYS 53 1HB LYS 53 -11.566 -7.612 2.728 442 1HG LYS 53 2HG LYS 53 -13.095 -6.061 1.607 443 2HG LYS 53 1HG LYS 53 -12.244 -7.105 0.467 444 1HD LYS 53 2HD LYS 53 -14.191 -7.781 -0.364 445 2HD LYS 53 1HD LYS 53 -14.640 -8.422 1.218 446 1HE LYS 53 2HE LYS 53 -15.166 -5.668 0.119 447 2HE LYS 53 1HE LYS 53 -16.348 -6.900 0.557 448 1HZ LYS 53 1HZ LYS 53 -16.400 -5.512 2.368 449 2HZ LYS 53 2HZ LYS 53 -14.748 -5.161 2.306 450 3HZ LYS 53 3HZ LYS 53 -15.271 -6.661 2.885 451 H TYR 54 H TYR 54 -11.375 -11.729 1.788 452 HA TYR 54 HA TYR 54 -9.341 -12.594 1.256 453 1HB TYR 54 2HB TYR 54 -9.490 -10.134 -0.431 454 2HB TYR 54 1HB TYR 54 -7.960 -11.001 -0.344 455 HD1 TYR 54 1HD TYR 54 -11.436 -11.142 -1.491 456 HD2 TYR 54 2HD TYR 54 -7.725 -13.214 -1.312 457 HE1 TYR 54 1HE TYR 54 -12.242 -12.721 -3.194 458 HE2 TYR 54 2HE TYR 54 -8.521 -14.798 -3.014 459 HH TYR 54 HH TYR 54 -10.670 -14.406 -5.033 460 H GLY 55 H GLY 55 -9.681 -10.639 3.565 461 1HA GLY 55 2HA GLY 55 -7.379 -9.108 3.934 462 2HA GLY 55 1HA GLY 55 -8.348 -9.793 5.230 463 H ALA 56 H ALA 56 -7.909 -12.545 4.475 464 HA ALA 56 HA ALA 56 -5.612 -13.098 5.972 465 1HB ALA 56 1HB ALA 56 -7.419 -14.707 4.240 466 2HB ALA 56 2HB ALA 56 -7.063 -14.867 5.960 467 3HB ALA 56 3HB ALA 56 -5.892 -15.419 4.761 468 H GLU 57 H GLU 57 -6.092 -13.610 2.471 469 HA GLU 57 HA GLU 57 -3.393 -14.166 1.914 470 1HB GLU 57 2HB GLU 57 -5.399 -14.680 0.459 471 2HB GLU 57 1HB GLU 57 -5.387 -12.988 -0.019 472 1HG GLU 57 2HG GLU 57 -4.027 -13.588 -1.660 473 2HG GLU 57 1HG GLU 57 -2.783 -13.791 -0.428 474 H ALA 58 H ALA 58 -5.089 -11.186 2.359 475 HA ALA 58 HA ALA 58 -3.484 -9.417 0.917 476 1HB ALA 58 1HB ALA 58 -5.643 -9.207 2.648 477 2HB ALA 58 2HB ALA 58 -4.848 -7.887 1.791 478 3HB ALA 58 3HB ALA 58 -4.360 -8.289 3.438 479 H SER 59 H SER 59 -3.161 -10.602 4.242 480 HA SER 59 HA SER 59 -0.823 -9.084 4.819 481 1HB SER 59 2HB SER 59 -0.659 -10.467 6.830 482 2HB SER 59 1HB SER 59 -2.326 -9.947 6.583 483 HG SER 59 HG SER 59 -2.772 -11.998 5.715 484 H ALA 60 H ALA 60 -1.417 -12.302 3.542 485 HA ALA 60 HA ALA 60 1.233 -13.266 3.766 486 1HB ALA 60 1HB ALA 60 -1.243 -14.114 2.424 487 2HB ALA 60 2HB ALA 60 -0.080 -15.050 3.365 488 3HB ALA 60 3HB ALA 60 0.252 -14.674 1.673 489 H PHE 61 H PHE 61 -0.529 -11.748 1.078 490 HA PHE 61 HA PHE 61 1.509 -11.877 -0.830 491 1HB PHE 61 2HB PHE 61 -0.822 -11.300 -1.362 492 2HB PHE 61 1HB PHE 61 -0.638 -9.766 -0.520 493 HD1 PHE 61 2HD PHE 61 1.295 -8.235 -1.398 494 HD2 PHE 61 1HD PHE 61 -0.484 -11.387 -3.634 495 HE1 PHE 61 2HE PHE 61 2.076 -7.190 -3.482 496 HE2 PHE 61 1HE PHE 61 0.294 -10.347 -5.724 497 HZ PHE 61 HZ PHE 61 1.574 -8.244 -5.648 498 H THR 62 H THR 62 0.748 -9.356 1.544 499 HA THR 62 HA THR 62 2.895 -7.650 0.726 500 HB THR 62 HB THR 62 1.344 -7.635 3.324 501 HG1 THR 62 1HG THR 62 -0.138 -7.355 1.745 502 1HG2 THR 62 1HG2 THR 62 3.335 -5.819 2.162 503 2HG2 THR 62 2HG2 THR 62 2.850 -6.060 3.840 504 3HG2 THR 62 3HG2 THR 62 1.869 -5.053 2.774 505 H LYS 63 H LYS 63 2.419 -10.100 3.184 506 HA LYS 63 HA LYS 63 4.783 -9.642 4.653 507 1HB LYS 63 2HB LYS 63 2.984 -10.920 5.612 508 2HB LYS 63 1HB LYS 63 3.063 -12.100 4.314 509 1HG LYS 63 2HG LYS 63 5.594 -12.214 5.329 510 2HG LYS 63 1HG LYS 63 4.628 -11.895 6.770 511 1HD LYS 63 2HD LYS 63 3.129 -13.795 5.524 512 2HD LYS 63 1HD LYS 63 4.764 -14.289 5.076 513 1HE LYS 63 2HE LYS 63 4.399 -15.419 7.073 514 2HE LYS 63 1HE LYS 63 5.304 -13.992 7.578 515 1HZ LYS 63 1HZ LYS 63 3.249 -12.945 8.244 516 2HZ LYS 63 2HZ LYS 63 3.400 -14.441 9.019 517 3HZ LYS 63 3HZ LYS 63 2.349 -14.272 7.704 518 H LYS 64 H LYS 64 4.038 -11.982 2.069 519 HA LYS 64 HA LYS 64 6.653 -13.068 1.969 520 1HB LYS 64 2HB LYS 64 5.923 -14.045 -0.195 521 2HB LYS 64 1HB LYS 64 4.800 -14.347 1.121 522 1HG LYS 64 2HG LYS 64 3.178 -13.560 -0.155 523 2HG LYS 64 1HG LYS 64 3.935 -11.970 -0.070 524 1HD LYS 64 2HD LYS 64 4.739 -12.104 -2.170 525 2HD LYS 64 1HD LYS 64 5.142 -13.815 -2.013 526 1HE LYS 64 2HE LYS 64 3.402 -14.207 -3.351 527 2HE LYS 64 1HE LYS 64 2.385 -13.804 -1.968 528 1HZ LYS 64 1HZ LYS 64 1.662 -12.494 -3.783 529 2HZ LYS 64 2HZ LYS 64 3.235 -12.005 -4.166 530 3HZ LYS 64 3HZ LYS 64 2.499 -11.448 -2.749 531 H MET 65 H MET 65 5.070 -10.432 0.250 532 HA MET 65 HA MET 65 7.177 -10.034 -1.631 533 1HB MET 65 2HB MET 65 4.727 -9.268 -1.801 534 2HB MET 65 1HB MET 65 5.208 -7.924 -0.774 535 1HG MET 65 2HG MET 65 6.338 -6.890 -2.420 536 2HG MET 65 1HG MET 65 6.900 -8.400 -3.133 537 1HE MET 65 1HE MET 65 5.717 -8.374 -6.103 538 2HE MET 65 2HE MET 65 4.626 -9.610 -5.476 539 3HE MET 65 3HE MET 65 6.248 -9.443 -4.804 540 H VAL 66 H VAL 66 6.439 -8.815 1.562 541 HA VAL 66 HA VAL 66 8.611 -6.882 1.476 542 HB VAL 66 HB VAL 66 6.346 -6.529 2.642 543 1HG1 VAL 66 1HG1 VAL 66 6.307 -8.643 3.878 544 2HG1 VAL 66 2HG1 VAL 66 6.197 -7.254 4.958 545 3HG1 VAL 66 3HG1 VAL 66 7.719 -8.128 4.798 546 1HG2 VAL 66 1HG2 VAL 66 9.051 -5.811 3.576 547 2HG2 VAL 66 2HG2 VAL 66 7.720 -5.478 4.685 548 3HG2 VAL 66 3HG2 VAL 66 7.713 -4.783 3.065 549 H GLU 67 H GLU 67 8.058 -10.125 2.509 550 HA GLU 67 HA GLU 67 10.320 -10.171 4.323 551 1HB GLU 67 2HB GLU 67 8.346 -12.239 3.385 552 2HB GLU 67 1HB GLU 67 9.783 -12.696 4.290 553 1HG GLU 67 2HG GLU 67 7.918 -10.608 5.339 554 2HG GLU 67 1HG GLU 67 7.571 -12.324 5.551 555 H ASN 68 H ASN 68 9.555 -11.048 1.029 556 HA ASN 68 HA ASN 68 12.067 -12.435 0.628 557 1HB ASN 68 2HB ASN 68 9.715 -12.833 -0.534 558 2HB ASN 68 1HB ASN 68 10.318 -11.611 -1.650 559 1HD2 ASN 68 1HD2 ASN 68 12.759 -12.069 -2.196 560 2HD2 ASN 68 2HD2 ASN 68 13.069 -13.683 -2.727 561 H ALA 69 H ALA 69 10.576 -9.350 -0.141 562 HA ALA 69 HA ALA 69 12.609 -8.370 -1.838 563 1HB ALA 69 1HB ALA 69 10.691 -6.811 -0.106 564 2HB ALA 69 2HB ALA 69 10.354 -7.396 -1.736 565 3HB ALA 69 3HB ALA 69 11.608 -6.184 -1.477 566 H LYS 70 H LYS 70 14.529 -8.959 -0.780 567 HA LYS 70 HA LYS 70 15.380 -8.481 1.755 568 1HB LYS 70 2HB LYS 70 17.103 -7.992 -0.673 569 2HB LYS 70 1HB LYS 70 17.633 -8.498 0.927 570 1HG LYS 70 2HG LYS 70 15.695 -10.359 -0.035 571 2HG LYS 70 1HG LYS 70 16.928 -10.113 -1.275 572 1HD LYS 70 2HD LYS 70 17.425 -10.865 1.606 573 2HD LYS 70 1HD LYS 70 17.544 -11.944 0.215 574 1HE LYS 70 2HE LYS 70 19.689 -11.373 0.068 575 2HE LYS 70 1HE LYS 70 19.156 -9.767 -0.432 576 1HZ LYS 70 1HZ LYS 70 19.476 -8.913 1.658 577 2HZ LYS 70 2HZ LYS 70 20.732 -10.044 1.592 578 3HZ LYS 70 3HZ LYS 70 19.310 -10.408 2.433 579 H LYS 71 H LYS 71 14.889 -6.116 -0.757 580 HA LYS 71 HA LYS 71 15.739 -4.017 1.129 581 1HB LYS 71 2HB LYS 71 17.272 -4.025 -0.731 582 2HB LYS 71 1HB LYS 71 15.949 -4.079 -1.886 583 1HG LYS 71 2HG LYS 71 15.900 -1.781 -0.061 584 2HG LYS 71 1HG LYS 71 17.274 -1.835 -1.167 585 1HD LYS 71 2HD LYS 71 15.099 -2.500 -2.755 586 2HD LYS 71 1HD LYS 71 14.485 -1.229 -1.696 587 1HE LYS 71 2HE LYS 71 15.352 0.072 -3.350 588 2HE LYS 71 1HE LYS 71 16.791 -0.094 -2.346 589 1HZ LYS 71 1HZ LYS 71 16.186 -1.296 -4.944 590 2HZ LYS 71 2HZ LYS 71 17.131 -2.193 -3.866 591 3HZ LYS 71 3HZ LYS 71 17.641 -0.659 -4.361 592 H ILE 72 H ILE 72 14.074 -2.876 1.861 593 HA ILE 72 HA ILE 72 11.748 -2.533 0.097 594 HB ILE 72 HB ILE 72 11.520 -2.600 3.093 595 1HG1 ILE 72 2HG1 ILE 72 10.572 -4.957 2.637 596 2HG1 ILE 72 1HG1 ILE 72 11.451 -4.872 1.114 597 1HG2 ILE 72 1HG2 ILE 72 9.745 -1.576 1.595 598 2HG2 ILE 72 2HG2 ILE 72 9.206 -2.836 2.706 599 3HG2 ILE 72 3HG2 ILE 72 9.452 -3.211 1.001 600 1HD1 ILE 72 1HD1 ILE 72 13.472 -5.070 2.114 601 2HD1 ILE 72 2HD1 ILE 72 12.489 -5.946 3.284 602 3HD1 ILE 72 3HD1 ILE 72 12.945 -4.271 3.593 603 H GLU 73 H GLU 73 11.041 -0.522 -0.241 604 HA GLU 73 HA GLU 73 12.232 1.628 1.376 605 1HB GLU 73 2HB GLU 73 11.263 2.031 -1.433 606 2HB GLU 73 1HB GLU 73 12.404 2.997 -0.508 607 1HG GLU 73 2HG GLU 73 13.479 0.389 -0.742 608 2HG GLU 73 1HG GLU 73 12.926 0.894 -2.337 609 H VAL 74 H VAL 74 10.943 3.610 1.548 610 HA VAL 74 HA VAL 74 8.065 3.231 1.206 611 HB VAL 74 HB VAL 74 7.549 3.970 3.456 612 1HG1 VAL 74 1HG1 VAL 74 9.474 1.855 4.131 613 2HG1 VAL 74 2HG1 VAL 74 8.400 1.494 2.780 614 3HG1 VAL 74 3HG1 VAL 74 7.726 1.917 4.354 615 1HG2 VAL 74 1HG2 VAL 74 10.405 4.590 3.516 616 2HG2 VAL 74 2HG2 VAL 74 9.831 3.764 4.965 617 3HG2 VAL 74 3HG2 VAL 74 9.075 5.273 4.453 618 H GLU 75 H GLU 75 6.915 5.102 0.864 619 HA GLU 75 HA GLU 75 8.493 7.588 0.767 620 1HB GLU 75 2HB GLU 75 8.015 6.761 -1.483 621 2HB GLU 75 1HB GLU 75 6.297 6.697 -1.111 622 1HG GLU 75 2HG GLU 75 6.372 9.166 -0.731 623 2HG GLU 75 1HG GLU 75 8.026 9.145 -1.340 624 H PHE 76 H PHE 76 7.829 8.990 2.231 625 HA PHE 76 HA PHE 76 5.153 8.809 3.344 626 1HB PHE 76 2HB PHE 76 7.619 10.377 4.065 627 2HB PHE 76 1HB PHE 76 6.060 10.735 4.801 628 HD1 PHE 76 2HD PHE 76 4.944 9.043 6.209 629 HD2 PHE 76 1HD PHE 76 8.882 8.475 4.703 630 HE1 PHE 76 2HE PHE 76 5.316 7.262 7.865 631 HE2 PHE 76 1HE PHE 76 9.262 6.693 6.355 632 HZ PHE 76 HZ PHE 76 7.478 6.085 7.941 633 H ASP 77 H ASP 77 3.514 10.169 2.939 634 HA ASP 77 HA ASP 77 3.807 12.077 0.798 635 1HB ASP 77 2HB ASP 77 1.556 10.843 2.282 636 2HB ASP 77 1HB ASP 77 1.266 12.445 1.611 637 H LYS 78 H LYS 78 2.375 14.191 1.210 638 HA LYS 78 HA LYS 78 3.836 15.668 3.207 639 1HB LYS 78 2HB LYS 78 2.123 16.296 0.895 640 2HB LYS 78 1HB LYS 78 2.005 17.438 2.227 641 1HG LYS 78 2HG LYS 78 3.695 18.381 1.024 642 2HG LYS 78 1HG LYS 78 4.625 17.352 2.114 643 1HD LYS 78 2HD LYS 78 4.849 15.665 0.415 644 2HD LYS 78 1HD LYS 78 3.764 16.546 -0.661 645 1HE LYS 78 2HE LYS 78 5.621 18.445 -0.168 646 2HE LYS 78 1HE LYS 78 6.613 16.992 -0.053 647 1HZ LYS 78 1HZ LYS 78 6.237 18.168 -2.333 648 2HZ LYS 78 2HZ LYS 78 4.794 17.285 -2.338 649 3HZ LYS 78 3HZ LYS 78 6.278 16.479 -2.241 650 H GLY 79 H GLY 79 0.747 14.152 2.963 651 1HA GLY 79 2HA GLY 79 -0.776 15.676 4.735 652 2HA GLY 79 1HA GLY 79 -0.987 13.955 4.452 653 H GLN 80 H GLN 80 -0.478 12.564 6.039 654 HA GLN 80 HA GLN 80 0.912 13.662 8.393 655 1HB GLN 80 2HB GLN 80 -1.431 13.217 8.871 656 2HB GLN 80 1HB GLN 80 -1.270 11.575 8.265 657 1HG GLN 80 2HG GLN 80 -0.133 10.852 10.116 658 2HG GLN 80 1HG GLN 80 0.473 12.460 10.507 659 1HE2 GLN 80 1HE2 GLN 80 -0.433 13.412 12.176 660 2HE2 GLN 80 2HE2 GLN 80 -2.006 13.083 12.810 661 H ARG 81 H ARG 81 2.236 12.215 9.614 662 HA ARG 81 HA ARG 81 3.393 10.080 7.957 663 1HB ARG 81 2HB ARG 81 4.675 12.183 9.047 664 2HB ARG 81 1HB ARG 81 4.824 11.036 10.370 665 1HG ARG 81 2HG ARG 81 5.815 9.411 8.783 666 2HG ARG 81 1HG ARG 81 5.771 10.662 7.539 667 1HD ARG 81 2HD ARG 81 7.121 11.144 10.171 668 2HD ARG 81 1HD ARG 81 7.956 10.304 8.865 669 HE ARG 81 HE ARG 81 6.830 12.724 7.924 670 1HH1 ARG 81 1HH1 ARG 81 9.464 11.502 9.861 671 2HH1 ARG 81 2HH1 ARG 81 10.496 12.853 9.534 672 1HH2 ARG 81 1HH2 ARG 81 8.187 14.501 7.493 673 2HH2 ARG 81 2HH2 ARG 81 9.772 14.556 8.191 674 H THR 82 H THR 82 1.858 10.772 10.988 675 HA THR 82 HA THR 82 1.743 7.912 11.567 676 HB THR 82 HB THR 82 2.375 8.187 13.878 677 HG1 THR 82 1HG THR 82 2.046 10.072 14.710 678 1HG2 THR 82 1HG2 THR 82 4.352 9.522 12.051 679 2HG2 THR 82 2HG2 THR 82 4.284 7.820 12.505 680 3HG2 THR 82 3HG2 THR 82 4.702 9.038 13.710 681 H ASP 83 H ASP 83 -0.370 7.504 11.610 682 HA ASP 83 HA ASP 83 -2.316 9.521 12.179 683 1HB ASP 83 2HB ASP 83 -2.586 7.569 10.573 684 2HB ASP 83 1HB ASP 83 -2.823 6.554 11.992 685 H LYS 84 H LYS 84 -1.046 9.761 14.377 686 HA LYS 84 HA LYS 84 -0.982 9.529 16.651 687 1HB LYS 84 2HB LYS 84 -3.923 9.109 16.111 688 2HB LYS 84 1HB LYS 84 -3.242 9.442 17.698 689 1HG LYS 84 2HG LYS 84 -2.938 11.277 15.334 690 2HG LYS 84 1HG LYS 84 -4.225 11.417 16.534 691 1HD LYS 84 2HD LYS 84 -1.490 11.231 17.616 692 2HD LYS 84 1HD LYS 84 -1.850 12.698 16.703 693 1HE LYS 84 2HE LYS 84 -3.956 12.863 18.137 694 2HE LYS 84 1HE LYS 84 -3.204 11.648 19.170 695 1HZ LYS 84 1HZ LYS 84 -2.871 14.150 19.673 696 2HZ LYS 84 2HZ LYS 84 -1.705 14.074 18.452 697 3HZ LYS 84 3HZ LYS 84 -1.560 13.091 19.821 698 H TYR 85 H TYR 85 -0.527 7.050 15.135 699 HA TYR 85 HA TYR 85 -1.141 5.172 17.305 700 1HB TYR 85 2HB TYR 85 -1.423 4.550 14.358 701 2HB TYR 85 1HB TYR 85 -1.614 3.394 15.672 702 HD1 TYR 85 2HD TYR 85 -3.182 5.044 17.596 703 HD2 TYR 85 1HD TYR 85 -3.547 4.596 13.381 704 HE1 TYR 85 2HE TYR 85 -5.570 5.612 17.749 705 HE2 TYR 85 1HE TYR 85 -5.936 5.164 13.521 706 HH TYR 85 HH TYR 85 -7.478 6.297 14.983 707 H GLY 86 H GLY 86 1.262 6.741 16.224 708 1HA GLY 86 2HA GLY 86 3.514 6.401 15.958 709 2HA GLY 86 1HA GLY 86 3.261 4.938 16.897 710 H ARG 87 H ARG 87 1.588 5.292 13.887 711 HA ARG 87 HA ARG 87 3.337 3.232 12.732 712 1HB ARG 87 2HB ARG 87 0.421 3.773 12.578 713 2HB ARG 87 1HB ARG 87 1.190 3.144 11.125 714 1HG ARG 87 2HG ARG 87 0.682 1.166 12.070 715 2HG ARG 87 1HG ARG 87 2.199 1.439 12.929 716 1HD ARG 87 2HD ARG 87 1.168 1.746 14.901 717 2HD ARG 87 1HD ARG 87 -0.147 2.675 14.181 718 HE ARG 87 HE ARG 87 -0.610 0.104 13.389 719 1HH1 ARG 87 1HH1 ARG 87 -0.191 1.693 16.467 720 2HH1 ARG 87 2HH1 ARG 87 -1.210 0.582 17.320 721 1HH2 ARG 87 1HH2 ARG 87 -1.950 -1.358 14.509 722 2HH2 ARG 87 2HH2 ARG 87 -2.208 -1.151 16.210 723 H GLY 88 H GLY 88 4.675 3.855 11.189 724 1HA GLY 88 2HA GLY 88 4.688 6.443 10.076 725 2HA GLY 88 1HA GLY 88 5.643 5.081 9.510 726 H LEU 89 H LEU 89 2.686 6.885 9.117 727 HA LEU 89 HA LEU 89 1.457 5.259 7.171 728 1HB LEU 89 2HB LEU 89 1.227 8.122 7.985 729 2HB LEU 89 1HB LEU 89 0.466 7.608 6.492 730 HG LEU 89 HG LEU 89 -0.104 6.515 9.248 731 1HD1 LEU 89 1HD1 LEU 89 -1.192 8.545 9.190 732 2HD1 LEU 89 2HD1 LEU 89 -2.424 7.459 8.547 733 3HD1 LEU 89 3HD1 LEU 89 -1.476 8.466 7.451 734 1HD2 LEU 89 1HD2 LEU 89 -0.749 5.545 6.541 735 2HD2 LEU 89 2HD2 LEU 89 -2.092 5.588 7.683 736 3HD2 LEU 89 3HD2 LEU 89 -0.636 4.670 8.067 737 H ALA 90 H ALA 90 2.210 4.750 5.226 738 HA ALA 90 HA ALA 90 2.950 6.596 3.271 739 1HB ALA 90 1HB ALA 90 4.946 7.096 4.422 740 2HB ALA 90 2HB ALA 90 5.414 6.003 3.121 741 3HB ALA 90 3HB ALA 90 5.265 5.397 4.769 742 H TYR 91 H TYR 91 3.961 5.527 1.337 743 HA TYR 91 HA TYR 91 2.699 2.960 0.940 744 1HB TYR 91 2HB TYR 91 4.446 4.411 -1.045 745 2HB TYR 91 1HB TYR 91 3.164 3.250 -1.371 746 HD1 TYR 91 1HD TYR 91 0.937 4.241 0.217 747 HD2 TYR 91 2HD TYR 91 3.821 6.407 -2.040 748 HE1 TYR 91 1HE TYR 91 -0.667 6.085 -0.052 749 HE2 TYR 91 2HE TYR 91 2.225 8.257 -2.315 750 HH TYR 91 HH TYR 91 -0.228 8.848 -0.553 751 H ILE 92 H ILE 92 3.700 1.009 0.551 752 HA ILE 92 HA ILE 92 6.514 0.865 1.366 753 HB ILE 92 HB ILE 92 4.567 -1.421 1.065 754 1HG1 ILE 92 2HG1 ILE 92 3.804 0.247 2.750 755 2HG1 ILE 92 1HG1 ILE 92 4.209 -1.314 3.457 756 1HG2 ILE 92 1HG2 ILE 92 6.728 -1.720 2.974 757 2HG2 ILE 92 2HG2 ILE 92 7.320 -1.417 1.341 758 3HG2 ILE 92 3HG2 ILE 92 6.236 -2.773 1.649 759 1HD1 ILE 92 1HD1 ILE 92 5.066 1.113 4.358 760 2HD1 ILE 92 2HD1 ILE 92 6.444 0.554 3.411 761 3HD1 ILE 92 3HD1 ILE 92 5.816 -0.440 4.726 762 H TYR 93 H TYR 93 8.089 -0.038 0.100 763 HA TYR 93 HA TYR 93 7.302 -1.007 -2.561 764 1HB TYR 93 2HB TYR 93 9.646 0.830 -2.037 765 2HB TYR 93 1HB TYR 93 9.106 0.230 -3.602 766 HD1 TYR 93 2HD TYR 93 6.869 0.992 -4.486 767 HD2 TYR 93 1HD TYR 93 8.717 2.785 -1.099 768 HE1 TYR 93 2HE TYR 93 5.421 2.962 -4.746 769 HE2 TYR 93 1HE TYR 93 7.273 4.759 -1.349 770 HH TYR 93 HH TYR 93 5.678 5.545 -4.017 771 H ALA 94 H ALA 94 8.248 -2.858 -3.144 772 HA ALA 94 HA ALA 94 10.462 -3.855 -1.474 773 1HB ALA 94 1HB ALA 94 9.106 -5.599 -1.172 774 2HB ALA 94 2HB ALA 94 9.442 -6.029 -2.850 775 3HB ALA 94 3HB ALA 94 8.016 -5.071 -2.454 776 H ASP 95 H ASP 95 12.385 -4.045 -2.390 777 HA ASP 95 HA ASP 95 14.021 -3.840 -3.983 778 1HB ASP 95 2HB ASP 95 12.356 -5.979 -5.317 779 2HB ASP 95 1HB ASP 95 14.088 -5.722 -5.500 780 H GLY 96 H GLY 96 12.128 -1.840 -4.399 781 1HA GLY 96 2HA GLY 96 11.833 -0.218 -6.027 782 2HA GLY 96 1HA GLY 96 12.590 -1.293 -7.190 783 H LYS 97 H LYS 97 9.961 -2.571 -5.364 784 HA LYS 97 HA LYS 97 8.201 -2.241 -7.702 785 1HB LYS 97 2HB LYS 97 8.922 -4.555 -7.452 786 2HB LYS 97 1HB LYS 97 8.398 -4.563 -5.774 787 1HG LYS 97 2HG LYS 97 6.600 -5.570 -6.689 788 2HG LYS 97 1HG LYS 97 6.089 -3.895 -6.905 789 1HD LYS 97 2HD LYS 97 5.788 -4.519 -9.049 790 2HD LYS 97 1HD LYS 97 7.533 -4.281 -9.164 791 1HE LYS 97 2HE LYS 97 7.567 -6.785 -8.319 792 2HE LYS 97 1HE LYS 97 5.955 -6.800 -9.032 793 1HZ LYS 97 1HZ LYS 97 8.041 -7.395 -10.451 794 2HZ LYS 97 2HZ LYS 97 8.185 -5.716 -10.603 795 3HZ LYS 97 3HZ LYS 97 6.779 -6.495 -11.128 796 H MET 98 H MET 98 6.073 -1.692 -7.358 797 HA MET 98 HA MET 98 5.492 -0.445 -4.820 798 1HB MET 98 2HB MET 98 3.888 -0.662 -7.372 799 2HB MET 98 1HB MET 98 3.372 0.242 -5.956 800 1HG MET 98 2HG MET 98 5.562 1.526 -6.191 801 2HG MET 98 1HG MET 98 5.669 0.803 -7.795 802 1HE MET 98 1HE MET 98 2.368 3.582 -6.287 803 2HE MET 98 2HE MET 98 4.039 3.975 -5.884 804 3HE MET 98 3HE MET 98 3.340 2.446 -5.352 805 H VAL 99 H VAL 99 4.743 -1.599 -3.175 806 HA VAL 99 HA VAL 99 3.505 -4.151 -3.501 807 HB VAL 99 HB VAL 99 3.526 -2.477 -0.991 808 1HG1 VAL 99 1HG1 VAL 99 3.817 -5.398 -0.872 809 2HG1 VAL 99 2HG1 VAL 99 2.260 -4.826 -1.471 810 3HG1 VAL 99 3HG1 VAL 99 2.838 -4.310 0.113 811 1HG2 VAL 99 1HG2 VAL 99 5.769 -2.529 -1.246 812 2HG2 VAL 99 2HG2 VAL 99 5.715 -3.876 -2.384 813 3HG2 VAL 99 3HG2 VAL 99 5.590 -4.180 -0.652 814 H ASN 100 H ASN 100 2.350 -0.909 -2.690 815 HA ASN 100 HA ASN 100 -0.290 -1.547 -2.047 816 1HB ASN 100 2HB ASN 100 -0.774 0.835 -2.763 817 2HB ASN 100 1HB ASN 100 0.496 0.647 -1.558 818 1HD2 ASN 100 1HD2 ASN 100 -0.245 2.502 -3.979 819 2HD2 ASN 100 2HD2 ASN 100 1.296 2.774 -4.709 820 H GLU 101 H GLU 101 1.215 -0.885 -5.175 821 HA GLU 101 HA GLU 101 -1.228 -0.988 -6.647 822 1HB GLU 101 2HB GLU 101 1.620 -1.306 -7.614 823 2HB GLU 101 1HB GLU 101 0.215 -1.017 -8.632 824 1HG GLU 101 2HG GLU 101 0.066 1.051 -6.860 825 2HG GLU 101 1HG GLU 101 1.807 0.847 -7.048 826 H ALA 102 H ALA 102 1.465 -3.274 -6.215 827 HA ALA 102 HA ALA 102 0.551 -5.335 -7.820 828 1HB ALA 102 1HB ALA 102 2.141 -6.669 -6.824 829 2HB ALA 102 2HB ALA 102 1.885 -5.968 -5.227 830 3HB ALA 102 3HB ALA 102 2.757 -5.058 -6.461 831 H LEU 103 H LEU 103 -0.234 -4.661 -4.429 832 HA LEU 103 HA LEU 103 -1.806 -6.989 -4.043 833 1HB LEU 103 2HB LEU 103 -1.619 -4.366 -2.585 834 2HB LEU 103 1HB LEU 103 -2.742 -5.620 -2.093 835 HG LEU 103 HG LEU 103 0.102 -6.409 -2.404 836 1HD1 LEU 103 1HD1 LEU 103 0.107 -4.179 -1.238 837 2HD1 LEU 103 2HD1 LEU 103 0.788 -5.521 -0.317 838 3HD1 LEU 103 3HD1 LEU 103 -0.835 -4.937 0.045 839 1HD2 LEU 103 1HD2 LEU 103 -2.147 -7.073 -0.517 840 2HD2 LEU 103 2HD2 LEU 103 -0.503 -7.685 -0.329 841 3HD2 LEU 103 3HD2 LEU 103 -1.440 -8.101 -1.764 842 H VAL 104 H VAL 104 -2.730 -3.589 -4.604 843 HA VAL 104 HA VAL 104 -5.496 -4.054 -4.745 844 HB VAL 104 HB VAL 104 -3.980 -1.852 -6.144 845 1HG1 VAL 104 1HG1 VAL 104 -6.634 -1.327 -5.022 846 2HG1 VAL 104 2HG1 VAL 104 -6.619 -2.481 -6.355 847 3HG1 VAL 104 3HG1 VAL 104 -5.947 -0.866 -6.579 848 1HG2 VAL 104 1HG2 VAL 104 -5.251 -1.350 -3.529 849 2HG2 VAL 104 2HG2 VAL 104 -3.754 -0.711 -4.206 850 3HG2 VAL 104 3HG2 VAL 104 -3.784 -2.327 -3.505 851 H ARG 105 H ARG 105 -3.093 -3.691 -7.355 852 HA ARG 105 HA ARG 105 -4.839 -4.075 -9.496 853 1HB ARG 105 2HB ARG 105 -2.909 -4.459 -10.849 854 2HB ARG 105 1HB ARG 105 -2.470 -3.262 -9.640 855 1HG ARG 105 2HG ARG 105 -0.721 -4.511 -9.117 856 2HG ARG 105 1HG ARG 105 -1.829 -5.742 -8.512 857 1HD ARG 105 2HD ARG 105 -1.423 -7.099 -10.239 858 2HD ARG 105 1HD ARG 105 -1.579 -5.790 -11.409 859 HE ARG 105 HE ARG 105 0.837 -6.890 -10.402 860 1HH1 ARG 105 1HH1 ARG 105 -0.609 -3.892 -11.451 861 2HH1 ARG 105 2HH1 ARG 105 0.899 -3.187 -11.927 862 1HH2 ARG 105 1HH2 ARG 105 2.821 -5.964 -11.028 863 2HH2 ARG 105 2HH2 ARG 105 2.847 -4.363 -11.688 864 H GLN 106 H GLN 106 -3.358 -6.362 -7.328 865 HA GLN 106 HA GLN 106 -4.078 -8.648 -8.957 866 1HB GLN 106 2HB GLN 106 -2.722 -8.297 -6.300 867 2HB GLN 106 1HB GLN 106 -3.296 -9.879 -6.808 868 1HG GLN 106 2HG GLN 106 -1.707 -8.482 -8.824 869 2HG GLN 106 1HG GLN 106 -0.835 -8.852 -7.337 870 1HE2 GLN 106 1HE2 GLN 106 0.434 -10.487 -7.982 871 2HE2 GLN 106 2HE2 GLN 106 -0.139 -11.985 -8.623 872 H GLY 107 H GLY 107 -5.348 -6.838 -6.272 873 1HA GLY 107 2HA GLY 107 -7.694 -6.894 -5.788 874 2HA GLY 107 1HA GLY 107 -7.724 -8.572 -6.306 875 H LEU 108 H LEU 108 -5.480 -6.987 -4.068 876 HA LEU 108 HA LEU 108 -6.535 -8.714 -1.927 877 1HB LEU 108 2HB LEU 108 -3.674 -8.113 -2.642 878 2HB LEU 108 1HB LEU 108 -4.136 -8.735 -1.068 879 HG LEU 108 HG LEU 108 -5.179 -10.700 -2.253 880 1HD1 LEU 108 1HD1 LEU 108 -3.875 -10.918 -4.592 881 2HD1 LEU 108 2HD1 LEU 108 -4.159 -9.177 -4.562 882 3HD1 LEU 108 3HD1 LEU 108 -5.518 -10.294 -4.444 883 1HD2 LEU 108 1HD2 LEU 108 -2.219 -10.277 -2.640 884 2HD2 LEU 108 2HD2 LEU 108 -3.052 -11.831 -2.609 885 3HD2 LEU 108 3HD2 LEU 108 -2.998 -10.831 -1.157 886 H ALA 109 H ALA 109 -5.205 -5.614 -2.839 887 HA ALA 109 HA ALA 109 -5.675 -4.627 -0.103 888 1HB ALA 109 1HB ALA 109 -4.262 -2.641 -1.034 889 2HB ALA 109 2HB ALA 109 -3.737 -3.828 -2.227 890 3HB ALA 109 3HB ALA 109 -3.464 -4.124 -0.511 891 H LYS 110 H LYS 110 -6.866 -2.743 0.211 892 HA LYS 110 HA LYS 110 -8.616 -2.039 -2.036 893 1HB LYS 110 2HB LYS 110 -9.092 -1.257 0.823 894 2HB LYS 110 1HB LYS 110 -10.257 -1.410 -0.482 895 1HG LYS 110 2HG LYS 110 -9.975 -3.835 -0.453 896 2HG LYS 110 1HG LYS 110 -8.809 -3.678 0.865 897 1HD LYS 110 2HD LYS 110 -10.624 -2.499 2.159 898 2HD LYS 110 1HD LYS 110 -11.741 -3.014 0.895 899 1HE LYS 110 2HE LYS 110 -11.191 -5.346 1.339 900 2HE LYS 110 1HE LYS 110 -10.031 -4.849 2.571 901 1HZ LYS 110 1HZ LYS 110 -12.898 -4.132 2.728 902 2HZ LYS 110 2HZ LYS 110 -11.740 -4.090 3.960 903 3HZ LYS 110 3HZ LYS 110 -12.295 -5.575 3.373 904 H VAL 111 H VAL 111 -9.579 0.379 -1.178 905 HA VAL 111 HA VAL 111 -7.190 2.102 -1.319 906 HB VAL 111 HB VAL 111 -8.537 2.146 -3.382 907 1HG1 VAL 111 1HG1 VAL 111 -10.714 1.724 -2.104 908 2HG1 VAL 111 2HG1 VAL 111 -10.769 2.831 -3.477 909 3HG1 VAL 111 3HG1 VAL 111 -10.738 3.466 -1.831 910 1HG2 VAL 111 1HG2 VAL 111 -7.515 4.150 -3.349 911 2HG2 VAL 111 2HG2 VAL 111 -8.021 4.495 -1.694 912 3HG2 VAL 111 3HG2 VAL 111 -9.137 4.766 -3.032 913 H ALA 112 H ALA 112 -6.849 3.080 0.560 914 HA ALA 112 HA ALA 112 -8.917 3.457 2.503 915 1HB ALA 112 1HB ALA 112 -6.170 3.284 2.595 916 2HB ALA 112 2HB ALA 112 -7.228 3.714 3.939 917 3HB ALA 112 3HB ALA 112 -6.480 4.980 2.966 918 H TYR 113 H TYR 113 -9.367 5.582 3.507 919 HA TYR 113 HA TYR 113 -9.331 7.757 1.520 920 1HB TYR 113 2HB TYR 113 -11.587 6.462 2.186 921 2HB TYR 113 1HB TYR 113 -11.561 7.657 3.480 922 HD1 TYR 113 1HD TYR 113 -10.501 7.981 -0.079 923 HD2 TYR 113 2HD TYR 113 -13.244 9.174 2.946 924 HE1 TYR 113 1HE TYR 113 -11.457 9.651 -1.611 925 HE2 TYR 113 2HE TYR 113 -14.208 10.846 1.423 926 HH TYR 113 HH TYR 113 -13.303 12.163 -0.675 927 H VAL 114 H VAL 114 -7.416 8.524 2.586 928 HA VAL 114 HA VAL 114 -7.370 9.211 5.337 929 HB VAL 114 HB VAL 114 -5.319 8.888 4.001 930 1HG1 VAL 114 1HG1 VAL 114 -4.562 10.830 2.584 931 2HG1 VAL 114 2HG1 VAL 114 -6.221 11.424 2.653 932 3HG1 VAL 114 3HG1 VAL 114 -5.874 9.860 1.912 933 1HG2 VAL 114 1HG2 VAL 114 -5.255 11.713 4.984 934 2HG2 VAL 114 2HG2 VAL 114 -4.048 10.439 5.159 935 3HG2 VAL 114 3HG2 VAL 114 -5.533 10.383 6.110 936 H TYR 115 H TYR 115 -7.235 11.404 6.210 937 HA TYR 115 HA TYR 115 -9.460 12.962 5.616 938 1HB TYR 115 2HB TYR 115 -6.947 14.053 6.880 939 2HB TYR 115 1HB TYR 115 -8.609 14.561 7.160 940 HD1 TYR 115 2HD TYR 115 -10.156 13.042 8.417 941 HD2 TYR 115 1HD TYR 115 -5.982 12.279 8.119 942 HE1 TYR 115 2HE TYR 115 -10.306 11.507 10.332 943 HE2 TYR 115 1HE TYR 115 -6.120 10.741 10.032 944 HH TYR 115 HH TYR 115 -7.555 10.318 11.954 945 H LYS 116 H LYS 116 -6.048 13.732 4.916 946 HA LYS 116 HA LYS 116 -6.309 14.494 2.297 947 1HB LYS 116 2HB LYS 116 -7.445 16.473 4.095 948 2HB LYS 116 1HB LYS 116 -6.138 17.151 3.132 949 1HG LYS 116 2HG LYS 116 -7.238 16.747 1.127 950 2HG LYS 116 1HG LYS 116 -8.317 15.553 1.849 951 1HD LYS 116 2HD LYS 116 -9.806 17.237 1.873 952 2HD LYS 116 1HD LYS 116 -8.921 17.773 3.303 953 1HE LYS 116 2HE LYS 116 -7.442 18.829 1.245 954 2HE LYS 116 1HE LYS 116 -9.092 18.961 0.639 955 1HZ LYS 116 1HZ LYS 116 -8.666 19.793 3.393 956 2HZ LYS 116 2HZ LYS 116 -9.634 20.484 2.190 957 3HZ LYS 116 3HZ LYS 116 -7.967 20.778 2.206 958 H GLY 117 H GLY 117 -4.400 15.383 1.427 959 1HA GLY 117 2HA GLY 117 -2.280 16.560 1.860 960 2HA GLY 117 1HA GLY 117 -2.201 15.680 3.378 961 H ASN 118 H ASN 118 -3.136 13.180 2.142 962 HA ASN 118 HA ASN 118 -0.586 12.413 0.910 963 1HB ASN 118 2HB ASN 118 -2.691 10.535 1.979 964 2HB ASN 118 1HB ASN 118 -0.995 10.191 1.654 965 1HD2 ASN 118 1HD2 ASN 118 -3.236 11.800 3.792 966 2HD2 ASN 118 2HD2 ASN 118 -2.152 11.957 5.128 967 H ASN 119 H ASN 119 -2.461 13.769 -0.690 968 HA ASN 119 HA ASN 119 -3.698 11.699 -2.344 969 1HB ASN 119 2HB ASN 119 -4.039 14.652 -2.063 970 2HB ASN 119 1HB ASN 119 -4.454 13.905 -3.603 971 1HD2 ASN 119 1HD2 ASN 119 -5.658 14.844 -0.715 972 2HD2 ASN 119 2HD2 ASN 119 -7.038 13.809 -0.618 973 H THR 120 H THR 120 -0.923 11.672 -2.370 974 HA THR 120 HA THR 120 0.031 13.122 -4.675 975 HB THR 120 HB THR 120 1.360 10.928 -3.072 976 HG1 THR 120 1HG THR 120 1.454 13.749 -2.857 977 1HG2 THR 120 1HG2 THR 120 3.320 12.582 -4.049 978 2HG2 THR 120 2HG2 THR 120 2.218 12.405 -5.414 979 3HG2 THR 120 3HG2 THR 120 2.916 10.975 -4.652 980 H HIS 121 H HIS 121 -0.530 9.698 -3.873 981 HA HIS 121 HA HIS 121 -0.559 9.121 -6.762 982 1HB HIS 121 2HB HIS 121 0.121 7.322 -4.431 983 2HB HIS 121 1HB HIS 121 -0.051 6.761 -6.090 984 HD1 HIS 121 1HD HIS 121 2.574 6.101 -5.244 985 HD2 HIS 121 2HD HIS 121 1.733 10.004 -6.394 986 HE1 HIS 121 1HE HIS 121 4.798 7.130 -5.810 987 HE2 HIS 121 2HE HIS 121 4.256 9.467 -6.577 988 H GLU 122 H GLU 122 -2.758 10.008 -4.840 989 HA GLU 122 HA GLU 122 -4.547 7.967 -4.292 990 1HB GLU 122 2HB GLU 122 -4.711 10.420 -3.645 991 2HB GLU 122 1HB GLU 122 -5.373 10.706 -5.249 992 1HG GLU 122 2HG GLU 122 -6.690 8.545 -3.786 993 2HG GLU 122 1HG GLU 122 -6.823 10.127 -3.018 994 H GLN 123 H GLN 123 -3.790 9.496 -7.331 995 HA GLN 123 HA GLN 123 -6.078 8.494 -8.733 996 1HB GLN 123 2HB GLN 123 -3.483 9.390 -9.978 997 2HB GLN 123 1HB GLN 123 -5.090 9.409 -10.692 998 1HG GLN 123 2HG GLN 123 -5.317 10.977 -8.410 999 2HG GLN 123 1HG GLN 123 -3.753 11.407 -9.100 1000 1HE2 GLN 123 1HE2 GLN 123 -7.150 10.942 -9.971 1001 2HE2 GLN 123 2HE2 GLN 123 -7.192 12.176 -11.178 1002 H LEU 124 H LEU 124 -2.795 7.404 -8.161 1003 HA LEU 124 HA LEU 124 -2.714 5.366 -10.107 1004 1HB LEU 124 2HB LEU 124 -1.292 5.200 -7.467 1005 2HB LEU 124 1HB LEU 124 -0.775 4.586 -9.027 1006 HG LEU 124 HG LEU 124 -0.826 7.466 -8.132 1007 1HD1 LEU 124 1HD1 LEU 124 1.490 7.382 -8.158 1008 2HD1 LEU 124 2HD1 LEU 124 1.527 5.933 -9.162 1009 3HD1 LEU 124 3HD1 LEU 124 1.046 5.820 -7.469 1010 1HD2 LEU 124 1HD2 LEU 124 -0.514 6.254 -10.850 1011 2HD2 LEU 124 2HD2 LEU 124 0.314 7.756 -10.438 1012 3HD2 LEU 124 3HD2 LEU 124 -1.446 7.666 -10.356 1013 H LEU 125 H LEU 125 -3.518 5.257 -6.642 1014 HA LEU 125 HA LEU 125 -4.138 2.498 -6.601 1015 1HB LEU 125 2HB LEU 125 -5.284 4.567 -4.740 1016 2HB LEU 125 1HB LEU 125 -4.998 2.868 -4.417 1017 HG LEU 125 HG LEU 125 -2.478 3.871 -5.056 1018 1HD1 LEU 125 1HD1 LEU 125 -2.170 5.926 -4.182 1019 2HD1 LEU 125 2HD1 LEU 125 -3.393 5.697 -2.931 1020 3HD1 LEU 125 3HD1 LEU 125 -3.880 6.110 -4.575 1021 1HD2 LEU 125 1HD2 LEU 125 -2.223 3.711 -2.483 1022 2HD2 LEU 125 2HD2 LEU 125 -2.614 2.257 -3.402 1023 3HD2 LEU 125 3HD2 LEU 125 -3.882 3.115 -2.526 1024 H ARG 126 H ARG 126 -6.039 5.383 -7.237 1025 HA ARG 126 HA ARG 126 -8.602 4.281 -7.080 1026 1HB ARG 126 2HB ARG 126 -7.385 6.636 -8.416 1027 2HB ARG 126 1HB ARG 126 -8.961 6.122 -9.002 1028 1HG ARG 126 2HG ARG 126 -9.259 6.106 -6.259 1029 2HG ARG 126 1HG ARG 126 -8.247 7.518 -6.563 1030 1HD ARG 126 2HD ARG 126 -9.869 8.591 -7.774 1031 2HD ARG 126 1HD ARG 126 -10.629 7.086 -8.291 1032 HE ARG 126 HE ARG 126 -11.238 8.611 -5.945 1033 1HH1 ARG 126 1HH1 ARG 126 -11.264 5.406 -7.325 1034 2HH1 ARG 126 2HH1 ARG 126 -12.531 4.835 -6.291 1035 1HH2 ARG 126 1HH2 ARG 126 -12.903 7.863 -4.584 1036 2HH2 ARG 126 2HH2 ARG 126 -13.462 6.230 -4.735 1037 H LYS 127 H LYS 127 -6.378 4.512 -9.839 1038 HA LYS 127 HA LYS 127 -8.087 3.355 -11.747 1039 1HB LYS 127 2HB LYS 127 -5.203 3.951 -11.538 1040 2HB LYS 127 1HB LYS 127 -5.620 2.660 -12.655 1041 1HG LYS 127 2HG LYS 127 -5.789 4.387 -14.093 1042 2HG LYS 127 1HG LYS 127 -7.421 4.471 -13.425 1043 1HD LYS 127 2HD LYS 127 -5.235 5.973 -12.067 1044 2HD LYS 127 1HD LYS 127 -5.898 6.614 -13.571 1045 1HE LYS 127 2HE LYS 127 -8.189 6.107 -12.339 1046 2HE LYS 127 1HE LYS 127 -7.177 6.293 -10.908 1047 1HZ LYS 127 1HZ LYS 127 -7.595 8.290 -13.063 1048 2HZ LYS 127 2HZ LYS 127 -6.469 8.468 -11.814 1049 3HZ LYS 127 3HZ LYS 127 -8.120 8.398 -11.458 1050 H SER 128 H SER 128 -5.522 1.901 -9.755 1051 HA SER 128 HA SER 128 -5.770 -0.721 -10.676 1052 1HB SER 128 2HB SER 128 -3.886 0.002 -9.297 1053 2HB SER 128 1HB SER 128 -4.964 0.254 -7.925 1054 HG SER 128 HG SER 128 -3.706 -1.854 -8.216 1055 H GLU 129 H GLU 129 -7.732 1.102 -8.462 1056 HA GLU 129 HA GLU 129 -9.067 -1.156 -7.311 1057 1HB GLU 129 2HB GLU 129 -8.829 1.254 -6.371 1058 2HB GLU 129 1HB GLU 129 -10.211 1.620 -7.395 1059 1HG GLU 129 2HG GLU 129 -11.187 -0.526 -6.172 1060 2HG GLU 129 1HG GLU 129 -10.049 -0.005 -4.930 1061 H ALA 130 H ALA 130 -9.999 1.313 -9.697 1062 HA ALA 130 HA ALA 130 -12.523 0.361 -10.330 1063 1HB ALA 130 1HB ALA 130 -10.505 2.020 -11.734 1064 2HB ALA 130 2HB ALA 130 -12.170 2.394 -11.286 1065 3HB ALA 130 3HB ALA 130 -11.842 1.377 -12.687 1066 H GLN 131 H GLN 131 -9.411 -0.462 -11.855 1067 HA GLN 131 HA GLN 131 -10.479 -2.268 -13.736 1068 1HB GLN 131 2HB GLN 131 -8.077 -3.187 -13.733 1069 2HB GLN 131 1HB GLN 131 -8.318 -1.517 -14.220 1070 1HG GLN 131 2HG GLN 131 -6.963 -0.796 -12.631 1071 2HG GLN 131 1HG GLN 131 -7.881 -1.652 -11.392 1072 1HE2 GLN 131 1HE2 GLN 131 -7.329 -3.862 -10.965 1073 2HE2 GLN 131 2HE2 GLN 131 -5.721 -4.424 -11.252 1074 H ALA 132 H ALA 132 -9.239 -2.712 -10.456 1075 HA ALA 132 HA ALA 132 -9.428 -5.554 -10.475 1076 1HB ALA 132 1HB ALA 132 -9.240 -3.565 -8.219 1077 2HB ALA 132 2HB ALA 132 -7.940 -4.534 -8.914 1078 3HB ALA 132 3HB ALA 132 -9.223 -5.314 -7.989 1079 H LYS 133 H LYS 133 -11.583 -2.939 -9.580 1080 HA LYS 133 HA LYS 133 -13.587 -4.655 -8.435 1081 1HB LYS 133 2HB LYS 133 -13.040 -2.009 -8.197 1082 2HB LYS 133 1HB LYS 133 -14.355 -1.953 -9.362 1083 1HG LYS 133 2HG LYS 133 -14.520 -3.387 -6.724 1084 2HG LYS 133 1HG LYS 133 -15.042 -1.720 -6.980 1085 1HD LYS 133 2HD LYS 133 -17.035 -2.639 -7.463 1086 2HD LYS 133 1HD LYS 133 -16.302 -3.014 -9.023 1087 1HE LYS 133 2HE LYS 133 -15.663 -5.216 -8.211 1088 2HE LYS 133 1HE LYS 133 -16.330 -4.841 -6.622 1089 1HZ LYS 133 1HZ LYS 133 -17.773 -5.280 -9.164 1090 2HZ LYS 133 2HZ LYS 133 -18.502 -4.468 -7.871 1091 3HZ LYS 133 3HZ LYS 133 -17.982 -6.067 -7.680 1092 H LYS 134 H LYS 134 -13.038 -3.024 -11.492 1093 HA LYS 134 HA LYS 134 -15.540 -3.705 -12.665 1094 1HB LYS 134 2HB LYS 134 -14.421 -1.822 -13.556 1095 2HB LYS 134 1HB LYS 134 -12.911 -2.698 -13.736 1096 1HG LYS 134 2HG LYS 134 -14.837 -4.022 -15.327 1097 2HG LYS 134 1HG LYS 134 -14.991 -2.293 -15.635 1098 1HD LYS 134 2HD LYS 134 -12.298 -2.562 -15.644 1099 2HD LYS 134 1HD LYS 134 -12.786 -4.140 -16.268 1100 1HE LYS 134 2HE LYS 134 -14.354 -2.710 -17.802 1101 2HE LYS 134 1HE LYS 134 -13.207 -1.424 -17.430 1102 1HZ LYS 134 1HZ LYS 134 -12.232 -2.307 -19.265 1103 2HZ LYS 134 2HZ LYS 134 -12.817 -3.869 -18.986 1104 3HZ LYS 134 3HZ LYS 134 -11.502 -3.288 -18.097 1105 H GLU 135 H GLU 135 -12.445 -5.282 -12.385 1106 HA GLU 135 HA GLU 135 -13.197 -7.343 -14.310 1107 1HB GLU 135 2HB GLU 135 -10.656 -6.766 -12.797 1108 2HB GLU 135 1HB GLU 135 -10.883 -8.243 -13.723 1109 1HG GLU 135 2HG GLU 135 -11.574 -6.405 -15.568 1110 2HG GLU 135 1HG GLU 135 -10.393 -5.492 -14.631 1111 H LYS 136 H LYS 136 -13.011 -6.810 -10.886 1112 HA LYS 136 HA LYS 136 -13.614 -8.080 -9.097 1113 1HB LYS 136 2HB LYS 136 -14.894 -9.857 -11.183 1114 2HB LYS 136 1HB LYS 136 -15.213 -9.907 -9.456 1115 1HG LYS 136 2HG LYS 136 -15.598 -7.272 -10.671 1116 2HG LYS 136 1HG LYS 136 -16.679 -8.526 -11.282 1117 1HD LYS 136 2HD LYS 136 -16.668 -8.917 -8.534 1118 2HD LYS 136 1HD LYS 136 -16.673 -7.162 -8.720 1119 1HE LYS 136 2HE LYS 136 -18.666 -9.164 -9.741 1120 2HE LYS 136 1HE LYS 136 -18.939 -7.788 -8.671 1121 1HZ LYS 136 1HZ LYS 136 -18.094 -6.465 -10.740 1122 2HZ LYS 136 2HZ LYS 136 -19.706 -6.970 -10.645 1123 3HZ LYS 136 3HZ LYS 136 -18.602 -7.841 -11.585 1124 H LEU 137 H LEU 137 -11.211 -8.449 -9.120 1125 HA LEU 137 HA LEU 137 -10.260 -11.012 -10.000 1126 1HB LEU 137 2HB LEU 137 -8.964 -8.949 -8.218 1127 2HB LEU 137 1HB LEU 137 -8.160 -10.355 -8.889 1128 HG LEU 137 HG LEU 137 -9.341 -8.105 -10.519 1129 1HD1 LEU 137 1HD1 LEU 137 -7.278 -7.138 -10.665 1130 2HD1 LEU 137 2HD1 LEU 137 -6.423 -8.646 -10.342 1131 3HD1 LEU 137 3HD1 LEU 137 -7.199 -7.773 -9.021 1132 1HD2 LEU 137 1HD2 LEU 137 -7.843 -10.608 -11.230 1133 2HD2 LEU 137 2HD2 LEU 137 -7.890 -9.208 -12.300 1134 3HD2 LEU 137 3HD2 LEU 137 -9.386 -10.031 -11.858 1135 H ASN 138 H ASN 138 -10.096 -9.593 -6.732 1136 HA ASN 138 HA ASN 138 -11.112 -12.112 -5.633 1137 1HB ASN 138 2HB ASN 138 -8.443 -10.866 -5.100 1138 2HB ASN 138 1HB ASN 138 -9.257 -11.739 -3.804 1139 1HD2 ASN 138 1HD2 ASN 138 -6.819 -12.532 -4.848 1140 2HD2 ASN 138 2HD2 ASN 138 -7.023 -14.039 -5.669 1141 H ILE 139 H ILE 139 -9.628 -9.230 -4.174 1142 HA ILE 139 HA ILE 139 -11.332 -8.974 -2.033 1143 HB ILE 139 HB ILE 139 -10.742 -6.534 -2.038 1144 1HG1 ILE 139 2HG1 ILE 139 -9.271 -7.331 -4.560 1145 2HG1 ILE 139 1HG1 ILE 139 -10.589 -6.172 -4.440 1146 1HG2 ILE 139 1HG2 ILE 139 -8.118 -7.257 -2.151 1147 2HG2 ILE 139 2HG2 ILE 139 -8.912 -8.817 -1.942 1148 3HG2 ILE 139 3HG2 ILE 139 -9.182 -7.526 -0.771 1149 1HD1 ILE 139 1HD1 ILE 139 -7.731 -5.859 -3.844 1150 2HD1 ILE 139 2HD1 ILE 139 -8.840 -5.083 -2.712 1151 3HD1 ILE 139 3HD1 ILE 139 -8.910 -4.685 -4.429 1152 H TRP 140 H TRP 140 -11.752 -7.706 -5.302 1153 HA TRP 140 HA TRP 140 -14.377 -6.642 -4.543 1154 1HB TRP 140 2HB TRP 140 -12.905 -6.250 -7.152 1155 2HB TRP 140 1HB TRP 140 -14.316 -5.364 -6.584 1156 HD1 TRP 140 HD TRP 140 -10.960 -4.588 -7.150 1157 HE1 TRP 140 1HE TRP 140 -9.990 -2.889 -5.478 1158 HE3 TRP 140 3HE TRP 140 -14.482 -4.975 -3.465 1159 HZ2 TRP 140 2HZ TRP 140 -10.633 -1.851 -2.933 1160 HZ3 TRP 140 3HZ TRP 140 -14.232 -3.594 -1.444 1161 HH2 TRP 140 HH TRP 140 -12.346 -2.065 -1.186 1162 H SER 141 H SER 141 -13.856 -9.495 -4.841 1163 HA SER 141 HA SER 141 -15.473 -10.108 -7.222 1164 1HB SER 141 2HB SER 141 -14.507 -12.253 -7.280 1165 2HB SER 141 1HB SER 141 -13.162 -11.198 -6.847 1166 HG SER 141 HG SER 141 -13.542 -11.784 -4.651 1167 H GLU 142 H GLU 142 -16.534 -9.090 -4.700 1168 HA GLU 142 HA GLU 142 -18.622 -11.031 -4.343 1169 1HB GLU 142 2HB GLU 142 -18.291 -11.033 -1.805 1170 2HB GLU 142 1HB GLU 142 -17.216 -12.046 -2.759 1171 1HG GLU 142 2HG GLU 142 -15.389 -10.719 -2.366 1172 2HG GLU 142 1HG GLU 142 -16.363 -9.279 -2.074 1173 H ASP 143 H ASP 143 -18.276 -8.245 -5.186 1174 HA ASP 143 HA ASP 143 -20.113 -6.997 -3.255 1175 1HB ASP 143 2HB ASP 143 -17.594 -6.118 -3.543 1176 2HB ASP 143 1HB ASP 143 -18.348 -5.227 -4.863 1177 H ASN 144 H ASN 144 -22.002 -6.443 -4.108 1178 HA ASN 144 HA ASN 144 -22.288 -6.445 -7.017 1179 1HB ASN 144 2HB ASN 144 -23.816 -7.807 -5.545 1180 2HB ASN 144 1HB ASN 144 -24.475 -6.291 -4.937 1181 1HD2 ASN 144 1HD2 ASN 144 -26.487 -6.358 -5.734 1182 2HD2 ASN 144 2HD2 ASN 144 -26.878 -6.443 -7.414 1183 H ALA 145 H ALA 145 -21.972 -4.547 -7.974 1184 HA ALA 145 HA ALA 145 -22.897 -2.105 -6.619 1185 1HB ALA 145 1HB ALA 145 -20.546 -2.039 -7.089 1186 2HB ALA 145 2HB ALA 145 -21.363 -0.915 -8.173 1187 3HB ALA 145 3HB ALA 145 -20.822 -2.482 -8.773 1188 H ASP 146 H ASP 146 -25.091 -2.718 -7.358 1189 HA ASP 146 HA ASP 146 -25.883 -1.195 -9.575 1190 1HB ASP 146 2HB ASP 146 -24.874 -3.054 -10.857 1191 2HB ASP 146 1HB ASP 146 -25.964 -4.182 -10.058 1192 H SER 147 H SER 147 -27.547 -0.405 -8.409 1193 HA SER 147 HA SER 147 -29.666 -2.299 -7.667 1194 1HB SER 147 2HB SER 147 -28.263 -0.346 -5.919 1195 2HB SER 147 1HB SER 147 -30.009 -0.483 -5.719 1196 HG SER 147 HG SER 147 -28.296 -2.735 -5.745 1197 H GLY 148 H GLY 148 -29.103 1.228 -7.589 1198 1HA GLY 148 2HA GLY 148 -30.601 2.018 -9.731 1199 2HA GLY 148 1HA GLY 148 -31.790 1.760 -8.462 1200 H GLN 149 H GLN 149 -28.493 3.033 -8.194 1201 HA GLN 149 HA GLN 149 -29.647 5.506 -7.086 1202 1HB GLN 149 2HB GLN 149 -27.252 3.887 -6.376 1203 2HB GLN 149 1HB GLN 149 -27.135 5.632 -6.192 1204 1HG GLN 149 2HG GLN 149 -27.994 5.293 -4.168 1205 2HG GLN 149 1HG GLN 149 -29.533 5.097 -5.008 1206 1HE2 GLN 149 1HE2 GLN 149 -27.099 3.591 -3.152 1207 2HE2 GLN 149 2HE2 GLN 149 -27.791 2.009 -3.103 Start of MODEL 9 1 1H ALA 1 1HT ALA 1 -0.330 25.259 -10.133 2 2H ALA 1 2HT ALA 1 -1.240 25.353 -11.585 3 3H ALA 1 3HT ALA 1 0.444 25.682 -11.603 4 HA ALA 1 HA ALA 1 -0.613 23.098 -10.734 5 1HB ALA 1 1HB ALA 1 -0.880 22.318 -12.840 6 2HB ALA 1 2HB ALA 1 0.366 23.374 -13.508 7 3HB ALA 1 3HB ALA 1 -1.243 24.013 -13.170 8 H THR 2 H THR 2 0.986 21.729 -10.200 9 HA THR 2 HA THR 2 3.743 22.686 -10.556 10 HB THR 2 HB THR 2 4.322 21.263 -8.650 11 HG1 THR 2 1HG THR 2 2.821 19.620 -8.875 12 1HG2 THR 2 1HG2 THR 2 3.423 23.569 -8.239 13 2HG2 THR 2 2HG2 THR 2 3.277 22.438 -6.894 14 3HG2 THR 2 3HG2 THR 2 1.869 22.813 -7.887 15 H SER 3 H SER 3 5.322 21.367 -11.403 16 HA SER 3 HA SER 3 4.332 19.032 -12.871 17 1HB SER 3 2HB SER 3 6.233 19.291 -14.321 18 2HB SER 3 1HB SER 3 5.515 20.886 -14.098 19 HG SER 3 HG SER 3 7.896 19.841 -13.014 20 H THR 4 H THR 4 4.790 18.802 -10.071 21 HA THR 4 HA THR 4 7.249 17.205 -9.920 22 HB THR 4 HB THR 4 6.790 17.248 -7.439 23 HG1 THR 4 1HG THR 4 5.217 18.559 -6.675 24 1HG2 THR 4 1HG2 THR 4 7.133 19.881 -8.846 25 2HG2 THR 4 2HG2 THR 4 8.397 18.805 -8.251 26 3HG2 THR 4 3HG2 THR 4 7.347 19.646 -7.110 27 H LYS 5 H LYS 5 7.170 15.056 -9.875 28 HA LYS 5 HA LYS 5 4.560 13.755 -9.800 29 1HB LYS 5 2HB LYS 5 7.311 12.800 -10.581 30 2HB LYS 5 1HB LYS 5 5.933 11.717 -10.454 31 1HG LYS 5 2HG LYS 5 4.985 12.473 -12.357 32 2HG LYS 5 1HG LYS 5 5.550 14.127 -12.111 33 1HD LYS 5 2HD LYS 5 7.597 13.714 -13.082 34 2HD LYS 5 1HD LYS 5 7.539 11.988 -12.721 35 1HE LYS 5 2HE LYS 5 7.279 12.502 -15.132 36 2HE LYS 5 1HE LYS 5 5.909 11.626 -14.450 37 1HZ LYS 5 1HZ LYS 5 4.772 13.801 -14.222 38 2HZ LYS 5 2HZ LYS 5 5.084 13.367 -15.827 39 3HZ LYS 5 3HZ LYS 5 6.049 14.526 -15.063 40 H LYS 6 H LYS 6 7.688 13.642 -8.141 41 HA LYS 6 HA LYS 6 8.305 12.864 -6.096 42 1HB LYS 6 2HB LYS 6 6.045 14.229 -5.639 43 2HB LYS 6 1HB LYS 6 5.500 12.632 -5.143 44 1HG LYS 6 2HG LYS 6 6.671 12.699 -3.247 45 2HG LYS 6 1HG LYS 6 8.105 13.342 -4.049 46 1HD LYS 6 2HD LYS 6 5.673 14.970 -3.311 47 2HD LYS 6 1HD LYS 6 7.149 14.878 -2.348 48 1HE LYS 6 2HE LYS 6 8.230 16.314 -3.677 49 2HE LYS 6 1HE LYS 6 7.657 15.519 -5.143 50 1HZ LYS 6 1HZ LYS 6 5.650 16.748 -5.070 51 2HZ LYS 6 2HZ LYS 6 6.903 17.862 -4.843 52 3HZ LYS 6 3HZ LYS 6 5.977 17.349 -3.523 53 H LEU 7 H LEU 7 8.790 10.887 -7.382 54 HA LEU 7 HA LEU 7 7.198 8.618 -6.382 55 1HB LEU 7 2HB LEU 7 8.114 9.259 -9.115 56 2HB LEU 7 1HB LEU 7 8.341 7.594 -8.618 57 HG LEU 7 HG LEU 7 5.823 7.750 -7.917 58 1HD1 LEU 7 1HD1 LEU 7 4.497 9.305 -9.030 59 2HD1 LEU 7 2HD1 LEU 7 5.785 9.745 -10.151 60 3HD1 LEU 7 3HD1 LEU 7 5.869 10.257 -8.465 61 1HD2 LEU 7 1HD2 LEU 7 7.056 7.327 -10.589 62 2HD2 LEU 7 2HD2 LEU 7 5.296 7.341 -10.468 63 3HD2 LEU 7 3HD2 LEU 7 6.236 6.183 -9.527 64 H HIS 8 H HIS 8 9.515 9.860 -5.180 65 HA HIS 8 HA HIS 8 11.619 7.866 -5.605 66 1HB HIS 8 2HB HIS 8 12.048 10.414 -5.549 67 2HB HIS 8 1HB HIS 8 11.844 10.268 -3.806 68 HD1 HIS 8 1HD HIS 8 14.535 11.034 -5.337 69 HD2 HIS 8 2HD HIS 8 13.579 7.332 -3.714 70 HE1 HIS 8 1HE HIS 8 16.738 9.897 -4.915 71 HE2 HIS 8 2HE HIS 8 16.136 7.687 -3.866 72 H LYS 9 H LYS 9 11.728 6.176 -4.301 73 HA LYS 9 HA LYS 9 10.457 6.342 -1.655 74 1HB LYS 9 2HB LYS 9 10.515 3.821 -1.765 75 2HB LYS 9 1HB LYS 9 9.465 4.602 -2.939 76 1HG LYS 9 2HG LYS 9 12.089 4.255 -4.048 77 2HG LYS 9 1HG LYS 9 11.482 2.722 -3.421 78 1HD LYS 9 2HD LYS 9 10.728 2.802 -5.643 79 2HD LYS 9 1HD LYS 9 9.324 3.260 -4.677 80 1HE LYS 9 2HE LYS 9 9.816 5.626 -5.111 81 2HE LYS 9 1HE LYS 9 11.194 5.149 -6.103 82 1HZ LYS 9 1HZ LYS 9 9.623 5.385 -7.705 83 2HZ LYS 9 2HZ LYS 9 8.335 4.978 -6.687 84 3HZ LYS 9 3HZ LYS 9 9.331 3.764 -7.314 85 H GLU 10 H GLU 10 11.512 5.196 0.130 86 HA GLU 10 HA GLU 10 14.158 4.268 0.013 87 1HB GLU 10 2HB GLU 10 14.544 6.710 -0.481 88 2HB GLU 10 1HB GLU 10 13.942 7.065 1.133 89 1HG GLU 10 2HG GLU 10 16.122 6.982 1.657 90 2HG GLU 10 1HG GLU 10 15.814 5.249 1.744 91 H ALA 11 H ALA 11 14.535 3.114 1.797 92 HA ALA 11 HA ALA 11 13.370 3.894 4.339 93 1HB ALA 11 1HB ALA 11 12.665 1.276 3.020 94 2HB ALA 11 2HB ALA 11 11.568 2.598 3.407 95 3HB ALA 11 3HB ALA 11 12.330 1.678 4.704 96 H ALA 12 H ALA 12 14.319 0.581 3.667 97 HA ALA 12 HA ALA 12 17.026 0.597 4.009 98 1HB ALA 12 1HB ALA 12 15.774 1.488 6.413 99 2HB ALA 12 2HB ALA 12 17.490 1.274 6.071 100 3HB ALA 12 3HB ALA 12 16.546 -0.069 6.713 101 H THR 13 H THR 13 14.837 -1.075 6.257 102 HA THR 13 HA THR 13 14.844 -3.465 4.617 103 HB THR 13 HB THR 13 16.239 -3.373 7.296 104 HG1 THR 13 1HG THR 13 17.821 -3.057 5.944 105 1HG2 THR 13 1HG2 THR 13 15.649 -5.803 5.624 106 2HG2 THR 13 2HG2 THR 13 14.880 -5.405 7.160 107 3HG2 THR 13 3HG2 THR 13 16.609 -5.752 7.102 108 H LEU 14 H LEU 14 13.228 -4.912 5.148 109 HA LEU 14 HA LEU 14 11.247 -3.894 7.047 110 1HB LEU 14 2HB LEU 14 10.400 -4.261 4.832 111 2HB LEU 14 1HB LEU 14 11.062 -5.882 4.789 112 HG LEU 14 HG LEU 14 8.512 -5.523 5.181 113 1HD1 LEU 14 1HD1 LEU 14 8.377 -7.624 6.198 114 2HD1 LEU 14 2HD1 LEU 14 9.890 -7.397 7.076 115 3HD1 LEU 14 3HD1 LEU 14 9.912 -7.652 5.330 116 1HD2 LEU 14 1HD2 LEU 14 9.256 -4.006 7.236 117 2HD2 LEU 14 2HD2 LEU 14 9.186 -5.561 8.061 118 3HD2 LEU 14 3HD2 LEU 14 7.758 -4.937 7.237 119 H ILE 15 H ILE 15 11.057 -4.791 8.984 120 HA ILE 15 HA ILE 15 12.517 -7.153 9.681 121 HB ILE 15 HB ILE 15 10.501 -5.579 11.291 122 1HG1 ILE 15 2HG1 ILE 15 12.941 -5.109 12.409 123 2HG1 ILE 15 1HG1 ILE 15 13.377 -5.254 10.710 124 1HG2 ILE 15 1HG2 ILE 15 12.107 -7.991 11.885 125 2HG2 ILE 15 2HG2 ILE 15 10.543 -7.483 12.521 126 3HG2 ILE 15 3HG2 ILE 15 12.025 -6.759 13.144 127 1HD1 ILE 15 1HD1 ILE 15 12.005 -3.445 10.103 128 2HD1 ILE 15 2HD1 ILE 15 12.869 -2.935 11.554 129 3HD1 ILE 15 3HD1 ILE 15 11.184 -3.444 11.663 130 H LYS 16 H LYS 16 9.025 -6.381 9.812 131 HA LYS 16 HA LYS 16 8.227 -8.806 8.614 132 1HB LYS 16 2HB LYS 16 9.059 -9.245 11.180 133 2HB LYS 16 1HB LYS 16 7.337 -8.976 11.413 134 1HG LYS 16 2HG LYS 16 7.220 -10.681 9.363 135 2HG LYS 16 1HG LYS 16 8.750 -11.198 10.074 136 1HD LYS 16 2HD LYS 16 7.461 -12.462 11.411 137 2HD LYS 16 1HD LYS 16 7.168 -10.956 12.282 138 1HE LYS 16 2HE LYS 16 5.041 -10.800 11.556 139 2HE LYS 16 1HE LYS 16 5.440 -11.404 9.947 140 1HZ LYS 16 1HZ LYS 16 4.045 -12.992 10.993 141 2HZ LYS 16 2HZ LYS 16 4.979 -13.002 12.402 142 3HZ LYS 16 3HZ LYS 16 5.602 -13.653 10.971 143 H ALA 17 H ALA 17 6.029 -8.874 8.202 144 HA ALA 17 HA ALA 17 4.639 -6.374 8.555 145 1HB ALA 17 1HB ALA 17 4.518 -7.622 6.438 146 2HB ALA 17 2HB ALA 17 2.924 -7.333 7.137 147 3HB ALA 17 3HB ALA 17 3.671 -8.926 7.271 148 H ILE 18 H ILE 18 2.570 -6.130 9.521 149 HA ILE 18 HA ILE 18 2.089 -8.039 11.709 150 HB ILE 18 HB ILE 18 1.200 -5.158 11.585 151 1HG1 ILE 18 2HG1 ILE 18 3.293 -5.924 13.510 152 2HG1 ILE 18 1HG1 ILE 18 3.801 -5.975 11.825 153 1HG2 ILE 18 1HG2 ILE 18 1.490 -6.577 14.150 154 2HG2 ILE 18 2HG2 ILE 18 0.179 -7.130 13.107 155 3HG2 ILE 18 3HG2 ILE 18 0.252 -5.441 13.611 156 1HD1 ILE 18 1HD1 ILE 18 2.801 -3.634 13.402 157 2HD1 ILE 18 2HD1 ILE 18 2.860 -3.623 11.640 158 3HD1 ILE 18 3HD1 ILE 18 4.343 -3.831 12.571 159 H ASP 19 H ASP 19 0.463 -6.023 9.280 160 HA ASP 19 HA ASP 19 -1.656 -7.975 9.071 161 1HB ASP 19 2HB ASP 19 -2.054 -5.332 10.384 162 2HB ASP 19 1HB ASP 19 -3.327 -5.915 9.316 163 H GLY 20 H GLY 20 0.037 -7.536 7.112 164 1HA GLY 20 2HA GLY 20 0.088 -7.089 4.858 165 2HA GLY 20 1HA GLY 20 -1.592 -6.596 4.988 166 H ASP 21 H ASP 21 -1.841 -4.389 6.167 167 HA ASP 21 HA ASP 21 -0.248 -2.500 4.668 168 1HB ASP 21 2HB ASP 21 -1.803 -0.818 5.571 169 2HB ASP 21 1HB ASP 21 -2.667 -2.167 4.838 170 H THR 22 H THR 22 -0.688 -3.501 8.004 171 HA THR 22 HA THR 22 1.198 -1.483 8.930 172 HB THR 22 HB THR 22 0.134 -3.540 10.790 173 HG1 THR 22 1HG THR 22 -1.479 -1.545 9.587 174 1HG2 THR 22 1HG2 THR 22 0.552 -0.573 10.905 175 2HG2 THR 22 2HG2 THR 22 1.359 -1.835 11.835 176 3HG2 THR 22 3HG2 THR 22 -0.337 -1.461 12.142 177 H VAL 23 H VAL 23 3.262 -1.996 8.518 178 HA VAL 23 HA VAL 23 4.199 -4.643 9.394 179 HB VAL 23 HB VAL 23 5.736 -4.766 7.502 180 1HG1 VAL 23 1HG1 VAL 23 4.216 -5.684 6.099 181 2HG1 VAL 23 2HG1 VAL 23 3.181 -4.256 6.108 182 3HG1 VAL 23 3HG1 VAL 23 3.132 -5.389 7.458 183 1HG2 VAL 23 1HG2 VAL 23 4.348 -2.334 6.385 184 2HG2 VAL 23 2HG2 VAL 23 5.718 -3.205 5.694 185 3HG2 VAL 23 3HG2 VAL 23 5.918 -2.286 7.186 186 H LYS 24 H LYS 24 6.234 -4.720 10.316 187 HA LYS 24 HA LYS 24 7.242 -2.177 11.280 188 1HB LYS 24 2HB LYS 24 7.604 -5.036 12.003 189 2HB LYS 24 1HB LYS 24 8.946 -3.955 12.351 190 1HG LYS 24 2HG LYS 24 7.029 -2.484 13.413 191 2HG LYS 24 1HG LYS 24 6.229 -4.052 13.538 192 1HD LYS 24 2HD LYS 24 7.349 -4.211 15.482 193 2HD LYS 24 1HD LYS 24 8.713 -4.657 14.454 194 1HE LYS 24 2HE LYS 24 9.762 -2.968 15.498 195 2HE LYS 24 1HE LYS 24 8.862 -1.948 14.376 196 1HZ LYS 24 1HZ LYS 24 8.799 -1.581 16.979 197 2HZ LYS 24 2HZ LYS 24 7.529 -2.691 16.863 198 3HZ LYS 24 3HZ LYS 24 7.466 -1.242 15.993 199 H LEU 25 H LEU 25 8.485 -1.086 9.903 200 HA LEU 25 HA LEU 25 10.541 -2.555 8.388 201 1HB LEU 25 2HB LEU 25 8.599 -0.900 7.421 202 2HB LEU 25 1HB LEU 25 9.939 0.216 7.604 203 HG LEU 25 HG LEU 25 10.481 -2.352 6.208 204 1HD1 LEU 25 1HD1 LEU 25 8.254 -1.018 5.441 205 2HD1 LEU 25 2HD1 LEU 25 9.278 -1.959 4.358 206 3HD1 LEU 25 3HD1 LEU 25 9.484 -0.212 4.468 207 1HD2 LEU 25 1HD2 LEU 25 11.475 -0.100 4.850 208 2HD2 LEU 25 2HD2 LEU 25 12.374 -1.253 5.833 209 3HD2 LEU 25 3HD2 LEU 25 11.718 0.208 6.569 210 H MET 26 H MET 26 12.621 -2.134 8.753 211 HA MET 26 HA MET 26 13.355 -0.350 10.878 212 1HB MET 26 2HB MET 26 14.419 -2.633 10.219 213 2HB MET 26 1HB MET 26 15.325 -1.684 9.050 214 1HG MET 26 2HG MET 26 16.808 -1.489 10.708 215 2HG MET 26 1HG MET 26 15.722 -0.227 11.288 216 1HE MET 26 1HE MET 26 17.388 -2.311 14.125 217 2HE MET 26 2HE MET 26 16.412 -0.864 14.378 218 3HE MET 26 3HE MET 26 17.536 -0.944 13.022 219 H TYR 27 H TYR 27 13.159 1.764 10.389 220 HA TYR 27 HA TYR 27 14.240 2.738 7.849 221 1HB TYR 27 2HB TYR 27 11.936 3.411 8.539 222 2HB TYR 27 1HB TYR 27 12.634 4.243 9.924 223 HD1 TYR 27 2HD TYR 27 14.067 4.177 6.507 224 HD2 TYR 27 1HD TYR 27 11.966 6.456 9.421 225 HE1 TYR 27 2HE TYR 27 14.369 6.195 5.137 226 HE2 TYR 27 1HE TYR 27 12.262 8.481 8.058 227 HH TYR 27 HH TYR 27 12.654 9.031 5.639 228 H LYS 28 H LYS 28 15.995 4.001 7.710 229 HA LYS 28 HA LYS 28 18.058 4.759 8.307 230 1HB LYS 28 2HB LYS 28 18.015 6.760 9.547 231 2HB LYS 28 1HB LYS 28 16.449 6.663 8.759 232 1HG LYS 28 2HG LYS 28 16.401 5.458 11.394 233 2HG LYS 28 1HG LYS 28 16.933 7.137 11.439 234 1HD LYS 28 2HD LYS 28 14.948 7.883 10.365 235 2HD LYS 28 1HD LYS 28 14.466 6.232 9.973 236 1HE LYS 28 2HE LYS 28 13.295 6.189 11.859 237 2HE LYS 28 1HE LYS 28 14.814 6.279 12.750 238 1HZ LYS 28 1HZ LYS 28 14.513 8.823 12.238 239 2HZ LYS 28 2HZ LYS 28 13.758 8.101 13.567 240 3HZ LYS 28 3HZ LYS 28 12.878 8.391 12.153 241 H GLY 29 H GLY 29 17.238 2.279 9.673 242 1HA GLY 29 2HA GLY 29 18.613 0.929 11.025 243 2HA GLY 29 1HA GLY 29 19.287 2.378 11.747 244 H GLN 30 H GLN 30 15.838 2.231 11.562 245 HA GLN 30 HA GLN 30 15.695 1.198 14.301 246 1HB GLN 30 2HB GLN 30 14.564 3.018 15.185 247 2HB GLN 30 1HB GLN 30 15.761 3.783 14.154 248 1HG GLN 30 2HG GLN 30 14.150 4.322 12.516 249 2HG GLN 30 1HG GLN 30 12.947 3.258 13.240 250 1HE2 GLN 30 1HE2 GLN 30 15.075 5.551 14.860 251 2HE2 GLN 30 2HE2 GLN 30 13.815 6.559 15.477 252 H ALA 31 H ALA 31 14.128 -0.233 14.586 253 HA ALA 31 HA ALA 31 12.384 -0.918 12.424 254 1HB ALA 31 1HB ALA 31 11.467 -2.557 14.162 255 2HB ALA 31 2HB ALA 31 12.764 -1.976 15.205 256 3HB ALA 31 3HB ALA 31 13.149 -2.745 13.666 257 H MET 32 H MET 32 10.927 0.699 12.027 258 HA MET 32 HA MET 32 9.137 1.456 14.237 259 1HB MET 32 2HB MET 32 8.626 3.473 13.008 260 2HB MET 32 1HB MET 32 10.371 3.317 13.157 261 1HG MET 32 2HG MET 32 10.612 2.697 10.903 262 2HG MET 32 1HG MET 32 8.882 2.412 10.715 263 1HE MET 32 1HE MET 32 10.471 6.656 11.530 264 2HE MET 32 2HE MET 32 11.583 5.294 11.406 265 3HE MET 32 3HE MET 32 10.388 5.341 12.702 266 H THR 33 H THR 33 6.871 1.579 13.826 267 HA THR 33 HA THR 33 5.946 -0.540 12.112 268 HB THR 33 HB THR 33 4.167 1.368 13.606 269 HG1 THR 33 1HG THR 33 5.588 -0.836 14.683 270 1HG2 THR 33 1HG2 THR 33 3.833 -1.590 13.421 271 2HG2 THR 33 2HG2 THR 33 3.309 -0.543 12.102 272 3HG2 THR 33 3HG2 THR 33 2.624 -0.341 13.714 273 H PHE 34 H PHE 34 5.656 -0.231 10.014 274 HA PHE 34 HA PHE 34 4.936 2.420 9.016 275 1HB PHE 34 2HB PHE 34 6.192 -0.010 7.837 276 2HB PHE 34 1HB PHE 34 5.260 1.027 6.763 277 HD1 PHE 34 2HD PHE 34 8.143 0.931 9.062 278 HD2 PHE 34 1HD PHE 34 6.112 3.090 6.009 279 HE1 PHE 34 2HE PHE 34 10.080 2.431 8.839 280 HE2 PHE 34 1HE PHE 34 8.046 4.593 5.780 281 HZ PHE 34 HZ PHE 34 10.033 4.266 7.199 282 H ARG 35 H ARG 35 3.180 2.739 7.583 283 HA ARG 35 HA ARG 35 1.202 0.583 7.456 284 1HB ARG 35 2HB ARG 35 0.964 3.056 8.974 285 2HB ARG 35 1HB ARG 35 -0.342 2.862 7.814 286 1HG ARG 35 2HG ARG 35 -0.237 0.383 8.927 287 2HG ARG 35 1HG ARG 35 0.207 1.410 10.291 288 1HD ARG 35 2HD ARG 35 -2.088 1.370 10.479 289 2HD ARG 35 1HD ARG 35 -1.838 2.833 9.527 290 HE ARG 35 HE ARG 35 -2.222 0.515 7.897 291 1HH1 ARG 35 1HH1 ARG 35 -3.878 2.968 9.746 292 2HH1 ARG 35 2HH1 ARG 35 -5.343 2.848 8.831 293 1HH2 ARG 35 1HH2 ARG 35 -4.149 0.355 6.691 294 2HH2 ARG 35 2HH2 ARG 35 -5.498 1.364 7.097 295 H LEU 36 H LEU 36 0.506 0.315 5.436 296 HA LEU 36 HA LEU 36 1.315 1.895 3.289 297 1HB LEU 36 2HB LEU 36 -0.565 -0.325 3.707 298 2HB LEU 36 1HB LEU 36 -0.954 0.702 2.341 299 HG LEU 36 HG LEU 36 1.645 -0.768 2.776 300 1HD1 LEU 36 1HD1 LEU 36 0.137 -2.377 2.072 301 2HD1 LEU 36 2HD1 LEU 36 0.836 -1.813 0.554 302 3HD1 LEU 36 3HD1 LEU 36 -0.756 -1.244 1.058 303 1HD2 LEU 36 1HD2 LEU 36 0.780 1.252 0.743 304 2HD2 LEU 36 2HD2 LEU 36 1.974 0.018 0.342 305 3HD2 LEU 36 3HD2 LEU 36 2.289 1.158 1.650 306 H LEU 37 H LEU 37 0.568 3.712 2.379 307 HA LEU 37 HA LEU 37 -1.614 5.091 3.685 308 1HB LEU 37 2HB LEU 37 0.645 5.812 1.960 309 2HB LEU 37 1HB LEU 37 -0.815 6.735 1.653 310 HG LEU 37 HG LEU 37 0.559 6.488 4.330 311 1HD1 LEU 37 1HD1 LEU 37 0.523 9.141 3.464 312 2HD1 LEU 37 2HD1 LEU 37 1.040 8.199 2.068 313 3HD1 LEU 37 3HD1 LEU 37 1.920 8.074 3.590 314 1HD2 LEU 37 1HD2 LEU 37 -1.016 8.457 4.810 315 2HD2 LEU 37 2HD2 LEU 37 -1.699 6.830 4.806 316 3HD2 LEU 37 3HD2 LEU 37 -1.930 7.887 3.412 317 H LEU 38 H LEU 38 -3.545 5.649 2.824 318 HA LEU 38 HA LEU 38 -5.423 5.426 1.565 319 1HB LEU 38 2HB LEU 38 -3.280 5.911 -0.468 320 2HB LEU 38 1HB LEU 38 -4.933 5.628 -0.983 321 HG LEU 38 HG LEU 38 -3.954 7.878 0.773 322 1HD1 LEU 38 1HD1 LEU 38 -4.474 9.310 -1.032 323 2HD1 LEU 38 2HD1 LEU 38 -5.291 8.021 -1.914 324 3HD1 LEU 38 3HD1 LEU 38 -3.540 7.979 -1.715 325 1HD2 LEU 38 1HD2 LEU 38 -6.368 8.658 0.477 326 2HD2 LEU 38 2HD2 LEU 38 -6.069 7.363 1.636 327 3HD2 LEU 38 3HD2 LEU 38 -6.725 6.986 0.043 328 H VAL 39 H VAL 39 -3.852 2.939 2.214 329 HA VAL 39 HA VAL 39 -5.174 1.216 0.229 330 HB VAL 39 HB VAL 39 -2.514 0.532 1.462 331 1HG1 VAL 39 1HG1 VAL 39 -2.691 -0.909 -0.803 332 2HG1 VAL 39 2HG1 VAL 39 -4.398 -0.788 -0.375 333 3HG1 VAL 39 3HG1 VAL 39 -3.249 -1.482 0.770 334 1HG2 VAL 39 1HG2 VAL 39 -2.355 1.040 -1.358 335 2HG2 VAL 39 2HG2 VAL 39 -1.426 1.756 -0.042 336 3HG2 VAL 39 3HG2 VAL 39 -2.965 2.467 -0.522 337 H ASP 40 H ASP 40 -5.929 -0.788 1.002 338 HA ASP 40 HA ASP 40 -5.929 -1.079 3.932 339 1HB ASP 40 2HB ASP 40 -8.128 -0.327 2.527 340 2HB ASP 40 1HB ASP 40 -8.306 -2.078 2.489 341 H THR 41 H THR 41 -4.730 -2.816 4.340 342 HA THR 41 HA THR 41 -5.118 -5.208 2.662 343 HB THR 41 HB THR 41 -2.674 -4.993 4.325 344 HG1 THR 41 1HG THR 41 -1.797 -3.400 3.251 345 1HG2 THR 41 1HG2 THR 41 -3.456 -6.172 1.731 346 2HG2 THR 41 2HG2 THR 41 -2.464 -6.832 3.030 347 3HG2 THR 41 3HG2 THR 41 -1.783 -5.646 1.916 348 H ALA 42 H ALA 42 -6.850 -5.939 3.955 349 HA ALA 42 HA ALA 42 -7.779 -7.228 5.585 350 1HB ALA 42 1HB ALA 42 -5.732 -8.594 5.265 351 2HB ALA 42 2HB ALA 42 -6.371 -8.663 6.908 352 3HB ALA 42 3HB ALA 42 -4.958 -7.670 6.552 353 H GLU 43 H GLU 43 -8.757 -6.765 7.483 354 HA GLU 43 HA GLU 43 -7.435 -5.222 9.530 355 1HB GLU 43 2HB GLU 43 -8.200 -3.500 7.894 356 2HB GLU 43 1HB GLU 43 -9.852 -4.040 8.160 357 1HG GLU 43 2HG GLU 43 -9.751 -2.254 9.575 358 2HG GLU 43 1HG GLU 43 -9.295 -3.562 10.664 359 H THR 44 H THR 44 -10.518 -6.479 8.310 360 HA THR 44 HA THR 44 -12.029 -6.500 10.598 361 HB THR 44 HB THR 44 -12.972 -7.182 8.494 362 HG1 THR 44 1HG THR 44 -12.985 -9.394 10.266 363 1HG2 THR 44 1HG2 THR 44 -11.724 -8.410 7.124 364 2HG2 THR 44 2HG2 THR 44 -12.327 -9.796 8.034 365 3HG2 THR 44 3HG2 THR 44 -10.768 -9.082 8.445 366 H LYS 45 H LYS 45 -10.880 -6.896 12.465 367 HA LYS 45 HA LYS 45 -9.580 -9.499 12.769 368 1HB LYS 45 2HB LYS 45 -8.781 -8.556 14.936 369 2HB LYS 45 1HB LYS 45 -8.263 -7.643 13.525 370 1HG LYS 45 2HG LYS 45 -10.743 -6.588 14.472 371 2HG LYS 45 1HG LYS 45 -9.601 -6.702 15.813 372 1HD LYS 45 2HD LYS 45 -7.922 -5.542 14.345 373 2HD LYS 45 1HD LYS 45 -9.228 -5.264 13.190 374 1HE LYS 45 2HE LYS 45 -10.372 -4.357 15.463 375 2HE LYS 45 1HE LYS 45 -8.681 -3.982 15.785 376 1HZ LYS 45 1HZ LYS 45 -9.661 -3.260 13.148 377 2HZ LYS 45 2HZ LYS 45 -8.636 -2.412 14.193 378 3HZ LYS 45 3HZ LYS 45 -10.308 -2.375 14.437 379 H HIS 46 H HIS 46 -12.431 -9.411 12.579 380 HA HIS 46 HA HIS 46 -13.078 -10.644 15.149 381 1HB HIS 46 2HB HIS 46 -13.939 -8.110 14.658 382 2HB HIS 46 1HB HIS 46 -15.276 -9.045 13.996 383 HD1 HIS 46 1HD HIS 46 -13.232 -9.647 17.150 384 HD2 HIS 46 2HD HIS 46 -17.153 -8.981 15.946 385 HE1 HIS 46 1HE HIS 46 -14.622 -9.863 19.234 386 HE2 HIS 46 2HE HIS 46 -16.999 -9.536 18.467 387 H THR 47 H THR 47 -12.994 -12.646 14.114 388 HA THR 47 HA THR 47 -13.807 -14.445 12.984 389 HB THR 47 HB THR 47 -16.410 -12.998 12.600 390 HG1 THR 47 1HG THR 47 -15.524 -14.155 15.032 391 1HG2 THR 47 1HG2 THR 47 -16.587 -15.604 13.763 392 2HG2 THR 47 2HG2 THR 47 -15.610 -15.661 12.297 393 3HG2 THR 47 3HG2 THR 47 -17.247 -15.008 12.241 394 H LYS 48 H LYS 48 -12.248 -13.493 11.333 395 HA LYS 48 HA LYS 48 -13.694 -12.755 8.875 396 1HB LYS 48 2HB LYS 48 -11.605 -11.752 8.092 397 2HB LYS 48 1HB LYS 48 -12.108 -11.048 9.622 398 1HG LYS 48 2HG LYS 48 -9.843 -11.343 9.929 399 2HG LYS 48 1HG LYS 48 -10.514 -12.794 10.674 400 1HD LYS 48 2HD LYS 48 -9.435 -14.112 9.240 401 2HD LYS 48 1HD LYS 48 -10.047 -13.205 7.855 402 1HE LYS 48 2HE LYS 48 -7.565 -12.692 9.474 403 2HE LYS 48 1HE LYS 48 -7.689 -13.057 7.754 404 1HZ LYS 48 1HZ LYS 48 -8.204 -10.536 9.162 405 2HZ LYS 48 2HZ LYS 48 -9.072 -10.861 7.748 406 3HZ LYS 48 3HZ LYS 48 -7.382 -10.809 7.708 407 H LYS 49 H LYS 49 -11.260 -14.876 10.261 408 HA LYS 49 HA LYS 49 -10.492 -16.920 9.593 409 1HB LYS 49 2HB LYS 49 -12.219 -16.845 7.139 410 2HB LYS 49 1HB LYS 49 -11.712 -18.231 8.092 411 1HG LYS 49 2HG LYS 49 -13.533 -18.132 9.354 412 2HG LYS 49 1HG LYS 49 -13.301 -16.413 9.670 413 1HD LYS 49 2HD LYS 49 -14.722 -15.781 8.025 414 2HD LYS 49 1HD LYS 49 -14.264 -17.120 6.971 415 1HE LYS 49 2HE LYS 49 -15.511 -18.591 8.690 416 2HE LYS 49 1HE LYS 49 -16.242 -17.077 9.221 417 1HZ LYS 49 1HZ LYS 49 -16.964 -16.726 6.897 418 2HZ LYS 49 2HZ LYS 49 -17.657 -18.094 7.611 419 3HZ LYS 49 3HZ LYS 49 -16.389 -18.270 6.507 420 H GLY 50 H GLY 50 -11.204 -15.127 6.593 421 1HA GLY 50 2HA GLY 50 -8.950 -14.029 5.820 422 2HA GLY 50 1HA GLY 50 -8.499 -15.718 5.647 423 H VAL 51 H VAL 51 -11.698 -14.397 4.976 424 HA VAL 51 HA VAL 51 -11.197 -14.608 2.106 425 HB VAL 51 HB VAL 51 -12.158 -16.774 3.126 426 1HG1 VAL 51 1HG1 VAL 51 -13.938 -15.424 4.388 427 2HG1 VAL 51 2HG1 VAL 51 -14.438 -16.914 3.590 428 3HG1 VAL 51 3HG1 VAL 51 -14.782 -15.355 2.841 429 1HG2 VAL 51 1HG2 VAL 51 -12.198 -15.714 0.648 430 2HG2 VAL 51 2HG2 VAL 51 -13.926 -15.938 0.926 431 3HG2 VAL 51 3HG2 VAL 51 -12.828 -17.314 1.043 432 H GLU 52 H GLU 52 -13.319 -13.550 4.714 433 HA GLU 52 HA GLU 52 -15.363 -12.268 3.500 434 1HB GLU 52 2HB GLU 52 -13.828 -10.745 5.579 435 2HB GLU 52 1HB GLU 52 -15.566 -10.884 5.368 436 1HG GLU 52 2HG GLU 52 -14.918 -13.454 5.887 437 2HG GLU 52 1HG GLU 52 -13.689 -12.605 6.824 438 H LYS 53 H LYS 53 -12.036 -11.166 3.618 439 HA LYS 53 HA LYS 53 -12.516 -9.422 1.354 440 1HB LYS 53 2HB LYS 53 -11.327 -7.512 2.505 441 2HB LYS 53 1HB LYS 53 -12.958 -7.839 3.075 442 1HG LYS 53 2HG LYS 53 -12.121 -7.859 5.127 443 2HG LYS 53 1HG LYS 53 -11.350 -9.391 4.713 444 1HD LYS 53 2HD LYS 53 -9.495 -8.243 5.351 445 2HD LYS 53 1HD LYS 53 -9.546 -7.734 3.662 446 1HE LYS 53 2HE LYS 53 -11.118 -6.114 5.565 447 2HE LYS 53 1HE LYS 53 -9.365 -6.024 5.730 448 1HZ LYS 53 1HZ LYS 53 -9.150 -4.938 3.789 449 2HZ LYS 53 2HZ LYS 53 -10.764 -4.508 4.055 450 3HZ LYS 53 3HZ LYS 53 -10.392 -5.797 3.025 451 H TYR 54 H TYR 54 -11.019 -11.882 2.029 452 HA TYR 54 HA TYR 54 -9.031 -12.859 1.538 453 1HB TYR 54 2HB TYR 54 -8.819 -10.283 0.007 454 2HB TYR 54 1HB TYR 54 -7.462 -11.403 0.055 455 HD1 TYR 54 1HD TYR 54 -7.611 -13.586 -1.022 456 HD2 TYR 54 2HD TYR 54 -10.846 -10.829 -1.198 457 HE1 TYR 54 1HE TYR 54 -8.622 -14.896 -2.842 458 HE2 TYR 54 2HE TYR 54 -11.865 -12.130 -3.018 459 HH TYR 54 HH TYR 54 -11.188 -15.162 -3.713 460 H GLY 55 H GLY 55 -9.299 -11.548 4.034 461 1HA GLY 55 2HA GLY 55 -7.164 -9.877 4.728 462 2HA GLY 55 1HA GLY 55 -8.019 -10.936 5.838 463 H ALA 56 H ALA 56 -7.348 -13.407 4.619 464 HA ALA 56 HA ALA 56 -4.833 -13.880 5.827 465 1HB ALA 56 1HB ALA 56 -5.048 -16.151 4.907 466 2HB ALA 56 2HB ALA 56 -6.432 -15.619 3.951 467 3HB ALA 56 3HB ALA 56 -6.522 -15.615 5.713 468 H GLU 57 H GLU 57 -5.812 -13.113 2.572 469 HA GLU 57 HA GLU 57 -3.231 -13.805 1.445 470 1HB GLU 57 2HB GLU 57 -5.756 -13.696 0.396 471 2HB GLU 57 1HB GLU 57 -5.068 -12.186 -0.184 472 1HG GLU 57 2HG GLU 57 -3.701 -13.213 -1.628 473 2HG GLU 57 1HG GLU 57 -3.328 -14.519 -0.506 474 H ALA 58 H ALA 58 -4.970 -10.968 2.516 475 HA ALA 58 HA ALA 58 -3.448 -8.962 1.316 476 1HB ALA 58 1HB ALA 58 -4.994 -7.757 2.361 477 2HB ALA 58 2HB ALA 58 -4.158 -8.045 3.887 478 3HB ALA 58 3HB ALA 58 -5.439 -9.137 3.363 479 H SER 59 H SER 59 -3.046 -10.449 4.525 480 HA SER 59 HA SER 59 -0.622 -9.061 5.088 481 1HB SER 59 2HB SER 59 -2.210 -11.219 6.383 482 2HB SER 59 1HB SER 59 -0.509 -11.092 6.828 483 HG SER 59 HG SER 59 -1.995 -9.818 8.127 484 H ALA 60 H ALA 60 -1.404 -12.261 3.820 485 HA ALA 60 HA ALA 60 1.192 -13.340 3.893 486 1HB ALA 60 1HB ALA 60 -1.351 -14.000 2.559 487 2HB ALA 60 2HB ALA 60 -0.249 -15.025 3.480 488 3HB ALA 60 3HB ALA 60 0.107 -14.636 1.796 489 H PHE 61 H PHE 61 -0.548 -11.641 1.297 490 HA PHE 61 HA PHE 61 1.458 -11.818 -0.648 491 1HB PHE 61 2HB PHE 61 -0.863 -11.140 -1.132 492 2HB PHE 61 1HB PHE 61 -0.595 -9.625 -0.276 493 HD1 PHE 61 2HD PHE 61 1.359 -8.153 -1.162 494 HD2 PHE 61 1HD PHE 61 -0.524 -11.239 -3.408 495 HE1 PHE 61 2HE PHE 61 2.160 -7.120 -3.247 496 HE2 PHE 61 1HE PHE 61 0.273 -10.212 -5.496 497 HZ PHE 61 HZ PHE 61 1.616 -8.149 -5.417 498 H THR 62 H THR 62 0.820 -9.309 1.779 499 HA THR 62 HA THR 62 3.028 -7.683 0.962 500 HB THR 62 HB THR 62 1.552 -7.623 3.599 501 HG1 THR 62 1HG THR 62 0.090 -6.317 2.636 502 1HG2 THR 62 1HG2 THR 62 3.696 -6.068 2.634 503 2HG2 THR 62 2HG2 THR 62 2.745 -5.839 4.102 504 3HG2 THR 62 3HG2 THR 62 2.250 -5.059 2.599 505 H LYS 63 H LYS 63 2.519 -10.226 3.297 506 HA LYS 63 HA LYS 63 4.931 -9.832 4.757 507 1HB LYS 63 2HB LYS 63 3.101 -10.979 5.801 508 2HB LYS 63 1HB LYS 63 3.048 -12.179 4.519 509 1HG LYS 63 2HG LYS 63 5.638 -12.335 5.529 510 2HG LYS 63 1HG LYS 63 4.604 -12.139 6.944 511 1HD LYS 63 2HD LYS 63 3.180 -13.954 5.526 512 2HD LYS 63 1HD LYS 63 4.825 -14.386 5.053 513 1HE LYS 63 2HE LYS 63 5.453 -14.575 7.410 514 2HE LYS 63 1HE LYS 63 3.813 -14.135 7.884 515 1HZ LYS 63 1HZ LYS 63 3.269 -16.176 6.320 516 2HZ LYS 63 2HZ LYS 63 3.626 -16.377 7.961 517 3HZ LYS 63 3HZ LYS 63 4.823 -16.648 6.796 518 H LYS 64 H LYS 64 4.032 -11.904 2.023 519 HA LYS 64 HA LYS 64 6.555 -13.261 1.984 520 1HB LYS 64 2HB LYS 64 5.756 -14.145 -0.214 521 2HB LYS 64 1HB LYS 64 4.657 -14.435 1.127 522 1HG LYS 64 2HG LYS 64 3.037 -13.551 -0.087 523 2HG LYS 64 1HG LYS 64 3.860 -11.995 0.026 524 1HD LYS 64 2HD LYS 64 4.592 -12.090 -2.100 525 2HD LYS 64 1HD LYS 64 4.952 -13.815 -2.001 526 1HE LYS 64 2HE LYS 64 2.236 -13.831 -1.903 527 2HE LYS 64 1HE LYS 64 2.534 -12.435 -2.940 528 1HZ LYS 64 1HZ LYS 64 2.504 -14.113 -4.466 529 2HZ LYS 64 2HZ LYS 64 3.153 -15.263 -3.409 530 3HZ LYS 64 3HZ LYS 64 4.158 -14.094 -4.105 531 H MET 65 H MET 65 5.151 -10.537 0.226 532 HA MET 65 HA MET 65 7.247 -10.289 -1.665 533 1HB MET 65 2HB MET 65 4.794 -9.134 -1.361 534 2HB MET 65 1HB MET 65 5.854 -7.810 -0.903 535 1HG MET 65 2HG MET 65 5.819 -7.390 -3.106 536 2HG MET 65 1HG MET 65 7.084 -8.616 -3.143 537 1HE MET 65 1HE MET 65 6.826 -9.826 -5.539 538 2HE MET 65 2HE MET 65 6.159 -8.203 -5.718 539 3HE MET 65 3HE MET 65 5.298 -9.589 -6.385 540 H VAL 66 H VAL 66 6.740 -8.987 1.561 541 HA VAL 66 HA VAL 66 9.015 -7.229 1.432 542 HB VAL 66 HB VAL 66 8.626 -6.834 3.811 543 1HG1 VAL 66 1HG1 VAL 66 6.141 -6.144 3.577 544 2HG1 VAL 66 2HG1 VAL 66 6.314 -6.717 1.918 545 3HG1 VAL 66 3HG1 VAL 66 7.341 -5.412 2.511 546 1HG2 VAL 66 1HG2 VAL 66 7.993 -8.891 4.718 547 2HG2 VAL 66 2HG2 VAL 66 6.721 -9.132 3.522 548 3HG2 VAL 66 3HG2 VAL 66 6.519 -7.926 4.792 549 H GLU 67 H GLU 67 8.304 -10.326 3.039 550 HA GLU 67 HA GLU 67 10.790 -10.631 4.299 551 1HB GLU 67 2HB GLU 67 8.554 -12.438 3.550 552 2HB GLU 67 1HB GLU 67 10.100 -13.193 3.912 553 1HG GLU 67 2HG GLU 67 9.284 -11.181 5.862 554 2HG GLU 67 1HG GLU 67 8.183 -12.553 5.739 555 H ASN 68 H ASN 68 9.792 -11.105 1.016 556 HA ASN 68 HA ASN 68 12.233 -12.544 0.329 557 1HB ASN 68 2HB ASN 68 9.787 -12.899 -0.635 558 2HB ASN 68 1HB ASN 68 10.286 -11.622 -1.739 559 1HD2 ASN 68 1HD2 ASN 68 11.000 -14.850 -0.590 560 2HD2 ASN 68 2HD2 ASN 68 11.910 -15.347 -1.974 561 H ALA 69 H ALA 69 10.770 -9.386 0.009 562 HA ALA 69 HA ALA 69 12.635 -8.359 -1.883 563 1HB ALA 69 1HB ALA 69 10.426 -7.366 -1.620 564 2HB ALA 69 2HB ALA 69 11.690 -6.171 -1.329 565 3HB ALA 69 3HB ALA 69 10.825 -6.890 0.030 566 H LYS 70 H LYS 70 14.645 -8.958 -1.021 567 HA LYS 70 HA LYS 70 15.685 -8.504 1.470 568 1HB LYS 70 2HB LYS 70 17.237 -8.046 -1.077 569 2HB LYS 70 1HB LYS 70 17.868 -8.566 0.480 570 1HG LYS 70 2HG LYS 70 15.876 -10.422 -0.294 571 2HG LYS 70 1HG LYS 70 16.927 -10.148 -1.684 572 1HD LYS 70 2HD LYS 70 18.689 -11.157 -0.708 573 2HD LYS 70 1HD LYS 70 18.328 -10.472 0.878 574 1HE LYS 70 2HE LYS 70 16.665 -12.138 1.295 575 2HE LYS 70 1HE LYS 70 16.765 -12.728 -0.364 576 1HZ LYS 70 1HZ LYS 70 18.067 -14.246 0.694 577 2HZ LYS 70 2HZ LYS 70 18.599 -13.161 1.878 578 3HZ LYS 70 3HZ LYS 70 19.255 -13.099 0.320 579 H LYS 71 H LYS 71 15.005 -6.164 -1.013 580 HA LYS 71 HA LYS 71 15.991 -4.047 0.782 581 1HB LYS 71 2HB LYS 71 17.496 -4.097 -1.079 582 2HB LYS 71 1HB LYS 71 16.171 -4.213 -2.227 583 1HG LYS 71 2HG LYS 71 16.069 -1.832 -0.533 584 2HG LYS 71 1HG LYS 71 17.494 -1.926 -1.568 585 1HD LYS 71 2HD LYS 71 15.286 -2.694 -3.150 586 2HD LYS 71 1HD LYS 71 14.797 -1.250 -2.260 587 1HE LYS 71 2HE LYS 71 16.779 -0.076 -3.059 588 2HE LYS 71 1HE LYS 71 17.304 -1.524 -3.915 589 1HZ LYS 71 1HZ LYS 71 14.659 -0.367 -4.485 590 2HZ LYS 71 2HZ LYS 71 15.653 -1.302 -5.483 591 3HZ LYS 71 3HZ LYS 71 16.040 0.316 -5.184 592 H ILE 72 H ILE 72 14.372 -2.844 1.515 593 HA ILE 72 HA ILE 72 12.017 -2.480 -0.213 594 HB ILE 72 HB ILE 72 11.852 -2.448 2.789 595 1HG1 ILE 72 2HG1 ILE 72 10.824 -4.811 2.378 596 2HG1 ILE 72 1HG1 ILE 72 11.782 -4.787 0.901 597 1HG2 ILE 72 1HG2 ILE 72 9.550 -2.554 2.483 598 2HG2 ILE 72 2HG2 ILE 72 9.699 -3.170 0.839 599 3HG2 ILE 72 3HG2 ILE 72 10.077 -1.483 1.185 600 1HD1 ILE 72 1HD1 ILE 72 12.657 -5.752 3.241 601 2HD1 ILE 72 2HD1 ILE 72 13.218 -4.084 3.368 602 3HD1 ILE 72 3HD1 ILE 72 13.717 -5.080 2.002 603 H GLU 73 H GLU 73 11.128 -0.469 -0.359 604 HA GLU 73 HA GLU 73 12.433 1.701 1.143 605 1HB GLU 73 2HB GLU 73 11.796 1.612 -1.807 606 2HB GLU 73 1HB GLU 73 12.218 3.086 -0.949 607 1HG GLU 73 2HG GLU 73 14.382 2.639 -1.085 608 2HG GLU 73 1HG GLU 73 14.152 1.014 -0.441 609 H VAL 74 H VAL 74 11.133 3.546 1.559 610 HA VAL 74 HA VAL 74 8.272 3.226 0.966 611 HB VAL 74 HB VAL 74 7.716 4.056 3.221 612 1HG1 VAL 74 1HG1 VAL 74 7.713 1.974 4.157 613 2HG1 VAL 74 2HG1 VAL 74 9.393 1.656 3.722 614 3HG1 VAL 74 3HG1 VAL 74 8.128 1.544 2.497 615 1HG2 VAL 74 1HG2 VAL 74 9.906 3.513 4.780 616 2HG2 VAL 74 2HG2 VAL 74 9.350 5.120 4.314 617 3HG2 VAL 74 3HG2 VAL 74 10.615 4.320 3.383 618 H GLU 75 H GLU 75 7.071 5.136 0.805 619 HA GLU 75 HA GLU 75 8.663 7.613 0.682 620 1HB GLU 75 2HB GLU 75 8.107 6.738 -1.571 621 2HB GLU 75 1HB GLU 75 6.400 6.826 -1.162 622 1HG GLU 75 2HG GLU 75 7.587 9.359 -0.646 623 2HG GLU 75 1HG GLU 75 8.054 8.831 -2.261 624 H PHE 76 H PHE 76 7.963 9.145 2.007 625 HA PHE 76 HA PHE 76 5.280 8.919 3.153 626 1HB PHE 76 2HB PHE 76 7.807 10.295 3.994 627 2HB PHE 76 1HB PHE 76 6.262 10.838 4.640 628 HD1 PHE 76 2HD PHE 76 4.978 9.438 6.141 629 HD2 PHE 76 1HD PHE 76 8.722 8.144 4.585 630 HE1 PHE 76 2HE PHE 76 5.063 7.657 7.836 631 HE2 PHE 76 1HE PHE 76 8.814 6.361 6.277 632 HZ PHE 76 HZ PHE 76 6.982 6.116 7.906 633 H ASP 77 H ASP 77 3.679 10.291 2.675 634 HA ASP 77 HA ASP 77 4.100 12.293 0.649 635 1HB ASP 77 2HB ASP 77 1.946 10.730 1.444 636 2HB ASP 77 1HB ASP 77 1.489 12.352 1.952 637 H LYS 78 H LYS 78 2.238 14.252 1.430 638 HA LYS 78 HA LYS 78 3.835 15.661 3.434 639 1HB LYS 78 2HB LYS 78 2.843 17.695 2.591 640 2HB LYS 78 1HB LYS 78 3.452 16.744 1.243 641 1HG LYS 78 2HG LYS 78 0.598 16.441 2.019 642 2HG LYS 78 1HG LYS 78 1.095 17.895 1.155 643 1HD LYS 78 2HD LYS 78 2.322 15.995 -0.326 644 2HD LYS 78 1HD LYS 78 0.898 15.107 0.223 645 1HE LYS 78 2HE LYS 78 0.719 17.847 -1.002 646 2HE LYS 78 1HE LYS 78 0.695 16.376 -1.974 647 1HZ LYS 78 1HZ LYS 78 -1.509 16.563 -1.637 648 2HZ LYS 78 2HZ LYS 78 -1.346 17.474 -0.222 649 3HZ LYS 78 3HZ LYS 78 -1.163 15.793 -0.170 650 H GLY 79 H GLY 79 0.885 14.002 3.182 651 1HA GLY 79 2HA GLY 79 -0.803 15.487 4.846 652 2HA GLY 79 1HA GLY 79 -0.876 13.745 4.634 653 H GLN 80 H GLN 80 -0.372 12.488 6.325 654 HA GLN 80 HA GLN 80 1.091 13.720 8.564 655 1HB GLN 80 2HB GLN 80 -0.342 12.565 10.140 656 2HB GLN 80 1HB GLN 80 -1.319 13.559 9.066 657 1HG GLN 80 2HG GLN 80 -1.050 10.928 7.970 658 2HG GLN 80 1HG GLN 80 -1.608 10.829 9.639 659 1HE2 GLN 80 1HE2 GLN 80 -3.492 9.928 8.402 660 2HE2 GLN 80 2HE2 GLN 80 -4.714 11.044 7.909 661 H ARG 81 H ARG 81 2.641 12.515 9.536 662 HA ARG 81 HA ARG 81 3.563 10.170 8.162 663 1HB ARG 81 2HB ARG 81 4.861 12.088 9.505 664 2HB ARG 81 1HB ARG 81 4.698 10.918 10.808 665 1HG ARG 81 2HG ARG 81 5.678 9.229 9.143 666 2HG ARG 81 1HG ARG 81 6.166 10.648 8.214 667 1HD ARG 81 2HD ARG 81 6.935 11.219 10.825 668 2HD ARG 81 1HD ARG 81 7.329 9.513 10.609 669 HE ARG 81 HE ARG 81 9.014 10.125 9.196 670 1HH1 ARG 81 1HH1 ARG 81 6.813 12.812 9.530 671 2HH1 ARG 81 2HH1 ARG 81 7.817 13.908 8.644 672 1HH2 ARG 81 1HH2 ARG 81 10.338 11.565 8.030 673 2HH2 ARG 81 2HH2 ARG 81 9.819 13.201 7.791 674 H THR 82 H THR 82 1.902 10.879 11.157 675 HA THR 82 HA THR 82 1.475 7.994 11.547 676 HB THR 82 HB THR 82 1.737 8.171 13.895 677 HG1 THR 82 1HG THR 82 1.910 10.981 13.554 678 1HG2 THR 82 1HG2 THR 82 3.957 9.081 14.265 679 2HG2 THR 82 2HG2 THR 82 3.889 9.906 12.707 680 3HG2 THR 82 3HG2 THR 82 3.895 8.143 12.772 681 H ASP 83 H ASP 83 -0.587 7.769 10.924 682 HA ASP 83 HA ASP 83 -2.603 9.596 10.831 683 1HB ASP 83 2HB ASP 83 -4.176 7.733 10.843 684 2HB ASP 83 1HB ASP 83 -2.750 7.329 9.890 685 H LYS 84 H LYS 84 -1.837 7.513 13.613 686 HA LYS 84 HA LYS 84 -2.527 9.406 15.538 687 1HB LYS 84 2HB LYS 84 -4.657 8.283 16.380 688 2HB LYS 84 1HB LYS 84 -4.802 9.294 14.949 689 1HG LYS 84 2HG LYS 84 -4.270 6.772 13.938 690 2HG LYS 84 1HG LYS 84 -5.361 6.478 15.292 691 1HD LYS 84 2HD LYS 84 -6.629 8.547 14.178 692 2HD LYS 84 1HD LYS 84 -5.834 7.908 12.739 693 1HE LYS 84 2HE LYS 84 -7.172 5.935 14.482 694 2HE LYS 84 1HE LYS 84 -8.228 7.056 13.623 695 1HZ LYS 84 1HZ LYS 84 -7.723 6.150 11.637 696 2HZ LYS 84 2HZ LYS 84 -7.362 4.787 12.571 697 3HZ LYS 84 3HZ LYS 84 -6.117 5.810 12.055 698 H TYR 85 H TYR 85 -2.708 5.926 14.845 699 HA TYR 85 HA TYR 85 -2.155 5.080 17.481 700 1HB TYR 85 2HB TYR 85 -2.988 3.799 15.272 701 2HB TYR 85 1HB TYR 85 -1.285 3.359 15.225 702 HD1 TYR 85 1HD TYR 85 -4.244 3.361 17.487 703 HD2 TYR 85 2HD TYR 85 -0.513 1.571 16.505 704 HE1 TYR 85 1HE TYR 85 -4.665 1.590 19.141 705 HE2 TYR 85 2HE TYR 85 -0.923 -0.205 18.153 706 HH TYR 85 HH TYR 85 -2.797 -1.256 19.301 707 H GLY 86 H GLY 86 -0.122 6.123 14.857 708 1HA GLY 86 2HA GLY 86 2.071 6.997 15.462 709 2HA GLY 86 1HA GLY 86 2.226 5.654 16.584 710 H ARG 87 H ARG 87 0.957 5.323 13.333 711 HA ARG 87 HA ARG 87 3.281 3.644 12.686 712 1HB ARG 87 2HB ARG 87 0.425 3.622 11.757 713 2HB ARG 87 1HB ARG 87 1.683 2.835 10.815 714 1HG ARG 87 2HG ARG 87 0.747 1.148 12.147 715 2HG ARG 87 1HG ARG 87 2.276 1.564 12.924 716 1HD ARG 87 2HD ARG 87 1.225 2.092 14.806 717 2HD ARG 87 1HD ARG 87 0.192 3.236 13.952 718 HE ARG 87 HE ARG 87 -0.469 0.539 14.746 719 1HH1 ARG 87 1HH1 ARG 87 -1.285 3.227 12.671 720 2HH1 ARG 87 2HH1 ARG 87 -2.921 2.712 12.440 721 1HH2 ARG 87 1HH2 ARG 87 -2.621 -0.137 14.440 722 2HH2 ARG 87 2HH2 ARG 87 -3.679 0.803 13.444 723 H GLY 88 H GLY 88 4.569 4.085 10.991 724 1HA GLY 88 2HA GLY 88 4.542 6.679 9.860 725 2HA GLY 88 1HA GLY 88 5.581 5.350 9.366 726 H LEU 89 H LEU 89 2.598 7.040 8.780 727 HA LEU 89 HA LEU 89 1.494 5.338 6.832 728 1HB LEU 89 2HB LEU 89 1.229 8.273 7.407 729 2HB LEU 89 1HB LEU 89 0.433 7.555 6.020 730 HG LEU 89 HG LEU 89 -0.027 6.851 8.918 731 1HD1 LEU 89 1HD1 LEU 89 -2.423 7.551 7.935 732 2HD1 LEU 89 2HD1 LEU 89 -1.383 8.579 6.950 733 3HD1 LEU 89 3HD1 LEU 89 -1.319 8.689 8.708 734 1HD2 LEU 89 1HD2 LEU 89 -0.653 5.425 6.427 735 2HD2 LEU 89 2HD2 LEU 89 -2.008 5.622 7.538 736 3HD2 LEU 89 3HD2 LEU 89 -0.530 4.826 8.081 737 H ALA 90 H ALA 90 2.216 4.830 4.871 738 HA ALA 90 HA ALA 90 3.113 6.620 2.940 739 1HB ALA 90 1HB ALA 90 5.105 7.108 3.999 740 2HB ALA 90 2HB ALA 90 5.580 5.779 2.941 741 3HB ALA 90 3HB ALA 90 5.280 5.478 4.652 742 H TYR 91 H TYR 91 4.175 5.494 1.059 743 HA TYR 91 HA TYR 91 2.850 2.956 0.649 744 1HB TYR 91 2HB TYR 91 4.666 4.372 -1.301 745 2HB TYR 91 1HB TYR 91 3.388 3.213 -1.655 746 HD1 TYR 91 1HD TYR 91 4.142 6.691 -0.787 747 HD2 TYR 91 2HD TYR 91 1.059 3.897 -1.672 748 HE1 TYR 91 1HE TYR 91 2.561 8.547 -1.111 749 HE2 TYR 91 2HE TYR 91 -0.531 5.745 -1.998 750 HH TYR 91 HH TYR 91 0.450 8.987 -2.272 751 H ILE 92 H ILE 92 3.818 0.986 0.305 752 HA ILE 92 HA ILE 92 6.609 0.792 1.180 753 HB ILE 92 HB ILE 92 4.625 -1.459 0.865 754 1HG1 ILE 92 2HG1 ILE 92 3.831 0.216 2.507 755 2HG1 ILE 92 1HG1 ILE 92 4.249 -1.316 3.266 756 1HG2 ILE 92 1HG2 ILE 92 6.233 -2.839 1.572 757 2HG2 ILE 92 2HG2 ILE 92 6.779 -1.714 2.814 758 3HG2 ILE 92 3HG2 ILE 92 7.351 -1.541 1.155 759 1HD1 ILE 92 1HD1 ILE 92 5.784 -0.361 4.553 760 2HD1 ILE 92 2HD1 ILE 92 5.088 1.180 4.053 761 3HD1 ILE 92 3HD1 ILE 92 6.486 0.526 3.199 762 H TYR 93 H TYR 93 8.198 0.019 -0.094 763 HA TYR 93 HA TYR 93 7.451 -1.029 -2.741 764 1HB TYR 93 2HB TYR 93 9.731 0.867 -2.136 765 2HB TYR 93 1HB TYR 93 9.373 0.164 -3.711 766 HD1 TYR 93 1HD TYR 93 7.288 0.829 -4.906 767 HD2 TYR 93 2HD TYR 93 8.555 2.774 -1.341 768 HE1 TYR 93 1HE TYR 93 5.795 2.717 -5.412 769 HE2 TYR 93 2HE TYR 93 7.066 4.667 -1.837 770 HH TYR 93 HH TYR 93 6.029 5.649 -4.103 771 H ALA 94 H ALA 94 8.269 -2.970 -3.151 772 HA ALA 94 HA ALA 94 10.544 -3.907 -1.529 773 1HB ALA 94 1HB ALA 94 9.398 -6.124 -2.764 774 2HB ALA 94 2HB ALA 94 8.032 -5.114 -2.294 775 3HB ALA 94 3HB ALA 94 9.205 -5.628 -1.083 776 H ASP 95 H ASP 95 12.420 -4.169 -2.503 777 HA ASP 95 HA ASP 95 13.998 -4.085 -4.164 778 1HB ASP 95 2HB ASP 95 12.264 -6.296 -5.275 779 2HB ASP 95 1HB ASP 95 13.982 -6.059 -5.570 780 H GLY 96 H GLY 96 12.142 -2.087 -4.646 781 1HA GLY 96 2HA GLY 96 11.817 -0.573 -6.372 782 2HA GLY 96 1HA GLY 96 12.484 -1.751 -7.488 783 H LYS 97 H LYS 97 9.922 -2.851 -5.474 784 HA LYS 97 HA LYS 97 8.033 -2.541 -7.711 785 1HB LYS 97 2HB LYS 97 8.709 -4.857 -7.551 786 2HB LYS 97 1HB LYS 97 8.382 -4.876 -5.824 787 1HG LYS 97 2HG LYS 97 6.559 -5.965 -6.762 788 2HG LYS 97 1HG LYS 97 5.970 -4.329 -6.460 789 1HD LYS 97 2HD LYS 97 5.939 -3.783 -8.699 790 2HD LYS 97 1HD LYS 97 7.172 -4.976 -9.113 791 1HE LYS 97 2HE LYS 97 4.660 -6.070 -8.037 792 2HE LYS 97 1HE LYS 97 4.528 -5.277 -9.606 793 1HZ LYS 97 1HZ LYS 97 6.425 -6.705 -10.334 794 2HZ LYS 97 2HZ LYS 97 4.999 -7.549 -9.997 795 3HZ LYS 97 3HZ LYS 97 6.273 -7.563 -8.883 796 H MET 98 H MET 98 5.974 -1.897 -7.240 797 HA MET 98 HA MET 98 5.557 -0.685 -4.660 798 1HB MET 98 2HB MET 98 3.576 -0.899 -6.928 799 2HB MET 98 1HB MET 98 3.566 0.259 -5.605 800 1HG MET 98 2HG MET 98 5.800 1.068 -6.520 801 2HG MET 98 1HG MET 98 5.411 0.133 -7.963 802 1HE MET 98 1HE MET 98 2.341 2.683 -6.151 803 2HE MET 98 2HE MET 98 3.715 3.789 -6.152 804 3HE MET 98 3HE MET 98 3.850 2.216 -5.366 805 H VAL 99 H VAL 99 4.809 -1.766 -2.969 806 HA VAL 99 HA VAL 99 3.583 -4.334 -3.203 807 HB VAL 99 HB VAL 99 3.656 -2.600 -0.736 808 1HG1 VAL 99 1HG1 VAL 99 3.961 -5.521 -0.574 809 2HG1 VAL 99 2HG1 VAL 99 2.382 -4.953 -1.115 810 3HG1 VAL 99 3HG1 VAL 99 3.027 -4.417 0.436 811 1HG2 VAL 99 1HG2 VAL 99 5.758 -3.935 -0.225 812 2HG2 VAL 99 2HG2 VAL 99 5.903 -2.661 -1.437 813 3HG2 VAL 99 3HG2 VAL 99 5.785 -4.349 -1.940 814 H ASN 100 H ASN 100 2.412 -1.101 -2.334 815 HA ASN 100 HA ASN 100 -0.213 -1.790 -1.679 816 1HB ASN 100 2HB ASN 100 -0.725 0.614 -2.376 817 2HB ASN 100 1HB ASN 100 0.495 0.398 -1.124 818 1HD2 ASN 100 1HD2 ASN 100 -0.228 1.956 -3.937 819 2HD2 ASN 100 2HD2 ASN 100 1.366 2.399 -4.434 820 H GLU 101 H GLU 101 1.123 -0.729 -4.803 821 HA GLU 101 HA GLU 101 -1.299 -0.939 -6.233 822 1HB GLU 101 2HB GLU 101 1.589 -0.942 -7.091 823 2HB GLU 101 1HB GLU 101 0.274 -1.071 -8.250 824 1HG GLU 101 2HG GLU 101 0.391 1.174 -6.271 825 2HG GLU 101 1HG GLU 101 1.275 1.239 -7.794 826 H ALA 102 H ALA 102 1.455 -3.178 -5.955 827 HA ALA 102 HA ALA 102 0.574 -5.191 -7.624 828 1HB ALA 102 1HB ALA 102 1.955 -5.779 -5.024 829 2HB ALA 102 2HB ALA 102 2.786 -4.994 -6.367 830 3HB ALA 102 3HB ALA 102 2.113 -6.610 -6.572 831 H LEU 103 H LEU 103 -0.274 -4.608 -4.240 832 HA LEU 103 HA LEU 103 -1.787 -6.980 -3.897 833 1HB LEU 103 2HB LEU 103 -1.712 -4.355 -2.434 834 2HB LEU 103 1HB LEU 103 -2.812 -5.639 -1.970 835 HG LEU 103 HG LEU 103 0.060 -6.351 -2.210 836 1HD1 LEU 103 1HD1 LEU 103 -0.064 -4.111 -1.036 837 2HD1 LEU 103 2HD1 LEU 103 0.689 -5.427 -0.136 838 3HD1 LEU 103 3HD1 LEU 103 -0.963 -4.938 0.236 839 1HD2 LEU 103 1HD2 LEU 103 -0.581 -7.623 -0.124 840 2HD2 LEU 103 2HD2 LEU 103 -1.412 -8.098 -1.605 841 3HD2 LEU 103 3HD2 LEU 103 -2.238 -7.091 -0.416 842 H VAL 104 H VAL 104 -2.770 -3.617 -4.547 843 HA VAL 104 HA VAL 104 -5.529 -4.146 -4.730 844 HB VAL 104 HB VAL 104 -3.997 -1.925 -6.084 845 1HG1 VAL 104 1HG1 VAL 104 -6.148 -0.717 -5.959 846 2HG1 VAL 104 2HG1 VAL 104 -6.912 -2.188 -5.356 847 3HG1 VAL 104 3HG1 VAL 104 -6.229 -2.151 -6.981 848 1HG2 VAL 104 1HG2 VAL 104 -3.703 -2.183 -3.566 849 2HG2 VAL 104 2HG2 VAL 104 -5.408 -1.759 -3.437 850 3HG2 VAL 104 3HG2 VAL 104 -4.267 -0.618 -4.148 851 H ARG 105 H ARG 105 -3.036 -3.850 -7.251 852 HA ARG 105 HA ARG 105 -4.691 -4.241 -9.464 853 1HB ARG 105 2HB ARG 105 -1.975 -3.868 -9.043 854 2HB ARG 105 1HB ARG 105 -2.061 -5.464 -9.774 855 1HG ARG 105 2HG ARG 105 -3.770 -3.638 -11.184 856 2HG ARG 105 1HG ARG 105 -2.137 -2.982 -11.061 857 1HD ARG 105 2HD ARG 105 -1.687 -4.251 -12.847 858 2HD ARG 105 1HD ARG 105 -1.662 -5.596 -11.708 859 HE ARG 105 HE ARG 105 -4.269 -5.428 -12.383 860 1HH1 ARG 105 1HH1 ARG 105 -1.338 -5.602 -14.270 861 2HH1 ARG 105 2HH1 ARG 105 -2.093 -6.419 -15.598 862 1HH2 ARG 105 1HH2 ARG 105 -5.263 -6.504 -14.126 863 2HH2 ARG 105 2HH2 ARG 105 -4.322 -6.931 -15.516 864 H GLN 106 H GLN 106 -3.310 -6.519 -7.208 865 HA GLN 106 HA GLN 106 -4.057 -8.816 -8.812 866 1HB GLN 106 2HB GLN 106 -2.040 -8.527 -7.121 867 2HB GLN 106 1HB GLN 106 -3.239 -9.060 -5.950 868 1HG GLN 106 2HG GLN 106 -3.124 -10.693 -8.371 869 2HG GLN 106 1HG GLN 106 -1.638 -10.692 -7.424 870 1HE2 GLN 106 1HE2 GLN 106 -1.562 -11.787 -5.540 871 2HE2 GLN 106 2HE2 GLN 106 -2.879 -12.695 -4.887 872 H GLY 107 H GLY 107 -5.320 -6.944 -6.165 873 1HA GLY 107 2HA GLY 107 -7.692 -6.964 -5.750 874 2HA GLY 107 1HA GLY 107 -7.707 -8.670 -6.173 875 H LEU 108 H LEU 108 -5.494 -6.964 -4.000 876 HA LEU 108 HA LEU 108 -6.603 -8.533 -1.768 877 1HB LEU 108 2HB LEU 108 -3.738 -8.126 -2.563 878 2HB LEU 108 1HB LEU 108 -4.170 -8.509 -0.907 879 HG LEU 108 HG LEU 108 -5.291 -10.581 -1.734 880 1HD1 LEU 108 1HD1 LEU 108 -5.826 -10.449 -3.923 881 2HD1 LEU 108 2HD1 LEU 108 -4.225 -11.161 -4.122 882 3HD1 LEU 108 3HD1 LEU 108 -4.448 -9.422 -4.313 883 1HD2 LEU 108 1HD2 LEU 108 -2.932 -11.522 -2.609 884 2HD2 LEU 108 2HD2 LEU 108 -3.285 -11.204 -0.911 885 3HD2 LEU 108 3HD2 LEU 108 -2.401 -10.013 -1.865 886 H ALA 109 H ALA 109 -5.349 -5.507 -2.902 887 HA ALA 109 HA ALA 109 -5.630 -4.372 -0.200 888 1HB ALA 109 1HB ALA 109 -3.780 -3.817 -2.431 889 2HB ALA 109 2HB ALA 109 -3.525 -3.715 -0.689 890 3HB ALA 109 3HB ALA 109 -4.365 -2.416 -1.536 891 H LYS 110 H LYS 110 -6.827 -2.499 0.103 892 HA LYS 110 HA LYS 110 -8.646 -1.819 -2.111 893 1HB LYS 110 2HB LYS 110 -9.205 -1.417 0.820 894 2HB LYS 110 1HB LYS 110 -10.345 -1.346 -0.517 895 1HG LYS 110 2HG LYS 110 -10.099 -3.732 -0.885 896 2HG LYS 110 1HG LYS 110 -8.908 -3.821 0.416 897 1HD LYS 110 2HD LYS 110 -10.493 -3.401 2.062 898 2HD LYS 110 1HD LYS 110 -11.640 -2.711 0.912 899 1HE LYS 110 2HE LYS 110 -11.974 -4.931 -0.074 900 2HE LYS 110 1HE LYS 110 -10.842 -5.616 1.091 901 1HZ LYS 110 1HZ LYS 110 -13.471 -5.545 1.466 902 2HZ LYS 110 2HZ LYS 110 -13.043 -4.088 2.212 903 3HZ LYS 110 3HZ LYS 110 -12.353 -5.541 2.737 904 H VAL 111 H VAL 111 -9.771 0.470 -1.099 905 HA VAL 111 HA VAL 111 -7.486 2.326 -1.139 906 HB VAL 111 HB VAL 111 -10.354 2.967 -1.833 907 1HG1 VAL 111 1HG1 VAL 111 -8.820 4.771 -3.135 908 2HG1 VAL 111 2HG1 VAL 111 -7.841 4.494 -1.693 909 3HG1 VAL 111 3HG1 VAL 111 -9.512 5.035 -1.534 910 1HG2 VAL 111 1HG2 VAL 111 -9.946 1.652 -3.623 911 2HG2 VAL 111 2HG2 VAL 111 -8.195 1.745 -3.430 912 3HG2 VAL 111 3HG2 VAL 111 -9.070 3.070 -4.198 913 H ALA 112 H ALA 112 -7.009 2.683 0.969 914 HA ALA 112 HA ALA 112 -9.001 2.952 3.000 915 1HB ALA 112 1HB ALA 112 -6.573 2.163 3.256 916 2HB ALA 112 2HB ALA 112 -7.240 3.211 4.509 917 3HB ALA 112 3HB ALA 112 -6.163 3.879 3.281 918 H TYR 113 H TYR 113 -8.805 4.955 4.508 919 HA TYR 113 HA TYR 113 -8.966 7.367 2.823 920 1HB TYR 113 2HB TYR 113 -10.512 6.763 5.354 921 2HB TYR 113 1HB TYR 113 -10.660 8.219 4.375 922 HD1 TYR 113 1HD TYR 113 -10.865 4.507 3.952 923 HD2 TYR 113 2HD TYR 113 -12.429 8.322 2.901 924 HE1 TYR 113 1HE TYR 113 -12.609 3.415 2.605 925 HE2 TYR 113 2HE TYR 113 -14.179 7.241 1.553 926 HH TYR 113 HH TYR 113 -14.571 5.117 0.408 927 H VAL 114 H VAL 114 -7.219 8.575 3.150 928 HA VAL 114 HA VAL 114 -5.899 8.593 5.748 929 HB VAL 114 HB VAL 114 -4.557 8.364 3.676 930 1HG1 VAL 114 1HG1 VAL 114 -4.235 10.283 2.211 931 2HG1 VAL 114 2HG1 VAL 114 -5.407 11.215 3.146 932 3HG1 VAL 114 3HG1 VAL 114 -5.930 9.800 2.232 933 1HG2 VAL 114 1HG2 VAL 114 -3.895 9.638 5.915 934 2HG2 VAL 114 2HG2 VAL 114 -3.726 10.984 4.788 935 3HG2 VAL 114 3HG2 VAL 114 -2.792 9.509 4.546 936 H TYR 115 H TYR 115 -8.534 10.054 4.941 937 HA TYR 115 HA TYR 115 -9.586 11.953 5.640 938 1HB TYR 115 2HB TYR 115 -7.004 12.859 6.912 939 2HB TYR 115 1HB TYR 115 -8.648 13.296 7.360 940 HD1 TYR 115 2HD TYR 115 -9.883 10.559 7.371 941 HD2 TYR 115 1HD TYR 115 -6.178 11.966 8.920 942 HE1 TYR 115 2HE TYR 115 -9.906 8.759 9.045 943 HE2 TYR 115 1HE TYR 115 -6.190 10.168 10.599 944 HH TYR 115 HH TYR 115 -7.194 7.933 10.897 945 H LYS 116 H LYS 116 -6.211 12.977 5.078 946 HA LYS 116 HA LYS 116 -6.412 13.941 2.538 947 1HB LYS 116 2HB LYS 116 -7.805 15.679 4.431 948 2HB LYS 116 1HB LYS 116 -6.584 16.526 3.488 949 1HG LYS 116 2HG LYS 116 -7.887 14.969 1.620 950 2HG LYS 116 1HG LYS 116 -9.180 15.516 2.690 951 1HD LYS 116 2HD LYS 116 -8.942 17.127 0.934 952 2HD LYS 116 1HD LYS 116 -8.319 17.846 2.420 953 1HE LYS 116 2HE LYS 116 -6.868 18.305 0.493 954 2HE LYS 116 1HE LYS 116 -6.045 17.360 1.733 955 1HZ LYS 116 1HZ LYS 116 -6.017 16.723 -0.839 956 2HZ LYS 116 2HZ LYS 116 -7.382 15.847 -0.360 957 3HZ LYS 116 3HZ LYS 116 -5.892 15.571 0.394 958 H GLY 117 H GLY 117 -4.564 15.029 1.848 959 1HA GLY 117 2HA GLY 117 -2.583 16.349 2.403 960 2HA GLY 117 1HA GLY 117 -2.534 15.500 3.941 961 H ASN 118 H ASN 118 -3.203 12.928 2.606 962 HA ASN 118 HA ASN 118 -0.538 12.393 1.471 963 1HB ASN 118 2HB ASN 118 -2.393 10.449 2.862 964 2HB ASN 118 1HB ASN 118 -0.758 10.115 2.301 965 1HD2 ASN 118 1HD2 ASN 118 0.999 11.077 3.386 966 2HD2 ASN 118 2HD2 ASN 118 0.844 11.647 5.009 967 H ASN 119 H ASN 119 -2.929 13.312 0.020 968 HA ASN 119 HA ASN 119 -3.500 10.950 -1.633 969 1HB ASN 119 2HB ASN 119 -4.963 13.596 -1.519 970 2HB ASN 119 1HB ASN 119 -5.436 12.196 -2.474 971 1HD2 ASN 119 1HD2 ASN 119 -7.013 13.514 -0.514 972 2HD2 ASN 119 2HD2 ASN 119 -7.337 12.375 0.743 973 H THR 120 H THR 120 -1.126 11.550 -2.279 974 HA THR 120 HA THR 120 -1.071 13.618 -4.343 975 HB THR 120 HB THR 120 1.163 11.895 -3.252 976 HG1 THR 120 1HG THR 120 0.274 13.410 -1.752 977 1HG2 THR 120 1HG2 THR 120 1.966 14.407 -4.392 978 2HG2 THR 120 2HG2 THR 120 1.146 13.401 -5.587 979 3HG2 THR 120 3HG2 THR 120 2.553 12.777 -4.726 980 H HIS 121 H HIS 121 -0.660 10.135 -3.939 981 HA HIS 121 HA HIS 121 -0.590 9.834 -6.863 982 1HB HIS 121 2HB HIS 121 0.297 7.999 -4.636 983 2HB HIS 121 1HB HIS 121 0.176 7.478 -6.313 984 HD1 HIS 121 1HD HIS 121 1.585 10.780 -5.105 985 HD2 HIS 121 2HD HIS 121 2.832 7.257 -6.922 986 HE1 HIS 121 1HE HIS 121 3.982 11.171 -5.755 987 HE2 HIS 121 2HE HIS 121 4.737 9.001 -6.790 988 H GLU 122 H GLU 122 -2.983 10.300 -5.132 989 HA GLU 122 HA GLU 122 -4.515 8.038 -4.717 990 1HB GLU 122 2HB GLU 122 -5.099 10.374 -4.037 991 2HB GLU 122 1HB GLU 122 -5.550 10.698 -5.705 992 1HG GLU 122 2HG GLU 122 -6.998 8.457 -5.171 993 2HG GLU 122 1HG GLU 122 -6.993 9.266 -3.605 994 H GLN 123 H GLN 123 -3.728 9.639 -7.706 995 HA GLN 123 HA GLN 123 -5.777 8.537 -9.309 996 1HB GLN 123 2HB GLN 123 -4.391 9.188 -11.209 997 2HB GLN 123 1HB GLN 123 -4.439 10.472 -10.009 998 1HG GLN 123 2HG GLN 123 -2.238 9.494 -9.148 999 2HG GLN 123 1HG GLN 123 -2.189 8.610 -10.673 1000 1HE2 GLN 123 1HE2 GLN 123 -2.338 11.825 -9.256 1001 2HE2 GLN 123 2HE2 GLN 123 -1.601 12.646 -10.584 1002 H LEU 124 H LEU 124 -2.578 7.395 -8.387 1003 HA LEU 124 HA LEU 124 -2.520 5.187 -10.177 1004 1HB LEU 124 2HB LEU 124 -1.041 5.365 -7.563 1005 2HB LEU 124 1HB LEU 124 -0.586 4.470 -9.000 1006 HG LEU 124 HG LEU 124 -0.567 7.469 -8.670 1007 1HD1 LEU 124 1HD1 LEU 124 1.731 5.613 -9.231 1008 2HD1 LEU 124 2HD1 LEU 124 1.266 6.106 -7.603 1009 3HD1 LEU 124 3HD1 LEU 124 1.788 7.316 -8.775 1010 1HD2 LEU 124 1HD2 LEU 124 0.205 7.635 -10.915 1011 2HD2 LEU 124 2HD2 LEU 124 -1.277 6.678 -10.943 1012 3HD2 LEU 124 3HD2 LEU 124 0.292 5.882 -11.081 1013 H LEU 125 H LEU 125 -3.247 5.444 -6.700 1014 HA LEU 125 HA LEU 125 -3.857 2.719 -6.330 1015 1HB LEU 125 2HB LEU 125 -4.941 5.068 -4.775 1016 2HB LEU 125 1HB LEU 125 -4.872 3.400 -4.235 1017 HG LEU 125 HG LEU 125 -2.242 3.896 -4.789 1018 1HD1 LEU 125 1HD1 LEU 125 -1.682 6.042 -4.641 1019 2HD1 LEU 125 2HD1 LEU 125 -2.682 6.277 -3.207 1020 3HD1 LEU 125 3HD1 LEU 125 -3.396 6.419 -4.814 1021 1HD2 LEU 125 1HD2 LEU 125 -2.132 4.337 -2.246 1022 2HD2 LEU 125 2HD2 LEU 125 -2.765 2.793 -2.817 1023 3HD2 LEU 125 3HD2 LEU 125 -3.873 4.057 -2.285 1024 H ARG 126 H ARG 126 -5.944 5.525 -6.960 1025 HA ARG 126 HA ARG 126 -8.401 4.208 -6.868 1026 1HB ARG 126 2HB ARG 126 -7.415 6.697 -8.199 1027 2HB ARG 126 1HB ARG 126 -9.016 6.096 -8.605 1028 1HG ARG 126 2HG ARG 126 -8.238 6.456 -5.744 1029 2HG ARG 126 1HG ARG 126 -8.737 7.843 -6.714 1030 1HD ARG 126 2HD ARG 126 -10.847 6.742 -7.230 1031 2HD ARG 126 1HD ARG 126 -10.345 5.322 -6.314 1032 HE ARG 126 HE ARG 126 -10.288 7.700 -4.737 1033 1HH1 ARG 126 1HH1 ARG 126 -12.393 5.224 -6.005 1034 2HH1 ARG 126 2HH1 ARG 126 -13.571 5.405 -4.749 1035 1HH2 ARG 126 1HH2 ARG 126 -11.836 7.941 -3.083 1036 2HH2 ARG 126 2HH2 ARG 126 -13.256 6.949 -3.091 1037 H LYS 127 H LYS 127 -6.101 4.595 -9.515 1038 HA LYS 127 HA LYS 127 -7.704 3.559 -11.576 1039 1HB LYS 127 2HB LYS 127 -4.875 4.186 -11.174 1040 2HB LYS 127 1HB LYS 127 -5.129 2.828 -12.261 1041 1HG LYS 127 2HG LYS 127 -4.997 4.864 -13.528 1042 2HG LYS 127 1HG LYS 127 -6.640 4.228 -13.613 1043 1HD LYS 127 2HD LYS 127 -6.840 5.840 -11.449 1044 2HD LYS 127 1HD LYS 127 -5.627 6.710 -12.391 1045 1HE LYS 127 2HE LYS 127 -8.035 5.725 -13.819 1046 2HE LYS 127 1HE LYS 127 -8.240 7.091 -12.724 1047 1HZ LYS 127 1HZ LYS 127 -7.684 8.208 -14.596 1048 2HZ LYS 127 2HZ LYS 127 -6.781 6.934 -15.245 1049 3HZ LYS 127 3HZ LYS 127 -6.114 7.912 -14.037 1050 H SER 128 H SER 128 -5.347 1.965 -9.446 1051 HA SER 128 HA SER 128 -5.608 -0.614 -10.521 1052 1HB SER 128 2HB SER 128 -4.828 -1.284 -8.123 1053 2HB SER 128 1HB SER 128 -3.742 -0.346 -9.147 1054 HG SER 128 HG SER 128 -5.506 0.808 -7.251 1055 H GLU 129 H GLU 129 -7.458 1.112 -8.085 1056 HA GLU 129 HA GLU 129 -8.937 -1.124 -7.151 1057 1HB GLU 129 2HB GLU 129 -8.706 1.002 -5.895 1058 2HB GLU 129 1HB GLU 129 -9.705 1.801 -7.102 1059 1HG GLU 129 2HG GLU 129 -11.232 -0.362 -6.335 1060 2HG GLU 129 1HG GLU 129 -10.471 0.164 -4.834 1061 H ALA 130 H ALA 130 -9.739 1.482 -9.439 1062 HA ALA 130 HA ALA 130 -12.292 0.697 -10.137 1063 1HB ALA 130 1HB ALA 130 -10.161 2.270 -11.449 1064 2HB ALA 130 2HB ALA 130 -11.833 2.701 -11.083 1065 3HB ALA 130 3HB ALA 130 -11.467 1.689 -12.481 1066 H GLN 131 H GLN 131 -9.226 -0.296 -11.656 1067 HA GLN 131 HA GLN 131 -10.363 -1.986 -13.591 1068 1HB GLN 131 2HB GLN 131 -7.634 -2.102 -12.293 1069 2HB GLN 131 1HB GLN 131 -8.099 -2.992 -13.737 1070 1HG GLN 131 2HG GLN 131 -8.693 -0.649 -14.677 1071 2HG GLN 131 1HG GLN 131 -7.649 -0.064 -13.383 1072 1HE2 GLN 131 1HE2 GLN 131 -5.494 -0.175 -13.621 1073 2HE2 GLN 131 2HE2 GLN 131 -4.691 -0.859 -14.989 1074 H ALA 132 H ALA 132 -9.070 -2.687 -10.354 1075 HA ALA 132 HA ALA 132 -9.543 -5.470 -10.436 1076 1HB ALA 132 1HB ALA 132 -8.001 -4.451 -8.840 1077 2HB ALA 132 2HB ALA 132 -9.232 -5.405 -8.011 1078 3HB ALA 132 3HB ALA 132 -9.352 -3.646 -8.040 1079 H LYS 133 H LYS 133 -11.495 -2.737 -9.386 1080 HA LYS 133 HA LYS 133 -13.629 -4.344 -8.343 1081 1HB LYS 133 2HB LYS 133 -12.897 -1.769 -7.976 1082 2HB LYS 133 1HB LYS 133 -14.169 -1.551 -9.171 1083 1HG LYS 133 2HG LYS 133 -14.481 -3.009 -6.556 1084 2HG LYS 133 1HG LYS 133 -14.982 -1.346 -6.867 1085 1HD LYS 133 2HD LYS 133 -16.963 -2.273 -7.388 1086 2HD LYS 133 1HD LYS 133 -16.183 -2.659 -8.924 1087 1HE LYS 133 2HE LYS 133 -15.598 -4.861 -8.118 1088 2HE LYS 133 1HE LYS 133 -16.235 -4.478 -6.519 1089 1HZ LYS 133 1HZ LYS 133 -17.711 -4.942 -9.030 1090 2HZ LYS 133 2HZ LYS 133 -18.418 -4.069 -7.765 1091 3HZ LYS 133 3HZ LYS 133 -17.932 -5.670 -7.519 1092 H LYS 134 H LYS 134 -12.904 -2.732 -11.365 1093 HA LYS 134 HA LYS 134 -15.475 -3.193 -12.541 1094 1HB LYS 134 2HB LYS 134 -14.271 -1.320 -13.347 1095 2HB LYS 134 1HB LYS 134 -12.811 -2.262 -13.592 1096 1HG LYS 134 2HG LYS 134 -14.833 -3.406 -15.210 1097 2HG LYS 134 1HG LYS 134 -14.886 -1.658 -15.439 1098 1HD LYS 134 2HD LYS 134 -13.098 -1.781 -16.752 1099 2HD LYS 134 1HD LYS 134 -12.158 -2.430 -15.407 1100 1HE LYS 134 2HE LYS 134 -13.131 -4.693 -16.008 1101 2HE LYS 134 1HE LYS 134 -13.713 -3.942 -17.492 1102 1HZ LYS 134 1HZ LYS 134 -11.591 -5.034 -17.837 1103 2HZ LYS 134 2HZ LYS 134 -10.876 -4.094 -16.626 1104 3HZ LYS 134 3HZ LYS 134 -11.430 -3.363 -18.047 1105 H GLU 135 H GLU 135 -12.449 -4.910 -12.353 1106 HA GLU 135 HA GLU 135 -13.322 -6.858 -14.347 1107 1HB GLU 135 2HB GLU 135 -10.714 -6.428 -12.899 1108 2HB GLU 135 1HB GLU 135 -11.021 -7.853 -13.883 1109 1HG GLU 135 2HG GLU 135 -11.390 -6.434 -15.832 1110 2HG GLU 135 1HG GLU 135 -11.089 -5.003 -14.848 1111 H LYS 136 H LYS 136 -13.082 -6.450 -10.921 1112 HA LYS 136 HA LYS 136 -13.666 -7.776 -9.167 1113 1HB LYS 136 2HB LYS 136 -14.995 -9.463 -11.297 1114 2HB LYS 136 1HB LYS 136 -15.291 -9.574 -9.568 1115 1HG LYS 136 2HG LYS 136 -15.662 -6.893 -10.681 1116 2HG LYS 136 1HG LYS 136 -16.766 -8.111 -11.321 1117 1HD LYS 136 2HD LYS 136 -16.656 -8.549 -8.550 1118 2HD LYS 136 1HD LYS 136 -16.776 -6.801 -8.758 1119 1HE LYS 136 2HE LYS 136 -18.982 -7.197 -8.902 1120 2HE LYS 136 1HE LYS 136 -18.610 -7.671 -10.559 1121 1HZ LYS 136 1HZ LYS 136 -18.149 -9.954 -9.281 1122 2HZ LYS 136 2HZ LYS 136 -19.655 -9.545 -9.933 1123 3HZ LYS 136 3HZ LYS 136 -19.356 -9.313 -8.285 1124 H LEU 137 H LEU 137 -11.261 -8.167 -9.257 1125 HA LEU 137 HA LEU 137 -10.366 -10.718 -10.229 1126 1HB LEU 137 2HB LEU 137 -9.104 -8.485 -8.683 1127 2HB LEU 137 1HB LEU 137 -8.289 -10.031 -8.820 1128 HG LEU 137 HG LEU 137 -9.067 -8.206 -11.094 1129 1HD1 LEU 137 1HD1 LEU 137 -6.508 -8.847 -9.693 1130 2HD1 LEU 137 2HD1 LEU 137 -7.152 -7.285 -10.200 1131 3HD1 LEU 137 3HD1 LEU 137 -6.494 -8.399 -11.399 1132 1HD2 LEU 137 1HD2 LEU 137 -7.908 -10.980 -11.076 1133 2HD2 LEU 137 2HD2 LEU 137 -7.745 -9.886 -12.449 1134 3HD2 LEU 137 3HD2 LEU 137 -9.346 -10.399 -11.918 1135 H ASN 138 H ASN 138 -9.944 -9.433 -6.938 1136 HA ASN 138 HA ASN 138 -10.941 -11.995 -5.894 1137 1HB ASN 138 2HB ASN 138 -8.375 -10.573 -5.242 1138 2HB ASN 138 1HB ASN 138 -9.124 -11.656 -4.073 1139 1HD2 ASN 138 1HD2 ASN 138 -10.031 -13.700 -5.514 1140 2HD2 ASN 138 2HD2 ASN 138 -8.747 -14.496 -6.350 1141 H ILE 139 H ILE 139 -9.593 -9.164 -4.234 1142 HA ILE 139 HA ILE 139 -11.393 -9.067 -2.163 1143 HB ILE 139 HB ILE 139 -10.863 -6.610 -2.005 1144 1HG1 ILE 139 2HG1 ILE 139 -9.245 -7.257 -4.481 1145 2HG1 ILE 139 1HG1 ILE 139 -10.575 -6.111 -4.364 1146 1HG2 ILE 139 1HG2 ILE 139 -9.030 -8.877 -1.878 1147 2HG2 ILE 139 2HG2 ILE 139 -9.345 -7.604 -0.700 1148 3HG2 ILE 139 3HG2 ILE 139 -8.216 -7.320 -2.023 1149 1HD1 ILE 139 1HD1 ILE 139 -7.753 -5.827 -3.590 1150 2HD1 ILE 139 2HD1 ILE 139 -8.932 -5.105 -2.495 1151 3HD1 ILE 139 3HD1 ILE 139 -8.898 -4.629 -4.193 1152 H TRP 140 H TRP 140 -11.678 -7.523 -5.335 1153 HA TRP 140 HA TRP 140 -14.351 -6.560 -4.629 1154 1HB TRP 140 2HB TRP 140 -12.738 -6.024 -7.131 1155 2HB TRP 140 1HB TRP 140 -14.227 -5.215 -6.649 1156 HD1 TRP 140 HD TRP 140 -10.863 -4.302 -6.904 1157 HE1 TRP 140 1HE TRP 140 -10.107 -2.624 -5.104 1158 HE3 TRP 140 3HE TRP 140 -14.671 -4.935 -3.550 1159 HZ2 TRP 140 2HZ TRP 140 -11.004 -1.694 -2.595 1160 HZ3 TRP 140 3HZ TRP 140 -14.647 -3.613 -1.476 1161 HH2 TRP 140 HH TRP 140 -12.849 -2.027 -1.009 1162 H SER 141 H SER 141 -13.892 -9.374 -4.986 1163 HA SER 141 HA SER 141 -15.632 -9.842 -7.316 1164 1HB SER 141 2HB SER 141 -14.455 -11.783 -7.929 1165 2HB SER 141 1HB SER 141 -13.179 -10.633 -7.529 1166 HG SER 141 HG SER 141 -13.285 -11.633 -5.357 1167 H GLU 142 H GLU 142 -16.257 -9.415 -4.470 1168 HA GLU 142 HA GLU 142 -18.063 -11.619 -4.150 1169 1HB GLU 142 2HB GLU 142 -17.210 -12.107 -1.790 1170 2HB GLU 142 1HB GLU 142 -16.283 -12.767 -3.130 1171 1HG GLU 142 2HG GLU 142 -14.866 -10.618 -2.893 1172 2HG GLU 142 1HG GLU 142 -15.606 -10.510 -1.297 1173 H ASP 143 H ASP 143 -18.128 -8.717 -4.417 1174 HA ASP 143 HA ASP 143 -18.699 -7.473 -1.951 1175 1HB ASP 143 2HB ASP 143 -19.838 -5.747 -3.355 1176 2HB ASP 143 1HB ASP 143 -18.201 -6.123 -3.884 1177 H ASN 144 H ASN 144 -20.954 -6.470 -1.564 1178 HA ASN 144 HA ASN 144 -23.208 -8.075 -2.343 1179 1HB ASN 144 2HB ASN 144 -21.845 -9.136 -0.271 1180 2HB ASN 144 1HB ASN 144 -22.897 -8.028 0.605 1181 1HD2 ASN 144 1HD2 ASN 144 -22.957 -10.849 0.775 1182 2HD2 ASN 144 2HD2 ASN 144 -24.497 -11.380 0.198 1183 H ALA 145 H ALA 145 -25.164 -7.068 -1.949 1184 HA ALA 145 HA ALA 145 -24.971 -4.259 -1.227 1185 1HB ALA 145 1HB ALA 145 -26.819 -3.924 -2.487 1186 2HB ALA 145 2HB ALA 145 -27.592 -5.415 -1.948 1187 3HB ALA 145 3HB ALA 145 -26.340 -5.470 -3.190 1188 H ASP 146 H ASP 146 -26.203 -3.258 0.384 1189 HA ASP 146 HA ASP 146 -27.144 -3.039 2.442 1190 1HB ASP 146 2HB ASP 146 -28.489 -5.524 1.428 1191 2HB ASP 146 1HB ASP 146 -28.792 -4.957 3.068 1192 H SER 147 H SER 147 -25.664 -3.131 4.007 1193 HA SER 147 HA SER 147 -24.251 -5.575 4.612 1194 1HB SER 147 2HB SER 147 -24.148 -2.925 6.071 1195 2HB SER 147 1HB SER 147 -22.977 -4.239 6.180 1196 HG SER 147 HG SER 147 -22.286 -2.582 4.757 1197 H GLY 148 H GLY 148 -25.728 -7.021 5.447 1198 1HA GLY 148 2HA GLY 148 -26.226 -6.924 8.209 1199 2HA GLY 148 1HA GLY 148 -27.690 -6.435 7.371 1200 H GLN 149 H GLN 149 -26.785 -8.888 8.979 1201 HA GLN 149 HA GLN 149 -28.316 -10.780 7.502 1202 1HB GLN 149 2HB GLN 149 -25.346 -10.927 7.408 1203 2HB GLN 149 1HB GLN 149 -26.226 -12.435 7.608 1204 1HG GLN 149 2HG GLN 149 -27.615 -11.526 5.578 1205 2HG GLN 149 1HG GLN 149 -26.163 -10.566 5.297 1206 1HE2 GLN 149 1HE2 GLN 149 -24.094 -11.858 5.360 1207 2HE2 GLN 149 2HE2 GLN 149 -24.115 -13.393 4.568 Start of MODEL 10 1 1H ALA 1 1HT ALA 1 17.163 28.067 -17.301 2 2H ALA 1 2HT ALA 1 16.991 27.988 -15.595 3 3H ALA 1 3HT ALA 1 15.600 27.999 -16.601 4 HA ALA 1 HA ALA 1 16.597 25.922 -17.615 5 1HB ALA 1 1HB ALA 1 17.952 25.929 -14.921 6 2HB ALA 1 2HB ALA 1 18.764 26.162 -16.470 7 3HB ALA 1 3HB ALA 1 17.977 24.625 -16.109 8 H THR 2 H THR 2 15.152 24.311 -17.350 9 HA THR 2 HA THR 2 12.976 24.704 -15.551 10 HB THR 2 HB THR 2 12.329 22.358 -16.446 11 HG1 THR 2 1HG THR 2 14.515 21.921 -17.166 12 1HG2 THR 2 1HG2 THR 2 11.745 23.253 -18.695 13 2HG2 THR 2 2HG2 THR 2 12.638 24.717 -18.280 14 3HG2 THR 2 3HG2 THR 2 11.218 24.254 -17.343 15 H SER 3 H SER 3 12.281 23.349 -13.854 16 HA SER 3 HA SER 3 14.285 21.497 -12.773 17 1HB SER 3 2HB SER 3 12.804 23.267 -10.870 18 2HB SER 3 1HB SER 3 14.380 22.495 -10.688 19 HG SER 3 HG SER 3 13.915 24.966 -11.388 20 H THR 4 H THR 4 13.333 20.191 -10.920 21 HA THR 4 HA THR 4 10.483 19.895 -10.835 22 HB THR 4 HB THR 4 11.912 17.467 -11.853 23 HG1 THR 4 1HG THR 4 11.680 18.098 -13.911 24 1HG2 THR 4 1HG2 THR 4 9.530 17.411 -13.029 25 2HG2 THR 4 2HG2 THR 4 9.113 18.373 -11.609 26 3HG2 THR 4 3HG2 THR 4 9.813 16.766 -11.412 27 H LYS 5 H LYS 5 9.788 18.341 -9.257 28 HA LYS 5 HA LYS 5 11.799 17.937 -7.183 29 1HB LYS 5 2HB LYS 5 8.821 17.460 -7.031 30 2HB LYS 5 1HB LYS 5 9.946 17.552 -5.684 31 1HG LYS 5 2HG LYS 5 10.226 19.866 -5.930 32 2HG LYS 5 1HG LYS 5 9.514 19.865 -7.545 33 1HD LYS 5 2HD LYS 5 7.892 18.976 -5.194 34 2HD LYS 5 1HD LYS 5 8.116 20.699 -5.510 35 1HE LYS 5 2HE LYS 5 6.188 20.292 -6.686 36 2HE LYS 5 1HE LYS 5 7.402 20.035 -7.938 37 1HZ LYS 5 1HZ LYS 5 6.976 17.839 -8.024 38 2HZ LYS 5 2HZ LYS 5 5.474 18.297 -7.396 39 3HZ LYS 5 3HZ LYS 5 6.676 17.702 -6.364 40 H LYS 6 H LYS 6 12.816 16.063 -7.009 41 HA LYS 6 HA LYS 6 11.734 13.697 -8.313 42 1HB LYS 6 2HB LYS 6 14.390 14.266 -6.993 43 2HB LYS 6 1HB LYS 6 13.956 12.696 -7.656 44 1HG LYS 6 2HG LYS 6 14.143 13.395 -9.810 45 2HG LYS 6 1HG LYS 6 13.686 15.056 -9.429 46 1HD LYS 6 2HD LYS 6 15.921 15.330 -9.866 47 2HD LYS 6 1HD LYS 6 15.971 15.038 -8.126 48 1HE LYS 6 2HE LYS 6 16.360 12.924 -10.241 49 2HE LYS 6 1HE LYS 6 17.668 13.748 -9.392 50 1HZ LYS 6 1HZ LYS 6 15.673 11.861 -8.299 51 2HZ LYS 6 2HZ LYS 6 16.543 12.905 -7.291 52 3HZ LYS 6 3HZ LYS 6 17.361 11.765 -8.235 53 H LEU 7 H LEU 7 10.444 12.374 -7.234 54 HA LEU 7 HA LEU 7 10.832 12.088 -4.326 55 1HB LEU 7 2HB LEU 7 8.382 12.160 -6.029 56 2HB LEU 7 1HB LEU 7 8.359 11.192 -4.566 57 HG LEU 7 HG LEU 7 7.419 13.470 -4.267 58 1HD1 LEU 7 1HD1 LEU 7 9.171 14.030 -2.338 59 2HD1 LEU 7 2HD1 LEU 7 9.685 12.384 -2.705 60 3HD1 LEU 7 3HD1 LEU 7 8.018 12.700 -2.222 61 1HD2 LEU 7 1HD2 LEU 7 8.584 15.388 -4.634 62 2HD2 LEU 7 2HD2 LEU 7 9.346 14.371 -5.856 63 3HD2 LEU 7 3HD2 LEU 7 10.145 14.636 -4.307 64 H HIS 8 H HIS 8 11.966 10.282 -3.992 65 HA HIS 8 HA HIS 8 11.100 7.836 -5.389 66 1HB HIS 8 2HB HIS 8 13.419 7.034 -5.281 67 2HB HIS 8 1HB HIS 8 13.307 8.540 -6.186 68 HD1 HIS 8 1HD HIS 8 15.213 10.009 -5.671 69 HD2 HIS 8 2HD HIS 8 14.033 7.811 -2.348 70 HE1 HIS 8 1HE HIS 8 16.755 10.716 -3.815 71 HE2 HIS 8 2HE HIS 8 16.077 9.311 -1.836 72 H LYS 9 H LYS 9 11.313 5.857 -4.203 73 HA LYS 9 HA LYS 9 10.546 6.127 -1.465 74 1HB LYS 9 2HB LYS 9 10.617 3.597 -1.516 75 2HB LYS 9 1HB LYS 9 9.535 4.357 -2.675 76 1HG LYS 9 2HG LYS 9 12.148 3.982 -3.824 77 2HG LYS 9 1HG LYS 9 11.515 2.462 -3.188 78 1HD LYS 9 2HD LYS 9 9.654 2.511 -4.588 79 2HD LYS 9 1HD LYS 9 9.801 4.245 -4.880 80 1HE LYS 9 2HE LYS 9 11.368 3.978 -6.500 81 2HE LYS 9 1HE LYS 9 12.068 2.550 -5.739 82 1HZ LYS 9 1HZ LYS 9 9.748 2.742 -7.537 83 2HZ LYS 9 2HZ LYS 9 9.845 1.461 -6.437 84 3HZ LYS 9 3HZ LYS 9 11.060 1.676 -7.594 85 H GLU 10 H GLU 10 11.607 5.027 0.337 86 HA GLU 10 HA GLU 10 14.238 4.074 0.248 87 1HB GLU 10 2HB GLU 10 14.574 6.548 -0.319 88 2HB GLU 10 1HB GLU 10 14.114 6.878 1.346 89 1HG GLU 10 2HG GLU 10 16.386 6.817 1.532 90 2HG GLU 10 1HG GLU 10 15.984 5.140 1.897 91 H ALA 11 H ALA 11 14.624 2.996 2.083 92 HA ALA 11 HA ALA 11 13.475 3.878 4.595 93 1HB ALA 11 1HB ALA 11 12.444 1.639 5.028 94 2HB ALA 11 2HB ALA 11 12.690 1.263 3.323 95 3HB ALA 11 3HB ALA 11 11.635 2.597 3.787 96 H ALA 12 H ALA 12 14.392 0.541 3.969 97 HA ALA 12 HA ALA 12 17.097 0.542 4.342 98 1HB ALA 12 1HB ALA 12 17.541 1.217 6.408 99 2HB ALA 12 2HB ALA 12 16.577 -0.116 7.042 100 3HB ALA 12 3HB ALA 12 15.823 1.446 6.728 101 H THR 13 H THR 13 14.877 -1.116 6.570 102 HA THR 13 HA THR 13 14.815 -3.497 4.939 103 HB THR 13 HB THR 13 16.341 -3.466 7.550 104 HG1 THR 13 1HG THR 13 17.122 -4.117 4.903 105 1HG2 THR 13 1HG2 THR 13 16.783 -5.866 7.066 106 2HG2 THR 13 2HG2 THR 13 15.513 -5.797 5.845 107 3HG2 THR 13 3HG2 THR 13 15.123 -5.506 7.541 108 H LEU 14 H LEU 14 13.260 -4.997 5.625 109 HA LEU 14 HA LEU 14 11.282 -3.876 7.431 110 1HB LEU 14 2HB LEU 14 9.731 -5.178 6.381 111 2HB LEU 14 1HB LEU 14 10.915 -5.028 5.098 112 HG LEU 14 HG LEU 14 11.658 -7.330 6.538 113 1HD1 LEU 14 1HD1 LEU 14 9.629 -8.692 6.446 114 2HD1 LEU 14 2HD1 LEU 14 8.692 -7.263 6.005 115 3HD1 LEU 14 3HD1 LEU 14 9.466 -7.358 7.587 116 1HD2 LEU 14 1HD2 LEU 14 12.070 -7.483 4.314 117 2HD2 LEU 14 2HD2 LEU 14 10.573 -6.665 3.866 118 3HD2 LEU 14 3HD2 LEU 14 10.540 -8.358 4.363 119 H ILE 15 H ILE 15 10.455 -4.905 9.253 120 HA ILE 15 HA ILE 15 12.295 -6.819 10.492 121 HB ILE 15 HB ILE 15 10.180 -5.010 11.657 122 1HG1 ILE 15 2HG1 ILE 15 12.382 -4.500 13.071 123 2HG1 ILE 15 1HG1 ILE 15 13.156 -5.104 11.610 124 1HG2 ILE 15 1HG2 ILE 15 11.727 -7.197 13.037 125 2HG2 ILE 15 2HG2 ILE 15 9.977 -7.080 12.855 126 3HG2 ILE 15 3HG2 ILE 15 10.837 -5.926 13.875 127 1HD1 ILE 15 1HD1 ILE 15 12.708 -2.573 11.876 128 2HD1 ILE 15 2HD1 ILE 15 11.056 -2.997 11.420 129 3HD1 ILE 15 3HD1 ILE 15 12.392 -3.356 10.326 130 H LYS 16 H LYS 16 8.815 -6.293 9.959 131 HA LYS 16 HA LYS 16 8.267 -8.947 9.271 132 1HB LYS 16 2HB LYS 16 8.436 -8.470 12.122 133 2HB LYS 16 1HB LYS 16 6.823 -9.007 11.670 134 1HG LYS 16 2HG LYS 16 9.220 -10.475 10.665 135 2HG LYS 16 1HG LYS 16 8.630 -10.749 12.305 136 1HD LYS 16 2HD LYS 16 7.321 -12.293 11.319 137 2HD LYS 16 1HD LYS 16 6.319 -10.903 10.898 138 1HE LYS 16 2HE LYS 16 6.542 -11.646 8.793 139 2HE LYS 16 1HE LYS 16 8.136 -10.894 8.872 140 1HZ LYS 16 1HZ LYS 16 8.304 -13.146 8.062 141 2HZ LYS 16 2HZ LYS 16 7.518 -13.744 9.435 142 3HZ LYS 16 3HZ LYS 16 9.047 -13.035 9.578 143 H ALA 17 H ALA 17 6.365 -8.985 8.235 144 HA ALA 17 HA ALA 17 4.737 -6.620 8.201 145 1HB ALA 17 1HB ALA 17 5.229 -8.039 6.192 146 2HB ALA 17 2HB ALA 17 3.523 -7.659 6.436 147 3HB ALA 17 3HB ALA 17 4.143 -9.253 6.867 148 H ILE 18 H ILE 18 2.674 -6.343 8.991 149 HA ILE 18 HA ILE 18 1.814 -8.336 10.966 150 HB ILE 18 HB ILE 18 0.683 -5.562 10.721 151 1HG1 ILE 18 2HG1 ILE 18 3.110 -6.416 12.319 152 2HG1 ILE 18 1HG1 ILE 18 3.124 -5.345 10.922 153 1HG2 ILE 18 1HG2 ILE 18 0.907 -7.495 13.022 154 2HG2 ILE 18 2HG2 ILE 18 -0.550 -7.146 12.091 155 3HG2 ILE 18 3HG2 ILE 18 0.179 -5.890 13.093 156 1HD1 ILE 18 1HD1 ILE 18 2.762 -4.698 13.657 157 2HD1 ILE 18 2HD1 ILE 18 1.284 -4.286 12.787 158 3HD1 ILE 18 3HD1 ILE 18 2.830 -3.619 12.264 159 H ASP 19 H ASP 19 0.165 -6.026 8.780 160 HA ASP 19 HA ASP 19 -1.601 -8.191 7.919 161 1HB ASP 19 2HB ASP 19 -2.428 -5.756 9.433 162 2HB ASP 19 1HB ASP 19 -3.502 -6.364 8.177 163 H GLY 20 H GLY 20 0.278 -7.336 6.270 164 1HA GLY 20 2HA GLY 20 0.567 -6.587 4.118 165 2HA GLY 20 1HA GLY 20 -1.168 -6.333 4.055 166 H ASP 21 H ASP 21 -1.874 -4.333 5.425 167 HA ASP 21 HA ASP 21 -0.375 -2.093 4.384 168 1HB ASP 21 2HB ASP 21 -2.268 -0.743 5.249 169 2HB ASP 21 1HB ASP 21 -2.796 -2.041 4.182 170 H THR 22 H THR 22 -0.205 -3.931 7.125 171 HA THR 22 HA THR 22 0.999 -1.718 8.632 172 HB THR 22 HB THR 22 -0.373 -4.059 9.948 173 HG1 THR 22 1HG THR 22 -2.153 -3.172 9.285 174 1HG2 THR 22 1HG2 THR 22 1.206 -2.728 11.311 175 2HG2 THR 22 2HG2 THR 22 -0.457 -2.681 11.897 176 3HG2 THR 22 3HG2 THR 22 0.205 -1.308 11.010 177 H VAL 23 H VAL 23 3.132 -2.093 8.416 178 HA VAL 23 HA VAL 23 4.131 -4.716 9.253 179 HB VAL 23 HB VAL 23 4.159 -4.961 6.893 180 1HG1 VAL 23 1HG1 VAL 23 5.315 -3.279 5.430 181 2HG1 VAL 23 2HG1 VAL 23 5.335 -2.193 6.820 182 3HG1 VAL 23 3HG1 VAL 23 3.797 -2.739 6.149 183 1HG2 VAL 23 1HG2 VAL 23 6.298 -5.648 6.656 184 2HG2 VAL 23 2HG2 VAL 23 6.406 -5.207 8.360 185 3HG2 VAL 23 3HG2 VAL 23 6.966 -4.083 7.121 186 H LYS 24 H LYS 24 6.077 -4.689 10.300 187 HA LYS 24 HA LYS 24 6.981 -2.100 11.233 188 1HB LYS 24 2HB LYS 24 7.588 -4.944 11.987 189 2HB LYS 24 1HB LYS 24 8.605 -3.631 12.564 190 1HG LYS 24 2HG LYS 24 6.217 -2.644 13.244 191 2HG LYS 24 1HG LYS 24 5.846 -4.368 13.315 192 1HD LYS 24 2HD LYS 24 6.615 -4.105 15.437 193 2HD LYS 24 1HD LYS 24 8.161 -4.396 14.636 194 1HE LYS 24 2HE LYS 24 8.880 -2.303 15.006 195 2HE LYS 24 1HE LYS 24 7.315 -1.596 14.608 196 1HZ LYS 24 1HZ LYS 24 8.133 -2.784 17.200 197 2HZ LYS 24 2HZ LYS 24 6.548 -2.320 16.838 198 3HZ LYS 24 3HZ LYS 24 7.776 -1.160 16.886 199 H LEU 25 H LEU 25 8.349 -0.996 10.008 200 HA LEU 25 HA LEU 25 10.451 -2.456 8.548 201 1HB LEU 25 2HB LEU 25 8.585 -0.705 7.565 202 2HB LEU 25 1HB LEU 25 9.968 0.342 7.814 203 HG LEU 25 HG LEU 25 10.435 -2.217 6.376 204 1HD1 LEU 25 1HD1 LEU 25 8.614 -0.097 5.464 205 2HD1 LEU 25 2HD1 LEU 25 8.742 -1.783 4.962 206 3HD1 LEU 25 3HD1 LEU 25 9.854 -0.581 4.307 207 1HD2 LEU 25 1HD2 LEU 25 11.697 -0.249 5.022 208 2HD2 LEU 25 2HD2 LEU 25 12.401 -1.120 6.385 209 3HD2 LEU 25 3HD2 LEU 25 11.643 0.452 6.638 210 H MET 26 H MET 26 12.542 -1.971 8.869 211 HA MET 26 HA MET 26 13.195 -0.265 11.117 212 1HB MET 26 2HB MET 26 14.227 -2.628 10.262 213 2HB MET 26 1HB MET 26 15.380 -1.502 9.560 214 1HG MET 26 2HG MET 26 15.785 -0.538 11.765 215 2HG MET 26 1HG MET 26 14.625 -1.663 12.470 216 1HE MET 26 1HE MET 26 15.056 -3.686 13.365 217 2HE MET 26 2HE MET 26 16.452 -4.745 13.158 218 3HE MET 26 3HE MET 26 15.227 -4.644 11.894 219 H TYR 27 H TYR 27 13.238 1.846 10.677 220 HA TYR 27 HA TYR 27 14.591 2.736 8.220 221 1HB TYR 27 2HB TYR 27 12.247 3.441 8.385 222 2HB TYR 27 1HB TYR 27 12.574 4.195 9.942 223 HD1 TYR 27 2HD TYR 27 14.006 6.223 10.052 224 HD2 TYR 27 1HD TYR 27 12.780 4.545 6.340 225 HE1 TYR 27 2HE TYR 27 14.588 8.325 8.917 226 HE2 TYR 27 1HE TYR 27 13.360 6.642 5.194 227 HH TYR 27 HH TYR 27 13.670 8.984 5.684 228 H LYS 28 H LYS 28 16.177 4.290 8.314 229 HA LYS 28 HA LYS 28 18.092 5.171 9.182 230 1HB LYS 28 2HB LYS 28 17.732 7.054 10.514 231 2HB LYS 28 1HB LYS 28 16.208 6.840 9.670 232 1HG LYS 28 2HG LYS 28 15.129 6.786 11.600 233 2HG LYS 28 1HG LYS 28 16.081 5.395 12.117 234 1HD LYS 28 2HD LYS 28 17.898 7.128 12.691 235 2HD LYS 28 1HD LYS 28 16.589 8.309 12.594 236 1HE LYS 28 2HE LYS 28 15.461 7.394 14.406 237 2HE LYS 28 1HE LYS 28 16.279 5.840 14.255 238 1HZ LYS 28 1HZ LYS 28 17.866 8.224 14.901 239 2HZ LYS 28 2HZ LYS 28 18.133 6.609 15.325 240 3HZ LYS 28 3HZ LYS 28 16.941 7.506 16.123 241 H GLY 29 H GLY 29 17.388 2.508 10.236 242 1HA GLY 29 2HA GLY 29 18.645 1.108 11.615 243 2HA GLY 29 1HA GLY 29 19.286 2.525 12.429 244 H GLN 30 H GLN 30 15.850 2.360 12.113 245 HA GLN 30 HA GLN 30 15.605 1.207 14.796 246 1HB GLN 30 2HB GLN 30 14.180 2.967 15.585 247 2HB GLN 30 1HB GLN 30 15.666 3.691 14.990 248 1HG GLN 30 2HG GLN 30 14.625 4.600 13.127 249 2HG GLN 30 1HG GLN 30 13.252 3.502 13.234 250 1HE2 GLN 30 1HE2 GLN 30 11.481 4.554 13.735 251 2HE2 GLN 30 2HE2 GLN 30 11.347 5.850 14.869 252 H ALA 31 H ALA 31 13.907 -0.112 15.070 253 HA ALA 31 HA ALA 31 12.298 -0.754 12.766 254 1HB ALA 31 1HB ALA 31 12.446 -1.929 15.534 255 2HB ALA 31 2HB ALA 31 13.114 -2.592 14.043 256 3HB ALA 31 3HB ALA 31 11.366 -2.525 14.274 257 H MET 32 H MET 32 10.605 0.485 12.301 258 HA MET 32 HA MET 32 8.803 1.259 14.499 259 1HB MET 32 2HB MET 32 8.268 3.308 13.306 260 2HB MET 32 1HB MET 32 10.000 3.213 13.592 261 1HG MET 32 2HG MET 32 10.366 2.514 11.302 262 2HG MET 32 1HG MET 32 8.629 2.526 11.004 263 1HE MET 32 1HE MET 32 7.717 6.083 10.348 264 2HE MET 32 2HE MET 32 7.173 4.832 11.465 265 3HE MET 32 3HE MET 32 7.560 4.415 9.795 266 H THR 33 H THR 33 6.552 1.346 13.988 267 HA THR 33 HA THR 33 5.765 -0.719 12.144 268 HB THR 33 HB THR 33 3.857 1.080 13.610 269 HG1 THR 33 1HG THR 33 5.123 0.505 15.263 270 1HG2 THR 33 1HG2 THR 33 2.815 -1.292 13.955 271 2HG2 THR 33 2HG2 THR 33 3.779 -1.687 12.532 272 3HG2 THR 33 3HG2 THR 33 2.571 -0.405 12.451 273 H PHE 34 H PHE 34 5.642 -0.297 10.046 274 HA PHE 34 HA PHE 34 4.854 2.366 9.134 275 1HB PHE 34 2HB PHE 34 6.320 0.068 7.935 276 2HB PHE 34 1HB PHE 34 5.407 1.107 6.844 277 HD1 PHE 34 2HD PHE 34 8.200 0.957 9.218 278 HD2 PHE 34 1HD PHE 34 6.115 3.338 6.374 279 HE1 PHE 34 2HE PHE 34 10.064 2.563 9.203 280 HE2 PHE 34 1HE PHE 34 7.974 4.949 6.354 281 HZ PHE 34 HZ PHE 34 9.952 4.564 7.771 282 H ARG 35 H ARG 35 3.154 2.708 7.682 283 HA ARG 35 HA ARG 35 1.344 0.465 7.193 284 1HB ARG 35 2HB ARG 35 0.780 2.882 8.817 285 2HB ARG 35 1HB ARG 35 -0.486 2.366 7.711 286 1HG ARG 35 2HG ARG 35 -0.016 0.018 8.816 287 2HG ARG 35 1HG ARG 35 0.583 1.027 10.135 288 1HD ARG 35 2HD ARG 35 -1.641 0.778 10.700 289 2HD ARG 35 1HD ARG 35 -1.659 2.304 9.819 290 HE ARG 35 HE ARG 35 -2.166 0.006 8.168 291 1HH1 ARG 35 1HH1 ARG 35 -3.603 2.392 10.271 292 2HH1 ARG 35 2HH1 ARG 35 -5.180 2.242 9.569 293 1HH2 ARG 35 1HH2 ARG 35 -4.238 -0.191 7.245 294 2HH2 ARG 35 2HH2 ARG 35 -5.540 0.776 7.852 295 H LEU 36 H LEU 36 0.492 0.468 5.197 296 HA LEU 36 HA LEU 36 1.414 2.237 3.232 297 1HB LEU 36 2HB LEU 36 -0.334 -0.064 3.373 298 2HB LEU 36 1HB LEU 36 -0.944 1.122 2.237 299 HG LEU 36 HG LEU 36 1.929 0.334 2.070 300 1HD1 LEU 36 1HD1 LEU 36 1.263 -1.494 0.512 301 2HD1 LEU 36 2HD1 LEU 36 -0.393 -1.315 1.091 302 3HD1 LEU 36 3HD1 LEU 36 0.882 -1.810 2.205 303 1HD2 LEU 36 1HD2 LEU 36 0.398 2.077 0.676 304 2HD2 LEU 36 2HD2 LEU 36 0.231 0.624 -0.310 305 3HD2 LEU 36 3HD2 LEU 36 1.832 1.278 0.033 306 H LEU 37 H LEU 37 0.675 4.117 2.433 307 HA LEU 37 HA LEU 37 -1.496 5.422 3.830 308 1HB LEU 37 2HB LEU 37 0.809 6.226 2.262 309 2HB LEU 37 1HB LEU 37 -0.631 7.109 1.789 310 HG LEU 37 HG LEU 37 0.412 6.932 4.616 311 1HD1 LEU 37 1HD1 LEU 37 1.976 8.338 3.832 312 2HD1 LEU 37 2HD1 LEU 37 0.672 9.524 3.883 313 3HD1 LEU 37 3HD1 LEU 37 1.062 8.708 2.370 314 1HD2 LEU 37 1HD2 LEU 37 -2.123 7.425 3.887 315 2HD2 LEU 37 2HD2 LEU 37 -1.452 9.050 3.746 316 3HD2 LEU 37 3HD2 LEU 37 -1.350 8.184 5.279 317 H LEU 38 H LEU 38 -3.510 5.688 3.107 318 HA LEU 38 HA LEU 38 -5.360 5.617 1.793 319 1HB LEU 38 2HB LEU 38 -3.215 6.349 -0.139 320 2HB LEU 38 1HB LEU 38 -4.779 5.887 -0.781 321 HG LEU 38 HG LEU 38 -4.362 8.101 1.226 322 1HD1 LEU 38 1HD1 LEU 38 -4.361 8.071 -1.752 323 2HD1 LEU 38 2HD1 LEU 38 -3.379 9.015 -0.632 324 3HD1 LEU 38 3HD1 LEU 38 -5.066 9.448 -0.907 325 1HD2 LEU 38 1HD2 LEU 38 -6.682 8.710 0.321 326 2HD2 LEU 38 2HD2 LEU 38 -6.565 7.364 1.453 327 3HD2 LEU 38 3HD2 LEU 38 -6.737 7.052 -0.273 328 H VAL 39 H VAL 39 -4.113 3.152 2.509 329 HA VAL 39 HA VAL 39 -5.244 1.465 0.404 330 HB VAL 39 HB VAL 39 -2.660 0.576 1.617 331 1HG1 VAL 39 1HG1 VAL 39 -4.439 -0.211 -0.581 332 2HG1 VAL 39 2HG1 VAL 39 -3.373 -1.189 0.428 333 3HG1 VAL 39 3HG1 VAL 39 -2.715 -0.298 -0.944 334 1HG2 VAL 39 1HG2 VAL 39 -2.970 2.527 -0.645 335 2HG2 VAL 39 2HG2 VAL 39 -1.566 1.467 -0.517 336 3HG2 VAL 39 3HG2 VAL 39 -1.914 2.626 0.764 337 H ASP 40 H ASP 40 -5.765 -0.685 1.124 338 HA ASP 40 HA ASP 40 -5.687 -1.126 4.014 339 1HB ASP 40 2HB ASP 40 -8.021 -0.286 2.625 340 2HB ASP 40 1HB ASP 40 -8.253 -1.976 3.063 341 H THR 41 H THR 41 -4.583 -2.970 4.128 342 HA THR 41 HA THR 41 -5.324 -5.150 2.288 343 HB THR 41 HB THR 41 -2.653 -4.764 3.646 344 HG1 THR 41 1HG THR 41 -2.955 -3.137 2.122 345 1HG2 THR 41 1HG2 THR 41 -3.479 -6.573 1.392 346 2HG2 THR 41 2HG2 THR 41 -3.071 -7.066 3.035 347 3HG2 THR 41 3HG2 THR 41 -1.836 -6.358 1.996 348 H ALA 42 H ALA 42 -6.958 -5.126 4.274 349 HA ALA 42 HA ALA 42 -6.696 -7.536 5.600 350 1HB ALA 42 1HB ALA 42 -5.473 -5.257 7.052 351 2HB ALA 42 2HB ALA 42 -5.056 -6.970 7.072 352 3HB ALA 42 3HB ALA 42 -6.445 -6.391 7.991 353 H GLU 43 H GLU 43 -8.403 -7.917 7.184 354 HA GLU 43 HA GLU 43 -10.347 -5.921 7.759 355 1HB GLU 43 2HB GLU 43 -10.619 -6.702 5.227 356 2HB GLU 43 1HB GLU 43 -11.501 -8.018 5.988 357 1HG GLU 43 2HG GLU 43 -12.965 -6.186 5.284 358 2HG GLU 43 1HG GLU 43 -13.020 -6.461 7.024 359 H THR 44 H THR 44 -8.832 -7.931 9.150 360 HA THR 44 HA THR 44 -10.609 -10.082 9.839 361 HB THR 44 HB THR 44 -8.916 -10.648 11.529 362 HG1 THR 44 1HG THR 44 -7.562 -8.317 10.659 363 1HG2 THR 44 1HG2 THR 44 -6.945 -10.105 9.557 364 2HG2 THR 44 2HG2 THR 44 -8.446 -10.566 8.753 365 3HG2 THR 44 3HG2 THR 44 -7.725 -11.635 9.958 366 H LYS 45 H LYS 45 -12.459 -8.720 10.381 367 HA LYS 45 HA LYS 45 -12.361 -7.921 13.202 368 1HB LYS 45 2HB LYS 45 -13.933 -6.016 12.592 369 2HB LYS 45 1HB LYS 45 -12.249 -5.821 12.125 370 1HG LYS 45 2HG LYS 45 -12.970 -5.353 10.083 371 2HG LYS 45 1HG LYS 45 -13.430 -7.051 9.935 372 1HD LYS 45 2HD LYS 45 -15.628 -6.599 10.135 373 2HD LYS 45 1HD LYS 45 -15.364 -5.367 11.371 374 1HE LYS 45 2HE LYS 45 -15.078 -3.688 9.827 375 2HE LYS 45 1HE LYS 45 -14.545 -4.796 8.563 376 1HZ LYS 45 1HZ LYS 45 -16.742 -5.487 8.167 377 2HZ LYS 45 2HZ LYS 45 -16.820 -3.801 8.278 378 3HZ LYS 45 3HZ LYS 45 -17.327 -4.756 9.578 379 H HIS 46 H HIS 46 -13.242 -10.303 12.810 380 HA HIS 46 HA HIS 46 -14.990 -11.714 13.159 381 1HB HIS 46 2HB HIS 46 -15.971 -9.118 14.097 382 2HB HIS 46 1HB HIS 46 -17.258 -10.204 13.585 383 HD1 HIS 46 1HD HIS 46 -15.419 -9.334 16.485 384 HD2 HIS 46 2HD HIS 46 -16.823 -12.911 14.904 385 HE1 HIS 46 1HE HIS 46 -15.459 -10.950 18.412 386 HE2 HIS 46 2HE HIS 46 -16.237 -13.129 17.414 387 H THR 47 H THR 47 -15.128 -12.574 11.119 388 HA THR 47 HA THR 47 -17.510 -12.119 9.676 389 HB THR 47 HB THR 47 -16.018 -11.544 7.513 390 HG1 THR 47 1HG THR 47 -14.094 -11.250 8.572 391 1HG2 THR 47 1HG2 THR 47 -17.909 -10.183 8.981 392 2HG2 THR 47 2HG2 THR 47 -17.238 -9.698 7.423 393 3HG2 THR 47 3HG2 THR 47 -16.543 -9.070 8.918 394 H LYS 48 H LYS 48 -17.274 -14.403 10.360 395 HA LYS 48 HA LYS 48 -17.244 -16.563 9.641 396 1HB LYS 48 2HB LYS 48 -17.277 -15.510 7.302 397 2HB LYS 48 1HB LYS 48 -15.535 -15.770 7.296 398 1HG LYS 48 2HG LYS 48 -15.898 -18.151 7.671 399 2HG LYS 48 1HG LYS 48 -17.640 -17.883 7.638 400 1HD LYS 48 2HD LYS 48 -17.551 -17.180 5.345 401 2HD LYS 48 1HD LYS 48 -15.786 -17.199 5.359 402 1HE LYS 48 2HE LYS 48 -16.216 -19.725 6.074 403 2HE LYS 48 1HE LYS 48 -17.718 -19.447 5.193 404 1HZ LYS 48 1HZ LYS 48 -15.285 -18.566 3.872 405 2HZ LYS 48 2HZ LYS 48 -16.650 -19.333 3.230 406 3HZ LYS 48 3HZ LYS 48 -15.469 -20.241 4.032 407 H LYS 49 H LYS 49 -14.339 -14.655 9.596 408 HA LYS 49 HA LYS 49 -12.911 -16.127 11.424 409 1HB LYS 49 2HB LYS 49 -11.239 -17.287 9.940 410 2HB LYS 49 1HB LYS 49 -12.837 -18.018 9.963 411 1HG LYS 49 2HG LYS 49 -12.768 -16.105 7.864 412 2HG LYS 49 1HG LYS 49 -11.333 -17.122 7.740 413 1HD LYS 49 2HD LYS 49 -13.991 -18.395 8.210 414 2HD LYS 49 1HD LYS 49 -13.577 -17.835 6.589 415 1HE LYS 49 2HE LYS 49 -12.070 -19.476 6.274 416 2HE LYS 49 1HE LYS 49 -11.476 -19.386 7.932 417 1HZ LYS 49 1HZ LYS 49 -13.791 -20.462 8.432 418 2HZ LYS 49 2HZ LYS 49 -12.481 -21.416 7.949 419 3HZ LYS 49 3HZ LYS 49 -13.670 -20.983 6.827 420 H GLY 50 H GLY 50 -12.793 -14.227 8.484 421 1HA GLY 50 2HA GLY 50 -11.813 -11.970 8.789 422 2HA GLY 50 1HA GLY 50 -10.473 -12.770 9.593 423 H VAL 51 H VAL 51 -11.647 -14.538 6.942 424 HA VAL 51 HA VAL 51 -9.645 -13.335 5.152 425 HB VAL 51 HB VAL 51 -10.084 -16.308 5.427 426 1HG1 VAL 51 1HG1 VAL 51 -9.218 -16.135 3.337 427 2HG1 VAL 51 2HG1 VAL 51 -7.705 -16.062 4.240 428 3HG1 VAL 51 3HG1 VAL 51 -8.458 -14.576 3.661 429 1HG2 VAL 51 1HG2 VAL 51 -7.656 -16.124 6.348 430 2HG2 VAL 51 2HG2 VAL 51 -9.023 -15.823 7.421 431 3HG2 VAL 51 3HG2 VAL 51 -8.124 -14.470 6.735 432 H GLU 52 H GLU 52 -12.821 -13.907 5.533 433 HA GLU 52 HA GLU 52 -13.666 -15.165 3.187 434 1HB GLU 52 2HB GLU 52 -15.819 -14.085 3.578 435 2HB GLU 52 1HB GLU 52 -15.153 -14.709 5.081 436 1HG GLU 52 2HG GLU 52 -15.234 -12.708 6.017 437 2HG GLU 52 1HG GLU 52 -14.312 -11.998 4.693 438 H LYS 53 H LYS 53 -12.287 -12.052 3.664 439 HA LYS 53 HA LYS 53 -12.965 -11.338 0.886 440 1HB LYS 53 2HB LYS 53 -12.612 -8.934 1.684 441 2HB LYS 53 1HB LYS 53 -14.091 -9.738 2.190 442 1HG LYS 53 2HG LYS 53 -11.936 -10.132 4.088 443 2HG LYS 53 1HG LYS 53 -12.288 -8.423 3.816 444 1HD LYS 53 2HD LYS 53 -14.664 -10.115 4.126 445 2HD LYS 53 1HD LYS 53 -13.631 -10.043 5.555 446 1HE LYS 53 2HE LYS 53 -14.140 -7.892 5.967 447 2HE LYS 53 1HE LYS 53 -14.117 -7.456 4.260 448 1HZ LYS 53 1HZ LYS 53 -16.333 -7.550 5.712 449 2HZ LYS 53 2HZ LYS 53 -16.327 -9.133 5.120 450 3HZ LYS 53 3HZ LYS 53 -16.312 -7.828 4.043 451 H TYR 54 H TYR 54 -10.762 -12.920 1.502 452 HA TYR 54 HA TYR 54 -8.529 -13.108 1.112 453 1HB TYR 54 2HB TYR 54 -9.092 -10.508 -0.315 454 2HB TYR 54 1HB TYR 54 -7.513 -11.288 -0.347 455 HD1 TYR 54 2HD TYR 54 -11.013 -11.538 -1.437 456 HD2 TYR 54 1HD TYR 54 -7.140 -13.286 -1.640 457 HE1 TYR 54 2HE TYR 54 -11.750 -12.938 -3.321 458 HE2 TYR 54 1HE TYR 54 -7.865 -14.690 -3.524 459 HH TYR 54 HH TYR 54 -10.193 -14.184 -5.407 460 H GLY 55 H GLY 55 -9.220 -12.160 3.631 461 1HA GLY 55 2HA GLY 55 -7.677 -9.840 4.318 462 2HA GLY 55 1HA GLY 55 -8.440 -10.954 5.441 463 H ALA 56 H ALA 56 -7.292 -13.284 5.173 464 HA ALA 56 HA ALA 56 -4.739 -12.966 6.321 465 1HB ALA 56 1HB ALA 56 -6.075 -15.416 5.180 466 2HB ALA 56 2HB ALA 56 -6.082 -14.884 6.861 467 3HB ALA 56 3HB ALA 56 -4.581 -15.434 6.118 468 H GLU 57 H GLU 57 -5.730 -14.069 3.088 469 HA GLU 57 HA GLU 57 -3.217 -14.645 2.054 470 1HB GLU 57 2HB GLU 57 -5.335 -15.200 0.926 471 2HB GLU 57 1HB GLU 57 -5.599 -13.493 0.591 472 1HG GLU 57 2HG GLU 57 -4.610 -13.874 -1.357 473 2HG GLU 57 1HG GLU 57 -3.100 -13.938 -0.449 474 H ALA 58 H ALA 58 -4.804 -11.578 2.544 475 HA ALA 58 HA ALA 58 -3.278 -9.952 0.861 476 1HB ALA 58 1HB ALA 58 -4.420 -8.255 1.792 477 2HB ALA 58 2HB ALA 58 -4.018 -8.752 3.436 478 3HB ALA 58 3HB ALA 58 -5.343 -9.537 2.577 479 H SER 59 H SER 59 -2.755 -10.844 4.257 480 HA SER 59 HA SER 59 -0.366 -9.364 4.577 481 1HB SER 59 2HB SER 59 -1.897 -10.340 6.397 482 2HB SER 59 1HB SER 59 -1.038 -11.858 6.133 483 HG SER 59 HG SER 59 0.848 -10.892 6.780 484 H ALA 60 H ALA 60 -1.042 -12.613 3.443 485 HA ALA 60 HA ALA 60 1.556 -13.662 3.581 486 1HB ALA 60 1HB ALA 60 0.160 -15.371 3.139 487 2HB ALA 60 2HB ALA 60 0.523 -14.976 1.458 488 3HB ALA 60 3HB ALA 60 -0.950 -14.363 2.210 489 H PHE 61 H PHE 61 -0.124 -12.005 0.916 490 HA PHE 61 HA PHE 61 1.977 -12.186 -0.943 491 1HB PHE 61 2HB PHE 61 -0.186 -11.647 -1.771 492 2HB PHE 61 1HB PHE 61 -0.342 -10.273 -0.683 493 HD1 PHE 61 1HD PHE 61 2.646 -11.065 -2.709 494 HD2 PHE 61 2HD PHE 61 -0.791 -8.595 -2.274 495 HE1 PHE 61 1HE PHE 61 3.501 -9.572 -4.468 496 HE2 PHE 61 2HE PHE 61 0.059 -7.098 -4.032 497 HZ PHE 61 HZ PHE 61 2.205 -7.584 -5.130 498 H THR 62 H THR 62 1.145 -9.659 1.402 499 HA THR 62 HA THR 62 3.295 -7.942 0.624 500 HB THR 62 HB THR 62 1.817 -7.886 3.255 501 HG1 THR 62 1HG THR 62 0.352 -6.490 2.144 502 1HG2 THR 62 1HG2 THR 62 2.072 -5.329 2.552 503 2HG2 THR 62 2HG2 THR 62 3.517 -5.982 1.780 504 3HG2 THR 62 3HG2 THR 62 3.274 -6.189 3.514 505 H LYS 63 H LYS 63 2.845 -10.472 2.983 506 HA LYS 63 HA LYS 63 5.207 -9.949 4.485 507 1HB LYS 63 2HB LYS 63 3.407 -11.160 5.511 508 2HB LYS 63 1HB LYS 63 3.432 -12.377 4.246 509 1HG LYS 63 2HG LYS 63 5.987 -12.496 5.241 510 2HG LYS 63 1HG LYS 63 5.015 -12.170 6.677 511 1HD LYS 63 2HD LYS 63 3.524 -14.070 5.404 512 2HD LYS 63 1HD LYS 63 5.169 -14.574 5.010 513 1HE LYS 63 2HE LYS 63 5.649 -14.277 7.512 514 2HE LYS 63 1HE LYS 63 3.898 -14.254 7.710 515 1HZ LYS 63 1HZ LYS 63 4.979 -16.439 6.126 516 2HZ LYS 63 2HZ LYS 63 3.730 -16.442 7.267 517 3HZ LYS 63 3HZ LYS 63 5.341 -16.475 7.779 518 H LYS 64 H LYS 64 4.409 -12.193 1.854 519 HA LYS 64 HA LYS 64 7.031 -13.349 1.798 520 1HB LYS 64 2HB LYS 64 6.254 -14.478 -0.246 521 2HB LYS 64 1HB LYS 64 5.111 -14.655 1.079 522 1HG LYS 64 2HG LYS 64 3.535 -13.975 -0.318 523 2HG LYS 64 1HG LYS 64 4.269 -12.373 -0.253 524 1HD LYS 64 2HD LYS 64 5.151 -12.555 -2.318 525 2HD LYS 64 1HD LYS 64 5.562 -14.259 -2.101 526 1HE LYS 64 2HE LYS 64 2.842 -14.358 -2.159 527 2HE LYS 64 1HE LYS 64 3.167 -13.023 -3.265 528 1HZ LYS 64 1HZ LYS 64 4.805 -15.395 -3.622 529 2HZ LYS 64 2HZ LYS 64 4.097 -14.385 -4.777 530 3HZ LYS 64 3HZ LYS 64 3.167 -15.570 -4.009 531 H MET 65 H MET 65 5.370 -10.783 0.076 532 HA MET 65 HA MET 65 7.308 -10.458 -1.973 533 1HB MET 65 2HB MET 65 5.018 -9.620 -2.203 534 2HB MET 65 1HB MET 65 5.284 -8.495 -0.880 535 1HG MET 65 2HG MET 65 5.782 -7.024 -2.472 536 2HG MET 65 1HG MET 65 7.327 -7.865 -2.571 537 1HE MET 65 1HE MET 65 7.919 -9.606 -3.974 538 2HE MET 65 2HE MET 65 7.473 -9.669 -5.679 539 3HE MET 65 3HE MET 65 6.622 -10.674 -4.507 540 H VAL 66 H VAL 66 6.912 -9.111 1.248 541 HA VAL 66 HA VAL 66 9.067 -7.218 0.905 542 HB VAL 66 HB VAL 66 8.739 -6.669 3.259 543 1HG1 VAL 66 1HG1 VAL 66 7.298 -5.406 1.996 544 2HG1 VAL 66 2HG1 VAL 66 6.166 -6.223 3.075 545 3HG1 VAL 66 3HG1 VAL 66 6.394 -6.809 1.427 546 1HG2 VAL 66 1HG2 VAL 66 6.717 -7.835 4.381 547 2HG2 VAL 66 2HG2 VAL 66 8.281 -8.649 4.377 548 3HG2 VAL 66 3HG2 VAL 66 7.036 -9.129 3.227 549 H GLU 67 H GLU 67 8.577 -10.260 2.669 550 HA GLU 67 HA GLU 67 11.166 -10.332 3.815 551 1HB GLU 67 2HB GLU 67 8.988 -12.346 3.404 552 2HB GLU 67 1HB GLU 67 10.572 -12.878 3.951 553 1HG GLU 67 2HG GLU 67 9.555 -10.602 5.452 554 2HG GLU 67 1HG GLU 67 8.513 -12.022 5.546 555 H ASN 68 H ASN 68 9.834 -11.529 0.790 556 HA ASN 68 HA ASN 68 12.243 -12.957 0.093 557 1HB ASN 68 2HB ASN 68 9.837 -13.545 -0.618 558 2HB ASN 68 1HB ASN 68 10.018 -12.264 -1.812 559 1HD2 ASN 68 1HD2 ASN 68 10.074 -15.436 -1.544 560 2HD2 ASN 68 2HD2 ASN 68 11.265 -15.854 -2.722 561 H ALA 69 H ALA 69 10.854 -9.814 -0.496 562 HA ALA 69 HA ALA 69 12.285 -9.027 -2.752 563 1HB ALA 69 1HB ALA 69 10.925 -7.628 -0.528 564 2HB ALA 69 2HB ALA 69 10.706 -7.476 -2.271 565 3HB ALA 69 3HB ALA 69 12.072 -6.687 -1.482 566 H LYS 70 H LYS 70 13.145 -8.708 0.679 567 HA LYS 70 HA LYS 70 15.222 -8.793 1.668 568 1HB LYS 70 2HB LYS 70 16.546 -8.355 -1.001 569 2HB LYS 70 1HB LYS 70 17.238 -9.045 0.460 570 1HG LYS 70 2HG LYS 70 14.964 -10.580 -0.426 571 2HG LYS 70 1HG LYS 70 16.165 -10.417 -1.708 572 1HD LYS 70 2HD LYS 70 17.901 -11.188 -0.114 573 2HD LYS 70 1HD LYS 70 16.635 -11.452 1.086 574 1HE LYS 70 2HE LYS 70 15.895 -13.333 0.081 575 2HE LYS 70 1HE LYS 70 16.178 -12.701 -1.540 576 1HZ LYS 70 1HZ LYS 70 18.137 -13.947 0.296 577 2HZ LYS 70 2HZ LYS 70 18.613 -13.053 -1.057 578 3HZ LYS 70 3HZ LYS 70 17.689 -14.455 -1.253 579 H LYS 71 H LYS 71 14.436 -6.407 -0.763 580 HA LYS 71 HA LYS 71 15.696 -4.353 0.930 581 1HB LYS 71 2HB LYS 71 16.948 -4.597 -1.158 582 2HB LYS 71 1HB LYS 71 15.473 -4.380 -2.088 583 1HG LYS 71 2HG LYS 71 15.498 -2.127 -0.553 584 2HG LYS 71 1HG LYS 71 17.219 -2.400 -0.835 585 1HD LYS 71 2HD LYS 71 15.514 -2.726 -3.205 586 2HD LYS 71 1HD LYS 71 15.558 -1.090 -2.544 587 1HE LYS 71 2HE LYS 71 17.332 -1.063 -4.023 588 2HE LYS 71 1HE LYS 71 18.127 -1.453 -2.499 589 1HZ LYS 71 1HZ LYS 71 18.631 -3.522 -3.188 590 2HZ LYS 71 2HZ LYS 71 18.492 -2.839 -4.729 591 3HZ LYS 71 3HZ LYS 71 17.202 -3.714 -4.073 592 H ILE 72 H ILE 72 14.261 -2.998 1.785 593 HA ILE 72 HA ILE 72 11.729 -2.562 0.345 594 HB ILE 72 HB ILE 72 12.045 -2.519 3.341 595 1HG1 ILE 72 2HG1 ILE 72 10.630 -4.679 3.103 596 2HG1 ILE 72 1HG1 ILE 72 11.242 -4.718 1.452 597 1HG2 ILE 72 1HG2 ILE 72 10.219 -1.154 2.448 598 2HG2 ILE 72 2HG2 ILE 72 9.609 -2.542 3.348 599 3HG2 ILE 72 3HG2 ILE 72 9.595 -2.558 1.584 600 1HD1 ILE 72 1HD1 ILE 72 13.022 -5.780 2.214 601 2HD1 ILE 72 2HD1 ILE 72 12.508 -5.542 3.884 602 3HD1 ILE 72 3HD1 ILE 72 13.478 -4.312 3.077 603 H GLU 73 H GLU 73 11.057 -0.532 0.043 604 HA GLU 73 HA GLU 73 12.458 1.650 1.427 605 1HB GLU 73 2HB GLU 73 11.916 1.421 -1.536 606 2HB GLU 73 1HB GLU 73 12.398 2.915 -0.748 607 1HG GLU 73 2HG GLU 73 14.543 2.266 -0.521 608 2HG GLU 73 1HG GLU 73 14.117 0.580 -0.238 609 H VAL 74 H VAL 74 11.187 3.367 2.021 610 HA VAL 74 HA VAL 74 8.350 3.234 1.225 611 HB VAL 74 HB VAL 74 7.763 4.157 3.432 612 1HG1 VAL 74 1HG1 VAL 74 9.326 1.753 4.147 613 2HG1 VAL 74 2HG1 VAL 74 8.199 1.591 2.801 614 3HG1 VAL 74 3HG1 VAL 74 7.615 2.109 4.383 615 1HG2 VAL 74 1HG2 VAL 74 9.273 4.979 4.843 616 2HG2 VAL 74 2HG2 VAL 74 10.499 4.712 3.606 617 3HG2 VAL 74 3HG2 VAL 74 10.191 3.473 4.823 618 H GLU 75 H GLU 75 7.238 5.184 0.959 619 HA GLU 75 HA GLU 75 8.903 7.610 0.882 620 1HB GLU 75 2HB GLU 75 8.665 6.765 -1.396 621 2HB GLU 75 1HB GLU 75 6.917 6.710 -1.213 622 1HG GLU 75 2HG GLU 75 6.685 8.875 -1.676 623 2HG GLU 75 1HG GLU 75 8.045 9.334 -0.651 624 H PHE 76 H PHE 76 8.096 9.052 2.248 625 HA PHE 76 HA PHE 76 5.336 8.912 3.101 626 1HB PHE 76 2HB PHE 76 7.681 10.619 3.918 627 2HB PHE 76 1HB PHE 76 6.057 10.915 4.528 628 HD1 PHE 76 1HD PHE 76 8.833 8.497 4.447 629 HD2 PHE 76 2HD PHE 76 5.106 9.548 6.215 630 HE1 PHE 76 1HE PHE 76 9.194 6.812 6.202 631 HE2 PHE 76 2HE PHE 76 5.461 7.865 7.972 632 HZ PHE 76 HZ PHE 76 7.508 6.494 7.968 633 H ASP 77 H ASP 77 3.786 10.526 2.852 634 HA ASP 77 HA ASP 77 4.305 12.374 0.622 635 1HB ASP 77 2HB ASP 77 1.966 10.750 1.425 636 2HB ASP 77 1HB ASP 77 1.604 12.369 0.834 637 H LYS 78 H LYS 78 2.384 14.199 0.825 638 HA LYS 78 HA LYS 78 3.292 15.926 2.850 639 1HB LYS 78 2HB LYS 78 0.784 16.062 1.167 640 2HB LYS 78 1HB LYS 78 1.390 17.376 2.165 641 1HG LYS 78 2HG LYS 78 2.362 18.039 0.258 642 2HG LYS 78 1HG LYS 78 3.583 16.840 0.689 643 1HD LYS 78 2HD LYS 78 2.927 15.394 -0.933 644 2HD LYS 78 1HD LYS 78 1.228 15.854 -0.807 645 1HE LYS 78 2HE LYS 78 2.129 18.122 -1.811 646 2HE LYS 78 1HE LYS 78 3.421 17.079 -2.403 647 1HZ LYS 78 1HZ LYS 78 2.043 16.022 -3.827 648 2HZ LYS 78 2HZ LYS 78 1.192 17.481 -3.746 649 3HZ LYS 78 3HZ LYS 78 0.688 16.156 -2.822 650 H GLY 79 H GLY 79 0.762 13.551 2.789 651 1HA GLY 79 2HA GLY 79 -0.929 14.468 4.800 652 2HA GLY 79 1HA GLY 79 -0.635 12.774 4.436 653 H GLN 80 H GLN 80 -1.063 12.773 6.858 654 HA GLN 80 HA GLN 80 1.071 13.693 8.550 655 1HB GLN 80 2HB GLN 80 -0.176 12.572 10.352 656 2HB GLN 80 1HB GLN 80 -1.209 13.630 9.401 657 1HG GLN 80 2HG GLN 80 -1.127 10.855 8.472 658 2HG GLN 80 1HG GLN 80 -1.800 11.073 10.087 659 1HE2 GLN 80 1HE2 GLN 80 -2.482 11.045 6.847 660 2HE2 GLN 80 2HE2 GLN 80 -3.994 11.879 6.873 661 H ARG 81 H ARG 81 2.652 12.501 9.548 662 HA ARG 81 HA ARG 81 3.510 10.129 8.192 663 1HB ARG 81 2HB ARG 81 4.971 11.977 9.225 664 2HB ARG 81 1HB ARG 81 4.672 11.178 10.763 665 1HG ARG 81 2HG ARG 81 5.526 9.057 9.565 666 2HG ARG 81 1HG ARG 81 6.195 10.189 8.389 667 1HD ARG 81 2HD ARG 81 6.758 10.994 11.118 668 2HD ARG 81 1HD ARG 81 7.370 9.378 10.767 669 HE ARG 81 HE ARG 81 8.016 11.314 8.746 670 1HH1 ARG 81 1HH1 ARG 81 8.995 9.942 11.802 671 2HH1 ARG 81 2HH1 ARG 81 10.662 10.365 11.599 672 1HH2 ARG 81 1HH2 ARG 81 10.207 11.872 8.479 673 2HH2 ARG 81 2HH2 ARG 81 11.351 11.461 9.714 674 H THR 82 H THR 82 1.731 10.817 11.083 675 HA THR 82 HA THR 82 1.522 7.936 11.601 676 HB THR 82 HB THR 82 1.759 8.214 13.956 677 HG1 THR 82 1HG THR 82 1.667 10.978 13.387 678 1HG2 THR 82 1HG2 THR 82 3.868 9.599 12.373 679 2HG2 THR 82 2HG2 THR 82 3.930 8.060 13.233 680 3HG2 THR 82 3HG2 THR 82 3.961 9.577 14.134 681 H ASP 83 H ASP 83 -0.532 7.506 11.121 682 HA ASP 83 HA ASP 83 -2.639 9.405 11.329 683 1HB ASP 83 2HB ASP 83 -4.101 7.388 10.858 684 2HB ASP 83 1HB ASP 83 -2.859 7.729 9.657 685 H LYS 84 H LYS 84 -1.933 9.803 13.699 686 HA LYS 84 HA LYS 84 -2.350 9.659 15.937 687 1HB LYS 84 2HB LYS 84 -5.011 8.554 15.032 688 2HB LYS 84 1HB LYS 84 -4.670 9.393 16.539 689 1HG LYS 84 2HG LYS 84 -3.999 10.912 14.125 690 2HG LYS 84 1HG LYS 84 -5.714 10.546 14.317 691 1HD LYS 84 2HD LYS 84 -4.219 11.571 16.676 692 2HD LYS 84 1HD LYS 84 -4.628 12.707 15.388 693 1HE LYS 84 2HE LYS 84 -6.942 12.309 15.641 694 2HE LYS 84 1HE LYS 84 -6.663 10.883 16.641 695 1HZ LYS 84 1HZ LYS 84 -5.577 13.390 17.639 696 2HZ LYS 84 2HZ LYS 84 -6.327 12.125 18.475 697 3HZ LYS 84 3HZ LYS 84 -7.264 13.259 17.642 698 H TYR 85 H TYR 85 -1.191 7.265 14.639 699 HA TYR 85 HA TYR 85 -1.831 5.365 16.775 700 1HB TYR 85 2HB TYR 85 -2.377 4.998 13.963 701 2HB TYR 85 1HB TYR 85 -1.232 3.786 14.528 702 HD1 TYR 85 2HD TYR 85 -4.433 5.370 15.637 703 HD2 TYR 85 1HD TYR 85 -2.102 1.823 15.360 704 HE1 TYR 85 2HE TYR 85 -6.289 4.082 16.610 705 HE2 TYR 85 1HE TYR 85 -3.950 0.525 16.331 706 HH TYR 85 HH TYR 85 -6.654 1.992 17.802 707 H GLY 86 H GLY 86 0.439 7.276 15.817 708 1HA GLY 86 2HA GLY 86 2.730 7.298 15.902 709 2HA GLY 86 1HA GLY 86 2.576 5.888 16.938 710 H ARG 87 H ARG 87 1.279 5.658 13.751 711 HA ARG 87 HA ARG 87 3.348 3.718 13.074 712 1HB ARG 87 2HB ARG 87 0.542 4.150 12.343 713 2HB ARG 87 1HB ARG 87 1.562 3.707 10.981 714 1HG ARG 87 2HG ARG 87 0.539 1.750 12.000 715 2HG ARG 87 1HG ARG 87 2.295 1.709 12.161 716 1HD ARG 87 2HD ARG 87 2.161 2.413 14.451 717 2HD ARG 87 1HD ARG 87 0.424 2.685 14.312 718 HE ARG 87 HE ARG 87 1.038 0.001 13.686 719 1HH1 ARG 87 1HH1 ARG 87 0.833 2.185 16.401 720 2HH1 ARG 87 2HH1 ARG 87 0.469 0.934 17.541 721 1HH2 ARG 87 1HH2 ARG 87 0.559 -1.647 15.185 722 2HH2 ARG 87 2HH2 ARG 87 0.314 -1.243 16.851 723 H GLY 88 H GLY 88 3.892 3.667 10.622 724 1HA GLY 88 2HA GLY 88 4.774 6.387 9.919 725 2HA GLY 88 1HA GLY 88 5.556 4.900 9.401 726 H LEU 89 H LEU 89 2.741 6.966 8.950 727 HA LEU 89 HA LEU 89 1.513 5.560 6.866 728 1HB LEU 89 2HB LEU 89 1.499 8.387 7.800 729 2HB LEU 89 1HB LEU 89 0.829 8.045 6.217 730 HG LEU 89 HG LEU 89 -0.096 6.880 8.843 731 1HD1 LEU 89 1HD1 LEU 89 -2.246 8.067 7.793 732 2HD1 LEU 89 2HD1 LEU 89 -0.991 9.104 7.112 733 3HD1 LEU 89 3HD1 LEU 89 -1.116 8.899 8.860 734 1HD2 LEU 89 1HD2 LEU 89 -0.872 6.279 6.004 735 2HD2 LEU 89 2HD2 LEU 89 -1.956 5.972 7.361 736 3HD2 LEU 89 3HD2 LEU 89 -0.396 5.156 7.278 737 H ALA 90 H ALA 90 2.334 5.013 4.964 738 HA ALA 90 HA ALA 90 3.309 6.797 3.067 739 1HB ALA 90 1HB ALA 90 5.286 7.208 4.222 740 2HB ALA 90 2HB ALA 90 5.748 5.951 3.074 741 3HB ALA 90 3HB ALA 90 5.436 5.534 4.759 742 H TYR 91 H TYR 91 4.253 5.688 1.155 743 HA TYR 91 HA TYR 91 2.892 3.186 0.729 744 1HB TYR 91 2HB TYR 91 4.726 4.700 -1.139 745 2HB TYR 91 1HB TYR 91 3.617 3.408 -1.583 746 HD1 TYR 91 1HD TYR 91 1.107 3.829 -1.162 747 HD2 TYR 91 2HD TYR 91 4.027 6.922 -1.216 748 HE1 TYR 91 1HE TYR 91 -0.664 5.485 -1.568 749 HE2 TYR 91 2HE TYR 91 2.264 8.588 -1.622 750 HH TYR 91 HH TYR 91 -1.083 7.827 -1.352 751 H ILE 92 H ILE 92 3.781 1.187 0.388 752 HA ILE 92 HA ILE 92 6.562 0.873 1.260 753 HB ILE 92 HB ILE 92 4.466 -1.275 0.943 754 1HG1 ILE 92 2HG1 ILE 92 3.838 0.459 2.628 755 2HG1 ILE 92 1HG1 ILE 92 4.090 -1.138 3.323 756 1HG2 ILE 92 1HG2 ILE 92 6.041 -2.744 1.496 757 2HG2 ILE 92 2HG2 ILE 92 6.570 -1.763 2.864 758 3HG2 ILE 92 3HG2 ILE 92 7.222 -1.457 1.254 759 1HD1 ILE 92 1HD1 ILE 92 5.204 1.244 4.177 760 2HD1 ILE 92 2HD1 ILE 92 6.520 0.420 3.341 761 3HD1 ILE 92 3HD1 ILE 92 5.679 -0.381 4.669 762 H TYR 93 H TYR 93 8.115 0.057 -0.028 763 HA TYR 93 HA TYR 93 7.326 -1.025 -2.644 764 1HB TYR 93 2HB TYR 93 9.584 0.931 -2.168 765 2HB TYR 93 1HB TYR 93 9.169 0.191 -3.710 766 HD1 TYR 93 2HD TYR 93 7.146 0.881 -4.918 767 HD2 TYR 93 1HD TYR 93 8.293 2.757 -1.274 768 HE1 TYR 93 2HE TYR 93 5.614 2.743 -5.398 769 HE2 TYR 93 1HE TYR 93 6.761 4.623 -1.746 770 HH TYR 93 HH TYR 93 4.662 4.983 -3.114 771 H ALA 94 H ALA 94 8.252 -2.908 -3.115 772 HA ALA 94 HA ALA 94 10.534 -3.776 -1.469 773 1HB ALA 94 1HB ALA 94 9.633 -5.830 -1.336 774 2HB ALA 94 2HB ALA 94 9.102 -5.818 -3.019 775 3HB ALA 94 3HB ALA 94 8.136 -5.011 -1.783 776 H ASP 95 H ASP 95 12.440 -4.092 -2.404 777 HA ASP 95 HA ASP 95 14.054 -3.938 -4.029 778 1HB ASP 95 2HB ASP 95 13.245 -6.357 -3.966 779 2HB ASP 95 1HB ASP 95 12.358 -5.989 -5.442 780 H GLY 96 H GLY 96 12.245 -1.876 -4.407 781 1HA GLY 96 2HA GLY 96 11.907 -0.251 -6.013 782 2HA GLY 96 1HA GLY 96 12.679 -1.306 -7.184 783 H LYS 97 H LYS 97 10.011 -2.545 -5.361 784 HA LYS 97 HA LYS 97 8.333 -2.349 -7.772 785 1HB LYS 97 2HB LYS 97 8.938 -4.647 -7.198 786 2HB LYS 97 1HB LYS 97 8.303 -4.425 -5.574 787 1HG LYS 97 2HG LYS 97 6.114 -4.476 -6.275 788 2HG LYS 97 1HG LYS 97 6.519 -3.991 -7.922 789 1HD LYS 97 2HD LYS 97 7.841 -6.327 -7.801 790 2HD LYS 97 1HD LYS 97 6.529 -6.669 -6.671 791 1HE LYS 97 2HE LYS 97 4.915 -5.943 -8.415 792 2HE LYS 97 1HE LYS 97 6.265 -5.772 -9.537 793 1HZ LYS 97 1HZ LYS 97 5.391 -7.877 -9.959 794 2HZ LYS 97 2HZ LYS 97 5.198 -8.244 -8.319 795 3HZ LYS 97 3HZ LYS 97 6.747 -8.190 -8.996 796 H MET 98 H MET 98 6.068 -2.011 -7.497 797 HA MET 98 HA MET 98 5.472 -0.322 -5.197 798 1HB MET 98 2HB MET 98 4.128 -0.768 -7.854 799 2HB MET 98 1HB MET 98 3.343 0.125 -6.560 800 1HG MET 98 2HG MET 98 5.816 1.306 -6.705 801 2HG MET 98 1HG MET 98 5.454 0.937 -8.388 802 1HE MET 98 1HE MET 98 2.121 2.371 -5.968 803 2HE MET 98 2HE MET 98 3.394 3.424 -5.350 804 3HE MET 98 3HE MET 98 3.598 1.672 -5.304 805 H VAL 99 H VAL 99 4.777 -1.409 -3.463 806 HA VAL 99 HA VAL 99 3.355 -3.881 -3.625 807 HB VAL 99 HB VAL 99 3.595 -2.087 -1.209 808 1HG1 VAL 99 1HG1 VAL 99 2.220 -3.674 -0.408 809 2HG1 VAL 99 2HG1 VAL 99 3.687 -4.648 -0.321 810 3HG1 VAL 99 3HG1 VAL 99 2.605 -4.806 -1.704 811 1HG2 VAL 99 1HG2 VAL 99 5.815 -2.450 -2.082 812 2HG2 VAL 99 2HG2 VAL 99 5.510 -4.180 -2.234 813 3HG2 VAL 99 3HG2 VAL 99 5.592 -3.436 -0.637 814 H ASN 100 H ASN 100 2.460 -0.528 -2.975 815 HA ASN 100 HA ASN 100 -0.179 -0.896 -2.182 816 1HB ASN 100 2HB ASN 100 0.992 1.258 -2.041 817 2HB ASN 100 1HB ASN 100 0.987 1.381 -3.796 818 1HD2 ASN 100 1HD2 ASN 100 -0.039 3.462 -2.763 819 2HD2 ASN 100 2HD2 ASN 100 -1.766 3.463 -2.757 820 H GLU 101 H GLU 101 1.091 -0.338 -5.460 821 HA GLU 101 HA GLU 101 -1.455 -0.600 -6.708 822 1HB GLU 101 2HB GLU 101 -0.270 -0.467 -8.789 823 2HB GLU 101 1HB GLU 101 0.472 0.663 -7.667 824 1HG GLU 101 2HG GLU 101 2.312 -0.297 -8.625 825 2HG GLU 101 1HG GLU 101 2.106 -1.305 -7.194 826 H ALA 102 H ALA 102 1.285 -2.793 -6.231 827 HA ALA 102 HA ALA 102 0.382 -4.919 -7.799 828 1HB ALA 102 1HB ALA 102 2.656 -4.661 -6.766 829 2HB ALA 102 2HB ALA 102 1.956 -6.276 -6.650 830 3HB ALA 102 3HB ALA 102 1.950 -5.208 -5.246 831 H LEU 103 H LEU 103 -0.353 -4.071 -4.451 832 HA LEU 103 HA LEU 103 -1.764 -6.461 -3.850 833 1HB LEU 103 2HB LEU 103 -1.600 -3.748 -2.590 834 2HB LEU 103 1HB LEU 103 -2.761 -4.927 -2.008 835 HG LEU 103 HG LEU 103 0.078 -5.787 -2.240 836 1HD1 LEU 103 1HD1 LEU 103 0.645 -4.848 -0.087 837 2HD1 LEU 103 2HD1 LEU 103 -0.943 -4.090 0.033 838 3HD1 LEU 103 3HD1 LEU 103 0.199 -3.555 -1.200 839 1HD2 LEU 103 1HD2 LEU 103 -0.488 -7.268 -0.541 840 2HD2 LEU 103 2HD2 LEU 103 -1.962 -7.180 -1.505 841 3HD2 LEU 103 3HD2 LEU 103 -1.842 -6.279 0.006 842 H VAL 104 H VAL 104 -2.921 -3.174 -4.618 843 HA VAL 104 HA VAL 104 -5.655 -3.921 -4.690 844 HB VAL 104 HB VAL 104 -4.378 -1.537 -6.031 845 1HG1 VAL 104 1HG1 VAL 104 -6.437 -0.752 -6.451 846 2HG1 VAL 104 2HG1 VAL 104 -7.073 -1.315 -4.905 847 3HG1 VAL 104 3HG1 VAL 104 -6.940 -2.432 -6.264 848 1HG2 VAL 104 1HG2 VAL 104 -4.846 -2.159 -3.206 849 2HG2 VAL 104 2HG2 VAL 104 -5.480 -0.597 -3.721 850 3HG2 VAL 104 3HG2 VAL 104 -3.771 -0.972 -3.944 851 H ARG 105 H ARG 105 -3.175 -3.547 -7.187 852 HA ARG 105 HA ARG 105 -4.855 -3.911 -9.414 853 1HB ARG 105 2HB ARG 105 -2.583 -3.019 -9.609 854 2HB ARG 105 1HB ARG 105 -1.919 -4.566 -9.103 855 1HG ARG 105 2HG ARG 105 -2.581 -5.622 -11.101 856 2HG ARG 105 1HG ARG 105 -3.630 -4.277 -11.552 857 1HD ARG 105 2HD ARG 105 -1.952 -3.183 -12.529 858 2HD ARG 105 1HD ARG 105 -0.897 -3.415 -11.136 859 HE ARG 105 HE ARG 105 0.077 -5.190 -12.208 860 1HH1 ARG 105 1HH1 ARG 105 -2.894 -4.368 -13.845 861 2HH1 ARG 105 2HH1 ARG 105 -2.599 -5.431 -15.180 862 1HH2 ARG 105 1HH2 ARG 105 0.467 -6.588 -13.964 863 2HH2 ARG 105 2HH2 ARG 105 -0.691 -6.692 -15.247 864 H GLN 106 H GLN 106 -3.368 -6.153 -7.197 865 HA GLN 106 HA GLN 106 -4.028 -8.457 -8.839 866 1HB GLN 106 2HB GLN 106 -2.599 -8.054 -6.233 867 2HB GLN 106 1HB GLN 106 -3.177 -9.654 -6.677 868 1HG GLN 106 2HG GLN 106 -1.913 -9.116 -8.922 869 2HG GLN 106 1HG GLN 106 -1.014 -8.014 -7.879 870 1HE2 GLN 106 1HE2 GLN 106 -2.313 -11.311 -7.604 871 2HE2 GLN 106 2HE2 GLN 106 -0.849 -12.020 -7.022 872 H GLY 107 H GLY 107 -5.323 -6.675 -6.155 873 1HA GLY 107 2HA GLY 107 -7.646 -6.820 -5.610 874 2HA GLY 107 1HA GLY 107 -7.627 -8.500 -6.125 875 H LEU 108 H LEU 108 -5.382 -6.835 -3.956 876 HA LEU 108 HA LEU 108 -6.240 -8.668 -1.811 877 1HB LEU 108 2HB LEU 108 -3.517 -7.726 -2.633 878 2HB LEU 108 1HB LEU 108 -3.813 -8.221 -0.977 879 HG LEU 108 HG LEU 108 -2.839 -10.014 -2.384 880 1HD1 LEU 108 1HD1 LEU 108 -5.503 -11.095 -1.797 881 2HD1 LEU 108 2HD1 LEU 108 -4.745 -10.215 -0.470 882 3HD1 LEU 108 3HD1 LEU 108 -3.917 -11.588 -1.205 883 1HD2 LEU 108 1HD2 LEU 108 -4.260 -9.197 -4.410 884 2HD2 LEU 108 2HD2 LEU 108 -5.476 -10.293 -3.756 885 3HD2 LEU 108 3HD2 LEU 108 -3.893 -10.912 -4.226 886 H ALA 109 H ALA 109 -5.279 -5.411 -2.668 887 HA ALA 109 HA ALA 109 -6.132 -4.516 0.006 888 1HB ALA 109 1HB ALA 109 -3.721 -4.216 -0.305 889 2HB ALA 109 2HB ALA 109 -4.557 -2.671 -0.155 890 3HB ALA 109 3HB ALA 109 -4.032 -3.240 -1.740 891 H LYS 110 H LYS 110 -7.147 -2.424 0.102 892 HA LYS 110 HA LYS 110 -8.400 -1.625 -2.444 893 1HB LYS 110 2HB LYS 110 -10.401 -0.987 -1.109 894 2HB LYS 110 1HB LYS 110 -10.064 -2.712 -1.081 895 1HG LYS 110 2HG LYS 110 -10.278 -2.567 1.126 896 2HG LYS 110 1HG LYS 110 -8.696 -1.785 1.115 897 1HD LYS 110 2HD LYS 110 -9.601 0.339 1.302 898 2HD LYS 110 1HD LYS 110 -11.168 -0.163 0.663 899 1HE LYS 110 2HE LYS 110 -10.278 -1.405 3.201 900 2HE LYS 110 1HE LYS 110 -10.745 0.294 3.258 901 1HZ LYS 110 1HZ LYS 110 -12.411 -1.977 2.321 902 2HZ LYS 110 2HZ LYS 110 -12.862 -0.352 2.192 903 3HZ LYS 110 3HZ LYS 110 -12.648 -1.050 3.717 904 H VAL 111 H VAL 111 -9.530 0.656 -2.018 905 HA VAL 111 HA VAL 111 -7.338 2.444 -1.405 906 HB VAL 111 HB VAL 111 -10.139 3.176 -2.266 907 1HG1 VAL 111 1HG1 VAL 111 -8.536 5.078 -3.282 908 2HG1 VAL 111 2HG1 VAL 111 -7.627 4.660 -1.830 909 3HG1 VAL 111 3HG1 VAL 111 -9.302 5.196 -1.698 910 1HG2 VAL 111 1HG2 VAL 111 -7.719 2.743 -4.014 911 2HG2 VAL 111 2HG2 VAL 111 -9.341 3.196 -4.539 912 3HG2 VAL 111 3HG2 VAL 111 -9.052 1.601 -3.844 913 H ALA 112 H ALA 112 -6.985 3.092 0.610 914 HA ALA 112 HA ALA 112 -9.033 2.993 2.625 915 1HB ALA 112 1HB ALA 112 -7.285 3.762 4.147 916 2HB ALA 112 2HB ALA 112 -6.215 4.058 2.775 917 3HB ALA 112 3HB ALA 112 -6.722 2.414 3.159 918 H TYR 113 H TYR 113 -8.977 5.029 4.199 919 HA TYR 113 HA TYR 113 -9.474 7.408 2.532 920 1HB TYR 113 2HB TYR 113 -11.045 6.235 4.800 921 2HB TYR 113 1HB TYR 113 -11.113 7.967 4.495 922 HD1 TYR 113 2HD TYR 113 -11.248 4.843 2.436 923 HD2 TYR 113 1HD TYR 113 -12.947 8.648 3.289 924 HE1 TYR 113 2HE TYR 113 -12.951 4.464 0.703 925 HE2 TYR 113 1HE TYR 113 -14.656 8.280 1.559 926 HH TYR 113 HH TYR 113 -15.731 6.325 0.419 927 H VAL 114 H VAL 114 -7.526 8.418 2.865 928 HA VAL 114 HA VAL 114 -6.361 8.683 5.471 929 HB VAL 114 HB VAL 114 -4.974 8.650 3.432 930 1HG1 VAL 114 1HG1 VAL 114 -6.069 11.404 2.877 931 2HG1 VAL 114 2HG1 VAL 114 -6.567 9.945 2.020 932 3HG1 VAL 114 3HG1 VAL 114 -4.898 10.503 1.914 933 1HG2 VAL 114 1HG2 VAL 114 -3.387 10.157 4.203 934 2HG2 VAL 114 2HG2 VAL 114 -4.379 9.873 5.634 935 3HG2 VAL 114 3HG2 VAL 114 -4.599 11.344 4.685 936 H TYR 115 H TYR 115 -6.020 10.672 6.604 937 HA TYR 115 HA TYR 115 -8.338 12.223 6.924 938 1HB TYR 115 2HB TYR 115 -5.501 12.837 7.781 939 2HB TYR 115 1HB TYR 115 -6.940 13.662 8.370 940 HD1 TYR 115 1HD TYR 115 -5.110 10.459 8.370 941 HD2 TYR 115 2HD TYR 115 -8.319 12.684 10.055 942 HE1 TYR 115 1HE TYR 115 -5.339 8.772 10.143 943 HE2 TYR 115 2HE TYR 115 -8.557 11.004 11.834 944 HH TYR 115 HH TYR 115 -7.003 9.267 12.947 945 H LYS 116 H LYS 116 -5.172 13.179 5.590 946 HA LYS 116 HA LYS 116 -6.108 14.487 3.343 947 1HB LYS 116 2HB LYS 116 -6.422 16.048 5.792 948 2HB LYS 116 1HB LYS 116 -5.467 16.882 4.572 949 1HG LYS 116 2HG LYS 116 -7.538 15.946 3.085 950 2HG LYS 116 1HG LYS 116 -8.326 16.262 4.632 951 1HD LYS 116 2HD LYS 116 -7.975 18.515 4.506 952 2HD LYS 116 1HD LYS 116 -6.488 18.340 3.572 953 1HE LYS 116 2HE LYS 116 -8.344 17.361 1.838 954 2HE LYS 116 1HE LYS 116 -9.269 18.608 2.673 955 1HZ LYS 116 1HZ LYS 116 -7.009 19.917 2.179 956 2HZ LYS 116 2HZ LYS 116 -8.330 19.915 1.122 957 3HZ LYS 116 3HZ LYS 116 -7.027 18.872 0.848 958 H GLY 117 H GLY 117 -4.463 15.748 2.246 959 1HA GLY 117 2HA GLY 117 -2.247 16.561 2.017 960 2HA GLY 117 1HA GLY 117 -1.793 15.650 3.449 961 H ASN 118 H ASN 118 -3.120 13.206 2.495 962 HA ASN 118 HA ASN 118 -1.000 12.344 0.674 963 1HB ASN 118 2HB ASN 118 -1.279 11.059 2.741 964 2HB ASN 118 1HB ASN 118 -2.955 10.722 2.317 965 1HD2 ASN 118 1HD2 ASN 118 0.050 10.645 0.441 966 2HD2 ASN 118 2HD2 ASN 118 -0.105 8.999 -0.063 967 H ASN 119 H ASN 119 -1.796 13.118 -1.280 968 HA ASN 119 HA ASN 119 -3.819 11.441 -2.496 969 1HB ASN 119 2HB ASN 119 -5.012 13.487 -3.430 970 2HB ASN 119 1HB ASN 119 -5.290 13.137 -1.726 971 1HD2 ASN 119 1HD2 ASN 119 -4.649 14.573 -0.204 972 2HD2 ASN 119 2HD2 ASN 119 -3.951 16.112 -0.563 973 H THR 120 H THR 120 -1.010 11.719 -2.845 974 HA THR 120 HA THR 120 -0.661 13.194 -5.331 975 HB THR 120 HB THR 120 1.374 11.504 -3.876 976 HG1 THR 120 1HG THR 120 0.618 14.199 -3.498 977 1HG2 THR 120 1HG2 THR 120 2.753 13.542 -4.936 978 2HG2 THR 120 2HG2 THR 120 1.489 13.360 -6.152 979 3HG2 THR 120 3HG2 THR 120 2.522 11.991 -5.741 980 H HIS 121 H HIS 121 -0.631 9.863 -4.153 981 HA HIS 121 HA HIS 121 -0.413 8.912 -6.923 982 1HB HIS 121 2HB HIS 121 0.023 7.501 -4.288 983 2HB HIS 121 1HB HIS 121 0.032 6.681 -5.846 984 HD1 HIS 121 1HD HIS 121 1.963 9.278 -3.897 985 HD2 HIS 121 2HD HIS 121 2.399 6.838 -7.232 986 HE1 HIS 121 1HE HIS 121 4.373 9.499 -4.581 987 HE2 HIS 121 2HE HIS 121 4.598 8.065 -6.640 988 H GLU 122 H GLU 122 -2.744 9.577 -4.648 989 HA GLU 122 HA GLU 122 -4.490 7.484 -4.536 990 1HB GLU 122 2HB GLU 122 -4.696 9.889 -3.606 991 2HB GLU 122 1HB GLU 122 -5.502 10.251 -5.127 992 1HG GLU 122 2HG GLU 122 -7.187 8.565 -4.655 993 2HG GLU 122 1HG GLU 122 -6.367 8.151 -3.151 994 H GLN 123 H GLN 123 -3.763 9.477 -7.302 995 HA GLN 123 HA GLN 123 -5.980 8.865 -8.907 996 1HB GLN 123 2HB GLN 123 -4.316 9.311 -10.824 997 2HB GLN 123 1HB GLN 123 -4.658 10.618 -9.701 998 1HG GLN 123 2HG GLN 123 -2.512 10.808 -9.226 999 2HG GLN 123 1HG GLN 123 -2.450 9.127 -8.705 1000 1HE2 GLN 123 1HE2 GLN 123 -0.249 9.279 -9.547 1001 2HE2 GLN 123 2HE2 GLN 123 0.019 8.998 -11.230 1002 H LEU 124 H LEU 124 -2.842 7.242 -8.577 1003 HA LEU 124 HA LEU 124 -3.402 5.223 -10.500 1004 1HB LEU 124 2HB LEU 124 -1.457 4.967 -8.219 1005 2HB LEU 124 1HB LEU 124 -1.388 4.194 -9.791 1006 HG LEU 124 HG LEU 124 -0.959 7.130 -9.237 1007 1HD1 LEU 124 1HD1 LEU 124 1.105 5.384 -10.450 1008 2HD1 LEU 124 2HD1 LEU 124 0.805 5.211 -8.720 1009 3HD1 LEU 124 3HD1 LEU 124 1.279 6.776 -9.380 1010 1HD2 LEU 124 1HD2 LEU 124 -0.204 7.067 -11.678 1011 2HD2 LEU 124 2HD2 LEU 124 -1.940 7.047 -11.362 1012 3HD2 LEU 124 3HD2 LEU 124 -1.104 5.554 -11.786 1013 H LEU 125 H LEU 125 -3.805 5.495 -7.018 1014 HA LEU 125 HA LEU 125 -4.383 2.825 -6.424 1015 1HB LEU 125 2HB LEU 125 -5.160 5.434 -5.165 1016 2HB LEU 125 1HB LEU 125 -5.803 3.925 -4.546 1017 HG LEU 125 HG LEU 125 -3.452 3.137 -4.202 1018 1HD1 LEU 125 1HD1 LEU 125 -1.649 4.744 -4.247 1019 2HD1 LEU 125 2HD1 LEU 125 -2.755 6.013 -4.775 1020 3HD1 LEU 125 3HD1 LEU 125 -2.401 4.652 -5.840 1021 1HD2 LEU 125 1HD2 LEU 125 -5.036 4.720 -2.619 1022 2HD2 LEU 125 2HD2 LEU 125 -3.499 5.583 -2.611 1023 3HD2 LEU 125 3HD2 LEU 125 -3.564 3.896 -2.102 1024 H ARG 126 H ARG 126 -6.613 5.500 -7.175 1025 HA ARG 126 HA ARG 126 -8.971 3.982 -7.099 1026 1HB ARG 126 2HB ARG 126 -8.437 6.614 -7.370 1027 2HB ARG 126 1HB ARG 126 -8.848 6.222 -9.034 1028 1HG ARG 126 2HG ARG 126 -10.994 5.307 -8.277 1029 2HG ARG 126 1HG ARG 126 -10.581 5.748 -6.618 1030 1HD ARG 126 2HD ARG 126 -10.498 8.091 -7.230 1031 2HD ARG 126 1HD ARG 126 -10.799 7.686 -8.919 1032 HE ARG 126 HE ARG 126 -13.029 7.461 -8.435 1033 1HH1 ARG 126 1HH1 ARG 126 -11.219 7.528 -5.452 1034 2HH1 ARG 126 2HH1 ARG 126 -12.630 7.640 -4.454 1035 1HH2 ARG 126 1HH2 ARG 126 -14.885 7.607 -7.124 1036 2HH2 ARG 126 2HH2 ARG 126 -14.712 7.684 -5.403 1037 H LYS 127 H LYS 127 -6.663 4.604 -9.681 1038 HA LYS 127 HA LYS 127 -8.197 3.494 -11.785 1039 1HB LYS 127 2HB LYS 127 -5.410 4.370 -11.384 1040 2HB LYS 127 1HB LYS 127 -5.624 3.121 -12.604 1041 1HG LYS 127 2HG LYS 127 -5.685 5.345 -13.586 1042 2HG LYS 127 1HG LYS 127 -7.233 4.519 -13.777 1043 1HD LYS 127 2HD LYS 127 -7.463 5.868 -11.358 1044 2HD LYS 127 1HD LYS 127 -6.610 6.999 -12.410 1045 1HE LYS 127 2HE LYS 127 -8.406 7.323 -13.727 1046 2HE LYS 127 1HE LYS 127 -8.890 5.629 -13.655 1047 1HZ LYS 127 1HZ LYS 127 -10.539 6.978 -12.588 1048 2HZ LYS 127 2HZ LYS 127 -9.383 7.698 -11.583 1049 3HZ LYS 127 3HZ LYS 127 -9.754 6.056 -11.405 1050 H SER 128 H SER 128 -5.820 2.137 -9.552 1051 HA SER 128 HA SER 128 -5.834 -0.455 -10.775 1052 1HB SER 128 2HB SER 128 -3.885 0.381 -9.502 1053 2HB SER 128 1HB SER 128 -4.856 0.377 -8.031 1054 HG SER 128 HG SER 128 -4.360 -1.917 -9.625 1055 H GLU 129 H GLU 129 -7.423 1.048 -8.007 1056 HA GLU 129 HA GLU 129 -8.628 -1.329 -7.026 1057 1HB GLU 129 2HB GLU 129 -8.332 0.649 -5.615 1058 2HB GLU 129 1HB GLU 129 -9.428 1.562 -6.643 1059 1HG GLU 129 2HG GLU 129 -10.768 -0.793 -5.811 1060 2HG GLU 129 1HG GLU 129 -10.031 -0.050 -4.392 1061 H ALA 130 H ALA 130 -9.614 1.154 -9.315 1062 HA ALA 130 HA ALA 130 -12.308 0.348 -9.581 1063 1HB ALA 130 1HB ALA 130 -11.341 2.545 -10.312 1064 2HB ALA 130 2HB ALA 130 -12.394 1.765 -11.492 1065 3HB ALA 130 3HB ALA 130 -10.644 1.701 -11.695 1066 H GLN 131 H GLN 131 -9.392 -0.444 -11.449 1067 HA GLN 131 HA GLN 131 -10.637 -2.054 -13.378 1068 1HB GLN 131 2HB GLN 131 -7.833 -2.342 -12.288 1069 2HB GLN 131 1HB GLN 131 -8.419 -2.947 -13.831 1070 1HG GLN 131 2HG GLN 131 -8.831 -0.084 -13.472 1071 2HG GLN 131 1HG GLN 131 -7.136 -0.569 -13.428 1072 1HE2 GLN 131 1HE2 GLN 131 -9.788 -2.010 -15.250 1073 2HE2 GLN 131 2HE2 GLN 131 -9.129 -1.690 -16.814 1074 H ALA 132 H ALA 132 -9.412 -2.785 -10.161 1075 HA ALA 132 HA ALA 132 -9.793 -5.615 -10.398 1076 1HB ALA 132 1HB ALA 132 -9.288 -5.673 -8.006 1077 2HB ALA 132 2HB ALA 132 -9.383 -3.913 -7.942 1078 3HB ALA 132 3HB ALA 132 -8.115 -4.693 -8.886 1079 H LYS 133 H LYS 133 -11.739 -2.910 -9.384 1080 HA LYS 133 HA LYS 133 -13.704 -4.432 -7.982 1081 1HB LYS 133 2HB LYS 133 -13.112 -1.802 -8.071 1082 2HB LYS 133 1HB LYS 133 -14.483 -1.837 -9.170 1083 1HG LYS 133 2HG LYS 133 -14.560 -3.005 -6.402 1084 2HG LYS 133 1HG LYS 133 -15.023 -1.343 -6.773 1085 1HD LYS 133 2HD LYS 133 -17.076 -2.223 -7.051 1086 2HD LYS 133 1HD LYS 133 -16.455 -2.711 -8.630 1087 1HE LYS 133 2HE LYS 133 -17.489 -4.616 -7.617 1088 2HE LYS 133 1HE LYS 133 -15.745 -4.870 -7.606 1089 1HZ LYS 133 1HZ LYS 133 -16.806 -5.480 -5.499 1090 2HZ LYS 133 2HZ LYS 133 -17.326 -3.883 -5.295 1091 3HZ LYS 133 3HZ LYS 133 -15.673 -4.239 -5.299 1092 H LYS 134 H LYS 134 -13.660 -2.902 -11.201 1093 HA LYS 134 HA LYS 134 -16.192 -3.925 -11.972 1094 1HB LYS 134 2HB LYS 134 -13.895 -2.676 -13.443 1095 2HB LYS 134 1HB LYS 134 -15.232 -3.387 -14.338 1096 1HG LYS 134 2HG LYS 134 -15.441 -0.944 -13.979 1097 2HG LYS 134 1HG LYS 134 -16.793 -1.879 -13.336 1098 1HD LYS 134 2HD LYS 134 -16.146 -1.540 -11.136 1099 2HD LYS 134 1HD LYS 134 -14.477 -1.180 -11.578 1100 1HE LYS 134 2HE LYS 134 -15.428 0.882 -10.943 1101 2HE LYS 134 1HE LYS 134 -15.371 0.905 -12.705 1102 1HZ LYS 134 1HZ LYS 134 -17.788 -0.110 -12.326 1103 2HZ LYS 134 2HZ LYS 134 -17.499 1.553 -12.443 1104 3HZ LYS 134 3HZ LYS 134 -17.668 0.830 -10.924 1105 H GLU 135 H GLU 135 -12.940 -5.148 -12.127 1106 HA GLU 135 HA GLU 135 -13.687 -7.350 -13.871 1107 1HB GLU 135 2HB GLU 135 -11.081 -6.624 -12.528 1108 2HB GLU 135 1HB GLU 135 -11.294 -8.040 -13.549 1109 1HG GLU 135 2HG GLU 135 -11.927 -6.558 -15.416 1110 2HG GLU 135 1HG GLU 135 -11.605 -5.165 -14.385 1111 H LYS 136 H LYS 136 -13.418 -6.701 -10.492 1112 HA LYS 136 HA LYS 136 -13.675 -7.986 -8.631 1113 1HB LYS 136 2HB LYS 136 -15.076 -9.890 -10.515 1114 2HB LYS 136 1HB LYS 136 -15.261 -9.820 -8.769 1115 1HG LYS 136 2HG LYS 136 -15.813 -7.267 -10.021 1116 2HG LYS 136 1HG LYS 136 -16.841 -8.557 -10.647 1117 1HD LYS 136 2HD LYS 136 -16.918 -9.057 -7.974 1118 2HD LYS 136 1HD LYS 136 -16.790 -7.297 -7.995 1119 1HE LYS 136 2HE LYS 136 -19.029 -7.386 -8.212 1120 2HE LYS 136 1HE LYS 136 -18.658 -7.680 -9.910 1121 1HZ LYS 136 1HZ LYS 136 -19.216 -9.742 -7.847 1122 2HZ LYS 136 2HZ LYS 136 -18.763 -10.074 -9.442 1123 3HZ LYS 136 3HZ LYS 136 -20.232 -9.297 -9.125 1124 H LEU 137 H LEU 137 -11.230 -8.231 -9.143 1125 HA LEU 137 HA LEU 137 -10.265 -10.731 -10.051 1126 1HB LEU 137 2HB LEU 137 -9.065 -8.452 -8.524 1127 2HB LEU 137 1HB LEU 137 -8.164 -9.940 -8.741 1128 HG LEU 137 HG LEU 137 -9.305 -8.796 -11.209 1129 1HD1 LEU 137 1HD1 LEU 137 -6.812 -7.485 -10.323 1130 2HD1 LEU 137 2HD1 LEU 137 -8.311 -6.918 -9.586 1131 3HD1 LEU 137 3HD1 LEU 137 -8.118 -6.877 -11.340 1132 1HD2 LEU 137 1HD2 LEU 137 -6.506 -9.698 -10.568 1133 2HD2 LEU 137 2HD2 LEU 137 -7.264 -9.555 -12.154 1134 3HD2 LEU 137 3HD2 LEU 137 -7.801 -10.803 -11.030 1135 H ASN 138 H ASN 138 -10.113 -9.400 -6.738 1136 HA ASN 138 HA ASN 138 -10.807 -12.043 -5.697 1137 1HB ASN 138 2HB ASN 138 -8.249 -10.563 -5.179 1138 2HB ASN 138 1HB ASN 138 -8.914 -11.637 -3.951 1139 1HD2 ASN 138 1HD2 ASN 138 -6.444 -12.039 -5.160 1140 2HD2 ASN 138 2HD2 ASN 138 -6.518 -13.482 -6.107 1141 H ILE 139 H ILE 139 -9.477 -9.159 -4.112 1142 HA ILE 139 HA ILE 139 -11.163 -9.147 -1.936 1143 HB ILE 139 HB ILE 139 -10.681 -6.687 -1.766 1144 1HG1 ILE 139 2HG1 ILE 139 -9.160 -7.232 -4.327 1145 2HG1 ILE 139 1HG1 ILE 139 -10.553 -6.171 -4.152 1146 1HG2 ILE 139 1HG2 ILE 139 -8.010 -7.392 -2.036 1147 2HG2 ILE 139 2HG2 ILE 139 -8.839 -8.914 -1.717 1148 3HG2 ILE 139 3HG2 ILE 139 -9.009 -7.565 -0.594 1149 1HD1 ILE 139 1HD1 ILE 139 -7.809 -5.555 -3.854 1150 2HD1 ILE 139 2HD1 ILE 139 -8.589 -5.344 -2.286 1151 3HD1 ILE 139 3HD1 ILE 139 -9.203 -4.485 -3.699 1152 H TRP 140 H TRP 140 -11.655 -7.560 -5.066 1153 HA TRP 140 HA TRP 140 -14.255 -6.569 -4.213 1154 1HB TRP 140 2HB TRP 140 -12.849 -6.288 -6.876 1155 2HB TRP 140 1HB TRP 140 -14.324 -5.458 -6.396 1156 HD1 TRP 140 HD TRP 140 -11.007 -4.522 -6.947 1157 HE1 TRP 140 1HE TRP 140 -10.182 -2.652 -5.384 1158 HE3 TRP 140 3HE TRP 140 -14.597 -4.851 -3.321 1159 HZ2 TRP 140 2HZ TRP 140 -10.953 -1.470 -2.941 1160 HZ3 TRP 140 3HZ TRP 140 -14.482 -3.313 -1.406 1161 HH2 TRP 140 HH TRP 140 -12.695 -1.659 -1.220 1162 H SER 141 H SER 141 -14.345 -9.244 -4.087 1163 HA SER 141 HA SER 141 -15.928 -9.988 -6.459 1164 1HB SER 141 2HB SER 141 -14.069 -11.726 -4.823 1165 2HB SER 141 1HB SER 141 -15.223 -12.364 -5.993 1166 HG SER 141 HG SER 141 -13.759 -11.973 -7.433 1167 H GLU 142 H GLU 142 -16.784 -8.752 -3.953 1168 HA GLU 142 HA GLU 142 -18.938 -10.565 -3.348 1169 1HB GLU 142 2HB GLU 142 -18.495 -10.408 -0.852 1170 2HB GLU 142 1HB GLU 142 -17.449 -11.485 -1.765 1171 1HG GLU 142 2HG GLU 142 -15.765 -10.459 -0.741 1172 2HG GLU 142 1HG GLU 142 -16.076 -9.115 -1.840 1173 H ASP 143 H ASP 143 -18.557 -7.888 -4.453 1174 HA ASP 143 HA ASP 143 -20.323 -6.443 -2.606 1175 1HB ASP 143 2HB ASP 143 -17.719 -5.552 -3.716 1176 2HB ASP 143 1HB ASP 143 -19.016 -4.361 -3.698 1177 H ASN 144 H ASN 144 -21.664 -4.824 -3.634 1178 HA ASN 144 HA ASN 144 -23.134 -4.139 -5.228 1179 1HB ASN 144 2HB ASN 144 -20.688 -4.692 -6.890 1180 2HB ASN 144 1HB ASN 144 -22.191 -4.162 -7.639 1181 1HD2 ASN 144 1HD2 ASN 144 -19.438 -3.253 -5.832 1182 2HD2 ASN 144 2HD2 ASN 144 -19.795 -1.567 -5.706 1183 H ALA 145 H ALA 145 -23.134 -6.916 -4.371 1184 HA ALA 145 HA ALA 145 -24.352 -8.147 -6.756 1185 1HB ALA 145 1HB ALA 145 -22.157 -9.122 -5.575 1186 2HB ALA 145 2HB ALA 145 -23.366 -10.143 -6.351 1187 3HB ALA 145 3HB ALA 145 -23.389 -9.925 -4.601 1188 H ASP 146 H ASP 146 -24.445 -7.899 -3.224 1189 HA ASP 146 HA ASP 146 -27.339 -8.394 -3.346 1190 1HB ASP 146 2HB ASP 146 -25.295 -9.810 -1.696 1191 2HB ASP 146 1HB ASP 146 -26.869 -9.493 -0.972 1192 H SER 147 H SER 147 -27.385 -6.042 -3.272 1193 HA SER 147 HA SER 147 -27.309 -5.089 -0.506 1194 1HB SER 147 2HB SER 147 -25.239 -4.242 -1.337 1195 2HB SER 147 1HB SER 147 -25.978 -3.742 -2.859 1196 HG SER 147 HG SER 147 -26.325 -1.903 -1.927 1197 H GLY 148 H GLY 148 -28.466 -2.947 -0.296 1198 1HA GLY 148 2HA GLY 148 -30.851 -3.025 -2.021 1199 2HA GLY 148 1HA GLY 148 -30.810 -2.403 -0.379 1200 H GLN 149 H GLN 149 -31.987 -0.652 -1.669 1201 HA GLN 149 HA GLN 149 -30.221 1.116 -3.153 1202 1HB GLN 149 2HB GLN 149 -33.112 1.573 -2.410 1203 2HB GLN 149 1HB GLN 149 -32.189 2.400 -3.656 1204 1HG GLN 149 2HG GLN 149 -32.093 -0.387 -4.187 1205 2HG GLN 149 1HG GLN 149 -33.770 0.064 -3.880 1206 1HE2 GLN 149 1HE2 GLN 149 -34.804 0.453 -5.690 1207 2HE2 GLN 149 2HE2 GLN 149 -34.169 1.257 -7.081 Start of MODEL 11 1 1H ALA 1 1HT ALA 1 3.151 28.918 -7.480 2 2H ALA 1 2HT ALA 1 4.186 29.367 -6.186 3 3H ALA 1 3HT ALA 1 3.545 27.776 -6.264 4 HA ALA 1 HA ALA 1 5.208 28.865 -8.407 5 1HB ALA 1 1HB ALA 1 6.557 29.179 -6.468 6 2HB ALA 1 2HB ALA 1 7.127 27.722 -7.280 7 3HB ALA 1 3HB ALA 1 6.122 27.591 -5.837 8 H THR 2 H THR 2 6.612 26.849 -9.115 9 HA THR 2 HA THR 2 4.688 24.681 -9.575 10 HB THR 2 HB THR 2 6.137 24.082 -11.492 11 HG1 THR 2 1HG THR 2 7.817 25.494 -12.049 12 1HG2 THR 2 1HG2 THR 2 5.002 25.463 -12.789 13 2HG2 THR 2 2HG2 THR 2 5.909 26.852 -12.194 14 3HG2 THR 2 3HG2 THR 2 4.468 26.308 -11.335 15 H SER 3 H SER 3 5.596 22.465 -9.748 16 HA SER 3 HA SER 3 8.059 21.920 -8.348 17 1HB SER 3 2HB SER 3 5.407 21.616 -7.044 18 2HB SER 3 1HB SER 3 6.558 20.299 -6.816 19 HG SER 3 HG SER 3 7.312 21.557 -5.306 20 H THR 4 H THR 4 8.975 20.296 -9.399 21 HA THR 4 HA THR 4 7.645 18.763 -11.351 22 HB THR 4 HB THR 4 10.027 19.166 -11.503 23 HG1 THR 4 1HG THR 4 9.719 17.331 -12.537 24 1HG2 THR 4 1HG2 THR 4 10.717 19.238 -9.220 25 2HG2 THR 4 2HG2 THR 4 11.611 17.954 -10.035 26 3HG2 THR 4 3HG2 THR 4 10.258 17.553 -8.979 27 H LYS 5 H LYS 5 8.068 16.216 -11.244 28 HA LYS 5 HA LYS 5 6.694 15.312 -8.804 29 1HB LYS 5 2HB LYS 5 5.606 15.050 -11.113 30 2HB LYS 5 1HB LYS 5 6.812 13.805 -11.409 31 1HG LYS 5 2HG LYS 5 5.026 12.569 -10.665 32 2HG LYS 5 1HG LYS 5 5.944 12.801 -9.176 33 1HD LYS 5 2HD LYS 5 3.815 14.758 -9.935 34 2HD LYS 5 1HD LYS 5 3.369 13.217 -9.198 35 1HE LYS 5 2HE LYS 5 5.355 14.000 -7.544 36 2HE LYS 5 1HE LYS 5 4.706 15.566 -8.027 37 1HZ LYS 5 1HZ LYS 5 3.505 13.484 -6.397 38 2HZ LYS 5 2HZ LYS 5 2.462 14.252 -7.485 39 3HZ LYS 5 3HZ LYS 5 3.302 15.162 -6.333 40 H LYS 6 H LYS 6 8.559 14.991 -7.559 41 HA LYS 6 HA LYS 6 10.413 12.921 -8.518 42 1HB LYS 6 2HB LYS 6 11.047 15.333 -7.519 43 2HB LYS 6 1HB LYS 6 10.990 14.414 -6.020 44 1HG LYS 6 2HG LYS 6 12.666 13.719 -8.424 45 2HG LYS 6 1HG LYS 6 13.247 14.525 -6.965 46 1HD LYS 6 2HD LYS 6 11.935 11.811 -6.965 47 2HD LYS 6 1HD LYS 6 13.680 12.052 -7.063 48 1HE LYS 6 2HE LYS 6 11.939 13.111 -4.841 49 2HE LYS 6 1HE LYS 6 12.836 11.595 -4.761 50 1HZ LYS 6 1HZ LYS 6 14.094 13.317 -3.703 51 2HZ LYS 6 2HZ LYS 6 13.983 14.317 -5.064 52 3HZ LYS 6 3HZ LYS 6 14.885 12.887 -5.137 53 H LEU 7 H LEU 7 9.420 11.026 -8.009 54 HA LEU 7 HA LEU 7 8.622 10.634 -5.201 55 1HB LEU 7 2HB LEU 7 7.044 10.266 -7.309 56 2HB LEU 7 1HB LEU 7 7.837 8.703 -7.324 57 HG LEU 7 HG LEU 7 5.718 8.607 -6.118 58 1HD1 LEU 7 1HD1 LEU 7 7.463 7.093 -5.420 59 2HD1 LEU 7 2HD1 LEU 7 6.552 7.638 -4.011 60 3HD1 LEU 7 3HD1 LEU 7 8.143 8.321 -4.351 61 1HD2 LEU 7 1HD2 LEU 7 6.935 10.512 -4.129 62 2HD2 LEU 7 2HD2 LEU 7 5.302 9.846 -4.127 63 3HD2 LEU 7 3HD2 LEU 7 5.784 10.999 -5.372 64 H HIS 8 H HIS 8 10.726 10.163 -4.471 65 HA HIS 8 HA HIS 8 11.850 7.631 -5.472 66 1HB HIS 8 2HB HIS 8 13.217 9.825 -5.603 67 2HB HIS 8 1HB HIS 8 13.401 9.642 -3.862 68 HD1 HIS 8 1HD HIS 8 15.723 9.448 -6.039 69 HD2 HIS 8 2HD HIS 8 13.846 6.268 -4.132 70 HE1 HIS 8 1HE HIS 8 17.354 7.537 -6.155 71 HE2 HIS 8 2HE HIS 8 16.232 5.651 -4.917 72 H LYS 9 H LYS 9 11.436 5.970 -4.189 73 HA LYS 9 HA LYS 9 10.685 6.337 -1.435 74 1HB LYS 9 2HB LYS 9 10.471 3.856 -1.433 75 2HB LYS 9 1HB LYS 9 9.539 4.641 -2.701 76 1HG LYS 9 2HG LYS 9 12.251 3.803 -3.467 77 2HG LYS 9 1HG LYS 9 11.125 2.498 -3.087 78 1HD LYS 9 2HD LYS 9 9.835 2.904 -4.902 79 2HD LYS 9 1HD LYS 9 10.072 4.650 -4.809 80 1HE LYS 9 2HE LYS 9 12.580 3.687 -5.451 81 2HE LYS 9 1HE LYS 9 11.492 2.654 -6.376 82 1HZ LYS 9 1HZ LYS 9 10.625 4.467 -7.521 83 2HZ LYS 9 2HZ LYS 9 12.279 4.809 -7.445 84 3HZ LYS 9 3HZ LYS 9 11.206 5.595 -6.400 85 H GLU 10 H GLU 10 11.710 5.173 0.344 86 HA GLU 10 HA GLU 10 14.282 4.049 0.165 87 1HB GLU 10 2HB GLU 10 14.484 6.709 -0.212 88 2HB GLU 10 1HB GLU 10 14.554 6.658 1.544 89 1HG GLU 10 2HG GLU 10 16.626 5.838 1.552 90 2HG GLU 10 1HG GLU 10 16.276 4.689 0.261 91 H ALA 11 H ALA 11 14.578 2.855 1.941 92 HA ALA 11 HA ALA 11 13.457 3.750 4.483 93 1HB ALA 11 1HB ALA 11 12.762 1.108 3.211 94 2HB ALA 11 2HB ALA 11 11.664 2.435 3.584 95 3HB ALA 11 3HB ALA 11 12.429 1.531 4.890 96 H ALA 12 H ALA 12 14.492 0.450 3.756 97 HA ALA 12 HA ALA 12 17.175 0.510 4.213 98 1HB ALA 12 1HB ALA 12 15.729 1.153 6.658 99 2HB ALA 12 2HB ALA 12 17.439 1.339 6.269 100 3HB ALA 12 3HB ALA 12 16.830 -0.212 6.847 101 H THR 13 H THR 13 14.980 -1.252 6.381 102 HA THR 13 HA THR 13 15.129 -3.628 4.715 103 HB THR 13 HB THR 13 16.368 -3.479 7.466 104 HG1 THR 13 1HG THR 13 18.177 -3.649 6.422 105 1HG2 THR 13 1HG2 THR 13 15.085 -5.527 7.389 106 2HG2 THR 13 2HG2 THR 13 16.811 -5.876 7.281 107 3HG2 THR 13 3HG2 THR 13 15.805 -5.943 5.833 108 H LEU 14 H LEU 14 13.503 -5.094 5.116 109 HA LEU 14 HA LEU 14 11.390 -4.128 6.895 110 1HB LEU 14 2HB LEU 14 10.689 -4.473 4.631 111 2HB LEU 14 1HB LEU 14 11.389 -6.077 4.599 112 HG LEU 14 HG LEU 14 8.834 -5.844 4.793 113 1HD1 LEU 14 1HD1 LEU 14 8.682 -7.913 5.842 114 2HD1 LEU 14 2HD1 LEU 14 10.057 -7.590 6.895 115 3HD1 LEU 14 3HD1 LEU 14 10.315 -7.897 5.176 116 1HD2 LEU 14 1HD2 LEU 14 9.720 -4.940 7.488 117 2HD2 LEU 14 2HD2 LEU 14 8.249 -5.891 7.335 118 3HD2 LEU 14 3HD2 LEU 14 8.400 -4.356 6.481 119 H ILE 15 H ILE 15 11.100 -5.047 8.811 120 HA ILE 15 HA ILE 15 12.508 -7.427 9.556 121 HB ILE 15 HB ILE 15 10.403 -5.862 11.060 122 1HG1 ILE 15 2HG1 ILE 15 12.802 -5.494 12.342 123 2HG1 ILE 15 1HG1 ILE 15 13.297 -5.537 10.653 124 1HG2 ILE 15 1HG2 ILE 15 10.425 -8.036 11.989 125 2HG2 ILE 15 2HG2 ILE 15 11.415 -7.039 13.055 126 3HG2 ILE 15 3HG2 ILE 15 12.184 -8.133 11.906 127 1HD1 ILE 15 1HD1 ILE 15 12.849 -3.267 11.460 128 2HD1 ILE 15 2HD1 ILE 15 11.178 -3.727 11.785 129 3HD1 ILE 15 3HD1 ILE 15 11.789 -3.732 10.130 130 H LYS 16 H LYS 16 9.023 -6.621 9.442 131 HA LYS 16 HA LYS 16 8.246 -8.958 8.113 132 1HB LYS 16 2HB LYS 16 9.053 -9.948 10.312 133 2HB LYS 16 1HB LYS 16 7.687 -9.145 11.071 134 1HG LYS 16 2HG LYS 16 6.502 -10.468 8.989 135 2HG LYS 16 1HG LYS 16 7.783 -11.582 9.472 136 1HD LYS 16 2HD LYS 16 6.837 -12.005 11.491 137 2HD LYS 16 1HD LYS 16 6.193 -10.371 11.652 138 1HE LYS 16 2HE LYS 16 4.751 -11.329 9.547 139 2HE LYS 16 1HE LYS 16 4.968 -12.784 10.520 140 1HZ LYS 16 1HZ LYS 16 4.242 -11.170 12.429 141 2HZ LYS 16 2HZ LYS 16 3.088 -11.927 11.451 142 3HZ LYS 16 3HZ LYS 16 3.519 -10.318 11.158 143 H ALA 17 H ALA 17 6.087 -8.935 7.584 144 HA ALA 17 HA ALA 17 4.648 -6.513 8.274 145 1HB ALA 17 1HB ALA 17 3.152 -7.052 6.509 146 2HB ALA 17 2HB ALA 17 3.719 -8.722 6.453 147 3HB ALA 17 3HB ALA 17 4.779 -7.413 5.930 148 H ILE 18 H ILE 18 2.627 -6.441 9.300 149 HA ILE 18 HA ILE 18 1.945 -8.895 10.779 150 HB ILE 18 HB ILE 18 2.733 -7.027 12.184 151 1HG1 ILE 18 2HG1 ILE 18 1.009 -8.778 12.902 152 2HG1 ILE 18 1HG1 ILE 18 1.134 -7.327 13.888 153 1HG2 ILE 18 1HG2 ILE 18 0.989 -5.158 12.525 154 2HG2 ILE 18 2HG2 ILE 18 0.435 -5.603 10.914 155 3HG2 ILE 18 3HG2 ILE 18 2.094 -5.060 11.156 156 1HD1 ILE 18 1HD1 ILE 18 -1.141 -8.419 12.575 157 2HD1 ILE 18 2HD1 ILE 18 -0.820 -6.813 11.923 158 3HD1 ILE 18 3HD1 ILE 18 -1.041 -7.032 13.659 159 H ASP 19 H ASP 19 0.644 -6.272 8.839 160 HA ASP 19 HA ASP 19 -1.747 -7.843 8.375 161 1HB ASP 19 2HB ASP 19 -1.891 -6.052 10.419 162 2HB ASP 19 1HB ASP 19 -2.416 -5.054 9.065 163 H GLY 20 H GLY 20 0.077 -7.433 6.491 164 1HA GLY 20 2HA GLY 20 0.350 -6.679 4.341 165 2HA GLY 20 1HA GLY 20 -1.333 -6.185 4.414 166 H ASP 21 H ASP 21 -1.768 -4.076 5.490 167 HA ASP 21 HA ASP 21 0.004 -2.079 4.451 168 1HB ASP 21 2HB ASP 21 -1.649 -0.482 5.346 169 2HB ASP 21 1HB ASP 21 -2.429 -1.749 4.404 170 H THR 22 H THR 22 -0.711 -3.526 7.527 171 HA THR 22 HA THR 22 1.010 -1.646 8.938 172 HB THR 22 HB THR 22 -0.433 -4.002 10.145 173 HG1 THR 22 1HG THR 22 -2.114 -2.943 9.334 174 1HG2 THR 22 1HG2 THR 22 -0.566 -1.924 11.909 175 2HG2 THR 22 2HG2 THR 22 1.034 -1.720 11.197 176 3HG2 THR 22 3HG2 THR 22 0.598 -3.247 11.965 177 H VAL 23 H VAL 23 3.105 -2.079 8.768 178 HA VAL 23 HA VAL 23 4.033 -4.778 9.379 179 HB VAL 23 HB VAL 23 4.032 -5.036 7.072 180 1HG1 VAL 23 1HG1 VAL 23 4.939 -2.174 6.836 181 2HG1 VAL 23 2HG1 VAL 23 3.351 -2.829 6.430 182 3HG1 VAL 23 3HG1 VAL 23 4.766 -3.288 5.479 183 1HG2 VAL 23 1HG2 VAL 23 6.299 -5.112 6.369 184 2HG2 VAL 23 2HG2 VAL 23 6.289 -5.405 8.107 185 3HG2 VAL 23 3HG2 VAL 23 6.755 -3.823 7.482 186 H LYS 24 H LYS 24 6.246 -4.880 10.030 187 HA LYS 24 HA LYS 24 7.199 -2.335 11.113 188 1HB LYS 24 2HB LYS 24 7.328 -5.137 11.957 189 2HB LYS 24 1HB LYS 24 8.849 -4.276 12.148 190 1HG LYS 24 2HG LYS 24 6.501 -2.809 13.102 191 2HG LYS 24 1HG LYS 24 6.836 -4.310 13.969 192 1HD LYS 24 2HD LYS 24 8.928 -3.578 14.676 193 2HD LYS 24 1HD LYS 24 9.032 -2.349 13.414 194 1HE LYS 24 2HE LYS 24 8.422 -0.909 15.013 195 2HE LYS 24 1HE LYS 24 6.803 -1.574 14.801 196 1HZ LYS 24 1HZ LYS 24 6.925 -2.729 16.726 197 2HZ LYS 24 2HZ LYS 24 8.007 -1.497 17.139 198 3HZ LYS 24 3HZ LYS 24 8.593 -2.993 16.615 199 H LEU 25 H LEU 25 8.626 -1.268 9.946 200 HA LEU 25 HA LEU 25 10.620 -2.769 8.378 201 1HB LEU 25 2HB LEU 25 8.815 -0.896 7.496 202 2HB LEU 25 1HB LEU 25 10.256 0.071 7.743 203 HG LEU 25 HG LEU 25 10.675 -2.441 6.256 204 1HD1 LEU 25 1HD1 LEU 25 8.437 -0.980 5.562 205 2HD1 LEU 25 2HD1 LEU 25 9.316 -2.106 4.529 206 3HD1 LEU 25 3HD1 LEU 25 9.687 -0.384 4.469 207 1HD2 LEU 25 1HD2 LEU 25 12.566 -1.289 5.989 208 2HD2 LEU 25 2HD2 LEU 25 11.817 0.221 6.506 209 3HD2 LEU 25 3HD2 LEU 25 11.674 -0.306 4.829 210 H MET 26 H MET 26 12.722 -2.464 8.799 211 HA MET 26 HA MET 26 13.452 -0.840 11.070 212 1HB MET 26 2HB MET 26 14.370 -3.210 10.165 213 2HB MET 26 1HB MET 26 15.563 -2.135 9.449 214 1HG MET 26 2HG MET 26 16.039 -1.206 11.667 215 2HG MET 26 1HG MET 26 14.871 -2.323 12.372 216 1HE MET 26 1HE MET 26 16.751 -5.391 13.059 217 2HE MET 26 2HE MET 26 15.159 -4.678 12.804 218 3HE MET 26 3HE MET 26 16.278 -3.948 13.955 219 H TYR 27 H TYR 27 13.372 1.296 10.561 220 HA TYR 27 HA TYR 27 14.810 2.222 8.183 221 1HB TYR 27 2HB TYR 27 12.523 3.067 8.504 222 2HB TYR 27 1HB TYR 27 12.983 3.728 10.069 223 HD1 TYR 27 2HD TYR 27 14.671 5.594 10.151 224 HD2 TYR 27 1HD TYR 27 12.918 4.268 6.508 225 HE1 TYR 27 2HE TYR 27 15.345 7.696 9.069 226 HE2 TYR 27 1HE TYR 27 13.586 6.366 5.416 227 HH TYR 27 HH TYR 27 15.826 8.467 6.682 228 H LYS 28 H LYS 28 16.592 3.498 8.285 229 HA LYS 28 HA LYS 28 18.596 4.165 9.135 230 1HB LYS 28 2HB LYS 28 18.465 6.088 10.437 231 2HB LYS 28 1HB LYS 28 16.902 6.035 9.639 232 1HG LYS 28 2HG LYS 28 15.904 6.163 11.607 233 2HG LYS 28 1HG LYS 28 16.644 4.637 12.086 234 1HD LYS 28 2HD LYS 28 18.730 6.139 12.565 235 2HD LYS 28 1HD LYS 28 17.530 7.433 12.636 236 1HE LYS 28 2HE LYS 28 16.636 6.678 14.570 237 2HE LYS 28 1HE LYS 28 16.875 4.984 14.141 238 1HZ LYS 28 1HZ LYS 28 19.372 5.628 14.494 239 2HZ LYS 28 2HZ LYS 28 18.390 5.215 15.808 240 3HZ LYS 28 3HZ LYS 28 18.710 6.842 15.470 241 H GLY 29 H GLY 29 17.598 1.602 10.193 242 1HA GLY 29 2HA GLY 29 18.714 0.074 11.564 243 2HA GLY 29 1HA GLY 29 19.479 1.414 12.399 244 H GLN 30 H GLN 30 16.052 1.590 12.026 245 HA GLN 30 HA GLN 30 15.669 0.510 14.729 246 1HB GLN 30 2HB GLN 30 14.630 2.395 15.557 247 2HB GLN 30 1HB GLN 30 15.868 3.110 14.537 248 1HG GLN 30 2HG GLN 30 14.014 3.125 12.726 249 2HG GLN 30 1HG GLN 30 12.920 2.940 14.095 250 1HE2 GLN 30 1HE2 GLN 30 12.925 4.574 15.725 251 2HE2 GLN 30 2HE2 GLN 30 13.399 6.189 15.338 252 H ALA 31 H ALA 31 14.063 -0.901 14.834 253 HA ALA 31 HA ALA 31 12.377 -1.379 12.564 254 1HB ALA 31 1HB ALA 31 11.452 -3.209 13.915 255 2HB ALA 31 2HB ALA 31 12.374 -2.636 15.305 256 3HB ALA 31 3HB ALA 31 13.215 -3.239 13.877 257 H MET 32 H MET 32 10.979 0.310 12.248 258 HA MET 32 HA MET 32 9.164 0.981 14.464 259 1HB MET 32 2HB MET 32 8.607 2.990 12.995 260 2HB MET 32 1HB MET 32 10.205 2.966 13.730 261 1HG MET 32 2HG MET 32 11.238 2.378 11.691 262 2HG MET 32 1HG MET 32 9.690 2.008 10.933 263 1HE MET 32 1HE MET 32 8.020 5.394 11.556 264 2HE MET 32 2HE MET 32 7.826 3.666 11.259 265 3HE MET 32 3HE MET 32 8.032 4.777 9.904 266 H THR 33 H THR 33 6.912 1.180 14.034 267 HA THR 33 HA THR 33 5.951 -0.823 12.206 268 HB THR 33 HB THR 33 4.027 0.960 13.587 269 HG1 THR 33 1HG THR 33 4.942 0.753 15.445 270 1HG2 THR 33 1HG2 THR 33 3.195 -1.337 14.348 271 2HG2 THR 33 2HG2 THR 33 4.311 -1.982 13.144 272 3HG2 THR 33 3HG2 THR 33 3.009 -0.899 12.650 273 H PHE 34 H PHE 34 5.766 -0.372 10.121 274 HA PHE 34 HA PHE 34 5.046 2.329 9.263 275 1HB PHE 34 2HB PHE 34 6.368 -0.015 7.988 276 2HB PHE 34 1HB PHE 34 5.453 1.067 6.944 277 HD1 PHE 34 2HD PHE 34 8.344 0.782 9.186 278 HD2 PHE 34 1HD PHE 34 6.226 3.278 6.465 279 HE1 PHE 34 2HE PHE 34 10.269 2.312 9.095 280 HE2 PHE 34 1HE PHE 34 8.147 4.813 6.372 281 HZ PHE 34 HZ PHE 34 10.172 4.330 7.688 282 H ARG 35 H ARG 35 3.166 2.824 8.254 283 HA ARG 35 HA ARG 35 1.280 0.629 7.720 284 1HB ARG 35 2HB ARG 35 0.995 2.924 9.504 285 2HB ARG 35 1HB ARG 35 -0.319 2.800 8.341 286 1HG ARG 35 2HG ARG 35 -1.189 1.497 9.969 287 2HG ARG 35 1HG ARG 35 -0.249 0.261 9.129 288 1HD ARG 35 2HD ARG 35 1.370 0.194 10.761 289 2HD ARG 35 1HD ARG 35 1.044 1.839 11.302 290 HE ARG 35 HE ARG 35 -1.182 0.170 11.817 291 1HH1 ARG 35 1HH1 ARG 35 2.043 0.857 12.960 292 2HH1 ARG 35 2HH1 ARG 35 1.710 0.355 14.583 293 1HH2 ARG 35 1HH2 ARG 35 -1.622 -0.491 13.951 294 2HH2 ARG 35 2HH2 ARG 35 -0.371 -0.411 15.146 295 H LEU 36 H LEU 36 0.743 0.565 5.647 296 HA LEU 36 HA LEU 36 1.509 2.343 3.696 297 1HB LEU 36 2HB LEU 36 -0.479 0.173 3.882 298 2HB LEU 36 1HB LEU 36 -0.739 1.319 2.580 299 HG LEU 36 HG LEU 36 1.889 -0.095 2.996 300 1HD1 LEU 36 1HD1 LEU 36 0.952 -1.386 0.905 301 2HD1 LEU 36 2HD1 LEU 36 -0.602 -0.999 1.645 302 3HD1 LEU 36 3HD1 LEU 36 0.597 -1.926 2.546 303 1HD2 LEU 36 1HD2 LEU 36 1.991 0.451 0.490 304 2HD2 LEU 36 2HD2 LEU 36 2.233 1.768 1.636 305 3HD2 LEU 36 3HD2 LEU 36 0.680 1.581 0.824 306 H LEU 37 H LEU 37 0.688 4.137 2.736 307 HA LEU 37 HA LEU 37 -1.435 5.515 4.177 308 1HB LEU 37 2HB LEU 37 0.871 6.289 2.562 309 2HB LEU 37 1HB LEU 37 -0.569 7.211 2.175 310 HG LEU 37 HG LEU 37 0.622 6.947 4.936 311 1HD1 LEU 37 1HD1 LEU 37 0.583 9.441 3.285 312 2HD1 LEU 37 2HD1 LEU 37 1.888 8.269 3.115 313 3HD1 LEU 37 3HD1 LEU 37 1.590 9.036 4.675 314 1HD2 LEU 37 1HD2 LEU 37 -1.765 7.290 5.030 315 2HD2 LEU 37 2HD2 LEU 37 -1.653 8.618 3.873 316 3HD2 LEU 37 3HD2 LEU 37 -0.941 8.782 5.479 317 H LEU 38 H LEU 38 -3.457 5.629 3.463 318 HA LEU 38 HA LEU 38 -5.289 5.558 2.120 319 1HB LEU 38 2HB LEU 38 -3.157 6.556 0.367 320 2HB LEU 38 1HB LEU 38 -4.485 5.798 -0.490 321 HG LEU 38 HG LEU 38 -4.682 8.136 1.408 322 1HD1 LEU 38 1HD1 LEU 38 -3.763 8.714 -0.769 323 2HD1 LEU 38 2HD1 LEU 38 -5.394 9.359 -0.585 324 3HD1 LEU 38 3HD1 LEU 38 -5.120 7.919 -1.567 325 1HD2 LEU 38 1HD2 LEU 38 -6.669 6.950 1.747 326 2HD2 LEU 38 2HD2 LEU 38 -6.780 6.472 0.052 327 3HD2 LEU 38 3HD2 LEU 38 -7.081 8.147 0.520 328 H VAL 39 H VAL 39 -3.894 3.128 2.791 329 HA VAL 39 HA VAL 39 -4.956 1.432 0.646 330 HB VAL 39 HB VAL 39 -2.406 0.586 1.959 331 1HG1 VAL 39 1HG1 VAL 39 -2.209 -0.380 -0.463 332 2HG1 VAL 39 2HG1 VAL 39 -3.946 -0.081 -0.504 333 3HG1 VAL 39 3HG1 VAL 39 -3.264 -1.149 0.722 334 1HG2 VAL 39 1HG2 VAL 39 -1.156 1.555 0.026 335 2HG2 VAL 39 2HG2 VAL 39 -1.797 2.754 1.149 336 3HG2 VAL 39 3HG2 VAL 39 -2.609 2.464 -0.391 337 H ASP 40 H ASP 40 -5.677 -0.607 1.327 338 HA ASP 40 HA ASP 40 -5.611 -1.141 4.209 339 1HB ASP 40 2HB ASP 40 -7.899 -0.219 2.787 340 2HB ASP 40 1HB ASP 40 -8.181 -1.904 3.215 341 H THR 41 H THR 41 -4.565 -3.008 4.315 342 HA THR 41 HA THR 41 -5.290 -5.127 2.401 343 HB THR 41 HB THR 41 -2.711 -4.906 3.954 344 HG1 THR 41 1HG THR 41 -2.204 -3.441 2.561 345 1HG2 THR 41 1HG2 THR 41 -3.726 -6.771 1.887 346 2HG2 THR 41 2HG2 THR 41 -2.697 -7.077 3.287 347 3HG2 THR 41 3HG2 THR 41 -2.022 -6.319 1.844 348 H ALA 42 H ALA 42 -6.997 -5.928 3.626 349 HA ALA 42 HA ALA 42 -7.891 -7.509 5.017 350 1HB ALA 42 1HB ALA 42 -5.300 -7.805 6.490 351 2HB ALA 42 2HB ALA 42 -5.513 -8.505 4.887 352 3HB ALA 42 3HB ALA 42 -6.568 -8.998 6.210 353 H GLU 43 H GLU 43 -8.909 -7.478 7.010 354 HA GLU 43 HA GLU 43 -8.034 -5.817 9.164 355 1HB GLU 43 2HB GLU 43 -8.943 -4.156 7.492 356 2HB GLU 43 1HB GLU 43 -10.519 -4.903 7.712 357 1HG GLU 43 2HG GLU 43 -9.935 -4.417 10.266 358 2HG GLU 43 1HG GLU 43 -8.983 -3.138 9.515 359 H THR 44 H THR 44 -8.780 -8.525 8.855 360 HA THR 44 HA THR 44 -11.406 -9.126 9.585 361 HB THR 44 HB THR 44 -10.444 -11.262 10.465 362 HG1 THR 44 1HG THR 44 -8.423 -10.180 11.122 363 1HG2 THR 44 1HG2 THR 44 -9.165 -10.566 7.843 364 2HG2 THR 44 2HG2 THR 44 -10.891 -10.883 8.014 365 3HG2 THR 44 3HG2 THR 44 -9.720 -12.141 8.410 366 H LYS 45 H LYS 45 -12.132 -7.681 11.156 367 HA LYS 45 HA LYS 45 -10.816 -7.755 13.771 368 1HB LYS 45 2HB LYS 45 -12.224 -5.851 14.343 369 2HB LYS 45 1HB LYS 45 -11.367 -5.549 12.838 370 1HG LYS 45 2HG LYS 45 -13.410 -4.837 12.196 371 2HG LYS 45 1HG LYS 45 -13.620 -6.551 11.828 372 1HD LYS 45 2HD LYS 45 -14.967 -6.916 13.662 373 2HD LYS 45 1HD LYS 45 -14.290 -5.556 14.561 374 1HE LYS 45 2HE LYS 45 -15.740 -4.922 12.060 375 2HE LYS 45 1HE LYS 45 -16.709 -5.495 13.417 376 1HZ LYS 45 1HZ LYS 45 -16.281 -3.645 14.625 377 2HZ LYS 45 2HZ LYS 45 -16.118 -2.959 13.088 378 3HZ LYS 45 3HZ LYS 45 -14.742 -3.408 13.963 379 H HIS 46 H HIS 46 -12.493 -9.942 12.576 380 HA HIS 46 HA HIS 46 -14.336 -10.222 14.848 381 1HB HIS 46 2HB HIS 46 -15.353 -9.673 12.464 382 2HB HIS 46 1HB HIS 46 -15.109 -11.398 12.214 383 HD1 HIS 46 1HD HIS 46 -17.944 -10.333 12.220 384 HD2 HIS 46 2HD HIS 46 -16.017 -11.690 15.642 385 HE1 HIS 46 1HE HIS 46 -19.779 -10.965 13.818 386 HE2 HIS 46 2HE HIS 46 -18.589 -11.700 15.914 387 H THR 47 H THR 47 -12.397 -11.800 12.359 388 HA THR 47 HA THR 47 -11.186 -13.732 12.423 389 HB THR 47 HB THR 47 -12.216 -14.446 15.142 390 HG1 THR 47 1HG THR 47 -10.630 -13.038 16.020 391 1HG2 THR 47 1HG2 THR 47 -10.272 -15.566 15.434 392 2HG2 THR 47 2HG2 THR 47 -9.349 -14.460 14.415 393 3HG2 THR 47 3HG2 THR 47 -10.391 -15.677 13.678 394 H LYS 48 H LYS 48 -13.460 -13.797 11.074 395 HA LYS 48 HA LYS 48 -15.297 -15.808 11.916 396 1HB LYS 48 2HB LYS 48 -15.666 -13.894 10.225 397 2HB LYS 48 1HB LYS 48 -14.881 -14.955 9.061 398 1HG LYS 48 2HG LYS 48 -16.602 -16.682 9.584 399 2HG LYS 48 1HG LYS 48 -17.428 -15.479 10.575 400 1HD LYS 48 2HD LYS 48 -16.831 -15.225 7.628 401 2HD LYS 48 1HD LYS 48 -18.400 -15.620 8.331 402 1HE LYS 48 2HE LYS 48 -16.856 -13.059 8.728 403 2HE LYS 48 1HE LYS 48 -18.295 -13.266 7.730 404 1HZ LYS 48 1HZ LYS 48 -19.352 -14.076 9.920 405 2HZ LYS 48 2HZ LYS 48 -19.140 -12.415 9.682 406 3HZ LYS 48 3HZ LYS 48 -18.063 -13.272 10.666 407 H LYS 49 H LYS 49 -12.500 -15.751 9.766 408 HA LYS 49 HA LYS 49 -11.784 -18.409 10.204 409 1HB LYS 49 2HB LYS 49 -12.341 -19.250 7.831 410 2HB LYS 49 1HB LYS 49 -13.624 -19.241 9.032 411 1HG LYS 49 2HG LYS 49 -14.860 -18.122 7.576 412 2HG LYS 49 1HG LYS 49 -13.785 -16.744 7.818 413 1HD LYS 49 2HD LYS 49 -14.027 -17.284 5.444 414 2HD LYS 49 1HD LYS 49 -12.366 -17.517 5.991 415 1HE LYS 49 2HE LYS 49 -12.409 -19.692 5.490 416 2HE LYS 49 1HE LYS 49 -13.969 -19.921 6.279 417 1HZ LYS 49 1HZ LYS 49 -15.072 -19.135 4.302 418 2HZ LYS 49 2HZ LYS 49 -14.042 -20.415 3.899 419 3HZ LYS 49 3HZ LYS 49 -13.590 -18.824 3.546 420 H GLY 50 H GLY 50 -11.827 -15.714 7.939 421 1HA GLY 50 2HA GLY 50 -9.573 -14.687 7.632 422 2HA GLY 50 1HA GLY 50 -9.004 -16.315 7.299 423 H VAL 51 H VAL 51 -12.116 -15.454 6.074 424 HA VAL 51 HA VAL 51 -11.006 -14.732 3.466 425 HB VAL 51 HB VAL 51 -13.090 -16.898 3.730 426 1HG1 VAL 51 1HG1 VAL 51 -11.911 -15.397 1.511 427 2HG1 VAL 51 2HG1 VAL 51 -13.426 -16.295 1.598 428 3HG1 VAL 51 3HG1 VAL 51 -11.915 -17.145 1.279 429 1HG2 VAL 51 1HG2 VAL 51 -11.345 -18.155 4.427 430 2HG2 VAL 51 2HG2 VAL 51 -10.144 -17.037 3.783 431 3HG2 VAL 51 3HG2 VAL 51 -10.950 -18.178 2.708 432 H GLU 52 H GLU 52 -12.446 -13.261 5.524 433 HA GLU 52 HA GLU 52 -15.145 -12.908 4.590 434 1HB GLU 52 2HB GLU 52 -15.110 -10.953 6.198 435 2HB GLU 52 1HB GLU 52 -14.811 -12.534 6.907 436 1HG GLU 52 2HG GLU 52 -12.510 -12.104 7.150 437 2HG GLU 52 1HG GLU 52 -12.587 -10.688 6.102 438 H LYS 53 H LYS 53 -12.056 -11.604 3.819 439 HA LYS 53 HA LYS 53 -13.081 -10.127 1.623 440 1HB LYS 53 2HB LYS 53 -12.247 -7.882 2.408 441 2HB LYS 53 1HB LYS 53 -13.706 -8.457 3.202 442 1HG LYS 53 2HG LYS 53 -11.364 -9.306 4.645 443 2HG LYS 53 1HG LYS 53 -11.358 -7.557 4.407 444 1HD LYS 53 2HD LYS 53 -13.735 -9.077 5.464 445 2HD LYS 53 1HD LYS 53 -12.499 -8.365 6.504 446 1HE LYS 53 2HE LYS 53 -12.999 -6.193 5.171 447 2HE LYS 53 1HE LYS 53 -14.500 -7.012 4.737 448 1HZ LYS 53 1HZ LYS 53 -14.560 -7.402 7.327 449 2HZ LYS 53 2HZ LYS 53 -15.158 -5.981 6.632 450 3HZ LYS 53 3HZ LYS 53 -13.618 -5.996 7.332 451 H TYR 54 H TYR 54 -11.128 -12.149 2.111 452 HA TYR 54 HA TYR 54 -9.043 -12.755 1.439 453 1HB TYR 54 2HB TYR 54 -9.493 -10.205 -0.047 454 2HB TYR 54 1HB TYR 54 -7.873 -10.895 -0.046 455 HD1 TYR 54 1HD TYR 54 -7.460 -13.090 -1.078 456 HD2 TYR 54 2HD TYR 54 -11.287 -11.241 -1.260 457 HE1 TYR 54 1HE TYR 54 -8.110 -14.628 -2.882 458 HE2 TYR 54 2HE TYR 54 -11.948 -12.774 -3.064 459 HH TYR 54 HH TYR 54 -10.963 -15.369 -3.729 460 H GLY 55 H GLY 55 -8.957 -12.160 3.950 461 1HA GLY 55 2HA GLY 55 -7.017 -10.039 4.458 462 2HA GLY 55 1HA GLY 55 -7.869 -10.981 5.672 463 H ALA 56 H ALA 56 -7.258 -13.560 4.674 464 HA ALA 56 HA ALA 56 -4.761 -14.001 5.900 465 1HB ALA 56 1HB ALA 56 -5.717 -16.064 4.024 466 2HB ALA 56 2HB ALA 56 -6.855 -15.584 5.283 467 3HB ALA 56 3HB ALA 56 -5.259 -16.194 5.723 468 H GLU 57 H GLU 57 -5.729 -13.715 2.520 469 HA GLU 57 HA GLU 57 -3.103 -14.355 1.524 470 1HB GLU 57 2HB GLU 57 -5.440 -14.650 0.373 471 2HB GLU 57 1HB GLU 57 -5.197 -12.979 -0.117 472 1HG GLU 57 2HG GLU 57 -3.681 -13.525 -1.660 473 2HG GLU 57 1HG GLU 57 -2.890 -14.698 -0.609 474 H ALA 58 H ALA 58 -4.888 -11.484 2.366 475 HA ALA 58 HA ALA 58 -3.402 -9.561 0.978 476 1HB ALA 58 1HB ALA 58 -4.160 -8.401 3.420 477 2HB ALA 58 2HB ALA 58 -5.403 -9.592 3.037 478 3HB ALA 58 3HB ALA 58 -5.013 -8.322 1.878 479 H SER 59 H SER 59 -2.996 -10.826 4.275 480 HA SER 59 HA SER 59 -0.648 -9.308 4.810 481 1HB SER 59 2HB SER 59 -1.443 -11.866 6.203 482 2HB SER 59 1HB SER 59 -0.515 -10.516 6.855 483 HG SER 59 HG SER 59 -3.254 -10.804 6.530 484 H ALA 60 H ALA 60 -1.254 -12.587 3.651 485 HA ALA 60 HA ALA 60 1.389 -13.532 3.782 486 1HB ALA 60 1HB ALA 60 -1.107 -14.363 2.464 487 2HB ALA 60 2HB ALA 60 0.059 -15.307 3.392 488 3HB ALA 60 3HB ALA 60 0.378 -14.929 1.699 489 H PHE 61 H PHE 61 -0.403 -11.998 1.123 490 HA PHE 61 HA PHE 61 1.596 -12.125 -0.820 491 1HB PHE 61 2HB PHE 61 -0.644 -11.530 -1.447 492 2HB PHE 61 1HB PHE 61 -0.627 -10.123 -0.393 493 HD1 PHE 61 1HD PHE 61 1.031 -8.254 -0.956 494 HD2 PHE 61 2HD PHE 61 -0.042 -11.342 -3.681 495 HE1 PHE 61 1HE PHE 61 1.795 -6.857 -2.832 496 HE2 PHE 61 2HE PHE 61 0.722 -9.952 -5.563 497 HZ PHE 61 HZ PHE 61 1.641 -7.705 -5.140 498 H THR 62 H THR 62 0.854 -9.524 1.485 499 HA THR 62 HA THR 62 3.050 -7.895 0.678 500 HB THR 62 HB THR 62 1.417 -7.818 3.221 501 HG1 THR 62 1HG THR 62 0.159 -6.341 2.140 502 1HG2 THR 62 1HG2 THR 62 3.665 -6.251 2.403 503 2HG2 THR 62 2HG2 THR 62 2.719 -6.167 3.890 504 3HG2 THR 62 3HG2 THR 62 2.218 -5.245 2.472 505 H LYS 63 H LYS 63 2.564 -10.352 3.124 506 HA LYS 63 HA LYS 63 4.955 -9.820 4.579 507 1HB LYS 63 2HB LYS 63 3.175 -10.962 5.694 508 2HB LYS 63 1HB LYS 63 3.113 -12.207 4.456 509 1HG LYS 63 2HG LYS 63 5.737 -12.190 5.524 510 2HG LYS 63 1HG LYS 63 4.600 -12.166 6.874 511 1HD LYS 63 2HD LYS 63 3.441 -14.013 5.268 512 2HD LYS 63 1HD LYS 63 5.146 -14.274 4.893 513 1HE LYS 63 2HE LYS 63 5.510 -14.323 7.423 514 2HE LYS 63 1HE LYS 63 3.758 -14.480 7.551 515 1HZ LYS 63 1HZ LYS 63 4.270 -16.658 7.448 516 2HZ LYS 63 2HZ LYS 63 5.733 -16.409 6.637 517 3HZ LYS 63 3HZ LYS 63 4.275 -16.381 5.779 518 H LYS 64 H LYS 64 4.085 -12.181 2.072 519 HA LYS 64 HA LYS 64 6.698 -13.356 2.026 520 1HB LYS 64 2HB LYS 64 5.885 -14.646 0.136 521 2HB LYS 64 1HB LYS 64 4.679 -14.631 1.415 522 1HG LYS 64 2HG LYS 64 3.215 -14.050 -0.144 523 2HG LYS 64 1HG LYS 64 3.986 -12.463 -0.144 524 1HD LYS 64 2HD LYS 64 4.933 -12.796 -2.151 525 2HD LYS 64 1HD LYS 64 5.374 -14.461 -1.772 526 1HE LYS 64 2HE LYS 64 3.699 -15.191 -3.033 527 2HE LYS 64 1HE LYS 64 2.549 -14.346 -1.996 528 1HZ LYS 64 1HZ LYS 64 3.891 -13.297 -4.425 529 2HZ LYS 64 2HZ LYS 64 3.007 -12.325 -3.358 530 3HZ LYS 64 3HZ LYS 64 2.237 -13.574 -4.200 531 H MET 65 H MET 65 5.039 -10.841 0.238 532 HA MET 65 HA MET 65 6.933 -10.655 -1.876 533 1HB MET 65 2HB MET 65 4.628 -9.803 -2.066 534 2HB MET 65 1HB MET 65 4.985 -8.581 -0.854 535 1HG MET 65 2HG MET 65 5.669 -7.218 -2.447 536 2HG MET 65 1HG MET 65 6.959 -8.350 -2.850 537 1HE MET 65 1HE MET 65 6.033 -9.999 -5.984 538 2HE MET 65 2HE MET 65 5.635 -10.864 -4.500 539 3HE MET 65 3HE MET 65 7.082 -9.859 -4.575 540 H VAL 66 H VAL 66 6.664 -9.200 1.302 541 HA VAL 66 HA VAL 66 8.803 -7.319 0.810 542 HB VAL 66 HB VAL 66 8.595 -6.710 3.160 543 1HG1 VAL 66 1HG1 VAL 66 7.106 -5.452 1.967 544 2HG1 VAL 66 2HG1 VAL 66 6.005 -6.263 3.081 545 3HG1 VAL 66 3HG1 VAL 66 6.182 -6.854 1.428 546 1HG2 VAL 66 1HG2 VAL 66 6.703 -9.049 3.295 547 2HG2 VAL 66 2HG2 VAL 66 6.775 -7.785 4.523 548 3HG2 VAL 66 3HG2 VAL 66 8.184 -8.801 4.217 549 H GLU 67 H GLU 67 8.385 -10.299 2.695 550 HA GLU 67 HA GLU 67 11.031 -10.347 3.710 551 1HB GLU 67 2HB GLU 67 8.926 -12.487 3.414 552 2HB GLU 67 1HB GLU 67 10.490 -12.788 4.159 553 1HG GLU 67 2HG GLU 67 8.995 -10.477 5.204 554 2HG GLU 67 1HG GLU 67 8.288 -12.062 5.516 555 H ASN 68 H ASN 68 9.702 -11.171 0.652 556 HA ASN 68 HA ASN 68 11.979 -12.863 -0.048 557 1HB ASN 68 2HB ASN 68 9.426 -12.173 -1.505 558 2HB ASN 68 1HB ASN 68 10.730 -13.098 -2.243 559 1HD2 ASN 68 1HD2 ASN 68 9.414 -14.900 -2.488 560 2HD2 ASN 68 2HD2 ASN 68 8.965 -15.897 -1.150 561 H ALA 69 H ALA 69 10.642 -9.695 -0.689 562 HA ALA 69 HA ALA 69 12.060 -8.973 -2.963 563 1HB ALA 69 1HB ALA 69 11.765 -6.645 -2.207 564 2HB ALA 69 2HB ALA 69 11.238 -7.244 -0.634 565 3HB ALA 69 3HB ALA 69 10.285 -7.596 -2.077 566 H LYS 70 H LYS 70 13.013 -8.645 0.440 567 HA LYS 70 HA LYS 70 15.110 -8.793 1.377 568 1HB LYS 70 2HB LYS 70 16.368 -8.391 -1.332 569 2HB LYS 70 1HB LYS 70 17.096 -9.073 0.115 570 1HG LYS 70 2HG LYS 70 14.789 -10.604 -0.634 571 2HG LYS 70 1HG LYS 70 15.889 -10.442 -2.005 572 1HD LYS 70 2HD LYS 70 17.737 -11.113 -0.368 573 2HD LYS 70 1HD LYS 70 16.433 -11.612 0.710 574 1HE LYS 70 2HE LYS 70 15.879 -13.401 -0.567 575 2HE LYS 70 1HE LYS 70 16.279 -12.582 -2.076 576 1HZ LYS 70 1HZ LYS 70 18.615 -12.932 -1.622 577 2HZ LYS 70 2HZ LYS 70 17.797 -14.411 -1.598 578 3HZ LYS 70 3HZ LYS 70 18.255 -13.675 -0.146 579 H LYS 71 H LYS 71 14.336 -6.383 -1.037 580 HA LYS 71 HA LYS 71 15.653 -4.364 0.653 581 1HB LYS 71 2HB LYS 71 16.923 -4.633 -1.415 582 2HB LYS 71 1HB LYS 71 15.462 -4.406 -2.366 583 1HG LYS 71 2HG LYS 71 15.526 -2.139 -0.829 584 2HG LYS 71 1HG LYS 71 17.234 -2.439 -1.151 585 1HD LYS 71 2HD LYS 71 15.188 -2.514 -3.346 586 2HD LYS 71 1HD LYS 71 15.925 -0.996 -2.824 587 1HE LYS 71 2HE LYS 71 18.073 -1.693 -3.471 588 2HE LYS 71 1HE LYS 71 17.581 -3.382 -3.589 589 1HZ LYS 71 1HZ LYS 71 17.620 -2.761 -5.777 590 2HZ LYS 71 2HZ LYS 71 17.113 -1.177 -5.471 591 3HZ LYS 71 3HZ LYS 71 15.999 -2.447 -5.408 592 H ILE 72 H ILE 72 14.218 -3.028 1.530 593 HA ILE 72 HA ILE 72 11.735 -2.475 0.043 594 HB ILE 72 HB ILE 72 12.001 -2.599 3.046 595 1HG1 ILE 72 2HG1 ILE 72 10.448 -4.638 2.665 596 2HG1 ILE 72 1HG1 ILE 72 11.061 -4.610 1.015 597 1HG2 ILE 72 1HG2 ILE 72 10.217 -1.206 2.736 598 2HG2 ILE 72 2HG2 ILE 72 9.396 -2.765 2.650 599 3HG2 ILE 72 3HG2 ILE 72 9.804 -1.901 1.169 600 1HD1 ILE 72 1HD1 ILE 72 12.176 -6.114 2.825 601 2HD1 ILE 72 2HD1 ILE 72 12.993 -4.617 3.276 602 3HD1 ILE 72 3HD1 ILE 72 13.164 -5.259 1.643 603 H GLU 73 H GLU 73 11.019 -0.419 -0.075 604 HA GLU 73 HA GLU 73 12.514 1.675 1.342 605 1HB GLU 73 2HB GLU 73 11.967 1.458 -1.607 606 2HB GLU 73 1HB GLU 73 12.228 3.022 -0.847 607 1HG GLU 73 2HG GLU 73 14.382 2.687 -1.264 608 2HG GLU 73 1HG GLU 73 14.342 1.550 0.082 609 H VAL 74 H VAL 74 11.314 3.477 1.936 610 HA VAL 74 HA VAL 74 8.444 3.400 1.275 611 HB VAL 74 HB VAL 74 7.971 4.255 3.559 612 1HG1 VAL 74 1HG1 VAL 74 9.057 1.554 2.996 613 2HG1 VAL 74 2HG1 VAL 74 7.435 2.047 3.485 614 3HG1 VAL 74 3HG1 VAL 74 8.731 1.968 4.679 615 1HG2 VAL 74 1HG2 VAL 74 10.364 3.290 4.827 616 2HG2 VAL 74 2HG2 VAL 74 9.585 4.866 4.960 617 3HG2 VAL 74 3HG2 VAL 74 10.753 4.567 3.675 618 H GLU 75 H GLU 75 7.377 5.388 1.149 619 HA GLU 75 HA GLU 75 9.102 7.773 1.168 620 1HB GLU 75 2HB GLU 75 8.756 7.057 -1.149 621 2HB GLU 75 1HB GLU 75 7.016 7.068 -0.905 622 1HG GLU 75 2HG GLU 75 7.349 9.067 -1.970 623 2HG GLU 75 1HG GLU 75 7.383 9.560 -0.278 624 H PHE 76 H PHE 76 8.378 9.146 2.645 625 HA PHE 76 HA PHE 76 5.650 9.013 3.592 626 1HB PHE 76 2HB PHE 76 8.113 10.509 4.426 627 2HB PHE 76 1HB PHE 76 6.536 11.015 5.025 628 HD1 PHE 76 1HD PHE 76 9.033 8.326 5.027 629 HD2 PHE 76 2HD PHE 76 5.340 9.707 6.633 630 HE1 PHE 76 1HE PHE 76 9.156 6.605 6.780 631 HE2 PHE 76 2HE PHE 76 5.458 7.987 8.389 632 HZ PHE 76 HZ PHE 76 7.368 6.433 8.464 633 H ASP 77 H ASP 77 4.052 10.073 2.647 634 HA ASP 77 HA ASP 77 4.517 12.149 0.737 635 1HB ASP 77 2HB ASP 77 2.513 10.351 1.103 636 2HB ASP 77 1HB ASP 77 1.775 11.799 1.780 637 H LYS 78 H LYS 78 2.483 13.948 1.146 638 HA LYS 78 HA LYS 78 3.550 15.487 3.388 639 1HB LYS 78 2HB LYS 78 2.231 16.141 0.818 640 2HB LYS 78 1HB LYS 78 1.879 17.215 2.166 641 1HG LYS 78 2HG LYS 78 3.701 18.202 1.117 642 2HG LYS 78 1HG LYS 78 4.415 17.343 2.483 643 1HD LYS 78 2HD LYS 78 5.796 16.396 1.007 644 2HD LYS 78 1HD LYS 78 4.406 15.465 0.447 645 1HE LYS 78 2HE LYS 78 4.874 16.388 -1.545 646 2HE LYS 78 1HE LYS 78 4.049 17.800 -0.888 647 1HZ LYS 78 1HZ LYS 78 6.873 17.381 -1.410 648 2HZ LYS 78 2HZ LYS 78 6.513 18.197 0.027 649 3HZ LYS 78 3HZ LYS 78 5.963 18.806 -1.451 650 H GLY 79 H GLY 79 0.812 13.628 2.562 651 1HA GLY 79 2HA GLY 79 -1.278 14.908 3.860 652 2HA GLY 79 1HA GLY 79 -1.123 13.166 3.700 653 H GLN 80 H GLN 80 -0.584 11.959 5.453 654 HA GLN 80 HA GLN 80 0.077 13.412 7.926 655 1HB GLN 80 2HB GLN 80 -2.251 12.759 8.040 656 2HB GLN 80 1HB GLN 80 -1.851 11.110 7.580 657 1HG GLN 80 2HG GLN 80 -0.932 10.619 9.645 658 2HG GLN 80 1HG GLN 80 -0.682 12.316 10.049 659 1HE2 GLN 80 1HE2 GLN 80 -1.963 12.977 11.604 660 2HE2 GLN 80 2HE2 GLN 80 -3.593 12.470 11.875 661 H ARG 81 H ARG 81 1.681 12.585 9.150 662 HA ARG 81 HA ARG 81 3.193 10.365 8.051 663 1HB ARG 81 2HB ARG 81 4.175 12.580 8.912 664 2HB ARG 81 1HB ARG 81 3.894 11.933 10.523 665 1HG ARG 81 2HG ARG 81 5.305 10.097 8.742 666 2HG ARG 81 1HG ARG 81 6.169 11.602 9.060 667 1HD ARG 81 2HD ARG 81 4.996 9.849 11.213 668 2HD ARG 81 1HD ARG 81 6.666 9.737 10.660 669 HE ARG 81 HE ARG 81 5.560 11.711 12.408 670 1HH1 ARG 81 1HH1 ARG 81 8.039 11.129 10.022 671 2HH1 ARG 81 2HH1 ARG 81 9.090 12.365 10.629 672 1HH2 ARG 81 1HH2 ARG 81 6.940 13.336 13.209 673 2HH2 ARG 81 2HH2 ARG 81 8.466 13.617 12.439 674 H THR 82 H THR 82 1.090 11.045 10.724 675 HA THR 82 HA THR 82 1.305 8.247 11.567 676 HB THR 82 HB THR 82 1.438 8.781 13.877 677 HG1 THR 82 1HG THR 82 0.950 11.446 13.069 678 1HG2 THR 82 1HG2 THR 82 3.625 8.933 13.124 679 2HG2 THR 82 2HG2 THR 82 3.388 10.435 14.017 680 3HG2 THR 82 3HG2 THR 82 3.325 10.437 12.255 681 H ASP 83 H ASP 83 -0.648 7.455 11.155 682 HA ASP 83 HA ASP 83 -3.006 9.039 11.052 683 1HB ASP 83 2HB ASP 83 -2.391 6.748 9.890 684 2HB ASP 83 1HB ASP 83 -3.139 6.065 11.330 685 H LYS 84 H LYS 84 -2.454 9.867 13.348 686 HA LYS 84 HA LYS 84 -2.982 10.024 15.556 687 1HB LYS 84 2HB LYS 84 -5.324 8.309 14.717 688 2HB LYS 84 1HB LYS 84 -5.228 9.275 16.183 689 1HG LYS 84 2HG LYS 84 -4.927 10.554 13.497 690 2HG LYS 84 1HG LYS 84 -6.524 10.196 14.156 691 1HD LYS 84 2HD LYS 84 -5.131 11.415 16.247 692 2HD LYS 84 1HD LYS 84 -4.701 12.340 14.807 693 1HE LYS 84 2HE LYS 84 -7.373 12.045 14.456 694 2HE LYS 84 1HE LYS 84 -7.272 12.110 16.214 695 1HZ LYS 84 1HZ LYS 84 -7.548 14.313 15.418 696 2HZ LYS 84 2HZ LYS 84 -6.304 14.143 14.284 697 3HZ LYS 84 3HZ LYS 84 -5.942 14.179 15.936 698 H TYR 85 H TYR 85 -1.378 7.659 14.620 699 HA TYR 85 HA TYR 85 -1.651 6.107 17.091 700 1HB TYR 85 2HB TYR 85 -1.820 5.086 14.304 701 2HB TYR 85 1HB TYR 85 -0.912 4.117 15.460 702 HD1 TYR 85 1HD TYR 85 -4.188 5.888 15.187 703 HD2 TYR 85 2HD TYR 85 -2.054 2.521 16.664 704 HE1 TYR 85 1HE TYR 85 -6.295 4.929 16.023 705 HE2 TYR 85 2HE TYR 85 -4.152 1.550 17.505 706 HH TYR 85 HH TYR 85 -6.669 2.924 18.191 707 H GLY 86 H GLY 86 0.244 8.137 15.608 708 1HA GLY 86 2HA GLY 86 2.499 8.555 15.578 709 2HA GLY 86 1HA GLY 86 2.606 7.392 16.890 710 H ARG 87 H ARG 87 1.283 6.238 13.933 711 HA ARG 87 HA ARG 87 3.481 4.414 13.608 712 1HB ARG 87 2HB ARG 87 1.200 4.792 11.677 713 2HB ARG 87 1HB ARG 87 2.161 3.346 11.954 714 1HG ARG 87 2HG ARG 87 1.017 2.781 13.856 715 2HG ARG 87 1HG ARG 87 0.544 4.444 14.199 716 1HD ARG 87 2HD ARG 87 -1.158 4.412 12.591 717 2HD ARG 87 1HD ARG 87 -0.500 2.985 11.796 718 HE ARG 87 HE ARG 87 -1.139 2.140 14.315 719 1HH1 ARG 87 1HH1 ARG 87 -2.888 3.669 11.710 720 2HH1 ARG 87 2HH1 ARG 87 -4.401 2.939 12.131 721 1HH2 ARG 87 1HH2 ARG 87 -3.128 1.180 14.870 722 2HH2 ARG 87 2HH2 ARG 87 -4.538 1.526 13.926 723 H GLY 88 H GLY 88 3.966 4.040 11.051 724 1HA GLY 88 2HA GLY 88 5.132 6.604 10.184 725 2HA GLY 88 1HA GLY 88 5.776 5.016 9.791 726 H LEU 89 H LEU 89 2.822 6.959 9.343 727 HA LEU 89 HA LEU 89 1.735 5.557 7.217 728 1HB LEU 89 2HB LEU 89 1.547 8.355 8.193 729 2HB LEU 89 1HB LEU 89 0.946 8.030 6.579 730 HG LEU 89 HG LEU 89 -0.003 6.740 9.136 731 1HD1 LEU 89 1HD1 LEU 89 -0.935 8.982 7.464 732 2HD1 LEU 89 2HD1 LEU 89 -1.149 8.682 9.189 733 3HD1 LEU 89 3HD1 LEU 89 -2.173 7.853 8.016 734 1HD2 LEU 89 1HD2 LEU 89 -1.768 5.791 7.559 735 2HD2 LEU 89 2HD2 LEU 89 -0.170 5.048 7.520 736 3HD2 LEU 89 3HD2 LEU 89 -0.646 6.182 6.257 737 H ALA 90 H ALA 90 2.422 5.159 5.230 738 HA ALA 90 HA ALA 90 3.403 7.008 3.411 739 1HB ALA 90 1HB ALA 90 5.562 5.597 4.953 740 2HB ALA 90 2HB ALA 90 5.391 7.321 4.622 741 3HB ALA 90 3HB ALA 90 5.825 6.212 3.321 742 H TYR 91 H TYR 91 4.418 5.945 1.467 743 HA TYR 91 HA TYR 91 2.978 3.505 0.913 744 1HB TYR 91 2HB TYR 91 4.821 5.135 -0.848 745 2HB TYR 91 1HB TYR 91 3.798 3.808 -1.389 746 HD1 TYR 91 1HD TYR 91 3.780 7.251 -0.052 747 HD2 TYR 91 2HD TYR 91 1.481 4.141 -1.825 748 HE1 TYR 91 1HE TYR 91 1.942 8.838 -0.438 749 HE2 TYR 91 2HE TYR 91 -0.363 5.719 -2.218 750 HH TYR 91 HH TYR 91 -1.191 7.823 -1.404 751 H ILE 92 H ILE 92 3.832 1.507 0.462 752 HA ILE 92 HA ILE 92 6.596 1.089 1.345 753 HB ILE 92 HB ILE 92 4.466 -0.997 0.871 754 1HG1 ILE 92 2HG1 ILE 92 3.924 0.714 2.671 755 2HG1 ILE 92 1HG1 ILE 92 3.964 -0.967 3.194 756 1HG2 ILE 92 1HG2 ILE 92 6.282 -2.312 0.953 757 2HG2 ILE 92 2HG2 ILE 92 6.194 -2.028 2.692 758 3HG2 ILE 92 3HG2 ILE 92 7.280 -1.062 1.694 759 1HD1 ILE 92 1HD1 ILE 92 5.309 1.192 4.321 760 2HD1 ILE 92 2HD1 ILE 92 6.551 0.248 3.498 761 3HD1 ILE 92 3HD1 ILE 92 5.516 -0.517 4.704 762 H TYR 93 H TYR 93 8.149 0.318 0.019 763 HA TYR 93 HA TYR 93 7.352 -0.556 -2.673 764 1HB TYR 93 2HB TYR 93 9.532 1.395 -1.934 765 2HB TYR 93 1HB TYR 93 9.463 0.591 -3.498 766 HD1 TYR 93 1HD TYR 93 7.640 1.100 -5.074 767 HD2 TYR 93 2HD TYR 93 8.030 3.186 -1.387 768 HE1 TYR 93 1HE TYR 93 6.120 2.844 -5.907 769 HE2 TYR 93 2HE TYR 93 6.511 4.936 -2.210 770 HH TYR 93 HH TYR 93 5.798 5.832 -4.494 771 H ALA 94 H ALA 94 8.206 -2.435 -3.291 772 HA ALA 94 HA ALA 94 10.455 -3.509 -1.718 773 1HB ALA 94 1HB ALA 94 9.440 -5.730 -2.781 774 2HB ALA 94 2HB ALA 94 7.977 -4.744 -2.770 775 3HB ALA 94 3HB ALA 94 8.847 -5.047 -1.266 776 H ASP 95 H ASP 95 12.299 -3.878 -2.735 777 HA ASP 95 HA ASP 95 13.857 -3.777 -4.413 778 1HB ASP 95 2HB ASP 95 13.113 -6.146 -4.354 779 2HB ASP 95 1HB ASP 95 11.959 -5.786 -5.635 780 H GLY 96 H GLY 96 12.104 -1.636 -4.723 781 1HA GLY 96 2HA GLY 96 11.879 0.017 -6.335 782 2HA GLY 96 1HA GLY 96 12.462 -1.120 -7.539 783 H LYS 97 H LYS 97 9.853 -2.210 -5.592 784 HA LYS 97 HA LYS 97 7.959 -1.576 -7.758 785 1HB LYS 97 2HB LYS 97 8.506 -3.933 -7.863 786 2HB LYS 97 1HB LYS 97 8.190 -4.121 -6.143 787 1HG LYS 97 2HG LYS 97 5.891 -3.944 -6.416 788 2HG LYS 97 1HG LYS 97 6.041 -3.182 -8.000 789 1HD LYS 97 2HD LYS 97 5.605 -5.228 -8.810 790 2HD LYS 97 1HD LYS 97 7.286 -5.580 -8.404 791 1HE LYS 97 2HE LYS 97 4.935 -6.033 -6.569 792 2HE LYS 97 1HE LYS 97 5.692 -7.280 -7.559 793 1HZ LYS 97 1HZ LYS 97 7.086 -7.613 -5.887 794 2HZ LYS 97 2HZ LYS 97 6.489 -6.283 -5.030 795 3HZ LYS 97 3HZ LYS 97 7.740 -6.075 -6.150 796 H MET 98 H MET 98 5.824 -1.108 -7.156 797 HA MET 98 HA MET 98 5.572 -0.095 -4.448 798 1HB MET 98 2HB MET 98 4.822 1.056 -6.677 799 2HB MET 98 1HB MET 98 3.387 0.059 -6.488 800 1HG MET 98 2HG MET 98 2.782 1.108 -4.485 801 2HG MET 98 1HG MET 98 4.375 1.837 -4.289 802 1HE MET 98 1HE MET 98 1.026 1.822 -5.484 803 2HE MET 98 2HE MET 98 0.780 3.172 -6.592 804 3HE MET 98 3HE MET 98 0.910 3.467 -4.857 805 H VAL 99 H VAL 99 4.687 -1.213 -2.859 806 HA VAL 99 HA VAL 99 3.429 -3.737 -3.302 807 HB VAL 99 HB VAL 99 3.440 -2.174 -0.722 808 1HG1 VAL 99 1HG1 VAL 99 3.712 -4.762 -0.038 809 2HG1 VAL 99 2HG1 VAL 99 2.771 -4.931 -1.520 810 3HG1 VAL 99 3HG1 VAL 99 2.154 -3.951 -0.191 811 1HG2 VAL 99 1HG2 VAL 99 5.496 -3.890 -0.434 812 2HG2 VAL 99 2HG2 VAL 99 5.685 -2.219 -0.964 813 3HG2 VAL 99 3HG2 VAL 99 5.638 -3.520 -2.154 814 H ASN 100 H ASN 100 2.312 -0.489 -2.595 815 HA ASN 100 HA ASN 100 -0.321 -1.057 -1.856 816 1HB ASN 100 2HB ASN 100 0.713 1.161 -1.598 817 2HB ASN 100 1HB ASN 100 0.729 1.358 -3.347 818 1HD2 ASN 100 1HD2 ASN 100 -0.456 3.332 -2.394 819 2HD2 ASN 100 2HD2 ASN 100 -2.179 3.213 -2.365 820 H GLU 101 H GLU 101 1.010 -0.296 -5.071 821 HA GLU 101 HA GLU 101 -1.472 -0.656 -6.409 822 1HB GLU 101 2HB GLU 101 -0.289 -0.300 -8.418 823 2HB GLU 101 1HB GLU 101 0.528 0.693 -7.220 824 1HG GLU 101 2HG GLU 101 2.303 -0.249 -8.306 825 2HG GLU 101 1HG GLU 101 2.085 -1.380 -6.972 826 H ALA 102 H ALA 102 1.298 -2.748 -5.779 827 HA ALA 102 HA ALA 102 0.624 -4.876 -7.456 828 1HB ALA 102 1HB ALA 102 2.718 -4.407 -5.910 829 2HB ALA 102 2HB ALA 102 2.292 -6.040 -6.422 830 3HB ALA 102 3HB ALA 102 1.842 -5.474 -4.813 831 H LEU 103 H LEU 103 -0.294 -4.253 -4.083 832 HA LEU 103 HA LEU 103 -1.793 -6.641 -3.769 833 1HB LEU 103 2HB LEU 103 -1.677 -4.042 -2.272 834 2HB LEU 103 1HB LEU 103 -2.847 -5.276 -1.845 835 HG LEU 103 HG LEU 103 0.042 -6.019 -2.012 836 1HD1 LEU 103 1HD1 LEU 103 -0.377 -3.863 -0.617 837 2HD1 LEU 103 2HD1 LEU 103 0.595 -5.171 0.058 838 3HD1 LEU 103 3HD1 LEU 103 -1.089 -4.980 0.548 839 1HD2 LEU 103 1HD2 LEU 103 -2.331 -6.936 -0.399 840 2HD2 LEU 103 2HD2 LEU 103 -0.685 -7.513 -0.140 841 3HD2 LEU 103 3HD2 LEU 103 -1.493 -7.813 -1.678 842 H VAL 104 H VAL 104 -2.816 -3.267 -4.299 843 HA VAL 104 HA VAL 104 -5.560 -3.816 -4.517 844 HB VAL 104 HB VAL 104 -4.076 -1.544 -5.836 845 1HG1 VAL 104 1HG1 VAL 104 -6.897 -2.239 -5.528 846 2HG1 VAL 104 2HG1 VAL 104 -6.119 -1.121 -6.648 847 3HG1 VAL 104 3HG1 VAL 104 -6.507 -0.599 -5.009 848 1HG2 VAL 104 1HG2 VAL 104 -3.838 -0.497 -3.865 849 2HG2 VAL 104 2HG2 VAL 104 -4.015 -2.107 -3.167 850 3HG2 VAL 104 3HG2 VAL 104 -5.412 -1.036 -3.277 851 H ARG 105 H ARG 105 -3.064 -3.453 -7.027 852 HA ARG 105 HA ARG 105 -4.732 -3.783 -9.248 853 1HB ARG 105 2HB ARG 105 -2.393 -2.993 -9.374 854 2HB ARG 105 1HB ARG 105 -1.837 -4.611 -8.971 855 1HG ARG 105 2HG ARG 105 -2.729 -5.487 -11.021 856 2HG ARG 105 1HG ARG 105 -3.468 -3.932 -11.408 857 1HD ARG 105 2HD ARG 105 -1.591 -3.625 -12.612 858 2HD ARG 105 1HD ARG 105 -0.899 -3.181 -11.053 859 HE ARG 105 HE ARG 105 -0.708 -5.982 -11.539 860 1HH1 ARG 105 1HH1 ARG 105 0.750 -2.909 -12.317 861 2HH1 ARG 105 2HH1 ARG 105 2.309 -3.590 -12.645 862 1HH2 ARG 105 1HH2 ARG 105 1.340 -6.880 -11.968 863 2HH2 ARG 105 2HH2 ARG 105 2.644 -5.844 -12.446 864 H GLN 106 H GLN 106 -3.299 -6.109 -7.071 865 HA GLN 106 HA GLN 106 -4.066 -8.367 -8.725 866 1HB GLN 106 2HB GLN 106 -2.550 -8.005 -6.180 867 2HB GLN 106 1HB GLN 106 -3.287 -9.571 -6.494 868 1HG GLN 106 2HG GLN 106 -0.962 -9.503 -7.214 869 2HG GLN 106 1HG GLN 106 -2.056 -9.765 -8.571 870 1HE2 GLN 106 1HE2 GLN 106 0.637 -8.194 -7.678 871 2HE2 GLN 106 2HE2 GLN 106 0.575 -6.839 -8.748 872 H GLY 107 H GLY 107 -5.288 -6.555 -6.029 873 1HA GLY 107 2HA GLY 107 -7.612 -6.607 -5.481 874 2HA GLY 107 1HA GLY 107 -7.667 -8.279 -6.019 875 H LEU 108 H LEU 108 -5.363 -6.740 -3.813 876 HA LEU 108 HA LEU 108 -6.352 -8.527 -1.688 877 1HB LEU 108 2HB LEU 108 -3.520 -7.772 -2.388 878 2HB LEU 108 1HB LEU 108 -3.957 -8.493 -0.851 879 HG LEU 108 HG LEU 108 -4.883 -10.451 -2.105 880 1HD1 LEU 108 1HD1 LEU 108 -5.328 -9.956 -4.261 881 2HD1 LEU 108 2HD1 LEU 108 -3.661 -10.484 -4.494 882 3HD1 LEU 108 3HD1 LEU 108 -4.031 -8.765 -4.370 883 1HD2 LEU 108 1HD2 LEU 108 -2.568 -10.313 -1.111 884 2HD2 LEU 108 2HD2 LEU 108 -1.986 -9.954 -2.737 885 3HD2 LEU 108 3HD2 LEU 108 -2.782 -11.492 -2.406 886 H ALA 109 H ALA 109 -5.353 -5.330 -2.580 887 HA ALA 109 HA ALA 109 -6.010 -4.419 0.138 888 1HB ALA 109 1HB ALA 109 -4.299 -2.656 -0.079 889 2HB ALA 109 2HB ALA 109 -3.780 -3.377 -1.602 890 3HB ALA 109 3HB ALA 109 -3.608 -4.279 -0.096 891 H LYS 110 H LYS 110 -7.386 -2.725 0.267 892 HA LYS 110 HA LYS 110 -8.388 -1.645 -2.268 893 1HB LYS 110 2HB LYS 110 -10.389 -1.016 -1.039 894 2HB LYS 110 1HB LYS 110 -10.031 -2.717 -0.775 895 1HG LYS 110 2HG LYS 110 -10.379 -2.217 1.376 896 2HG LYS 110 1HG LYS 110 -8.730 -1.593 1.315 897 1HD LYS 110 2HD LYS 110 -9.445 0.474 1.728 898 2HD LYS 110 1HD LYS 110 -10.561 0.402 0.363 899 1HE LYS 110 2HE LYS 110 -12.044 0.713 2.074 900 2HE LYS 110 1HE LYS 110 -11.984 -1.049 2.037 901 1HZ LYS 110 1HZ LYS 110 -11.752 -0.455 4.276 902 2HZ LYS 110 2HZ LYS 110 -10.648 0.781 3.939 903 3HZ LYS 110 3HZ LYS 110 -10.182 -0.836 3.775 904 H VAL 111 H VAL 111 -9.306 0.685 -1.978 905 HA VAL 111 HA VAL 111 -7.054 2.332 -1.183 906 HB VAL 111 HB VAL 111 -8.170 2.756 -3.333 907 1HG1 VAL 111 1HG1 VAL 111 -10.514 4.047 -2.119 908 2HG1 VAL 111 2HG1 VAL 111 -10.501 2.285 -2.039 909 3HG1 VAL 111 3HG1 VAL 111 -10.376 3.098 -3.599 910 1HG2 VAL 111 1HG2 VAL 111 -7.868 5.007 -3.238 911 2HG2 VAL 111 2HG2 VAL 111 -7.170 4.580 -1.676 912 3HG2 VAL 111 3HG2 VAL 111 -8.824 5.187 -1.767 913 H ALA 112 H ALA 112 -6.891 3.167 0.783 914 HA ALA 112 HA ALA 112 -9.023 3.120 2.664 915 1HB ALA 112 1HB ALA 112 -6.762 4.880 3.284 916 2HB ALA 112 2HB ALA 112 -6.313 3.228 2.861 917 3HB ALA 112 3HB ALA 112 -7.430 3.524 4.192 918 H TYR 113 H TYR 113 -8.802 5.515 4.034 919 HA TYR 113 HA TYR 113 -9.697 7.540 2.100 920 1HB TYR 113 2HB TYR 113 -11.210 6.329 4.325 921 2HB TYR 113 1HB TYR 113 -11.288 8.086 4.240 922 HD1 TYR 113 1HD TYR 113 -11.392 5.270 1.772 923 HD2 TYR 113 2HD TYR 113 -13.164 8.875 3.173 924 HE1 TYR 113 1HE TYR 113 -13.107 5.102 0.018 925 HE2 TYR 113 2HE TYR 113 -14.884 8.717 1.423 926 HH TYR 113 HH TYR 113 -15.195 7.671 -0.765 927 H VAL 114 H VAL 114 -7.816 8.729 2.290 928 HA VAL 114 HA VAL 114 -7.202 9.796 4.965 929 HB VAL 114 HB VAL 114 -5.397 9.793 2.548 930 1HG1 VAL 114 1HG1 VAL 114 -3.754 10.037 4.644 931 2HG1 VAL 114 2HG1 VAL 114 -5.185 10.825 5.311 932 3HG1 VAL 114 3HG1 VAL 114 -4.465 11.424 3.816 933 1HG2 VAL 114 1HG2 VAL 114 -6.028 7.515 3.549 934 2HG2 VAL 114 2HG2 VAL 114 -5.072 8.018 4.942 935 3HG2 VAL 114 3HG2 VAL 114 -4.316 7.887 3.355 936 H TYR 115 H TYR 115 -8.550 11.548 5.069 937 HA TYR 115 HA TYR 115 -8.496 13.486 2.876 938 1HB TYR 115 2HB TYR 115 -10.399 14.542 4.026 939 2HB TYR 115 1HB TYR 115 -10.703 12.838 3.704 940 HD1 TYR 115 2HD TYR 115 -10.808 11.225 5.527 941 HD2 TYR 115 1HD TYR 115 -10.115 15.352 6.294 942 HE1 TYR 115 2HE TYR 115 -11.323 10.863 7.903 943 HE2 TYR 115 1HE TYR 115 -10.627 15.001 8.673 944 HH TYR 115 HH TYR 115 -12.238 12.587 9.873 945 H LYS 116 H LYS 116 -6.207 13.120 4.636 946 HA LYS 116 HA LYS 116 -6.199 15.614 6.178 947 1HB LYS 116 2HB LYS 116 -4.145 13.397 6.134 948 2HB LYS 116 1HB LYS 116 -4.177 14.767 7.235 949 1HG LYS 116 2HG LYS 116 -6.601 13.095 7.194 950 2HG LYS 116 1HG LYS 116 -5.143 12.339 7.841 951 1HD LYS 116 2HD LYS 116 -5.101 13.676 9.665 952 2HD LYS 116 1HD LYS 116 -5.697 15.081 8.778 953 1HE LYS 116 2HE LYS 116 -7.502 14.644 10.120 954 2HE LYS 116 1HE LYS 116 -7.920 13.685 8.700 955 1HZ LYS 116 1HZ LYS 116 -6.334 12.341 10.733 956 2HZ LYS 116 2HZ LYS 116 -7.624 11.760 9.805 957 3HZ LYS 116 3HZ LYS 116 -7.926 12.716 11.168 958 H GLY 117 H GLY 117 -4.794 14.074 3.388 959 1HA GLY 117 2HA GLY 117 -4.092 16.269 1.979 960 2HA GLY 117 1HA GLY 117 -2.723 16.065 3.061 961 H ASN 118 H ASN 118 -3.103 13.096 3.002 962 HA ASN 118 HA ASN 118 -1.309 12.543 0.886 963 1HB ASN 118 2HB ASN 118 -1.523 11.247 3.041 964 2HB ASN 118 1HB ASN 118 -2.988 10.528 2.381 965 1HD2 ASN 118 1HD2 ASN 118 -2.792 8.746 1.220 966 2HD2 ASN 118 2HD2 ASN 118 -1.317 8.126 0.567 967 H ASN 119 H ASN 119 -2.449 13.408 -0.935 968 HA ASN 119 HA ASN 119 -4.307 11.452 -2.089 969 1HB ASN 119 2HB ASN 119 -5.553 13.414 -3.122 970 2HB ASN 119 1HB ASN 119 -5.789 13.172 -1.393 971 1HD2 ASN 119 1HD2 ASN 119 -4.133 15.094 -3.809 972 2HD2 ASN 119 2HD2 ASN 119 -3.860 16.471 -2.800 973 H THR 120 H THR 120 -1.525 11.699 -2.530 974 HA THR 120 HA THR 120 -1.263 13.025 -5.117 975 HB THR 120 HB THR 120 0.891 11.512 -3.649 976 HG1 THR 120 1HG THR 120 1.038 13.074 -2.274 977 1HG2 THR 120 1HG2 THR 120 1.488 13.979 -5.124 978 2HG2 THR 120 2HG2 THR 120 1.000 12.599 -6.107 979 3HG2 THR 120 3HG2 THR 120 2.383 12.464 -5.022 980 H HIS 121 H HIS 121 -0.757 9.798 -3.702 981 HA HIS 121 HA HIS 121 -0.486 8.608 -6.327 982 1HB HIS 121 2HB HIS 121 -0.581 7.316 -3.594 983 2HB HIS 121 1HB HIS 121 -0.167 6.501 -5.098 984 HD1 HIS 121 1HD HIS 121 1.115 9.441 -3.047 985 HD2 HIS 121 2HD HIS 121 2.495 6.438 -5.565 986 HE1 HIS 121 1HE HIS 121 3.620 9.663 -3.047 987 HE2 HIS 121 2HE HIS 121 4.437 7.774 -4.501 988 H GLU 122 H GLU 122 -3.075 9.511 -4.423 989 HA GLU 122 HA GLU 122 -4.889 7.456 -4.464 990 1HB GLU 122 2HB GLU 122 -5.018 10.058 -3.777 991 2HB GLU 122 1HB GLU 122 -5.954 10.102 -5.265 992 1HG GLU 122 2HG GLU 122 -6.595 7.992 -3.282 993 2HG GLU 122 1HG GLU 122 -7.068 9.650 -2.916 994 H GLN 123 H GLN 123 -3.704 9.305 -7.157 995 HA GLN 123 HA GLN 123 -5.769 8.742 -8.999 996 1HB GLN 123 2HB GLN 123 -4.109 9.337 -10.728 997 2HB GLN 123 1HB GLN 123 -4.166 10.514 -9.423 998 1HG GLN 123 2HG GLN 123 -2.198 9.136 -8.443 999 2HG GLN 123 1HG GLN 123 -2.037 8.535 -10.093 1000 1HE2 GLN 123 1HE2 GLN 123 -1.569 10.025 -11.765 1001 2HE2 GLN 123 2HE2 GLN 123 -0.804 11.536 -11.419 1002 H LEU 124 H LEU 124 -2.653 7.142 -8.386 1003 HA LEU 124 HA LEU 124 -3.051 5.091 -10.310 1004 1HB LEU 124 2HB LEU 124 -1.301 4.818 -7.884 1005 2HB LEU 124 1HB LEU 124 -1.083 4.108 -9.472 1006 HG LEU 124 HG LEU 124 -0.735 7.021 -8.759 1007 1HD1 LEU 124 1HD1 LEU 124 1.193 6.074 -7.990 1008 2HD1 LEU 124 2HD1 LEU 124 1.632 6.322 -9.680 1009 3HD1 LEU 124 3HD1 LEU 124 1.118 4.727 -9.127 1010 1HD2 LEU 124 1HD2 LEU 124 0.120 5.939 -11.377 1011 2HD2 LEU 124 2HD2 LEU 124 -0.483 7.541 -10.952 1012 3HD2 LEU 124 3HD2 LEU 124 -1.608 6.197 -11.143 1013 H LEU 125 H LEU 125 -3.820 5.446 -6.914 1014 HA LEU 125 HA LEU 125 -4.391 2.775 -6.295 1015 1HB LEU 125 2HB LEU 125 -5.266 5.412 -5.195 1016 2HB LEU 125 1HB LEU 125 -6.054 3.950 -4.637 1017 HG LEU 125 HG LEU 125 -3.769 3.074 -4.016 1018 1HD1 LEU 125 1HD1 LEU 125 -1.920 4.523 -3.894 1019 2HD1 LEU 125 2HD1 LEU 125 -2.907 5.942 -4.247 1020 3HD1 LEU 125 3HD1 LEU 125 -2.591 4.752 -5.509 1021 1HD2 LEU 125 1HD2 LEU 125 -5.242 3.871 -2.309 1022 2HD2 LEU 125 2HD2 LEU 125 -4.849 5.550 -2.683 1023 3HD2 LEU 125 3HD2 LEU 125 -3.627 4.494 -1.973 1024 H ARG 126 H ARG 126 -6.580 5.378 -7.355 1025 HA ARG 126 HA ARG 126 -8.912 3.834 -7.462 1026 1HB ARG 126 2HB ARG 126 -8.607 6.395 -7.644 1027 2HB ARG 126 1HB ARG 126 -8.371 6.102 -9.362 1028 1HG ARG 126 2HG ARG 126 -10.593 6.433 -9.435 1029 2HG ARG 126 1HG ARG 126 -10.645 4.729 -8.978 1030 1HD ARG 126 2HD ARG 126 -10.605 5.584 -6.559 1031 2HD ARG 126 1HD ARG 126 -11.018 7.154 -7.249 1032 HE ARG 126 HE ARG 126 -12.744 4.873 -6.965 1033 1HH1 ARG 126 1HH1 ARG 126 -12.169 7.818 -8.748 1034 2HH1 ARG 126 2HH1 ARG 126 -13.823 8.004 -9.220 1035 1HH2 ARG 126 1HH2 ARG 126 -14.921 5.117 -7.585 1036 2HH2 ARG 126 2HH2 ARG 126 -15.387 6.471 -8.560 1037 H LYS 127 H LYS 127 -6.429 4.459 -9.901 1038 HA LYS 127 HA LYS 127 -7.711 3.193 -12.059 1039 1HB LYS 127 2HB LYS 127 -5.066 4.250 -11.466 1040 2HB LYS 127 1HB LYS 127 -4.985 2.809 -12.470 1041 1HG LYS 127 2HG LYS 127 -5.051 4.829 -13.820 1042 2HG LYS 127 1HG LYS 127 -6.483 3.835 -14.090 1043 1HD LYS 127 2HD LYS 127 -7.759 5.271 -12.566 1044 2HD LYS 127 1HD LYS 127 -6.326 6.267 -12.309 1045 1HE LYS 127 2HE LYS 127 -7.760 5.845 -14.929 1046 2HE LYS 127 1HE LYS 127 -7.821 7.298 -13.932 1047 1HZ LYS 127 1HZ LYS 127 -5.400 6.198 -15.258 1048 2HZ LYS 127 2HZ LYS 127 -5.437 7.576 -14.278 1049 3HZ LYS 127 3HZ LYS 127 -6.268 7.564 -15.750 1050 H SER 128 H SER 128 -5.468 1.961 -9.608 1051 HA SER 128 HA SER 128 -5.411 -0.688 -10.694 1052 1HB SER 128 2HB SER 128 -4.296 -1.247 -8.500 1053 2HB SER 128 1HB SER 128 -3.506 0.032 -9.423 1054 HG SER 128 HG SER 128 -4.126 0.234 -6.984 1055 H GLU 129 H GLU 129 -7.195 0.950 -8.138 1056 HA GLU 129 HA GLU 129 -8.435 -1.390 -7.099 1057 1HB GLU 129 2HB GLU 129 -8.219 0.690 -5.800 1058 2HB GLU 129 1HB GLU 129 -9.308 1.500 -6.918 1059 1HG GLU 129 2HG GLU 129 -10.490 -0.916 -5.877 1060 2HG GLU 129 1HG GLU 129 -9.984 0.165 -4.579 1061 H ALA 130 H ALA 130 -9.424 1.081 -9.436 1062 HA ALA 130 HA ALA 130 -12.046 0.178 -9.852 1063 1HB ALA 130 1HB ALA 130 -11.167 2.370 -10.599 1064 2HB ALA 130 2HB ALA 130 -12.022 1.496 -11.869 1065 3HB ALA 130 3HB ALA 130 -10.259 1.540 -11.863 1066 H GLN 131 H GLN 131 -9.019 -0.635 -11.517 1067 HA GLN 131 HA GLN 131 -10.122 -2.307 -13.479 1068 1HB GLN 131 2HB GLN 131 -7.442 -1.808 -12.355 1069 2HB GLN 131 1HB GLN 131 -7.658 -3.397 -13.075 1070 1HG GLN 131 2HG GLN 131 -8.776 -1.496 -14.846 1071 2HG GLN 131 1HG GLN 131 -7.190 -0.907 -14.353 1072 1HE2 GLN 131 1HE2 GLN 131 -8.473 -2.275 -16.822 1073 2HE2 GLN 131 2HE2 GLN 131 -7.290 -3.453 -17.264 1074 H ALA 132 H ALA 132 -8.921 -3.018 -10.224 1075 HA ALA 132 HA ALA 132 -9.334 -5.828 -10.403 1076 1HB ALA 132 1HB ALA 132 -7.747 -5.006 -8.818 1077 2HB ALA 132 2HB ALA 132 -9.062 -5.759 -7.919 1078 3HB ALA 132 3HB ALA 132 -8.966 -4.002 -8.034 1079 H LYS 133 H LYS 133 -11.337 -3.117 -9.501 1080 HA LYS 133 HA LYS 133 -13.371 -4.656 -8.214 1081 1HB LYS 133 2HB LYS 133 -12.770 -2.016 -8.258 1082 2HB LYS 133 1HB LYS 133 -14.105 -2.051 -9.400 1083 1HG LYS 133 2HG LYS 133 -14.253 -3.218 -6.633 1084 2HG LYS 133 1HG LYS 133 -14.746 -1.572 -7.037 1085 1HD LYS 133 2HD LYS 133 -16.763 -2.456 -7.437 1086 2HD LYS 133 1HD LYS 133 -16.052 -3.071 -8.930 1087 1HE LYS 133 2HE LYS 133 -15.644 -5.190 -7.980 1088 2HE LYS 133 1HE LYS 133 -15.919 -4.596 -6.343 1089 1HZ LYS 133 1HZ LYS 133 -18.271 -4.063 -7.415 1090 2HZ LYS 133 2HZ LYS 133 -17.918 -5.554 -6.701 1091 3HZ LYS 133 3HZ LYS 133 -17.845 -5.385 -8.382 1092 H LYS 134 H LYS 134 -13.142 -3.084 -11.401 1093 HA LYS 134 HA LYS 134 -15.622 -3.924 -12.382 1094 1HB LYS 134 2HB LYS 134 -14.681 -3.483 -14.618 1095 2HB LYS 134 1HB LYS 134 -14.328 -2.188 -13.483 1096 1HG LYS 134 2HG LYS 134 -12.077 -3.261 -13.133 1097 2HG LYS 134 1HG LYS 134 -12.461 -4.310 -14.500 1098 1HD LYS 134 2HD LYS 134 -11.186 -2.495 -15.355 1099 2HD LYS 134 1HD LYS 134 -12.858 -2.228 -15.852 1100 1HE LYS 134 2HE LYS 134 -12.784 -0.929 -13.460 1101 2HE LYS 134 1HE LYS 134 -11.145 -0.664 -14.055 1102 1HZ LYS 134 1HZ LYS 134 -13.142 0.916 -14.693 1103 2HZ LYS 134 2HZ LYS 134 -13.340 -0.221 -15.929 1104 3HZ LYS 134 3HZ LYS 134 -11.873 0.604 -15.769 1105 H GLU 135 H GLU 135 -12.454 -5.488 -12.483 1106 HA GLU 135 HA GLU 135 -13.488 -7.745 -13.973 1107 1HB GLU 135 2HB GLU 135 -10.775 -7.264 -12.731 1108 2HB GLU 135 1HB GLU 135 -11.188 -8.632 -13.756 1109 1HG GLU 135 2HG GLU 135 -11.879 -6.166 -15.055 1110 2HG GLU 135 1HG GLU 135 -10.193 -6.146 -14.543 1111 H LYS 136 H LYS 136 -13.052 -6.865 -10.670 1112 HA LYS 136 HA LYS 136 -13.466 -7.949 -8.714 1113 1HB LYS 136 2HB LYS 136 -14.800 -10.090 -10.372 1114 2HB LYS 136 1HB LYS 136 -15.116 -9.681 -8.692 1115 1HG LYS 136 2HG LYS 136 -15.511 -7.411 -10.443 1116 2HG LYS 136 1HG LYS 136 -16.509 -8.789 -10.907 1117 1HD LYS 136 2HD LYS 136 -16.760 -8.728 -8.163 1118 2HD LYS 136 1HD LYS 136 -16.717 -7.018 -8.600 1119 1HE LYS 136 2HE LYS 136 -18.429 -7.756 -10.437 1120 2HE LYS 136 1HE LYS 136 -18.690 -9.127 -9.357 1121 1HZ LYS 136 1HZ LYS 136 -18.810 -7.068 -7.651 1122 2HZ LYS 136 2HZ LYS 136 -20.161 -7.754 -8.403 1123 3HZ LYS 136 3HZ LYS 136 -19.458 -6.356 -9.042 1124 H LEU 137 H LEU 137 -11.030 -8.268 -9.020 1125 HA LEU 137 HA LEU 137 -10.002 -10.793 -9.741 1126 1HB LEU 137 2HB LEU 137 -8.973 -8.397 -8.322 1127 2HB LEU 137 1HB LEU 137 -8.089 -9.896 -8.107 1128 HG LEU 137 HG LEU 137 -8.748 -8.890 -10.856 1129 1HD1 LEU 137 1HD1 LEU 137 -6.207 -8.230 -9.395 1130 2HD1 LEU 137 2HD1 LEU 137 -7.577 -7.121 -9.476 1131 3HD1 LEU 137 3HD1 LEU 137 -6.763 -7.627 -10.957 1132 1HD2 LEU 137 1HD2 LEU 137 -7.009 -10.949 -9.637 1133 2HD2 LEU 137 2HD2 LEU 137 -6.370 -10.090 -11.039 1134 3HD2 LEU 137 3HD2 LEU 137 -7.896 -10.967 -11.161 1135 H ASN 138 H ASN 138 -9.857 -9.439 -6.451 1136 HA ASN 138 HA ASN 138 -10.801 -12.014 -5.407 1137 1HB ASN 138 2HB ASN 138 -8.206 -10.642 -4.805 1138 2HB ASN 138 1HB ASN 138 -8.986 -11.612 -3.558 1139 1HD2 ASN 138 1HD2 ASN 138 -6.484 -12.194 -4.647 1140 2HD2 ASN 138 2HD2 ASN 138 -6.595 -13.686 -5.511 1141 H ILE 139 H ILE 139 -9.469 -9.102 -3.862 1142 HA ILE 139 HA ILE 139 -11.259 -8.991 -1.761 1143 HB ILE 139 HB ILE 139 -10.676 -6.582 -1.571 1144 1HG1 ILE 139 2HG1 ILE 139 -9.191 -7.120 -4.153 1145 2HG1 ILE 139 1HG1 ILE 139 -10.548 -6.021 -3.938 1146 1HG2 ILE 139 1HG2 ILE 139 -8.796 -8.821 -1.668 1147 2HG2 ILE 139 2HG2 ILE 139 -9.078 -7.627 -0.401 1148 3HG2 ILE 139 3HG2 ILE 139 -8.032 -7.235 -1.765 1149 1HD1 ILE 139 1HD1 ILE 139 -7.704 -5.652 -3.341 1150 2HD1 ILE 139 2HD1 ILE 139 -8.814 -5.040 -2.114 1151 3HD1 ILE 139 3HD1 ILE 139 -8.940 -4.473 -3.778 1152 H TRP 140 H TRP 140 -11.588 -7.702 -5.018 1153 HA TRP 140 HA TRP 140 -14.189 -6.546 -4.327 1154 1HB TRP 140 2HB TRP 140 -12.672 -6.347 -6.935 1155 2HB TRP 140 1HB TRP 140 -14.090 -5.415 -6.467 1156 HD1 TRP 140 HD TRP 140 -10.730 -4.682 -7.006 1157 HE1 TRP 140 1HE TRP 140 -9.785 -2.889 -5.420 1158 HE3 TRP 140 3HE TRP 140 -14.319 -4.840 -3.365 1159 HZ2 TRP 140 2HZ TRP 140 -10.469 -1.698 -2.955 1160 HZ3 TRP 140 3HZ TRP 140 -14.098 -3.341 -1.427 1161 HH2 TRP 140 HH TRP 140 -12.212 -1.803 -1.227 1162 H SER 141 H SER 141 -13.804 -9.419 -4.442 1163 HA SER 141 HA SER 141 -15.470 -10.093 -6.776 1164 1HB SER 141 2HB SER 141 -13.106 -11.218 -6.177 1165 2HB SER 141 1HB SER 141 -14.156 -12.253 -5.211 1166 HG SER 141 HG SER 141 -13.908 -13.081 -7.311 1167 H GLU 142 H GLU 142 -16.423 -8.963 -4.253 1168 HA GLU 142 HA GLU 142 -18.635 -10.675 -3.828 1169 1HB GLU 142 2HB GLU 142 -18.136 -11.019 -1.335 1170 2HB GLU 142 1HB GLU 142 -17.312 -12.064 -2.484 1171 1HG GLU 142 2HG GLU 142 -15.310 -10.685 -2.314 1172 2HG GLU 142 1HG GLU 142 -16.136 -9.622 -1.176 1173 H ASP 143 H ASP 143 -18.116 -7.933 -4.449 1174 HA ASP 143 HA ASP 143 -19.208 -6.574 -2.076 1175 1HB ASP 143 2HB ASP 143 -17.009 -5.754 -3.053 1176 2HB ASP 143 1HB ASP 143 -17.930 -5.236 -4.462 1177 H ASN 144 H ASN 144 -21.377 -6.904 -2.332 1178 HA ASN 144 HA ASN 144 -22.582 -5.925 -4.837 1179 1HB ASN 144 2HB ASN 144 -22.927 -8.371 -4.173 1180 2HB ASN 144 1HB ASN 144 -23.929 -7.762 -2.859 1181 1HD2 ASN 144 1HD2 ASN 144 -25.664 -8.931 -3.820 1182 2HD2 ASN 144 2HD2 ASN 144 -26.521 -8.272 -5.168 1183 H ALA 145 H ALA 145 -22.825 -5.923 -1.316 1184 HA ALA 145 HA ALA 145 -23.811 -4.491 0.151 1185 1HB ALA 145 1HB ALA 145 -22.541 -2.733 -0.722 1186 2HB ALA 145 2HB ALA 145 -24.195 -2.119 -0.742 1187 3HB ALA 145 3HB ALA 145 -23.453 -2.704 -2.231 1188 H ASP 146 H ASP 146 -25.806 -2.868 0.307 1189 HA ASP 146 HA ASP 146 -28.080 -4.421 -0.566 1190 1HB ASP 146 2HB ASP 146 -27.606 -2.209 1.363 1191 2HB ASP 146 1HB ASP 146 -29.226 -2.344 0.685 1192 H SER 147 H SER 147 -28.497 -4.161 -2.698 1193 HA SER 147 HA SER 147 -28.330 -1.609 -4.000 1194 1HB SER 147 2HB SER 147 -29.660 -3.100 -5.797 1195 2HB SER 147 1HB SER 147 -27.916 -3.217 -5.569 1196 HG SER 147 HG SER 147 -29.378 -5.213 -5.494 1197 H GLY 148 H GLY 148 -31.080 -3.853 -3.586 1198 1HA GLY 148 2HA GLY 148 -32.850 -1.488 -3.561 1199 2HA GLY 148 1HA GLY 148 -33.325 -3.078 -4.139 1200 H GLN 149 H GLN 149 -35.140 -2.512 -2.601 1201 HA GLN 149 HA GLN 149 -36.270 -2.935 -0.674 1202 1HB GLN 149 2HB GLN 149 -35.028 -5.166 -1.083 1203 2HB GLN 149 1HB GLN 149 -33.972 -4.652 0.226 1204 1HG GLN 149 2HG GLN 149 -35.752 -6.148 0.990 1205 2HG GLN 149 1HG GLN 149 -35.838 -4.559 1.750 1206 1HE2 GLN 149 1HE2 GLN 149 -36.928 -5.724 -1.413 1207 2HE2 GLN 149 2HE2 GLN 149 -38.585 -5.283 -1.199 Start of MODEL 12 1 1H ALA 1 1HT ALA 1 5.381 13.604 -6.338 2 2H ALA 1 2HT ALA 1 4.524 14.717 -5.352 3 3H ALA 1 3HT ALA 1 6.215 14.509 -5.145 4 HA ALA 1 HA ALA 1 6.357 15.198 -7.567 5 1HB ALA 1 1HB ALA 1 4.043 15.164 -8.127 6 2HB ALA 1 2HB ALA 1 4.556 16.851 -8.119 7 3HB ALA 1 3HB ALA 1 3.635 16.203 -6.762 8 H THR 2 H THR 2 7.991 16.536 -7.222 9 HA THR 2 HA THR 2 7.563 18.872 -5.495 10 HB THR 2 HB THR 2 10.145 18.443 -4.963 11 HG1 THR 2 1HG THR 2 10.441 16.189 -4.647 12 1HG2 THR 2 1HG2 THR 2 9.392 17.043 -2.956 13 2HG2 THR 2 2HG2 THR 2 7.760 17.295 -3.575 14 3HG2 THR 2 3HG2 THR 2 8.755 18.679 -3.123 15 H SER 3 H SER 3 9.787 20.252 -5.737 16 HA SER 3 HA SER 3 10.293 20.472 -8.631 17 1HB SER 3 2HB SER 3 9.785 22.662 -6.613 18 2HB SER 3 1HB SER 3 10.517 22.970 -8.188 19 HG SER 3 HG SER 3 8.583 21.864 -9.049 20 H THR 4 H THR 4 11.575 21.984 -5.668 21 HA THR 4 HA THR 4 14.235 22.043 -6.648 22 HB THR 4 HB THR 4 13.674 22.135 -3.716 23 HG1 THR 4 1HG THR 4 12.056 23.424 -4.177 24 1HG2 THR 4 1HG2 THR 4 15.023 24.365 -4.232 25 2HG2 THR 4 2HG2 THR 4 15.565 23.394 -5.601 26 3HG2 THR 4 3HG2 THR 4 15.812 22.812 -3.955 27 H LYS 5 H LYS 5 12.971 20.253 -3.831 28 HA LYS 5 HA LYS 5 15.150 18.342 -4.086 29 1HB LYS 5 2HB LYS 5 12.953 18.423 -2.015 30 2HB LYS 5 1HB LYS 5 14.454 17.510 -1.929 31 1HG LYS 5 2HG LYS 5 14.748 20.419 -2.278 32 2HG LYS 5 1HG LYS 5 14.070 19.887 -0.737 33 1HD LYS 5 2HD LYS 5 16.422 18.381 -1.667 34 2HD LYS 5 1HD LYS 5 16.722 20.070 -1.257 35 1HE LYS 5 2HE LYS 5 15.303 18.120 0.551 36 2HE LYS 5 1HE LYS 5 17.031 18.462 0.636 37 1HZ LYS 5 1HZ LYS 5 16.674 20.537 1.472 38 2HZ LYS 5 2HZ LYS 5 15.325 19.751 2.119 39 3HZ LYS 5 3HZ LYS 5 15.159 20.714 0.739 40 H LYS 6 H LYS 6 14.506 15.977 -3.623 41 HA LYS 6 HA LYS 6 12.239 15.299 -5.377 42 1HB LYS 6 2HB LYS 6 14.878 13.919 -4.919 43 2HB LYS 6 1HB LYS 6 13.517 13.104 -5.678 44 1HG LYS 6 2HG LYS 6 13.674 14.323 -7.597 45 2HG LYS 6 1HG LYS 6 14.359 15.729 -6.780 46 1HD LYS 6 2HD LYS 6 16.197 14.950 -7.920 47 2HD LYS 6 1HD LYS 6 16.388 14.121 -6.374 48 1HE LYS 6 2HE LYS 6 14.795 12.764 -8.478 49 2HE LYS 6 1HE LYS 6 16.541 12.847 -8.705 50 1HZ LYS 6 1HZ LYS 6 15.546 10.856 -7.453 51 2HZ LYS 6 2HZ LYS 6 15.416 11.920 -6.144 52 3HZ LYS 6 3HZ LYS 6 16.931 11.593 -6.821 53 H LEU 7 H LEU 7 10.928 13.513 -4.830 54 HA LEU 7 HA LEU 7 11.136 12.649 -2.021 55 1HB LEU 7 2HB LEU 7 9.209 14.301 -2.894 56 2HB LEU 7 1HB LEU 7 8.459 12.765 -3.288 57 HG LEU 7 HG LEU 7 7.677 13.452 -1.132 58 1HD1 LEU 7 1HD1 LEU 7 9.728 11.406 -0.415 59 2HD1 LEU 7 2HD1 LEU 7 8.482 11.020 -1.602 60 3HD1 LEU 7 3HD1 LEU 7 8.024 11.498 0.033 61 1HD2 LEU 7 1HD2 LEU 7 9.063 14.044 0.689 62 2HD2 LEU 7 2HD2 LEU 7 9.663 14.952 -0.699 63 3HD2 LEU 7 3HD2 LEU 7 10.520 13.512 -0.151 64 H HIS 8 H HIS 8 12.269 10.786 -2.820 65 HA HIS 8 HA HIS 8 10.561 8.866 -4.257 66 1HB HIS 8 2HB HIS 8 12.711 7.662 -4.736 67 2HB HIS 8 1HB HIS 8 12.601 9.265 -5.459 68 HD1 HIS 8 1HD HIS 8 13.973 11.188 -4.181 69 HD2 HIS 8 2HD HIS 8 14.881 7.273 -3.122 70 HE1 HIS 8 1HE HIS 8 16.187 11.308 -2.994 71 HE2 HIS 8 2HE HIS 8 16.758 8.918 -2.442 72 H LYS 9 H LYS 9 10.998 6.534 -3.641 73 HA LYS 9 HA LYS 9 10.427 6.195 -0.886 74 1HB LYS 9 2HB LYS 9 10.436 3.808 -1.362 75 2HB LYS 9 1HB LYS 9 9.576 4.677 -2.627 76 1HG LYS 9 2HG LYS 9 12.317 4.461 -3.373 77 2HG LYS 9 1HG LYS 9 11.729 2.869 -2.889 78 1HD LYS 9 2HD LYS 9 9.939 2.974 -4.472 79 2HD LYS 9 1HD LYS 9 10.289 4.665 -4.836 80 1HE LYS 9 2HE LYS 9 12.517 3.952 -5.688 81 2HE LYS 9 1HE LYS 9 12.022 2.276 -5.453 82 1HZ LYS 9 1HZ LYS 9 10.677 2.330 -7.242 83 2HZ LYS 9 2HZ LYS 9 11.699 3.584 -7.736 84 3HZ LYS 9 3HZ LYS 9 10.215 3.942 -7.007 85 H GLU 10 H GLU 10 11.641 5.101 0.716 86 HA GLU 10 HA GLU 10 14.265 4.189 0.436 87 1HB GLU 10 2HB GLU 10 14.803 6.531 -0.060 88 2HB GLU 10 1HB GLU 10 14.063 7.031 1.454 89 1HG GLU 10 2HG GLU 10 15.873 5.191 2.312 90 2HG GLU 10 1HG GLU 10 16.706 5.898 0.928 91 H ALA 11 H ALA 11 14.761 3.026 2.197 92 HA ALA 11 HA ALA 11 13.777 3.779 4.812 93 1HB ALA 11 1HB ALA 11 12.810 1.284 3.433 94 2HB ALA 11 2HB ALA 11 11.845 2.612 4.074 95 3HB ALA 11 3HB ALA 11 12.705 1.536 5.175 96 H ALA 12 H ALA 12 14.540 0.467 3.904 97 HA ALA 12 HA ALA 12 17.263 0.362 4.143 98 1HB ALA 12 1HB ALA 12 17.819 0.823 6.242 99 2HB ALA 12 2HB ALA 12 16.810 -0.511 6.802 100 3HB ALA 12 3HB ALA 12 16.127 1.106 6.646 101 H THR 13 H THR 13 14.978 -1.377 6.248 102 HA THR 13 HA THR 13 14.740 -3.599 4.458 103 HB THR 13 HB THR 13 16.511 -3.860 6.893 104 HG1 THR 13 1HG THR 13 16.976 -4.481 4.168 105 1HG2 THR 13 1HG2 THR 13 14.987 -5.792 6.749 106 2HG2 THR 13 2HG2 THR 13 16.677 -6.215 6.468 107 3HG2 THR 13 3HG2 THR 13 15.562 -6.087 5.108 108 H LEU 14 H LEU 14 13.164 -5.078 5.127 109 HA LEU 14 HA LEU 14 11.488 -4.088 7.301 110 1HB LEU 14 2HB LEU 14 10.157 -4.366 5.444 111 2HB LEU 14 1HB LEU 14 11.030 -5.781 4.893 112 HG LEU 14 HG LEU 14 9.610 -6.197 7.427 113 1HD1 LEU 14 1HD1 LEU 14 7.629 -5.372 6.900 114 2HD1 LEU 14 2HD1 LEU 14 7.566 -6.473 5.526 115 3HD1 LEU 14 3HD1 LEU 14 8.214 -4.847 5.324 116 1HD2 LEU 14 1HD2 LEU 14 8.874 -8.234 6.206 117 2HD2 LEU 14 2HD2 LEU 14 10.626 -8.033 6.271 118 3HD2 LEU 14 3HD2 LEU 14 9.748 -7.649 4.790 119 H ILE 15 H ILE 15 10.903 -5.273 9.062 120 HA ILE 15 HA ILE 15 12.588 -7.576 9.660 121 HB ILE 15 HB ILE 15 10.669 -6.087 11.461 122 1HG1 ILE 15 2HG1 ILE 15 13.017 -5.391 12.450 123 2HG1 ILE 15 1HG1 ILE 15 13.567 -5.722 10.810 124 1HG2 ILE 15 1HG2 ILE 15 10.901 -7.996 12.645 125 2HG2 ILE 15 2HG2 ILE 15 12.432 -7.259 13.119 126 3HG2 ILE 15 3HG2 ILE 15 12.392 -8.453 11.821 127 1HD1 ILE 15 1HD1 ILE 15 12.672 -3.333 11.653 128 2HD1 ILE 15 2HD1 ILE 15 11.177 -4.027 11.023 129 3HD1 ILE 15 3HD1 ILE 15 12.591 -3.882 9.979 130 H LYS 16 H LYS 16 9.141 -6.691 9.605 131 HA LYS 16 HA LYS 16 8.282 -9.143 8.569 132 1HB LYS 16 2HB LYS 16 9.032 -9.544 11.143 133 2HB LYS 16 1HB LYS 16 7.340 -9.118 11.370 134 1HG LYS 16 2HG LYS 16 7.202 -10.915 9.319 135 2HG LYS 16 1HG LYS 16 8.539 -11.547 10.281 136 1HD LYS 16 2HD LYS 16 6.927 -12.526 11.499 137 2HD LYS 16 1HD LYS 16 6.716 -10.926 12.210 138 1HE LYS 16 2HE LYS 16 4.589 -11.093 11.544 139 2HE LYS 16 1HE LYS 16 5.207 -10.769 9.926 140 1HZ LYS 16 1HZ LYS 16 5.202 -13.035 9.400 141 2HZ LYS 16 2HZ LYS 16 3.736 -12.789 10.207 142 3HZ LYS 16 3HZ LYS 16 5.034 -13.514 11.014 143 H ALA 17 H ALA 17 6.146 -9.075 7.983 144 HA ALA 17 HA ALA 17 4.817 -6.536 8.303 145 1HB ALA 17 1HB ALA 17 3.909 -9.028 6.869 146 2HB ALA 17 2HB ALA 17 4.775 -7.674 6.144 147 3HB ALA 17 3HB ALA 17 3.142 -7.441 6.773 148 H ILE 18 H ILE 18 2.686 -6.258 9.132 149 HA ILE 18 HA ILE 18 2.043 -8.170 11.271 150 HB ILE 18 HB ILE 18 1.069 -5.325 11.057 151 1HG1 ILE 18 2HG1 ILE 18 3.342 -6.298 12.789 152 2HG1 ILE 18 1HG1 ILE 18 3.601 -5.576 11.204 153 1HG2 ILE 18 1HG2 ILE 18 -0.318 -6.164 12.619 154 2HG2 ILE 18 2HG2 ILE 18 1.072 -5.946 13.681 155 3HG2 ILE 18 3HG2 ILE 18 0.739 -7.528 12.977 156 1HD1 ILE 18 1HD1 ILE 18 3.915 -3.927 12.926 157 2HD1 ILE 18 2HD1 ILE 18 2.313 -4.261 13.584 158 3HD1 ILE 18 3HD1 ILE 18 2.477 -3.532 11.986 159 H ASP 19 H ASP 19 0.367 -5.949 9.022 160 HA ASP 19 HA ASP 19 -1.607 -8.027 8.499 161 1HB ASP 19 2HB ASP 19 -2.492 -5.271 9.365 162 2HB ASP 19 1HB ASP 19 -3.509 -6.673 9.049 163 H GLY 20 H GLY 20 0.036 -7.546 6.594 164 1HA GLY 20 2HA GLY 20 0.182 -6.941 4.384 165 2HA GLY 20 1HA GLY 20 -1.501 -6.452 4.495 166 H ASP 21 H ASP 21 -1.827 -4.303 5.686 167 HA ASP 21 HA ASP 21 -0.178 -2.339 4.371 168 1HB ASP 21 2HB ASP 21 -1.766 -0.712 5.295 169 2HB ASP 21 1HB ASP 21 -2.613 -2.040 4.506 170 H THR 22 H THR 22 -0.563 -3.661 7.568 171 HA THR 22 HA THR 22 1.263 -1.657 8.667 172 HB THR 22 HB THR 22 -0.050 -3.819 10.282 173 HG1 THR 22 1HG THR 22 -1.807 -2.960 9.330 174 1HG2 THR 22 1HG2 THR 22 0.001 -1.138 11.369 175 2HG2 THR 22 2HG2 THR 22 1.612 -1.734 10.972 176 3HG2 THR 22 3HG2 THR 22 0.574 -2.656 12.061 177 H VAL 23 H VAL 23 3.351 -2.158 8.454 178 HA VAL 23 HA VAL 23 4.192 -4.878 9.159 179 HB VAL 23 HB VAL 23 5.757 -4.977 7.300 180 1HG1 VAL 23 1HG1 VAL 23 3.251 -4.292 5.884 181 2HG1 VAL 23 2HG1 VAL 23 3.144 -5.504 7.159 182 3HG1 VAL 23 3HG1 VAL 23 4.240 -5.750 5.800 183 1HG2 VAL 23 1HG2 VAL 23 5.783 -3.332 5.531 184 2HG2 VAL 23 2HG2 VAL 23 6.108 -2.537 7.071 185 3HG2 VAL 23 3HG2 VAL 23 4.515 -2.405 6.330 186 H LYS 24 H LYS 24 6.281 -5.067 9.996 187 HA LYS 24 HA LYS 24 7.298 -2.633 11.202 188 1HB LYS 24 2HB LYS 24 7.649 -5.548 11.641 189 2HB LYS 24 1HB LYS 24 9.009 -4.520 12.069 190 1HG LYS 24 2HG LYS 24 7.034 -3.153 13.254 191 2HG LYS 24 1HG LYS 24 6.359 -4.782 13.329 192 1HD LYS 24 2HD LYS 24 7.571 -4.938 15.221 193 2HD LYS 24 1HD LYS 24 8.911 -5.247 14.114 194 1HE LYS 24 2HE LYS 24 9.872 -3.247 14.513 195 2HE LYS 24 1HE LYS 24 8.324 -2.409 14.615 196 1HZ LYS 24 1HZ LYS 24 8.072 -3.544 16.844 197 2HZ LYS 24 2HZ LYS 24 9.236 -2.318 16.755 198 3HZ LYS 24 3HZ LYS 24 9.713 -3.941 16.731 199 H LEU 25 H LEU 25 8.535 -1.413 9.939 200 HA LEU 25 HA LEU 25 10.544 -2.715 8.227 201 1HB LEU 25 2HB LEU 25 8.626 -0.922 7.516 202 2HB LEU 25 1HB LEU 25 9.978 0.147 7.832 203 HG LEU 25 HG LEU 25 10.291 -2.228 6.023 204 1HD1 LEU 25 1HD1 LEU 25 8.906 -1.343 4.533 205 2HD1 LEU 25 2HD1 LEU 25 9.969 0.060 4.439 206 3HD1 LEU 25 3HD1 LEU 25 8.611 0.056 5.563 207 1HD2 LEU 25 1HD2 LEU 25 11.973 -0.598 5.012 208 2HD2 LEU 25 2HD2 LEU 25 12.361 -1.280 6.592 209 3HD2 LEU 25 3HD2 LEU 25 11.738 0.366 6.470 210 H MET 26 H MET 26 12.633 -2.415 8.612 211 HA MET 26 HA MET 26 13.445 -0.848 10.894 212 1HB MET 26 2HB MET 26 14.444 -3.055 10.482 213 2HB MET 26 1HB MET 26 15.086 -2.481 8.948 214 1HG MET 26 2HG MET 26 16.111 -0.638 10.628 215 2HG MET 26 1HG MET 26 16.048 -2.045 11.689 216 1HE MET 26 1HE MET 26 19.489 -3.203 11.051 217 2HE MET 26 2HE MET 26 18.022 -3.337 12.022 218 3HE MET 26 3HE MET 26 18.824 -1.775 11.846 219 H TYR 27 H TYR 27 13.326 1.299 10.474 220 HA TYR 27 HA TYR 27 14.647 2.318 8.058 221 1HB TYR 27 2HB TYR 27 12.325 3.047 8.410 222 2HB TYR 27 1HB TYR 27 12.768 3.712 9.979 223 HD1 TYR 27 1HD TYR 27 14.315 5.676 10.082 224 HD2 TYR 27 2HD TYR 27 12.688 4.268 6.412 225 HE1 TYR 27 1HE TYR 27 14.874 7.822 9.018 226 HE2 TYR 27 2HE TYR 27 13.242 6.410 5.338 227 HH TYR 27 HH TYR 27 15.304 8.414 6.185 228 H LYS 28 H LYS 28 16.314 3.760 8.153 229 HA LYS 28 HA LYS 28 18.293 4.533 8.974 230 1HB LYS 28 2HB LYS 28 18.058 6.396 10.349 231 2HB LYS 28 1HB LYS 28 16.483 6.254 9.588 232 1HG LYS 28 2HG LYS 28 15.523 6.218 11.580 233 2HG LYS 28 1HG LYS 28 16.414 4.756 11.994 234 1HD LYS 28 2HD LYS 28 18.367 6.407 12.479 235 2HD LYS 28 1HD LYS 28 17.077 7.608 12.584 236 1HE LYS 28 2HE LYS 28 16.630 5.096 14.063 237 2HE LYS 28 1HE LYS 28 17.927 6.125 14.670 238 1HZ LYS 28 1HZ LYS 28 15.684 6.552 15.645 239 2HZ LYS 28 2HZ LYS 28 15.186 7.118 14.132 240 3HZ LYS 28 3HZ LYS 28 16.425 7.912 14.965 241 H GLY 29 H GLY 29 17.516 1.870 9.973 242 1HA GLY 29 2HA GLY 29 18.783 0.386 11.259 243 2HA GLY 29 1HA GLY 29 19.475 1.752 12.114 244 H GLN 30 H GLN 30 16.033 1.688 11.859 245 HA GLN 30 HA GLN 30 15.801 0.434 14.497 246 1HB GLN 30 2HB GLN 30 14.426 2.207 15.372 247 2HB GLN 30 1HB GLN 30 15.949 2.890 14.822 248 1HG GLN 30 2HG GLN 30 14.974 3.975 13.040 249 2HG GLN 30 1HG GLN 30 13.581 2.897 13.007 250 1HE2 GLN 30 1HE2 GLN 30 12.567 2.942 15.434 251 2HE2 GLN 30 2HE2 GLN 30 12.112 4.537 15.916 252 H ALA 31 H ALA 31 14.083 -0.859 14.727 253 HA ALA 31 HA ALA 31 12.391 -1.313 12.435 254 1HB ALA 31 1HB ALA 31 11.716 -3.292 13.487 255 2HB ALA 31 2HB ALA 31 12.127 -2.685 15.091 256 3HB ALA 31 3HB ALA 31 13.406 -3.102 13.951 257 H MET 32 H MET 32 10.734 0.024 12.112 258 HA MET 32 HA MET 32 9.018 0.682 14.415 259 1HB MET 32 2HB MET 32 8.439 2.787 13.169 260 2HB MET 32 1HB MET 32 10.091 2.711 13.764 261 1HG MET 32 2HG MET 32 10.969 2.361 11.630 262 2HG MET 32 1HG MET 32 9.400 1.913 10.964 263 1HE MET 32 1HE MET 32 10.859 5.909 12.368 264 2HE MET 32 2HE MET 32 11.740 5.378 10.936 265 3HE MET 32 3HE MET 32 11.679 4.347 12.366 266 H THR 33 H THR 33 6.762 0.860 13.991 267 HA THR 33 HA THR 33 5.848 -1.040 12.032 268 HB THR 33 HB THR 33 4.117 0.703 13.780 269 HG1 THR 33 1HG THR 33 4.311 -0.929 15.343 270 1HG2 THR 33 1HG2 THR 33 3.712 -1.791 12.247 271 2HG2 THR 33 2HG2 THR 33 2.602 -0.459 12.571 272 3HG2 THR 33 3HG2 THR 33 2.924 -1.662 13.819 273 H PHE 34 H PHE 34 5.593 -0.481 9.977 274 HA PHE 34 HA PHE 34 4.877 2.273 9.302 275 1HB PHE 34 2HB PHE 34 6.150 0.006 7.844 276 2HB PHE 34 1HB PHE 34 5.240 1.180 6.899 277 HD1 PHE 34 2HD PHE 34 8.132 0.706 9.117 278 HD2 PHE 34 1HD PHE 34 6.065 3.384 6.536 279 HE1 PHE 34 2HE PHE 34 10.078 2.212 9.126 280 HE2 PHE 34 1HE PHE 34 8.006 4.895 6.542 281 HZ PHE 34 HZ PHE 34 10.017 4.310 7.839 282 H ARG 35 H ARG 35 3.203 2.690 7.711 283 HA ARG 35 HA ARG 35 1.183 0.585 7.457 284 1HB ARG 35 2HB ARG 35 0.927 3.100 8.965 285 2HB ARG 35 1HB ARG 35 -0.400 2.768 7.861 286 1HG ARG 35 2HG ARG 35 0.251 0.396 9.330 287 2HG ARG 35 1HG ARG 35 -0.004 1.743 10.440 288 1HD ARG 35 2HD ARG 35 -2.163 2.201 9.410 289 2HD ARG 35 1HD ARG 35 -1.904 0.894 8.255 290 HE ARG 35 HE ARG 35 -1.686 -0.348 10.646 291 1HH1 ARG 35 1HH1 ARG 35 -4.109 1.751 9.267 292 2HH1 ARG 35 2HH1 ARG 35 -5.415 1.029 10.147 293 1HH2 ARG 35 1HH2 ARG 35 -3.402 -1.299 11.803 294 2HH2 ARG 35 2HH2 ARG 35 -5.014 -0.702 11.587 295 H LEU 36 H LEU 36 0.533 0.409 5.411 296 HA LEU 36 HA LEU 36 1.426 2.075 3.353 297 1HB LEU 36 2HB LEU 36 -0.383 -0.202 3.624 298 2HB LEU 36 1HB LEU 36 -0.852 0.892 2.337 299 HG LEU 36 HG LEU 36 1.919 -0.266 2.574 300 1HD1 LEU 36 1HD1 LEU 36 1.058 -1.684 0.598 301 2HD1 LEU 36 2HD1 LEU 36 -0.543 -1.338 1.253 302 3HD1 LEU 36 3HD1 LEU 36 0.652 -2.180 2.241 303 1HD2 LEU 36 1HD2 LEU 36 2.027 0.362 0.187 304 2HD2 LEU 36 2HD2 LEU 36 1.808 1.748 1.254 305 3HD2 LEU 36 3HD2 LEU 36 0.440 1.115 0.340 306 H LEU 37 H LEU 37 0.810 4.033 2.731 307 HA LEU 37 HA LEU 37 -1.504 5.277 3.904 308 1HB LEU 37 2HB LEU 37 0.934 6.120 2.665 309 2HB LEU 37 1HB LEU 37 -0.410 6.922 1.878 310 HG LEU 37 HG LEU 37 0.129 6.962 4.847 311 1HD1 LEU 37 1HD1 LEU 37 0.520 9.120 2.780 312 2HD1 LEU 37 2HD1 LEU 37 1.808 8.193 3.549 313 3HD1 LEU 37 3HD1 LEU 37 0.797 9.267 4.516 314 1HD2 LEU 37 1HD2 LEU 37 -2.263 7.342 3.547 315 2HD2 LEU 37 2HD2 LEU 37 -1.636 8.983 3.708 316 3HD2 LEU 37 3HD2 LEU 37 -1.841 7.972 5.139 317 H LEU 38 H LEU 38 -3.437 5.636 3.013 318 HA LEU 38 HA LEU 38 -5.178 5.608 1.560 319 1HB LEU 38 2HB LEU 38 -2.863 6.246 -0.171 320 2HB LEU 38 1HB LEU 38 -4.317 5.704 -0.985 321 HG LEU 38 HG LEU 38 -4.036 8.113 0.806 322 1HD1 LEU 38 1HD1 LEU 38 -4.407 9.403 -1.126 323 2HD1 LEU 38 2HD1 LEU 38 -4.893 7.995 -2.071 324 3HD1 LEU 38 3HD1 LEU 38 -3.209 8.194 -1.586 325 1HD2 LEU 38 1HD2 LEU 38 -6.467 8.457 -0.064 326 2HD2 LEU 38 2HD2 LEU 38 -6.173 7.427 1.338 327 3HD2 LEU 38 3HD2 LEU 38 -6.448 6.702 -0.247 328 H VAL 39 H VAL 39 -3.913 3.106 2.399 329 HA VAL 39 HA VAL 39 -5.151 1.395 0.390 330 HB VAL 39 HB VAL 39 -2.477 0.551 1.447 331 1HG1 VAL 39 1HG1 VAL 39 -2.753 -0.480 -1.046 332 2HG1 VAL 39 2HG1 VAL 39 -4.434 -0.395 -0.522 333 3HG1 VAL 39 3HG1 VAL 39 -3.256 -1.294 0.435 334 1HG2 VAL 39 1HG2 VAL 39 -3.015 2.419 -0.824 335 2HG2 VAL 39 2HG2 VAL 39 -1.655 1.300 -0.903 336 3HG2 VAL 39 3HG2 VAL 39 -1.750 2.482 0.403 337 H ASP 40 H ASP 40 -5.738 -0.688 1.180 338 HA ASP 40 HA ASP 40 -5.471 -1.089 4.070 339 1HB ASP 40 2HB ASP 40 -7.830 -0.163 2.870 340 2HB ASP 40 1HB ASP 40 -8.111 -1.875 3.172 341 H THR 41 H THR 41 -4.400 -2.949 4.180 342 HA THR 41 HA THR 41 -5.238 -5.149 2.409 343 HB THR 41 HB THR 41 -2.566 -4.955 3.786 344 HG1 THR 41 1HG THR 41 -2.848 -3.141 2.414 345 1HG2 THR 41 1HG2 THR 41 -2.642 -7.084 2.986 346 2HG2 THR 41 2HG2 THR 41 -2.011 -6.246 1.570 347 3HG2 THR 41 3HG2 THR 41 -3.722 -6.667 1.656 348 H ALA 42 H ALA 42 -6.861 -5.890 3.804 349 HA ALA 42 HA ALA 42 -7.686 -7.323 5.373 350 1HB ALA 42 1HB ALA 42 -6.272 -8.877 6.460 351 2HB ALA 42 2HB ALA 42 -4.867 -7.825 6.295 352 3HB ALA 42 3HB ALA 42 -5.562 -8.597 4.870 353 H GLU 43 H GLU 43 -7.994 -7.530 7.725 354 HA GLU 43 HA GLU 43 -6.760 -5.721 9.532 355 1HB GLU 43 2HB GLU 43 -8.102 -4.093 8.268 356 2HB GLU 43 1HB GLU 43 -9.555 -5.021 8.615 357 1HG GLU 43 2HG GLU 43 -9.648 -3.326 10.172 358 2HG GLU 43 1HG GLU 43 -8.929 -4.649 11.087 359 H THR 44 H THR 44 -9.678 -7.573 8.778 360 HA THR 44 HA THR 44 -10.968 -8.982 10.011 361 HB THR 44 HB THR 44 -9.154 -9.836 12.033 362 HG1 THR 44 1HG THR 44 -7.956 -9.501 9.486 363 1HG2 THR 44 1HG2 THR 44 -9.363 -11.287 9.454 364 2HG2 THR 44 2HG2 THR 44 -10.810 -11.106 10.447 365 3HG2 THR 44 3HG2 THR 44 -9.381 -11.901 11.107 366 H LYS 45 H LYS 45 -12.273 -7.290 10.845 367 HA LYS 45 HA LYS 45 -11.678 -6.491 13.611 368 1HB LYS 45 2HB LYS 45 -13.352 -4.710 13.256 369 2HB LYS 45 1HB LYS 45 -12.021 -4.618 12.112 370 1HG LYS 45 2HG LYS 45 -13.508 -4.551 10.477 371 2HG LYS 45 1HG LYS 45 -13.955 -6.210 10.875 372 1HD LYS 45 2HD LYS 45 -15.561 -5.296 12.554 373 2HD LYS 45 1HD LYS 45 -15.189 -3.679 11.954 374 1HE LYS 45 2HE LYS 45 -17.075 -4.189 10.737 375 2HE LYS 45 1HE LYS 45 -15.800 -4.710 9.635 376 1HZ LYS 45 1HZ LYS 45 -16.143 -6.960 10.908 377 2HZ LYS 45 2HZ LYS 45 -17.138 -6.534 9.609 378 3HZ LYS 45 3HZ LYS 45 -17.683 -6.320 11.197 379 H HIS 46 H HIS 46 -12.719 -9.092 12.870 380 HA HIS 46 HA HIS 46 -15.034 -9.110 14.616 381 1HB HIS 46 2HB HIS 46 -16.016 -8.813 12.375 382 2HB HIS 46 1HB HIS 46 -15.180 -10.260 11.822 383 HD1 HIS 46 1HD HIS 46 -16.864 -10.154 15.169 384 HD2 HIS 46 2HD HIS 46 -17.541 -11.662 11.357 385 HE1 HIS 46 1HE HIS 46 -18.833 -11.701 15.399 386 HE2 HIS 46 2HE HIS 46 -19.280 -12.532 13.063 387 H THR 47 H THR 47 -12.773 -10.953 12.618 388 HA THR 47 HA THR 47 -11.547 -12.817 13.100 389 HB THR 47 HB THR 47 -12.862 -13.287 15.730 390 HG1 THR 47 1HG THR 47 -11.087 -11.127 15.253 391 1HG2 THR 47 1HG2 THR 47 -10.658 -14.336 14.592 392 2HG2 THR 47 2HG2 THR 47 -10.924 -14.231 16.332 393 3HG2 THR 47 3HG2 THR 47 -9.950 -13.009 15.513 394 H LYS 48 H LYS 48 -13.153 -13.481 11.391 395 HA LYS 48 HA LYS 48 -15.136 -15.406 12.347 396 1HB LYS 48 2HB LYS 48 -15.524 -13.603 10.504 397 2HB LYS 48 1HB LYS 48 -14.670 -14.733 9.460 398 1HG LYS 48 2HG LYS 48 -16.335 -16.469 10.080 399 2HG LYS 48 1HG LYS 48 -17.225 -15.231 10.967 400 1HD LYS 48 2HD LYS 48 -16.549 -15.058 8.033 401 2HD LYS 48 1HD LYS 48 -18.084 -15.663 8.661 402 1HE LYS 48 2HE LYS 48 -18.080 -13.375 9.955 403 2HE LYS 48 1HE LYS 48 -16.985 -12.892 8.660 404 1HZ LYS 48 1HZ LYS 48 -19.830 -13.549 8.544 405 2HZ LYS 48 2HZ LYS 48 -18.882 -13.977 7.210 406 3HZ LYS 48 3HZ LYS 48 -18.959 -12.363 7.708 407 H LYS 49 H LYS 49 -12.310 -15.213 10.220 408 HA LYS 49 HA LYS 49 -11.346 -17.755 10.885 409 1HB LYS 49 2HB LYS 49 -11.799 -19.005 8.826 410 2HB LYS 49 1HB LYS 49 -13.288 -18.592 9.663 411 1HG LYS 49 2HG LYS 49 -12.434 -16.655 7.630 412 2HG LYS 49 1HG LYS 49 -12.867 -18.250 7.016 413 1HD LYS 49 2HD LYS 49 -14.696 -17.043 9.006 414 2HD LYS 49 1HD LYS 49 -14.659 -16.300 7.406 415 1HE LYS 49 2HE LYS 49 -16.143 -17.876 6.840 416 2HE LYS 49 1HE LYS 49 -14.757 -18.966 6.803 417 1HZ LYS 49 1HZ LYS 49 -16.260 -18.498 9.301 418 2HZ LYS 49 2HZ LYS 49 -15.262 -19.801 8.896 419 3HZ LYS 49 3HZ LYS 49 -16.783 -19.645 8.172 420 H GLY 50 H GLY 50 -11.516 -15.159 8.529 421 1HA GLY 50 2HA GLY 50 -9.395 -13.971 8.144 422 2HA GLY 50 1HA GLY 50 -8.631 -15.548 8.023 423 H VAL 51 H VAL 51 -11.750 -14.959 6.590 424 HA VAL 51 HA VAL 51 -10.595 -14.485 3.960 425 HB VAL 51 HB VAL 51 -12.459 -16.823 4.358 426 1HG1 VAL 51 1HG1 VAL 51 -10.785 -16.859 2.009 427 2HG1 VAL 51 2HG1 VAL 51 -11.727 -15.370 2.090 428 3HG1 VAL 51 3HG1 VAL 51 -12.542 -16.933 2.138 429 1HG2 VAL 51 1HG2 VAL 51 -10.376 -18.189 3.833 430 2HG2 VAL 51 2HG2 VAL 51 -10.493 -17.508 5.456 431 3HG2 VAL 51 3HG2 VAL 51 -9.455 -16.744 4.251 432 H GLU 52 H GLU 52 -12.433 -13.155 5.943 433 HA GLU 52 HA GLU 52 -15.044 -13.165 4.794 434 1HB GLU 52 2HB GLU 52 -15.316 -11.059 6.205 435 2HB GLU 52 1HB GLU 52 -14.942 -12.544 7.067 436 1HG GLU 52 2HG GLU 52 -12.802 -11.870 7.578 437 2HG GLU 52 1HG GLU 52 -12.732 -10.720 6.244 438 H LYS 53 H LYS 53 -12.099 -11.505 4.100 439 HA LYS 53 HA LYS 53 -13.226 -10.331 1.745 440 1HB LYS 53 2HB LYS 53 -12.762 -8.005 2.275 441 2HB LYS 53 1HB LYS 53 -13.910 -8.668 3.430 442 1HG LYS 53 2HG LYS 53 -11.272 -9.043 4.442 443 2HG LYS 53 1HG LYS 53 -11.463 -7.361 3.942 444 1HD LYS 53 2HD LYS 53 -13.501 -7.198 5.291 445 2HD LYS 53 1HD LYS 53 -13.305 -8.878 5.790 446 1HE LYS 53 2HE LYS 53 -12.427 -7.635 7.568 447 2HE LYS 53 1HE LYS 53 -11.012 -8.167 6.661 448 1HZ LYS 53 1HZ LYS 53 -11.459 -5.847 5.480 449 2HZ LYS 53 2HZ LYS 53 -10.490 -5.994 6.859 450 3HZ LYS 53 3HZ LYS 53 -12.097 -5.487 7.005 451 H TYR 54 H TYR 54 -11.162 -12.189 2.305 452 HA TYR 54 HA TYR 54 -9.054 -12.709 1.634 453 1HB TYR 54 2HB TYR 54 -9.677 -10.270 0.049 454 2HB TYR 54 1HB TYR 54 -7.994 -10.782 0.108 455 HD1 TYR 54 2HD TYR 54 -7.382 -13.068 -0.710 456 HD2 TYR 54 1HD TYR 54 -11.268 -11.432 -1.271 457 HE1 TYR 54 2HE TYR 54 -7.823 -14.735 -2.463 458 HE2 TYR 54 1HE TYR 54 -11.722 -13.095 -3.024 459 HH TYR 54 HH TYR 54 -10.209 -14.500 -4.665 460 H GLY 55 H GLY 55 -9.100 -11.915 4.148 461 1HA GLY 55 2HA GLY 55 -7.284 -9.702 4.604 462 2HA GLY 55 1HA GLY 55 -8.022 -10.719 5.833 463 H ALA 56 H ALA 56 -7.187 -13.229 4.820 464 HA ALA 56 HA ALA 56 -4.603 -13.386 5.971 465 1HB ALA 56 1HB ALA 56 -6.458 -15.185 5.805 466 2HB ALA 56 2HB ALA 56 -4.769 -15.682 5.709 467 3HB ALA 56 3HB ALA 56 -5.734 -15.548 4.238 468 H GLU 57 H GLU 57 -5.707 -13.911 2.621 469 HA GLU 57 HA GLU 57 -3.173 -14.266 1.489 470 1HB GLU 57 2HB GLU 57 -5.610 -14.568 0.518 471 2HB GLU 57 1HB GLU 57 -5.342 -12.935 -0.076 472 1HG GLU 57 2HG GLU 57 -4.419 -13.909 -1.847 473 2HG GLU 57 1HG GLU 57 -3.032 -14.206 -0.801 474 H ALA 58 H ALA 58 -4.889 -11.386 2.410 475 HA ALA 58 HA ALA 58 -3.527 -9.492 0.856 476 1HB ALA 58 1HB ALA 58 -5.004 -8.172 1.859 477 2HB ALA 58 2HB ALA 58 -4.129 -8.344 3.381 478 3HB ALA 58 3HB ALA 58 -5.421 -9.473 2.974 479 H SER 59 H SER 59 -2.878 -10.676 4.141 480 HA SER 59 HA SER 59 -0.499 -9.144 4.460 481 1HB SER 59 2HB SER 59 -1.964 -10.100 6.318 482 2HB SER 59 1HB SER 59 -1.199 -11.654 5.986 483 HG SER 59 HG SER 59 -0.270 -10.084 7.652 484 H ALA 60 H ALA 60 -1.184 -12.479 3.515 485 HA ALA 60 HA ALA 60 1.424 -13.468 3.481 486 1HB ALA 60 1HB ALA 60 -1.127 -14.218 2.174 487 2HB ALA 60 2HB ALA 60 -0.059 -15.167 3.208 488 3HB ALA 60 3HB ALA 60 0.355 -14.909 1.514 489 H PHE 61 H PHE 61 -0.318 -11.552 1.116 490 HA PHE 61 HA PHE 61 1.624 -11.854 -0.959 491 1HB PHE 61 2HB PHE 61 -0.637 -11.324 -1.585 492 2HB PHE 61 1HB PHE 61 -0.643 -9.896 -0.558 493 HD1 PHE 61 2HD PHE 61 0.965 -8.002 -1.165 494 HD2 PHE 61 1HD PHE 61 -0.036 -11.172 -3.823 495 HE1 PHE 61 2HE PHE 61 1.692 -6.627 -3.070 496 HE2 PHE 61 1HE PHE 61 0.692 -9.802 -5.734 497 HZ PHE 61 HZ PHE 61 1.556 -7.525 -5.359 498 H THR 62 H THR 62 0.907 -9.369 1.455 499 HA THR 62 HA THR 62 2.970 -7.605 0.572 500 HB THR 62 HB THR 62 1.761 -7.550 3.321 501 HG1 THR 62 1HG THR 62 -0.097 -7.527 2.336 502 1HG2 THR 62 1HG2 THR 62 2.755 -5.584 3.423 503 2HG2 THR 62 2HG2 THR 62 1.736 -5.034 2.092 504 3HG2 THR 62 3HG2 THR 62 3.319 -5.737 1.760 505 H LYS 63 H LYS 63 2.675 -9.916 3.251 506 HA LYS 63 HA LYS 63 5.200 -9.332 4.384 507 1HB LYS 63 2HB LYS 63 4.895 -11.302 5.738 508 2HB LYS 63 1HB LYS 63 3.375 -10.431 5.629 509 1HG LYS 63 2HG LYS 63 2.348 -12.229 4.865 510 2HG LYS 63 1HG LYS 63 3.501 -12.379 3.541 511 1HD LYS 63 2HD LYS 63 3.447 -14.398 4.926 512 2HD LYS 63 1HD LYS 63 5.024 -13.610 4.995 513 1HE LYS 63 2HE LYS 63 4.572 -12.712 7.147 514 2HE LYS 63 1HE LYS 63 2.871 -13.164 7.051 515 1HZ LYS 63 1HZ LYS 63 3.950 -14.729 8.439 516 2HZ LYS 63 2HZ LYS 63 5.202 -14.976 7.330 517 3HZ LYS 63 3HZ LYS 63 3.641 -15.521 6.977 518 H LYS 64 H LYS 64 4.180 -11.648 1.934 519 HA LYS 64 HA LYS 64 6.642 -13.084 1.831 520 1HB LYS 64 2HB LYS 64 4.295 -12.797 -0.029 521 2HB LYS 64 1HB LYS 64 5.728 -13.682 -0.519 522 1HG LYS 64 2HG LYS 64 3.628 -14.844 0.585 523 2HG LYS 64 1HG LYS 64 5.270 -15.439 0.813 524 1HD LYS 64 2HD LYS 64 5.145 -13.719 2.863 525 2HD LYS 64 1HD LYS 64 3.435 -14.115 2.722 526 1HE LYS 64 2HE LYS 64 3.793 -16.019 3.804 527 2HE LYS 64 1HE LYS 64 4.891 -16.536 2.525 528 1HZ LYS 64 1HZ LYS 64 6.410 -14.829 3.967 529 2HZ LYS 64 2HZ LYS 64 6.423 -16.513 4.128 530 3HZ LYS 64 3HZ LYS 64 5.481 -15.572 5.171 531 H MET 65 H MET 65 5.176 -10.802 -0.407 532 HA MET 65 HA MET 65 7.374 -10.455 -2.085 533 1HB MET 65 2HB MET 65 4.831 -9.612 -2.163 534 2HB MET 65 1HB MET 65 5.601 -8.115 -1.652 535 1HG MET 65 2HG MET 65 5.830 -7.770 -3.849 536 2HG MET 65 1HG MET 65 7.226 -8.832 -3.681 537 1HE MET 65 1HE MET 65 5.630 -9.700 -7.122 538 2HE MET 65 2HE MET 65 6.460 -8.404 -6.261 539 3HE MET 65 3HE MET 65 4.704 -8.372 -6.422 540 H VAL 66 H VAL 66 6.636 -8.962 0.991 541 HA VAL 66 HA VAL 66 8.658 -6.920 0.678 542 HB VAL 66 HB VAL 66 6.565 -6.592 2.026 543 1HG1 VAL 66 1HG1 VAL 66 6.394 -7.474 4.233 544 2HG1 VAL 66 2HG1 VAL 66 7.994 -8.208 4.125 545 3HG1 VAL 66 3HG1 VAL 66 6.674 -8.823 3.135 546 1HG2 VAL 66 1HG2 VAL 66 7.582 -5.106 3.506 547 2HG2 VAL 66 2HG2 VAL 66 8.755 -5.271 2.200 548 3HG2 VAL 66 3HG2 VAL 66 8.998 -6.136 3.718 549 H GLU 67 H GLU 67 8.314 -9.936 2.514 550 HA GLU 67 HA GLU 67 10.894 -9.701 3.736 551 1HB GLU 67 2HB GLU 67 10.481 -11.849 4.676 552 2HB GLU 67 1HB GLU 67 8.954 -10.979 4.699 553 1HG GLU 67 2HG GLU 67 8.067 -12.786 3.774 554 2HG GLU 67 1HG GLU 67 8.883 -12.300 2.291 555 H ASN 68 H ASN 68 9.615 -11.167 0.839 556 HA ASN 68 HA ASN 68 12.038 -12.636 0.275 557 1HB ASN 68 2HB ASN 68 9.504 -12.163 -1.299 558 2HB ASN 68 1HB ASN 68 10.870 -13.077 -1.934 559 1HD2 ASN 68 1HD2 ASN 68 11.503 -15.004 -0.813 560 2HD2 ASN 68 2HD2 ASN 68 10.332 -15.904 0.082 561 H ALA 69 H ALA 69 10.679 -9.528 -0.453 562 HA ALA 69 HA ALA 69 12.055 -8.869 -2.788 563 1HB ALA 69 1HB ALA 69 10.420 -7.345 -2.231 564 2HB ALA 69 2HB ALA 69 11.883 -6.472 -1.775 565 3HB ALA 69 3HB ALA 69 10.912 -7.273 -0.540 566 H LYS 70 H LYS 70 13.047 -8.615 0.594 567 HA LYS 70 HA LYS 70 15.148 -8.690 1.507 568 1HB LYS 70 2HB LYS 70 16.345 -8.266 -1.225 569 2HB LYS 70 1HB LYS 70 17.127 -8.909 0.211 570 1HG LYS 70 2HG LYS 70 16.571 -10.970 -0.361 571 2HG LYS 70 1HG LYS 70 14.862 -10.529 -0.415 572 1HD LYS 70 2HD LYS 70 14.862 -10.275 -2.668 573 2HD LYS 70 1HD LYS 70 16.518 -9.668 -2.706 574 1HE LYS 70 2HE LYS 70 15.782 -12.547 -2.205 575 2HE LYS 70 1HE LYS 70 16.204 -11.898 -3.789 576 1HZ LYS 70 1HZ LYS 70 17.989 -12.990 -2.214 577 2HZ LYS 70 2HZ LYS 70 18.070 -11.419 -1.591 578 3HZ LYS 70 3HZ LYS 70 18.380 -11.696 -3.231 579 H LYS 71 H LYS 71 14.246 -6.246 -0.811 580 HA LYS 71 HA LYS 71 15.581 -4.244 0.877 581 1HB LYS 71 2HB LYS 71 16.862 -4.482 -1.191 582 2HB LYS 71 1HB LYS 71 15.404 -4.232 -2.142 583 1HG LYS 71 2HG LYS 71 15.466 -2.001 -0.549 584 2HG LYS 71 1HG LYS 71 17.174 -2.295 -0.878 585 1HD LYS 71 2HD LYS 71 15.480 -2.585 -3.237 586 2HD LYS 71 1HD LYS 71 15.420 -0.969 -2.531 587 1HE LYS 71 2HE LYS 71 17.887 -0.891 -2.582 588 2HE LYS 71 1HE LYS 71 17.899 -2.469 -3.368 589 1HZ LYS 71 1HZ LYS 71 16.256 -0.435 -4.633 590 2HZ LYS 71 2HZ LYS 71 17.272 -1.594 -5.329 591 3HZ LYS 71 3HZ LYS 71 17.927 -0.170 -4.695 592 H ILE 72 H ILE 72 14.149 -2.901 1.748 593 HA ILE 72 HA ILE 72 11.660 -2.361 0.263 594 HB ILE 72 HB ILE 72 11.932 -2.459 3.268 595 1HG1 ILE 72 2HG1 ILE 72 10.415 -4.513 2.944 596 2HG1 ILE 72 1HG1 ILE 72 10.961 -4.495 1.269 597 1HG2 ILE 72 1HG2 ILE 72 10.176 -1.003 2.776 598 2HG2 ILE 72 2HG2 ILE 72 9.377 -2.555 3.033 599 3HG2 ILE 72 3HG2 ILE 72 9.645 -1.960 1.394 600 1HD1 ILE 72 1HD1 ILE 72 12.159 -5.867 3.259 601 2HD1 ILE 72 2HD1 ILE 72 13.103 -4.377 3.267 602 3HD1 ILE 72 3HD1 ILE 72 12.971 -5.330 1.789 603 H GLU 73 H GLU 73 10.940 -0.296 0.149 604 HA GLU 73 HA GLU 73 12.461 1.790 1.553 605 1HB GLU 73 2HB GLU 73 11.908 1.561 -1.392 606 2HB GLU 73 1HB GLU 73 12.147 3.133 -0.645 607 1HG GLU 73 2HG GLU 73 14.332 2.203 0.254 608 2HG GLU 73 1HG GLU 73 14.093 0.865 -0.869 609 H VAL 74 H VAL 74 11.242 3.431 2.365 610 HA VAL 74 HA VAL 74 8.360 3.348 1.753 611 HB VAL 74 HB VAL 74 7.951 4.289 3.972 612 1HG1 VAL 74 1HG1 VAL 74 9.689 2.026 4.690 613 2HG1 VAL 74 2HG1 VAL 74 8.535 1.716 3.391 614 3HG1 VAL 74 3HG1 VAL 74 7.963 2.269 4.965 615 1HG2 VAL 74 1HG2 VAL 74 10.583 5.096 3.880 616 2HG2 VAL 74 2HG2 VAL 74 10.607 3.785 5.058 617 3HG2 VAL 74 3HG2 VAL 74 9.530 5.161 5.293 618 H GLU 75 H GLU 75 7.215 5.285 1.534 619 HA GLU 75 HA GLU 75 8.851 7.712 1.230 620 1HB GLU 75 2HB GLU 75 8.334 6.688 -0.980 621 2HB GLU 75 1HB GLU 75 6.621 6.864 -0.626 622 1HG GLU 75 2HG GLU 75 6.802 9.248 -0.614 623 2HG GLU 75 1HG GLU 75 8.558 9.160 -0.746 624 H PHE 76 H PHE 76 8.167 9.190 2.623 625 HA PHE 76 HA PHE 76 5.447 9.085 3.649 626 1HB PHE 76 2HB PHE 76 7.948 10.537 4.450 627 2HB PHE 76 1HB PHE 76 6.385 11.075 5.053 628 HD1 PHE 76 2HD PHE 76 8.884 8.410 5.130 629 HD2 PHE 76 1HD PHE 76 5.128 9.741 6.622 630 HE1 PHE 76 2HE PHE 76 8.989 6.706 6.902 631 HE2 PHE 76 1HE PHE 76 5.228 8.042 8.399 632 HZ PHE 76 HZ PHE 76 7.159 6.521 8.540 633 H ASP 77 H ASP 77 3.850 10.329 2.942 634 HA ASP 77 HA ASP 77 4.429 12.399 0.982 635 1HB ASP 77 2HB ASP 77 2.464 10.530 1.089 636 2HB ASP 77 1HB ASP 77 1.627 11.913 1.788 637 H LYS 78 H LYS 78 2.365 14.147 1.287 638 HA LYS 78 HA LYS 78 3.242 15.660 3.600 639 1HB LYS 78 2HB LYS 78 1.266 16.432 1.447 640 2HB LYS 78 1HB LYS 78 2.007 17.510 2.622 641 1HG LYS 78 2HG LYS 78 3.422 17.948 0.938 642 2HG LYS 78 1HG LYS 78 4.212 16.467 1.483 643 1HD LYS 78 2HD LYS 78 2.292 15.486 -0.187 644 2HD LYS 78 1HD LYS 78 2.707 17.010 -0.975 645 1HE LYS 78 2HE LYS 78 5.041 15.522 -0.066 646 2HE LYS 78 1HE LYS 78 4.064 14.625 -1.228 647 1HZ LYS 78 1HZ LYS 78 4.185 16.553 -2.716 648 2HZ LYS 78 2HZ LYS 78 5.716 15.925 -2.370 649 3HZ LYS 78 3HZ LYS 78 5.194 17.345 -1.612 650 H GLY 79 H GLY 79 0.706 13.534 2.847 651 1HA GLY 79 2HA GLY 79 -1.468 14.621 4.215 652 2HA GLY 79 1HA GLY 79 -1.177 12.905 3.993 653 H GLN 80 H GLN 80 -0.695 11.704 5.729 654 HA GLN 80 HA GLN 80 -0.030 13.132 8.219 655 1HB GLN 80 2HB GLN 80 -2.290 12.244 8.324 656 2HB GLN 80 1HB GLN 80 -1.718 10.653 7.845 657 1HG GLN 80 2HG GLN 80 -1.089 10.122 9.919 658 2HG GLN 80 1HG GLN 80 -0.397 11.715 10.222 659 1HE2 GLN 80 1HE2 GLN 80 -3.594 10.256 9.703 660 2HE2 GLN 80 2HE2 GLN 80 -4.381 11.116 10.977 661 H ARG 81 H ARG 81 1.485 12.225 9.592 662 HA ARG 81 HA ARG 81 3.243 10.250 8.339 663 1HB ARG 81 2HB ARG 81 3.939 12.575 9.386 664 2HB ARG 81 1HB ARG 81 3.937 11.654 10.884 665 1HG ARG 81 2HG ARG 81 5.350 10.245 8.800 666 2HG ARG 81 1HG ARG 81 6.007 11.864 9.041 667 1HD ARG 81 2HD ARG 81 5.686 11.041 11.608 668 2HD ARG 81 1HD ARG 81 6.058 9.514 10.807 669 HE ARG 81 HE ARG 81 7.870 11.576 10.047 670 1HH1 ARG 81 1HH1 ARG 81 7.135 9.308 12.594 671 2HH1 ARG 81 2HH1 ARG 81 8.767 9.230 13.167 672 1HH2 ARG 81 1HH2 ARG 81 10.017 11.475 10.798 673 2HH2 ARG 81 2HH2 ARG 81 10.404 10.460 12.148 674 H THR 82 H THR 82 1.169 10.730 11.091 675 HA THR 82 HA THR 82 1.442 7.908 11.771 676 HB THR 82 HB THR 82 1.830 8.272 14.090 677 HG1 THR 82 1HG THR 82 1.383 11.003 13.503 678 1HG2 THR 82 1HG2 THR 82 3.785 8.756 12.411 679 2HG2 THR 82 2HG2 THR 82 3.975 9.031 14.142 680 3HG2 THR 82 3HG2 THR 82 3.642 10.387 13.064 681 H ASP 83 H ASP 83 -0.558 7.153 11.624 682 HA ASP 83 HA ASP 83 -2.867 8.805 11.800 683 1HB ASP 83 2HB ASP 83 -2.499 6.577 10.498 684 2HB ASP 83 1HB ASP 83 -2.976 5.813 12.012 685 H LYS 84 H LYS 84 -2.006 9.553 14.046 686 HA LYS 84 HA LYS 84 -2.181 9.601 16.323 687 1HB LYS 84 2HB LYS 84 -4.858 8.303 15.840 688 2HB LYS 84 1HB LYS 84 -4.412 9.402 17.138 689 1HG LYS 84 2HG LYS 84 -4.467 10.182 14.233 690 2HG LYS 84 1HG LYS 84 -5.820 10.409 15.343 691 1HD LYS 84 2HD LYS 84 -4.707 12.023 16.575 692 2HD LYS 84 1HD LYS 84 -3.115 11.466 16.054 693 1HE LYS 84 2HE LYS 84 -3.272 13.341 14.774 694 2HE LYS 84 1HE LYS 84 -4.056 12.197 13.684 695 1HZ LYS 84 1HZ LYS 84 -5.587 13.861 13.697 696 2HZ LYS 84 2HZ LYS 84 -5.231 14.353 15.276 697 3HZ LYS 84 3HZ LYS 84 -6.166 12.968 15.014 698 H TYR 85 H TYR 85 -0.996 7.150 15.225 699 HA TYR 85 HA TYR 85 -1.380 5.471 17.589 700 1HB TYR 85 2HB TYR 85 -1.455 4.450 14.744 701 2HB TYR 85 1HB TYR 85 -1.347 3.424 16.171 702 HD1 TYR 85 2HD TYR 85 -3.250 4.639 18.009 703 HD2 TYR 85 1HD TYR 85 -3.540 4.071 13.802 704 HE1 TYR 85 2HE TYR 85 -5.703 4.623 18.185 705 HE2 TYR 85 1HE TYR 85 -5.993 4.053 13.967 706 HH TYR 85 HH TYR 85 -7.689 5.226 16.296 707 H GLY 86 H GLY 86 0.707 7.339 16.455 708 1HA GLY 86 2HA GLY 86 2.994 7.442 16.267 709 2HA GLY 86 1HA GLY 86 2.990 6.081 17.377 710 H ARG 87 H ARG 87 1.469 5.759 14.275 711 HA ARG 87 HA ARG 87 3.436 3.745 13.545 712 1HB ARG 87 2HB ARG 87 0.643 4.350 12.825 713 2HB ARG 87 1HB ARG 87 1.632 3.755 11.498 714 1HG ARG 87 2HG ARG 87 1.983 1.704 12.503 715 2HG ARG 87 1HG ARG 87 1.623 2.320 14.117 716 1HD ARG 87 2HD ARG 87 -0.648 2.642 12.374 717 2HD ARG 87 1HD ARG 87 -0.105 0.964 12.384 718 HE ARG 87 HE ARG 87 -1.499 2.277 14.445 719 1HH1 ARG 87 1HH1 ARG 87 1.150 0.055 13.975 720 2HH1 ARG 87 2HH1 ARG 87 0.948 -0.708 15.515 721 1HH2 ARG 87 1HH2 ARG 87 -1.767 1.275 16.472 722 2HH2 ARG 87 2HH2 ARG 87 -0.708 -0.016 16.934 723 H GLY 88 H GLY 88 3.909 3.647 11.076 724 1HA GLY 88 2HA GLY 88 4.864 6.328 10.307 725 2HA GLY 88 1HA GLY 88 5.640 4.819 9.854 726 H LEU 89 H LEU 89 2.723 6.768 9.366 727 HA LEU 89 HA LEU 89 1.626 5.295 7.255 728 1HB LEU 89 2HB LEU 89 1.350 8.047 8.304 729 2HB LEU 89 1HB LEU 89 0.850 7.812 6.640 730 HG LEU 89 HG LEU 89 -0.239 6.383 9.065 731 1HD1 LEU 89 1HD1 LEU 89 -1.407 8.314 9.126 732 2HD1 LEU 89 2HD1 LEU 89 -2.350 7.517 7.867 733 3HD1 LEU 89 3HD1 LEU 89 -1.100 8.683 7.429 734 1HD2 LEU 89 1HD2 LEU 89 -0.774 4.720 7.687 735 2HD2 LEU 89 2HD2 LEU 89 -0.217 5.618 6.275 736 3HD2 LEU 89 3HD2 LEU 89 -1.861 5.845 6.872 737 H ALA 90 H ALA 90 2.266 4.979 5.230 738 HA ALA 90 HA ALA 90 3.265 6.848 3.459 739 1HB ALA 90 1HB ALA 90 5.705 5.923 3.402 740 2HB ALA 90 2HB ALA 90 5.389 5.530 5.092 741 3HB ALA 90 3HB ALA 90 5.270 7.200 4.539 742 H TYR 91 H TYR 91 4.298 5.823 1.501 743 HA TYR 91 HA TYR 91 2.875 3.385 0.898 744 1HB TYR 91 2HB TYR 91 4.660 5.164 -0.770 745 2HB TYR 91 1HB TYR 91 3.863 3.723 -1.392 746 HD1 TYR 91 1HD TYR 91 3.353 7.147 -0.161 747 HD2 TYR 91 2HD TYR 91 1.494 3.707 -1.837 748 HE1 TYR 91 1HE TYR 91 1.343 8.477 -0.648 749 HE2 TYR 91 2HE TYR 91 -0.521 5.028 -2.330 750 HH TYR 91 HH TYR 91 -0.579 8.434 -2.137 751 H ILE 92 H ILE 92 3.737 1.392 0.458 752 HA ILE 92 HA ILE 92 6.506 0.992 1.340 753 HB ILE 92 HB ILE 92 4.399 -1.121 0.906 754 1HG1 ILE 92 2HG1 ILE 92 3.732 0.550 2.638 755 2HG1 ILE 92 1HG1 ILE 92 3.976 -1.069 3.285 756 1HG2 ILE 92 1HG2 ILE 92 6.098 -2.106 2.755 757 2HG2 ILE 92 2HG2 ILE 92 7.201 -1.113 1.803 758 3HG2 ILE 92 3HG2 ILE 92 6.260 -2.382 1.020 759 1HD1 ILE 92 1HD1 ILE 92 4.992 1.194 4.359 760 2HD1 ILE 92 2HD1 ILE 92 6.345 0.651 3.367 761 3HD1 ILE 92 3HD1 ILE 92 5.667 -0.417 4.596 762 H TYR 93 H TYR 93 8.057 0.262 0.019 763 HA TYR 93 HA TYR 93 7.289 -0.747 -2.630 764 1HB TYR 93 2HB TYR 93 9.492 1.253 -2.087 765 2HB TYR 93 1HB TYR 93 9.117 0.539 -3.652 766 HD1 TYR 93 1HD TYR 93 6.839 1.016 -4.671 767 HD2 TYR 93 2HD TYR 93 8.378 3.188 -1.353 768 HE1 TYR 93 1HE TYR 93 5.230 2.822 -5.116 769 HE2 TYR 93 2HE TYR 93 6.777 5.002 -1.791 770 HH TYR 93 HH TYR 93 4.188 4.856 -3.265 771 H ALA 94 H ALA 94 8.176 -2.652 -3.057 772 HA ALA 94 HA ALA 94 10.530 -3.480 -1.498 773 1HB ALA 94 1HB ALA 94 8.105 -4.734 -1.779 774 2HB ALA 94 2HB ALA 94 9.602 -5.497 -1.243 775 3HB ALA 94 3HB ALA 94 9.123 -5.589 -2.938 776 H ASP 95 H ASP 95 12.397 -3.844 -2.495 777 HA ASP 95 HA ASP 95 13.959 -3.715 -4.172 778 1HB ASP 95 2HB ASP 95 13.105 -6.126 -4.067 779 2HB ASP 95 1HB ASP 95 12.205 -5.751 -5.534 780 H GLY 96 H GLY 96 12.182 -1.627 -4.506 781 1HA GLY 96 2HA GLY 96 11.792 -0.013 -6.107 782 2HA GLY 96 1HA GLY 96 12.534 -1.074 -7.293 783 H LYS 97 H LYS 97 9.902 -2.281 -5.393 784 HA LYS 97 HA LYS 97 8.160 -2.081 -7.758 785 1HB LYS 97 2HB LYS 97 8.801 -4.384 -7.225 786 2HB LYS 97 1HB LYS 97 8.195 -4.184 -5.586 787 1HG LYS 97 2HG LYS 97 6.017 -4.330 -6.220 788 2HG LYS 97 1HG LYS 97 6.325 -3.673 -7.828 789 1HD LYS 97 2HD LYS 97 7.700 -5.932 -8.068 790 2HD LYS 97 1HD LYS 97 6.558 -6.463 -6.831 791 1HE LYS 97 2HE LYS 97 5.843 -5.260 -9.504 792 2HE LYS 97 1HE LYS 97 5.745 -6.968 -9.082 793 1HZ LYS 97 1HZ LYS 97 4.333 -5.243 -7.261 794 2HZ LYS 97 2HZ LYS 97 3.819 -6.664 -8.022 795 3HZ LYS 97 3HZ LYS 97 3.731 -5.188 -8.842 796 H MET 98 H MET 98 5.898 -1.775 -7.397 797 HA MET 98 HA MET 98 5.369 -0.164 -5.015 798 1HB MET 98 2HB MET 98 3.822 -0.459 -7.592 799 2HB MET 98 1HB MET 98 3.375 0.609 -6.268 800 1HG MET 98 2HG MET 98 5.702 1.643 -6.593 801 2HG MET 98 1HG MET 98 5.699 0.805 -8.143 802 1HE MET 98 1HE MET 98 3.397 2.540 -5.827 803 2HE MET 98 2HE MET 98 2.255 3.402 -6.857 804 3HE MET 98 3HE MET 98 3.761 4.178 -6.368 805 H VAL 99 H VAL 99 4.583 -1.263 -3.344 806 HA VAL 99 HA VAL 99 3.173 -3.730 -3.617 807 HB VAL 99 HB VAL 99 3.360 -2.011 -1.145 808 1HG1 VAL 99 1HG1 VAL 99 2.673 -3.824 0.063 809 2HG1 VAL 99 2HG1 VAL 99 3.287 -4.983 -1.115 810 3HG1 VAL 99 3HG1 VAL 99 1.787 -4.111 -1.435 811 1HG2 VAL 99 1HG2 VAL 99 5.398 -3.576 -2.555 812 2HG2 VAL 99 2HG2 VAL 99 5.246 -3.956 -0.840 813 3HG2 VAL 99 3HG2 VAL 99 5.576 -2.302 -1.350 814 H ASN 100 H ASN 100 2.201 -0.470 -2.574 815 HA ASN 100 HA ASN 100 -0.416 -0.868 -1.925 816 1HB ASN 100 2HB ASN 100 -0.812 1.478 -2.804 817 2HB ASN 100 1HB ASN 100 0.504 1.304 -1.647 818 1HD2 ASN 100 1HD2 ASN 100 2.550 1.770 -2.257 819 2HD2 ASN 100 2HD2 ASN 100 2.980 2.381 -3.815 820 H GLU 101 H GLU 101 0.810 -0.235 -5.209 821 HA GLU 101 HA GLU 101 -1.769 -0.557 -6.403 822 1HB GLU 101 2HB GLU 101 -0.678 -0.220 -8.492 823 2HB GLU 101 1HB GLU 101 0.091 0.854 -7.333 824 1HG GLU 101 2HG GLU 101 1.955 -0.682 -7.116 825 2HG GLU 101 1HG GLU 101 1.182 -1.800 -8.239 826 H ALA 102 H ALA 102 1.124 -2.592 -6.127 827 HA ALA 102 HA ALA 102 0.304 -4.710 -7.740 828 1HB ALA 102 1HB ALA 102 1.952 -4.952 -5.228 829 2HB ALA 102 2HB ALA 102 2.581 -4.403 -6.782 830 3HB ALA 102 3HB ALA 102 1.949 -6.041 -6.615 831 H LEU 103 H LEU 103 -0.410 -4.008 -4.360 832 HA LEU 103 HA LEU 103 -1.703 -6.477 -3.808 833 1HB LEU 103 2HB LEU 103 -1.538 -3.812 -2.477 834 2HB LEU 103 1HB LEU 103 -2.787 -4.927 -1.959 835 HG LEU 103 HG LEU 103 0.085 -5.791 -2.068 836 1HD1 LEU 103 1HD1 LEU 103 -1.248 -4.534 0.321 837 2HD1 LEU 103 2HD1 LEU 103 -0.109 -3.692 -0.731 838 3HD1 LEU 103 3HD1 LEU 103 0.417 -5.101 0.191 839 1HD2 LEU 103 1HD2 LEU 103 -2.369 -6.688 -0.571 840 2HD2 LEU 103 2HD2 LEU 103 -0.742 -7.266 -0.212 841 3HD2 LEU 103 3HD2 LEU 103 -1.459 -7.577 -1.794 842 H VAL 104 H VAL 104 -2.973 -3.221 -4.505 843 HA VAL 104 HA VAL 104 -5.687 -3.980 -4.542 844 HB VAL 104 HB VAL 104 -4.450 -1.666 -6.029 845 1HG1 VAL 104 1HG1 VAL 104 -6.998 -2.557 -6.176 846 2HG1 VAL 104 2HG1 VAL 104 -6.526 -0.870 -6.381 847 3HG1 VAL 104 3HG1 VAL 104 -7.120 -1.437 -4.820 848 1HG2 VAL 104 1HG2 VAL 104 -4.208 -0.505 -4.121 849 2HG2 VAL 104 2HG2 VAL 104 -4.189 -2.092 -3.354 850 3HG2 VAL 104 3HG2 VAL 104 -5.685 -1.161 -3.418 851 H ARG 105 H ARG 105 -3.373 -3.464 -7.204 852 HA ARG 105 HA ARG 105 -5.107 -4.033 -9.310 853 1HB ARG 105 2HB ARG 105 -3.156 -4.353 -10.673 854 2HB ARG 105 1HB ARG 105 -2.826 -3.051 -9.539 855 1HG ARG 105 2HG ARG 105 -0.900 -4.158 -9.235 856 2HG ARG 105 1HG ARG 105 -1.872 -5.151 -8.147 857 1HD ARG 105 2HD ARG 105 -2.201 -6.806 -9.831 858 2HD ARG 105 1HD ARG 105 -1.497 -5.768 -11.070 859 HE ARG 105 HE ARG 105 -0.090 -7.413 -9.176 860 1HH1 ARG 105 1HH1 ARG 105 0.121 -4.616 -11.255 861 2HH1 ARG 105 2HH1 ARG 105 1.845 -4.691 -11.388 862 1HH2 ARG 105 1HH2 ARG 105 2.178 -7.512 -9.351 863 2HH2 ARG 105 2HH2 ARG 105 3.014 -6.335 -10.309 864 H GLN 106 H GLN 106 -3.378 -6.173 -7.150 865 HA GLN 106 HA GLN 106 -4.025 -8.528 -8.715 866 1HB GLN 106 2HB GLN 106 -2.515 -8.017 -6.181 867 2HB GLN 106 1HB GLN 106 -3.076 -9.643 -6.538 868 1HG GLN 106 2HG GLN 106 -1.753 -8.441 -8.812 869 2HG GLN 106 1HG GLN 106 -0.718 -8.475 -7.386 870 1HE2 GLN 106 1HE2 GLN 106 -1.054 -10.692 -6.153 871 2HE2 GLN 106 2HE2 GLN 106 -0.858 -12.083 -7.159 872 H GLY 107 H GLY 107 -5.274 -6.772 -5.982 873 1HA GLY 107 2HA GLY 107 -7.579 -6.983 -5.366 874 2HA GLY 107 1HA GLY 107 -7.523 -8.663 -5.873 875 H LEU 108 H LEU 108 -5.329 -6.857 -3.751 876 HA LEU 108 HA LEU 108 -6.048 -8.719 -1.581 877 1HB LEU 108 2HB LEU 108 -3.368 -7.694 -2.462 878 2HB LEU 108 1HB LEU 108 -3.623 -8.235 -0.813 879 HG LEU 108 HG LEU 108 -2.657 -10.035 -2.070 880 1HD1 LEU 108 1HD1 LEU 108 -4.005 -11.664 -1.279 881 2HD1 LEU 108 2HD1 LEU 108 -5.452 -10.982 -2.021 882 3HD1 LEU 108 3HD1 LEU 108 -4.824 -10.298 -0.521 883 1HD2 LEU 108 1HD2 LEU 108 -4.973 -10.252 -3.914 884 2HD2 LEU 108 2HD2 LEU 108 -3.289 -10.719 -4.149 885 3HD2 LEU 108 3HD2 LEU 108 -3.756 -9.022 -4.258 886 H ALA 109 H ALA 109 -5.284 -5.442 -2.509 887 HA ALA 109 HA ALA 109 -6.122 -4.550 0.168 888 1HB ALA 109 1HB ALA 109 -4.035 -3.131 -1.468 889 2HB ALA 109 2HB ALA 109 -3.642 -4.332 -0.239 890 3HB ALA 109 3HB ALA 109 -4.480 -2.848 0.216 891 H LYS 110 H LYS 110 -7.100 -2.437 0.237 892 HA LYS 110 HA LYS 110 -8.300 -1.648 -2.337 893 1HB LYS 110 2HB LYS 110 -10.287 -0.936 -1.069 894 2HB LYS 110 1HB LYS 110 -9.966 -2.653 -0.874 895 1HG LYS 110 2HG LYS 110 -10.451 -2.042 1.277 896 2HG LYS 110 1HG LYS 110 -8.695 -1.880 1.269 897 1HD LYS 110 2HD LYS 110 -8.780 0.438 1.218 898 2HD LYS 110 1HD LYS 110 -10.422 0.461 0.569 899 1HE LYS 110 2HE LYS 110 -10.111 -0.792 3.217 900 2HE LYS 110 1HE LYS 110 -9.803 0.943 3.156 901 1HZ LYS 110 1HZ LYS 110 -12.196 0.020 1.788 902 2HZ LYS 110 2HZ LYS 110 -11.955 1.397 2.739 903 3HZ LYS 110 3HZ LYS 110 -12.221 -0.101 3.476 904 H VAL 111 H VAL 111 -8.770 0.601 -2.622 905 HA VAL 111 HA VAL 111 -6.704 2.293 -1.593 906 HB VAL 111 HB VAL 111 -9.113 3.132 -3.206 907 1HG1 VAL 111 1HG1 VAL 111 -6.387 4.368 -2.833 908 2HG1 VAL 111 2HG1 VAL 111 -7.919 4.989 -2.218 909 3HG1 VAL 111 3HG1 VAL 111 -7.619 4.946 -3.955 910 1HG2 VAL 111 1HG2 VAL 111 -6.429 2.147 -4.171 911 2HG2 VAL 111 2HG2 VAL 111 -7.698 2.832 -5.187 912 3HG2 VAL 111 3HG2 VAL 111 -7.971 1.308 -4.342 913 H ALA 112 H ALA 112 -6.812 2.975 0.453 914 HA ALA 112 HA ALA 112 -9.219 3.349 1.899 915 1HB ALA 112 1HB ALA 112 -6.648 3.036 2.623 916 2HB ALA 112 2HB ALA 112 -7.888 3.685 3.694 917 3HB ALA 112 3HB ALA 112 -6.811 4.781 2.827 918 H TYR 113 H TYR 113 -8.885 5.760 3.233 919 HA TYR 113 HA TYR 113 -8.894 7.864 1.218 920 1HB TYR 113 2HB TYR 113 -11.307 6.882 2.656 921 2HB TYR 113 1HB TYR 113 -11.139 8.623 2.454 922 HD1 TYR 113 1HD TYR 113 -9.969 8.894 -0.188 923 HD2 TYR 113 2HD TYR 113 -12.939 6.170 1.175 924 HE1 TYR 113 1HE TYR 113 -10.846 8.715 -2.478 925 HE2 TYR 113 2HE TYR 113 -13.825 5.983 -1.111 926 HH TYR 113 HH TYR 113 -12.153 7.223 -3.839 927 H VAL 114 H VAL 114 -7.362 9.122 2.097 928 HA VAL 114 HA VAL 114 -7.267 9.553 4.970 929 HB VAL 114 HB VAL 114 -5.499 10.847 2.903 930 1HG1 VAL 114 1HG1 VAL 114 -4.286 11.628 4.615 931 2HG1 VAL 114 2HG1 VAL 114 -4.412 10.118 5.517 932 3HG1 VAL 114 3HG1 VAL 114 -5.719 11.299 5.589 933 1HG2 VAL 114 1HG2 VAL 114 -3.927 8.898 3.732 934 2HG2 VAL 114 2HG2 VAL 114 -5.039 8.668 2.383 935 3HG2 VAL 114 3HG2 VAL 114 -5.467 8.078 3.989 936 H TYR 115 H TYR 115 -7.166 11.733 2.150 937 HA TYR 115 HA TYR 115 -8.040 13.795 1.782 938 1HB TYR 115 2HB TYR 115 -10.037 12.446 3.464 939 2HB TYR 115 1HB TYR 115 -10.123 14.204 3.511 940 HD1 TYR 115 2HD TYR 115 -9.038 12.246 0.574 941 HD2 TYR 115 1HD TYR 115 -12.202 14.453 2.371 942 HE1 TYR 115 2HE TYR 115 -10.247 12.241 -1.564 943 HE2 TYR 115 1HE TYR 115 -13.421 14.452 0.235 944 HH TYR 115 HH TYR 115 -11.971 13.491 -2.711 945 H LYS 116 H LYS 116 -6.217 14.884 2.517 946 HA LYS 116 HA LYS 116 -6.566 16.860 4.408 947 1HB LYS 116 2HB LYS 116 -4.961 16.038 6.202 948 2HB LYS 116 1HB LYS 116 -6.562 15.314 6.199 949 1HG LYS 116 2HG LYS 116 -5.783 13.279 5.412 950 2HG LYS 116 1HG LYS 116 -4.301 13.985 4.767 951 1HD LYS 116 2HD LYS 116 -4.982 13.691 7.692 952 2HD LYS 116 1HD LYS 116 -3.873 12.660 6.785 953 1HE LYS 116 2HE LYS 116 -2.301 14.077 7.539 954 2HE LYS 116 1HE LYS 116 -2.869 15.120 6.236 955 1HZ LYS 116 1HZ LYS 116 -4.572 15.781 8.161 956 2HZ LYS 116 2HZ LYS 116 -3.098 16.575 7.920 957 3HZ LYS 116 3HZ LYS 116 -3.228 15.377 9.106 958 H GLY 117 H GLY 117 -4.268 14.666 2.897 959 1HA GLY 117 2HA GLY 117 -2.801 16.820 1.748 960 2HA GLY 117 1HA GLY 117 -1.923 16.119 3.099 961 H ASN 118 H ASN 118 -2.725 13.422 2.737 962 HA ASN 118 HA ASN 118 -0.900 12.689 0.637 963 1HB ASN 118 2HB ASN 118 -0.902 11.433 2.730 964 2HB ASN 118 1HB ASN 118 -2.585 10.980 2.479 965 1HD2 ASN 118 1HD2 ASN 118 -2.682 8.917 2.000 966 2HD2 ASN 118 2HD2 ASN 118 -1.653 8.075 0.897 967 H ASN 119 H ASN 119 -2.004 13.474 -1.201 968 HA ASN 119 HA ASN 119 -3.964 11.577 -2.233 969 1HB ASN 119 2HB ASN 119 -4.842 13.980 -1.232 970 2HB ASN 119 1HB ASN 119 -4.626 14.351 -2.939 971 1HD2 ASN 119 1HD2 ASN 119 -5.846 11.630 -1.007 972 2HD2 ASN 119 2HD2 ASN 119 -7.295 11.413 -1.922 973 H THR 120 H THR 120 -1.274 11.759 -2.856 974 HA THR 120 HA THR 120 -1.142 13.181 -5.412 975 HB THR 120 HB THR 120 1.065 11.711 -3.962 976 HG1 THR 120 1HG THR 120 0.963 13.333 -2.648 977 1HG2 THR 120 1HG2 THR 120 1.238 12.359 -6.481 978 2HG2 THR 120 2HG2 THR 120 2.582 12.663 -5.382 979 3HG2 THR 120 3HG2 THR 120 1.500 13.979 -5.836 980 H HIS 121 H HIS 121 -0.735 9.928 -4.057 981 HA HIS 121 HA HIS 121 -0.516 8.795 -6.730 982 1HB HIS 121 2HB HIS 121 -0.293 7.605 -3.967 983 2HB HIS 121 1HB HIS 121 -0.273 6.624 -5.429 984 HD1 HIS 121 1HD HIS 121 1.513 9.931 -4.975 985 HD2 HIS 121 2HD HIS 121 2.362 5.888 -5.427 986 HE1 HIS 121 1HE HIS 121 4.008 9.795 -5.249 987 HE2 HIS 121 2HE HIS 121 4.490 7.348 -5.607 988 H GLU 122 H GLU 122 -3.052 9.937 -5.260 989 HA GLU 122 HA GLU 122 -4.882 7.843 -4.938 990 1HB GLU 122 2HB GLU 122 -4.979 10.493 -4.499 991 2HB GLU 122 1HB GLU 122 -5.900 10.417 -5.995 992 1HG GLU 122 2HG GLU 122 -7.134 8.465 -4.705 993 2HG GLU 122 1HG GLU 122 -6.553 9.364 -3.303 994 H GLN 123 H GLN 123 -3.467 9.080 -7.779 995 HA GLN 123 HA GLN 123 -5.633 8.433 -9.553 996 1HB GLN 123 2HB GLN 123 -4.059 8.957 -11.343 997 2HB GLN 123 1HB GLN 123 -4.041 10.209 -10.110 998 1HG GLN 123 2HG GLN 123 -2.008 9.138 -9.151 999 2HG GLN 123 1HG GLN 123 -1.997 8.044 -10.534 1000 1HE2 GLN 123 1HE2 GLN 123 -1.708 11.389 -9.531 1001 2HE2 GLN 123 2HE2 GLN 123 -0.849 11.933 -10.928 1002 H LEU 124 H LEU 124 -2.463 6.978 -8.824 1003 HA LEU 124 HA LEU 124 -2.843 4.760 -10.560 1004 1HB LEU 124 2HB LEU 124 -0.828 3.897 -9.681 1005 2HB LEU 124 1HB LEU 124 -0.634 5.637 -9.738 1006 HG LEU 124 HG LEU 124 -1.516 5.351 -7.200 1007 1HD1 LEU 124 1HD1 LEU 124 -1.597 2.904 -7.398 1008 2HD1 LEU 124 2HD1 LEU 124 -0.438 3.438 -6.180 1009 3HD1 LEU 124 3HD1 LEU 124 0.129 2.889 -7.757 1010 1HD2 LEU 124 1HD2 LEU 124 0.362 6.604 -7.322 1011 2HD2 LEU 124 2HD2 LEU 124 1.137 5.526 -8.485 1012 3HD2 LEU 124 3HD2 LEU 124 1.117 5.108 -6.771 1013 H LEU 125 H LEU 125 -3.546 5.367 -7.181 1014 HA LEU 125 HA LEU 125 -4.084 2.673 -6.462 1015 1HB LEU 125 2HB LEU 125 -5.200 5.173 -5.195 1016 2HB LEU 125 1HB LEU 125 -5.077 3.586 -4.460 1017 HG LEU 125 HG LEU 125 -2.572 4.915 -5.380 1018 1HD1 LEU 125 1HD1 LEU 125 -2.439 5.937 -3.063 1019 2HD1 LEU 125 2HD1 LEU 125 -4.183 5.693 -2.967 1020 3HD1 LEU 125 3HD1 LEU 125 -3.505 6.734 -4.218 1021 1HD2 LEU 125 1HD2 LEU 125 -2.812 2.551 -4.405 1022 2HD2 LEU 125 2HD2 LEU 125 -3.065 3.366 -2.861 1023 3HD2 LEU 125 3HD2 LEU 125 -1.557 3.599 -3.744 1024 H ARG 126 H ARG 126 -6.168 5.379 -7.442 1025 HA ARG 126 HA ARG 126 -8.608 3.985 -7.223 1026 1HB ARG 126 2HB ARG 126 -8.441 6.444 -7.348 1027 2HB ARG 126 1HB ARG 126 -7.920 6.315 -9.022 1028 1HG ARG 126 2HG ARG 126 -10.096 6.663 -9.444 1029 2HG ARG 126 1HG ARG 126 -10.223 4.929 -9.141 1030 1HD ARG 126 2HD ARG 126 -11.084 5.236 -7.007 1031 2HD ARG 126 1HD ARG 126 -10.453 6.878 -6.883 1032 HE ARG 126 HE ARG 126 -12.346 7.653 -7.913 1033 1HH1 ARG 126 1HH1 ARG 126 -12.161 4.195 -8.333 1034 2HH1 ARG 126 2HH1 ARG 126 -13.753 4.065 -9.000 1035 1HH2 ARG 126 1HH2 ARG 126 -14.441 7.485 -8.790 1036 2HH2 ARG 126 2HH2 ARG 126 -15.048 5.933 -9.262 1037 H LYS 127 H LYS 127 -6.206 4.165 -9.751 1038 HA LYS 127 HA LYS 127 -7.808 3.098 -11.838 1039 1HB LYS 127 2HB LYS 127 -5.009 3.821 -11.434 1040 2HB LYS 127 1HB LYS 127 -5.199 2.401 -12.452 1041 1HG LYS 127 2HG LYS 127 -5.124 4.319 -13.858 1042 2HG LYS 127 1HG LYS 127 -6.777 3.702 -13.867 1043 1HD LYS 127 2HD LYS 127 -7.015 5.434 -11.861 1044 2HD LYS 127 1HD LYS 127 -5.685 6.214 -12.719 1045 1HE LYS 127 2HE LYS 127 -7.137 5.958 -14.812 1046 2HE LYS 127 1HE LYS 127 -8.461 5.622 -13.697 1047 1HZ LYS 127 1HZ LYS 127 -7.477 7.846 -12.629 1048 2HZ LYS 127 2HZ LYS 127 -8.700 7.844 -13.797 1049 3HZ LYS 127 3HZ LYS 127 -7.096 8.123 -14.254 1050 H SER 128 H SER 128 -5.377 1.619 -9.698 1051 HA SER 128 HA SER 128 -5.681 -1.004 -10.680 1052 1HB SER 128 2HB SER 128 -4.804 -1.470 -8.184 1053 2HB SER 128 1HB SER 128 -3.749 -0.877 -9.466 1054 HG SER 128 HG SER 128 -3.415 0.736 -8.169 1055 H GLU 129 H GLU 129 -7.426 0.835 -8.276 1056 HA GLU 129 HA GLU 129 -8.783 -1.375 -7.099 1057 1HB GLU 129 2HB GLU 129 -8.443 1.121 -6.282 1058 2HB GLU 129 1HB GLU 129 -9.979 1.360 -7.102 1059 1HG GLU 129 2HG GLU 129 -10.608 -0.798 -5.672 1060 2HG GLU 129 1HG GLU 129 -9.356 -0.127 -4.627 1061 H ALA 130 H ALA 130 -9.920 1.179 -9.318 1062 HA ALA 130 HA ALA 130 -12.442 0.124 -9.822 1063 1HB ALA 130 1HB ALA 130 -11.112 1.465 -12.087 1064 2HB ALA 130 2HB ALA 130 -11.172 2.367 -10.573 1065 3HB ALA 130 3HB ALA 130 -12.665 1.798 -11.322 1066 H GLN 131 H GLN 131 -9.334 -0.759 -11.135 1067 HA GLN 131 HA GLN 131 -10.342 -2.256 -13.346 1068 1HB GLN 131 2HB GLN 131 -7.696 -1.897 -12.030 1069 2HB GLN 131 1HB GLN 131 -7.917 -3.317 -13.045 1070 1HG GLN 131 2HG GLN 131 -8.357 -0.469 -13.914 1071 2HG GLN 131 1HG GLN 131 -6.923 -1.436 -14.258 1072 1HE2 GLN 131 1HE2 GLN 131 -7.789 -3.787 -15.044 1073 2HE2 GLN 131 2HE2 GLN 131 -8.817 -3.673 -16.429 1074 H ALA 132 H ALA 132 -9.178 -3.118 -10.106 1075 HA ALA 132 HA ALA 132 -9.681 -5.917 -10.472 1076 1HB ALA 132 1HB ALA 132 -9.138 -6.102 -8.083 1077 2HB ALA 132 2HB ALA 132 -9.116 -4.343 -7.961 1078 3HB ALA 132 3HB ALA 132 -7.927 -5.170 -8.967 1079 H LYS 133 H LYS 133 -11.432 -3.202 -9.108 1080 HA LYS 133 HA LYS 133 -13.423 -4.690 -7.765 1081 1HB LYS 133 2HB LYS 133 -12.765 -2.096 -7.765 1082 2HB LYS 133 1HB LYS 133 -14.119 -2.031 -8.884 1083 1HG LYS 133 2HG LYS 133 -14.222 -3.184 -6.103 1084 2HG LYS 133 1HG LYS 133 -14.780 -1.574 -6.564 1085 1HD LYS 133 2HD LYS 133 -16.771 -2.522 -6.925 1086 2HD LYS 133 1HD LYS 133 -16.049 -3.231 -8.372 1087 1HE LYS 133 2HE LYS 133 -15.730 -5.284 -7.368 1088 2HE LYS 133 1HE LYS 133 -15.717 -4.602 -5.741 1089 1HZ LYS 133 1HZ LYS 133 -18.097 -4.210 -5.931 1090 2HZ LYS 133 2HZ LYS 133 -17.738 -5.847 -6.152 1091 3HZ LYS 133 3HZ LYS 133 -18.105 -4.877 -7.487 1092 H LYS 134 H LYS 134 -13.438 -3.100 -10.953 1093 HA LYS 134 HA LYS 134 -16.025 -4.031 -11.659 1094 1HB LYS 134 2HB LYS 134 -13.740 -2.807 -13.161 1095 2HB LYS 134 1HB LYS 134 -15.085 -3.506 -14.052 1096 1HG LYS 134 2HG LYS 134 -15.608 -1.240 -13.862 1097 2HG LYS 134 1HG LYS 134 -16.587 -2.028 -12.621 1098 1HD LYS 134 2HD LYS 134 -14.425 -1.511 -11.157 1099 2HD LYS 134 1HD LYS 134 -14.254 -0.216 -12.343 1100 1HE LYS 134 2HE LYS 134 -16.267 0.779 -11.730 1101 2HE LYS 134 1HE LYS 134 -16.872 -0.692 -10.969 1102 1HZ LYS 134 1HZ LYS 134 -14.727 -0.206 -9.473 1103 2HZ LYS 134 2HZ LYS 134 -16.270 0.383 -9.105 1104 3HZ LYS 134 3HZ LYS 134 -15.149 1.379 -9.890 1105 H GLU 135 H GLU 135 -12.800 -5.301 -11.996 1106 HA GLU 135 HA GLU 135 -13.614 -7.452 -13.749 1107 1HB GLU 135 2HB GLU 135 -11.016 -6.793 -12.367 1108 2HB GLU 135 1HB GLU 135 -11.237 -8.246 -13.332 1109 1HG GLU 135 2HG GLU 135 -11.757 -6.872 -15.283 1110 2HG GLU 135 1HG GLU 135 -11.530 -5.416 -14.315 1111 H LYS 136 H LYS 136 -13.425 -6.913 -10.352 1112 HA LYS 136 HA LYS 136 -13.848 -8.233 -8.548 1113 1HB LYS 136 2HB LYS 136 -15.144 -9.869 -10.724 1114 2HB LYS 136 1HB LYS 136 -15.186 -10.359 -9.036 1115 1HG LYS 136 2HG LYS 136 -16.073 -7.609 -9.731 1116 2HG LYS 136 1HG LYS 136 -17.135 -8.964 -10.113 1117 1HD LYS 136 2HD LYS 136 -17.014 -9.695 -7.765 1118 2HD LYS 136 1HD LYS 136 -15.998 -8.301 -7.398 1119 1HE LYS 136 2HE LYS 136 -17.774 -6.786 -7.950 1120 2HE LYS 136 1HE LYS 136 -18.779 -8.108 -8.543 1121 1HZ LYS 136 1HZ LYS 136 -17.877 -7.794 -5.730 1122 2HZ LYS 136 2HZ LYS 136 -18.920 -8.988 -6.320 1123 3HZ LYS 136 3HZ LYS 136 -19.409 -7.369 -6.308 1124 H LEU 137 H LEU 137 -11.405 -8.404 -8.698 1125 HA LEU 137 HA LEU 137 -10.278 -10.866 -9.613 1126 1HB LEU 137 2HB LEU 137 -9.280 -8.477 -8.140 1127 2HB LEU 137 1HB LEU 137 -8.327 -9.948 -8.081 1128 HG LEU 137 HG LEU 137 -9.203 -8.770 -10.702 1129 1HD1 LEU 137 1HD1 LEU 137 -8.007 -6.950 -10.120 1130 2HD1 LEU 137 2HD1 LEU 137 -6.639 -7.985 -10.526 1131 3HD1 LEU 137 3HD1 LEU 137 -7.134 -7.797 -8.844 1132 1HD2 LEU 137 1HD2 LEU 137 -6.835 -10.479 -9.953 1133 2HD2 LEU 137 2HD2 LEU 137 -7.344 -10.019 -11.578 1134 3HD2 LEU 137 3HD2 LEU 137 -8.350 -11.097 -10.611 1135 H ASN 138 H ASN 138 -9.881 -9.606 -6.318 1136 HA ASN 138 HA ASN 138 -10.784 -12.206 -5.282 1137 1HB ASN 138 2HB ASN 138 -8.173 -10.825 -4.832 1138 2HB ASN 138 1HB ASN 138 -8.873 -11.759 -3.513 1139 1HD2 ASN 138 1HD2 ASN 138 -6.832 -12.962 -3.873 1140 2HD2 ASN 138 2HD2 ASN 138 -6.851 -14.250 -5.024 1141 H ILE 139 H ILE 139 -9.396 -9.363 -3.674 1142 HA ILE 139 HA ILE 139 -11.120 -9.344 -1.516 1143 HB ILE 139 HB ILE 139 -10.507 -6.942 -1.233 1144 1HG1 ILE 139 2HG1 ILE 139 -9.027 -7.405 -3.834 1145 2HG1 ILE 139 1HG1 ILE 139 -10.384 -6.311 -3.594 1146 1HG2 ILE 139 1HG2 ILE 139 -8.899 -8.023 -0.121 1147 2HG2 ILE 139 2HG2 ILE 139 -7.874 -7.669 -1.511 1148 3HG2 ILE 139 3HG2 ILE 139 -8.700 -9.223 -1.398 1149 1HD1 ILE 139 1HD1 ILE 139 -7.722 -6.050 -2.221 1150 2HD1 ILE 139 2HD1 ILE 139 -9.065 -4.910 -2.162 1151 3HD1 ILE 139 3HD1 ILE 139 -8.199 -5.174 -3.675 1152 H TRP 140 H TRP 140 -11.460 -7.649 -4.610 1153 HA TRP 140 HA TRP 140 -13.925 -6.396 -3.820 1154 1HB TRP 140 2HB TRP 140 -12.582 -6.607 -6.521 1155 2HB TRP 140 1HB TRP 140 -14.011 -5.635 -6.181 1156 HD1 TRP 140 HD TRP 140 -10.637 -4.982 -6.819 1157 HE1 TRP 140 1HE TRP 140 -9.716 -2.950 -5.538 1158 HE3 TRP 140 3HE TRP 140 -14.268 -4.560 -3.241 1159 HZ2 TRP 140 2HZ TRP 140 -10.431 -1.376 -3.309 1160 HZ3 TRP 140 3HZ TRP 140 -14.072 -2.763 -1.572 1161 HH2 TRP 140 HH TRP 140 -12.194 -1.205 -1.606 1162 H SER 141 H SER 141 -13.075 -9.462 -5.011 1163 HA SER 141 HA SER 141 -15.677 -9.927 -6.244 1164 1HB SER 141 2HB SER 141 -14.641 -12.270 -6.605 1165 2HB SER 141 1HB SER 141 -13.978 -10.919 -7.526 1166 HG SER 141 HG SER 141 -12.907 -11.924 -5.096 1167 H GLU 142 H GLU 142 -15.224 -9.493 -3.307 1168 HA GLU 142 HA GLU 142 -17.072 -11.407 -2.366 1169 1HB GLU 142 2HB GLU 142 -15.184 -12.903 -2.313 1170 2HB GLU 142 1HB GLU 142 -14.193 -11.700 -1.497 1171 1HG GLU 142 2HG GLU 142 -14.876 -12.403 0.473 1172 2HG GLU 142 1HG GLU 142 -16.559 -12.161 0.016 1173 H ASP 143 H ASP 143 -17.288 -8.772 -2.373 1174 HA ASP 143 HA ASP 143 -16.751 -7.939 0.402 1175 1HB ASP 143 2HB ASP 143 -15.808 -6.684 -1.806 1176 2HB ASP 143 1HB ASP 143 -17.343 -5.846 -1.605 1177 H ASN 144 H ASN 144 -18.993 -7.306 -2.302 1178 HA ASN 144 HA ASN 144 -21.072 -6.384 -0.576 1179 1HB ASN 144 2HB ASN 144 -21.005 -7.138 -3.496 1180 2HB ASN 144 1HB ASN 144 -22.475 -6.597 -2.693 1181 1HD2 ASN 144 1HD2 ASN 144 -20.336 -5.540 -4.734 1182 2HD2 ASN 144 2HD2 ASN 144 -20.165 -3.890 -4.253 1183 H ALA 145 H ALA 145 -23.238 -7.391 -0.490 1184 HA ALA 145 HA ALA 145 -23.031 -10.329 -0.358 1185 1HB ALA 145 1HB ALA 145 -24.670 -10.238 1.480 1186 2HB ALA 145 2HB ALA 145 -24.630 -8.477 1.406 1187 3HB ALA 145 3HB ALA 145 -23.181 -9.373 1.861 1188 H ASP 146 H ASP 146 -23.858 -10.698 -2.419 1189 HA ASP 146 HA ASP 146 -26.308 -9.517 -3.309 1190 1HB ASP 146 2HB ASP 146 -24.398 -11.544 -4.358 1191 2HB ASP 146 1HB ASP 146 -26.038 -11.572 -4.997 1192 H SER 147 H SER 147 -28.184 -10.884 -3.992 1193 HA SER 147 HA SER 147 -29.008 -12.522 -1.747 1194 1HB SER 147 2HB SER 147 -31.212 -12.291 -2.557 1195 2HB SER 147 1HB SER 147 -30.450 -10.744 -2.924 1196 HG SER 147 HG SER 147 -30.114 -11.517 -5.059 1197 H GLY 148 H GLY 148 -29.924 -14.640 -1.984 1198 1HA GLY 148 2HA GLY 148 -29.365 -16.070 -4.463 1199 2HA GLY 148 1HA GLY 148 -28.464 -16.589 -3.046 1200 H GLN 149 H GLN 149 -30.006 -16.867 -1.045 1201 HA GLN 149 HA GLN 149 -31.770 -18.991 -1.707 1202 1HB GLN 149 2HB GLN 149 -30.438 -18.705 0.443 1203 2HB GLN 149 1HB GLN 149 -31.662 -17.543 0.937 1204 1HG GLN 149 2HG GLN 149 -33.160 -19.133 1.422 1205 2HG GLN 149 1HG GLN 149 -32.727 -20.112 0.022 1206 1HE2 GLN 149 1HE2 GLN 149 -31.688 -19.205 3.266 1207 2HE2 GLN 149 2HE2 GLN 149 -30.855 -20.680 3.608 Start of MODEL 13 1 1H ALA 1 1HT ALA 1 2.142 17.965 -15.660 2 2H ALA 1 2HT ALA 1 1.968 18.696 -14.118 3 3H ALA 1 3HT ALA 1 0.743 18.887 -15.304 4 HA ALA 1 HA ALA 1 0.256 17.291 -13.515 5 1HB ALA 1 1HB ALA 1 0.127 16.790 -16.432 6 2HB ALA 1 2HB ALA 1 -1.171 16.978 -15.253 7 3HB ALA 1 3HB ALA 1 -0.291 15.453 -15.361 8 H THR 2 H THR 2 2.475 15.948 -15.970 9 HA THR 2 HA THR 2 3.172 13.739 -14.267 10 HB THR 2 HB THR 2 4.889 13.328 -16.133 11 HG1 THR 2 1HG THR 2 5.013 15.317 -17.071 12 1HG2 THR 2 1HG2 THR 2 2.366 12.504 -15.953 13 2HG2 THR 2 2HG2 THR 2 3.399 12.136 -17.333 14 3HG2 THR 2 3HG2 THR 2 2.241 13.463 -17.428 15 H SER 3 H SER 3 4.803 13.606 -12.865 16 HA SER 3 HA SER 3 6.740 15.822 -12.797 17 1HB SER 3 2HB SER 3 5.171 15.384 -10.802 18 2HB SER 3 1HB SER 3 6.168 13.961 -10.496 19 HG SER 3 HG SER 3 6.652 16.351 -9.661 20 H THR 4 H THR 4 8.856 15.097 -11.639 21 HA THR 4 HA THR 4 9.709 12.529 -12.809 22 HB THR 4 HB THR 4 12.008 13.669 -12.929 23 HG1 THR 4 1HG THR 4 11.839 15.535 -11.899 24 1HG2 THR 4 1HG2 THR 4 9.847 13.712 -14.758 25 2HG2 THR 4 2HG2 THR 4 11.579 13.739 -15.089 26 3HG2 THR 4 3HG2 THR 4 10.699 15.252 -14.867 27 H LYS 5 H LYS 5 10.428 14.917 -10.274 28 HA LYS 5 HA LYS 5 11.354 12.692 -8.577 29 1HB LYS 5 2HB LYS 5 12.477 15.436 -8.978 30 2HB LYS 5 1HB LYS 5 12.669 14.650 -7.417 31 1HG LYS 5 2HG LYS 5 13.710 12.718 -8.597 32 2HG LYS 5 1HG LYS 5 13.654 13.667 -10.085 33 1HD LYS 5 2HD LYS 5 15.758 14.207 -9.398 34 2HD LYS 5 1HD LYS 5 14.858 15.455 -8.532 35 1HE LYS 5 2HE LYS 5 16.020 14.674 -6.763 36 2HE LYS 5 1HE LYS 5 14.739 13.463 -6.731 37 1HZ LYS 5 1HZ LYS 5 16.484 12.064 -6.766 38 2HZ LYS 5 2HZ LYS 5 17.534 13.187 -7.472 39 3HZ LYS 5 3HZ LYS 5 16.436 12.336 -8.435 40 H LYS 6 H LYS 6 9.090 12.555 -7.922 41 HA LYS 6 HA LYS 6 8.271 14.719 -6.104 42 1HB LYS 6 2HB LYS 6 6.792 12.852 -7.860 43 2HB LYS 6 1HB LYS 6 6.057 13.174 -6.296 44 1HG LYS 6 2HG LYS 6 6.994 15.496 -7.886 45 2HG LYS 6 1HG LYS 6 5.541 14.652 -8.424 46 1HD LYS 6 2HD LYS 6 5.937 15.638 -5.605 47 2HD LYS 6 1HD LYS 6 5.157 16.595 -6.865 48 1HE LYS 6 2HE LYS 6 4.259 13.913 -5.820 49 2HE LYS 6 1HE LYS 6 3.482 15.470 -5.529 50 1HZ LYS 6 1HZ LYS 6 3.432 15.486 -8.143 51 2HZ LYS 6 2HZ LYS 6 2.224 14.715 -7.245 52 3HZ LYS 6 3HZ LYS 6 3.473 13.808 -7.935 53 H LEU 7 H LEU 7 9.910 13.734 -4.620 54 HA LEU 7 HA LEU 7 10.417 12.572 -2.732 55 1HB LEU 7 2HB LEU 7 7.787 13.253 -2.512 56 2HB LEU 7 1HB LEU 7 7.704 11.512 -2.317 57 HG LEU 7 HG LEU 7 7.857 12.648 -0.158 58 1HD1 LEU 7 1HD1 LEU 7 10.123 11.518 0.542 59 2HD1 LEU 7 2HD1 LEU 7 10.031 10.839 -1.083 60 3HD1 LEU 7 3HD1 LEU 7 8.730 10.546 0.070 61 1HD2 LEU 7 1HD2 LEU 7 9.332 14.514 -1.257 62 2HD2 LEU 7 2HD2 LEU 7 10.660 13.476 -0.739 63 3HD2 LEU 7 3HD2 LEU 7 9.521 14.108 0.449 64 H HIS 8 H HIS 8 11.679 10.983 -3.672 65 HA HIS 8 HA HIS 8 10.537 8.623 -4.834 66 1HB HIS 8 2HB HIS 8 12.878 7.825 -4.932 67 2HB HIS 8 1HB HIS 8 12.692 9.435 -5.618 68 HD1 HIS 8 1HD HIS 8 13.749 11.413 -4.301 69 HD2 HIS 8 2HD HIS 8 14.483 7.667 -2.660 70 HE1 HIS 8 1HE HIS 8 15.589 11.762 -2.623 71 HE2 HIS 8 2HE HIS 8 16.071 9.469 -1.701 72 H LYS 9 H LYS 9 11.249 6.421 -4.025 73 HA LYS 9 HA LYS 9 10.376 6.153 -1.295 74 1HB LYS 9 2HB LYS 9 10.687 3.693 -1.755 75 2HB LYS 9 1HB LYS 9 9.555 4.520 -2.817 76 1HG LYS 9 2HG LYS 9 12.290 4.483 -3.832 77 2HG LYS 9 1HG LYS 9 11.585 2.880 -3.621 78 1HD LYS 9 2HD LYS 9 9.782 3.376 -5.067 79 2HD LYS 9 1HD LYS 9 10.143 5.104 -5.044 80 1HE LYS 9 2HE LYS 9 10.866 4.167 -7.144 81 2HE LYS 9 1HE LYS 9 12.278 4.635 -6.198 82 1HZ LYS 9 1HZ LYS 9 12.897 2.566 -6.878 83 2HZ LYS 9 2HZ LYS 9 11.318 1.960 -6.908 84 3HZ LYS 9 3HZ LYS 9 12.123 2.149 -5.432 85 H GLU 10 H GLU 10 11.536 5.123 0.388 86 HA GLU 10 HA GLU 10 14.211 4.297 0.227 87 1HB GLU 10 2HB GLU 10 14.151 6.972 -0.060 88 2HB GLU 10 1HB GLU 10 14.188 6.873 1.695 89 1HG GLU 10 2HG GLU 10 16.185 5.308 1.380 90 2HG GLU 10 1HG GLU 10 16.222 5.903 -0.279 91 H ALA 11 H ALA 11 14.550 3.030 1.946 92 HA ALA 11 HA ALA 11 13.407 3.755 4.524 93 1HB ALA 11 1HB ALA 11 12.771 1.146 3.155 94 2HB ALA 11 2HB ALA 11 11.639 2.429 3.570 95 3HB ALA 11 3HB ALA 11 12.428 1.504 4.846 96 H ALA 12 H ALA 12 14.423 0.469 3.839 97 HA ALA 12 HA ALA 12 17.148 0.603 4.183 98 1HB ALA 12 1HB ALA 12 15.932 1.476 6.541 99 2HB ALA 12 2HB ALA 12 17.625 1.049 6.306 100 3HB ALA 12 3HB ALA 12 16.481 -0.164 6.879 101 H THR 13 H THR 13 14.904 -1.248 6.251 102 HA THR 13 HA THR 13 15.021 -3.556 4.547 103 HB THR 13 HB THR 13 16.569 -3.572 7.143 104 HG1 THR 13 1HG THR 13 17.867 -2.828 5.551 105 1HG2 THR 13 1HG2 THR 13 15.469 -5.685 7.000 106 2HG2 THR 13 2HG2 THR 13 17.158 -5.901 6.542 107 3HG2 THR 13 3HG2 THR 13 15.908 -5.852 5.300 108 H LEU 14 H LEU 14 13.582 -5.166 5.123 109 HA LEU 14 HA LEU 14 11.477 -4.347 6.930 110 1HB LEU 14 2HB LEU 14 10.797 -5.269 4.842 111 2HB LEU 14 1HB LEU 14 11.837 -6.663 5.037 112 HG LEU 14 HG LEU 14 9.338 -7.024 5.332 113 1HD1 LEU 14 1HD1 LEU 14 11.567 -8.147 6.669 114 2HD1 LEU 14 2HD1 LEU 14 10.040 -8.910 6.228 115 3HD1 LEU 14 3HD1 LEU 14 10.207 -8.115 7.791 116 1HD2 LEU 14 1HD2 LEU 14 9.588 -4.920 7.121 117 2HD2 LEU 14 2HD2 LEU 14 9.396 -6.346 8.140 118 3HD2 LEU 14 3HD2 LEU 14 8.188 -5.971 6.912 119 H ILE 15 H ILE 15 10.927 -5.288 8.855 120 HA ILE 15 HA ILE 15 12.881 -7.166 9.982 121 HB ILE 15 HB ILE 15 10.851 -5.391 11.347 122 1HG1 ILE 15 2HG1 ILE 15 13.252 -4.693 12.361 123 2HG1 ILE 15 1HG1 ILE 15 13.750 -5.209 10.753 124 1HG2 ILE 15 1HG2 ILE 15 10.925 -7.203 12.782 125 2HG2 ILE 15 2HG2 ILE 15 12.208 -6.175 13.419 126 3HG2 ILE 15 3HG2 ILE 15 12.611 -7.564 12.409 127 1HD1 ILE 15 1HD1 ILE 15 13.093 -2.727 11.236 128 2HD1 ILE 15 2HD1 ILE 15 11.455 -3.341 11.005 129 3HD1 ILE 15 3HD1 ILE 15 12.648 -3.506 9.717 130 H LYS 16 H LYS 16 9.351 -6.601 10.081 131 HA LYS 16 HA LYS 16 8.697 -9.264 9.423 132 1HB LYS 16 2HB LYS 16 9.414 -8.873 12.143 133 2HB LYS 16 1HB LYS 16 7.676 -9.133 12.091 134 1HG LYS 16 2HG LYS 16 9.786 -10.950 10.945 135 2HG LYS 16 1HG LYS 16 8.838 -11.229 12.408 136 1HD LYS 16 2HD LYS 16 7.421 -10.749 9.826 137 2HD LYS 16 1HD LYS 16 8.144 -12.330 10.129 138 1HE LYS 16 2HE LYS 16 6.569 -11.249 12.358 139 2HE LYS 16 1HE LYS 16 5.641 -11.588 10.898 140 1HZ LYS 16 1HZ LYS 16 7.504 -13.583 12.027 141 2HZ LYS 16 2HZ LYS 16 6.209 -13.829 10.968 142 3HZ LYS 16 3HZ LYS 16 5.913 -13.451 12.590 143 H ALA 17 H ALA 17 6.794 -9.087 8.457 144 HA ALA 17 HA ALA 17 5.138 -6.784 8.803 145 1HB ALA 17 1HB ALA 17 4.648 -9.324 7.251 146 2HB ALA 17 2HB ALA 17 5.359 -7.837 6.626 147 3HB ALA 17 3HB ALA 17 3.674 -7.857 7.147 148 H ILE 18 H ILE 18 2.939 -6.754 9.480 149 HA ILE 18 HA ILE 18 2.291 -8.866 11.433 150 HB ILE 18 HB ILE 18 1.306 -6.011 11.466 151 1HG1 ILE 18 2HG1 ILE 18 3.153 -6.942 13.573 152 2HG1 ILE 18 1HG1 ILE 18 3.876 -6.748 11.979 153 1HG2 ILE 18 1HG2 ILE 18 0.840 -6.722 13.905 154 2HG2 ILE 18 2HG2 ILE 18 0.961 -8.367 13.279 155 3HG2 ILE 18 3HG2 ILE 18 -0.256 -7.266 12.635 156 1HD1 ILE 18 1HD1 ILE 18 4.141 -4.615 12.522 157 2HD1 ILE 18 2HD1 ILE 18 3.056 -4.750 13.906 158 3HD1 ILE 18 3HD1 ILE 18 2.401 -4.445 12.297 159 H ASP 19 H ASP 19 1.190 -6.958 8.751 160 HA ASP 19 HA ASP 19 -0.998 -8.781 8.294 161 1HB ASP 19 2HB ASP 19 -1.598 -6.575 9.787 162 2HB ASP 19 1HB ASP 19 -1.896 -5.972 8.158 163 H GLY 20 H GLY 20 -2.290 -6.905 6.435 164 1HA GLY 20 2HA GLY 20 -0.418 -7.248 4.233 165 2HA GLY 20 1HA GLY 20 -2.118 -6.828 4.097 166 H ASP 21 H ASP 21 -2.033 -4.646 5.965 167 HA ASP 21 HA ASP 21 -0.537 -2.696 4.343 168 1HB ASP 21 2HB ASP 21 -2.216 -1.041 5.294 169 2HB ASP 21 1HB ASP 21 -2.853 -2.219 4.152 170 H THR 22 H THR 22 -0.287 -4.289 7.185 171 HA THR 22 HA THR 22 1.100 -2.025 8.457 172 HB THR 22 HB THR 22 -0.049 -4.183 10.164 173 HG1 THR 22 1HG THR 22 -1.804 -3.611 8.867 174 1HG2 THR 22 1HG2 THR 22 -0.355 -2.416 11.762 175 2HG2 THR 22 2HG2 THR 22 0.116 -1.207 10.567 176 3HG2 THR 22 3HG2 THR 22 1.299 -2.377 11.151 177 H VAL 23 H VAL 23 3.197 -2.480 8.135 178 HA VAL 23 HA VAL 23 4.162 -5.107 9.030 179 HB VAL 23 HB VAL 23 5.816 -5.144 7.204 180 1HG1 VAL 23 1HG1 VAL 23 3.229 -5.935 7.107 181 2HG1 VAL 23 2HG1 VAL 23 4.420 -6.276 5.851 182 3HG1 VAL 23 3HG1 VAL 23 3.318 -4.910 5.675 183 1HG2 VAL 23 1HG2 VAL 23 4.255 -2.922 5.913 184 2HG2 VAL 23 2HG2 VAL 23 5.789 -3.625 5.401 185 3HG2 VAL 23 3HG2 VAL 23 5.717 -2.633 6.856 186 H LYS 24 H LYS 24 6.276 -5.140 9.875 187 HA LYS 24 HA LYS 24 7.128 -2.564 10.930 188 1HB LYS 24 2HB LYS 24 7.046 -5.147 11.979 189 2HB LYS 24 1HB LYS 24 8.757 -4.836 11.724 190 1HG LYS 24 2HG LYS 24 8.066 -2.532 12.898 191 2HG LYS 24 1HG LYS 24 6.864 -3.602 13.619 192 1HD LYS 24 2HD LYS 24 8.477 -4.927 14.643 193 2HD LYS 24 1HD LYS 24 9.750 -4.396 13.544 194 1HE LYS 24 2HE LYS 24 10.230 -2.577 14.780 195 2HE LYS 24 1HE LYS 24 8.537 -2.259 15.149 196 1HZ LYS 24 1HZ LYS 24 8.944 -4.463 16.577 197 2HZ LYS 24 2HZ LYS 24 9.179 -2.905 17.192 198 3HZ LYS 24 3HZ LYS 24 10.500 -3.801 16.633 199 H LEU 25 H LEU 25 8.391 -1.427 9.611 200 HA LEU 25 HA LEU 25 10.536 -2.817 8.155 201 1HB LEU 25 2HB LEU 25 8.609 -1.142 7.172 202 2HB LEU 25 1HB LEU 25 9.944 -0.034 7.423 203 HG LEU 25 HG LEU 25 10.504 -2.576 5.976 204 1HD1 LEU 25 1HD1 LEU 25 9.892 -0.937 3.916 205 2HD1 LEU 25 2HD1 LEU 25 8.631 -0.500 5.070 206 3HD1 LEU 25 3HD1 LEU 25 8.812 -2.176 4.553 207 1HD2 LEU 25 1HD2 LEU 25 11.604 0.165 6.194 208 2HD2 LEU 25 2HD2 LEU 25 11.765 -0.645 4.636 209 3HD2 LEU 25 3HD2 LEU 25 12.433 -1.387 6.088 210 H MET 26 H MET 26 12.626 -2.023 8.220 211 HA MET 26 HA MET 26 13.248 -0.445 10.584 212 1HB MET 26 2HB MET 26 14.430 -2.662 9.467 213 2HB MET 26 1HB MET 26 15.493 -1.367 8.937 214 1HG MET 26 2HG MET 26 16.041 -0.762 11.124 215 2HG MET 26 1HG MET 26 14.675 -1.644 11.804 216 1HE MET 26 1HE MET 26 17.637 -3.524 13.336 217 2HE MET 26 2HE MET 26 16.664 -2.055 13.429 218 3HE MET 26 3HE MET 26 18.204 -2.039 12.571 219 H TYR 27 H TYR 27 13.580 1.658 10.467 220 HA TYR 27 HA TYR 27 14.593 2.792 7.945 221 1HB TYR 27 2HB TYR 27 12.241 3.390 8.256 222 2HB TYR 27 1HB TYR 27 12.598 4.022 9.859 223 HD1 TYR 27 1HD TYR 27 12.977 4.594 6.250 224 HD2 TYR 27 2HD TYR 27 13.628 6.179 10.143 225 HE1 TYR 27 1HE TYR 27 13.432 6.803 5.268 226 HE2 TYR 27 2HE TYR 27 14.085 8.392 9.173 227 HH TYR 27 HH TYR 27 13.250 9.298 6.183 228 H LYS 28 H LYS 28 16.174 4.321 8.073 229 HA LYS 28 HA LYS 28 18.098 5.200 8.921 230 1HB LYS 28 2HB LYS 28 17.738 7.036 10.314 231 2HB LYS 28 1HB LYS 28 16.197 6.821 9.501 232 1HG LYS 28 2HG LYS 28 15.171 6.702 11.455 233 2HG LYS 28 1HG LYS 28 16.143 5.301 11.899 234 1HD LYS 28 2HD LYS 28 17.964 7.081 12.444 235 2HD LYS 28 1HD LYS 28 16.590 8.187 12.515 236 1HE LYS 28 2HE LYS 28 15.742 7.232 14.397 237 2HE LYS 28 1HE LYS 28 16.337 5.625 13.979 238 1HZ LYS 28 1HZ LYS 28 18.346 7.640 14.600 239 2HZ LYS 28 2HZ LYS 28 18.308 5.995 14.989 240 3HZ LYS 28 3HZ LYS 28 17.402 7.099 15.896 241 H GLY 29 H GLY 29 17.464 2.494 9.912 242 1HA GLY 29 2HA GLY 29 18.810 1.093 11.212 243 2HA GLY 29 1HA GLY 29 19.392 2.498 12.087 244 H GLN 30 H GLN 30 15.967 2.202 11.765 245 HA GLN 30 HA GLN 30 15.772 0.929 14.398 246 1HB GLN 30 2HB GLN 30 14.233 2.599 15.223 247 2HB GLN 30 1HB GLN 30 15.733 3.377 14.739 248 1HG GLN 30 2HG GLN 30 14.768 4.449 12.966 249 2HG GLN 30 1HG GLN 30 13.501 3.241 12.780 250 1HE2 GLN 30 1HE2 GLN 30 14.102 6.322 13.698 251 2HE2 GLN 30 2HE2 GLN 30 12.745 6.594 14.732 252 H ALA 31 H ALA 31 14.089 -0.433 14.640 253 HA ALA 31 HA ALA 31 12.509 -1.033 12.295 254 1HB ALA 31 1HB ALA 31 12.224 -2.394 14.951 255 2HB ALA 31 2HB ALA 31 13.596 -2.725 13.894 256 3HB ALA 31 3HB ALA 31 11.955 -3.045 13.334 257 H MET 32 H MET 32 10.833 0.287 11.926 258 HA MET 32 HA MET 32 9.006 0.847 14.171 259 1HB MET 32 2HB MET 32 8.396 2.930 13.084 260 2HB MET 32 1HB MET 32 10.136 2.874 13.332 261 1HG MET 32 2HG MET 32 10.379 2.145 10.964 262 2HG MET 32 1HG MET 32 8.650 2.417 10.759 263 1HE MET 32 1HE MET 32 8.039 6.011 11.040 264 2HE MET 32 2HE MET 32 7.470 4.343 10.989 265 3HE MET 32 3HE MET 32 8.068 5.115 9.521 266 H THR 33 H THR 33 6.752 0.883 13.702 267 HA THR 33 HA THR 33 5.989 -1.110 11.771 268 HB THR 33 HB THR 33 4.078 0.552 13.394 269 HG1 THR 33 1HG THR 33 5.527 -0.148 14.901 270 1HG2 THR 33 1HG2 THR 33 2.735 -0.849 12.236 271 2HG2 THR 33 2HG2 THR 33 3.139 -1.919 13.580 272 3HG2 THR 33 3HG2 THR 33 3.987 -2.075 12.042 273 H PHE 34 H PHE 34 5.752 -0.608 9.701 274 HA PHE 34 HA PHE 34 4.892 2.082 8.947 275 1HB PHE 34 2HB PHE 34 6.298 -0.152 7.551 276 2HB PHE 34 1HB PHE 34 5.384 0.999 6.581 277 HD1 PHE 34 2HD PHE 34 8.231 0.587 8.863 278 HD2 PHE 34 1HD PHE 34 6.144 3.235 6.266 279 HE1 PHE 34 2HE PHE 34 10.132 2.146 8.932 280 HE2 PHE 34 1HE PHE 34 8.041 4.800 6.331 281 HZ PHE 34 HZ PHE 34 10.038 4.258 7.666 282 H ARG 35 H ARG 35 3.154 2.448 7.519 283 HA ARG 35 HA ARG 35 1.301 0.202 7.165 284 1HB ARG 35 2HB ARG 35 0.915 2.541 8.814 285 2HB ARG 35 1HB ARG 35 -0.296 2.483 7.541 286 1HG ARG 35 2HG ARG 35 0.152 -0.065 8.919 287 2HG ARG 35 1HG ARG 35 -0.498 1.226 9.931 288 1HD ARG 35 2HD ARG 35 -1.665 0.487 7.257 289 2HD ARG 35 1HD ARG 35 -2.197 -0.245 8.771 290 HE ARG 35 HE ARG 35 -2.251 2.630 8.788 291 1HH1 ARG 35 1HH1 ARG 35 -4.027 -0.264 7.977 292 2HH1 ARG 35 2HH1 ARG 35 -5.575 0.506 8.087 293 1HH2 ARG 35 1HH2 ARG 35 -4.286 3.643 8.932 294 2HH2 ARG 35 2HH2 ARG 35 -5.722 2.724 8.629 295 H LEU 36 H LEU 36 0.475 0.041 5.156 296 HA LEU 36 HA LEU 36 1.412 1.637 3.058 297 1HB LEU 36 2HB LEU 36 -0.788 -0.370 3.323 298 2HB LEU 36 1HB LEU 36 -0.667 0.579 1.854 299 HG LEU 36 HG LEU 36 1.562 -1.138 2.945 300 1HD1 LEU 36 1HD1 LEU 36 0.201 -2.806 2.266 301 2HD1 LEU 36 2HD1 LEU 36 0.818 -2.358 0.674 302 3HD1 LEU 36 3HD1 LEU 36 -0.748 -1.754 1.215 303 1HD2 LEU 36 1HD2 LEU 36 1.206 0.217 0.273 304 2HD2 LEU 36 2HD2 LEU 36 2.561 -0.807 0.750 305 3HD2 LEU 36 3HD2 LEU 36 2.298 0.739 1.556 306 H LEU 37 H LEU 37 0.912 3.632 2.495 307 HA LEU 37 HA LEU 37 -1.303 5.016 3.664 308 1HB LEU 37 2HB LEU 37 1.060 5.877 2.947 309 2HB LEU 37 1HB LEU 37 0.297 6.100 1.384 310 HG LEU 37 HG LEU 37 -1.064 7.258 3.763 311 1HD1 LEU 37 1HD1 LEU 37 0.868 9.070 2.548 312 2HD1 LEU 37 2HD1 LEU 37 1.616 7.744 3.439 313 3HD1 LEU 37 3HD1 LEU 37 0.466 8.810 4.246 314 1HD2 LEU 37 1HD2 LEU 37 -1.756 7.265 1.233 315 2HD2 LEU 37 2HD2 LEU 37 -0.615 8.607 1.144 316 3HD2 LEU 37 3HD2 LEU 37 -1.996 8.695 2.237 317 H LEU 38 H LEU 38 -3.221 5.573 2.798 318 HA LEU 38 HA LEU 38 -5.030 5.548 1.428 319 1HB LEU 38 2HB LEU 38 -2.761 5.946 -0.467 320 2HB LEU 38 1HB LEU 38 -4.363 5.656 -1.117 321 HG LEU 38 HG LEU 38 -3.543 7.933 0.684 322 1HD1 LEU 38 1HD1 LEU 38 -4.691 8.174 -2.064 323 2HD1 LEU 38 2HD1 LEU 38 -2.967 7.876 -1.841 324 3HD1 LEU 38 3HD1 LEU 38 -3.707 9.322 -1.156 325 1HD2 LEU 38 1HD2 LEU 38 -6.204 6.897 -0.139 326 2HD2 LEU 38 2HD2 LEU 38 -5.975 8.643 -0.059 327 3HD2 LEU 38 3HD2 LEU 38 -5.700 7.650 1.374 328 H VAL 39 H VAL 39 -3.897 3.008 2.271 329 HA VAL 39 HA VAL 39 -5.180 1.327 0.249 330 HB VAL 39 HB VAL 39 -2.549 0.518 1.476 331 1HG1 VAL 39 1HG1 VAL 39 -4.513 -0.723 -0.343 332 2HG1 VAL 39 2HG1 VAL 39 -3.416 -1.464 0.823 333 3HG1 VAL 39 3HG1 VAL 39 -2.813 -0.953 -0.754 334 1HG2 VAL 39 1HG2 VAL 39 -1.673 2.079 0.099 335 2HG2 VAL 39 2HG2 VAL 39 -3.114 2.152 -0.913 336 3HG2 VAL 39 3HG2 VAL 39 -1.952 0.844 -1.128 337 H ASP 40 H ASP 40 -5.962 -0.675 1.052 338 HA ASP 40 HA ASP 40 -5.877 -1.027 3.960 339 1HB ASP 40 2HB ASP 40 -8.127 -0.044 2.548 340 2HB ASP 40 1HB ASP 40 -8.503 -1.702 3.006 341 H THR 41 H THR 41 -4.932 -2.946 4.168 342 HA THR 41 HA THR 41 -5.931 -5.171 2.518 343 HB THR 41 HB THR 41 -3.151 -5.297 3.552 344 HG1 THR 41 1HG THR 41 -2.353 -3.966 2.011 345 1HG2 THR 41 1HG2 THR 41 -4.704 -6.644 1.594 346 2HG2 THR 41 2HG2 THR 41 -3.060 -6.984 2.135 347 3HG2 THR 41 3HG2 THR 41 -3.335 -5.868 0.798 348 H ALA 42 H ALA 42 -7.366 -5.106 4.556 349 HA ALA 42 HA ALA 42 -6.833 -7.359 6.108 350 1HB ALA 42 1HB ALA 42 -5.256 -5.354 7.018 351 2HB ALA 42 2HB ALA 42 -5.846 -6.684 8.014 352 3HB ALA 42 3HB ALA 42 -6.688 -5.134 8.024 353 H GLU 43 H GLU 43 -8.659 -8.029 7.136 354 HA GLU 43 HA GLU 43 -10.667 -6.359 8.170 355 1HB GLU 43 2HB GLU 43 -10.948 -5.889 5.710 356 2HB GLU 43 1HB GLU 43 -11.402 -7.576 5.504 357 1HG GLU 43 2HG GLU 43 -13.424 -7.305 6.522 358 2HG GLU 43 1HG GLU 43 -12.864 -5.969 7.527 359 H THR 44 H THR 44 -9.279 -8.702 8.929 360 HA THR 44 HA THR 44 -11.247 -10.852 8.758 361 HB THR 44 HB THR 44 -9.322 -11.939 10.261 362 HG1 THR 44 1HG THR 44 -7.309 -11.098 9.542 363 1HG2 THR 44 1HG2 THR 44 -8.690 -13.110 8.451 364 2HG2 THR 44 2HG2 THR 44 -8.462 -11.668 7.459 365 3HG2 THR 44 3HG2 THR 44 -10.083 -12.309 7.724 366 H LYS 45 H LYS 45 -12.864 -9.840 10.051 367 HA LYS 45 HA LYS 45 -12.342 -10.133 12.921 368 1HB LYS 45 2HB LYS 45 -13.860 -8.089 13.243 369 2HB LYS 45 1HB LYS 45 -12.202 -7.801 12.735 370 1HG LYS 45 2HG LYS 45 -13.776 -8.104 10.399 371 2HG LYS 45 1HG LYS 45 -14.614 -6.989 11.481 372 1HD LYS 45 2HD LYS 45 -11.689 -6.722 10.830 373 2HD LYS 45 1HD LYS 45 -12.950 -5.968 9.852 374 1HE LYS 45 2HE LYS 45 -13.164 -5.507 12.750 375 2HE LYS 45 1HE LYS 45 -11.747 -4.794 11.979 376 1HZ LYS 45 1HZ LYS 45 -14.328 -4.416 10.663 377 2HZ LYS 45 2HZ LYS 45 -13.007 -3.364 10.774 378 3HZ LYS 45 3HZ LYS 45 -14.053 -3.549 12.090 379 H HIS 46 H HIS 46 -13.756 -11.704 10.799 380 HA HIS 46 HA HIS 46 -16.450 -11.704 11.992 381 1HB HIS 46 2HB HIS 46 -15.722 -11.519 9.303 382 2HB HIS 46 1HB HIS 46 -16.240 -13.189 9.504 383 HD1 HIS 46 1HD HIS 46 -17.541 -9.686 10.181 384 HD2 HIS 46 2HD HIS 46 -18.935 -13.528 9.434 385 HE1 HIS 46 1HE HIS 46 -20.037 -9.464 9.960 386 HE2 HIS 46 2HE HIS 46 -20.866 -11.815 9.592 387 H THR 47 H THR 47 -13.632 -13.596 11.225 388 HA THR 47 HA THR 47 -12.946 -15.653 11.912 389 HB THR 47 HB THR 47 -15.315 -16.149 13.624 390 HG1 THR 47 1HG THR 47 -14.552 -14.611 15.151 391 1HG2 THR 47 1HG2 THR 47 -13.061 -16.161 15.189 392 2HG2 THR 47 2HG2 THR 47 -12.480 -16.754 13.634 393 3HG2 THR 47 3HG2 THR 47 -13.819 -17.567 14.443 394 H LYS 48 H LYS 48 -14.504 -15.400 9.581 395 HA LYS 48 HA LYS 48 -16.496 -17.457 9.496 396 1HB LYS 48 2HB LYS 48 -16.116 -15.324 7.969 397 2HB LYS 48 1HB LYS 48 -15.168 -16.460 7.018 398 1HG LYS 48 2HG LYS 48 -17.077 -17.891 6.727 399 2HG LYS 48 1HG LYS 48 -18.041 -16.882 7.808 400 1HD LYS 48 2HD LYS 48 -18.465 -15.367 6.206 401 2HD LYS 48 1HD LYS 48 -16.813 -15.419 5.588 402 1HE LYS 48 2HE LYS 48 -18.399 -17.838 5.082 403 2HE LYS 48 1HE LYS 48 -18.991 -16.386 4.277 404 1HZ LYS 48 1HZ LYS 48 -17.105 -17.952 3.265 405 2HZ LYS 48 2HZ LYS 48 -16.129 -16.860 4.111 406 3HZ LYS 48 3HZ LYS 48 -17.205 -16.296 2.934 407 H LYS 49 H LYS 49 -13.180 -17.152 8.252 408 HA LYS 49 HA LYS 49 -12.453 -19.793 8.790 409 1HB LYS 49 2HB LYS 49 -12.398 -20.721 6.484 410 2HB LYS 49 1HB LYS 49 -14.027 -20.471 7.097 411 1HG LYS 49 2HG LYS 49 -14.402 -19.485 5.132 412 2HG LYS 49 1HG LYS 49 -13.548 -18.108 5.831 413 1HD LYS 49 2HD LYS 49 -12.352 -18.355 3.902 414 2HD LYS 49 1HD LYS 49 -11.435 -19.439 4.950 415 1HE LYS 49 2HE LYS 49 -13.746 -20.526 3.416 416 2HE LYS 49 1HE LYS 49 -12.234 -20.209 2.566 417 1HZ LYS 49 1HZ LYS 49 -12.584 -21.971 4.931 418 2HZ LYS 49 2HZ LYS 49 -11.100 -21.620 4.199 419 3HZ LYS 49 3HZ LYS 49 -12.285 -22.470 3.342 420 H GLY 50 H GLY 50 -12.042 -16.999 6.684 421 1HA GLY 50 2HA GLY 50 -9.767 -15.952 7.127 422 2HA GLY 50 1HA GLY 50 -9.138 -17.522 6.655 423 H VAL 51 H VAL 51 -11.895 -16.672 4.864 424 HA VAL 51 HA VAL 51 -10.369 -15.289 2.798 425 HB VAL 51 HB VAL 51 -11.972 -17.737 2.077 426 1HG1 VAL 51 1HG1 VAL 51 -9.798 -16.819 0.346 427 2HG1 VAL 51 2HG1 VAL 51 -11.112 -15.658 0.536 428 3HG1 VAL 51 3HG1 VAL 51 -11.451 -17.285 -0.054 429 1HG2 VAL 51 1HG2 VAL 51 -9.093 -17.494 2.848 430 2HG2 VAL 51 2HG2 VAL 51 -9.587 -18.683 1.643 431 3HG2 VAL 51 3HG2 VAL 51 -10.265 -18.742 3.270 432 H GLU 52 H GLU 52 -12.537 -14.544 4.592 433 HA GLU 52 HA GLU 52 -15.006 -14.520 3.191 434 1HB GLU 52 2HB GLU 52 -15.564 -12.660 4.834 435 2HB GLU 52 1HB GLU 52 -15.125 -14.214 5.531 436 1HG GLU 52 2HG GLU 52 -13.043 -13.447 6.236 437 2HG GLU 52 1HG GLU 52 -13.084 -12.060 5.150 438 H LYS 53 H LYS 53 -12.210 -12.429 3.218 439 HA LYS 53 HA LYS 53 -13.139 -11.088 0.843 440 1HB LYS 53 2HB LYS 53 -12.852 -8.802 1.828 441 2HB LYS 53 1HB LYS 53 -14.251 -9.682 2.429 442 1HG LYS 53 2HG LYS 53 -11.886 -10.113 4.057 443 2HG LYS 53 1HG LYS 53 -12.342 -8.413 3.951 444 1HD LYS 53 2HD LYS 53 -14.316 -10.588 4.605 445 2HD LYS 53 1HD LYS 53 -13.380 -9.749 5.844 446 1HE LYS 53 2HE LYS 53 -14.295 -7.601 4.696 447 2HE LYS 53 1HE LYS 53 -15.514 -8.690 4.035 448 1HZ LYS 53 1HZ LYS 53 -15.835 -7.468 6.331 449 2HZ LYS 53 2HZ LYS 53 -15.001 -8.821 6.909 450 3HZ LYS 53 3HZ LYS 53 -16.450 -9.021 6.059 451 H TYR 54 H TYR 54 -10.921 -12.784 1.658 452 HA TYR 54 HA TYR 54 -8.686 -12.984 1.303 453 1HB TYR 54 2HB TYR 54 -9.144 -10.390 -0.179 454 2HB TYR 54 1HB TYR 54 -7.618 -11.268 -0.196 455 HD1 TYR 54 1HD TYR 54 -11.107 -11.278 -1.325 456 HD2 TYR 54 2HD TYR 54 -7.388 -13.341 -1.424 457 HE1 TYR 54 1HE TYR 54 -11.927 -12.656 -3.189 458 HE2 TYR 54 2HE TYR 54 -8.198 -14.724 -3.289 459 HH TYR 54 HH TYR 54 -10.262 -15.450 -4.283 460 H GLY 55 H GLY 55 -9.462 -11.967 3.774 461 1HA GLY 55 2HA GLY 55 -7.885 -9.655 4.443 462 2HA GLY 55 1HA GLY 55 -8.747 -10.693 5.569 463 H ALA 56 H ALA 56 -7.610 -13.140 5.082 464 HA ALA 56 HA ALA 56 -5.147 -12.906 6.493 465 1HB ALA 56 1HB ALA 56 -5.338 -15.125 6.867 466 2HB ALA 56 2HB ALA 56 -5.780 -15.479 5.196 467 3HB ALA 56 3HB ALA 56 -6.991 -14.854 6.315 468 H GLU 57 H GLU 57 -5.980 -13.936 3.193 469 HA GLU 57 HA GLU 57 -3.378 -14.493 2.323 470 1HB GLU 57 2HB GLU 57 -5.401 -15.171 1.096 471 2HB GLU 57 1HB GLU 57 -5.725 -13.488 0.703 472 1HG GLU 57 2HG GLU 57 -4.252 -13.469 -0.976 473 2HG GLU 57 1HG GLU 57 -3.057 -14.396 -0.069 474 H ALA 58 H ALA 58 -5.112 -11.486 2.649 475 HA ALA 58 HA ALA 58 -3.589 -9.829 1.002 476 1HB ALA 58 1HB ALA 58 -4.261 -8.216 3.133 477 2HB ALA 58 2HB ALA 58 -5.480 -9.489 3.189 478 3HB ALA 58 3HB ALA 58 -5.265 -8.538 1.720 479 H SER 59 H SER 59 -3.135 -10.660 4.425 480 HA SER 59 HA SER 59 -0.822 -9.086 4.810 481 1HB SER 59 2HB SER 59 -0.466 -10.589 6.813 482 2HB SER 59 1HB SER 59 -2.045 -9.806 6.741 483 HG SER 59 HG SER 59 -2.984 -11.688 6.347 484 H ALA 60 H ALA 60 -1.332 -12.352 3.647 485 HA ALA 60 HA ALA 60 1.330 -13.259 3.824 486 1HB ALA 60 1HB ALA 60 0.636 -15.119 2.658 487 2HB ALA 60 2HB ALA 60 -0.486 -14.204 1.652 488 3HB ALA 60 3HB ALA 60 -0.887 -14.544 3.335 489 H PHE 61 H PHE 61 -0.466 -11.754 1.149 490 HA PHE 61 HA PHE 61 1.564 -11.846 -0.768 491 1HB PHE 61 2HB PHE 61 -0.761 -11.286 -1.315 492 2HB PHE 61 1HB PHE 61 -0.616 -9.774 -0.425 493 HD1 PHE 61 2HD PHE 61 1.212 -8.133 -1.234 494 HD2 PHE 61 1HD PHE 61 -0.316 -11.337 -3.581 495 HE1 PHE 61 2HE PHE 61 1.989 -7.003 -3.277 496 HE2 PHE 61 1HE PHE 61 0.460 -10.213 -5.628 497 HZ PHE 61 HZ PHE 61 1.614 -8.043 -5.477 498 H THR 62 H THR 62 0.788 -9.344 1.623 499 HA THR 62 HA THR 62 2.930 -7.623 0.812 500 HB THR 62 HB THR 62 1.394 -7.603 3.418 501 HG1 THR 62 1HG THR 62 -0.110 -6.404 2.413 502 1HG2 THR 62 1HG2 THR 62 2.282 -5.103 2.145 503 2HG2 THR 62 2HG2 THR 62 3.544 -6.104 2.864 504 3HG2 THR 62 3HG2 THR 62 2.190 -5.548 3.849 505 H LYS 63 H LYS 63 2.474 -10.137 3.175 506 HA LYS 63 HA LYS 63 4.765 -9.667 4.745 507 1HB LYS 63 2HB LYS 63 2.982 -11.022 5.591 508 2HB LYS 63 1HB LYS 63 3.109 -12.136 4.240 509 1HG LYS 63 2HG LYS 63 5.439 -12.670 5.089 510 2HG LYS 63 1HG LYS 63 4.982 -11.801 6.558 511 1HD LYS 63 2HD LYS 63 2.877 -13.344 6.463 512 2HD LYS 63 1HD LYS 63 3.907 -14.356 5.449 513 1HE LYS 63 2HE LYS 63 4.782 -13.354 8.145 514 2HE LYS 63 1HE LYS 63 3.892 -14.862 7.943 515 1HZ LYS 63 1HZ LYS 63 6.344 -14.371 6.385 516 2HZ LYS 63 2HZ LYS 63 5.640 -15.843 6.830 517 3HZ LYS 63 3HZ LYS 63 6.452 -14.911 7.985 518 H LYS 64 H LYS 64 4.203 -11.995 2.095 519 HA LYS 64 HA LYS 64 6.894 -12.913 2.059 520 1HB LYS 64 2HB LYS 64 4.934 -13.080 -0.230 521 2HB LYS 64 1HB LYS 64 6.304 -14.132 0.085 522 1HG LYS 64 2HG LYS 64 3.575 -14.241 1.111 523 2HG LYS 64 1HG LYS 64 4.778 -15.516 0.938 524 1HD LYS 64 2HD LYS 64 5.899 -14.332 2.984 525 2HD LYS 64 1HD LYS 64 4.286 -13.662 3.228 526 1HE LYS 64 2HE LYS 64 4.816 -15.809 4.470 527 2HE LYS 64 1HE LYS 64 3.332 -15.799 3.520 528 1HZ LYS 64 1HZ LYS 64 4.242 -17.181 1.930 529 2HZ LYS 64 2HZ LYS 64 4.912 -17.804 3.353 530 3HZ LYS 64 3HZ LYS 64 5.839 -16.810 2.348 531 H MET 65 H MET 65 5.123 -10.441 0.339 532 HA MET 65 HA MET 65 7.103 -9.868 -1.603 533 1HB MET 65 2HB MET 65 4.722 -9.164 -1.769 534 2HB MET 65 1HB MET 65 5.002 -8.009 -0.474 535 1HG MET 65 2HG MET 65 5.683 -6.510 -1.941 536 2HG MET 65 1HG MET 65 6.980 -7.586 -2.458 537 1HE MET 65 1HE MET 65 7.275 -8.226 -4.749 538 2HE MET 65 2HE MET 65 6.004 -8.829 -5.812 539 3HE MET 65 3HE MET 65 6.369 -9.673 -4.307 540 H VAL 66 H VAL 66 6.531 -8.773 1.675 541 HA VAL 66 HA VAL 66 8.694 -6.825 1.517 542 HB VAL 66 HB VAL 66 6.502 -6.442 2.782 543 1HG1 VAL 66 1HG1 VAL 66 7.885 -8.194 4.809 544 2HG1 VAL 66 2HG1 VAL 66 6.389 -8.566 3.958 545 3HG1 VAL 66 3HG1 VAL 66 6.443 -7.225 5.102 546 1HG2 VAL 66 1HG2 VAL 66 7.961 -5.495 4.813 547 2HG2 VAL 66 2HG2 VAL 66 7.945 -4.756 3.212 548 3HG2 VAL 66 3HG2 VAL 66 9.256 -5.844 3.667 549 H GLU 67 H GLU 67 8.047 -10.011 2.771 550 HA GLU 67 HA GLU 67 10.424 -10.132 4.389 551 1HB GLU 67 2HB GLU 67 8.392 -12.183 3.519 552 2HB GLU 67 1HB GLU 67 9.829 -12.624 4.432 553 1HG GLU 67 2HG GLU 67 8.276 -10.413 5.571 554 2HG GLU 67 1HG GLU 67 7.445 -11.967 5.526 555 H ASN 68 H ASN 68 9.504 -10.927 1.126 556 HA ASN 68 HA ASN 68 11.937 -12.412 0.602 557 1HB ASN 68 2HB ASN 68 9.670 -12.904 -0.469 558 2HB ASN 68 1HB ASN 68 9.926 -11.456 -1.438 559 1HD2 ASN 68 1HD2 ASN 68 10.370 -12.132 -3.412 560 2HD2 ASN 68 2HD2 ASN 68 11.553 -13.320 -3.832 561 H ALA 69 H ALA 69 10.528 -9.266 -0.120 562 HA ALA 69 HA ALA 69 12.541 -8.342 -1.858 563 1HB ALA 69 1HB ALA 69 10.736 -6.746 -0.044 564 2HB ALA 69 2HB ALA 69 10.345 -7.279 -1.678 565 3HB ALA 69 3HB ALA 69 11.648 -6.118 -1.418 566 H LYS 70 H LYS 70 14.475 -9.023 -0.873 567 HA LYS 70 HA LYS 70 15.436 -8.567 1.634 568 1HB LYS 70 2HB LYS 70 17.082 -8.202 -0.870 569 2HB LYS 70 1HB LYS 70 17.660 -8.686 0.719 570 1HG LYS 70 2HG LYS 70 15.596 -10.475 -0.177 571 2HG LYS 70 1HG LYS 70 16.871 -10.342 -1.391 572 1HD LYS 70 2HD LYS 70 17.815 -11.968 -0.123 573 2HD LYS 70 1HD LYS 70 18.387 -10.579 0.803 574 1HE LYS 70 2HE LYS 70 16.147 -10.859 2.094 575 2HE LYS 70 1HE LYS 70 16.171 -12.489 1.422 576 1HZ LYS 70 1HZ LYS 70 17.964 -11.262 3.389 577 2HZ LYS 70 2HZ LYS 70 18.596 -12.448 2.363 578 3HZ LYS 70 3HZ LYS 70 17.285 -12.812 3.370 579 H LYS 71 H LYS 71 14.958 -6.222 -0.894 580 HA LYS 71 HA LYS 71 15.958 -4.133 0.928 581 1HB LYS 71 2HB LYS 71 17.458 -4.242 -0.952 582 2HB LYS 71 1HB LYS 71 16.116 -4.266 -2.088 583 1HG LYS 71 2HG LYS 71 16.190 -1.928 -0.317 584 2HG LYS 71 1HG LYS 71 17.547 -2.064 -1.438 585 1HD LYS 71 2HD LYS 71 15.439 -2.652 -3.060 586 2HD LYS 71 1HD LYS 71 14.717 -1.479 -1.957 587 1HE LYS 71 2HE LYS 71 15.956 0.230 -2.754 588 2HE LYS 71 1HE LYS 71 17.386 -0.778 -2.981 589 1HZ LYS 71 1HZ LYS 71 15.940 0.178 -4.989 590 2HZ LYS 71 2HZ LYS 71 15.155 -1.304 -4.768 591 3HZ LYS 71 3HZ LYS 71 16.815 -1.267 -5.089 592 H ILE 72 H ILE 72 14.363 -2.901 1.661 593 HA ILE 72 HA ILE 72 12.022 -2.483 -0.065 594 HB ILE 72 HB ILE 72 11.867 -2.481 2.937 595 1HG1 ILE 72 2HG1 ILE 72 10.731 -4.795 2.451 596 2HG1 ILE 72 1HG1 ILE 72 11.731 -4.771 1.002 597 1HG2 ILE 72 1HG2 ILE 72 9.552 -2.522 2.641 598 2HG2 ILE 72 2HG2 ILE 72 9.685 -3.064 0.967 599 3HG2 ILE 72 3HG2 ILE 72 10.116 -1.408 1.396 600 1HD1 ILE 72 1HD1 ILE 72 13.630 -5.133 2.150 601 2HD1 ILE 72 2HD1 ILE 72 12.511 -5.835 3.319 602 3HD1 ILE 72 3HD1 ILE 72 13.101 -4.187 3.540 603 H GLU 73 H GLU 73 11.136 -0.457 -0.168 604 HA GLU 73 HA GLU 73 12.515 1.686 1.305 605 1HB GLU 73 2HB GLU 73 11.769 1.644 -1.621 606 2HB GLU 73 1HB GLU 73 12.284 3.086 -0.760 607 1HG GLU 73 2HG GLU 73 14.442 2.102 -0.319 608 2HG GLU 73 1HG GLU 73 13.933 0.589 -1.066 609 H VAL 74 H VAL 74 11.261 3.452 1.912 610 HA VAL 74 HA VAL 74 8.363 3.142 1.491 611 HB VAL 74 HB VAL 74 7.965 4.100 3.679 612 1HG1 VAL 74 1HG1 VAL 74 8.008 1.875 4.067 613 2HG1 VAL 74 2HG1 VAL 74 9.442 2.293 5.005 614 3HG1 VAL 74 3HG1 VAL 74 9.612 1.672 3.364 615 1HG2 VAL 74 1HG2 VAL 74 9.958 5.573 3.727 616 2HG2 VAL 74 2HG2 VAL 74 10.959 4.159 4.054 617 3HG2 VAL 74 3HG2 VAL 74 9.736 4.661 5.219 618 H GLU 75 H GLU 75 7.120 5.022 1.227 619 HA GLU 75 HA GLU 75 8.639 7.500 0.761 620 1HB GLU 75 2HB GLU 75 8.147 6.438 -1.399 621 2HB GLU 75 1HB GLU 75 6.436 6.397 -0.995 622 1HG GLU 75 2HG GLU 75 7.650 9.051 -0.814 623 2HG GLU 75 1HG GLU 75 7.666 8.350 -2.431 624 H PHE 76 H PHE 76 7.928 9.006 2.113 625 HA PHE 76 HA PHE 76 5.233 8.832 3.204 626 1HB PHE 76 2HB PHE 76 7.662 10.465 3.914 627 2HB PHE 76 1HB PHE 76 6.082 10.809 4.609 628 HD1 PHE 76 1HD PHE 76 5.006 9.199 6.107 629 HD2 PHE 76 2HD PHE 76 8.927 8.555 4.585 630 HE1 PHE 76 1HE PHE 76 5.388 7.484 7.829 631 HE2 PHE 76 2HE PHE 76 9.317 6.838 6.304 632 HZ PHE 76 HZ PHE 76 7.547 6.300 7.929 633 H ASP 77 H ASP 77 3.703 10.476 3.074 634 HA ASP 77 HA ASP 77 4.001 12.200 0.731 635 1HB ASP 77 2HB ASP 77 1.655 11.166 2.288 636 2HB ASP 77 1HB ASP 77 1.472 12.592 1.271 637 H LYS 78 H LYS 78 2.488 14.302 1.098 638 HA LYS 78 HA LYS 78 3.947 15.873 3.010 639 1HB LYS 78 2HB LYS 78 2.471 17.733 2.142 640 2HB LYS 78 1HB LYS 78 3.476 16.935 0.941 641 1HG LYS 78 2HG LYS 78 0.788 15.797 1.275 642 2HG LYS 78 1HG LYS 78 0.842 17.442 0.640 643 1HD LYS 78 2HD LYS 78 2.700 15.437 -0.526 644 2HD LYS 78 1HD LYS 78 0.989 15.318 -0.944 645 1HE LYS 78 2HE LYS 78 0.972 17.371 -2.008 646 2HE LYS 78 1HE LYS 78 2.383 17.955 -1.126 647 1HZ LYS 78 1HZ LYS 78 2.841 17.441 -3.476 648 2HZ LYS 78 2HZ LYS 78 2.460 15.819 -3.188 649 3HZ LYS 78 3HZ LYS 78 3.788 16.525 -2.414 650 H GLY 79 H GLY 79 0.937 14.201 2.977 651 1HA GLY 79 2HA GLY 79 -0.520 15.748 4.824 652 2HA GLY 79 1HA GLY 79 -0.764 14.037 4.510 653 H GLN 80 H GLN 80 -0.757 12.963 6.366 654 HA GLN 80 HA GLN 80 1.038 13.839 8.513 655 1HB GLN 80 2HB GLN 80 -0.353 12.513 10.005 656 2HB GLN 80 1HB GLN 80 -1.349 13.618 9.066 657 1HG GLN 80 2HG GLN 80 -1.038 11.013 7.806 658 2HG GLN 80 1HG GLN 80 -1.787 10.933 9.400 659 1HE2 GLN 80 1HE2 GLN 80 -3.708 10.242 8.341 660 2HE2 GLN 80 2HE2 GLN 80 -4.750 11.389 7.577 661 H ARG 81 H ARG 81 2.422 12.407 9.572 662 HA ARG 81 HA ARG 81 3.305 10.171 7.923 663 1HB ARG 81 2HB ARG 81 4.875 11.958 8.828 664 2HB ARG 81 1HB ARG 81 4.630 11.237 10.413 665 1HG ARG 81 2HG ARG 81 5.310 9.042 9.067 666 2HG ARG 81 1HG ARG 81 6.155 10.243 8.088 667 1HD ARG 81 2HD ARG 81 6.773 11.041 10.626 668 2HD ARG 81 1HD ARG 81 6.714 9.286 10.800 669 HE ARG 81 HE ARG 81 8.236 10.118 8.526 670 1HH1 ARG 81 1HH1 ARG 81 8.357 9.630 11.979 671 2HH1 ARG 81 2HH1 ARG 81 10.070 9.384 12.010 672 1HH2 ARG 81 1HH2 ARG 81 10.491 9.795 8.565 673 2HH2 ARG 81 2HH2 ARG 81 11.282 9.479 10.072 674 H THR 82 H THR 82 1.747 10.825 10.948 675 HA THR 82 HA THR 82 1.501 7.942 11.414 676 HB THR 82 HB THR 82 2.017 8.102 13.719 677 HG1 THR 82 1HG THR 82 1.033 9.999 14.290 678 1HG2 THR 82 1HG2 THR 82 4.099 10.024 13.027 679 2HG2 THR 82 2HG2 THR 82 3.956 8.673 11.902 680 3HG2 THR 82 3HG2 THR 82 4.227 8.368 13.618 681 H ASP 83 H ASP 83 -0.605 7.579 11.187 682 HA ASP 83 HA ASP 83 -2.606 9.553 11.582 683 1HB ASP 83 2HB ASP 83 -4.183 7.586 11.318 684 2HB ASP 83 1HB ASP 83 -3.059 7.845 9.988 685 H LYS 84 H LYS 84 -1.672 10.001 13.846 686 HA LYS 84 HA LYS 84 -1.843 9.922 16.120 687 1HB LYS 84 2HB LYS 84 -4.614 9.151 15.225 688 2HB LYS 84 1HB LYS 84 -4.215 9.414 16.916 689 1HG LYS 84 2HG LYS 84 -5.072 11.455 16.255 690 2HG LYS 84 1HG LYS 84 -3.329 11.700 16.125 691 1HD LYS 84 2HD LYS 84 -3.377 11.806 13.853 692 2HD LYS 84 1HD LYS 84 -4.728 10.679 13.722 693 1HE LYS 84 2HE LYS 84 -5.204 13.075 13.065 694 2HE LYS 84 1HE LYS 84 -6.304 12.357 14.241 695 1HZ LYS 84 1HZ LYS 84 -3.985 14.032 15.017 696 2HZ LYS 84 2HZ LYS 84 -5.276 13.538 15.991 697 3HZ LYS 84 3HZ LYS 84 -5.532 14.664 14.756 698 H TYR 85 H TYR 85 -0.902 7.457 14.807 699 HA TYR 85 HA TYR 85 -1.489 5.612 17.017 700 1HB TYR 85 2HB TYR 85 -2.080 5.219 14.214 701 2HB TYR 85 1HB TYR 85 -0.955 3.992 14.788 702 HD1 TYR 85 1HD TYR 85 -4.301 5.464 15.303 703 HD2 TYR 85 2HD TYR 85 -1.667 2.265 16.262 704 HE1 TYR 85 1HE TYR 85 -6.174 4.234 16.316 705 HE2 TYR 85 2HE TYR 85 -3.533 1.025 17.277 706 HH TYR 85 HH TYR 85 -6.092 2.104 18.351 707 H GLY 86 H GLY 86 0.794 7.478 16.012 708 1HA GLY 86 2HA GLY 86 3.089 7.459 16.003 709 2HA GLY 86 1HA GLY 86 2.932 6.120 17.128 710 H ARG 87 H ARG 87 1.604 5.789 13.949 711 HA ARG 87 HA ARG 87 3.576 3.719 13.370 712 1HB ARG 87 2HB ARG 87 0.872 4.409 12.266 713 2HB ARG 87 1HB ARG 87 1.958 3.359 11.366 714 1HG ARG 87 2HG ARG 87 2.094 2.052 13.622 715 2HG ARG 87 1HG ARG 87 0.572 2.880 13.959 716 1HD ARG 87 2HD ARG 87 0.900 1.530 11.328 717 2HD ARG 87 1HD ARG 87 0.637 0.529 12.755 718 HE ARG 87 HE ARG 87 -1.276 2.244 11.457 719 1HH1 ARG 87 1HH1 ARG 87 -0.423 0.632 14.433 720 2HH1 ARG 87 2HH1 ARG 87 -2.047 0.613 15.034 721 1HH2 ARG 87 1HH2 ARG 87 -3.411 2.219 12.246 722 2HH2 ARG 87 2HH2 ARG 87 -3.743 1.514 13.792 723 H GLY 88 H GLY 88 3.846 3.564 10.771 724 1HA GLY 88 2HA GLY 88 4.971 6.181 9.998 725 2HA GLY 88 1HA GLY 88 5.653 4.631 9.527 726 H LEU 89 H LEU 89 2.721 6.614 9.184 727 HA LEU 89 HA LEU 89 1.539 5.229 7.084 728 1HB LEU 89 2HB LEU 89 1.441 8.053 8.034 729 2HB LEU 89 1HB LEU 89 0.717 7.670 6.485 730 HG LEU 89 HG LEU 89 -0.040 6.506 9.164 731 1HD1 LEU 89 1HD1 LEU 89 -1.110 8.643 7.428 732 2HD1 LEU 89 2HD1 LEU 89 -1.170 8.464 9.182 733 3HD1 LEU 89 3HD1 LEU 89 -2.289 7.556 8.163 734 1HD2 LEU 89 1HD2 LEU 89 -1.953 5.570 7.647 735 2HD2 LEU 89 2HD2 LEU 89 -0.420 4.707 7.780 736 3HD2 LEU 89 3HD2 LEU 89 -0.742 5.719 6.372 737 H ALA 90 H ALA 90 2.393 4.719 5.180 738 HA ALA 90 HA ALA 90 3.242 6.596 3.293 739 1HB ALA 90 1HB ALA 90 5.708 5.157 3.825 740 2HB ALA 90 2HB ALA 90 5.227 6.183 5.177 741 3HB ALA 90 3HB ALA 90 5.436 6.881 3.572 742 H TYR 91 H TYR 91 4.287 5.543 1.365 743 HA TYR 91 HA TYR 91 2.956 3.031 0.860 744 1HB TYR 91 2HB TYR 91 4.697 4.755 -0.917 745 2HB TYR 91 1HB TYR 91 3.816 3.328 -1.452 746 HD1 TYR 91 2HD TYR 91 1.243 3.360 -1.077 747 HD2 TYR 91 1HD TYR 91 3.686 6.844 -1.038 748 HE1 TYR 91 2HE TYR 91 -0.737 4.746 -1.527 749 HE2 TYR 91 1HE TYR 91 1.711 8.240 -1.487 750 HH TYR 91 HH TYR 91 -1.167 7.581 -0.955 751 H ILE 92 H ILE 92 3.904 1.065 0.454 752 HA ILE 92 HA ILE 92 6.682 0.805 1.350 753 HB ILE 92 HB ILE 92 4.673 -1.406 0.934 754 1HG1 ILE 92 2HG1 ILE 92 3.894 0.223 2.633 755 2HG1 ILE 92 1HG1 ILE 92 4.272 -1.349 3.331 756 1HG2 ILE 92 1HG2 ILE 92 6.857 -1.711 2.870 757 2HG2 ILE 92 2HG2 ILE 92 7.367 -1.589 1.186 758 3HG2 ILE 92 3HG2 ILE 92 6.229 -2.845 1.673 759 1HD1 ILE 92 1HD1 ILE 92 5.128 1.064 4.274 760 2HD1 ILE 92 2HD1 ILE 92 6.523 0.501 3.351 761 3HD1 ILE 92 3HD1 ILE 92 5.857 -0.498 4.643 762 H TYR 93 H TYR 93 8.276 0.106 0.056 763 HA TYR 93 HA TYR 93 7.552 -0.850 -2.634 764 1HB TYR 93 2HB TYR 93 9.669 1.138 -1.829 765 2HB TYR 93 1HB TYR 93 9.741 0.273 -3.360 766 HD1 TYR 93 1HD TYR 93 7.994 0.650 -5.076 767 HD2 TYR 93 2HD TYR 93 8.143 2.944 -1.496 768 HE1 TYR 93 1HE TYR 93 6.514 2.328 -6.098 769 HE2 TYR 93 2HE TYR 93 6.666 4.630 -2.508 770 HH TYR 93 HH TYR 93 5.916 4.647 -5.855 771 H ALA 94 H ALA 94 8.374 -2.766 -3.151 772 HA ALA 94 HA ALA 94 10.582 -3.829 -1.509 773 1HB ALA 94 1HB ALA 94 9.406 -5.981 -2.803 774 2HB ALA 94 2HB ALA 94 8.047 -4.943 -2.371 775 3HB ALA 94 3HB ALA 94 9.160 -5.501 -1.123 776 H ASP 95 H ASP 95 12.464 -4.080 -2.480 777 HA ASP 95 HA ASP 95 14.054 -3.990 -4.129 778 1HB ASP 95 2HB ASP 95 12.303 -6.142 -5.323 779 2HB ASP 95 1HB ASP 95 14.039 -5.942 -5.544 780 H GLY 96 H GLY 96 12.253 -1.946 -4.586 781 1HA GLY 96 2HA GLY 96 11.966 -0.397 -6.287 782 2HA GLY 96 1HA GLY 96 12.607 -1.571 -7.422 783 H LYS 97 H LYS 97 10.026 -2.654 -5.431 784 HA LYS 97 HA LYS 97 8.138 -2.251 -7.655 785 1HB LYS 97 2HB LYS 97 8.791 -4.588 -7.544 786 2HB LYS 97 1HB LYS 97 8.414 -4.643 -5.827 787 1HG LYS 97 2HG LYS 97 6.312 -5.169 -6.259 788 2HG LYS 97 1HG LYS 97 6.120 -3.735 -7.270 789 1HD LYS 97 2HD LYS 97 7.516 -6.157 -8.339 790 2HD LYS 97 1HD LYS 97 5.753 -6.096 -8.300 791 1HE LYS 97 2HE LYS 97 6.067 -3.789 -9.448 792 2HE LYS 97 1HE LYS 97 7.674 -4.397 -9.841 793 1HZ LYS 97 1HZ LYS 97 5.078 -5.622 -10.601 794 2HZ LYS 97 2HZ LYS 97 6.586 -6.339 -10.876 795 3HZ LYS 97 3HZ LYS 97 6.193 -4.880 -11.637 796 H MET 98 H MET 98 6.020 -1.729 -7.140 797 HA MET 98 HA MET 98 5.659 -0.582 -4.496 798 1HB MET 98 2HB MET 98 4.934 0.296 -6.950 799 2HB MET 98 1HB MET 98 3.444 -0.488 -6.450 800 1HG MET 98 2HG MET 98 3.035 1.015 -4.802 801 2HG MET 98 1HG MET 98 4.741 1.346 -4.523 802 1HE MET 98 1HE MET 98 2.012 3.484 -5.004 803 2HE MET 98 2HE MET 98 3.065 4.800 -5.522 804 3HE MET 98 3HE MET 98 3.546 3.763 -4.179 805 H VAL 99 H VAL 99 4.688 -1.618 -2.895 806 HA VAL 99 HA VAL 99 3.472 -4.171 -3.270 807 HB VAL 99 HB VAL 99 3.381 -2.464 -0.784 808 1HG1 VAL 99 1HG1 VAL 99 2.616 -5.218 -1.453 809 2HG1 VAL 99 2HG1 VAL 99 2.056 -4.166 -0.152 810 3HG1 VAL 99 3HG1 VAL 99 3.572 -5.050 0.020 811 1HG2 VAL 99 1HG2 VAL 99 5.594 -3.962 -2.035 812 2HG2 VAL 99 2HG2 VAL 99 5.376 -4.200 -0.300 813 3HG2 VAL 99 3HG2 VAL 99 5.633 -2.577 -0.943 814 H ASN 100 H ASN 100 2.247 -0.922 -2.586 815 HA ASN 100 HA ASN 100 -0.420 -1.632 -2.087 816 1HB ASN 100 2HB ASN 100 -0.899 0.771 -2.814 817 2HB ASN 100 1HB ASN 100 0.212 0.551 -1.466 818 1HD2 ASN 100 1HD2 ASN 100 2.346 1.089 -1.699 819 2HD2 ASN 100 2HD2 ASN 100 2.955 1.956 -3.064 820 H GLU 101 H GLU 101 1.120 -0.563 -5.125 821 HA GLU 101 HA GLU 101 -1.224 -0.791 -6.681 822 1HB GLU 101 2HB GLU 101 0.092 -0.278 -8.516 823 2HB GLU 101 1HB GLU 101 1.032 0.409 -7.200 824 1HG GLU 101 2HG GLU 101 2.659 -0.657 -8.398 825 2HG GLU 101 1HG GLU 101 2.233 -1.907 -7.232 826 H ALA 102 H ALA 102 1.352 -3.066 -5.909 827 HA ALA 102 HA ALA 102 0.587 -5.089 -7.727 828 1HB ALA 102 1HB ALA 102 2.769 -4.801 -6.342 829 2HB ALA 102 2HB ALA 102 2.179 -6.421 -6.711 830 3HB ALA 102 3HB ALA 102 1.898 -5.722 -5.116 831 H LEU 103 H LEU 103 -0.266 -4.461 -4.348 832 HA LEU 103 HA LEU 103 -1.800 -6.818 -3.993 833 1HB LEU 103 2HB LEU 103 -1.673 -4.192 -2.538 834 2HB LEU 103 1HB LEU 103 -2.816 -5.438 -2.075 835 HG LEU 103 HG LEU 103 0.056 -6.196 -2.288 836 1HD1 LEU 103 1HD1 LEU 103 -1.093 -4.701 0.065 837 2HD1 LEU 103 2HD1 LEU 103 0.090 -4.060 -1.076 838 3HD1 LEU 103 3HD1 LEU 103 0.514 -5.421 -0.039 839 1HD2 LEU 103 1HD2 LEU 103 -2.222 -6.952 -0.462 840 2HD2 LEU 103 2HD2 LEU 103 -0.586 -7.603 -0.357 841 3HD2 LEU 103 3HD2 LEU 103 -1.565 -7.908 -1.790 842 H VAL 104 H VAL 104 -2.773 -3.438 -4.579 843 HA VAL 104 HA VAL 104 -5.527 -3.952 -4.787 844 HB VAL 104 HB VAL 104 -4.017 -1.728 -6.156 845 1HG1 VAL 104 1HG1 VAL 104 -6.170 -1.648 -7.003 846 2HG1 VAL 104 2HG1 VAL 104 -6.268 -0.561 -5.618 847 3HG1 VAL 104 3HG1 VAL 104 -6.894 -2.206 -5.495 848 1HG2 VAL 104 1HG2 VAL 104 -3.929 -2.228 -3.484 849 2HG2 VAL 104 2HG2 VAL 104 -5.334 -1.168 -3.596 850 3HG2 VAL 104 3HG2 VAL 104 -3.772 -0.629 -4.212 851 H ARG 105 H ARG 105 -3.018 -3.664 -7.289 852 HA ARG 105 HA ARG 105 -4.683 -4.032 -9.510 853 1HB ARG 105 2HB ARG 105 -2.339 -3.234 -9.628 854 2HB ARG 105 1HB ARG 105 -1.788 -4.853 -9.220 855 1HG ARG 105 2HG ARG 105 -2.885 -5.694 -11.277 856 2HG ARG 105 1HG ARG 105 -3.282 -4.026 -11.699 857 1HD ARG 105 2HD ARG 105 -1.125 -3.497 -12.211 858 2HD ARG 105 1HD ARG 105 -0.454 -4.636 -11.045 859 HE ARG 105 HE ARG 105 -0.420 -6.241 -12.678 860 1HH1 ARG 105 1HH1 ARG 105 -2.421 -3.586 -13.739 861 2HH1 ARG 105 2HH1 ARG 105 -2.591 -4.194 -15.351 862 1HH2 ARG 105 1HH2 ARG 105 -0.641 -7.042 -14.799 863 2HH2 ARG 105 2HH2 ARG 105 -1.579 -6.156 -15.953 864 H GLN 106 H GLN 106 -3.338 -6.293 -7.236 865 HA GLN 106 HA GLN 106 -4.066 -8.591 -8.867 866 1HB GLN 106 2HB GLN 106 -2.692 -8.281 -6.204 867 2HB GLN 106 1HB GLN 106 -3.210 -9.851 -6.803 868 1HG GLN 106 2HG GLN 106 -1.406 -8.033 -8.368 869 2HG GLN 106 1HG GLN 106 -0.803 -9.220 -7.213 870 1HE2 GLN 106 1HE2 GLN 106 -0.259 -11.097 -8.041 871 2HE2 GLN 106 2HE2 GLN 106 -0.886 -11.796 -9.492 872 H GLY 107 H GLY 107 -5.248 -6.755 -6.158 873 1HA GLY 107 2HA GLY 107 -7.579 -6.785 -5.608 874 2HA GLY 107 1HA GLY 107 -7.642 -8.465 -6.123 875 H LEU 108 H LEU 108 -5.384 -6.831 -3.922 876 HA LEU 108 HA LEU 108 -6.270 -8.684 -1.807 877 1HB LEU 108 2HB LEU 108 -3.565 -7.863 -2.713 878 2HB LEU 108 1HB LEU 108 -3.795 -8.070 -0.987 879 HG LEU 108 HG LEU 108 -2.936 -10.118 -1.856 880 1HD1 LEU 108 1HD1 LEU 108 -5.182 -9.981 -0.362 881 2HD1 LEU 108 2HD1 LEU 108 -4.347 -11.483 -0.760 882 3HD1 LEU 108 3HD1 LEU 108 -5.745 -10.973 -1.707 883 1HD2 LEU 108 1HD2 LEU 108 -4.738 -11.234 -3.567 884 2HD2 LEU 108 2HD2 LEU 108 -3.248 -10.425 -4.053 885 3HD2 LEU 108 3HD2 LEU 108 -4.773 -9.542 -4.063 886 H ALA 109 H ALA 109 -5.285 -5.423 -2.619 887 HA ALA 109 HA ALA 109 -6.236 -4.539 0.026 888 1HB ALA 109 1HB ALA 109 -4.229 -2.891 -1.408 889 2HB ALA 109 2HB ALA 109 -3.672 -4.373 -0.630 890 3HB ALA 109 3HB ALA 109 -4.477 -3.124 0.322 891 H LYS 110 H LYS 110 -7.381 -2.591 0.105 892 HA LYS 110 HA LYS 110 -8.421 -1.695 -2.501 893 1HB LYS 110 2HB LYS 110 -10.427 -0.953 -1.249 894 2HB LYS 110 1HB LYS 110 -10.149 -2.685 -1.127 895 1HG LYS 110 2HG LYS 110 -10.299 -2.491 1.071 896 2HG LYS 110 1HG LYS 110 -8.799 -1.563 1.045 897 1HD LYS 110 2HD LYS 110 -10.039 0.067 1.966 898 2HD LYS 110 1HD LYS 110 -10.622 0.327 0.320 899 1HE LYS 110 2HE LYS 110 -12.617 0.131 1.416 900 2HE LYS 110 1HE LYS 110 -12.335 -1.559 0.996 901 1HZ LYS 110 1HZ LYS 110 -11.125 -1.507 3.322 902 2HZ LYS 110 2HZ LYS 110 -12.789 -1.784 3.192 903 3HZ LYS 110 3HZ LYS 110 -12.218 -0.246 3.603 904 H VAL 111 H VAL 111 -9.295 0.635 -2.376 905 HA VAL 111 HA VAL 111 -7.084 2.317 -1.610 906 HB VAL 111 HB VAL 111 -8.281 2.690 -3.728 907 1HG1 VAL 111 1HG1 VAL 111 -10.498 3.149 -3.916 908 2HG1 VAL 111 2HG1 VAL 111 -10.580 3.949 -2.347 909 3HG1 VAL 111 3HG1 VAL 111 -10.555 2.189 -2.439 910 1HG2 VAL 111 1HG2 VAL 111 -8.911 5.234 -3.025 911 2HG2 VAL 111 2HG2 VAL 111 -7.271 4.659 -3.326 912 3HG2 VAL 111 3HG2 VAL 111 -7.882 4.753 -1.674 913 H ALA 112 H ALA 112 -6.861 3.154 0.351 914 HA ALA 112 HA ALA 112 -8.996 3.185 2.254 915 1HB ALA 112 1HB ALA 112 -6.455 2.889 2.658 916 2HB ALA 112 2HB ALA 112 -7.409 3.800 3.829 917 3HB ALA 112 3HB ALA 112 -6.416 4.651 2.646 918 H TYR 113 H TYR 113 -8.655 5.528 3.651 919 HA TYR 113 HA TYR 113 -9.213 7.697 1.769 920 1HB TYR 113 2HB TYR 113 -11.198 8.360 3.176 921 2HB TYR 113 1HB TYR 113 -11.413 6.890 2.232 922 HD1 TYR 113 1HD TYR 113 -10.730 4.669 3.545 923 HD2 TYR 113 2HD TYR 113 -11.884 8.331 5.376 924 HE1 TYR 113 1HE TYR 113 -11.350 3.447 5.587 925 HE2 TYR 113 2HE TYR 113 -12.507 7.120 7.423 926 HH TYR 113 HH TYR 113 -11.670 3.836 7.941 927 H VAL 114 H VAL 114 -7.211 8.569 2.415 928 HA VAL 114 HA VAL 114 -6.495 9.050 5.107 929 HB VAL 114 HB VAL 114 -4.838 9.037 3.297 930 1HG1 VAL 114 1HG1 VAL 114 -4.913 11.552 2.176 931 2HG1 VAL 114 2HG1 VAL 114 -6.608 11.066 2.195 932 3HG1 VAL 114 3HG1 VAL 114 -5.408 10.051 1.394 933 1HG2 VAL 114 1HG2 VAL 114 -3.494 10.856 4.073 934 2HG2 VAL 114 2HG2 VAL 114 -4.442 10.268 5.439 935 3HG2 VAL 114 3HG2 VAL 114 -4.916 11.751 4.610 936 H TYR 115 H TYR 115 -6.264 11.176 6.124 937 HA TYR 115 HA TYR 115 -8.625 12.536 6.442 938 1HB TYR 115 2HB TYR 115 -6.334 12.640 7.744 939 2HB TYR 115 1HB TYR 115 -6.066 14.056 6.731 940 HD1 TYR 115 2HD TYR 115 -8.561 12.581 9.077 941 HD2 TYR 115 1HD TYR 115 -6.898 16.120 7.400 942 HE1 TYR 115 2HE TYR 115 -9.893 13.938 10.635 943 HE2 TYR 115 1HE TYR 115 -8.225 17.487 8.954 944 HH TYR 115 HH TYR 115 -10.210 17.338 10.305 945 H LYS 116 H LYS 116 -5.846 13.643 4.493 946 HA LYS 116 HA LYS 116 -7.235 14.503 2.281 947 1HB LYS 116 2HB LYS 116 -7.189 17.037 2.745 948 2HB LYS 116 1HB LYS 116 -8.503 16.094 3.433 949 1HG LYS 116 2HG LYS 116 -7.877 16.526 5.537 950 2HG LYS 116 1HG LYS 116 -6.161 16.335 5.171 951 1HD LYS 116 2HD LYS 116 -5.988 18.554 4.371 952 2HD LYS 116 1HD LYS 116 -7.741 18.749 4.316 953 1HE LYS 116 2HE LYS 116 -7.889 18.758 6.697 954 2HE LYS 116 1HE LYS 116 -6.200 18.283 6.861 955 1HZ LYS 116 1HZ LYS 116 -6.697 20.737 5.384 956 2HZ LYS 116 2HZ LYS 116 -5.484 20.374 6.508 957 3HZ LYS 116 3HZ LYS 116 -7.033 20.794 7.042 958 H GLY 117 H GLY 117 -4.603 15.142 4.504 959 1HA GLY 117 2HA GLY 117 -2.916 16.663 2.911 960 2HA GLY 117 1HA GLY 117 -2.372 15.531 4.140 961 H ASN 118 H ASN 118 -2.725 13.120 3.302 962 HA ASN 118 HA ASN 118 -0.958 12.872 1.061 963 1HB ASN 118 2HB ASN 118 -2.462 10.631 2.412 964 2HB ASN 118 1HB ASN 118 -0.950 10.530 1.518 965 1HD2 ASN 118 1HD2 ASN 118 -1.787 9.879 4.339 966 2HD2 ASN 118 2HD2 ASN 118 -0.598 10.653 5.324 967 H ASN 119 H ASN 119 -2.231 13.867 -0.597 968 HA ASN 119 HA ASN 119 -4.136 11.985 -1.797 969 1HB ASN 119 2HB ASN 119 -5.596 13.859 -2.469 970 2HB ASN 119 1HB ASN 119 -5.482 13.714 -0.718 971 1HD2 ASN 119 1HD2 ASN 119 -6.323 16.026 -2.004 972 2HD2 ASN 119 2HD2 ASN 119 -5.158 17.272 -1.728 973 H THR 120 H THR 120 -1.739 11.791 -2.711 974 HA THR 120 HA THR 120 -1.587 13.509 -5.102 975 HB THR 120 HB THR 120 0.665 12.066 -3.690 976 HG1 THR 120 1HG THR 120 0.213 13.796 -2.463 977 1HG2 THR 120 1HG2 THR 120 0.558 13.012 -6.326 978 2HG2 THR 120 2HG2 THR 120 1.973 12.476 -5.418 979 3HG2 THR 120 3HG2 THR 120 1.512 14.179 -5.410 980 H HIS 121 H HIS 121 -0.755 10.244 -3.935 981 HA HIS 121 HA HIS 121 -0.727 9.195 -6.622 982 1HB HIS 121 2HB HIS 121 -0.338 7.962 -3.903 983 2HB HIS 121 1HB HIS 121 -0.412 6.986 -5.365 984 HD1 HIS 121 1HD HIS 121 1.211 9.916 -6.435 985 HD2 HIS 121 2HD HIS 121 2.386 6.661 -4.134 986 HE1 HIS 121 1HE HIS 121 3.725 9.902 -6.524 987 HE2 HIS 121 2HE HIS 121 4.409 7.874 -5.196 988 H GLU 122 H GLU 122 -3.200 10.020 -4.633 989 HA GLU 122 HA GLU 122 -4.954 7.944 -4.426 990 1HB GLU 122 2HB GLU 122 -5.408 10.210 -3.599 991 2HB GLU 122 1HB GLU 122 -5.628 10.773 -5.250 992 1HG GLU 122 2HG GLU 122 -7.313 8.494 -4.557 993 2HG GLU 122 1HG GLU 122 -7.611 9.928 -3.575 994 H GLN 123 H GLN 123 -3.995 9.602 -7.337 995 HA GLN 123 HA GLN 123 -6.113 8.663 -8.987 996 1HB GLN 123 2HB GLN 123 -4.718 10.627 -9.550 997 2HB GLN 123 1HB GLN 123 -3.338 9.562 -9.780 998 1HG GLN 123 2HG GLN 123 -4.220 8.628 -11.715 999 2HG GLN 123 1HG GLN 123 -5.858 9.163 -11.339 1000 1HE2 GLN 123 1HE2 GLN 123 -2.706 10.784 -11.548 1001 2HE2 GLN 123 2HE2 GLN 123 -3.221 12.017 -12.643 1002 H LEU 124 H LEU 124 -2.933 7.437 -8.133 1003 HA LEU 124 HA LEU 124 -2.887 5.337 -10.051 1004 1HB LEU 124 2HB LEU 124 -1.415 5.108 -7.466 1005 2HB LEU 124 1HB LEU 124 -0.902 4.664 -9.081 1006 HG LEU 124 HG LEU 124 -0.988 7.427 -7.882 1007 1HD1 LEU 124 1HD1 LEU 124 1.287 7.354 -7.846 1008 2HD1 LEU 124 2HD1 LEU 124 1.386 6.234 -9.205 1009 3HD1 LEU 124 3HD1 LEU 124 0.942 5.641 -7.604 1010 1HD2 LEU 124 1HD2 LEU 124 0.137 7.875 -10.245 1011 2HD2 LEU 124 2HD2 LEU 124 -1.604 8.010 -9.994 1012 3HD2 LEU 124 3HD2 LEU 124 -0.927 6.549 -10.714 1013 H LEU 125 H LEU 125 -3.623 5.411 -6.572 1014 HA LEU 125 HA LEU 125 -4.278 2.677 -6.355 1015 1HB LEU 125 2HB LEU 125 -5.453 4.838 -4.630 1016 2HB LEU 125 1HB LEU 125 -5.082 3.180 -4.195 1017 HG LEU 125 HG LEU 125 -2.674 4.517 -5.022 1018 1HD1 LEU 125 1HD1 LEU 125 -2.667 6.022 -2.921 1019 2HD1 LEU 125 2HD1 LEU 125 -4.422 5.969 -3.078 1020 3HD1 LEU 125 3HD1 LEU 125 -3.438 6.608 -4.393 1021 1HD2 LEU 125 1HD2 LEU 125 -3.226 2.491 -3.435 1022 2HD2 LEU 125 2HD2 LEU 125 -3.248 3.754 -2.204 1023 3HD2 LEU 125 3HD2 LEU 125 -1.798 3.494 -3.173 1024 H ARG 126 H ARG 126 -6.113 5.483 -7.330 1025 HA ARG 126 HA ARG 126 -8.691 4.310 -7.092 1026 1HB ARG 126 2HB ARG 126 -7.545 6.769 -8.262 1027 2HB ARG 126 1HB ARG 126 -9.045 6.211 -8.992 1028 1HG ARG 126 2HG ARG 126 -8.840 6.440 -6.024 1029 2HG ARG 126 1HG ARG 126 -9.103 7.883 -7.006 1030 1HD ARG 126 2HD ARG 126 -10.890 5.968 -7.991 1031 2HD ARG 126 1HD ARG 126 -10.965 5.824 -6.236 1032 HE ARG 126 HE ARG 126 -11.973 7.879 -6.140 1033 1HH1 ARG 126 1HH1 ARG 126 -10.589 7.440 -9.313 1034 2HH1 ARG 126 2HH1 ARG 126 -11.331 8.859 -9.970 1035 1HH2 ARG 126 1HH2 ARG 126 -12.950 9.747 -7.003 1036 2HH2 ARG 126 2HH2 ARG 126 -12.671 10.171 -8.659 1037 H LYS 127 H LYS 127 -6.319 4.510 -9.688 1038 HA LYS 127 HA LYS 127 -7.992 3.443 -11.719 1039 1HB LYS 127 2HB LYS 127 -5.117 4.064 -11.404 1040 2HB LYS 127 1HB LYS 127 -5.502 2.821 -12.586 1041 1HG LYS 127 2HG LYS 127 -5.379 4.963 -13.671 1042 2HG LYS 127 1HG LYS 127 -7.046 4.384 -13.696 1043 1HD LYS 127 2HD LYS 127 -7.097 5.787 -11.410 1044 2HD LYS 127 1HD LYS 127 -5.852 6.689 -12.277 1045 1HE LYS 127 2HE LYS 127 -7.349 7.073 -14.123 1046 2HE LYS 127 1HE LYS 127 -8.576 6.039 -13.394 1047 1HZ LYS 127 1HZ LYS 127 -7.599 8.635 -12.335 1048 2HZ LYS 127 2HZ LYS 127 -8.686 7.620 -11.530 1049 3HZ LYS 127 3HZ LYS 127 -9.122 8.325 -13.003 1050 H SER 128 H SER 128 -5.491 1.986 -9.651 1051 HA SER 128 HA SER 128 -5.723 -0.626 -10.673 1052 1HB SER 128 2HB SER 128 -3.869 0.350 -9.189 1053 2HB SER 128 1HB SER 128 -4.941 0.008 -7.832 1054 HG SER 128 HG SER 128 -5.001 -2.206 -8.758 1055 H GLU 129 H GLU 129 -7.532 1.125 -8.254 1056 HA GLU 129 HA GLU 129 -8.833 -1.130 -7.109 1057 1HB GLU 129 2HB GLU 129 -8.646 1.042 -5.953 1058 2HB GLU 129 1HB GLU 129 -9.703 1.765 -7.158 1059 1HG GLU 129 2HG GLU 129 -11.223 -0.313 -6.316 1060 2HG GLU 129 1HG GLU 129 -10.344 0.089 -4.841 1061 H ALA 130 H ALA 130 -9.906 1.322 -9.460 1062 HA ALA 130 HA ALA 130 -12.437 0.249 -9.960 1063 1HB ALA 130 1HB ALA 130 -12.605 1.772 -11.675 1064 2HB ALA 130 2HB ALA 130 -10.917 1.589 -12.150 1065 3HB ALA 130 3HB ALA 130 -11.331 2.501 -10.698 1066 H GLN 131 H GLN 131 -9.330 -0.371 -11.551 1067 HA GLN 131 HA GLN 131 -10.284 -2.050 -13.584 1068 1HB GLN 131 2HB GLN 131 -7.605 -1.896 -12.207 1069 2HB GLN 131 1HB GLN 131 -7.915 -2.960 -13.572 1070 1HG GLN 131 2HG GLN 131 -8.818 -0.573 -14.518 1071 2HG GLN 131 1HG GLN 131 -7.471 -0.073 -13.495 1072 1HE2 GLN 131 1HE2 GLN 131 -7.613 0.150 -16.326 1073 2HE2 GLN 131 2HE2 GLN 131 -6.345 -0.819 -16.988 1074 H ALA 132 H ALA 132 -9.140 -2.785 -10.311 1075 HA ALA 132 HA ALA 132 -9.462 -5.608 -10.585 1076 1HB ALA 132 1HB ALA 132 -9.206 -3.924 -8.096 1077 2HB ALA 132 2HB ALA 132 -7.878 -4.661 -8.992 1078 3HB ALA 132 3HB ALA 132 -9.061 -5.680 -8.172 1079 H LYS 133 H LYS 133 -11.535 -2.976 -9.647 1080 HA LYS 133 HA LYS 133 -13.512 -4.589 -8.354 1081 1HB LYS 133 2HB LYS 133 -12.993 -1.945 -8.331 1082 2HB LYS 133 1HB LYS 133 -14.300 -1.979 -9.507 1083 1HG LYS 133 2HG LYS 133 -14.476 -3.192 -6.759 1084 2HG LYS 133 1HG LYS 133 -15.026 -1.565 -7.166 1085 1HD LYS 133 2HD LYS 133 -16.996 -2.539 -7.605 1086 2HD LYS 133 1HD LYS 133 -16.231 -3.087 -9.098 1087 1HE LYS 133 2HE LYS 133 -15.599 -5.176 -8.035 1088 2HE LYS 133 1HE LYS 133 -16.278 -4.625 -6.504 1089 1HZ LYS 133 1HZ LYS 133 -17.944 -5.938 -7.382 1090 2HZ LYS 133 2HZ LYS 133 -17.684 -5.417 -8.970 1091 3HZ LYS 133 3HZ LYS 133 -18.434 -4.390 -7.855 1092 H LYS 134 H LYS 134 -13.298 -3.024 -11.539 1093 HA LYS 134 HA LYS 134 -15.778 -3.894 -12.511 1094 1HB LYS 134 2HB LYS 134 -14.922 -3.352 -14.721 1095 2HB LYS 134 1HB LYS 134 -14.437 -2.117 -13.567 1096 1HG LYS 134 2HG LYS 134 -12.214 -3.155 -13.417 1097 2HG LYS 134 1HG LYS 134 -12.709 -4.347 -14.621 1098 1HD LYS 134 2HD LYS 134 -13.112 -1.518 -15.357 1099 2HD LYS 134 1HD LYS 134 -11.435 -2.050 -15.222 1100 1HE LYS 134 2HE LYS 134 -11.731 -2.689 -17.360 1101 2HE LYS 134 1HE LYS 134 -12.487 -4.101 -16.627 1102 1HZ LYS 134 1HZ LYS 134 -13.719 -2.782 -18.465 1103 2HZ LYS 134 2HZ LYS 134 -14.120 -1.725 -17.206 1104 3HZ LYS 134 3HZ LYS 134 -14.582 -3.350 -17.125 1105 H GLU 135 H GLU 135 -12.568 -5.376 -12.692 1106 HA GLU 135 HA GLU 135 -13.535 -7.631 -14.205 1107 1HB GLU 135 2HB GLU 135 -10.879 -6.961 -12.951 1108 2HB GLU 135 1HB GLU 135 -11.184 -8.508 -13.730 1109 1HG GLU 135 2HG GLU 135 -11.751 -7.300 -15.811 1110 2HG GLU 135 1HG GLU 135 -11.310 -5.790 -15.014 1111 H LYS 136 H LYS 136 -13.174 -6.827 -10.864 1112 HA LYS 136 HA LYS 136 -13.639 -7.960 -8.946 1113 1HB LYS 136 2HB LYS 136 -14.981 -9.933 -10.808 1114 2HB LYS 136 1HB LYS 136 -15.207 -9.845 -9.066 1115 1HG LYS 136 2HG LYS 136 -15.726 -7.330 -10.464 1116 2HG LYS 136 1HG LYS 136 -16.798 -8.653 -10.924 1117 1HD LYS 136 2HD LYS 136 -16.758 -8.914 -8.217 1118 2HD LYS 136 1HD LYS 136 -16.603 -7.165 -8.398 1119 1HE LYS 136 2HE LYS 136 -18.931 -7.683 -8.247 1120 2HE LYS 136 1HE LYS 136 -18.584 -7.220 -9.913 1121 1HZ LYS 136 1HZ LYS 136 -18.846 -9.365 -10.658 1122 2HZ LYS 136 2HZ LYS 136 -20.009 -9.308 -9.431 1123 3HZ LYS 136 3HZ LYS 136 -18.521 -10.061 -9.149 1124 H LEU 137 H LEU 137 -11.174 -8.261 -9.306 1125 HA LEU 137 HA LEU 137 -10.158 -10.790 -10.022 1126 1HB LEU 137 2HB LEU 137 -9.089 -8.454 -8.492 1127 2HB LEU 137 1HB LEU 137 -8.185 -9.955 -8.519 1128 HG LEU 137 HG LEU 137 -9.059 -8.849 -11.135 1129 1HD1 LEU 137 1HD1 LEU 137 -8.197 -6.915 -9.770 1130 2HD1 LEU 137 2HD1 LEU 137 -7.320 -7.250 -11.263 1131 3HD1 LEU 137 3HD1 LEU 137 -6.648 -7.754 -9.712 1132 1HD2 LEU 137 1HD2 LEU 137 -7.778 -11.007 -10.752 1133 2HD2 LEU 137 2HD2 LEU 137 -6.407 -9.992 -10.304 1134 3HD2 LEU 137 3HD2 LEU 137 -7.095 -9.880 -11.925 1135 H ASN 138 H ASN 138 -9.888 -9.456 -6.739 1136 HA ASN 138 HA ASN 138 -10.854 -12.022 -5.679 1137 1HB ASN 138 2HB ASN 138 -8.253 -10.646 -5.117 1138 2HB ASN 138 1HB ASN 138 -9.014 -11.607 -3.853 1139 1HD2 ASN 138 1HD2 ASN 138 -6.535 -12.217 -4.935 1140 2HD2 ASN 138 2HD2 ASN 138 -6.654 -13.707 -5.801 1141 H ILE 139 H ILE 139 -9.496 -9.130 -4.128 1142 HA ILE 139 HA ILE 139 -11.242 -9.009 -2.005 1143 HB ILE 139 HB ILE 139 -10.709 -6.563 -1.889 1144 1HG1 ILE 139 2HG1 ILE 139 -9.173 -7.197 -4.421 1145 2HG1 ILE 139 1HG1 ILE 139 -10.541 -6.098 -4.279 1146 1HG2 ILE 139 1HG2 ILE 139 -8.933 -8.819 -1.717 1147 2HG2 ILE 139 2HG2 ILE 139 -9.039 -7.394 -0.685 1148 3HG2 ILE 139 3HG2 ILE 139 -8.041 -7.357 -2.138 1149 1HD1 ILE 139 1HD1 ILE 139 -8.861 -5.028 -2.462 1150 2HD1 ILE 139 2HD1 ILE 139 -8.934 -4.542 -4.156 1151 3HD1 ILE 139 3HD1 ILE 139 -7.711 -5.694 -3.621 1152 H TRP 140 H TRP 140 -11.614 -7.542 -5.207 1153 HA TRP 140 HA TRP 140 -14.236 -6.500 -4.465 1154 1HB TRP 140 2HB TRP 140 -12.761 -6.260 -7.095 1155 2HB TRP 140 1HB TRP 140 -14.204 -5.372 -6.621 1156 HD1 TRP 140 HD TRP 140 -10.866 -4.550 -7.174 1157 HE1 TRP 140 1HE TRP 140 -9.970 -2.717 -5.604 1158 HE3 TRP 140 3HE TRP 140 -14.441 -4.784 -3.525 1159 HZ2 TRP 140 2HZ TRP 140 -10.684 -1.528 -3.148 1160 HZ3 TRP 140 3HZ TRP 140 -14.261 -3.263 -1.600 1161 HH2 TRP 140 HH TRP 140 -12.420 -1.670 -1.416 1162 H SER 141 H SER 141 -14.273 -9.203 -4.348 1163 HA SER 141 HA SER 141 -15.785 -9.951 -6.766 1164 1HB SER 141 2HB SER 141 -14.009 -11.700 -5.049 1165 2HB SER 141 1HB SER 141 -15.081 -12.311 -6.310 1166 HG SER 141 HG SER 141 -13.050 -10.383 -6.756 1167 H GLU 142 H GLU 142 -16.729 -8.716 -4.287 1168 HA GLU 142 HA GLU 142 -18.954 -10.439 -3.804 1169 1HB GLU 142 2HB GLU 142 -18.544 -10.514 -1.290 1170 2HB GLU 142 1HB GLU 142 -17.584 -11.602 -2.280 1171 1HG GLU 142 2HG GLU 142 -15.797 -10.806 -1.245 1172 2HG GLU 142 1HG GLU 142 -16.051 -9.301 -2.127 1173 H ASP 143 H ASP 143 -18.421 -7.735 -4.690 1174 HA ASP 143 HA ASP 143 -19.502 -6.097 -2.519 1175 1HB ASP 143 2HB ASP 143 -18.022 -5.532 -5.039 1176 2HB ASP 143 1HB ASP 143 -19.152 -4.306 -4.470 1177 H ASN 144 H ASN 144 -21.195 -8.052 -3.706 1178 HA ASN 144 HA ASN 144 -23.086 -6.384 -5.225 1179 1HB ASN 144 2HB ASN 144 -22.104 -8.829 -5.913 1180 2HB ASN 144 1HB ASN 144 -23.585 -9.288 -5.078 1181 1HD2 ASN 144 1HD2 ASN 144 -22.330 -8.588 -8.002 1182 2HD2 ASN 144 2HD2 ASN 144 -23.756 -8.069 -8.826 1183 H ALA 145 H ALA 145 -23.977 -5.376 -3.387 1184 HA ALA 145 HA ALA 145 -24.956 -6.728 -1.125 1185 1HB ALA 145 1HB ALA 145 -25.757 -4.703 -0.433 1186 2HB ALA 145 2HB ALA 145 -26.302 -4.241 -2.046 1187 3HB ALA 145 3HB ALA 145 -24.587 -4.166 -1.638 1188 H ASP 146 H ASP 146 -26.774 -7.835 -0.736 1189 HA ASP 146 HA ASP 146 -28.476 -8.578 -2.899 1190 1HB ASP 146 2HB ASP 146 -28.506 -9.150 0.059 1191 2HB ASP 146 1HB ASP 146 -29.790 -9.715 -1.006 1192 H SER 147 H SER 147 -28.890 -6.553 -0.019 1193 HA SER 147 HA SER 147 -31.488 -5.666 -1.068 1194 1HB SER 147 2HB SER 147 -30.308 -5.407 1.709 1195 2HB SER 147 1HB SER 147 -31.885 -4.786 1.221 1196 HG SER 147 HG SER 147 -32.006 -6.855 2.223 1197 H GLY 148 H GLY 148 -31.999 -3.413 -1.081 1198 1HA GLY 148 2HA GLY 148 -30.907 -1.162 -0.470 1199 2HA GLY 148 1HA GLY 148 -29.609 -1.747 -1.499 1200 H GLN 149 H GLN 149 -30.714 -2.733 -3.668 1201 HA GLN 149 HA GLN 149 -32.188 -0.455 -4.787 1202 1HB GLN 149 2HB GLN 149 -29.901 -1.600 -5.681 1203 2HB GLN 149 1HB GLN 149 -31.088 -2.510 -6.606 1204 1HG GLN 149 2HG GLN 149 -31.320 0.450 -6.532 1205 2HG GLN 149 1HG GLN 149 -30.049 -0.276 -7.515 1206 1HE2 GLN 149 1HE2 GLN 149 -30.659 -1.717 -9.201 1207 2HE2 GLN 149 2HE2 GLN 149 -32.222 -1.608 -9.928 Start of MODEL 14 1 1H ALA 1 1HT ALA 1 21.323 15.981 -14.898 2 2H ALA 1 2HT ALA 1 21.384 14.279 -15.107 3 3H ALA 1 3HT ALA 1 22.242 15.018 -13.817 4 HA ALA 1 HA ALA 1 20.368 15.492 -12.649 5 1HB ALA 1 1HB ALA 1 18.326 15.929 -13.514 6 2HB ALA 1 2HB ALA 1 18.433 14.637 -14.710 7 3HB ALA 1 3HB ALA 1 19.260 16.170 -14.991 8 H THR 2 H THR 2 18.663 13.986 -11.761 9 HA THR 2 HA THR 2 19.354 11.182 -12.347 10 HB THR 2 HB THR 2 18.776 12.362 -9.623 11 HG1 THR 2 1HG THR 2 20.840 12.928 -10.445 12 1HG2 THR 2 1HG2 THR 2 20.106 9.890 -9.445 13 2HG2 THR 2 2HG2 THR 2 18.729 9.665 -10.525 14 3HG2 THR 2 3HG2 THR 2 18.480 10.300 -8.898 15 H SER 3 H SER 3 16.978 12.897 -10.313 16 HA SER 3 HA SER 3 14.875 11.260 -11.567 17 1HB SER 3 2HB SER 3 15.454 11.183 -8.978 18 2HB SER 3 1HB SER 3 14.425 12.615 -8.944 19 HG SER 3 HG SER 3 13.139 10.818 -8.636 20 H THR 4 H THR 4 12.630 12.409 -11.230 21 HA THR 4 HA THR 4 12.818 15.286 -11.684 22 HB THR 4 HB THR 4 11.438 13.423 -13.626 23 HG1 THR 4 1HG THR 4 13.556 13.302 -14.101 24 1HG2 THR 4 1HG2 THR 4 11.968 16.182 -14.425 25 2HG2 THR 4 2HG2 THR 4 10.763 16.007 -13.149 26 3HG2 THR 4 3HG2 THR 4 10.548 15.169 -14.686 27 H LYS 5 H LYS 5 10.590 12.509 -11.618 28 HA LYS 5 HA LYS 5 8.481 14.177 -10.515 29 1HB LYS 5 2HB LYS 5 7.162 12.025 -10.596 30 2HB LYS 5 1HB LYS 5 7.737 12.617 -12.148 31 1HG LYS 5 2HG LYS 5 9.511 10.722 -10.753 32 2HG LYS 5 1HG LYS 5 7.978 10.073 -11.339 33 1HD LYS 5 2HD LYS 5 8.539 10.353 -13.526 34 2HD LYS 5 1HD LYS 5 9.515 11.787 -13.203 35 1HE LYS 5 2HE LYS 5 10.832 9.811 -13.949 36 2HE LYS 5 1HE LYS 5 11.324 10.452 -12.383 37 1HZ LYS 5 1HZ LYS 5 10.648 8.605 -11.315 38 2HZ LYS 5 2HZ LYS 5 10.870 7.878 -12.825 39 3HZ LYS 5 3HZ LYS 5 9.321 8.346 -12.332 40 H LYS 6 H LYS 6 7.250 13.359 -8.605 41 HA LYS 6 HA LYS 6 9.135 12.713 -6.482 42 1HB LYS 6 2HB LYS 6 6.509 14.035 -6.662 43 2HB LYS 6 1HB LYS 6 6.729 13.034 -5.234 44 1HG LYS 6 2HG LYS 6 7.343 15.358 -4.819 45 2HG LYS 6 1HG LYS 6 8.725 14.277 -4.638 46 1HD LYS 6 2HD LYS 6 8.912 14.948 -7.267 47 2HD LYS 6 1HD LYS 6 8.249 16.431 -6.578 48 1HE LYS 6 2HE LYS 6 10.156 15.921 -4.769 49 2HE LYS 6 1HE LYS 6 10.890 15.158 -6.178 50 1HZ LYS 6 1HZ LYS 6 10.407 17.969 -5.631 51 2HZ LYS 6 2HZ LYS 6 10.111 17.476 -7.221 52 3HZ LYS 6 3HZ LYS 6 11.638 17.236 -6.532 53 H LEU 7 H LEU 7 9.497 10.509 -6.908 54 HA LEU 7 HA LEU 7 7.552 8.760 -5.705 55 1HB LEU 7 2HB LEU 7 6.895 8.973 -8.150 56 2HB LEU 7 1HB LEU 7 8.399 8.156 -8.532 57 HG LEU 7 HG LEU 7 7.652 6.196 -7.227 58 1HD1 LEU 7 1HD1 LEU 7 6.153 6.754 -5.627 59 2HD1 LEU 7 2HD1 LEU 7 5.003 6.341 -6.899 60 3HD1 LEU 7 3HD1 LEU 7 5.421 8.028 -6.601 61 1HD2 LEU 7 1HD2 LEU 7 5.400 6.691 -9.084 62 2HD2 LEU 7 2HD2 LEU 7 6.500 5.316 -8.971 63 3HD2 LEU 7 3HD2 LEU 7 7.030 6.810 -9.746 64 H HIS 8 H HIS 8 10.185 9.559 -5.039 65 HA HIS 8 HA HIS 8 11.837 7.220 -5.645 66 1HB HIS 8 2HB HIS 8 12.670 9.662 -5.789 67 2HB HIS 8 1HB HIS 8 12.719 9.601 -4.030 68 HD1 HIS 8 1HD HIS 8 15.227 9.873 -5.974 69 HD2 HIS 8 2HD HIS 8 13.953 6.416 -4.053 70 HE1 HIS 8 1HE HIS 8 17.260 8.398 -5.828 71 HE2 HIS 8 2HE HIS 8 16.445 6.278 -4.736 72 H LYS 9 H LYS 9 11.321 5.558 -4.350 73 HA LYS 9 HA LYS 9 10.554 5.951 -1.599 74 1HB LYS 9 2HB LYS 9 10.475 3.448 -1.557 75 2HB LYS 9 1HB LYS 9 9.457 4.186 -2.786 76 1HG LYS 9 2HG LYS 9 12.049 3.647 -3.877 77 2HG LYS 9 1HG LYS 9 11.397 2.190 -3.124 78 1HD LYS 9 2HD LYS 9 9.766 1.972 -4.666 79 2HD LYS 9 1HD LYS 9 9.485 3.713 -4.760 80 1HE LYS 9 2HE LYS 9 11.692 3.837 -6.023 81 2HE LYS 9 1HE LYS 9 11.589 2.083 -6.156 82 1HZ LYS 9 1HZ LYS 9 10.569 3.737 -7.955 83 2HZ LYS 9 2HZ LYS 9 9.220 3.572 -6.947 84 3HZ LYS 9 3HZ LYS 9 9.924 2.203 -7.649 85 H GLU 10 H GLU 10 11.647 4.865 0.197 86 HA GLU 10 HA GLU 10 14.236 3.814 0.037 87 1HB GLU 10 2HB GLU 10 14.401 6.437 -0.518 88 2HB GLU 10 1HB GLU 10 14.474 6.519 1.236 89 1HG GLU 10 2HG GLU 10 16.403 5.076 1.269 90 2HG GLU 10 1HG GLU 10 16.294 4.842 -0.476 91 H ALA 11 H ALA 11 14.656 2.786 1.893 92 HA ALA 11 HA ALA 11 13.642 3.805 4.414 93 1HB ALA 11 1HB ALA 11 11.733 2.554 3.729 94 2HB ALA 11 2HB ALA 11 12.560 1.619 4.975 95 3HB ALA 11 3HB ALA 11 12.727 1.169 3.278 96 H ALA 12 H ALA 12 14.431 0.420 3.879 97 HA ALA 12 HA ALA 12 17.156 0.377 4.174 98 1HB ALA 12 1HB ALA 12 17.683 0.976 6.244 99 2HB ALA 12 2HB ALA 12 16.584 -0.232 6.905 100 3HB ALA 12 3HB ALA 12 15.996 1.389 6.542 101 H THR 13 H THR 13 14.813 -1.194 6.360 102 HA THR 13 HA THR 13 14.720 -3.586 4.776 103 HB THR 13 HB THR 13 16.235 -3.637 7.393 104 HG1 THR 13 1HG THR 13 17.896 -3.415 6.161 105 1HG2 THR 13 1HG2 THR 13 14.728 -5.692 6.329 106 2HG2 THR 13 2HG2 THR 13 16.036 -5.840 7.505 107 3HG2 THR 13 3HG2 THR 13 16.371 -6.033 5.784 108 H LEU 14 H LEU 14 13.026 -4.884 5.329 109 HA LEU 14 HA LEU 14 11.106 -3.780 7.159 110 1HB LEU 14 2HB LEU 14 10.142 -4.643 5.223 111 2HB LEU 14 1HB LEU 14 11.142 -6.081 5.246 112 HG LEU 14 HG LEU 14 9.417 -5.966 7.579 113 1HD1 LEU 14 1HD1 LEU 14 8.231 -5.352 4.957 114 2HD1 LEU 14 2HD1 LEU 14 7.632 -5.030 6.583 115 3HD1 LEU 14 3HD1 LEU 14 7.443 -6.634 5.875 116 1HD2 LEU 14 1HD2 LEU 14 8.791 -8.216 6.732 117 2HD2 LEU 14 2HD2 LEU 14 10.531 -7.982 6.902 118 3HD2 LEU 14 3HD2 LEU 14 9.783 -7.913 5.307 119 H ILE 15 H ILE 15 10.572 -4.461 9.149 120 HA ILE 15 HA ILE 15 12.337 -6.299 10.496 121 HB ILE 15 HB ILE 15 9.842 -5.033 11.620 122 1HG1 ILE 15 2HG1 ILE 15 11.473 -3.384 10.563 123 2HG1 ILE 15 1HG1 ILE 15 11.077 -3.116 12.255 124 1HG2 ILE 15 1HG2 ILE 15 11.464 -5.163 13.695 125 2HG2 ILE 15 2HG2 ILE 15 12.188 -6.463 12.748 126 3HG2 ILE 15 3HG2 ILE 15 10.485 -6.545 13.201 127 1HD1 ILE 15 1HD1 ILE 15 13.208 -4.336 12.820 128 2HD1 ILE 15 2HD1 ILE 15 13.394 -2.767 12.038 129 3HD1 ILE 15 3HD1 ILE 15 13.606 -4.248 11.104 130 H LYS 16 H LYS 16 8.805 -6.128 10.040 131 HA LYS 16 HA LYS 16 8.468 -8.799 9.291 132 1HB LYS 16 2HB LYS 16 9.140 -8.765 11.907 133 2HB LYS 16 1HB LYS 16 7.396 -8.591 12.044 134 1HG LYS 16 2HG LYS 16 8.682 -10.763 10.417 135 2HG LYS 16 1HG LYS 16 8.308 -10.943 12.131 136 1HD LYS 16 2HD LYS 16 6.123 -11.233 11.733 137 2HD LYS 16 1HD LYS 16 6.071 -9.907 10.570 138 1HE LYS 16 2HE LYS 16 7.159 -12.655 9.977 139 2HE LYS 16 1HE LYS 16 5.518 -12.134 9.602 140 1HZ LYS 16 1HZ LYS 16 7.310 -11.979 7.791 141 2HZ LYS 16 2HZ LYS 16 7.834 -10.600 8.616 142 3HZ LYS 16 3HZ LYS 16 6.261 -10.668 7.997 143 H ALA 17 H ALA 17 6.682 -8.647 8.111 144 HA ALA 17 HA ALA 17 4.786 -6.545 8.486 145 1HB ALA 17 1HB ALA 17 5.314 -7.371 6.261 146 2HB ALA 17 2HB ALA 17 3.594 -7.558 6.602 147 3HB ALA 17 3HB ALA 17 4.667 -8.957 6.680 148 H ILE 18 H ILE 18 2.729 -6.604 9.278 149 HA ILE 18 HA ILE 18 1.936 -9.075 10.678 150 HB ILE 18 HB ILE 18 1.043 -6.276 11.369 151 1HG1 ILE 18 2HG1 ILE 18 3.475 -6.482 11.688 152 2HG1 ILE 18 1HG1 ILE 18 2.634 -6.359 13.230 153 1HG2 ILE 18 1HG2 ILE 18 1.027 -8.465 13.346 154 2HG2 ILE 18 2HG2 ILE 18 -0.133 -8.600 12.024 155 3HG2 ILE 18 3HG2 ILE 18 -0.144 -7.176 13.065 156 1HD1 ILE 18 1HD1 ILE 18 4.183 -8.584 12.086 157 2HD1 ILE 18 2HD1 ILE 18 2.732 -9.022 12.988 158 3HD1 ILE 18 3HD1 ILE 18 3.996 -8.066 13.761 159 H ASP 19 H ASP 19 0.866 -6.338 8.762 160 HA ASP 19 HA ASP 19 -1.407 -7.917 7.820 161 1HB ASP 19 2HB ASP 19 -1.527 -5.334 9.271 162 2HB ASP 19 1HB ASP 19 -2.550 -5.467 7.844 163 H GLY 20 H GLY 20 -2.125 -7.343 5.731 164 1HA GLY 20 2HA GLY 20 -0.243 -6.823 3.829 165 2HA GLY 20 1HA GLY 20 -1.951 -6.505 3.591 166 H ASP 21 H ASP 21 -2.006 -4.432 5.695 167 HA ASP 21 HA ASP 21 -0.610 -2.310 4.200 168 1HB ASP 21 2HB ASP 21 -2.404 -0.802 5.192 169 2HB ASP 21 1HB ASP 21 -2.934 -1.938 3.956 170 H THR 22 H THR 22 -0.399 -4.019 6.995 171 HA THR 22 HA THR 22 0.863 -1.757 8.395 172 HB THR 22 HB THR 22 -0.229 -4.007 10.003 173 HG1 THR 22 1HG THR 22 -1.822 -2.066 8.710 174 1HG2 THR 22 1HG2 THR 22 0.970 -1.936 10.903 175 2HG2 THR 22 2HG2 THR 22 -0.537 -2.428 11.676 176 3HG2 THR 22 3HG2 THR 22 -0.528 -1.080 10.539 177 H VAL 23 H VAL 23 2.982 -2.129 8.125 178 HA VAL 23 HA VAL 23 4.026 -4.723 9.011 179 HB VAL 23 HB VAL 23 5.623 -4.814 7.173 180 1HG1 VAL 23 1HG1 VAL 23 4.196 -5.750 5.641 181 2HG1 VAL 23 2HG1 VAL 23 3.014 -4.449 5.784 182 3HG1 VAL 23 3HG1 VAL 23 3.142 -5.666 7.053 183 1HG2 VAL 23 1HG2 VAL 23 5.526 -3.301 5.293 184 2HG2 VAL 23 2HG2 VAL 23 5.760 -2.375 6.776 185 3HG2 VAL 23 3HG2 VAL 23 4.169 -2.437 6.017 186 H LYS 24 H LYS 24 5.973 -4.648 10.064 187 HA LYS 24 HA LYS 24 6.834 -2.024 10.943 188 1HB LYS 24 2HB LYS 24 7.345 -4.838 11.795 189 2HB LYS 24 1HB LYS 24 8.537 -3.616 12.219 190 1HG LYS 24 2HG LYS 24 6.368 -2.333 13.045 191 2HG LYS 24 1HG LYS 24 5.763 -3.984 13.188 192 1HD LYS 24 2HD LYS 24 6.712 -3.445 15.289 193 2HD LYS 24 1HD LYS 24 7.871 -4.506 14.485 194 1HE LYS 24 2HE LYS 24 9.430 -2.885 14.304 195 2HE LYS 24 1HE LYS 24 8.235 -1.626 13.995 196 1HZ LYS 24 1HZ LYS 24 8.931 -2.788 16.638 197 2HZ LYS 24 2HZ LYS 24 7.691 -1.666 16.380 198 3HZ LYS 24 3HZ LYS 24 9.300 -1.229 16.093 199 H LEU 25 H LEU 25 8.287 -0.911 9.833 200 HA LEU 25 HA LEU 25 10.346 -2.388 8.326 201 1HB LEU 25 2HB LEU 25 8.496 -0.571 7.382 202 2HB LEU 25 1HB LEU 25 9.942 0.402 7.570 203 HG LEU 25 HG LEU 25 10.085 -2.209 6.110 204 1HD1 LEU 25 1HD1 LEU 25 8.520 0.082 5.319 205 2HD1 LEU 25 2HD1 LEU 25 8.679 -1.495 4.547 206 3HD1 LEU 25 3HD1 LEU 25 9.835 -0.214 4.182 207 1HD2 LEU 25 1HD2 LEU 25 12.213 -1.416 6.311 208 2HD2 LEU 25 2HD2 LEU 25 11.701 0.270 6.371 209 3HD2 LEU 25 3HD2 LEU 25 11.739 -0.586 4.829 210 H MET 26 H MET 26 12.456 -1.830 8.524 211 HA MET 26 HA MET 26 13.137 -0.158 10.806 212 1HB MET 26 2HB MET 26 14.126 -2.533 10.051 213 2HB MET 26 1HB MET 26 15.249 -1.486 9.193 214 1HG MET 26 2HG MET 26 15.955 -0.454 11.217 215 2HG MET 26 1HG MET 26 14.679 -1.253 12.135 216 1HE MET 26 1HE MET 26 14.861 -2.897 13.387 217 2HE MET 26 2HE MET 26 16.507 -2.935 14.019 218 3HE MET 26 3HE MET 26 15.823 -4.369 13.251 219 H TYR 27 H TYR 27 13.260 1.957 10.372 220 HA TYR 27 HA TYR 27 14.564 2.796 7.869 221 1HB TYR 27 2HB TYR 27 12.242 3.552 8.081 222 2HB TYR 27 1HB TYR 27 12.619 4.314 9.622 223 HD1 TYR 27 2HD TYR 27 14.071 6.322 9.683 224 HD2 TYR 27 1HD TYR 27 12.775 4.613 6.010 225 HE1 TYR 27 2HE TYR 27 14.672 8.399 8.513 226 HE2 TYR 27 1HE TYR 27 13.372 6.685 4.828 227 HH TYR 27 HH TYR 27 15.342 8.852 5.794 228 H LYS 28 H LYS 28 16.190 4.306 7.903 229 HA LYS 28 HA LYS 28 18.135 5.178 8.704 230 1HB LYS 28 2HB LYS 28 17.841 7.075 10.025 231 2HB LYS 28 1HB LYS 28 16.282 6.871 9.245 232 1HG LYS 28 2HG LYS 28 15.278 6.839 11.216 233 2HG LYS 28 1HG LYS 28 16.243 5.451 11.713 234 1HD LYS 28 2HD LYS 28 18.090 7.146 12.220 235 2HD LYS 28 1HD LYS 28 16.823 8.369 12.100 236 1HE LYS 28 2HE LYS 28 16.195 6.041 13.792 237 2HE LYS 28 1HE LYS 28 17.486 7.085 14.385 238 1HZ LYS 28 1HZ LYS 28 14.694 7.862 13.754 239 2HZ LYS 28 2HZ LYS 28 15.922 8.981 14.074 240 3HZ LYS 28 3HZ LYS 28 15.450 7.880 15.268 241 H GLY 29 H GLY 29 17.443 2.533 9.778 242 1HA GLY 29 2HA GLY 29 18.672 1.104 11.142 243 2HA GLY 29 1HA GLY 29 19.412 2.507 11.898 244 H GLN 30 H GLN 30 15.973 2.498 11.718 245 HA GLN 30 HA GLN 30 15.790 1.494 14.473 246 1HB GLN 30 2HB GLN 30 14.367 3.306 15.142 247 2HB GLN 30 1HB GLN 30 15.833 3.990 14.456 248 1HG GLN 30 2HG GLN 30 14.706 5.072 12.881 249 2HG GLN 30 1HG GLN 30 13.764 3.644 12.460 250 1HE2 GLN 30 1HE2 GLN 30 13.062 6.526 12.837 251 2HE2 GLN 30 2HE2 GLN 30 11.740 6.515 13.949 252 H ALA 31 H ALA 31 14.012 0.298 14.941 253 HA ALA 31 HA ALA 31 12.401 -0.565 12.694 254 1HB ALA 31 1HB ALA 31 12.098 -2.481 13.831 255 2HB ALA 31 2HB ALA 31 11.783 -1.650 15.354 256 3HB ALA 31 3HB ALA 31 13.443 -1.898 14.811 257 H MET 32 H MET 32 10.542 0.362 12.185 258 HA MET 32 HA MET 32 8.801 1.340 14.334 259 1HB MET 32 2HB MET 32 8.246 3.341 13.016 260 2HB MET 32 1HB MET 32 9.946 3.301 13.458 261 1HG MET 32 2HG MET 32 10.262 2.221 11.122 262 2HG MET 32 1HG MET 32 8.677 2.914 10.787 263 1HE MET 32 1HE MET 32 8.223 4.759 9.975 264 2HE MET 32 2HE MET 32 9.351 5.985 9.392 265 3HE MET 32 3HE MET 32 8.565 6.182 10.960 266 H THR 33 H THR 33 6.561 1.402 13.805 267 HA THR 33 HA THR 33 5.795 -0.693 11.984 268 HB THR 33 HB THR 33 3.978 1.127 13.565 269 HG1 THR 33 1HG THR 33 4.115 -0.444 15.191 270 1HG2 THR 33 1HG2 THR 33 2.421 -0.062 12.502 271 2HG2 THR 33 2HG2 THR 33 2.877 -1.352 13.614 272 3HG2 THR 33 3HG2 THR 33 3.569 -1.300 11.993 273 H PHE 34 H PHE 34 5.591 -0.325 9.881 274 HA PHE 34 HA PHE 34 4.812 2.333 8.941 275 1HB PHE 34 2HB PHE 34 6.218 -0.002 7.741 276 2HB PHE 34 1HB PHE 34 5.294 1.035 6.659 277 HD1 PHE 34 1HD PHE 34 8.083 0.959 9.069 278 HD2 PHE 34 2HD PHE 34 6.083 3.171 6.035 279 HE1 PHE 34 1HE PHE 34 9.965 2.543 8.989 280 HE2 PHE 34 2HE PHE 34 7.960 4.758 5.949 281 HZ PHE 34 HZ PHE 34 9.905 4.445 7.427 282 H ARG 35 H ARG 35 3.076 2.664 7.521 283 HA ARG 35 HA ARG 35 1.217 0.435 7.147 284 1HB ARG 35 2HB ARG 35 0.809 2.765 8.859 285 2HB ARG 35 1HB ARG 35 -0.466 2.573 7.665 286 1HG ARG 35 2HG ARG 35 0.202 0.064 8.951 287 2HG ARG 35 1HG ARG 35 -0.283 1.301 10.111 288 1HD ARG 35 2HD ARG 35 -2.120 1.587 8.076 289 2HD ARG 35 1HD ARG 35 -1.873 -0.157 8.154 290 HE ARG 35 HE ARG 35 -2.259 0.921 10.746 291 1HH1 ARG 35 1HH1 ARG 35 -3.985 0.083 7.831 292 2HH1 ARG 35 2HH1 ARG 35 -5.483 -0.199 8.650 293 1HH2 ARG 35 1HH2 ARG 35 -4.229 0.553 11.825 294 2HH2 ARG 35 2HH2 ARG 35 -5.624 0.070 10.918 295 H LEU 36 H LEU 36 0.299 0.402 5.165 296 HA LEU 36 HA LEU 36 1.186 2.151 3.148 297 1HB LEU 36 2HB LEU 36 -1.109 0.199 3.225 298 2HB LEU 36 1HB LEU 36 -0.651 1.082 1.782 299 HG LEU 36 HG LEU 36 1.134 -0.847 3.267 300 1HD1 LEU 36 1HD1 LEU 36 -0.195 -2.355 2.257 301 2HD1 LEU 36 2HD1 LEU 36 0.745 -1.929 0.827 302 3HD1 LEU 36 3HD1 LEU 36 -0.828 -1.183 1.102 303 1HD2 LEU 36 1HD2 LEU 36 2.631 -0.610 1.384 304 2HD2 LEU 36 2HD2 LEU 36 2.329 0.971 2.104 305 3HD2 LEU 36 3HD2 LEU 36 1.521 0.515 0.605 306 H LEU 37 H LEU 37 0.467 4.058 2.445 307 HA LEU 37 HA LEU 37 -1.769 5.293 3.814 308 1HB LEU 37 2HB LEU 37 0.559 6.188 2.287 309 2HB LEU 37 1HB LEU 37 -0.893 7.102 1.926 310 HG LEU 37 HG LEU 37 0.207 6.699 4.706 311 1HD1 LEU 37 1HD1 LEU 37 0.290 9.389 3.619 312 2HD1 LEU 37 2HD1 LEU 37 1.303 8.264 2.714 313 3HD1 LEU 37 3HD1 LEU 37 1.541 8.464 4.450 314 1HD2 LEU 37 1HD2 LEU 37 -2.004 7.181 5.057 315 2HD2 LEU 37 2HD2 LEU 37 -2.153 8.110 3.566 316 3HD2 LEU 37 3HD2 LEU 37 -1.335 8.811 4.962 317 H LEU 38 H LEU 38 -3.691 5.889 2.932 318 HA LEU 38 HA LEU 38 -5.493 5.813 1.548 319 1HB LEU 38 2HB LEU 38 -3.242 6.277 -0.377 320 2HB LEU 38 1HB LEU 38 -4.887 6.090 -0.956 321 HG LEU 38 HG LEU 38 -3.944 8.208 0.978 322 1HD1 LEU 38 1HD1 LEU 38 -3.527 8.116 -1.728 323 2HD1 LEU 38 2HD1 LEU 38 -3.592 9.580 -0.747 324 3HD1 LEU 38 3HD1 LEU 38 -5.032 9.028 -1.601 325 1HD2 LEU 38 1HD2 LEU 38 -6.218 7.678 1.457 326 2HD2 LEU 38 2HD2 LEU 38 -6.633 7.651 -0.258 327 3HD2 LEU 38 3HD2 LEU 38 -6.207 9.175 0.523 328 H VAL 39 H VAL 39 -3.968 3.296 2.205 329 HA VAL 39 HA VAL 39 -5.235 1.614 0.151 330 HB VAL 39 HB VAL 39 -2.557 1.002 1.404 331 1HG1 VAL 39 1HG1 VAL 39 -2.481 -0.747 -0.364 332 2HG1 VAL 39 2HG1 VAL 39 -4.157 -0.359 -0.754 333 3HG1 VAL 39 3HG1 VAL 39 -3.747 -0.998 0.838 334 1HG2 VAL 39 1HG2 VAL 39 -2.895 2.925 -0.441 335 2HG2 VAL 39 2HG2 VAL 39 -2.756 1.520 -1.495 336 3HG2 VAL 39 3HG2 VAL 39 -1.463 1.901 -0.359 337 H ASP 40 H ASP 40 -5.985 -0.411 0.868 338 HA ASP 40 HA ASP 40 -5.882 -0.920 3.750 339 1HB ASP 40 2HB ASP 40 -8.219 -0.048 2.270 340 2HB ASP 40 1HB ASP 40 -8.486 -1.632 2.993 341 H THR 41 H THR 41 -4.891 -2.824 3.817 342 HA THR 41 HA THR 41 -5.809 -4.920 1.963 343 HB THR 41 HB THR 41 -3.097 -4.994 3.224 344 HG1 THR 41 1HG THR 41 -2.717 -3.165 2.247 345 1HG2 THR 41 1HG2 THR 41 -4.355 -6.725 1.562 346 2HG2 THR 41 2HG2 THR 41 -2.606 -6.568 1.719 347 3HG2 THR 41 3HG2 THR 41 -3.453 -5.729 0.420 348 H ALA 42 H ALA 42 -7.371 -5.695 3.373 349 HA ALA 42 HA ALA 42 -8.196 -7.114 4.945 350 1HB ALA 42 1HB ALA 42 -6.452 -8.588 6.136 351 2HB ALA 42 2HB ALA 42 -5.298 -7.861 5.021 352 3HB ALA 42 3HB ALA 42 -6.670 -8.774 4.397 353 H GLU 43 H GLU 43 -7.740 -7.794 7.399 354 HA GLU 43 HA GLU 43 -6.527 -5.807 9.047 355 1HB GLU 43 2HB GLU 43 -8.747 -4.783 8.179 356 2HB GLU 43 1HB GLU 43 -9.520 -5.913 9.282 357 1HG GLU 43 2HG GLU 43 -9.204 -4.512 10.954 358 2HG GLU 43 1HG GLU 43 -7.460 -4.590 10.705 359 H THR 44 H THR 44 -8.941 -8.375 8.798 360 HA THR 44 HA THR 44 -9.377 -10.203 10.062 361 HB THR 44 HB THR 44 -6.947 -10.309 11.637 362 HG1 THR 44 1HG THR 44 -5.518 -10.389 9.859 363 1HG2 THR 44 1HG2 THR 44 -7.818 -11.972 9.288 364 2HG2 THR 44 2HG2 THR 44 -8.256 -12.273 10.969 365 3HG2 THR 44 3HG2 THR 44 -6.569 -12.377 10.465 366 H LYS 45 H LYS 45 -10.778 -8.402 11.085 367 HA LYS 45 HA LYS 45 -11.185 -8.932 13.738 368 1HB LYS 45 2HB LYS 45 -10.365 -6.707 14.744 369 2HB LYS 45 1HB LYS 45 -9.185 -7.981 14.483 370 1HG LYS 45 2HG LYS 45 -7.961 -6.467 13.419 371 2HG LYS 45 1HG LYS 45 -9.145 -6.557 12.114 372 1HD LYS 45 2HD LYS 45 -10.143 -4.591 12.702 373 2HD LYS 45 1HD LYS 45 -9.776 -4.793 14.416 374 1HE LYS 45 2HE LYS 45 -7.317 -4.539 13.024 375 2HE LYS 45 1HE LYS 45 -8.388 -3.257 12.463 376 1HZ LYS 45 1HZ LYS 45 -6.901 -3.066 14.652 377 2HZ LYS 45 2HZ LYS 45 -8.317 -3.690 15.334 378 3HZ LYS 45 3HZ LYS 45 -8.368 -2.245 14.457 379 H HIS 46 H HIS 46 -12.720 -8.456 11.485 380 HA HIS 46 HA HIS 46 -14.613 -6.579 12.519 381 1HB HIS 46 2HB HIS 46 -12.966 -5.099 11.318 382 2HB HIS 46 1HB HIS 46 -13.416 -5.916 9.825 383 HD1 HIS 46 1HD HIS 46 -16.386 -5.610 11.795 384 HD2 HIS 46 2HD HIS 46 -14.211 -3.060 9.341 385 HE1 HIS 46 1HE HIS 46 -17.962 -3.742 11.202 386 HE2 HIS 46 2HE HIS 46 -16.651 -2.257 9.646 387 H THR 47 H THR 47 -13.615 -8.325 9.576 388 HA THR 47 HA THR 47 -16.049 -9.831 9.565 389 HB THR 47 HB THR 47 -15.787 -8.408 6.998 390 HG1 THR 47 1HG THR 47 -16.779 -6.535 7.788 391 1HG2 THR 47 1HG2 THR 47 -17.883 -9.596 8.641 392 2HG2 THR 47 2HG2 THR 47 -17.756 -9.442 6.888 393 3HG2 THR 47 3HG2 THR 47 -18.345 -8.088 7.851 394 H LYS 48 H LYS 48 -14.129 -11.281 9.772 395 HA LYS 48 HA LYS 48 -12.884 -11.861 7.174 396 1HB LYS 48 2HB LYS 48 -11.693 -13.535 9.061 397 2HB LYS 48 1HB LYS 48 -11.011 -12.069 8.379 398 1HG LYS 48 2HG LYS 48 -10.788 -11.766 10.664 399 2HG LYS 48 1HG LYS 48 -12.246 -10.853 10.277 400 1HD LYS 48 2HD LYS 48 -13.621 -12.329 11.350 401 2HD LYS 48 1HD LYS 48 -12.564 -13.707 11.035 402 1HE LYS 48 2HE LYS 48 -11.359 -13.381 12.917 403 2HE LYS 48 1HE LYS 48 -11.453 -11.624 12.798 404 1HZ LYS 48 1HZ LYS 48 -13.605 -13.428 13.765 405 2HZ LYS 48 2HZ LYS 48 -13.745 -11.751 13.602 406 3HZ LYS 48 3HZ LYS 48 -12.656 -12.404 14.720 407 H LYS 49 H LYS 49 -14.423 -13.478 9.929 408 HA LYS 49 HA LYS 49 -15.221 -15.644 10.123 409 1HB LYS 49 2HB LYS 49 -17.273 -15.836 8.583 410 2HB LYS 49 1HB LYS 49 -17.217 -14.515 9.740 411 1HG LYS 49 2HG LYS 49 -17.956 -13.486 7.809 412 2HG LYS 49 1HG LYS 49 -16.225 -13.146 7.794 413 1HD LYS 49 2HD LYS 49 -16.982 -13.843 5.590 414 2HD LYS 49 1HD LYS 49 -15.877 -15.035 6.273 415 1HE LYS 49 2HE LYS 49 -17.449 -16.634 6.328 416 2HE LYS 49 1HE LYS 49 -18.690 -15.523 6.907 417 1HZ LYS 49 1HZ LYS 49 -19.185 -14.844 4.740 418 2HZ LYS 49 2HZ LYS 49 -19.012 -16.523 4.618 419 3HZ LYS 49 3HZ LYS 49 -17.766 -15.504 4.097 420 H GLY 50 H GLY 50 -12.894 -15.755 8.512 421 1HA GLY 50 2HA GLY 50 -12.133 -17.874 7.586 422 2HA GLY 50 1HA GLY 50 -13.658 -17.970 6.717 423 H VAL 51 H VAL 51 -11.489 -15.197 7.043 424 HA VAL 51 HA VAL 51 -10.632 -13.791 5.465 425 HB VAL 51 HB VAL 51 -8.922 -15.519 5.488 426 1HG1 VAL 51 1HG1 VAL 51 -8.932 -17.242 3.648 427 2HG1 VAL 51 2HG1 VAL 51 -10.629 -16.839 3.395 428 3HG1 VAL 51 3HG1 VAL 51 -10.101 -17.495 4.944 429 1HG2 VAL 51 1HG2 VAL 51 -8.579 -15.247 2.735 430 2HG2 VAL 51 2HG2 VAL 51 -7.959 -14.182 3.994 431 3HG2 VAL 51 3HG2 VAL 51 -9.505 -13.830 3.224 432 H GLU 52 H GLU 52 -13.213 -13.798 5.023 433 HA GLU 52 HA GLU 52 -14.005 -14.683 2.432 434 1HB GLU 52 2HB GLU 52 -16.020 -13.327 2.823 435 2HB GLU 52 1HB GLU 52 -15.647 -14.359 4.195 436 1HG GLU 52 2HG GLU 52 -15.386 -12.629 5.571 437 2HG GLU 52 1HG GLU 52 -14.447 -11.714 4.393 438 H LYS 53 H LYS 53 -12.587 -11.757 3.704 439 HA LYS 53 HA LYS 53 -12.733 -10.542 1.025 440 1HB LYS 53 2HB LYS 53 -12.386 -8.377 2.153 441 2HB LYS 53 1HB LYS 53 -13.841 -9.190 2.712 442 1HG LYS 53 2HG LYS 53 -13.115 -8.841 4.777 443 2HG LYS 53 1HG LYS 53 -11.873 -10.054 4.460 444 1HD LYS 53 2HD LYS 53 -10.303 -8.378 3.801 445 2HD LYS 53 1HD LYS 53 -11.547 -7.126 3.821 446 1HE LYS 53 2HE LYS 53 -10.732 -8.690 6.261 447 2HE LYS 53 1HE LYS 53 -9.993 -7.156 5.804 448 1HZ LYS 53 1HZ LYS 53 -11.839 -5.993 6.359 449 2HZ LYS 53 2HZ LYS 53 -12.051 -7.289 7.425 450 3HZ LYS 53 3HZ LYS 53 -12.907 -7.246 5.966 451 H TYR 54 H TYR 54 -10.787 -12.530 1.901 452 HA TYR 54 HA TYR 54 -8.560 -12.948 1.737 453 1HB TYR 54 2HB TYR 54 -8.673 -10.265 0.355 454 2HB TYR 54 1HB TYR 54 -7.191 -11.207 0.478 455 HD1 TYR 54 2HD TYR 54 -10.506 -11.004 -1.063 456 HD2 TYR 54 1HD TYR 54 -6.916 -13.269 -0.779 457 HE1 TYR 54 2HE TYR 54 -11.163 -12.284 -3.057 458 HE2 TYR 54 1HE TYR 54 -7.562 -14.555 -2.772 459 HH TYR 54 HH TYR 54 -10.175 -13.629 -4.791 460 H GLY 55 H GLY 55 -9.380 -12.123 4.205 461 1HA GLY 55 2HA GLY 55 -7.991 -9.923 5.286 462 2HA GLY 55 1HA GLY 55 -8.609 -11.289 6.200 463 H ALA 56 H ALA 56 -7.201 -13.390 5.598 464 HA ALA 56 HA ALA 56 -4.586 -12.794 6.629 465 1HB ALA 56 1HB ALA 56 -6.220 -14.898 6.947 466 2HB ALA 56 2HB ALA 56 -4.476 -14.976 7.204 467 3HB ALA 56 3HB ALA 56 -5.169 -15.527 5.678 468 H GLU 57 H GLU 57 -5.903 -13.986 3.571 469 HA GLU 57 HA GLU 57 -3.540 -14.634 2.268 470 1HB GLU 57 2HB GLU 57 -5.778 -15.137 1.384 471 2HB GLU 57 1HB GLU 57 -6.038 -13.427 1.070 472 1HG GLU 57 2HG GLU 57 -4.849 -13.465 -0.823 473 2HG GLU 57 1HG GLU 57 -3.609 -14.518 -0.142 474 H ALA 58 H ALA 58 -5.002 -11.505 2.835 475 HA ALA 58 HA ALA 58 -3.472 -10.018 0.983 476 1HB ALA 58 1HB ALA 58 -4.027 -8.180 2.866 477 2HB ALA 58 2HB ALA 58 -5.213 -9.416 3.284 478 3HB ALA 58 3HB ALA 58 -5.194 -8.726 1.662 479 H SER 59 H SER 59 -3.027 -10.636 4.456 480 HA SER 59 HA SER 59 -0.678 -9.135 4.770 481 1HB SER 59 2HB SER 59 -0.328 -10.459 6.821 482 2HB SER 59 1HB SER 59 -2.004 -9.927 6.678 483 HG SER 59 HG SER 59 -2.581 -11.937 6.670 484 H ALA 60 H ALA 60 -1.209 -12.450 3.712 485 HA ALA 60 HA ALA 60 1.446 -13.350 3.843 486 1HB ALA 60 1HB ALA 60 0.141 -15.146 3.457 487 2HB ALA 60 2HB ALA 60 0.463 -14.771 1.763 488 3HB ALA 60 3HB ALA 60 -1.033 -14.223 2.519 489 H PHE 61 H PHE 61 -0.365 -11.852 1.178 490 HA PHE 61 HA PHE 61 1.614 -11.956 -0.777 491 1HB PHE 61 2HB PHE 61 -0.676 -11.342 -1.306 492 2HB PHE 61 1HB PHE 61 -0.545 -9.883 -0.331 493 HD1 PHE 61 1HD PHE 61 1.225 -8.159 -1.060 494 HD2 PHE 61 2HD PHE 61 -0.217 -11.275 -3.572 495 HE1 PHE 61 1HE PHE 61 1.971 -6.902 -3.039 496 HE2 PHE 61 2HE PHE 61 0.529 -10.025 -5.557 497 HZ PHE 61 HZ PHE 61 1.624 -7.835 -5.291 498 H THR 62 H THR 62 0.914 -9.371 1.559 499 HA THR 62 HA THR 62 3.122 -7.757 0.734 500 HB THR 62 HB THR 62 1.458 -7.639 3.258 501 HG1 THR 62 1HG THR 62 0.351 -5.998 2.098 502 1HG2 THR 62 1HG2 THR 62 3.729 -6.355 3.100 503 2HG2 THR 62 2HG2 THR 62 2.284 -5.565 3.731 504 3HG2 THR 62 3HG2 THR 62 2.798 -5.266 2.071 505 H LYS 63 H LYS 63 2.597 -10.188 3.193 506 HA LYS 63 HA LYS 63 4.965 -9.656 4.680 507 1HB LYS 63 2HB LYS 63 3.149 -10.786 5.759 508 2HB LYS 63 1HB LYS 63 3.136 -12.051 4.540 509 1HG LYS 63 2HG LYS 63 5.728 -11.972 5.695 510 2HG LYS 63 1HG LYS 63 4.538 -11.974 6.998 511 1HD LYS 63 2HD LYS 63 3.477 -13.851 5.378 512 2HD LYS 63 1HD LYS 63 5.193 -14.064 5.020 513 1HE LYS 63 2HE LYS 63 4.985 -15.479 6.802 514 2HE LYS 63 1HE LYS 63 5.404 -13.988 7.643 515 1HZ LYS 63 1HZ LYS 63 3.587 -14.532 8.836 516 2HZ LYS 63 2HZ LYS 63 2.889 -15.447 7.597 517 3HZ LYS 63 3HZ LYS 63 2.767 -13.761 7.572 518 H LYS 64 H LYS 64 4.154 -11.985 2.130 519 HA LYS 64 HA LYS 64 6.743 -13.212 2.178 520 1HB LYS 64 2HB LYS 64 5.982 -14.438 0.207 521 2HB LYS 64 1HB LYS 64 4.764 -14.467 1.474 522 1HG LYS 64 2HG LYS 64 3.306 -13.821 -0.062 523 2HG LYS 64 1HG LYS 64 4.099 -12.246 -0.038 524 1HD LYS 64 2HD LYS 64 5.052 -12.565 -2.048 525 2HD LYS 64 1HD LYS 64 5.451 -14.249 -1.697 526 1HE LYS 64 2HE LYS 64 2.717 -14.313 -1.900 527 2HE LYS 64 1HE LYS 64 3.159 -13.112 -3.112 528 1HZ LYS 64 1HZ LYS 64 4.862 -14.858 -3.851 529 2HZ LYS 64 2HZ LYS 64 3.239 -15.105 -4.260 530 3HZ LYS 64 3HZ LYS 64 3.925 -15.957 -2.970 531 H MET 65 H MET 65 5.206 -10.670 0.309 532 HA MET 65 HA MET 65 7.222 -10.514 -1.692 533 1HB MET 65 2HB MET 65 4.849 -9.677 -1.892 534 2HB MET 65 1HB MET 65 5.314 -8.328 -0.863 535 1HG MET 65 2HG MET 65 5.597 -7.378 -2.902 536 2HG MET 65 1HG MET 65 7.210 -8.047 -2.660 537 1HE MET 65 1HE MET 65 5.310 -7.143 -5.217 538 2HE MET 65 2HE MET 65 3.938 -8.206 -4.908 539 3HE MET 65 3HE MET 65 4.956 -8.469 -6.323 540 H VAL 66 H VAL 66 6.739 -8.986 1.432 541 HA VAL 66 HA VAL 66 8.845 -7.063 1.046 542 HB VAL 66 HB VAL 66 8.548 -6.526 3.425 543 1HG1 VAL 66 1HG1 VAL 66 6.205 -6.639 1.580 544 2HG1 VAL 66 2HG1 VAL 66 7.141 -5.248 2.127 545 3HG1 VAL 66 3HG1 VAL 66 5.995 -6.025 3.220 546 1HG2 VAL 66 1HG2 VAL 66 6.837 -8.976 3.359 547 2HG2 VAL 66 2HG2 VAL 66 6.481 -7.680 4.499 548 3HG2 VAL 66 3HG2 VAL 66 8.048 -8.489 4.542 549 H GLU 67 H GLU 67 8.521 -10.167 2.711 550 HA GLU 67 HA GLU 67 11.173 -10.050 3.814 551 1HB GLU 67 2HB GLU 67 10.741 -12.353 4.544 552 2HB GLU 67 1HB GLU 67 9.416 -11.279 4.973 553 1HG GLU 67 2HG GLU 67 8.114 -12.864 4.109 554 2HG GLU 67 1HG GLU 67 8.604 -12.205 2.549 555 H ASN 68 H ASN 68 9.661 -11.481 0.984 556 HA ASN 68 HA ASN 68 11.996 -12.997 0.253 557 1HB ASN 68 2HB ASN 68 9.578 -13.581 -0.329 558 2HB ASN 68 1HB ASN 68 9.678 -12.319 -1.552 559 1HD2 ASN 68 1HD2 ASN 68 11.528 -12.518 -3.079 560 2HD2 ASN 68 2HD2 ASN 68 11.945 -14.104 -3.621 561 H ALA 69 H ALA 69 10.734 -9.826 -0.384 562 HA ALA 69 HA ALA 69 12.096 -9.217 -2.754 563 1HB ALA 69 1HB ALA 69 10.790 -7.683 -0.600 564 2HB ALA 69 2HB ALA 69 10.593 -7.582 -2.350 565 3HB ALA 69 3HB ALA 69 11.973 -6.806 -1.571 566 H LYS 70 H LYS 70 13.084 -8.964 0.626 567 HA LYS 70 HA LYS 70 15.186 -9.049 1.541 568 1HB LYS 70 2HB LYS 70 16.351 -8.619 -1.211 569 2HB LYS 70 1HB LYS 70 17.183 -9.193 0.224 570 1HG LYS 70 2HG LYS 70 15.063 -10.658 -1.330 571 2HG LYS 70 1HG LYS 70 16.784 -11.035 -1.262 572 1HD LYS 70 2HD LYS 70 16.123 -11.033 1.380 573 2HD LYS 70 1HD LYS 70 14.639 -11.643 0.647 574 1HE LYS 70 2HE LYS 70 15.581 -13.602 0.091 575 2HE LYS 70 1HE LYS 70 17.078 -12.837 -0.440 576 1HZ LYS 70 1HZ LYS 70 17.920 -12.829 1.725 577 2HZ LYS 70 2HZ LYS 70 17.208 -14.354 1.565 578 3HZ LYS 70 3HZ LYS 70 16.411 -13.137 2.425 579 H LYS 71 H LYS 71 14.291 -6.591 -0.768 580 HA LYS 71 HA LYS 71 15.603 -4.592 0.943 581 1HB LYS 71 2HB LYS 71 16.890 -4.808 -1.122 582 2HB LYS 71 1HB LYS 71 15.434 -4.567 -2.077 583 1HG LYS 71 2HG LYS 71 15.452 -2.336 -0.504 584 2HG LYS 71 1HG LYS 71 17.174 -2.618 -0.772 585 1HD LYS 71 2HD LYS 71 16.695 -2.772 -3.217 586 2HD LYS 71 1HD LYS 71 15.031 -2.297 -2.870 587 1HE LYS 71 2HE LYS 71 16.305 -0.362 -3.560 588 2HE LYS 71 1HE LYS 71 15.864 -0.210 -1.860 589 1HZ LYS 71 1HZ LYS 71 18.001 -0.361 -1.200 590 2HZ LYS 71 2HZ LYS 71 18.318 0.203 -2.763 591 3HZ LYS 71 3HZ LYS 71 18.437 -1.449 -2.421 592 H ILE 72 H ILE 72 14.191 -3.198 1.778 593 HA ILE 72 HA ILE 72 11.672 -2.728 0.322 594 HB ILE 72 HB ILE 72 11.979 -2.692 3.322 595 1HG1 ILE 72 2HG1 ILE 72 10.523 -4.820 3.088 596 2HG1 ILE 72 1HG1 ILE 72 11.120 -4.870 1.432 597 1HG2 ILE 72 1HG2 ILE 72 9.497 -2.759 3.256 598 2HG2 ILE 72 2HG2 ILE 72 9.578 -2.571 1.504 599 3HG2 ILE 72 3HG2 ILE 72 10.183 -1.292 2.556 600 1HD1 ILE 72 1HD1 ILE 72 13.250 -4.522 3.370 601 2HD1 ILE 72 2HD1 ILE 72 13.078 -5.700 2.068 602 3HD1 ILE 72 3HD1 ILE 72 12.318 -5.997 3.631 603 H GLU 73 H GLU 73 11.057 -0.687 -0.008 604 HA GLU 73 HA GLU 73 12.508 1.471 1.368 605 1HB GLU 73 2HB GLU 73 12.007 1.096 -1.569 606 2HB GLU 73 1HB GLU 73 12.212 2.707 -0.898 607 1HG GLU 73 2HG GLU 73 14.392 1.832 0.092 608 2HG GLU 73 1HG GLU 73 14.190 0.459 -0.996 609 H VAL 74 H VAL 74 11.293 3.263 1.928 610 HA VAL 74 HA VAL 74 8.423 3.128 1.273 611 HB VAL 74 HB VAL 74 7.930 4.099 3.473 612 1HG1 VAL 74 1HG1 VAL 74 9.534 1.756 4.248 613 2HG1 VAL 74 2HG1 VAL 74 8.421 1.508 2.903 614 3HG1 VAL 74 3HG1 VAL 74 7.813 2.076 4.458 615 1HG2 VAL 74 1HG2 VAL 74 9.600 5.213 4.459 616 2HG2 VAL 74 2HG2 VAL 74 10.838 4.318 3.579 617 3HG2 VAL 74 3HG2 VAL 74 10.129 3.634 5.042 618 H GLU 75 H GLU 75 7.314 5.073 1.002 619 HA GLU 75 HA GLU 75 8.993 7.479 0.761 620 1HB GLU 75 2HB GLU 75 8.577 6.582 -1.472 621 2HB GLU 75 1HB GLU 75 6.847 6.547 -1.158 622 1HG GLU 75 2HG GLU 75 6.606 8.786 -1.441 623 2HG GLU 75 1HG GLU 75 8.233 9.148 -0.869 624 H PHE 76 H PHE 76 8.304 8.964 2.145 625 HA PHE 76 HA PHE 76 5.565 8.894 3.121 626 1HB PHE 76 2HB PHE 76 8.061 10.337 3.967 627 2HB PHE 76 1HB PHE 76 6.485 10.842 4.570 628 HD1 PHE 76 2HD PHE 76 5.166 9.351 6.000 629 HD2 PHE 76 1HD PHE 76 9.091 8.320 4.717 630 HE1 PHE 76 2HE PHE 76 5.276 7.618 7.741 631 HE2 PHE 76 1HE PHE 76 9.207 6.584 6.456 632 HZ PHE 76 HZ PHE 76 7.298 6.231 7.971 633 H ASP 77 H ASP 77 4.015 10.048 2.210 634 HA ASP 77 HA ASP 77 4.670 12.190 0.369 635 1HB ASP 77 2HB ASP 77 2.723 10.295 0.338 636 2HB ASP 77 1HB ASP 77 1.834 11.659 1.010 637 H LYS 78 H LYS 78 2.449 13.844 0.655 638 HA LYS 78 HA LYS 78 3.330 15.624 2.647 639 1HB LYS 78 2HB LYS 78 1.016 15.496 0.784 640 2HB LYS 78 1HB LYS 78 0.885 16.585 2.158 641 1HG LYS 78 2HG LYS 78 1.720 17.852 0.347 642 2HG LYS 78 1HG LYS 78 3.070 17.589 1.453 643 1HD LYS 78 2HD LYS 78 3.293 15.431 -0.189 644 2HD LYS 78 1HD LYS 78 2.671 16.652 -1.302 645 1HE LYS 78 2HE LYS 78 4.547 18.106 -0.069 646 2HE LYS 78 1HE LYS 78 5.268 16.507 0.109 647 1HZ LYS 78 1HZ LYS 78 4.252 17.162 -2.533 648 2HZ LYS 78 2HZ LYS 78 5.663 16.342 -2.088 649 3HZ LYS 78 3HZ LYS 78 5.614 18.032 -2.032 650 H GLY 79 H GLY 79 0.962 13.062 2.675 651 1HA GLY 79 2HA GLY 79 -0.630 13.748 4.830 652 2HA GLY 79 1HA GLY 79 -0.190 12.099 4.416 653 H GLN 80 H GLN 80 -0.595 13.234 7.051 654 HA GLN 80 HA GLN 80 1.744 13.863 8.408 655 1HB GLN 80 2HB GLN 80 0.564 12.921 10.428 656 2HB GLN 80 1HB GLN 80 -0.338 14.134 9.529 657 1HG GLN 80 2HG GLN 80 -0.829 11.361 8.705 658 2HG GLN 80 1HG GLN 80 -1.340 11.761 10.344 659 1HE2 GLN 80 1HE2 GLN 80 -2.240 14.255 10.198 660 2HE2 GLN 80 2HE2 GLN 80 -3.565 14.386 9.096 661 H ARG 81 H ARG 81 3.408 12.731 9.259 662 HA ARG 81 HA ARG 81 4.095 10.234 8.191 663 1HB ARG 81 2HB ARG 81 5.269 12.176 9.956 664 2HB ARG 81 1HB ARG 81 5.526 10.564 10.608 665 1HG ARG 81 2HG ARG 81 6.335 9.958 8.250 666 2HG ARG 81 1HG ARG 81 6.439 11.701 7.995 667 1HD ARG 81 2HD ARG 81 7.926 11.890 9.930 668 2HD ARG 81 1HD ARG 81 7.820 10.147 10.182 669 HE ARG 81 HE ARG 81 8.740 10.884 7.560 670 1HH1 ARG 81 1HH1 ARG 81 9.698 10.264 10.858 671 2HH1 ARG 81 2HH1 ARG 81 11.330 9.864 10.441 672 1HH2 ARG 81 1HH2 ARG 81 10.886 10.359 7.009 673 2HH2 ARG 81 2HH2 ARG 81 12.005 9.919 8.255 674 H THR 82 H THR 82 2.367 11.113 11.088 675 HA THR 82 HA THR 82 1.777 8.288 11.557 676 HB THR 82 HB THR 82 2.351 8.299 13.830 677 HG1 THR 82 1HG THR 82 1.881 10.027 14.896 678 1HG2 THR 82 1HG2 THR 82 4.422 8.141 12.758 679 2HG2 THR 82 2HG2 THR 82 4.647 9.363 14.009 680 3HG2 THR 82 3HG2 THR 82 4.428 9.852 12.329 681 H ASP 83 H ASP 83 -0.366 8.198 11.359 682 HA ASP 83 HA ASP 83 -2.056 10.456 11.835 683 1HB ASP 83 2HB ASP 83 -3.905 8.774 11.407 684 2HB ASP 83 1HB ASP 83 -2.738 8.977 10.104 685 H LYS 84 H LYS 84 -1.026 10.490 14.145 686 HA LYS 84 HA LYS 84 -1.231 10.209 16.403 687 1HB LYS 84 2HB LYS 84 -4.149 9.969 15.652 688 2HB LYS 84 1HB LYS 84 -3.523 10.387 17.241 689 1HG LYS 84 2HG LYS 84 -2.936 12.031 14.798 690 2HG LYS 84 1HG LYS 84 -4.362 12.292 15.804 691 1HD LYS 84 2HD LYS 84 -3.066 12.895 17.672 692 2HD LYS 84 1HD LYS 84 -1.591 12.233 16.964 693 1HE LYS 84 2HE LYS 84 -1.562 14.660 16.875 694 2HE LYS 84 1HE LYS 84 -1.641 13.984 15.248 695 1HZ LYS 84 1HZ LYS 84 -3.867 15.189 16.795 696 2HZ LYS 84 2HZ LYS 84 -4.079 14.367 15.333 697 3HZ LYS 84 3HZ LYS 84 -3.162 15.787 15.377 698 H TYR 85 H TYR 85 -0.833 7.750 14.838 699 HA TYR 85 HA TYR 85 -1.894 5.849 16.816 700 1HB TYR 85 2HB TYR 85 -2.342 5.887 13.956 701 2HB TYR 85 1HB TYR 85 -1.542 4.396 14.444 702 HD1 TYR 85 2HD TYR 85 -2.634 2.883 16.063 703 HD2 TYR 85 1HD TYR 85 -4.615 6.327 14.547 704 HE1 TYR 85 2HE TYR 85 -4.789 1.970 16.824 705 HE2 TYR 85 1HE TYR 85 -6.774 5.427 15.303 706 HH TYR 85 HH TYR 85 -7.792 3.315 15.873 707 H GLY 86 H GLY 86 0.775 7.303 16.170 708 1HA GLY 86 2HA GLY 86 3.011 6.815 16.322 709 2HA GLY 86 1HA GLY 86 2.504 5.358 17.162 710 H ARG 87 H ARG 87 1.349 5.796 13.946 711 HA ARG 87 HA ARG 87 3.144 3.653 13.053 712 1HB ARG 87 2HB ARG 87 0.339 4.287 12.597 713 2HB ARG 87 1HB ARG 87 1.203 4.000 11.093 714 1HG ARG 87 2HG ARG 87 1.242 1.811 11.439 715 2HG ARG 87 1HG ARG 87 1.879 2.013 13.072 716 1HD ARG 87 2HD ARG 87 -0.604 2.731 13.583 717 2HD ARG 87 1HD ARG 87 -0.940 1.773 12.142 718 HE ARG 87 HE ARG 87 0.719 0.349 13.954 719 1HH1 ARG 87 1HH1 ARG 87 -2.586 1.337 13.424 720 2HH1 ARG 87 2HH1 ARG 87 -3.257 0.009 14.312 721 1HH2 ARG 87 1HH2 ARG 87 -0.161 -1.397 15.122 722 2HH2 ARG 87 2HH2 ARG 87 -1.880 -1.542 15.277 723 H GLY 88 H GLY 88 3.694 3.735 10.666 724 1HA GLY 88 2HA GLY 88 4.563 6.476 10.021 725 2HA GLY 88 1HA GLY 88 5.385 5.011 9.506 726 H LEU 89 H LEU 89 2.480 6.961 9.049 727 HA LEU 89 HA LEU 89 1.330 5.562 6.934 728 1HB LEU 89 2HB LEU 89 1.322 8.478 7.669 729 2HB LEU 89 1HB LEU 89 0.450 7.885 6.269 730 HG LEU 89 HG LEU 89 -0.041 7.173 9.157 731 1HD1 LEU 89 1HD1 LEU 89 -2.388 7.991 8.281 732 2HD1 LEU 89 2HD1 LEU 89 -1.389 8.865 7.120 733 3HD1 LEU 89 3HD1 LEU 89 -1.169 9.132 8.849 734 1HD2 LEU 89 1HD2 LEU 89 -0.370 5.142 8.009 735 2HD2 LEU 89 2HD2 LEU 89 -1.119 5.949 6.632 736 3HD2 LEU 89 3HD2 LEU 89 -1.974 5.855 8.171 737 H ALA 90 H ALA 90 2.059 5.110 4.968 738 HA ALA 90 HA ALA 90 3.059 6.881 3.109 739 1HB ALA 90 1HB ALA 90 5.204 5.683 4.821 740 2HB ALA 90 2HB ALA 90 5.021 7.345 4.260 741 3HB ALA 90 3HB ALA 90 5.519 6.085 3.132 742 H TYR 91 H TYR 91 4.161 5.768 1.240 743 HA TYR 91 HA TYR 91 2.848 3.223 0.802 744 1HB TYR 91 2HB TYR 91 4.582 4.835 -1.082 745 2HB TYR 91 1HB TYR 91 3.543 3.483 -1.518 746 HD1 TYR 91 1HD TYR 91 1.098 3.747 -1.520 747 HD2 TYR 91 2HD TYR 91 3.677 7.029 -0.703 748 HE1 TYR 91 1HE TYR 91 -0.768 5.301 -1.910 749 HE2 TYR 91 2HE TYR 91 1.819 8.593 -1.089 750 HH TYR 91 HH TYR 91 -1.123 7.636 -2.515 751 H ILE 92 H ILE 92 3.823 1.269 0.510 752 HA ILE 92 HA ILE 92 6.650 1.111 1.280 753 HB ILE 92 HB ILE 92 4.599 -1.106 1.179 754 1HG1 ILE 92 2HG1 ILE 92 4.125 0.686 2.873 755 2HG1 ILE 92 1HG1 ILE 92 4.414 -0.906 3.567 756 1HG2 ILE 92 1HG2 ILE 92 6.830 -1.962 0.927 757 2HG2 ILE 92 2HG2 ILE 92 6.259 -2.327 2.556 758 3HG2 ILE 92 3HG2 ILE 92 7.397 -1.005 2.296 759 1HD1 ILE 92 1HD1 ILE 92 5.774 1.566 4.050 760 2HD1 ILE 92 2HD1 ILE 92 6.911 0.343 3.482 761 3HD1 ILE 92 3HD1 ILE 92 5.909 0.026 4.898 762 H TYR 93 H TYR 93 8.170 0.134 0.008 763 HA TYR 93 HA TYR 93 7.284 -0.943 -2.580 764 1HB TYR 93 2HB TYR 93 9.638 0.915 -2.189 765 2HB TYR 93 1HB TYR 93 9.113 0.207 -3.713 766 HD1 TYR 93 1HD TYR 93 8.110 2.558 -1.025 767 HD2 TYR 93 2HD TYR 93 7.444 1.245 -5.017 768 HE1 TYR 93 1HE TYR 93 6.647 4.496 -1.412 769 HE2 TYR 93 2HE TYR 93 5.980 3.179 -5.415 770 HH TYR 93 HH TYR 93 4.497 4.799 -3.463 771 H ALA 94 H ALA 94 8.097 -2.884 -3.006 772 HA ALA 94 HA ALA 94 10.384 -3.815 -1.408 773 1HB ALA 94 1HB ALA 94 7.958 -4.960 -1.617 774 2HB ALA 94 2HB ALA 94 9.437 -5.860 -1.287 775 3HB ALA 94 3HB ALA 94 8.800 -5.783 -2.930 776 H ASP 95 H ASP 95 12.271 -4.011 -2.386 777 HA ASP 95 HA ASP 95 13.845 -3.909 -4.052 778 1HB ASP 95 2HB ASP 95 13.196 -6.340 -3.794 779 2HB ASP 95 1HB ASP 95 12.192 -6.143 -5.228 780 H GLY 96 H GLY 96 11.970 -1.947 -4.550 781 1HA GLY 96 2HA GLY 96 11.622 -0.457 -6.293 782 2HA GLY 96 1HA GLY 96 12.276 -1.651 -7.402 783 H LYS 97 H LYS 97 9.763 -2.761 -5.346 784 HA LYS 97 HA LYS 97 7.839 -2.487 -7.559 785 1HB LYS 97 2HB LYS 97 8.543 -4.802 -7.329 786 2HB LYS 97 1HB LYS 97 8.177 -4.773 -5.609 787 1HG LYS 97 2HG LYS 97 6.224 -5.662 -6.195 788 2HG LYS 97 1HG LYS 97 5.792 -4.031 -6.710 789 1HD LYS 97 2HD LYS 97 5.975 -4.533 -8.916 790 2HD LYS 97 1HD LYS 97 7.294 -5.675 -8.655 791 1HE LYS 97 2HE LYS 97 5.840 -7.341 -8.866 792 2HE LYS 97 1HE LYS 97 5.029 -6.779 -7.404 793 1HZ LYS 97 1HZ LYS 97 3.514 -6.965 -9.295 794 2HZ LYS 97 2HZ LYS 97 4.432 -5.834 -10.157 795 3HZ LYS 97 3HZ LYS 97 3.624 -5.368 -8.746 796 H MET 98 H MET 98 5.815 -1.781 -7.091 797 HA MET 98 HA MET 98 5.413 -0.549 -4.519 798 1HB MET 98 2HB MET 98 4.569 0.018 -7.075 799 2HB MET 98 1HB MET 98 3.111 -0.623 -6.333 800 1HG MET 98 2HG MET 98 2.891 1.126 -4.916 801 2HG MET 98 1HG MET 98 4.629 1.389 -4.790 802 1HE MET 98 1HE MET 98 4.166 4.540 -5.462 803 2HE MET 98 2HE MET 98 3.009 3.523 -4.602 804 3HE MET 98 3HE MET 98 2.485 4.474 -5.992 805 H VAL 99 H VAL 99 4.600 -1.567 -2.822 806 HA VAL 99 HA VAL 99 3.362 -4.131 -3.023 807 HB VAL 99 HB VAL 99 3.420 -2.330 -0.601 808 1HG1 VAL 99 1HG1 VAL 99 3.653 -4.871 0.302 809 2HG1 VAL 99 2HG1 VAL 99 2.636 -5.116 -1.117 810 3HG1 VAL 99 3HG1 VAL 99 2.123 -4.007 0.154 811 1HG2 VAL 99 1HG2 VAL 99 5.521 -4.123 -1.767 812 2HG2 VAL 99 2HG2 VAL 99 5.462 -3.793 -0.035 813 3HG2 VAL 99 3HG2 VAL 99 5.674 -2.467 -1.179 814 H ASN 100 H ASN 100 2.209 -0.847 -2.444 815 HA ASN 100 HA ASN 100 -0.454 -1.540 -1.795 816 1HB ASN 100 2HB ASN 100 -0.925 0.877 -2.454 817 2HB ASN 100 1HB ASN 100 0.259 0.631 -1.173 818 1HD2 ASN 100 1HD2 ASN 100 -0.370 2.092 -4.119 819 2HD2 ASN 100 2HD2 ASN 100 1.237 2.596 -4.507 820 H GLU 101 H GLU 101 1.017 -0.444 -4.851 821 HA GLU 101 HA GLU 101 -1.361 -0.629 -6.368 822 1HB GLU 101 2HB GLU 101 1.469 -0.867 -7.396 823 2HB GLU 101 1HB GLU 101 0.048 -0.392 -8.314 824 1HG GLU 101 2HG GLU 101 1.252 1.158 -6.032 825 2HG GLU 101 1HG GLU 101 1.465 1.515 -7.745 826 H ALA 102 H ALA 102 1.340 -2.875 -5.881 827 HA ALA 102 HA ALA 102 0.508 -4.868 -7.660 828 1HB ALA 102 1HB ALA 102 2.022 -6.327 -6.532 829 2HB ALA 102 2HB ALA 102 1.983 -5.335 -5.074 830 3HB ALA 102 3HB ALA 102 2.741 -4.716 -6.542 831 H LEU 103 H LEU 103 -0.373 -4.234 -4.309 832 HA LEU 103 HA LEU 103 -1.824 -6.648 -3.918 833 1HB LEU 103 2HB LEU 103 -1.761 -4.005 -2.492 834 2HB LEU 103 1HB LEU 103 -2.886 -5.266 -2.022 835 HG LEU 103 HG LEU 103 0.044 -5.866 -2.184 836 1HD1 LEU 103 1HD1 LEU 103 -1.259 -4.850 0.321 837 2HD1 LEU 103 2HD1 LEU 103 -0.417 -3.775 -0.793 838 3HD1 LEU 103 3HD1 LEU 103 0.455 -5.094 -0.013 839 1HD2 LEU 103 1HD2 LEU 103 -2.232 -6.941 -0.522 840 2HD2 LEU 103 2HD2 LEU 103 -0.557 -7.485 -0.434 841 3HD2 LEU 103 3HD2 LEU 103 -1.487 -7.728 -1.914 842 H VAL 104 H VAL 104 -2.885 -3.304 -4.554 843 HA VAL 104 HA VAL 104 -5.625 -3.939 -4.799 844 HB VAL 104 HB VAL 104 -4.170 -1.608 -6.052 845 1HG1 VAL 104 1HG1 VAL 104 -6.268 -0.514 -6.166 846 2HG1 VAL 104 2HG1 VAL 104 -7.052 -1.767 -5.205 847 3HG1 VAL 104 3HG1 VAL 104 -6.508 -2.125 -6.844 848 1HG2 VAL 104 1HG2 VAL 104 -3.842 -1.902 -3.563 849 2HG2 VAL 104 2HG2 VAL 104 -5.576 -1.636 -3.392 850 3HG2 VAL 104 3HG2 VAL 104 -4.552 -0.370 -4.070 851 H ARG 105 H ARG 105 -2.994 -3.709 -7.138 852 HA ARG 105 HA ARG 105 -4.586 -4.017 -9.457 853 1HB ARG 105 2HB ARG 105 -2.195 -3.175 -9.343 854 2HB ARG 105 1HB ARG 105 -1.701 -4.853 -9.166 855 1HG ARG 105 2HG ARG 105 -2.387 -5.406 -11.326 856 2HG ARG 105 1HG ARG 105 -3.390 -3.962 -11.475 857 1HD ARG 105 2HD ARG 105 -0.519 -3.493 -10.994 858 2HD ARG 105 1HD ARG 105 -0.928 -4.207 -12.554 859 HE ARG 105 HE ARG 105 -1.473 -1.524 -11.675 860 1HH1 ARG 105 1HH1 ARG 105 -2.416 -4.066 -13.872 861 2HH1 ARG 105 2HH1 ARG 105 -3.139 -2.982 -15.014 862 1HH2 ARG 105 1HH2 ARG 105 -2.423 -0.097 -13.175 863 2HH2 ARG 105 2HH2 ARG 105 -3.142 -0.729 -14.619 864 H GLN 106 H GLN 106 -3.330 -6.247 -7.120 865 HA GLN 106 HA GLN 106 -3.924 -8.550 -8.815 866 1HB GLN 106 2HB GLN 106 -2.472 -8.158 -6.226 867 2HB GLN 106 1HB GLN 106 -3.104 -9.750 -6.624 868 1HG GLN 106 2HG GLN 106 -1.406 -8.268 -8.584 869 2HG GLN 106 1HG GLN 106 -0.670 -9.148 -7.244 870 1HE2 GLN 106 1HE2 GLN 106 -1.586 -11.436 -6.994 871 2HE2 GLN 106 2HE2 GLN 106 -1.726 -12.350 -8.453 872 H GLY 107 H GLY 107 -5.176 -6.788 -6.089 873 1HA GLY 107 2HA GLY 107 -7.533 -6.905 -5.612 874 2HA GLY 107 1HA GLY 107 -7.497 -8.601 -6.067 875 H LEU 108 H LEU 108 -5.350 -6.794 -3.896 876 HA LEU 108 HA LEU 108 -6.251 -8.540 -1.701 877 1HB LEU 108 2HB LEU 108 -3.490 -7.773 -2.559 878 2HB LEU 108 1HB LEU 108 -3.803 -8.118 -0.868 879 HG LEU 108 HG LEU 108 -2.928 -10.081 -2.023 880 1HD1 LEU 108 1HD1 LEU 108 -5.712 -10.931 -1.627 881 2HD1 LEU 108 2HD1 LEU 108 -5.002 -10.027 -0.290 882 3HD1 LEU 108 3HD1 LEU 108 -4.227 -11.502 -0.866 883 1HD2 LEU 108 1HD2 LEU 108 -3.718 -10.907 -3.970 884 2HD2 LEU 108 2HD2 LEU 108 -4.288 -9.252 -4.189 885 3HD2 LEU 108 3HD2 LEU 108 -5.390 -10.494 -3.592 886 H ALA 109 H ALA 109 -5.424 -5.347 -2.744 887 HA ALA 109 HA ALA 109 -6.119 -4.320 -0.074 888 1HB ALA 109 1HB ALA 109 -4.163 -2.997 -1.940 889 2HB ALA 109 2HB ALA 109 -3.686 -4.078 -0.632 890 3HB ALA 109 3HB ALA 109 -4.521 -2.569 -0.267 891 H LYS 110 H LYS 110 -7.215 -2.304 -0.019 892 HA LYS 110 HA LYS 110 -8.469 -1.533 -2.571 893 1HB LYS 110 2HB LYS 110 -10.528 -1.021 -1.290 894 2HB LYS 110 1HB LYS 110 -10.103 -2.726 -1.248 895 1HG LYS 110 2HG LYS 110 -10.401 -2.577 0.951 896 2HG LYS 110 1HG LYS 110 -8.845 -1.747 0.981 897 1HD LYS 110 2HD LYS 110 -10.203 -0.269 2.130 898 2HD LYS 110 1HD LYS 110 -10.265 0.375 0.488 899 1HE LYS 110 2HE LYS 110 -12.430 -0.291 0.161 900 2HE LYS 110 1HE LYS 110 -12.298 -1.643 1.286 901 1HZ LYS 110 1HZ LYS 110 -12.629 -0.271 3.102 902 2HZ LYS 110 2HZ LYS 110 -13.688 0.387 1.958 903 3HZ LYS 110 3HZ LYS 110 -12.203 1.137 2.266 904 H VAL 111 H VAL 111 -9.713 0.693 -2.106 905 HA VAL 111 HA VAL 111 -7.612 2.567 -1.492 906 HB VAL 111 HB VAL 111 -10.486 3.185 -2.178 907 1HG1 VAL 111 1HG1 VAL 111 -9.026 5.194 -3.211 908 2HG1 VAL 111 2HG1 VAL 111 -8.031 4.778 -1.816 909 3HG1 VAL 111 3HG1 VAL 111 -9.722 5.227 -1.591 910 1HG2 VAL 111 1HG2 VAL 111 -9.209 1.694 -3.823 911 2HG2 VAL 111 2HG2 VAL 111 -8.220 3.118 -4.145 912 3HG2 VAL 111 3HG2 VAL 111 -9.956 3.160 -4.457 913 H ALA 112 H ALA 112 -7.210 3.332 0.466 914 HA ALA 112 HA ALA 112 -9.316 3.223 2.504 915 1HB ALA 112 1HB ALA 112 -7.098 2.131 2.922 916 2HB ALA 112 2HB ALA 112 -7.591 3.303 4.144 917 3HB ALA 112 3HB ALA 112 -6.382 3.743 2.938 918 H TYR 113 H TYR 113 -8.409 5.109 4.284 919 HA TYR 113 HA TYR 113 -8.543 7.638 2.783 920 1HB TYR 113 2HB TYR 113 -9.967 7.200 5.405 921 2HB TYR 113 1HB TYR 113 -10.159 8.535 4.274 922 HD1 TYR 113 1HD TYR 113 -11.362 8.170 2.131 923 HD2 TYR 113 2HD TYR 113 -11.175 5.163 5.135 924 HE1 TYR 113 1HE TYR 113 -13.242 6.998 1.065 925 HE2 TYR 113 2HE TYR 113 -13.055 3.981 4.076 926 HH TYR 113 HH TYR 113 -15.080 5.337 1.885 927 H VAL 114 H VAL 114 -7.076 9.114 3.354 928 HA VAL 114 HA VAL 114 -5.334 8.520 5.623 929 HB VAL 114 HB VAL 114 -4.276 8.965 3.451 930 1HG1 VAL 114 1HG1 VAL 114 -6.192 10.890 3.135 931 2HG1 VAL 114 2HG1 VAL 114 -4.748 10.718 2.138 932 3HG1 VAL 114 3HG1 VAL 114 -4.755 11.849 3.491 933 1HG2 VAL 114 1HG2 VAL 114 -3.613 11.284 5.233 934 2HG2 VAL 114 2HG2 VAL 114 -2.531 10.273 4.275 935 3HG2 VAL 114 3HG2 VAL 114 -3.280 9.626 5.734 936 H TYR 115 H TYR 115 -8.098 10.233 5.200 937 HA TYR 115 HA TYR 115 -9.165 11.749 6.528 938 1HB TYR 115 2HB TYR 115 -6.632 12.145 8.111 939 2HB TYR 115 1HB TYR 115 -8.297 12.376 8.635 940 HD1 TYR 115 2HD TYR 115 -9.718 10.026 8.170 941 HD2 TYR 115 1HD TYR 115 -5.594 10.381 9.151 942 HE1 TYR 115 2HE TYR 115 -9.747 7.746 9.090 943 HE2 TYR 115 1HE TYR 115 -5.610 8.101 10.073 944 HH TYR 115 HH TYR 115 -8.494 6.379 10.665 945 H LYS 116 H LYS 116 -5.760 12.812 6.266 946 HA LYS 116 HA LYS 116 -6.292 14.842 4.389 947 1HB LYS 116 2HB LYS 116 -5.954 16.813 5.879 948 2HB LYS 116 1HB LYS 116 -7.472 15.969 6.157 949 1HG LYS 116 2HG LYS 116 -6.912 15.379 8.246 950 2HG LYS 116 1HG LYS 116 -5.232 15.052 7.814 951 1HD LYS 116 2HD LYS 116 -6.064 17.885 7.747 952 2HD LYS 116 1HD LYS 116 -6.004 17.133 9.342 953 1HE LYS 116 2HE LYS 116 -3.844 17.826 9.208 954 2HE LYS 116 1HE LYS 116 -3.672 16.263 8.412 955 1HZ LYS 116 1HZ LYS 116 -4.167 17.611 6.288 956 2HZ LYS 116 2HZ LYS 116 -2.620 17.696 6.967 957 3HZ LYS 116 3HZ LYS 116 -3.722 18.954 7.217 958 H GLY 117 H GLY 117 -4.410 16.106 3.871 959 1HA GLY 117 2HA GLY 117 -2.108 16.691 4.263 960 2HA GLY 117 1HA GLY 117 -1.930 15.199 5.174 961 H ASN 118 H ASN 118 -3.138 13.427 3.351 962 HA ASN 118 HA ASN 118 -1.085 13.397 1.266 963 1HB ASN 118 2HB ASN 118 -1.567 11.474 3.025 964 2HB ASN 118 1HB ASN 118 -2.807 11.028 1.858 965 1HD2 ASN 118 1HD2 ASN 118 -1.071 9.159 2.180 966 2HD2 ASN 118 2HD2 ASN 118 0.106 9.092 0.917 967 H ASN 119 H ASN 119 -2.852 11.278 -0.051 968 HA ASN 119 HA ASN 119 -4.516 11.117 -1.610 969 1HB ASN 119 2HB ASN 119 -5.717 12.746 0.093 970 2HB ASN 119 1HB ASN 119 -5.429 13.931 -1.176 971 1HD2 ASN 119 1HD2 ASN 119 -6.767 10.705 -0.629 972 2HD2 ASN 119 2HD2 ASN 119 -8.017 10.831 -1.815 973 H THR 120 H THR 120 -1.897 11.906 -2.221 974 HA THR 120 HA THR 120 -2.169 13.973 -4.273 975 HB THR 120 HB THR 120 0.321 12.488 -3.419 976 HG1 THR 120 1HG THR 120 -0.103 13.591 -1.647 977 1HG2 THR 120 1HG2 THR 120 1.035 13.494 -5.316 978 2HG2 THR 120 2HG2 THR 120 1.233 14.845 -4.200 979 3HG2 THR 120 3HG2 THR 120 -0.189 14.761 -5.240 980 H HIS 121 H HIS 121 -1.448 10.546 -3.899 981 HA HIS 121 HA HIS 121 -1.494 10.250 -6.827 982 1HB HIS 121 2HB HIS 121 -0.366 8.375 -4.738 983 2HB HIS 121 1HB HIS 121 -0.330 8.110 -6.478 984 HD1 HIS 121 1HD HIS 121 1.076 10.011 -7.848 985 HD2 HIS 121 2HD HIS 121 1.803 9.690 -3.770 986 HE1 HIS 121 1HE HIS 121 3.282 11.156 -7.466 987 HE2 HIS 121 2HE HIS 121 3.668 11.008 -4.981 988 H GLU 122 H GLU 122 -3.757 10.364 -4.768 989 HA GLU 122 HA GLU 122 -4.991 7.964 -4.332 990 1HB GLU 122 2HB GLU 122 -5.846 10.122 -3.529 991 2HB GLU 122 1HB GLU 122 -6.320 10.546 -5.169 992 1HG GLU 122 2HG GLU 122 -8.305 9.830 -4.284 993 2HG GLU 122 1HG GLU 122 -7.710 8.357 -5.047 994 H GLN 123 H GLN 123 -4.739 9.725 -7.348 995 HA GLN 123 HA GLN 123 -6.713 8.358 -8.803 996 1HB GLN 123 2HB GLN 123 -5.449 9.104 -10.814 997 2HB GLN 123 1HB GLN 123 -5.778 10.398 -9.669 998 1HG GLN 123 2HG GLN 123 -3.378 9.712 -8.781 999 2HG GLN 123 1HG GLN 123 -3.206 9.153 -10.444 1000 1HE2 GLN 123 1HE2 GLN 123 -3.128 11.806 -8.357 1001 2HE2 GLN 123 2HE2 GLN 123 -2.966 13.050 -9.544 1002 H LEU 124 H LEU 124 -3.214 7.747 -8.539 1003 HA LEU 124 HA LEU 124 -3.031 5.568 -10.238 1004 1HB LEU 124 2HB LEU 124 -1.507 5.821 -7.652 1005 2HB LEU 124 1HB LEU 124 -1.001 4.995 -9.112 1006 HG LEU 124 HG LEU 124 -1.260 7.975 -8.721 1007 1HD1 LEU 124 1HD1 LEU 124 1.056 8.068 -8.787 1008 2HD1 LEU 124 2HD1 LEU 124 1.201 6.467 -9.511 1009 3HD1 LEU 124 3HD1 LEU 124 0.745 6.630 -7.816 1010 1HD2 LEU 124 1HD2 LEU 124 -1.924 7.697 -10.931 1011 2HD2 LEU 124 2HD2 LEU 124 -0.848 6.322 -11.184 1012 3HD2 LEU 124 3HD2 LEU 124 -0.183 7.951 -11.063 1013 H LEU 125 H LEU 125 -3.671 5.552 -6.735 1014 HA LEU 125 HA LEU 125 -3.933 2.771 -6.473 1015 1HB LEU 125 2HB LEU 125 -5.333 4.887 -4.840 1016 2HB LEU 125 1HB LEU 125 -5.022 3.229 -4.359 1017 HG LEU 125 HG LEU 125 -2.494 4.067 -4.850 1018 1HD1 LEU 125 1HD1 LEU 125 -2.191 6.267 -4.733 1019 2HD1 LEU 125 2HD1 LEU 125 -3.254 6.413 -3.333 1020 3HD1 LEU 125 3HD1 LEU 125 -3.931 6.431 -4.960 1021 1HD2 LEU 125 1HD2 LEU 125 -2.723 3.028 -2.847 1022 2HD2 LEU 125 2HD2 LEU 125 -4.203 3.894 -2.439 1023 3HD2 LEU 125 3HD2 LEU 125 -2.639 4.689 -2.264 1024 H ARG 126 H ARG 126 -6.118 5.208 -7.635 1025 HA ARG 126 HA ARG 126 -8.496 3.637 -7.401 1026 1HB ARG 126 2HB ARG 126 -7.754 6.240 -8.635 1027 2HB ARG 126 1HB ARG 126 -9.197 5.442 -9.244 1028 1HG ARG 126 2HG ARG 126 -9.543 5.271 -6.537 1029 2HG ARG 126 1HG ARG 126 -8.739 6.831 -6.720 1030 1HD ARG 126 2HD ARG 126 -10.762 7.653 -7.182 1031 2HD ARG 126 1HD ARG 126 -10.606 6.848 -8.743 1032 HE ARG 126 HE ARG 126 -12.164 5.306 -8.072 1033 1HH1 ARG 126 1HH1 ARG 126 -11.073 7.110 -5.290 1034 2HH1 ARG 126 2HH1 ARG 126 -12.278 6.450 -4.234 1035 1HH2 ARG 126 1HH2 ARG 126 -13.748 4.439 -6.685 1036 2HH2 ARG 126 2HH2 ARG 126 -13.795 4.934 -5.026 1037 H LYS 127 H LYS 127 -6.174 4.306 -9.984 1038 HA LYS 127 HA LYS 127 -7.536 3.089 -12.098 1039 1HB LYS 127 2HB LYS 127 -4.543 3.144 -11.678 1040 2HB LYS 127 1HB LYS 127 -5.380 2.929 -13.208 1041 1HG LYS 127 2HG LYS 127 -5.290 5.406 -11.507 1042 2HG LYS 127 1HG LYS 127 -4.575 5.168 -13.100 1043 1HD LYS 127 2HD LYS 127 -6.464 6.243 -13.751 1044 2HD LYS 127 1HD LYS 127 -7.118 4.604 -13.696 1045 1HE LYS 127 2HE LYS 127 -7.282 5.736 -11.088 1046 2HE LYS 127 1HE LYS 127 -7.947 6.893 -12.240 1047 1HZ LYS 127 1HZ LYS 127 -9.056 4.614 -13.085 1048 2HZ LYS 127 2HZ LYS 127 -9.793 5.668 -11.986 1049 3HZ LYS 127 3HZ LYS 127 -8.961 4.306 -11.425 1050 H SER 128 H SER 128 -5.164 1.713 -9.834 1051 HA SER 128 HA SER 128 -5.268 -0.906 -10.912 1052 1HB SER 128 2HB SER 128 -4.415 -1.370 -8.402 1053 2HB SER 128 1HB SER 128 -3.368 -0.708 -9.658 1054 HG SER 128 HG SER 128 -3.176 0.617 -7.900 1055 H GLU 129 H GLU 129 -7.058 0.748 -8.380 1056 HA GLU 129 HA GLU 129 -8.360 -1.562 -7.356 1057 1HB GLU 129 2HB GLU 129 -8.105 0.636 -6.158 1058 2HB GLU 129 1HB GLU 129 -9.335 1.294 -7.228 1059 1HG GLU 129 2HG GLU 129 -10.620 -0.886 -6.312 1060 2HG GLU 129 1HG GLU 129 -9.594 -0.516 -4.926 1061 H ALA 130 H ALA 130 -9.303 0.928 -9.700 1062 HA ALA 130 HA ALA 130 -11.914 0.044 -10.174 1063 1HB ALA 130 1HB ALA 130 -11.555 1.173 -12.448 1064 2HB ALA 130 2HB ALA 130 -9.954 1.588 -11.837 1065 3HB ALA 130 3HB ALA 130 -11.395 2.165 -10.998 1066 H GLN 131 H GLN 131 -8.858 -0.858 -11.728 1067 HA GLN 131 HA GLN 131 -9.930 -2.504 -13.730 1068 1HB GLN 131 2HB GLN 131 -7.259 -2.597 -12.321 1069 2HB GLN 131 1HB GLN 131 -7.655 -3.579 -13.725 1070 1HG GLN 131 2HG GLN 131 -8.205 -0.754 -14.133 1071 2HG GLN 131 1HG GLN 131 -6.514 -1.081 -13.755 1072 1HE2 GLN 131 1HE2 GLN 131 -9.046 -2.696 -15.653 1073 2HE2 GLN 131 2HE2 GLN 131 -8.096 -2.878 -17.084 1074 H ALA 132 H ALA 132 -8.841 -3.262 -10.440 1075 HA ALA 132 HA ALA 132 -9.388 -6.050 -10.637 1076 1HB ALA 132 1HB ALA 132 -9.096 -6.039 -8.177 1077 2HB ALA 132 2HB ALA 132 -8.996 -4.279 -8.227 1078 3HB ALA 132 3HB ALA 132 -7.771 -5.255 -9.037 1079 H LYS 133 H LYS 133 -11.279 -3.249 -9.808 1080 HA LYS 133 HA LYS 133 -13.399 -4.712 -8.542 1081 1HB LYS 133 2HB LYS 133 -12.656 -2.110 -8.492 1082 2HB LYS 133 1HB LYS 133 -13.973 -2.036 -9.655 1083 1HG LYS 133 2HG LYS 133 -14.193 -3.225 -6.898 1084 2HG LYS 133 1HG LYS 133 -14.675 -1.584 -7.331 1085 1HD LYS 133 2HD LYS 133 -16.689 -2.466 -7.751 1086 2HD LYS 133 1HD LYS 133 -15.956 -3.107 -9.223 1087 1HE LYS 133 2HE LYS 133 -15.648 -5.220 -8.298 1088 2HE LYS 133 1HE LYS 133 -15.781 -4.620 -6.645 1089 1HZ LYS 133 1HZ LYS 133 -18.095 -4.413 -8.447 1090 2HZ LYS 133 2HZ LYS 133 -18.057 -4.540 -6.761 1091 3HZ LYS 133 3HZ LYS 133 -17.743 -5.899 -7.718 1092 H LYS 134 H LYS 134 -13.048 -3.059 -11.676 1093 HA LYS 134 HA LYS 134 -15.555 -3.712 -12.710 1094 1HB LYS 134 2HB LYS 134 -14.625 -3.205 -14.892 1095 2HB LYS 134 1HB LYS 134 -14.029 -2.049 -13.708 1096 1HG LYS 134 2HG LYS 134 -11.919 -3.283 -13.572 1097 2HG LYS 134 1HG LYS 134 -12.517 -4.424 -14.778 1098 1HD LYS 134 2HD LYS 134 -12.667 -1.578 -15.527 1099 2HD LYS 134 1HD LYS 134 -11.040 -2.241 -15.367 1100 1HE LYS 134 2HE LYS 134 -12.146 -4.208 -16.785 1101 2HE LYS 134 1HE LYS 134 -13.176 -2.881 -17.321 1102 1HZ LYS 134 1HZ LYS 134 -10.318 -2.355 -17.312 1103 2HZ LYS 134 2HZ LYS 134 -11.497 -1.914 -18.441 1104 3HZ LYS 134 3HZ LYS 134 -10.855 -3.479 -18.457 1105 H GLU 135 H GLU 135 -12.487 -5.478 -12.884 1106 HA GLU 135 HA GLU 135 -13.755 -7.655 -14.338 1107 1HB GLU 135 2HB GLU 135 -10.910 -7.247 -13.407 1108 2HB GLU 135 1HB GLU 135 -11.464 -8.650 -14.310 1109 1HG GLU 135 2HG GLU 135 -12.228 -6.206 -15.630 1110 2HG GLU 135 1HG GLU 135 -10.491 -6.255 -15.335 1111 H LYS 136 H LYS 136 -13.116 -6.805 -11.093 1112 HA LYS 136 HA LYS 136 -13.398 -7.896 -9.119 1113 1HB LYS 136 2HB LYS 136 -14.742 -10.122 -10.638 1114 2HB LYS 136 1HB LYS 136 -15.040 -9.594 -8.988 1115 1HG LYS 136 2HG LYS 136 -15.520 -7.432 -10.811 1116 2HG LYS 136 1HG LYS 136 -16.428 -8.861 -11.305 1117 1HD LYS 136 2HD LYS 136 -16.574 -8.475 -8.447 1118 2HD LYS 136 1HD LYS 136 -17.108 -7.032 -9.309 1119 1HE LYS 136 2HE LYS 136 -19.080 -8.158 -9.282 1120 2HE LYS 136 1HE LYS 136 -18.400 -8.857 -10.751 1121 1HZ LYS 136 1HZ LYS 136 -17.710 -10.203 -8.273 1122 2HZ LYS 136 2HZ LYS 136 -18.124 -10.851 -9.779 1123 3HZ LYS 136 3HZ LYS 136 -19.336 -10.307 -8.732 1124 H LEU 137 H LEU 137 -10.997 -8.159 -9.447 1125 HA LEU 137 HA LEU 137 -9.920 -10.641 -10.269 1126 1HB LEU 137 2HB LEU 137 -8.899 -8.260 -8.802 1127 2HB LEU 137 1HB LEU 137 -7.958 -9.739 -8.733 1128 HG LEU 137 HG LEU 137 -8.721 -8.221 -11.227 1129 1HD1 LEU 137 1HD1 LEU 137 -6.142 -8.152 -11.355 1130 2HD1 LEU 137 2HD1 LEU 137 -6.210 -8.485 -9.624 1131 3HD1 LEU 137 3HD1 LEU 137 -6.975 -7.035 -10.274 1132 1HD2 LEU 137 1HD2 LEU 137 -7.576 -10.929 -10.795 1133 2HD2 LEU 137 2HD2 LEU 137 -6.950 -9.959 -12.128 1134 3HD2 LEU 137 3HD2 LEU 137 -8.668 -10.349 -12.052 1135 H ASN 138 H ASN 138 -9.584 -9.366 -6.967 1136 HA ASN 138 HA ASN 138 -10.369 -12.017 -5.954 1137 1HB ASN 138 2HB ASN 138 -7.919 -10.407 -5.366 1138 2HB ASN 138 1HB ASN 138 -8.599 -11.414 -4.092 1139 1HD2 ASN 138 1HD2 ASN 138 -7.795 -11.620 -7.543 1140 2HD2 ASN 138 2HD2 ASN 138 -7.107 -13.201 -7.462 1141 H ILE 139 H ILE 139 -9.298 -9.107 -4.238 1142 HA ILE 139 HA ILE 139 -11.161 -9.218 -2.209 1143 HB ILE 139 HB ILE 139 -10.745 -6.774 -1.891 1144 1HG1 ILE 139 2HG1 ILE 139 -9.050 -7.141 -4.371 1145 2HG1 ILE 139 1HG1 ILE 139 -10.493 -6.142 -4.242 1146 1HG2 ILE 139 1HG2 ILE 139 -9.133 -7.695 -0.660 1147 2HG2 ILE 139 2HG2 ILE 139 -8.045 -7.356 -2.005 1148 3HG2 ILE 139 3HG2 ILE 139 -8.812 -8.938 -1.870 1149 1HD1 ILE 139 1HD1 ILE 139 -9.090 -4.469 -3.835 1150 2HD1 ILE 139 2HD1 ILE 139 -7.745 -5.562 -3.507 1151 3HD1 ILE 139 3HD1 ILE 139 -8.900 -5.175 -2.231 1152 H TRP 140 H TRP 140 -11.448 -7.665 -5.364 1153 HA TRP 140 HA TRP 140 -14.112 -6.680 -4.699 1154 1HB TRP 140 2HB TRP 140 -12.527 -6.371 -7.256 1155 2HB TRP 140 1HB TRP 140 -14.026 -5.540 -6.857 1156 HD1 TRP 140 HD TRP 140 -10.676 -4.613 -7.198 1157 HE1 TRP 140 1HE TRP 140 -9.945 -2.760 -5.569 1158 HE3 TRP 140 3HE TRP 140 -14.482 -4.964 -3.799 1159 HZ2 TRP 140 2HZ TRP 140 -10.858 -1.598 -3.166 1160 HZ3 TRP 140 3HZ TRP 140 -14.477 -3.444 -1.864 1161 HH2 TRP 140 HH TRP 140 -12.701 -1.797 -1.555 1162 H SER 141 H SER 141 -13.995 -9.439 -4.684 1163 HA SER 141 HA SER 141 -15.491 -10.128 -7.129 1164 1HB SER 141 2HB SER 141 -13.176 -11.253 -6.692 1165 2HB SER 141 1HB SER 141 -14.058 -12.205 -5.499 1166 HG SER 141 HG SER 141 -15.015 -13.266 -7.051 1167 H GLU 142 H GLU 142 -16.568 -9.010 -4.705 1168 HA GLU 142 HA GLU 142 -18.639 -10.939 -4.229 1169 1HB GLU 142 2HB GLU 142 -18.304 -10.794 -1.692 1170 2HB GLU 142 1HB GLU 142 -17.239 -11.864 -2.591 1171 1HG GLU 142 2HG GLU 142 -15.472 -10.814 -1.787 1172 2HG GLU 142 1HG GLU 142 -16.033 -9.295 -2.484 1173 H ASP 143 H ASP 143 -18.331 -8.212 -5.232 1174 HA ASP 143 HA ASP 143 -19.943 -6.753 -3.244 1175 1HB ASP 143 2HB ASP 143 -17.838 -5.893 -5.153 1176 2HB ASP 143 1HB ASP 143 -19.193 -4.792 -4.924 1177 H ASN 144 H ASN 144 -19.503 -6.294 -6.737 1178 HA ASN 144 HA ASN 144 -21.986 -7.307 -7.549 1179 1HB ASN 144 2HB ASN 144 -22.885 -5.451 -6.188 1180 2HB ASN 144 1HB ASN 144 -21.967 -4.306 -7.161 1181 1HD2 ASN 144 1HD2 ASN 144 -24.054 -7.099 -7.837 1182 2HD2 ASN 144 2HD2 ASN 144 -25.060 -6.282 -8.980 1183 H ALA 145 H ALA 145 -22.512 -6.731 -9.795 1184 HA ALA 145 HA ALA 145 -20.851 -5.117 -11.391 1185 1HB ALA 145 1HB ALA 145 -19.577 -6.845 -12.585 1186 2HB ALA 145 2HB ALA 145 -20.169 -8.054 -11.447 1187 3HB ALA 145 3HB ALA 145 -19.128 -6.748 -10.884 1188 H ASP 146 H ASP 146 -22.580 -8.231 -11.466 1189 HA ASP 146 HA ASP 146 -23.899 -7.367 -13.946 1190 1HB ASP 146 2HB ASP 146 -23.537 -10.108 -12.726 1191 2HB ASP 146 1HB ASP 146 -24.550 -9.797 -14.132 1192 H SER 147 H SER 147 -26.043 -7.016 -14.024 1193 HA SER 147 HA SER 147 -27.522 -7.188 -11.511 1194 1HB SER 147 2HB SER 147 -27.390 -5.173 -13.305 1195 2HB SER 147 1HB SER 147 -28.812 -6.021 -13.913 1196 HG SER 147 HG SER 147 -29.531 -5.939 -11.624 1197 H GLY 148 H GLY 148 -27.475 -8.519 -14.743 1198 1HA GLY 148 2HA GLY 148 -30.046 -9.810 -14.468 1199 2HA GLY 148 1HA GLY 148 -28.919 -10.000 -15.802 1200 H GLN 149 H GLN 149 -26.817 -11.175 -15.111 1201 HA GLN 149 HA GLN 149 -27.182 -13.162 -13.041 1202 1HB GLN 149 2HB GLN 149 -26.873 -15.073 -14.594 1203 2HB GLN 149 1HB GLN 149 -28.396 -14.228 -14.834 1204 1HG GLN 149 2HG GLN 149 -27.450 -13.059 -16.755 1205 2HG GLN 149 1HG GLN 149 -25.919 -13.899 -16.512 1206 1HE2 GLN 149 1HE2 GLN 149 -26.556 -16.429 -16.086 1207 2HE2 GLN 149 2HE2 GLN 149 -27.427 -17.102 -17.417 Start of MODEL 15 1 1H ALA 1 1HT ALA 1 24.062 7.953 -17.465 2 2H ALA 1 2HT ALA 1 23.844 7.076 -16.006 3 3H ALA 1 3HT ALA 1 24.499 8.661 -15.967 4 HA ALA 1 HA ALA 1 22.122 8.376 -15.315 5 1HB ALA 1 1HB ALA 1 23.347 10.502 -15.981 6 2HB ALA 1 2HB ALA 1 21.589 10.516 -16.125 7 3HB ALA 1 3HB ALA 1 22.592 10.312 -17.563 8 H THR 2 H THR 2 20.050 7.938 -15.957 9 HA THR 2 HA THR 2 19.643 7.110 -18.748 10 HB THR 2 HB THR 2 18.080 5.312 -17.693 11 HG1 THR 2 1HG THR 2 18.695 4.639 -15.671 12 1HG2 THR 2 1HG2 THR 2 20.981 4.736 -17.273 13 2HG2 THR 2 2HG2 THR 2 20.320 4.955 -18.894 14 3HG2 THR 2 3HG2 THR 2 19.701 3.671 -17.854 15 H SER 3 H SER 3 17.790 7.455 -15.716 16 HA SER 3 HA SER 3 15.967 9.274 -17.124 17 1HB SER 3 2HB SER 3 15.305 6.677 -15.844 18 2HB SER 3 1HB SER 3 14.185 8.009 -15.559 19 HG SER 3 HG SER 3 15.076 7.210 -18.130 20 H THR 4 H THR 4 15.493 11.054 -16.001 21 HA THR 4 HA THR 4 16.525 11.293 -13.289 22 HB THR 4 HB THR 4 15.917 13.723 -13.601 23 HG1 THR 4 1HG THR 4 15.279 14.394 -15.603 24 1HG2 THR 4 1HG2 THR 4 18.124 13.552 -14.049 25 2HG2 THR 4 2HG2 THR 4 17.561 13.963 -15.669 26 3HG2 THR 4 3HG2 THR 4 17.898 12.283 -15.253 27 H LYS 5 H LYS 5 15.263 10.887 -11.609 28 HA LYS 5 HA LYS 5 12.360 11.016 -11.922 29 1HB LYS 5 2HB LYS 5 13.908 9.988 -9.544 30 2HB LYS 5 1HB LYS 5 12.218 9.694 -9.931 31 1HG LYS 5 2HG LYS 5 14.276 8.823 -11.887 32 2HG LYS 5 1HG LYS 5 14.079 7.893 -10.400 33 1HD LYS 5 2HD LYS 5 11.639 7.738 -10.913 34 2HD LYS 5 1HD LYS 5 11.972 8.497 -12.472 35 1HE LYS 5 2HE LYS 5 12.175 6.367 -13.176 36 2HE LYS 5 1HE LYS 5 13.796 6.510 -12.499 37 1HZ LYS 5 1HZ LYS 5 12.918 4.538 -11.629 38 2HZ LYS 5 2HZ LYS 5 11.417 5.237 -11.285 39 3HZ LYS 5 3HZ LYS 5 12.774 5.656 -10.366 40 H LYS 6 H LYS 6 11.299 11.612 -9.634 41 HA LYS 6 HA LYS 6 12.427 14.226 -8.869 42 1HB LYS 6 2HB LYS 6 9.500 13.492 -8.812 43 2HB LYS 6 1HB LYS 6 10.211 15.089 -8.614 44 1HG LYS 6 2HG LYS 6 9.531 15.258 -10.770 45 2HG LYS 6 1HG LYS 6 11.135 14.573 -11.040 46 1HD LYS 6 2HD LYS 6 9.847 13.194 -12.355 47 2HD LYS 6 1HD LYS 6 9.856 12.293 -10.838 48 1HE LYS 6 2HE LYS 6 7.713 13.904 -10.460 49 2HE LYS 6 1HE LYS 6 7.652 13.682 -12.208 50 1HZ LYS 6 1HZ LYS 6 6.514 11.847 -11.621 51 2HZ LYS 6 2HZ LYS 6 7.200 11.759 -10.078 52 3HZ LYS 6 3HZ LYS 6 8.056 11.181 -11.417 53 H LEU 7 H LEU 7 9.973 11.959 -7.616 54 HA LEU 7 HA LEU 7 10.706 12.568 -4.898 55 1HB LEU 7 2HB LEU 7 8.875 10.371 -5.846 56 2HB LEU 7 1HB LEU 7 8.915 11.117 -4.261 57 HG LEU 7 HG LEU 7 8.034 12.452 -6.823 58 1HD1 LEU 7 1HD1 LEU 7 6.233 11.150 -6.304 59 2HD1 LEU 7 2HD1 LEU 7 5.883 12.556 -5.299 60 3HD1 LEU 7 3HD1 LEU 7 6.609 11.118 -4.581 61 1HD2 LEU 7 1HD2 LEU 7 8.822 14.247 -5.650 62 2HD2 LEU 7 2HD2 LEU 7 8.580 13.472 -4.084 63 3HD2 LEU 7 3HD2 LEU 7 7.202 14.132 -4.963 64 H HIS 8 H HIS 8 11.886 11.357 -3.504 65 HA HIS 8 HA HIS 8 13.192 8.968 -4.624 66 1HB HIS 8 2HB HIS 8 15.035 9.413 -3.075 67 2HB HIS 8 1HB HIS 8 14.728 10.811 -4.099 68 HD1 HIS 8 1HD HIS 8 14.574 12.970 -2.903 69 HD2 HIS 8 2HD HIS 8 13.743 9.754 -0.407 70 HE1 HIS 8 1HE HIS 8 14.261 13.960 -0.614 71 HE2 HIS 8 2HE HIS 8 13.669 12.007 0.863 72 H LYS 9 H LYS 9 13.293 7.084 -3.454 73 HA LYS 9 HA LYS 9 11.287 6.787 -1.387 74 1HB LYS 9 2HB LYS 9 13.105 4.716 -2.629 75 2HB LYS 9 1HB LYS 9 11.726 4.392 -1.587 76 1HG LYS 9 2HG LYS 9 10.886 4.000 -3.702 77 2HG LYS 9 1HG LYS 9 10.358 5.649 -3.368 78 1HD LYS 9 2HD LYS 9 11.929 6.576 -4.813 79 2HD LYS 9 1HD LYS 9 12.947 5.133 -4.785 80 1HE LYS 9 2HE LYS 9 11.997 4.776 -6.803 81 2HE LYS 9 1HE LYS 9 10.702 4.088 -5.823 82 1HZ LYS 9 1HZ LYS 9 9.988 6.651 -5.868 83 2HZ LYS 9 2HZ LYS 9 9.455 5.517 -7.003 84 3HZ LYS 9 3HZ LYS 9 10.749 6.539 -7.374 85 H GLU 10 H GLU 10 11.752 5.633 0.626 86 HA GLU 10 HA GLU 10 14.502 6.067 1.580 87 1HB GLU 10 2HB GLU 10 12.568 7.722 2.310 88 2HB GLU 10 1HB GLU 10 12.204 6.439 3.454 89 1HG GLU 10 2HG GLU 10 13.618 8.014 4.533 90 2HG GLU 10 1HG GLU 10 14.564 6.557 4.234 91 H ALA 11 H ALA 11 13.225 5.107 4.294 92 HA ALA 11 HA ALA 11 12.871 3.146 5.399 93 1HB ALA 11 1HB ALA 11 11.682 1.497 4.402 94 2HB ALA 11 2HB ALA 11 12.703 1.475 2.968 95 3HB ALA 11 3HB ALA 11 11.480 2.726 3.156 96 H ALA 12 H ALA 12 13.836 0.504 4.071 97 HA ALA 12 HA ALA 12 16.497 0.590 3.391 98 1HB ALA 12 1HB ALA 12 17.358 1.565 5.257 99 2HB ALA 12 2HB ALA 12 17.373 -0.113 5.801 100 3HB ALA 12 3HB ALA 12 16.069 0.965 6.302 101 H THR 13 H THR 13 14.926 -1.153 6.091 102 HA THR 13 HA THR 13 14.877 -3.572 4.444 103 HB THR 13 HB THR 13 16.331 -3.295 7.070 104 HG1 THR 13 1HG THR 13 17.060 -4.263 4.510 105 1HG2 THR 13 1HG2 THR 13 14.963 -5.308 7.233 106 2HG2 THR 13 2HG2 THR 13 16.679 -5.696 7.086 107 3HG2 THR 13 3HG2 THR 13 15.611 -5.872 5.692 108 H LEU 14 H LEU 14 13.279 -5.016 4.967 109 HA LEU 14 HA LEU 14 11.295 -4.041 6.884 110 1HB LEU 14 2HB LEU 14 10.456 -4.404 4.653 111 2HB LEU 14 1HB LEU 14 11.105 -6.032 4.626 112 HG LEU 14 HG LEU 14 8.549 -5.606 5.044 113 1HD1 LEU 14 1HD1 LEU 14 9.808 -7.777 5.054 114 2HD1 LEU 14 2HD1 LEU 14 8.395 -7.721 6.109 115 3HD1 LEU 14 3HD1 LEU 14 10.012 -7.569 6.793 116 1HD2 LEU 14 1HD2 LEU 14 9.340 -5.710 7.906 117 2HD2 LEU 14 2HD2 LEU 14 7.851 -5.124 7.164 118 3HD2 LEU 14 3HD2 LEU 14 9.316 -4.143 7.098 119 H ILE 15 H ILE 15 11.240 -4.928 8.834 120 HA ILE 15 HA ILE 15 12.709 -7.272 9.494 121 HB ILE 15 HB ILE 15 10.622 -5.804 11.116 122 1HG1 ILE 15 2HG1 ILE 15 13.103 -5.305 12.219 123 2HG1 ILE 15 1HG1 ILE 15 13.437 -5.281 10.491 124 1HG2 ILE 15 1HG2 ILE 15 10.926 -8.063 11.938 125 2HG2 ILE 15 2HG2 ILE 15 11.661 -6.912 13.054 126 3HG2 ILE 15 3HG2 ILE 15 12.676 -7.847 11.956 127 1HD1 ILE 15 1HD1 ILE 15 11.335 -3.637 11.879 128 2HD1 ILE 15 2HD1 ILE 15 11.745 -3.582 10.164 129 3HD1 ILE 15 3HD1 ILE 15 12.923 -3.062 11.370 130 H LYS 16 H LYS 16 9.197 -6.615 9.610 131 HA LYS 16 HA LYS 16 8.442 -8.993 8.330 132 1HB LYS 16 2HB LYS 16 9.347 -10.080 10.336 133 2HB LYS 16 1HB LYS 16 8.280 -9.116 11.347 134 1HG LYS 16 2HG LYS 16 7.134 -11.098 11.224 135 2HG LYS 16 1HG LYS 16 6.395 -10.188 9.907 136 1HD LYS 16 2HD LYS 16 8.456 -11.353 8.605 137 2HD LYS 16 1HD LYS 16 8.118 -12.577 9.830 138 1HE LYS 16 2HE LYS 16 5.613 -12.005 9.004 139 2HE LYS 16 1HE LYS 16 6.511 -11.707 7.517 140 1HZ LYS 16 1HZ LYS 16 6.214 -13.908 7.258 141 2HZ LYS 16 2HZ LYS 16 6.010 -14.204 8.910 142 3HZ LYS 16 3HZ LYS 16 7.565 -14.027 8.270 143 H ALA 17 H ALA 17 6.308 -8.934 7.801 144 HA ALA 17 HA ALA 17 4.852 -6.559 8.410 145 1HB ALA 17 1HB ALA 17 3.101 -7.470 7.007 146 2HB ALA 17 2HB ALA 17 3.877 -9.056 7.030 147 3HB ALA 17 3HB ALA 17 4.674 -7.696 6.238 148 H ILE 18 H ILE 18 2.811 -6.395 9.443 149 HA ILE 18 HA ILE 18 2.416 -8.417 11.547 150 HB ILE 18 HB ILE 18 1.503 -5.544 11.636 151 1HG1 ILE 18 2HG1 ILE 18 3.974 -5.690 11.503 152 2HG1 ILE 18 1HG1 ILE 18 3.421 -5.085 13.062 153 1HG2 ILE 18 1HG2 ILE 18 0.327 -7.222 13.061 154 2HG2 ILE 18 2HG2 ILE 18 1.124 -5.932 13.962 155 3HG2 ILE 18 3HG2 ILE 18 1.863 -7.531 13.871 156 1HD1 ILE 18 1HD1 ILE 18 4.102 -6.954 14.180 157 2HD1 ILE 18 2HD1 ILE 18 5.310 -6.886 12.897 158 3HD1 ILE 18 3HD1 ILE 18 3.945 -7.994 12.765 159 H ASP 19 H ASP 19 0.608 -6.101 9.513 160 HA ASP 19 HA ASP 19 -1.485 -8.083 9.164 161 1HB ASP 19 2HB ASP 19 -1.856 -6.455 11.247 162 2HB ASP 19 1HB ASP 19 -2.475 -5.400 9.981 163 H GLY 20 H GLY 20 -0.297 -7.770 7.046 164 1HA GLY 20 2HA GLY 20 -0.395 -7.090 4.860 165 2HA GLY 20 1HA GLY 20 -1.956 -6.388 5.248 166 H ASP 21 H ASP 21 -1.950 -4.217 6.213 167 HA ASP 21 HA ASP 21 -0.086 -2.526 4.814 168 1HB ASP 21 2HB ASP 21 -2.530 -2.050 6.491 169 2HB ASP 21 1HB ASP 21 -1.460 -0.711 6.087 170 H THR 22 H THR 22 -0.542 -3.696 8.053 171 HA THR 22 HA THR 22 1.363 -1.792 9.144 172 HB THR 22 HB THR 22 0.047 -4.100 10.577 173 HG1 THR 22 1HG THR 22 -1.506 -2.536 11.220 174 1HG2 THR 22 1HG2 THR 22 0.504 -3.005 12.574 175 2HG2 THR 22 2HG2 THR 22 0.863 -1.479 11.765 176 3HG2 THR 22 3HG2 THR 22 1.990 -2.830 11.641 177 H VAL 23 H VAL 23 3.456 -2.196 8.846 178 HA VAL 23 HA VAL 23 4.446 -4.898 9.373 179 HB VAL 23 HB VAL 23 5.900 -4.876 7.413 180 1HG1 VAL 23 1HG1 VAL 23 4.333 -5.740 6.028 181 2HG1 VAL 23 2HG1 VAL 23 3.283 -4.328 6.157 182 3HG1 VAL 23 3HG1 VAL 23 3.301 -5.535 7.443 183 1HG2 VAL 23 1HG2 VAL 23 4.434 -2.384 6.552 184 2HG2 VAL 23 2HG2 VAL 23 5.737 -3.204 5.693 185 3HG2 VAL 23 3HG2 VAL 23 6.062 -2.400 7.230 186 H LYS 24 H LYS 24 6.462 -4.985 10.286 187 HA LYS 24 HA LYS 24 7.500 -2.479 11.302 188 1HB LYS 24 2HB LYS 24 7.641 -5.285 12.053 189 2HB LYS 24 1HB LYS 24 9.221 -4.516 12.118 190 1HG LYS 24 2HG LYS 24 7.746 -2.652 13.373 191 2HG LYS 24 1HG LYS 24 6.839 -4.104 13.798 192 1HD LYS 24 2HD LYS 24 8.472 -4.879 15.143 193 2HD LYS 24 1HD LYS 24 9.755 -4.354 14.053 194 1HE LYS 24 2HE LYS 24 10.139 -2.928 15.789 195 2HE LYS 24 1HE LYS 24 8.978 -1.963 14.878 196 1HZ LYS 24 1HZ LYS 24 8.661 -3.325 17.433 197 2HZ LYS 24 2HZ LYS 24 7.319 -3.333 16.404 198 3HZ LYS 24 3HZ LYS 24 7.999 -1.865 16.895 199 H LEU 25 H LEU 25 8.723 -1.339 9.950 200 HA LEU 25 HA LEU 25 10.716 -2.751 8.305 201 1HB LEU 25 2HB LEU 25 8.801 -1.048 7.462 202 2HB LEU 25 1HB LEU 25 10.098 0.091 7.768 203 HG LEU 25 HG LEU 25 10.777 -2.307 6.159 204 1HD1 LEU 25 1HD1 LEU 25 9.964 -0.627 4.201 205 2HD1 LEU 25 2HD1 LEU 25 8.706 -0.363 5.409 206 3HD1 LEU 25 3HD1 LEU 25 9.016 -1.989 4.800 207 1HD2 LEU 25 1HD2 LEU 25 12.526 -0.769 6.583 208 2HD2 LEU 25 2HD2 LEU 25 11.512 0.610 6.160 209 3HD2 LEU 25 3HD2 LEU 25 12.037 -0.515 4.908 210 H MET 26 H MET 26 12.801 -2.473 8.724 211 HA MET 26 HA MET 26 13.643 -0.819 10.904 212 1HB MET 26 2HB MET 26 14.685 -3.006 10.437 213 2HB MET 26 1HB MET 26 15.289 -2.386 8.907 214 1HG MET 26 2HG MET 26 16.668 -0.772 10.078 215 2HG MET 26 1HG MET 26 16.028 -1.323 11.624 216 1HE MET 26 1HE MET 26 19.658 -2.475 9.623 217 2HE MET 26 2HE MET 26 19.568 -1.669 11.188 218 3HE MET 26 3HE MET 26 18.715 -0.995 9.800 219 H TYR 27 H TYR 27 13.492 1.319 10.522 220 HA TYR 27 HA TYR 27 14.625 2.397 8.041 221 1HB TYR 27 2HB TYR 27 12.331 3.085 8.604 222 2HB TYR 27 1HB TYR 27 12.901 3.732 10.139 223 HD1 TYR 27 2HD TYR 27 14.694 5.599 10.007 224 HD2 TYR 27 1HD TYR 27 12.233 4.454 6.733 225 HE1 TYR 27 2HE TYR 27 15.124 7.770 8.934 226 HE2 TYR 27 1HE TYR 27 12.654 6.623 5.650 227 HH TYR 27 HH TYR 27 15.079 8.776 6.733 228 H LYS 28 H LYS 28 16.454 3.547 8.026 229 HA LYS 28 HA LYS 28 18.496 4.252 8.755 230 1HB LYS 28 2HB LYS 28 18.406 6.287 9.858 231 2HB LYS 28 1HB LYS 28 16.793 6.156 9.179 232 1HG LYS 28 2HG LYS 28 15.981 6.539 11.201 233 2HG LYS 28 1HG LYS 28 16.631 4.985 11.716 234 1HD LYS 28 2HD LYS 28 18.850 6.536 11.839 235 2HD LYS 28 1HD LYS 28 17.596 7.709 12.249 236 1HE LYS 28 2HE LYS 28 16.864 5.545 13.746 237 2HE LYS 28 1HE LYS 28 18.623 5.428 13.776 238 1HZ LYS 28 1HZ LYS 28 18.826 7.414 14.873 239 2HZ LYS 28 2HZ LYS 28 17.377 6.848 15.536 240 3HZ LYS 28 3HZ LYS 28 17.347 8.019 14.316 241 H GLY 29 H GLY 29 17.538 1.789 10.043 242 1HA GLY 29 2HA GLY 29 18.742 0.388 11.492 243 2HA GLY 29 1HA GLY 29 19.446 1.809 12.245 244 H GLN 30 H GLN 30 16.022 1.828 11.834 245 HA GLN 30 HA GLN 30 15.637 0.891 14.587 246 1HB GLN 30 2HB GLN 30 14.585 2.795 15.321 247 2HB GLN 30 1HB GLN 30 15.760 3.498 14.222 248 1HG GLN 30 2HG GLN 30 14.022 3.616 12.481 249 2HG GLN 30 1HG GLN 30 12.854 2.973 13.633 250 1HE2 GLN 30 1HE2 GLN 30 14.504 5.736 12.509 251 2HE2 GLN 30 2HE2 GLN 30 13.828 6.877 13.615 252 H ALA 31 H ALA 31 14.104 -0.593 14.706 253 HA ALA 31 HA ALA 31 12.446 -1.188 12.444 254 1HB ALA 31 1HB ALA 31 13.351 -2.986 13.798 255 2HB ALA 31 2HB ALA 31 11.587 -3.023 13.836 256 3HB ALA 31 3HB ALA 31 12.487 -2.383 15.212 257 H MET 32 H MET 32 10.986 0.435 12.086 258 HA MET 32 HA MET 32 9.135 1.085 14.279 259 1HB MET 32 2HB MET 32 8.532 3.066 12.844 260 2HB MET 32 1HB MET 32 10.174 3.071 13.472 261 1HG MET 32 2HG MET 32 11.069 2.432 11.366 262 2HG MET 32 1HG MET 32 9.461 2.113 10.716 263 1HE MET 32 1HE MET 32 10.604 5.220 12.940 264 2HE MET 32 2HE MET 32 11.152 6.299 11.657 265 3HE MET 32 3HE MET 32 11.991 4.775 11.946 266 H THR 33 H THR 33 6.878 1.199 13.832 267 HA THR 33 HA THR 33 6.000 -0.863 12.024 268 HB THR 33 HB THR 33 4.136 0.960 13.507 269 HG1 THR 33 1HG THR 33 5.529 0.459 15.112 270 1HG2 THR 33 1HG2 THR 33 2.616 -0.597 13.130 271 2HG2 THR 33 2HG2 THR 33 3.669 -1.862 13.766 272 3HG2 THR 33 3HG2 THR 33 3.780 -1.393 12.068 273 H PHE 34 H PHE 34 5.722 -0.481 9.934 274 HA PHE 34 HA PHE 34 5.026 2.210 9.030 275 1HB PHE 34 2HB PHE 34 6.300 -0.173 7.786 276 2HB PHE 34 1HB PHE 34 5.365 0.882 6.730 277 HD1 PHE 34 2HD PHE 34 8.239 0.741 9.035 278 HD2 PHE 34 1HD PHE 34 6.194 2.988 6.056 279 HE1 PHE 34 2HE PHE 34 10.163 2.265 8.868 280 HE2 PHE 34 1HE PHE 34 8.115 4.516 5.883 281 HZ PHE 34 HZ PHE 34 10.103 4.156 7.291 282 H ARG 35 H ARG 35 3.203 2.687 7.863 283 HA ARG 35 HA ARG 35 1.220 0.538 7.548 284 1HB ARG 35 2HB ARG 35 1.026 3.038 9.069 285 2HB ARG 35 1HB ARG 35 -0.314 2.780 7.960 286 1HG ARG 35 2HG ARG 35 0.313 0.380 9.447 287 2HG ARG 35 1HG ARG 35 -0.037 1.741 10.515 288 1HD ARG 35 2HD ARG 35 -2.207 1.824 9.909 289 2HD ARG 35 1HD ARG 35 -1.858 1.441 8.225 290 HE ARG 35 HE ARG 35 -1.404 -0.889 9.590 291 1HH1 ARG 35 1HH1 ARG 35 -4.110 1.282 9.210 292 2HH1 ARG 35 2HH1 ARG 35 -5.297 0.037 9.404 293 1HH2 ARG 35 1HH2 ARG 35 -2.965 -2.529 9.847 294 2HH2 ARG 35 2HH2 ARG 35 -4.647 -2.126 9.767 295 H LEU 36 H LEU 36 0.743 0.295 5.462 296 HA LEU 36 HA LEU 36 1.537 1.953 3.400 297 1HB LEU 36 2HB LEU 36 -0.559 -0.157 3.649 298 2HB LEU 36 1HB LEU 36 -0.510 0.814 2.191 299 HG LEU 36 HG LEU 36 1.837 -0.775 3.225 300 1HD1 LEU 36 1HD1 LEU 36 1.107 -2.038 0.970 301 2HD1 LEU 36 2HD1 LEU 36 -0.478 -1.540 1.567 302 3HD1 LEU 36 3HD1 LEU 36 0.574 -2.529 2.578 303 1HD2 LEU 36 1HD2 LEU 36 2.769 -0.377 1.024 304 2HD2 LEU 36 2HD2 LEU 36 2.395 1.157 1.811 305 3HD2 LEU 36 3HD2 LEU 36 1.330 0.528 0.554 306 H LEU 37 H LEU 37 0.904 3.878 2.704 307 HA LEU 37 HA LEU 37 -1.390 5.155 3.896 308 1HB LEU 37 2HB LEU 37 0.995 5.975 2.428 309 2HB LEU 37 1HB LEU 37 -0.433 6.880 1.966 310 HG LEU 37 HG LEU 37 0.620 6.609 4.782 311 1HD1 LEU 37 1HD1 LEU 37 1.697 8.582 4.550 312 2HD1 LEU 37 2HD1 LEU 37 0.528 9.210 3.389 313 3HD1 LEU 37 3HD1 LEU 37 1.770 8.075 2.862 314 1HD2 LEU 37 1HD2 LEU 37 -1.953 7.055 4.076 315 2HD2 LEU 37 2HD2 LEU 37 -1.325 8.702 4.092 316 3HD2 LEU 37 3HD2 LEU 37 -1.199 7.697 5.535 317 H LEU 38 H LEU 38 -3.303 5.625 2.976 318 HA LEU 38 HA LEU 38 -5.052 5.581 1.531 319 1HB LEU 38 2HB LEU 38 -2.719 6.033 -0.260 320 2HB LEU 38 1HB LEU 38 -4.255 5.625 -1.001 321 HG LEU 38 HG LEU 38 -4.080 7.868 0.980 322 1HD1 LEU 38 1HD1 LEU 38 -3.983 9.236 -1.285 323 2HD1 LEU 38 2HD1 LEU 38 -3.087 7.813 -1.814 324 3HD1 LEU 38 3HD1 LEU 38 -2.522 8.745 -0.427 325 1HD2 LEU 38 1HD2 LEU 38 -5.902 8.640 -0.758 326 2HD2 LEU 38 2HD2 LEU 38 -6.293 7.506 0.536 327 3HD2 LEU 38 3HD2 LEU 38 -5.984 6.911 -1.095 328 H VAL 39 H VAL 39 -3.680 3.050 2.367 329 HA VAL 39 HA VAL 39 -4.918 1.329 0.328 330 HB VAL 39 HB VAL 39 -2.346 0.630 1.743 331 1HG1 VAL 39 1HG1 VAL 39 -2.260 -1.175 0.049 332 2HG1 VAL 39 2HG1 VAL 39 -3.866 -0.692 -0.498 333 3HG1 VAL 39 3HG1 VAL 39 -3.641 -1.307 1.139 334 1HG2 VAL 39 1HG2 VAL 39 -2.485 1.211 -1.181 335 2HG2 VAL 39 2HG2 VAL 39 -1.107 1.287 -0.084 336 3HG2 VAL 39 3HG2 VAL 39 -2.339 2.546 -0.038 337 H ASP 40 H ASP 40 -5.685 -0.705 1.114 338 HA ASP 40 HA ASP 40 -5.799 -1.020 4.018 339 1HB ASP 40 2HB ASP 40 -8.064 -0.316 2.271 340 2HB ASP 40 1HB ASP 40 -8.369 -1.668 3.357 341 H THR 41 H THR 41 -4.915 -2.964 4.278 342 HA THR 41 HA THR 41 -5.816 -5.143 2.510 343 HB THR 41 HB THR 41 -3.278 -5.480 3.995 344 HG1 THR 41 1HG THR 41 -3.417 -3.805 1.713 345 1HG2 THR 41 1HG2 THR 41 -4.555 -6.675 1.804 346 2HG2 THR 41 2HG2 THR 41 -2.980 -7.067 2.496 347 3HG2 THR 41 3HG2 THR 41 -3.100 -5.895 1.183 348 H ALA 42 H ALA 42 -7.521 -4.835 4.372 349 HA ALA 42 HA ALA 42 -7.782 -7.132 5.789 350 1HB ALA 42 1HB ALA 42 -7.229 -6.081 8.175 351 2HB ALA 42 2HB ALA 42 -6.017 -5.226 7.221 352 3HB ALA 42 3HB ALA 42 -6.038 -6.990 7.245 353 H GLU 43 H GLU 43 -9.943 -6.913 5.567 354 HA GLU 43 HA GLU 43 -11.222 -4.745 7.084 355 1HB GLU 43 2HB GLU 43 -11.185 -4.442 4.513 356 2HB GLU 43 1HB GLU 43 -12.384 -5.728 4.494 357 1HG GLU 43 2HG GLU 43 -13.996 -4.434 5.466 358 2HG GLU 43 1HG GLU 43 -12.828 -3.403 6.289 359 H THR 44 H THR 44 -10.896 -7.064 8.314 360 HA THR 44 HA THR 44 -13.090 -8.873 7.832 361 HB THR 44 HB THR 44 -11.750 -9.160 10.408 362 HG1 THR 44 1HG THR 44 -9.728 -9.233 9.769 363 1HG2 THR 44 1HG2 THR 44 -12.888 -10.835 8.536 364 2HG2 THR 44 2HG2 THR 44 -11.982 -11.317 9.970 365 3HG2 THR 44 3HG2 THR 44 -11.161 -11.168 8.417 366 H LYS 45 H LYS 45 -14.927 -7.574 8.103 367 HA LYS 45 HA LYS 45 -15.567 -7.011 10.914 368 1HB LYS 45 2HB LYS 45 -16.800 -4.976 10.174 369 2HB LYS 45 1HB LYS 45 -15.059 -4.866 9.960 370 1HG LYS 45 2HG LYS 45 -15.597 -4.115 7.922 371 2HG LYS 45 1HG LYS 45 -15.800 -5.828 7.544 372 1HD LYS 45 2HD LYS 45 -18.069 -5.686 7.491 373 2HD LYS 45 1HD LYS 45 -18.127 -4.430 8.729 374 1HE LYS 45 2HE LYS 45 -16.898 -3.102 6.717 375 2HE LYS 45 1HE LYS 45 -17.926 -4.203 5.801 376 1HZ LYS 45 1HZ LYS 45 -19.190 -2.821 8.024 377 2HZ LYS 45 2HZ LYS 45 -19.792 -3.170 6.483 378 3HZ LYS 45 3HZ LYS 45 -18.753 -1.855 6.706 379 H HIS 46 H HIS 46 -16.221 -9.186 8.953 380 HA HIS 46 HA HIS 46 -19.153 -8.903 8.962 381 1HB HIS 46 2HB HIS 46 -17.885 -9.210 6.734 382 2HB HIS 46 1HB HIS 46 -17.648 -10.874 7.257 383 HD1 HIS 46 1HD HIS 46 -20.773 -8.715 7.475 384 HD2 HIS 46 2HD HIS 46 -19.442 -12.267 5.779 385 HE1 HIS 46 1HE HIS 46 -22.798 -9.746 6.398 386 HE2 HIS 46 2HE HIS 46 -21.987 -11.939 5.459 387 H THR 47 H THR 47 -16.450 -10.801 10.015 388 HA THR 47 HA THR 47 -16.283 -12.500 11.518 389 HB THR 47 HB THR 47 -19.215 -12.560 12.050 390 HG1 THR 47 1HG THR 47 -18.988 -10.668 13.327 391 1HG2 THR 47 1HG2 THR 47 -18.655 -13.246 14.105 392 2HG2 THR 47 2HG2 THR 47 -17.286 -12.139 14.217 393 3HG2 THR 47 3HG2 THR 47 -17.122 -13.661 13.340 394 H LYS 48 H LYS 48 -16.642 -13.057 8.782 395 HA LYS 48 HA LYS 48 -18.519 -15.220 8.492 396 1HB LYS 48 2HB LYS 48 -17.495 -13.559 6.696 397 2HB LYS 48 1HB LYS 48 -16.268 -14.813 6.574 398 1HG LYS 48 2HG LYS 48 -17.950 -16.452 5.998 399 2HG LYS 48 1HG LYS 48 -19.227 -15.253 6.218 400 1HD LYS 48 2HD LYS 48 -17.951 -13.892 4.439 401 2HD LYS 48 1HD LYS 48 -17.140 -15.415 4.069 402 1HE LYS 48 2HE LYS 48 -19.393 -16.449 3.765 403 2HE LYS 48 1HE LYS 48 -20.098 -14.844 3.950 404 1HZ LYS 48 1HZ LYS 48 -19.379 -14.191 1.921 405 2HZ LYS 48 2HZ LYS 48 -19.475 -15.849 1.602 406 3HZ LYS 48 3HZ LYS 48 -17.981 -15.145 1.965 407 H LYS 49 H LYS 49 -14.978 -14.944 8.628 408 HA LYS 49 HA LYS 49 -14.596 -17.261 10.143 409 1HB LYS 49 2HB LYS 49 -13.501 -18.654 8.294 410 2HB LYS 49 1HB LYS 49 -15.258 -18.631 8.352 411 1HG LYS 49 2HG LYS 49 -15.250 -18.060 6.215 412 2HG LYS 49 1HG LYS 49 -14.558 -16.507 6.686 413 1HD LYS 49 2HD LYS 49 -13.152 -17.461 5.001 414 2HD LYS 49 1HD LYS 49 -12.296 -17.558 6.540 415 1HE LYS 49 2HE LYS 49 -13.964 -19.888 5.880 416 2HE LYS 49 1HE LYS 49 -12.587 -19.625 4.811 417 1HZ LYS 49 1HZ LYS 49 -12.640 -20.389 7.617 418 2HZ LYS 49 2HZ LYS 49 -11.420 -19.307 7.167 419 3HZ LYS 49 3HZ LYS 49 -11.542 -20.810 6.400 420 H GLY 50 H GLY 50 -13.291 -15.120 7.664 421 1HA GLY 50 2HA GLY 50 -11.342 -13.842 8.841 422 2HA GLY 50 1HA GLY 50 -10.603 -15.433 8.795 423 H VAL 51 H VAL 51 -12.268 -15.596 6.088 424 HA VAL 51 HA VAL 51 -10.328 -14.073 4.480 425 HB VAL 51 HB VAL 51 -11.273 -16.835 3.727 426 1HG1 VAL 51 1HG1 VAL 51 -10.063 -14.831 2.247 427 2HG1 VAL 51 2HG1 VAL 51 -10.150 -16.540 1.825 428 3HG1 VAL 51 3HG1 VAL 51 -8.735 -15.911 2.671 429 1HG2 VAL 51 1HG2 VAL 51 -8.589 -16.158 4.910 430 2HG2 VAL 51 2HG2 VAL 51 -9.237 -17.754 4.535 431 3HG2 VAL 51 3HG2 VAL 51 -9.928 -16.809 5.854 432 H GLU 52 H GLU 52 -13.174 -13.609 5.232 433 HA GLU 52 HA GLU 52 -14.833 -14.134 3.002 434 1HB GLU 52 2HB GLU 52 -16.216 -12.210 3.989 435 2HB GLU 52 1HB GLU 52 -15.977 -13.639 4.983 436 1HG GLU 52 2HG GLU 52 -15.106 -12.408 6.595 437 2HG GLU 52 1HG GLU 52 -13.859 -11.812 5.501 438 H LYS 53 H LYS 53 -12.547 -11.603 3.728 439 HA LYS 53 HA LYS 53 -13.134 -10.402 1.103 440 1HB LYS 53 2HB LYS 53 -12.668 -8.210 1.955 441 2HB LYS 53 1HB LYS 53 -13.862 -8.953 3.009 442 1HG LYS 53 2HG LYS 53 -10.924 -8.956 3.636 443 2HG LYS 53 1HG LYS 53 -12.011 -7.658 4.133 444 1HD LYS 53 2HD LYS 53 -12.598 -8.853 5.911 445 2HD LYS 53 1HD LYS 53 -13.246 -10.098 4.844 446 1HE LYS 53 2HE LYS 53 -11.702 -11.239 6.173 447 2HE LYS 53 1HE LYS 53 -10.831 -10.936 4.671 448 1HZ LYS 53 1HZ LYS 53 -9.745 -10.428 6.973 449 2HZ LYS 53 2HZ LYS 53 -10.607 -8.978 6.842 450 3HZ LYS 53 3HZ LYS 53 -9.480 -9.401 5.654 451 H TYR 54 H TYR 54 -11.245 -12.486 1.758 452 HA TYR 54 HA TYR 54 -9.106 -13.092 1.290 453 1HB TYR 54 2HB TYR 54 -9.258 -10.454 -0.154 454 2HB TYR 54 1HB TYR 54 -7.786 -11.418 -0.154 455 HD1 TYR 54 1HD TYR 54 -11.271 -11.250 -1.298 456 HD2 TYR 54 2HD TYR 54 -7.649 -13.481 -1.400 457 HE1 TYR 54 1HE TYR 54 -12.150 -12.579 -3.170 458 HE2 TYR 54 2HE TYR 54 -8.518 -14.816 -3.273 459 HH TYR 54 HH TYR 54 -10.724 -14.057 -5.207 460 H GLY 55 H GLY 55 -9.492 -12.162 3.826 461 1HA GLY 55 2HA GLY 55 -7.618 -10.117 4.539 462 2HA GLY 55 1HA GLY 55 -8.458 -11.192 5.646 463 H ALA 56 H ALA 56 -7.594 -13.662 4.749 464 HA ALA 56 HA ALA 56 -5.074 -13.861 6.005 465 1HB ALA 56 1HB ALA 56 -5.209 -16.174 5.621 466 2HB ALA 56 2HB ALA 56 -6.237 -15.964 4.202 467 3HB ALA 56 3HB ALA 56 -6.881 -15.646 5.814 468 H GLU 57 H GLU 57 -6.057 -13.610 2.654 469 HA GLU 57 HA GLU 57 -3.464 -14.254 1.593 470 1HB GLU 57 2HB GLU 57 -5.929 -14.306 0.520 471 2HB GLU 57 1HB GLU 57 -5.406 -12.727 -0.050 472 1HG GLU 57 2HG GLU 57 -3.983 -13.597 -1.538 473 2HG GLU 57 1HG GLU 57 -3.431 -14.850 -0.427 474 H ALA 58 H ALA 58 -5.179 -11.365 2.534 475 HA ALA 58 HA ALA 58 -3.669 -9.425 1.211 476 1HB ALA 58 1HB ALA 58 -5.429 -8.396 2.176 477 2HB ALA 58 2HB ALA 58 -4.304 -8.158 3.514 478 3HB ALA 58 3HB ALA 58 -5.450 -9.496 3.554 479 H SER 59 H SER 59 -3.246 -10.753 4.483 480 HA SER 59 HA SER 59 -0.815 -9.358 4.973 481 1HB SER 59 2HB SER 59 -0.610 -10.914 6.921 482 2HB SER 59 1HB SER 59 -2.166 -10.089 6.844 483 HG SER 59 HG SER 59 -1.609 -12.743 6.005 484 H ALA 60 H ALA 60 -1.609 -12.620 3.880 485 HA ALA 60 HA ALA 60 0.954 -13.727 3.916 486 1HB ALA 60 1HB ALA 60 -0.415 -15.428 3.442 487 2HB ALA 60 2HB ALA 60 -0.237 -14.931 1.759 488 3HB ALA 60 3HB ALA 60 -1.617 -14.370 2.703 489 H PHE 61 H PHE 61 -0.642 -11.699 1.538 490 HA PHE 61 HA PHE 61 1.361 -12.006 -0.477 491 1HB PHE 61 2HB PHE 61 -0.946 -11.399 -1.038 492 2HB PHE 61 1HB PHE 61 -0.779 -9.892 -0.146 493 HD1 PHE 61 1HD PHE 61 1.143 -8.317 -0.943 494 HD2 PHE 61 2HD PHE 61 -0.553 -11.427 -3.302 495 HE1 PHE 61 1HE PHE 61 1.951 -7.205 -2.984 496 HE2 PHE 61 2HE PHE 61 0.255 -10.322 -5.347 497 HZ PHE 61 HZ PHE 61 1.508 -8.208 -5.188 498 H THR 62 H THR 62 0.759 -9.718 2.124 499 HA THR 62 HA THR 62 2.752 -7.854 1.280 500 HB THR 62 HB THR 62 1.453 -8.207 3.987 501 HG1 THR 62 1HG THR 62 0.780 -6.649 1.726 502 1HG2 THR 62 1HG2 THR 62 2.236 -5.522 3.274 503 2HG2 THR 62 2HG2 THR 62 3.622 -6.609 3.369 504 3HG2 THR 62 3HG2 THR 62 2.540 -6.437 4.751 505 H LYS 63 H LYS 63 2.698 -10.595 3.501 506 HA LYS 63 HA LYS 63 5.271 -10.059 4.607 507 1HB LYS 63 2HB LYS 63 5.123 -12.368 5.510 508 2HB LYS 63 1HB LYS 63 3.727 -11.371 5.889 509 1HG LYS 63 2HG LYS 63 2.319 -12.639 4.670 510 2HG LYS 63 1HG LYS 63 3.534 -13.020 3.451 511 1HD LYS 63 2HD LYS 63 2.911 -15.013 4.707 512 2HD LYS 63 1HD LYS 63 4.597 -14.586 5.007 513 1HE LYS 63 2HE LYS 63 4.219 -14.059 7.177 514 2HE LYS 63 1HE LYS 63 2.602 -13.434 6.854 515 1HZ LYS 63 1HZ LYS 63 1.691 -15.562 6.902 516 2HZ LYS 63 2HZ LYS 63 2.792 -15.575 8.186 517 3HZ LYS 63 3HZ LYS 63 3.191 -16.327 6.724 518 H LYS 64 H LYS 64 4.138 -12.064 1.923 519 HA LYS 64 HA LYS 64 6.686 -13.289 1.491 520 1HB LYS 64 2HB LYS 64 5.673 -13.993 -0.703 521 2HB LYS 64 1HB LYS 64 4.788 -14.497 0.728 522 1HG LYS 64 2HG LYS 64 2.965 -13.612 -0.151 523 2HG LYS 64 1HG LYS 64 3.707 -12.019 0.006 524 1HD LYS 64 2HD LYS 64 4.134 -11.870 -2.200 525 2HD LYS 64 1HD LYS 64 4.598 -13.568 -2.323 526 1HE LYS 64 2HE LYS 64 1.905 -13.726 -1.834 527 2HE LYS 64 1HE LYS 64 2.024 -12.279 -2.835 528 1HZ LYS 64 1HZ LYS 64 2.925 -15.021 -3.504 529 2HZ LYS 64 2HZ LYS 64 3.376 -13.664 -4.406 530 3HZ LYS 64 3HZ LYS 64 1.745 -14.096 -4.289 531 H MET 65 H MET 65 5.012 -10.490 0.161 532 HA MET 65 HA MET 65 6.878 -9.985 -1.919 533 1HB MET 65 2HB MET 65 4.607 -9.070 -1.964 534 2HB MET 65 1HB MET 65 4.956 -8.105 -0.536 535 1HG MET 65 2HG MET 65 6.411 -6.695 -1.703 536 2HG MET 65 1HG MET 65 6.548 -7.815 -3.056 537 1HE MET 65 1HE MET 65 3.873 -7.886 -5.012 538 2HE MET 65 2HE MET 65 5.628 -7.752 -4.897 539 3HE MET 65 3HE MET 65 4.680 -6.407 -5.533 540 H VAL 66 H VAL 66 6.698 -9.085 1.454 541 HA VAL 66 HA VAL 66 8.921 -7.227 1.224 542 HB VAL 66 HB VAL 66 8.648 -6.863 3.616 543 1HG1 VAL 66 1HG1 VAL 66 7.280 -5.484 2.282 544 2HG1 VAL 66 2HG1 VAL 66 6.234 -6.087 3.568 545 3HG1 VAL 66 3HG1 VAL 66 6.145 -6.794 1.954 546 1HG2 VAL 66 1HG2 VAL 66 8.082 -8.921 4.548 547 2HG2 VAL 66 2HG2 VAL 66 6.765 -9.186 3.407 548 3HG2 VAL 66 3HG2 VAL 66 6.592 -7.987 4.689 549 H GLU 67 H GLU 67 8.254 -10.357 2.778 550 HA GLU 67 HA GLU 67 10.770 -10.724 3.943 551 1HB GLU 67 2HB GLU 67 8.690 -12.683 2.987 552 2HB GLU 67 1HB GLU 67 10.172 -13.200 3.778 553 1HG GLU 67 2HG GLU 67 8.628 -11.124 5.179 554 2HG GLU 67 1HG GLU 67 7.868 -12.711 5.067 555 H ASN 68 H ASN 68 9.695 -11.062 0.665 556 HA ASN 68 HA ASN 68 12.099 -12.495 -0.139 557 1HB ASN 68 2HB ASN 68 9.595 -11.635 -1.569 558 2HB ASN 68 1HB ASN 68 11.011 -12.173 -2.468 559 1HD2 ASN 68 1HD2 ASN 68 9.085 -13.185 0.338 560 2HD2 ASN 68 2HD2 ASN 68 9.045 -14.861 -0.082 561 H ALA 69 H ALA 69 10.582 -9.333 -0.523 562 HA ALA 69 HA ALA 69 12.544 -8.245 -2.251 563 1HB ALA 69 1HB ALA 69 10.257 -7.323 -1.968 564 2HB ALA 69 2HB ALA 69 11.528 -6.112 -1.802 565 3HB ALA 69 3HB ALA 69 10.725 -6.751 -0.367 566 H LYS 70 H LYS 70 14.506 -8.879 -1.287 567 HA LYS 70 HA LYS 70 15.430 -8.484 1.249 568 1HB LYS 70 2HB LYS 70 17.062 -7.969 -1.240 569 2HB LYS 70 1HB LYS 70 17.667 -8.455 0.339 570 1HG LYS 70 2HG LYS 70 15.693 -10.322 -0.619 571 2HG LYS 70 1HG LYS 70 16.992 -10.110 -1.796 572 1HD LYS 70 2HD LYS 70 18.462 -10.317 0.429 573 2HD LYS 70 1HD LYS 70 17.062 -11.266 0.930 574 1HE LYS 70 2HE LYS 70 17.832 -11.971 -1.747 575 2HE LYS 70 1HE LYS 70 19.219 -12.093 -0.665 576 1HZ LYS 70 1HZ LYS 70 17.889 -14.155 -0.833 577 2HZ LYS 70 2HZ LYS 70 16.581 -13.345 -0.130 578 3HZ LYS 70 3HZ LYS 70 18.009 -13.565 0.749 579 H LYS 71 H LYS 71 14.896 -6.071 -1.208 580 HA LYS 71 HA LYS 71 15.825 -4.009 0.684 581 1HB LYS 71 2HB LYS 71 17.296 -3.987 -1.212 582 2HB LYS 71 1HB LYS 71 15.945 -4.052 -2.334 583 1HG LYS 71 2HG LYS 71 15.715 -1.755 -0.618 584 2HG LYS 71 1HG LYS 71 17.289 -1.786 -1.414 585 1HD LYS 71 2HD LYS 71 15.099 -2.471 -3.212 586 2HD LYS 71 1HD LYS 71 14.927 -0.862 -2.507 587 1HE LYS 71 2HE LYS 71 17.588 -1.653 -3.572 588 2HE LYS 71 1HE LYS 71 16.309 -1.278 -4.727 589 1HZ LYS 71 1HZ LYS 71 16.320 0.895 -4.170 590 2HZ LYS 71 2HZ LYS 71 17.911 0.560 -3.707 591 3HZ LYS 71 3HZ LYS 71 16.685 0.610 -2.543 592 H ILE 72 H ILE 72 14.208 -2.857 1.490 593 HA ILE 72 HA ILE 72 11.825 -2.435 -0.183 594 HB ILE 72 HB ILE 72 11.695 -2.540 2.818 595 1HG1 ILE 72 2HG1 ILE 72 10.707 -4.892 2.358 596 2HG1 ILE 72 1HG1 ILE 72 11.582 -4.802 0.833 597 1HG2 ILE 72 1HG2 ILE 72 9.415 -2.547 2.555 598 2HG2 ILE 72 2HG2 ILE 72 9.496 -3.273 0.948 599 3HG2 ILE 72 3HG2 ILE 72 9.899 -1.569 1.167 600 1HD1 ILE 72 1HD1 ILE 72 13.570 -5.137 1.809 601 2HD1 ILE 72 2HD1 ILE 72 12.589 -5.834 3.098 602 3HD1 ILE 72 3HD1 ILE 72 13.159 -4.170 3.225 603 H GLU 73 H GLU 73 11.231 -0.399 -0.518 604 HA GLU 73 HA GLU 73 12.452 1.697 1.151 605 1HB GLU 73 2HB GLU 73 11.561 2.226 -1.653 606 2HB GLU 73 1HB GLU 73 12.789 3.048 -0.701 607 1HG GLU 73 2HG GLU 73 14.208 1.016 -0.892 608 2HG GLU 73 1HG GLU 73 13.003 0.337 -1.985 609 H VAL 74 H VAL 74 11.214 3.671 1.409 610 HA VAL 74 HA VAL 74 8.343 3.405 0.911 611 HB VAL 74 HB VAL 74 7.768 4.096 3.177 612 1HG1 VAL 74 1HG1 VAL 74 9.582 1.769 3.598 613 2HG1 VAL 74 2HG1 VAL 74 8.261 1.631 2.438 614 3HG1 VAL 74 3HG1 VAL 74 7.916 2.012 4.125 615 1HG2 VAL 74 1HG2 VAL 74 10.647 4.525 3.366 616 2HG2 VAL 74 2HG2 VAL 74 9.982 3.643 4.741 617 3HG2 VAL 74 3HG2 VAL 74 9.332 5.225 4.310 618 H GLU 75 H GLU 75 7.208 5.350 0.783 619 HA GLU 75 HA GLU 75 8.847 7.795 0.838 620 1HB GLU 75 2HB GLU 75 8.542 7.123 -1.484 621 2HB GLU 75 1HB GLU 75 6.802 7.013 -1.248 622 1HG GLU 75 2HG GLU 75 6.502 9.227 -1.449 623 2HG GLU 75 1HG GLU 75 7.984 9.615 -0.577 624 H PHE 76 H PHE 76 8.075 9.187 2.265 625 HA PHE 76 HA PHE 76 5.397 8.917 3.306 626 1HB PHE 76 2HB PHE 76 7.767 10.627 3.987 627 2HB PHE 76 1HB PHE 76 6.182 11.003 4.652 628 HD1 PHE 76 2HD PHE 76 5.111 9.507 6.240 629 HD2 PHE 76 1HD PHE 76 8.985 8.676 4.688 630 HE1 PHE 76 2HE PHE 76 5.465 7.849 8.023 631 HE2 PHE 76 1HE PHE 76 9.347 7.016 6.468 632 HZ PHE 76 HZ PHE 76 7.585 6.601 8.139 633 H ASP 77 H ASP 77 3.759 10.452 3.218 634 HA ASP 77 HA ASP 77 3.845 12.158 0.857 635 1HB ASP 77 2HB ASP 77 1.451 12.254 1.022 636 2HB ASP 77 1HB ASP 77 1.933 10.581 1.281 637 H LYS 78 H LYS 78 1.953 14.068 1.555 638 HA LYS 78 HA LYS 78 3.483 15.692 3.465 639 1HB LYS 78 2HB LYS 78 2.399 17.634 2.374 640 2HB LYS 78 1HB LYS 78 3.354 16.672 1.256 641 1HG LYS 78 2HG LYS 78 0.466 16.045 1.484 642 2HG LYS 78 1HG LYS 78 0.926 17.538 0.661 643 1HD LYS 78 2HD LYS 78 2.662 15.755 -0.441 644 2HD LYS 78 1HD LYS 78 1.243 14.740 -0.175 645 1HE LYS 78 2HE LYS 78 0.566 15.550 -2.156 646 2HE LYS 78 1HE LYS 78 0.107 16.973 -1.222 647 1HZ LYS 78 1HZ LYS 78 1.373 17.726 -3.047 648 2HZ LYS 78 2HZ LYS 78 2.580 16.566 -2.805 649 3HZ LYS 78 3HZ LYS 78 2.396 17.837 -1.703 650 H GLY 79 H GLY 79 0.373 14.289 2.831 651 1HA GLY 79 2HA GLY 79 -1.226 15.881 4.506 652 2HA GLY 79 1HA GLY 79 -1.566 14.219 4.054 653 H GLN 80 H GLN 80 -1.187 12.591 5.493 654 HA GLN 80 HA GLN 80 -0.326 13.439 8.175 655 1HB GLN 80 2HB GLN 80 -2.619 12.578 8.037 656 2HB GLN 80 1HB GLN 80 -2.020 11.075 7.349 657 1HG GLN 80 2HG GLN 80 -1.276 10.295 9.338 658 2HG GLN 80 1HG GLN 80 -0.892 11.902 9.953 659 1HE2 GLN 80 1HE2 GLN 80 -3.512 9.654 9.297 660 2HE2 GLN 80 2HE2 GLN 80 -4.611 10.304 10.460 661 H ARG 81 H ARG 81 1.387 12.525 9.138 662 HA ARG 81 HA ARG 81 2.878 10.512 7.615 663 1HB ARG 81 2HB ARG 81 4.091 12.559 8.164 664 2HB ARG 81 1HB ARG 81 3.753 12.323 9.873 665 1HG ARG 81 2HG ARG 81 5.134 10.370 9.945 666 2HG ARG 81 1HG ARG 81 5.346 10.401 8.193 667 1HD ARG 81 2HD ARG 81 6.164 12.751 9.853 668 2HD ARG 81 1HD ARG 81 7.214 11.343 9.735 669 HE ARG 81 HE ARG 81 7.608 11.835 7.500 670 1HH1 ARG 81 1HH1 ARG 81 5.242 14.033 8.837 671 2HH1 ARG 81 2HH1 ARG 81 5.351 15.145 7.515 672 1HH2 ARG 81 1HH2 ARG 81 7.746 13.299 5.766 673 2HH2 ARG 81 2HH2 ARG 81 6.769 14.729 5.774 674 H THR 82 H THR 82 1.023 10.921 10.468 675 HA THR 82 HA THR 82 1.464 8.143 11.182 676 HB THR 82 HB THR 82 2.038 8.546 13.464 677 HG1 THR 82 1HG THR 82 2.212 10.680 14.267 678 1HG2 THR 82 1HG2 THR 82 3.720 10.570 12.037 679 2HG2 THR 82 2HG2 THR 82 3.889 8.838 11.752 680 3HG2 THR 82 3HG2 THR 82 4.167 9.497 13.363 681 H ASP 83 H ASP 83 -0.508 7.318 11.312 682 HA ASP 83 HA ASP 83 -2.836 8.922 11.621 683 1HB ASP 83 2HB ASP 83 -2.705 6.777 10.324 684 2HB ASP 83 1HB ASP 83 -2.644 5.920 11.861 685 H LYS 84 H LYS 84 -1.808 9.813 13.725 686 HA LYS 84 HA LYS 84 -1.769 9.985 16.005 687 1HB LYS 84 2HB LYS 84 -4.469 8.666 15.683 688 2HB LYS 84 1HB LYS 84 -3.941 9.621 17.062 689 1HG LYS 84 2HG LYS 84 -3.931 10.827 14.333 690 2HG LYS 84 1HG LYS 84 -5.441 10.692 15.237 691 1HD LYS 84 2HD LYS 84 -4.038 11.768 17.164 692 2HD LYS 84 1HD LYS 84 -3.001 12.305 15.842 693 1HE LYS 84 2HE LYS 84 -5.381 13.006 14.839 694 2HE LYS 84 1HE LYS 84 -5.754 13.122 16.558 695 1HZ LYS 84 1HZ LYS 84 -4.119 14.743 16.870 696 2HZ LYS 84 2HZ LYS 84 -4.872 15.191 15.423 697 3HZ LYS 84 3HZ LYS 84 -3.367 14.420 15.389 698 H TYR 85 H TYR 85 -0.619 7.502 14.944 699 HA TYR 85 HA TYR 85 -0.818 5.919 17.404 700 1HB TYR 85 2HB TYR 85 -1.655 5.087 14.767 701 2HB TYR 85 1HB TYR 85 -0.350 4.059 15.351 702 HD1 TYR 85 1HD TYR 85 -3.647 5.457 16.373 703 HD2 TYR 85 2HD TYR 85 -0.819 2.310 16.809 704 HE1 TYR 85 1HE TYR 85 -5.257 4.212 17.752 705 HE2 TYR 85 2HE TYR 85 -2.421 1.053 18.190 706 HH TYR 85 HH TYR 85 -5.658 1.752 18.345 707 H GLY 86 H GLY 86 1.144 7.826 15.947 708 1HA GLY 86 2HA GLY 86 3.418 8.025 15.723 709 2HA GLY 86 1HA GLY 86 3.511 6.772 16.949 710 H ARG 87 H ARG 87 1.884 5.993 14.010 711 HA ARG 87 HA ARG 87 3.887 4.005 13.403 712 1HB ARG 87 2HB ARG 87 1.390 4.689 11.845 713 2HB ARG 87 1HB ARG 87 2.336 3.211 11.731 714 1HG ARG 87 2HG ARG 87 1.394 3.761 14.431 715 2HG ARG 87 1HG ARG 87 0.090 3.571 13.258 716 1HD ARG 87 2HD ARG 87 0.552 1.380 12.896 717 2HD ARG 87 1HD ARG 87 2.286 1.598 13.122 718 HE ARG 87 HE ARG 87 0.377 0.834 15.106 719 1HH1 ARG 87 1HH1 ARG 87 3.415 2.477 14.607 720 2HH1 ARG 87 2HH1 ARG 87 3.977 2.192 16.220 721 1HH2 ARG 87 1HH2 ARG 87 1.113 0.458 17.227 722 2HH2 ARG 87 2HH2 ARG 87 2.671 1.045 17.708 723 H GLY 88 H GLY 88 3.920 3.808 10.704 724 1HA GLY 88 2HA GLY 88 5.143 6.364 9.864 725 2HA GLY 88 1HA GLY 88 5.803 4.793 9.436 726 H LEU 89 H LEU 89 2.788 6.675 9.134 727 HA LEU 89 HA LEU 89 1.652 5.245 7.039 728 1HB LEU 89 2HB LEU 89 1.381 7.991 8.113 729 2HB LEU 89 1HB LEU 89 0.786 7.739 6.483 730 HG LEU 89 HG LEU 89 -0.122 6.289 8.969 731 1HD1 LEU 89 1HD1 LEU 89 -1.161 8.546 7.358 732 2HD1 LEU 89 2HD1 LEU 89 -1.283 8.235 9.090 733 3HD1 LEU 89 3HD1 LEU 89 -2.330 7.372 7.963 734 1HD2 LEU 89 1HD2 LEU 89 -0.706 5.836 6.063 735 2HD2 LEU 89 2HD2 LEU 89 -1.864 5.388 7.316 736 3HD2 LEU 89 3HD2 LEU 89 -0.257 4.662 7.302 737 H ALA 90 H ALA 90 2.433 4.820 5.090 738 HA ALA 90 HA ALA 90 3.209 6.747 3.226 739 1HB ALA 90 1HB ALA 90 5.213 6.534 5.011 740 2HB ALA 90 2HB ALA 90 5.458 6.941 3.314 741 3HB ALA 90 3HB ALA 90 5.688 5.283 3.865 742 H TYR 91 H TYR 91 4.246 5.747 1.259 743 HA TYR 91 HA TYR 91 2.953 3.220 0.732 744 1HB TYR 91 2HB TYR 91 4.723 4.844 -1.105 745 2HB TYR 91 1HB TYR 91 3.594 3.576 -1.572 746 HD1 TYR 91 1HD TYR 91 3.931 7.060 -0.499 747 HD2 TYR 91 2HD TYR 91 1.201 3.999 -1.629 748 HE1 TYR 91 1HE TYR 91 2.165 8.747 -0.779 749 HE2 TYR 91 2HE TYR 91 -0.573 5.678 -1.913 750 HH TYR 91 HH TYR 91 -0.856 8.020 -2.268 751 H ILE 92 H ILE 92 3.929 1.275 0.283 752 HA ILE 92 HA ILE 92 6.739 1.060 1.107 753 HB ILE 92 HB ILE 92 4.715 -1.162 0.814 754 1HG1 ILE 92 2HG1 ILE 92 4.142 0.558 2.568 755 2HG1 ILE 92 1HG1 ILE 92 4.372 -1.077 3.179 756 1HG2 ILE 92 1HG2 ILE 92 6.636 -2.343 0.817 757 2HG2 ILE 92 2HG2 ILE 92 6.551 -2.071 2.557 758 3HG2 ILE 92 3HG2 ILE 92 7.565 -1.036 1.552 759 1HD1 ILE 92 1HD1 ILE 92 5.561 1.244 4.114 760 2HD1 ILE 92 2HD1 ILE 92 6.840 0.411 3.231 761 3HD1 ILE 92 3HD1 ILE 92 5.989 -0.413 4.537 762 H TYR 93 H TYR 93 8.281 0.114 -0.175 763 HA TYR 93 HA TYR 93 7.451 -0.795 -2.843 764 1HB TYR 93 2HB TYR 93 9.835 0.983 -2.293 765 2HB TYR 93 1HB TYR 93 9.315 0.388 -3.866 766 HD1 TYR 93 2HD TYR 93 6.958 1.102 -4.656 767 HD2 TYR 93 1HD TYR 93 9.072 3.040 -1.514 768 HE1 TYR 93 2HE TYR 93 5.549 3.096 -4.946 769 HE2 TYR 93 1HE TYR 93 7.669 5.039 -1.795 770 HH TYR 93 HH TYR 93 5.724 5.559 -4.473 771 H ALA 94 H ALA 94 8.202 -2.754 -3.285 772 HA ALA 94 HA ALA 94 10.462 -3.781 -1.706 773 1HB ALA 94 1HB ALA 94 9.075 -5.480 -1.323 774 2HB ALA 94 2HB ALA 94 9.285 -5.933 -3.014 775 3HB ALA 94 3HB ALA 94 7.932 -4.909 -2.537 776 H ASP 95 H ASP 95 12.346 -3.917 -2.692 777 HA ASP 95 HA ASP 95 13.916 -3.794 -4.357 778 1HB ASP 95 2HB ASP 95 12.236 -6.071 -5.417 779 2HB ASP 95 1HB ASP 95 13.935 -5.776 -5.775 780 H GLY 96 H GLY 96 12.017 -1.850 -4.845 781 1HA GLY 96 2HA GLY 96 11.672 -0.357 -6.590 782 2HA GLY 96 1HA GLY 96 12.308 -1.555 -7.705 783 H LYS 97 H LYS 97 9.823 -2.667 -5.625 784 HA LYS 97 HA LYS 97 7.860 -2.370 -7.802 785 1HB LYS 97 2HB LYS 97 8.577 -4.687 -7.619 786 2HB LYS 97 1HB LYS 97 8.240 -4.684 -5.895 787 1HG LYS 97 2HG LYS 97 6.242 -5.500 -6.392 788 2HG LYS 97 1HG LYS 97 5.844 -3.909 -7.040 789 1HD LYS 97 2HD LYS 97 7.345 -5.381 -8.987 790 2HD LYS 97 1HD LYS 97 5.993 -6.365 -8.424 791 1HE LYS 97 2HE LYS 97 4.800 -5.229 -9.945 792 2HE LYS 97 1HE LYS 97 4.806 -3.935 -8.748 793 1HZ LYS 97 1HZ LYS 97 6.353 -2.750 -9.901 794 2HZ LYS 97 2HZ LYS 97 5.587 -3.519 -11.196 795 3HZ LYS 97 3HZ LYS 97 7.059 -4.113 -10.613 796 H MET 98 H MET 98 5.822 -1.711 -7.279 797 HA MET 98 HA MET 98 5.474 -0.537 -4.662 798 1HB MET 98 2HB MET 98 3.556 -0.611 -6.998 799 2HB MET 98 1HB MET 98 3.430 0.419 -5.579 800 1HG MET 98 2HG MET 98 5.575 1.482 -6.227 801 2HG MET 98 1HG MET 98 5.552 0.526 -7.708 802 1HE MET 98 1HE MET 98 3.301 4.106 -6.386 803 2HE MET 98 2HE MET 98 3.648 2.673 -5.418 804 3HE MET 98 3HE MET 98 2.118 2.803 -6.284 805 H VAL 99 H VAL 99 4.618 -1.573 -2.995 806 HA VAL 99 HA VAL 99 3.380 -4.132 -3.269 807 HB VAL 99 HB VAL 99 3.399 -2.388 -0.807 808 1HG1 VAL 99 1HG1 VAL 99 2.084 -4.097 -0.141 809 2HG1 VAL 99 2HG1 VAL 99 3.627 -4.926 0.064 810 3HG1 VAL 99 3HG1 VAL 99 2.675 -5.183 -1.398 811 1HG2 VAL 99 1HG2 VAL 99 5.535 -4.106 -2.008 812 2HG2 VAL 99 2HG2 VAL 99 5.440 -3.888 -0.261 813 3HG2 VAL 99 3HG2 VAL 99 5.659 -2.490 -1.313 814 H ASN 100 H ASN 100 2.217 -0.875 -2.512 815 HA ASN 100 HA ASN 100 -0.432 -1.510 -1.903 816 1HB ASN 100 2HB ASN 100 -0.922 0.855 -2.593 817 2HB ASN 100 1HB ASN 100 0.398 0.695 -1.440 818 1HD2 ASN 100 1HD2 ASN 100 2.475 1.175 -2.067 819 2HD2 ASN 100 2HD2 ASN 100 2.843 1.976 -3.553 820 H GLU 101 H GLU 101 1.117 -0.867 -5.014 821 HA GLU 101 HA GLU 101 -1.309 -1.020 -6.517 822 1HB GLU 101 2HB GLU 101 1.579 -1.220 -7.390 823 2HB GLU 101 1HB GLU 101 0.209 -1.106 -8.487 824 1HG GLU 101 2HG GLU 101 -0.188 1.041 -6.846 825 2HG GLU 101 1HG GLU 101 1.571 0.968 -6.953 826 H ALA 102 H ALA 102 1.345 -3.259 -5.829 827 HA ALA 102 HA ALA 102 0.546 -5.362 -7.485 828 1HB ALA 102 1HB ALA 102 2.691 -4.989 -6.001 829 2HB ALA 102 2HB ALA 102 2.163 -6.608 -6.459 830 3HB ALA 102 3HB ALA 102 1.788 -5.979 -4.855 831 H LEU 103 H LEU 103 -0.372 -4.585 -4.156 832 HA LEU 103 HA LEU 103 -1.917 -6.933 -3.743 833 1HB LEU 103 2HB LEU 103 -1.854 -4.260 -2.359 834 2HB LEU 103 1HB LEU 103 -2.911 -5.563 -1.848 835 HG LEU 103 HG LEU 103 -0.012 -6.175 -2.095 836 1HD1 LEU 103 1HD1 LEU 103 0.257 -4.149 -0.958 837 2HD1 LEU 103 2HD1 LEU 103 0.214 -5.367 0.316 838 3HD1 LEU 103 3HD1 LEU 103 -1.211 -4.382 -0.010 839 1HD2 LEU 103 1HD2 LEU 103 -1.390 -7.979 -1.459 840 2HD2 LEU 103 2HD2 LEU 103 -2.283 -6.992 -0.302 841 3HD2 LEU 103 3HD2 LEU 103 -0.606 -7.433 0.023 842 H VAL 104 H VAL 104 -2.861 -3.562 -4.428 843 HA VAL 104 HA VAL 104 -5.618 -4.089 -4.655 844 HB VAL 104 HB VAL 104 -4.098 -1.860 -6.009 845 1HG1 VAL 104 1HG1 VAL 104 -6.806 -1.402 -4.978 846 2HG1 VAL 104 2HG1 VAL 104 -6.708 -2.542 -6.319 847 3HG1 VAL 104 3HG1 VAL 104 -6.071 -0.909 -6.504 848 1HG2 VAL 104 1HG2 VAL 104 -5.467 -1.359 -3.447 849 2HG2 VAL 104 2HG2 VAL 104 -3.949 -0.715 -4.069 850 3HG2 VAL 104 3HG2 VAL 104 -3.996 -2.326 -3.356 851 H ARG 105 H ARG 105 -3.051 -3.860 -7.099 852 HA ARG 105 HA ARG 105 -4.672 -4.204 -9.360 853 1HB ARG 105 2HB ARG 105 -2.244 -3.486 -9.305 854 2HB ARG 105 1HB ARG 105 -1.829 -5.181 -9.088 855 1HG ARG 105 2HG ARG 105 -1.684 -5.201 -11.318 856 2HG ARG 105 1HG ARG 105 -3.445 -5.313 -11.263 857 1HD ARG 105 2HD ARG 105 -3.725 -3.220 -12.036 858 2HD ARG 105 1HD ARG 105 -2.385 -2.583 -11.084 859 HE ARG 105 HE ARG 105 -0.993 -2.893 -12.880 860 1HH1 ARG 105 1HH1 ARG 105 -3.994 -4.579 -13.455 861 2HH1 ARG 105 2HH1 ARG 105 -3.625 -4.929 -15.110 862 1HH2 ARG 105 1HH2 ARG 105 -0.506 -3.352 -15.057 863 2HH2 ARG 105 2HH2 ARG 105 -1.645 -4.234 -16.019 864 H GLN 106 H GLN 106 -3.343 -6.492 -7.080 865 HA GLN 106 HA GLN 106 -4.081 -8.786 -8.696 866 1HB GLN 106 2HB GLN 106 -2.681 -8.374 -6.091 867 2HB GLN 106 1HB GLN 106 -3.425 -9.936 -6.400 868 1HG GLN 106 2HG GLN 106 -1.033 -9.842 -6.995 869 2HG GLN 106 1HG GLN 106 -2.079 -10.266 -8.349 870 1HE2 GLN 106 1HE2 GLN 106 0.507 -8.468 -7.476 871 2HE2 GLN 106 2HE2 GLN 106 0.447 -7.246 -8.695 872 H GLY 107 H GLY 107 -5.362 -6.901 -6.068 873 1HA GLY 107 2HA GLY 107 -7.721 -6.890 -5.641 874 2HA GLY 107 1HA GLY 107 -7.778 -8.580 -6.123 875 H LEU 108 H LEU 108 -5.543 -6.994 -3.880 876 HA LEU 108 HA LEU 108 -6.652 -8.676 -1.729 877 1HB LEU 108 2HB LEU 108 -3.821 -8.175 -2.539 878 2HB LEU 108 1HB LEU 108 -4.182 -8.469 -0.848 879 HG LEU 108 HG LEU 108 -5.123 -10.641 -1.380 880 1HD1 LEU 108 1HD1 LEU 108 -4.522 -11.291 -3.925 881 2HD1 LEU 108 2HD1 LEU 108 -4.965 -9.596 -4.127 882 3HD1 LEU 108 3HD1 LEU 108 -6.109 -10.727 -3.401 883 1HD2 LEU 108 1HD2 LEU 108 -3.011 -11.635 -2.507 884 2HD2 LEU 108 2HD2 LEU 108 -2.862 -10.853 -0.932 885 3HD2 LEU 108 3HD2 LEU 108 -2.387 -9.989 -2.395 886 H ALA 109 H ALA 109 -5.458 -5.558 -2.689 887 HA ALA 109 HA ALA 109 -6.118 -4.526 -0.008 888 1HB ALA 109 1HB ALA 109 -4.456 -2.703 -0.488 889 2HB ALA 109 2HB ALA 109 -3.926 -3.653 -1.877 890 3HB ALA 109 3HB ALA 109 -3.766 -4.308 -0.247 891 H LYS 110 H LYS 110 -7.162 -2.513 0.099 892 HA LYS 110 HA LYS 110 -8.334 -1.599 -2.446 893 1HB LYS 110 2HB LYS 110 -10.357 -0.985 -1.170 894 2HB LYS 110 1HB LYS 110 -10.027 -2.711 -1.114 895 1HG LYS 110 2HG LYS 110 -10.318 -2.528 1.084 896 2HG LYS 110 1HG LYS 110 -8.718 -1.786 1.108 897 1HD LYS 110 2HD LYS 110 -10.095 -0.287 2.282 898 2HD LYS 110 1HD LYS 110 -9.922 0.423 0.675 899 1HE LYS 110 2HE LYS 110 -12.085 -0.320 0.025 900 2HE LYS 110 1HE LYS 110 -12.240 -1.329 1.462 901 1HZ LYS 110 1HZ LYS 110 -12.063 1.635 1.493 902 2HZ LYS 110 2HZ LYS 110 -12.336 0.630 2.827 903 3HZ LYS 110 3HZ LYS 110 -13.504 0.756 1.609 904 H VAL 111 H VAL 111 -9.489 0.688 -1.852 905 HA VAL 111 HA VAL 111 -7.254 2.423 -1.244 906 HB VAL 111 HB VAL 111 -10.070 3.271 -1.913 907 1HG1 VAL 111 1HG1 VAL 111 -7.808 4.855 -2.865 908 2HG1 VAL 111 2HG1 VAL 111 -7.913 4.752 -1.108 909 3HG1 VAL 111 3HG1 VAL 111 -9.281 5.362 -2.039 910 1HG2 VAL 111 1HG2 VAL 111 -9.248 3.438 -4.264 911 2HG2 VAL 111 2HG2 VAL 111 -9.399 1.785 -3.666 912 3HG2 VAL 111 3HG2 VAL 111 -7.810 2.544 -3.770 913 H ALA 112 H ALA 112 -6.824 3.112 0.738 914 HA ALA 112 HA ALA 112 -8.617 2.752 2.917 915 1HB ALA 112 1HB ALA 112 -6.271 4.576 3.129 916 2HB ALA 112 2HB ALA 112 -5.997 2.858 2.841 917 3HB ALA 112 3HB ALA 112 -6.880 3.380 4.274 918 H TYR 113 H TYR 113 -7.922 5.397 0.765 919 HA TYR 113 HA TYR 113 -8.885 7.438 0.484 920 1HB TYR 113 2HB TYR 113 -10.959 6.426 2.442 921 2HB TYR 113 1HB TYR 113 -11.130 7.820 1.381 922 HD1 TYR 113 2HD TYR 113 -10.887 7.335 -1.175 923 HD2 TYR 113 1HD TYR 113 -11.747 4.360 1.742 924 HE1 TYR 113 2HE TYR 113 -11.817 5.889 -2.933 925 HE2 TYR 113 1HE TYR 113 -12.679 2.905 -0.009 926 HH TYR 113 HH TYR 113 -13.754 3.704 -2.685 927 H VAL 114 H VAL 114 -7.502 8.898 1.301 928 HA VAL 114 HA VAL 114 -7.589 9.415 4.201 929 HB VAL 114 HB VAL 114 -5.382 10.232 2.320 930 1HG1 VAL 114 1HG1 VAL 114 -4.158 10.211 4.607 931 2HG1 VAL 114 2HG1 VAL 114 -5.784 10.308 5.281 932 3HG1 VAL 114 3HG1 VAL 114 -5.201 11.572 4.197 933 1HG2 VAL 114 1HG2 VAL 114 -5.729 7.729 2.491 934 2HG2 VAL 114 2HG2 VAL 114 -5.299 7.882 4.195 935 3HG2 VAL 114 3HG2 VAL 114 -4.134 8.326 2.947 936 H TYR 115 H TYR 115 -8.791 11.124 4.693 937 HA TYR 115 HA TYR 115 -8.988 13.336 2.776 938 1HB TYR 115 2HB TYR 115 -10.959 14.037 4.098 939 2HB TYR 115 1HB TYR 115 -11.120 12.398 3.478 940 HD1 TYR 115 1HD TYR 115 -10.671 14.447 6.483 941 HD2 TYR 115 2HD TYR 115 -11.121 10.493 4.979 942 HE1 TYR 115 1HE TYR 115 -11.128 13.639 8.759 943 HE2 TYR 115 2HE TYR 115 -11.581 9.675 7.251 944 HH TYR 115 HH TYR 115 -11.208 10.305 9.546 945 H LYS 116 H LYS 116 -6.662 12.910 4.495 946 HA LYS 116 HA LYS 116 -6.850 15.276 6.237 947 1HB LYS 116 2HB LYS 116 -4.809 13.048 6.338 948 2HB LYS 116 1HB LYS 116 -4.974 14.370 7.486 949 1HG LYS 116 2HG LYS 116 -7.451 12.914 7.211 950 2HG LYS 116 1HG LYS 116 -6.120 11.844 7.652 951 1HD LYS 116 2HD LYS 116 -7.001 12.596 9.698 952 2HD LYS 116 1HD LYS 116 -5.547 13.564 9.445 953 1HE LYS 116 2HE LYS 116 -6.904 15.295 9.904 954 2HE LYS 116 1HE LYS 116 -7.407 15.107 8.224 955 1HZ LYS 116 1HZ LYS 116 -9.078 13.425 9.285 956 2HZ LYS 116 2HZ LYS 116 -9.413 15.083 9.284 957 3HZ LYS 116 3HZ LYS 116 -8.813 14.342 10.681 958 H GLY 117 H GLY 117 -5.104 13.780 3.606 959 1HA GLY 117 2HA GLY 117 -4.247 16.034 2.352 960 2HA GLY 117 1HA GLY 117 -3.006 15.754 3.563 961 H ASN 118 H ASN 118 -3.372 12.816 3.371 962 HA ASN 118 HA ASN 118 -1.394 12.300 1.432 963 1HB ASN 118 2HB ASN 118 -1.693 10.883 3.407 964 2HB ASN 118 1HB ASN 118 -3.274 10.382 2.820 965 1HD2 ASN 118 1HD2 ASN 118 -0.284 10.790 0.991 966 2HD2 ASN 118 2HD2 ASN 118 -0.148 9.139 0.505 967 H ASN 119 H ASN 119 -2.308 13.270 -0.462 968 HA ASN 119 HA ASN 119 -4.014 11.396 -1.931 969 1HB ASN 119 2HB ASN 119 -5.107 13.666 -0.927 970 2HB ASN 119 1HB ASN 119 -4.533 14.255 -2.484 971 1HD2 ASN 119 1HD2 ASN 119 -6.954 12.574 -0.852 972 2HD2 ASN 119 2HD2 ASN 119 -7.842 12.018 -2.226 973 H THR 120 H THR 120 -1.299 11.503 -2.177 974 HA THR 120 HA THR 120 -0.674 13.185 -4.473 975 HB THR 120 HB THR 120 1.120 11.230 -3.026 976 HG1 THR 120 1HG THR 120 0.704 12.684 -1.498 977 1HG2 THR 120 1HG2 THR 120 2.135 11.789 -5.076 978 2HG2 THR 120 2HG2 THR 120 2.903 12.799 -3.852 979 3HG2 THR 120 3HG2 THR 120 1.682 13.486 -4.923 980 H HIS 121 H HIS 121 -0.538 9.726 -3.625 981 HA HIS 121 HA HIS 121 -0.382 9.052 -6.463 982 1HB HIS 121 2HB HIS 121 -0.119 7.337 -3.988 983 2HB HIS 121 1HB HIS 121 0.017 6.735 -5.637 984 HD1 HIS 121 1HD HIS 121 1.709 9.347 -3.443 985 HD2 HIS 121 2HD HIS 121 2.560 6.731 -6.558 986 HE1 HIS 121 1HE HIS 121 4.183 9.554 -3.837 987 HE2 HIS 121 2HE HIS 121 4.690 7.897 -5.666 988 H GLU 122 H GLU 122 -2.852 10.015 -4.929 989 HA GLU 122 HA GLU 122 -4.692 7.919 -4.694 990 1HB GLU 122 2HB GLU 122 -4.949 10.273 -3.835 991 2HB GLU 122 1HB GLU 122 -5.338 10.760 -5.480 992 1HG GLU 122 2HG GLU 122 -7.436 10.453 -4.706 993 2HG GLU 122 1HG GLU 122 -7.106 8.806 -5.239 994 H GLN 123 H GLN 123 -3.300 9.293 -7.485 995 HA GLN 123 HA GLN 123 -5.484 8.797 -9.271 996 1HB GLN 123 2HB GLN 123 -3.863 9.286 -11.052 997 2HB GLN 123 1HB GLN 123 -3.840 10.513 -9.794 998 1HG GLN 123 2HG GLN 123 -1.848 9.379 -8.821 999 2HG GLN 123 1HG GLN 123 -1.838 8.312 -10.224 1000 1HE2 GLN 123 1HE2 GLN 123 -2.448 10.047 -12.242 1001 2HE2 GLN 123 2HE2 GLN 123 -1.182 11.210 -12.418 1002 H LEU 124 H LEU 124 -2.366 7.166 -8.672 1003 HA LEU 124 HA LEU 124 -2.909 5.034 -10.473 1004 1HB LEU 124 2HB LEU 124 -0.917 4.026 -9.667 1005 2HB LEU 124 1HB LEU 124 -0.631 5.754 -9.733 1006 HG LEU 124 HG LEU 124 -1.344 5.625 -7.186 1007 1HD1 LEU 124 1HD1 LEU 124 -1.488 2.961 -7.811 1008 2HD1 LEU 124 2HD1 LEU 124 -1.305 3.628 -6.189 1009 3HD1 LEU 124 3HD1 LEU 124 0.117 3.104 -7.092 1010 1HD2 LEU 124 1HD2 LEU 124 1.269 5.150 -8.528 1011 2HD2 LEU 124 2HD2 LEU 124 1.178 5.010 -6.773 1012 3HD2 LEU 124 3HD2 LEU 124 0.728 6.521 -7.560 1013 H LEU 125 H LEU 125 -3.469 5.545 -7.051 1014 HA LEU 125 HA LEU 125 -4.063 2.879 -6.351 1015 1HB LEU 125 2HB LEU 125 -5.146 5.415 -5.123 1016 2HB LEU 125 1HB LEU 125 -5.143 3.827 -4.380 1017 HG LEU 125 HG LEU 125 -2.543 5.056 -5.198 1018 1HD1 LEU 125 1HD1 LEU 125 -3.216 6.870 -3.976 1019 2HD1 LEU 125 2HD1 LEU 125 -2.562 5.850 -2.696 1020 3HD1 LEU 125 3HD1 LEU 125 -4.304 5.924 -2.962 1021 1HD2 LEU 125 1HD2 LEU 125 -3.154 3.443 -2.749 1022 2HD2 LEU 125 2HD2 LEU 125 -1.625 3.631 -3.608 1023 3HD2 LEU 125 3HD2 LEU 125 -2.920 2.665 -4.315 1024 H ARG 126 H ARG 126 -6.213 5.595 -7.190 1025 HA ARG 126 HA ARG 126 -8.608 4.124 -7.081 1026 1HB ARG 126 2HB ARG 126 -8.515 6.587 -7.051 1027 2HB ARG 126 1HB ARG 126 -7.975 6.583 -8.724 1028 1HG ARG 126 2HG ARG 126 -10.062 5.735 -9.481 1029 2HG ARG 126 1HG ARG 126 -10.598 5.416 -7.830 1030 1HD ARG 126 2HD ARG 126 -10.406 7.888 -7.405 1031 2HD ARG 126 1HD ARG 126 -10.146 8.092 -9.137 1032 HE ARG 126 HE ARG 126 -12.466 6.636 -8.907 1033 1HH1 ARG 126 1HH1 ARG 126 -11.340 9.753 -7.814 1034 2HH1 ARG 126 2HH1 ARG 126 -12.916 10.470 -7.836 1035 1HH2 ARG 126 1HH2 ARG 126 -14.539 7.577 -8.938 1036 2HH2 ARG 126 2HH2 ARG 126 -14.732 9.235 -8.474 1037 H LYS 127 H LYS 127 -6.204 4.526 -9.580 1038 HA LYS 127 HA LYS 127 -7.778 3.528 -11.730 1039 1HB LYS 127 2HB LYS 127 -5.310 4.740 -11.497 1040 2HB LYS 127 1HB LYS 127 -4.891 3.095 -11.957 1041 1HG LYS 127 2HG LYS 127 -5.109 4.012 -14.019 1042 2HG LYS 127 1HG LYS 127 -6.779 3.501 -13.762 1043 1HD LYS 127 2HD LYS 127 -7.211 5.812 -12.836 1044 2HD LYS 127 1HD LYS 127 -5.615 6.259 -13.441 1045 1HE LYS 127 2HE LYS 127 -7.434 4.911 -15.345 1046 2HE LYS 127 1HE LYS 127 -7.862 6.554 -14.869 1047 1HZ LYS 127 1HZ LYS 127 -5.598 7.237 -15.517 1048 2HZ LYS 127 2HZ LYS 127 -6.495 6.628 -16.815 1049 3HZ LYS 127 3HZ LYS 127 -5.303 5.672 -16.089 1050 H SER 128 H SER 128 -5.428 2.056 -9.522 1051 HA SER 128 HA SER 128 -5.548 -0.525 -10.712 1052 1HB SER 128 2HB SER 128 -4.345 0.660 -8.271 1053 2HB SER 128 1HB SER 128 -4.651 -1.076 -8.234 1054 HG SER 128 HG SER 128 -3.121 -1.382 -9.658 1055 H GLU 129 H GLU 129 -7.177 0.997 -7.971 1056 HA GLU 129 HA GLU 129 -8.514 -1.326 -7.063 1057 1HB GLU 129 2HB GLU 129 -8.233 0.657 -5.655 1058 2HB GLU 129 1HB GLU 129 -9.259 1.586 -6.738 1059 1HG GLU 129 2HG GLU 129 -10.799 -0.615 -6.056 1060 2HG GLU 129 1HG GLU 129 -9.976 -0.173 -4.562 1061 H ALA 130 H ALA 130 -9.308 1.137 -9.440 1062 HA ALA 130 HA ALA 130 -12.016 0.386 -9.815 1063 1HB ALA 130 1HB ALA 130 -11.058 2.572 -10.493 1064 2HB ALA 130 2HB ALA 130 -11.960 1.772 -11.780 1065 3HB ALA 130 3HB ALA 130 -10.196 1.751 -11.794 1066 H GLN 131 H GLN 131 -9.031 -0.433 -11.563 1067 HA GLN 131 HA GLN 131 -10.212 -2.029 -13.542 1068 1HB GLN 131 2HB GLN 131 -7.471 -1.764 -12.399 1069 2HB GLN 131 1HB GLN 131 -7.814 -3.163 -13.407 1070 1HG GLN 131 2HG GLN 131 -8.640 -0.536 -14.469 1071 2HG GLN 131 1HG GLN 131 -6.907 -0.845 -14.369 1072 1HE2 GLN 131 1HE2 GLN 131 -9.936 -2.219 -15.559 1073 2HE2 GLN 131 2HE2 GLN 131 -9.245 -3.019 -16.925 1074 H ALA 132 H ALA 132 -9.166 -2.757 -10.268 1075 HA ALA 132 HA ALA 132 -9.528 -5.590 -10.524 1076 1HB ALA 132 1HB ALA 132 -9.264 -3.894 -8.043 1077 2HB ALA 132 2HB ALA 132 -7.936 -4.651 -8.921 1078 3HB ALA 132 3HB ALA 132 -9.144 -5.652 -8.115 1079 H LYS 133 H LYS 133 -11.512 -2.879 -9.590 1080 HA LYS 133 HA LYS 133 -13.554 -4.375 -8.295 1081 1HB LYS 133 2HB LYS 133 -12.968 -1.735 -8.450 1082 2HB LYS 133 1HB LYS 133 -14.303 -1.829 -9.589 1083 1HG LYS 133 2HG LYS 133 -14.439 -2.878 -6.774 1084 2HG LYS 133 1HG LYS 133 -14.947 -1.255 -7.247 1085 1HD LYS 133 2HD LYS 133 -16.957 -2.200 -7.571 1086 2HD LYS 133 1HD LYS 133 -16.255 -2.802 -9.074 1087 1HE LYS 133 2HE LYS 133 -15.688 -4.893 -8.037 1088 2HE LYS 133 1HE LYS 133 -16.177 -4.290 -6.455 1089 1HZ LYS 133 1HZ LYS 133 -18.421 -3.926 -7.827 1090 2HZ LYS 133 2HZ LYS 133 -18.075 -5.349 -6.981 1091 3HZ LYS 133 3HZ LYS 133 -17.807 -5.272 -8.649 1092 H LYS 134 H LYS 134 -13.328 -2.938 -11.546 1093 HA LYS 134 HA LYS 134 -15.799 -4.020 -12.437 1094 1HB LYS 134 2HB LYS 134 -13.441 -2.769 -13.810 1095 2HB LYS 134 1HB LYS 134 -14.729 -3.508 -14.752 1096 1HG LYS 134 2HG LYS 134 -14.979 -1.064 -14.462 1097 2HG LYS 134 1HG LYS 134 -16.347 -1.993 -13.844 1098 1HD LYS 134 2HD LYS 134 -15.757 -1.615 -11.622 1099 2HD LYS 134 1HD LYS 134 -14.094 -1.194 -12.037 1100 1HE LYS 134 2HE LYS 134 -14.668 0.952 -12.028 1101 2HE LYS 134 1HE LYS 134 -15.756 0.644 -13.380 1102 1HZ LYS 134 1HZ LYS 134 -17.164 1.518 -11.810 1103 2HZ LYS 134 2HZ LYS 134 -16.365 0.793 -10.507 1104 3HZ LYS 134 3HZ LYS 134 -17.352 -0.138 -11.517 1105 H GLU 135 H GLU 135 -12.527 -5.184 -12.349 1106 HA GLU 135 HA GLU 135 -13.036 -7.394 -14.140 1107 1HB GLU 135 2HB GLU 135 -10.671 -6.616 -12.440 1108 2HB GLU 135 1HB GLU 135 -10.718 -8.107 -13.370 1109 1HG GLU 135 2HG GLU 135 -11.304 -5.561 -14.777 1110 2HG GLU 135 1HG GLU 135 -9.636 -5.904 -14.324 1111 H LYS 136 H LYS 136 -13.265 -6.774 -10.749 1112 HA LYS 136 HA LYS 136 -13.849 -8.065 -8.968 1113 1HB LYS 136 2HB LYS 136 -14.893 -9.945 -11.096 1114 2HB LYS 136 1HB LYS 136 -15.343 -9.952 -9.396 1115 1HG LYS 136 2HG LYS 136 -15.745 -7.367 -10.685 1116 2HG LYS 136 1HG LYS 136 -16.688 -8.672 -11.408 1117 1HD LYS 136 2HD LYS 136 -16.695 -8.672 -8.479 1118 2HD LYS 136 1HD LYS 136 -17.419 -7.234 -9.201 1119 1HE LYS 136 2HE LYS 136 -19.208 -8.716 -9.005 1120 2HE LYS 136 1HE LYS 136 -18.711 -8.876 -10.689 1121 1HZ LYS 136 1HZ LYS 136 -17.558 -10.687 -8.687 1122 2HZ LYS 136 2HZ LYS 136 -17.846 -10.949 -10.332 1123 3HZ LYS 136 3HZ LYS 136 -19.133 -10.973 -9.236 1124 H LEU 137 H LEU 137 -11.254 -8.267 -9.434 1125 HA LEU 137 HA LEU 137 -10.190 -10.780 -10.037 1126 1HB LEU 137 2HB LEU 137 -9.154 -8.561 -8.282 1127 2HB LEU 137 1HB LEU 137 -8.218 -9.993 -8.668 1128 HG LEU 137 HG LEU 137 -9.319 -8.176 -10.802 1129 1HD1 LEU 137 1HD1 LEU 137 -6.992 -7.817 -9.029 1130 2HD1 LEU 137 2HD1 LEU 137 -7.939 -6.626 -9.921 1131 3HD1 LEU 137 3HD1 LEU 137 -6.701 -7.569 -10.752 1132 1HD2 LEU 137 1HD2 LEU 137 -8.134 -9.417 -12.274 1133 2HD2 LEU 137 2HD2 LEU 137 -8.335 -10.660 -11.040 1134 3HD2 LEU 137 3HD2 LEU 137 -6.834 -9.737 -11.126 1135 H ASN 138 H ASN 138 -10.058 -9.452 -6.745 1136 HA ASN 138 HA ASN 138 -11.063 -12.013 -5.720 1137 1HB ASN 138 2HB ASN 138 -8.445 -10.694 -5.116 1138 2HB ASN 138 1HB ASN 138 -9.250 -11.618 -3.851 1139 1HD2 ASN 138 1HD2 ASN 138 -6.897 -12.532 -4.511 1140 2HD2 ASN 138 2HD2 ASN 138 -6.991 -13.942 -5.505 1141 H ILE 139 H ILE 139 -9.687 -9.151 -4.130 1142 HA ILE 139 HA ILE 139 -11.475 -9.005 -2.044 1143 HB ILE 139 HB ILE 139 -10.900 -6.566 -1.913 1144 1HG1 ILE 139 2HG1 ILE 139 -9.323 -7.237 -4.409 1145 2HG1 ILE 139 1HG1 ILE 139 -10.660 -6.099 -4.292 1146 1HG2 ILE 139 1HG2 ILE 139 -9.078 -8.847 -1.828 1147 2HG2 ILE 139 2HG2 ILE 139 -9.368 -7.579 -0.637 1148 3HG2 ILE 139 3HG2 ILE 139 -8.263 -7.291 -1.980 1149 1HD1 ILE 139 1HD1 ILE 139 -8.909 -4.657 -4.225 1150 2HD1 ILE 139 2HD1 ILE 139 -7.840 -5.814 -3.431 1151 3HD1 ILE 139 3HD1 ILE 139 -9.084 -4.979 -2.499 1152 H TRP 140 H TRP 140 -11.774 -7.602 -5.270 1153 HA TRP 140 HA TRP 140 -14.396 -6.507 -4.572 1154 1HB TRP 140 2HB TRP 140 -12.846 -6.213 -7.151 1155 2HB TRP 140 1HB TRP 140 -14.290 -5.320 -6.688 1156 HD1 TRP 140 HD TRP 140 -10.931 -4.522 -7.136 1157 HE1 TRP 140 1HE TRP 140 -10.050 -2.749 -5.491 1158 HE3 TRP 140 3HE TRP 140 -14.596 -4.816 -3.582 1159 HZ2 TRP 140 2HZ TRP 140 -10.808 -1.624 -3.018 1160 HZ3 TRP 140 3HZ TRP 140 -14.443 -3.356 -1.608 1161 HH2 TRP 140 HH TRP 140 -12.587 -1.794 -1.333 1162 H SER 141 H SER 141 -13.985 -9.376 -4.783 1163 HA SER 141 HA SER 141 -15.674 -9.967 -7.125 1164 1HB SER 141 2HB SER 141 -14.703 -12.112 -7.278 1165 2HB SER 141 1HB SER 141 -13.342 -11.041 -6.948 1166 HG SER 141 HG SER 141 -13.743 -11.626 -4.661 1167 H GLU 142 H GLU 142 -16.576 -9.022 -4.509 1168 HA GLU 142 HA GLU 142 -18.432 -11.207 -3.940 1169 1HB GLU 142 2HB GLU 142 -18.180 -10.637 -1.457 1170 2HB GLU 142 1HB GLU 142 -16.908 -11.596 -2.200 1171 1HG GLU 142 2HG GLU 142 -15.361 -9.948 -2.018 1172 2HG GLU 142 1HG GLU 142 -16.554 -8.658 -2.176 1173 H ASP 143 H ASP 143 -18.662 -8.684 -5.353 1174 HA ASP 143 HA ASP 143 -20.971 -7.652 -3.941 1175 1HB ASP 143 2HB ASP 143 -18.801 -6.345 -3.278 1176 2HB ASP 143 1HB ASP 143 -18.982 -5.608 -4.867 1177 H ASN 144 H ASN 144 -21.855 -8.769 -5.838 1178 HA ASN 144 HA ASN 144 -21.350 -7.750 -8.461 1179 1HB ASN 144 2HB ASN 144 -23.358 -9.647 -7.282 1180 2HB ASN 144 1HB ASN 144 -23.546 -9.072 -8.936 1181 1HD2 ASN 144 1HD2 ASN 144 -21.390 -10.763 -6.739 1182 2HD2 ASN 144 2HD2 ASN 144 -20.555 -11.662 -7.955 1183 H ALA 145 H ALA 145 -22.814 -6.586 -9.798 1184 HA ALA 145 HA ALA 145 -24.082 -4.409 -8.462 1185 1HB ALA 145 1HB ALA 145 -24.490 -3.514 -10.614 1186 2HB ALA 145 2HB ALA 145 -24.360 -5.099 -11.378 1187 3HB ALA 145 3HB ALA 145 -22.925 -4.324 -10.707 1188 H ASP 146 H ASP 146 -25.621 -5.618 -7.165 1189 HA ASP 146 HA ASP 146 -27.715 -7.132 -8.330 1190 1HB ASP 146 2HB ASP 146 -26.843 -6.916 -5.825 1191 2HB ASP 146 1HB ASP 146 -28.140 -5.728 -5.733 1192 H SER 147 H SER 147 -30.084 -6.441 -7.859 1193 HA SER 147 HA SER 147 -30.553 -4.056 -9.396 1194 1HB SER 147 2HB SER 147 -32.021 -5.869 -9.854 1195 2HB SER 147 1HB SER 147 -32.379 -6.108 -8.144 1196 HG SER 147 HG SER 147 -33.020 -3.717 -9.510 1197 H GLY 148 H GLY 148 -29.920 -2.292 -8.189 1198 1HA GLY 148 2HA GLY 148 -30.904 -0.495 -6.918 1199 2HA GLY 148 1HA GLY 148 -31.649 -1.699 -5.877 1200 H GLN 149 H GLN 149 -29.530 0.641 -5.718 1201 HA GLN 149 HA GLN 149 -27.424 -0.798 -4.294 1202 1HB GLN 149 2HB GLN 149 -27.685 2.126 -5.018 1203 2HB GLN 149 1HB GLN 149 -26.302 1.412 -4.199 1204 1HG GLN 149 2HG GLN 149 -25.444 0.605 -6.094 1205 2HG GLN 149 1HG GLN 149 -27.014 0.071 -6.693 1206 1HE2 GLN 149 1HE2 GLN 149 -25.693 3.251 -5.836 1207 2HE2 GLN 149 2HE2 GLN 149 -26.038 3.994 -7.357 Start of MODEL 16 1 1H ALA 1 1HT ALA 1 15.751 20.496 -3.740 2 2H ALA 1 2HT ALA 1 16.051 19.022 -2.913 3 3H ALA 1 3HT ALA 1 14.521 19.787 -2.781 4 HA ALA 1 HA ALA 1 14.437 19.544 -5.286 5 1HB ALA 1 1HB ALA 1 15.850 18.099 -6.319 6 2HB ALA 1 2HB ALA 1 16.089 17.120 -4.871 7 3HB ALA 1 3HB ALA 1 16.935 18.658 -5.046 8 H THR 2 H THR 2 12.376 18.951 -5.078 9 HA THR 2 HA THR 2 11.786 16.452 -3.631 10 HB THR 2 HB THR 2 10.691 18.197 -2.473 11 HG1 THR 2 1HG THR 2 9.322 16.407 -3.059 12 1HG2 THR 2 1HG2 THR 2 10.732 20.103 -3.754 13 2HG2 THR 2 2HG2 THR 2 9.023 19.670 -3.795 14 3HG2 THR 2 3HG2 THR 2 10.061 19.296 -5.171 15 H SER 3 H SER 3 11.641 14.882 -5.110 16 HA SER 3 HA SER 3 10.696 15.343 -7.775 17 1HB SER 3 2HB SER 3 10.965 12.895 -8.042 18 2HB SER 3 1HB SER 3 12.403 13.649 -7.356 19 HG SER 3 HG SER 3 11.009 11.660 -6.355 20 H THR 4 H THR 4 8.645 15.449 -8.382 21 HA THR 4 HA THR 4 6.641 13.925 -6.853 22 HB THR 4 HB THR 4 5.102 15.904 -7.710 23 HG1 THR 4 1HG THR 4 6.200 17.485 -8.499 24 1HG2 THR 4 1HG2 THR 4 4.914 16.271 -5.544 25 2HG2 THR 4 2HG2 THR 4 6.469 17.103 -5.536 26 3HG2 THR 4 3HG2 THR 4 6.399 15.362 -5.262 27 H LYS 5 H LYS 5 7.698 12.636 -8.892 28 HA LYS 5 HA LYS 5 5.544 12.108 -10.605 29 1HB LYS 5 2HB LYS 5 6.713 12.826 -12.764 30 2HB LYS 5 1HB LYS 5 5.946 14.087 -11.808 31 1HG LYS 5 2HG LYS 5 8.597 13.877 -10.886 32 2HG LYS 5 1HG LYS 5 8.665 13.859 -12.649 33 1HD LYS 5 2HD LYS 5 7.777 15.971 -12.839 34 2HD LYS 5 1HD LYS 5 6.920 15.864 -11.299 35 1HE LYS 5 2HE LYS 5 9.502 15.701 -10.476 36 2HE LYS 5 1HE LYS 5 9.662 16.748 -11.887 37 1HZ LYS 5 1HZ LYS 5 9.056 17.642 -9.463 38 2HZ LYS 5 2HZ LYS 5 7.495 17.391 -10.062 39 3HZ LYS 5 3HZ LYS 5 8.559 18.416 -10.883 40 H LYS 6 H LYS 6 9.054 12.048 -10.234 41 HA LYS 6 HA LYS 6 9.413 9.671 -11.780 42 1HB LYS 6 2HB LYS 6 11.076 11.639 -10.691 43 2HB LYS 6 1HB LYS 6 11.528 10.158 -9.858 44 1HG LYS 6 2HG LYS 6 11.334 10.355 -12.849 45 2HG LYS 6 1HG LYS 6 12.816 10.689 -11.951 46 1HD LYS 6 2HD LYS 6 13.164 8.503 -11.449 47 2HD LYS 6 1HD LYS 6 11.439 8.144 -11.336 48 1HE LYS 6 2HE LYS 6 11.261 7.641 -13.538 49 2HE LYS 6 1HE LYS 6 12.464 8.837 -14.018 50 1HZ LYS 6 1HZ LYS 6 14.171 7.383 -13.715 51 2HZ LYS 6 2HZ LYS 6 12.962 6.283 -14.151 52 3HZ LYS 6 3HZ LYS 6 13.371 6.489 -12.523 53 H LEU 7 H LEU 7 8.582 10.345 -8.493 54 HA LEU 7 HA LEU 7 8.029 9.001 -6.743 55 1HB LEU 7 2HB LEU 7 6.820 7.776 -8.601 56 2HB LEU 7 1HB LEU 7 8.195 6.690 -8.670 57 HG LEU 7 HG LEU 7 6.787 7.096 -6.063 58 1HD1 LEU 7 1HD1 LEU 7 5.865 4.853 -7.732 59 2HD1 LEU 7 2HD1 LEU 7 5.292 6.451 -8.210 60 3HD1 LEU 7 3HD1 LEU 7 4.982 5.853 -6.579 61 1HD2 LEU 7 1HD2 LEU 7 8.751 5.823 -5.880 62 2HD2 LEU 7 2HD2 LEU 7 8.407 4.924 -7.358 63 3HD2 LEU 7 3HD2 LEU 7 7.442 4.642 -5.909 64 H HIS 8 H HIS 8 9.711 9.064 -5.370 65 HA HIS 8 HA HIS 8 11.861 7.090 -5.775 66 1HB HIS 8 2HB HIS 8 12.519 9.534 -6.063 67 2HB HIS 8 1HB HIS 8 12.214 9.719 -4.339 68 HD1 HIS 8 1HD HIS 8 15.018 10.219 -5.418 69 HD2 HIS 8 2HD HIS 8 13.722 6.531 -4.007 70 HE1 HIS 8 1HE HIS 8 17.105 8.979 -4.759 71 HE2 HIS 8 2HE HIS 8 16.302 6.719 -3.989 72 H LYS 9 H LYS 9 11.713 5.522 -4.330 73 HA LYS 9 HA LYS 9 10.548 6.095 -1.699 74 1HB LYS 9 2HB LYS 9 10.403 3.603 -1.504 75 2HB LYS 9 1HB LYS 9 9.463 4.278 -2.827 76 1HG LYS 9 2HG LYS 9 12.221 3.377 -3.431 77 2HG LYS 9 1HG LYS 9 11.001 2.141 -3.120 78 1HD LYS 9 2HD LYS 9 9.935 2.533 -5.062 79 2HD LYS 9 1HD LYS 9 10.125 4.283 -4.923 80 1HE LYS 9 2HE LYS 9 12.021 4.302 -6.141 81 2HE LYS 9 1HE LYS 9 12.608 2.795 -5.437 82 1HZ LYS 9 1HZ LYS 9 11.690 1.576 -7.069 83 2HZ LYS 9 2HZ LYS 9 11.761 3.019 -7.948 84 3HZ LYS 9 3HZ LYS 9 10.316 2.553 -7.202 85 H GLU 10 H GLU 10 11.553 5.101 0.208 86 HA GLU 10 HA GLU 10 14.188 4.075 0.138 87 1HB GLU 10 2HB GLU 10 14.271 6.709 -0.337 88 2HB GLU 10 1HB GLU 10 14.225 6.755 1.420 89 1HG GLU 10 2HG GLU 10 16.258 5.652 1.629 90 2HG GLU 10 1HG GLU 10 16.190 5.015 -0.014 91 H ALA 11 H ALA 11 14.483 2.940 1.942 92 HA ALA 11 HA ALA 11 13.316 3.845 4.451 93 1HB ALA 11 1HB ALA 11 11.543 2.492 3.506 94 2HB ALA 11 2HB ALA 11 12.252 1.677 4.898 95 3HB ALA 11 3HB ALA 11 12.660 1.150 3.267 96 H ALA 12 H ALA 12 14.352 0.538 3.795 97 HA ALA 12 HA ALA 12 17.036 0.598 4.242 98 1HB ALA 12 1HB ALA 12 15.617 1.330 6.659 99 2HB ALA 12 2HB ALA 12 17.340 1.412 6.293 100 3HB ALA 12 3HB ALA 12 16.637 -0.088 6.899 101 H THR 13 H THR 13 14.898 -1.138 6.476 102 HA THR 13 HA THR 13 14.976 -3.522 4.814 103 HB THR 13 HB THR 13 16.303 -3.349 7.520 104 HG1 THR 13 1HG THR 13 18.076 -3.655 6.424 105 1HG2 THR 13 1HG2 THR 13 14.967 -5.368 7.543 106 2HG2 THR 13 2HG2 THR 13 16.681 -5.758 7.396 107 3HG2 THR 13 3HG2 THR 13 15.631 -5.847 5.981 108 H LEU 14 H LEU 14 13.355 -4.989 5.274 109 HA LEU 14 HA LEU 14 11.288 -3.999 7.096 110 1HB LEU 14 2HB LEU 14 10.528 -4.368 4.852 111 2HB LEU 14 1HB LEU 14 11.218 -5.978 4.824 112 HG LEU 14 HG LEU 14 8.650 -5.664 5.118 113 1HD1 LEU 14 1HD1 LEU 14 10.016 -7.779 5.271 114 2HD1 LEU 14 2HD1 LEU 14 8.506 -7.764 6.182 115 3HD1 LEU 14 3HD1 LEU 14 10.040 -7.533 7.017 116 1HD2 LEU 14 1HD2 LEU 14 9.254 -5.683 8.025 117 2HD2 LEU 14 2HD2 LEU 14 7.806 -5.150 7.173 118 3HD2 LEU 14 3HD2 LEU 14 9.247 -4.132 7.187 119 H ILE 15 H ILE 15 11.104 -4.885 9.042 120 HA ILE 15 HA ILE 15 12.535 -7.246 9.772 121 HB ILE 15 HB ILE 15 10.438 -5.713 11.320 122 1HG1 ILE 15 2HG1 ILE 15 12.876 -5.252 12.507 123 2HG1 ILE 15 1HG1 ILE 15 13.297 -5.286 10.797 124 1HG2 ILE 15 1HG2 ILE 15 11.920 -6.881 13.216 125 2HG2 ILE 15 2HG2 ILE 15 12.066 -8.101 11.951 126 3HG2 ILE 15 3HG2 ILE 15 10.472 -7.626 12.537 127 1HD1 ILE 15 1HD1 ILE 15 12.769 -3.031 11.699 128 2HD1 ILE 15 2HD1 ILE 15 11.111 -3.577 11.951 129 3HD1 ILE 15 3HD1 ILE 15 11.779 -3.515 10.321 130 H LYS 16 H LYS 16 9.036 -6.506 9.773 131 HA LYS 16 HA LYS 16 8.299 -8.925 8.529 132 1HB LYS 16 2HB LYS 16 9.068 -9.466 11.047 133 2HB LYS 16 1HB LYS 16 7.385 -9.052 11.347 134 1HG LYS 16 2HG LYS 16 7.550 -10.816 9.099 135 2HG LYS 16 1HG LYS 16 8.436 -11.501 10.462 136 1HD LYS 16 2HD LYS 16 6.563 -11.823 11.682 137 2HD LYS 16 1HD LYS 16 5.815 -10.328 11.117 138 1HE LYS 16 2HE LYS 16 5.460 -11.498 8.903 139 2HE LYS 16 1HE LYS 16 5.928 -12.989 9.719 140 1HZ LYS 16 1HZ LYS 16 3.422 -12.134 9.566 141 2HZ LYS 16 2HZ LYS 16 3.869 -11.412 11.029 142 3HZ LYS 16 3HZ LYS 16 3.994 -13.089 10.840 143 H ALA 17 H ALA 17 6.131 -8.977 8.006 144 HA ALA 17 HA ALA 17 4.712 -6.492 8.355 145 1HB ALA 17 1HB ALA 17 4.700 -7.666 6.199 146 2HB ALA 17 2HB ALA 17 3.070 -7.430 6.832 147 3HB ALA 17 3HB ALA 17 3.841 -9.012 6.946 148 H ILE 18 H ILE 18 2.592 -6.288 9.220 149 HA ILE 18 HA ILE 18 2.020 -8.260 11.330 150 HB ILE 18 HB ILE 18 1.058 -5.403 11.258 151 1HG1 ILE 18 2HG1 ILE 18 3.497 -5.392 11.323 152 2HG1 ILE 18 1HG1 ILE 18 2.851 -4.926 12.893 153 1HG2 ILE 18 1HG2 ILE 18 0.804 -7.679 13.120 154 2HG2 ILE 18 2HG2 ILE 18 -0.292 -6.333 12.811 155 3HG2 ILE 18 3HG2 ILE 18 1.116 -6.103 13.849 156 1HD1 ILE 18 1HD1 ILE 18 4.017 -7.589 12.127 157 2HD1 ILE 18 2HD1 ILE 18 3.229 -7.252 13.669 158 3HD1 ILE 18 3HD1 ILE 18 4.704 -6.391 13.225 159 H ASP 19 H ASP 19 0.466 -6.146 8.926 160 HA ASP 19 HA ASP 19 -1.606 -8.122 8.527 161 1HB ASP 19 2HB ASP 19 -2.099 -5.548 9.943 162 2HB ASP 19 1HB ASP 19 -3.317 -6.095 8.795 163 H GLY 20 H GLY 20 0.191 -7.533 6.679 164 1HA GLY 20 2HA GLY 20 0.338 -6.975 4.454 165 2HA GLY 20 1HA GLY 20 -1.363 -6.545 4.520 166 H ASP 21 H ASP 21 -1.750 -4.409 5.790 167 HA ASP 21 HA ASP 21 -0.163 -2.391 4.466 168 1HB ASP 21 2HB ASP 21 -1.807 -0.818 5.545 169 2HB ASP 21 1HB ASP 21 -2.531 -2.028 4.490 170 H THR 22 H THR 22 -0.608 -3.667 7.687 171 HA THR 22 HA THR 22 1.171 -1.628 8.796 172 HB THR 22 HB THR 22 -0.025 -3.804 10.458 173 HG1 THR 22 1HG THR 22 -1.439 -1.606 9.371 174 1HG2 THR 22 1HG2 THR 22 1.463 -1.973 11.377 175 2HG2 THR 22 2HG2 THR 22 -0.093 -2.214 12.174 176 3HG2 THR 22 3HG2 THR 22 0.125 -0.870 11.052 177 H VAL 23 H VAL 23 3.255 -2.106 8.444 178 HA VAL 23 HA VAL 23 4.182 -4.783 9.233 179 HB VAL 23 HB VAL 23 5.808 -4.785 7.399 180 1HG1 VAL 23 1HG1 VAL 23 4.366 -5.714 5.924 181 2HG1 VAL 23 2HG1 VAL 23 3.284 -4.320 5.936 182 3HG1 VAL 23 3HG1 VAL 23 3.225 -5.494 7.252 183 1HG2 VAL 23 1HG2 VAL 23 5.786 -3.162 5.648 184 2HG2 VAL 23 2HG2 VAL 23 5.907 -2.293 7.178 185 3HG2 VAL 23 3HG2 VAL 23 4.366 -2.367 6.325 186 H LYS 24 H LYS 24 6.228 -4.896 10.154 187 HA LYS 24 HA LYS 24 7.173 -2.396 11.295 188 1HB LYS 24 2HB LYS 24 7.307 -5.223 11.999 189 2HB LYS 24 1HB LYS 24 8.856 -4.415 12.190 190 1HG LYS 24 2HG LYS 24 7.168 -2.627 13.354 191 2HG LYS 24 1HG LYS 24 6.393 -4.163 13.748 192 1HD LYS 24 2HD LYS 24 8.019 -4.750 15.182 193 2HD LYS 24 1HD LYS 24 9.299 -4.163 14.118 194 1HE LYS 24 2HE LYS 24 8.742 -1.847 14.819 195 2HE LYS 24 1HE LYS 24 7.581 -2.512 15.966 196 1HZ LYS 24 1HZ LYS 24 10.022 -1.945 16.679 197 2HZ LYS 24 2HZ LYS 24 10.341 -3.487 16.063 198 3HZ LYS 24 3HZ LYS 24 9.222 -3.293 17.317 199 H LEU 25 H LEU 25 8.462 -1.236 10.015 200 HA LEU 25 HA LEU 25 10.546 -2.635 8.475 201 1HB LEU 25 2HB LEU 25 8.663 -0.877 7.577 202 2HB LEU 25 1HB LEU 25 10.022 0.193 7.866 203 HG LEU 25 HG LEU 25 10.613 -2.276 6.345 204 1HD1 LEU 25 1HD1 LEU 25 8.840 -1.977 4.990 205 2HD1 LEU 25 2HD1 LEU 25 9.841 -0.697 4.305 206 3HD1 LEU 25 3HD1 LEU 25 8.599 -0.305 5.494 207 1HD2 LEU 25 1HD2 LEU 25 11.816 -0.435 4.980 208 2HD2 LEU 25 2HD2 LEU 25 12.436 -0.865 6.573 209 3HD2 LEU 25 3HD2 LEU 25 11.464 0.591 6.370 210 H MET 26 H MET 26 12.627 -2.261 8.885 211 HA MET 26 HA MET 26 13.325 -0.591 11.135 212 1HB MET 26 2HB MET 26 14.286 -2.945 10.401 213 2HB MET 26 1HB MET 26 15.381 -1.950 9.451 214 1HG MET 26 2HG MET 26 16.380 -1.032 11.313 215 2HG MET 26 1HG MET 26 14.996 -1.373 12.351 216 1HE MET 26 1HE MET 26 15.299 -2.757 14.154 217 2HE MET 26 2HE MET 26 15.939 -4.400 14.157 218 3HE MET 26 3HE MET 26 14.466 -4.029 13.260 219 H TYR 27 H TYR 27 13.218 1.533 10.612 220 HA TYR 27 HA TYR 27 14.668 2.444 8.227 221 1HB TYR 27 2HB TYR 27 12.320 3.153 8.379 222 2HB TYR 27 1HB TYR 27 12.644 3.904 9.939 223 HD1 TYR 27 2HD TYR 27 14.145 5.900 10.050 224 HD2 TYR 27 1HD TYR 27 12.818 4.276 6.349 225 HE1 TYR 27 2HE TYR 27 14.749 7.999 8.919 226 HE2 TYR 27 1HE TYR 27 13.418 6.370 5.207 227 HH TYR 27 HH TYR 27 13.884 9.191 6.665 228 H LYS 28 H LYS 28 16.307 3.915 8.357 229 HA LYS 28 HA LYS 28 18.215 4.766 9.267 230 1HB LYS 28 2HB LYS 28 17.861 6.694 10.519 231 2HB LYS 28 1HB LYS 28 16.341 6.484 9.666 232 1HG LYS 28 2HG LYS 28 15.254 6.543 11.590 233 2HG LYS 28 1HG LYS 28 16.129 5.114 12.138 234 1HD LYS 28 2HD LYS 28 18.030 6.821 12.657 235 2HD LYS 28 1HD LYS 28 16.716 7.999 12.629 236 1HE LYS 28 2HE LYS 28 16.243 5.542 14.198 237 2HE LYS 28 1HE LYS 28 17.460 6.649 14.832 238 1HZ LYS 28 1HZ LYS 28 15.550 8.376 14.310 239 2HZ LYS 28 2HZ LYS 28 15.623 7.541 15.779 240 3HZ LYS 28 3HZ LYS 28 14.578 7.014 14.559 241 H GLY 29 H GLY 29 17.408 2.145 10.350 242 1HA GLY 29 2HA GLY 29 18.606 0.752 11.795 243 2HA GLY 29 1HA GLY 29 19.214 2.174 12.625 244 H GLN 30 H GLN 30 15.801 2.029 12.132 245 HA GLN 30 HA GLN 30 15.400 0.906 14.808 246 1HB GLN 30 2HB GLN 30 13.945 2.696 15.495 247 2HB GLN 30 1HB GLN 30 15.490 3.378 15.014 248 1HG GLN 30 2HG GLN 30 14.621 4.361 13.122 249 2HG GLN 30 1HG GLN 30 13.258 3.248 13.040 250 1HE2 GLN 30 1HE2 GLN 30 12.010 3.375 15.319 251 2HE2 GLN 30 2HE2 GLN 30 11.509 4.980 15.715 252 H ALA 31 H ALA 31 13.699 -0.414 14.976 253 HA ALA 31 HA ALA 31 12.165 -0.991 12.599 254 1HB ALA 31 1HB ALA 31 11.296 -2.878 13.848 255 2HB ALA 31 2HB ALA 31 12.011 -2.253 15.333 256 3HB ALA 31 3HB ALA 31 13.049 -2.796 14.015 257 H MET 32 H MET 32 10.699 0.602 12.210 258 HA MET 32 HA MET 32 8.809 1.260 14.366 259 1HB MET 32 2HB MET 32 8.291 3.292 13.127 260 2HB MET 32 1HB MET 32 10.021 3.183 13.423 261 1HG MET 32 2HG MET 32 10.099 2.119 11.061 262 2HG MET 32 1HG MET 32 8.517 2.871 10.865 263 1HE MET 32 1HE MET 32 8.085 5.427 10.720 264 2HE MET 32 2HE MET 32 9.268 6.651 11.184 265 3HE MET 32 3HE MET 32 8.630 5.539 12.395 266 H THR 33 H THR 33 6.562 1.368 13.879 267 HA THR 33 HA THR 33 5.717 -0.704 12.068 268 HB THR 33 HB THR 33 3.977 1.159 13.687 269 HG1 THR 33 1HG THR 33 4.064 -0.507 15.266 270 1HG2 THR 33 1HG2 THR 33 3.478 -1.642 12.711 271 2HG2 THR 33 2HG2 THR 33 2.759 -0.173 12.049 272 3HG2 THR 33 3HG2 THR 33 2.388 -0.670 13.701 273 H PHE 34 H PHE 34 5.523 -0.312 9.969 274 HA PHE 34 HA PHE 34 4.786 2.364 9.052 275 1HB PHE 34 2HB PHE 34 6.132 0.007 7.817 276 2HB PHE 34 1HB PHE 34 5.246 1.098 6.758 277 HD1 PHE 34 1HD PHE 34 8.075 0.805 9.081 278 HD2 PHE 34 2HD PHE 34 6.054 3.290 6.279 279 HE1 PHE 34 1HE PHE 34 10.006 2.328 9.044 280 HE2 PHE 34 2HE PHE 34 7.981 4.819 6.238 281 HZ PHE 34 HZ PHE 34 9.960 4.339 7.622 282 H ARG 35 H ARG 35 2.923 2.821 7.980 283 HA ARG 35 HA ARG 35 1.035 0.596 7.578 284 1HB ARG 35 2HB ARG 35 0.677 3.223 8.922 285 2HB ARG 35 1HB ARG 35 -0.668 2.614 7.967 286 1HG ARG 35 2HG ARG 35 0.193 0.450 9.515 287 2HG ARG 35 1HG ARG 35 0.202 1.847 10.592 288 1HD ARG 35 2HD ARG 35 -1.963 0.566 10.491 289 2HD ARG 35 1HD ARG 35 -2.087 2.296 10.178 290 HE ARG 35 HE ARG 35 -1.793 0.702 7.802 291 1HH1 ARG 35 1HH1 ARG 35 -4.060 2.023 10.103 292 2HH1 ARG 35 2HH1 ARG 35 -5.396 1.975 9.002 293 1HH2 ARG 35 1HH2 ARG 35 -3.549 0.639 6.353 294 2HH2 ARG 35 2HH2 ARG 35 -5.106 1.189 6.873 295 H LEU 36 H LEU 36 0.319 0.367 5.572 296 HA LEU 36 HA LEU 36 1.169 1.920 3.422 297 1HB LEU 36 2HB LEU 36 -0.198 -0.448 3.754 298 2HB LEU 36 1HB LEU 36 -1.389 0.579 2.986 299 HG LEU 36 HG LEU 36 -0.397 -0.418 1.159 300 1HD1 LEU 36 1HD1 LEU 36 1.502 1.888 1.481 301 2HD1 LEU 36 2HD1 LEU 36 -0.207 2.109 1.105 302 3HD1 LEU 36 3HD1 LEU 36 0.834 1.217 -0.005 303 1HD2 LEU 36 1HD2 LEU 36 2.309 -0.383 1.229 304 2HD2 LEU 36 2HD2 LEU 36 1.316 -1.747 1.743 305 3HD2 LEU 36 3HD2 LEU 36 1.932 -0.606 2.938 306 H LEU 37 H LEU 37 0.681 3.949 2.947 307 HA LEU 37 HA LEU 37 -1.629 5.254 4.026 308 1HB LEU 37 2HB LEU 37 0.824 6.017 2.686 309 2HB LEU 37 1HB LEU 37 -0.546 6.913 2.058 310 HG LEU 37 HG LEU 37 0.240 6.766 4.969 311 1HD1 LEU 37 1HD1 LEU 37 0.873 8.675 2.779 312 2HD1 LEU 37 2HD1 LEU 37 1.871 8.124 4.125 313 3HD1 LEU 37 3HD1 LEU 37 0.593 9.310 4.401 314 1HD2 LEU 37 1HD2 LEU 37 -1.413 8.560 5.248 315 2HD2 LEU 37 2HD2 LEU 37 -2.152 7.063 4.677 316 3HD2 LEU 37 3HD2 LEU 37 -1.868 8.390 3.552 317 H LEU 38 H LEU 38 -3.511 5.798 3.054 318 HA LEU 38 HA LEU 38 -5.254 5.680 1.598 319 1HB LEU 38 2HB LEU 38 -2.961 6.113 -0.303 320 2HB LEU 38 1HB LEU 38 -4.626 6.044 -0.846 321 HG LEU 38 HG LEU 38 -3.433 8.071 1.045 322 1HD1 LEU 38 1HD1 LEU 38 -2.830 8.911 -0.966 323 2HD1 LEU 38 2HD1 LEU 38 -4.497 9.488 -0.957 324 3HD1 LEU 38 3HD1 LEU 38 -4.077 8.020 -1.838 325 1HD2 LEU 38 1HD2 LEU 38 -5.531 8.048 1.897 326 2HD2 LEU 38 2HD2 LEU 38 -6.231 7.325 0.449 327 3HD2 LEU 38 3HD2 LEU 38 -5.861 9.050 0.484 328 H VAL 39 H VAL 39 -3.707 3.198 2.313 329 HA VAL 39 HA VAL 39 -4.922 1.465 0.280 330 HB VAL 39 HB VAL 39 -2.154 1.025 1.409 331 1HG1 VAL 39 1HG1 VAL 39 -3.536 -0.483 -0.795 332 2HG1 VAL 39 2HG1 VAL 39 -3.531 -1.007 0.889 333 3HG1 VAL 39 3HG1 VAL 39 -2.013 -0.879 -0.000 334 1HG2 VAL 39 1HG2 VAL 39 -2.551 2.890 -0.364 335 2HG2 VAL 39 2HG2 VAL 39 -2.707 1.535 -1.478 336 3HG2 VAL 39 3HG2 VAL 39 -1.217 1.759 -0.562 337 H ASP 40 H ASP 40 -5.765 -0.455 1.085 338 HA ASP 40 HA ASP 40 -5.481 -0.883 3.986 339 1HB ASP 40 2HB ASP 40 -7.935 -0.508 2.368 340 2HB ASP 40 1HB ASP 40 -7.988 -1.800 3.565 341 H THR 41 H THR 41 -4.373 -2.712 4.177 342 HA THR 41 HA THR 41 -5.003 -4.939 2.362 343 HB THR 41 HB THR 41 -2.591 -5.047 4.088 344 HG1 THR 41 1HG THR 41 -1.619 -3.418 3.196 345 1HG2 THR 41 1HG2 THR 41 -1.632 -6.239 2.377 346 2HG2 THR 41 2HG2 THR 41 -2.656 -5.502 1.145 347 3HG2 THR 41 3HG2 THR 41 -3.326 -6.710 2.241 348 H ALA 42 H ALA 42 -6.867 -5.501 3.630 349 HA ALA 42 HA ALA 42 -7.955 -6.825 5.129 350 1HB ALA 42 1HB ALA 42 -6.158 -8.426 4.534 351 2HB ALA 42 2HB ALA 42 -6.760 -8.627 6.179 352 3HB ALA 42 3HB ALA 42 -5.216 -7.821 5.898 353 H GLU 43 H GLU 43 -7.866 -7.479 7.601 354 HA GLU 43 HA GLU 43 -6.524 -5.845 9.441 355 1HB GLU 43 2HB GLU 43 -8.055 -4.155 8.263 356 2HB GLU 43 1HB GLU 43 -9.383 -4.968 9.080 357 1HG GLU 43 2HG GLU 43 -9.010 -3.404 10.644 358 2HG GLU 43 1HG GLU 43 -7.766 -4.534 11.173 359 H THR 44 H THR 44 -7.290 -8.564 9.130 360 HA THR 44 HA THR 44 -9.282 -8.978 11.239 361 HB THR 44 HB THR 44 -9.451 -11.239 10.481 362 HG1 THR 44 1HG THR 44 -8.040 -12.031 8.861 363 1HG2 THR 44 1HG2 THR 44 -9.074 -9.765 7.906 364 2HG2 THR 44 2HG2 THR 44 -10.430 -9.425 8.981 365 3HG2 THR 44 3HG2 THR 44 -10.228 -11.039 8.299 366 H LYS 45 H LYS 45 -7.848 -8.263 12.912 367 HA LYS 45 HA LYS 45 -5.643 -10.106 13.519 368 1HB LYS 45 2HB LYS 45 -5.088 -8.292 15.255 369 2HB LYS 45 1HB LYS 45 -4.796 -7.927 13.560 370 1HG LYS 45 2HG LYS 45 -7.465 -7.171 14.444 371 2HG LYS 45 1HG LYS 45 -6.178 -6.358 15.337 372 1HD LYS 45 2HD LYS 45 -5.191 -6.007 12.914 373 2HD LYS 45 1HD LYS 45 -6.881 -6.209 12.445 374 1HE LYS 45 2HE LYS 45 -5.954 -4.260 14.546 375 2HE LYS 45 1HE LYS 45 -6.148 -3.838 12.846 376 1HZ LYS 45 1HZ LYS 45 -8.393 -3.906 12.990 377 2HZ LYS 45 2HZ LYS 45 -8.075 -3.522 14.607 378 3HZ LYS 45 3HZ LYS 45 -8.412 -5.121 14.167 379 H HIS 46 H HIS 46 -8.504 -10.693 13.953 380 HA HIS 46 HA HIS 46 -8.268 -11.701 16.624 381 1HB HIS 46 2HB HIS 46 -10.356 -10.591 17.455 382 2HB HIS 46 1HB HIS 46 -8.988 -9.501 17.250 383 HD1 HIS 46 1HD HIS 46 -12.396 -10.239 15.942 384 HD2 HIS 46 2HD HIS 46 -9.272 -7.606 15.183 385 HE1 HIS 46 1HE HIS 46 -13.360 -8.469 14.439 386 HE2 HIS 46 2HE HIS 46 -11.473 -6.842 14.059 387 H THR 47 H THR 47 -8.759 -12.634 13.869 388 HA THR 47 HA THR 47 -9.955 -14.264 12.831 389 HB THR 47 HB THR 47 -11.570 -14.710 15.320 390 HG1 THR 47 1HG THR 47 -9.823 -15.033 16.403 391 1HG2 THR 47 1HG2 THR 47 -10.576 -17.112 14.458 392 2HG2 THR 47 2HG2 THR 47 -10.880 -16.244 12.953 393 3HG2 THR 47 3HG2 THR 47 -12.184 -16.472 14.118 394 H LYS 48 H LYS 48 -10.844 -12.334 11.715 395 HA LYS 48 HA LYS 48 -13.205 -11.049 12.306 396 1HB LYS 48 2HB LYS 48 -11.481 -10.961 10.231 397 2HB LYS 48 1HB LYS 48 -12.835 -11.778 9.463 398 1HG LYS 48 2HG LYS 48 -14.294 -9.902 10.297 399 2HG LYS 48 1HG LYS 48 -12.809 -9.063 10.752 400 1HD LYS 48 2HD LYS 48 -12.234 -9.762 8.200 401 2HD LYS 48 1HD LYS 48 -13.981 -9.538 8.093 402 1HE LYS 48 2HE LYS 48 -12.974 -7.446 7.583 403 2HE LYS 48 1HE LYS 48 -13.669 -7.309 9.197 404 1HZ LYS 48 1HZ LYS 48 -10.826 -7.546 8.434 405 2HZ LYS 48 2HZ LYS 48 -11.343 -7.927 9.998 406 3HZ LYS 48 3HZ LYS 48 -11.570 -6.365 9.390 407 H LYS 49 H LYS 49 -12.900 -13.913 10.192 408 HA LYS 49 HA LYS 49 -15.109 -15.254 11.283 409 1HB LYS 49 2HB LYS 49 -16.795 -14.954 9.576 410 2HB LYS 49 1HB LYS 49 -16.368 -13.391 10.256 411 1HG LYS 49 2HG LYS 49 -16.322 -12.801 8.083 412 2HG LYS 49 1HG LYS 49 -14.678 -13.433 8.183 413 1HD LYS 49 2HD LYS 49 -15.487 -14.503 6.300 414 2HD LYS 49 1HD LYS 49 -15.803 -15.697 7.558 415 1HE LYS 49 2HE LYS 49 -17.767 -15.559 6.233 416 2HE LYS 49 1HE LYS 49 -18.114 -14.732 7.750 417 1HZ LYS 49 1HZ LYS 49 -17.378 -13.419 5.190 418 2HZ LYS 49 2HZ LYS 49 -17.698 -12.619 6.646 419 3HZ LYS 49 3HZ LYS 49 -18.929 -13.475 5.863 420 H GLY 50 H GLY 50 -13.172 -14.671 8.381 421 1HA GLY 50 2HA GLY 50 -11.989 -17.087 8.144 422 2HA GLY 50 1HA GLY 50 -13.562 -17.364 7.411 423 H VAL 51 H VAL 51 -11.085 -14.801 7.310 424 HA VAL 51 HA VAL 51 -10.297 -13.540 5.596 425 HB VAL 51 HB VAL 51 -10.203 -16.370 4.687 426 1HG1 VAL 51 1HG1 VAL 51 -9.761 -14.006 2.979 427 2HG1 VAL 51 2HG1 VAL 51 -10.145 -15.668 2.531 428 3HG1 VAL 51 3HG1 VAL 51 -8.486 -15.225 2.933 429 1HG2 VAL 51 1HG2 VAL 51 -8.570 -16.057 6.242 430 2HG2 VAL 51 2HG2 VAL 51 -8.317 -14.369 5.797 431 3HG2 VAL 51 3HG2 VAL 51 -7.679 -15.656 4.774 432 H GLU 52 H GLU 52 -12.727 -12.850 5.667 433 HA GLU 52 HA GLU 52 -14.361 -13.551 3.438 434 1HB GLU 52 2HB GLU 52 -15.672 -11.495 4.145 435 2HB GLU 52 1HB GLU 52 -15.499 -12.760 5.354 436 1HG GLU 52 2HG GLU 52 -14.198 -11.491 6.703 437 2HG GLU 52 1HG GLU 52 -13.468 -10.612 5.360 438 H LYS 53 H LYS 53 -11.890 -11.164 3.994 439 HA LYS 53 HA LYS 53 -12.299 -10.175 1.250 440 1HB LYS 53 2HB LYS 53 -11.162 -8.463 3.447 441 2HB LYS 53 1HB LYS 53 -11.788 -7.960 1.883 442 1HG LYS 53 2HG LYS 53 -13.568 -9.235 3.924 443 2HG LYS 53 1HG LYS 53 -13.203 -7.510 3.969 444 1HD LYS 53 2HD LYS 53 -14.170 -8.788 1.440 445 2HD LYS 53 1HD LYS 53 -15.315 -8.333 2.703 446 1HE LYS 53 2HE LYS 53 -15.325 -6.364 1.599 447 2HE LYS 53 1HE LYS 53 -13.873 -6.071 2.554 448 1HZ LYS 53 1HZ LYS 53 -12.507 -6.473 0.758 449 2HZ LYS 53 2HZ LYS 53 -13.813 -5.692 0.020 450 3HZ LYS 53 3HZ LYS 53 -13.669 -7.374 -0.079 451 H TYR 54 H TYR 54 -10.653 -12.338 1.866 452 HA TYR 54 HA TYR 54 -8.552 -13.145 1.540 453 1HB TYR 54 2HB TYR 54 -8.352 -10.497 0.104 454 2HB TYR 54 1HB TYR 54 -7.030 -11.662 0.122 455 HD1 TYR 54 2HD TYR 54 -10.450 -11.015 -1.062 456 HD2 TYR 54 1HD TYR 54 -7.148 -13.695 -1.164 457 HE1 TYR 54 2HE TYR 54 -11.476 -12.197 -2.957 458 HE2 TYR 54 1HE TYR 54 -8.165 -14.885 -3.060 459 HH TYR 54 HH TYR 54 -10.319 -15.223 -4.081 460 H GLY 55 H GLY 55 -9.037 -12.005 4.038 461 1HA GLY 55 2HA GLY 55 -7.150 -10.138 4.912 462 2HA GLY 55 1HA GLY 55 -7.927 -11.339 5.930 463 H ALA 56 H ALA 56 -6.895 -13.644 4.597 464 HA ALA 56 HA ALA 56 -4.325 -13.763 5.869 465 1HB ALA 56 1HB ALA 56 -5.590 -15.869 4.128 466 2HB ALA 56 2HB ALA 56 -5.991 -15.639 5.829 467 3HB ALA 56 3HB ALA 56 -4.350 -16.089 5.363 468 H GLU 57 H GLU 57 -5.458 -14.111 2.509 469 HA GLU 57 HA GLU 57 -2.946 -14.448 1.328 470 1HB GLU 57 2HB GLU 57 -5.328 -14.708 0.329 471 2HB GLU 57 1HB GLU 57 -5.181 -12.999 -0.055 472 1HG GLU 57 2HG GLU 57 -4.226 -13.644 -1.949 473 2HG GLU 57 1HG GLU 57 -2.814 -14.055 -0.977 474 H ALA 58 H ALA 58 -4.594 -11.586 2.429 475 HA ALA 58 HA ALA 58 -3.093 -9.670 0.990 476 1HB ALA 58 1HB ALA 58 -3.827 -8.350 3.260 477 2HB ALA 58 2HB ALA 58 -5.006 -9.661 3.208 478 3HB ALA 58 3HB ALA 58 -4.850 -8.563 1.838 479 H SER 59 H SER 59 -2.739 -10.993 4.268 480 HA SER 59 HA SER 59 -0.395 -9.492 4.866 481 1HB SER 59 2HB SER 59 -0.214 -11.400 6.684 482 2HB SER 59 1HB SER 59 -1.467 -10.166 6.798 483 HG SER 59 HG SER 59 -2.682 -11.903 6.927 484 H ALA 60 H ALA 60 -0.980 -12.773 3.683 485 HA ALA 60 HA ALA 60 1.659 -13.710 3.842 486 1HB ALA 60 1HB ALA 60 0.678 -15.095 1.732 487 2HB ALA 60 2HB ALA 60 -0.814 -14.541 2.492 488 3HB ALA 60 3HB ALA 60 0.349 -15.488 3.420 489 H PHE 61 H PHE 61 -0.079 -12.171 1.145 490 HA PHE 61 HA PHE 61 2.006 -12.305 -0.722 491 1HB PHE 61 2HB PHE 61 -0.214 -11.809 -1.477 492 2HB PHE 61 1HB PHE 61 -0.306 -10.380 -0.456 493 HD1 PHE 61 2HD PHE 61 2.746 -11.113 -2.329 494 HD2 PHE 61 1HD PHE 61 -0.939 -8.984 -2.331 495 HE1 PHE 61 2HE PHE 61 3.552 -9.725 -4.194 496 HE2 PHE 61 1HE PHE 61 -0.138 -7.593 -4.196 497 HZ PHE 61 HZ PHE 61 2.109 -7.961 -5.128 498 H THR 62 H THR 62 1.133 -9.742 1.576 499 HA THR 62 HA THR 62 3.272 -8.022 0.778 500 HB THR 62 HB THR 62 1.625 -7.993 3.315 501 HG1 THR 62 1HG THR 62 0.105 -7.357 2.041 502 1HG2 THR 62 1HG2 THR 62 2.510 -5.436 2.304 503 2HG2 THR 62 2HG2 THR 62 3.860 -6.480 2.746 504 3HG2 THR 62 3HG2 THR 62 2.609 -6.108 3.931 505 H LYS 63 H LYS 63 2.831 -10.503 3.196 506 HA LYS 63 HA LYS 63 5.184 -9.920 4.693 507 1HB LYS 63 2HB LYS 63 3.430 -11.115 5.779 508 2HB LYS 63 1HB LYS 63 3.394 -12.340 4.522 509 1HG LYS 63 2HG LYS 63 6.010 -12.317 5.597 510 2HG LYS 63 1HG LYS 63 4.876 -12.305 6.948 511 1HD LYS 63 2HD LYS 63 4.612 -14.496 6.658 512 2HD LYS 63 1HD LYS 63 3.829 -14.143 5.116 513 1HE LYS 63 2HE LYS 63 5.841 -14.417 3.917 514 2HE LYS 63 1HE LYS 63 6.815 -14.361 5.385 515 1HZ LYS 63 1HZ LYS 63 5.288 -16.458 5.917 516 2HZ LYS 63 2HZ LYS 63 6.769 -16.585 5.109 517 3HZ LYS 63 3HZ LYS 63 5.324 -16.576 4.229 518 H LYS 64 H LYS 64 4.416 -12.260 2.132 519 HA LYS 64 HA LYS 64 7.052 -13.385 2.120 520 1HB LYS 64 2HB LYS 64 6.302 -14.609 0.140 521 2HB LYS 64 1HB LYS 64 5.112 -14.707 1.431 522 1HG LYS 64 2HG LYS 64 3.598 -14.087 -0.062 523 2HG LYS 64 1HG LYS 64 4.336 -12.485 -0.029 524 1HD LYS 64 2HD LYS 64 5.212 -12.728 -2.076 525 2HD LYS 64 1HD LYS 64 5.753 -14.375 -1.744 526 1HE LYS 64 2HE LYS 64 4.027 -15.237 -2.851 527 2HE LYS 64 1HE LYS 64 2.880 -14.267 -1.927 528 1HZ LYS 64 1HZ LYS 64 4.389 -12.886 -4.003 529 2HZ LYS 64 2HZ LYS 64 2.774 -12.701 -3.532 530 3HZ LYS 64 3HZ LYS 64 3.220 -13.991 -4.530 531 H MET 65 H MET 65 5.399 -10.847 0.369 532 HA MET 65 HA MET 65 7.329 -10.578 -1.704 533 1HB MET 65 2HB MET 65 5.018 -9.753 -1.920 534 2HB MET 65 1HB MET 65 5.329 -8.563 -0.663 535 1HG MET 65 2HG MET 65 6.850 -7.378 -2.032 536 2HG MET 65 1HG MET 65 6.890 -8.676 -3.224 537 1HE MET 65 1HE MET 65 5.634 -5.176 -2.791 538 2HE MET 65 2HE MET 65 5.005 -5.206 -4.438 539 3HE MET 65 3HE MET 65 6.618 -5.834 -4.098 540 H VAL 66 H VAL 66 7.006 -9.279 1.522 541 HA VAL 66 HA VAL 66 9.142 -7.354 1.130 542 HB VAL 66 HB VAL 66 8.804 -6.750 3.470 543 1HG1 VAL 66 1HG1 VAL 66 7.380 -5.511 2.158 544 2HG1 VAL 66 2HG1 VAL 66 6.240 -6.280 3.263 545 3HG1 VAL 66 3HG1 VAL 66 6.460 -6.920 1.634 546 1HG2 VAL 66 1HG2 VAL 66 6.899 -7.838 4.713 547 2HG2 VAL 66 2HG2 VAL 66 8.340 -8.834 4.507 548 3HG2 VAL 66 3HG2 VAL 66 6.929 -9.106 3.488 549 H GLU 67 H GLU 67 8.611 -10.340 2.979 550 HA GLU 67 HA GLU 67 11.204 -10.408 4.124 551 1HB GLU 67 2HB GLU 67 9.199 -12.625 3.676 552 2HB GLU 67 1HB GLU 67 10.650 -12.772 4.657 553 1HG GLU 67 2HG GLU 67 8.985 -10.500 5.397 554 2HG GLU 67 1HG GLU 67 8.168 -12.054 5.555 555 H ASN 68 H ASN 68 9.955 -11.329 1.039 556 HA ASN 68 HA ASN 68 12.308 -12.947 0.425 557 1HB ASN 68 2HB ASN 68 9.936 -13.619 -0.236 558 2HB ASN 68 1HB ASN 68 10.017 -12.334 -1.438 559 1HD2 ASN 68 1HD2 ASN 68 10.745 -12.868 -3.362 560 2HD2 ASN 68 2HD2 ASN 68 11.696 -14.259 -3.741 561 H ALA 69 H ALA 69 10.837 -9.867 -0.370 562 HA ALA 69 HA ALA 69 12.249 -9.157 -2.641 563 1HB ALA 69 1HB ALA 69 11.129 -7.545 -0.378 564 2HB ALA 69 2HB ALA 69 10.537 -7.706 -2.032 565 3HB ALA 69 3HB ALA 69 11.996 -6.771 -1.706 566 H LYS 70 H LYS 70 13.191 -8.741 0.754 567 HA LYS 70 HA LYS 70 15.292 -8.777 1.690 568 1HB LYS 70 2HB LYS 70 16.545 -8.394 -1.021 569 2HB LYS 70 1HB LYS 70 17.277 -9.046 0.437 570 1HG LYS 70 2HG LYS 70 15.110 -10.721 -0.116 571 2HG LYS 70 1HG LYS 70 15.881 -10.407 -1.671 572 1HD LYS 70 2HD LYS 70 16.848 -12.376 -0.613 573 2HD LYS 70 1HD LYS 70 18.043 -11.082 -0.728 574 1HE LYS 70 2HE LYS 70 18.395 -11.283 1.456 575 2HE LYS 70 1HE LYS 70 16.747 -10.722 1.735 576 1HZ LYS 70 1HZ LYS 70 16.311 -13.284 1.171 577 2HZ LYS 70 2HZ LYS 70 16.561 -12.709 2.741 578 3HZ LYS 70 3HZ LYS 70 17.841 -13.406 1.882 579 H LYS 71 H LYS 71 14.412 -6.455 -0.770 580 HA LYS 71 HA LYS 71 15.677 -4.352 0.853 581 1HB LYS 71 2HB LYS 71 16.942 -4.644 -1.218 582 2HB LYS 71 1HB LYS 71 15.470 -4.467 -2.163 583 1HG LYS 71 2HG LYS 71 15.411 -2.162 -0.780 584 2HG LYS 71 1HG LYS 71 17.154 -2.426 -0.873 585 1HD LYS 71 2HD LYS 71 15.651 -2.858 -3.373 586 2HD LYS 71 1HD LYS 71 15.714 -1.192 -2.793 587 1HE LYS 71 2HE LYS 71 18.275 -2.624 -2.703 588 2HE LYS 71 1HE LYS 71 17.624 -2.383 -4.324 589 1HZ LYS 71 1HZ LYS 71 18.453 -0.372 -2.343 590 2HZ LYS 71 2HZ LYS 71 17.295 0.032 -3.509 591 3HZ LYS 71 3HZ LYS 71 18.836 -0.475 -3.988 592 H ILE 72 H ILE 72 14.206 -3.036 1.698 593 HA ILE 72 HA ILE 72 11.698 -2.601 0.210 594 HB ILE 72 HB ILE 72 11.989 -2.636 3.215 595 1HG1 ILE 72 2HG1 ILE 72 10.499 -4.723 2.917 596 2HG1 ILE 72 1HG1 ILE 72 11.060 -4.719 1.249 597 1HG2 ILE 72 1HG2 ILE 72 9.548 -2.566 3.221 598 2HG2 ILE 72 2HG2 ILE 72 9.540 -2.485 1.460 599 3HG2 ILE 72 3HG2 ILE 72 10.223 -1.158 2.400 600 1HD1 ILE 72 1HD1 ILE 72 13.136 -5.410 1.804 601 2HD1 ILE 72 2HD1 ILE 72 12.264 -6.094 3.175 602 3HD1 ILE 72 3HD1 ILE 72 13.127 -4.566 3.352 603 H GLU 73 H GLU 73 10.925 -0.560 0.040 604 HA GLU 73 HA GLU 73 12.359 1.602 1.412 605 1HB GLU 73 2HB GLU 73 11.893 1.298 -1.545 606 2HB GLU 73 1HB GLU 73 12.118 2.881 -0.817 607 1HG GLU 73 2HG GLU 73 14.291 2.580 -1.116 608 2HG GLU 73 1HG GLU 73 14.215 1.400 0.191 609 H VAL 74 H VAL 74 11.126 3.465 1.816 610 HA VAL 74 HA VAL 74 8.259 3.237 1.179 611 HB VAL 74 HB VAL 74 7.741 4.267 3.359 612 1HG1 VAL 74 1HG1 VAL 74 8.954 1.606 3.032 613 2HG1 VAL 74 2HG1 VAL 74 7.367 2.065 3.649 614 3HG1 VAL 74 3HG1 VAL 74 8.783 2.165 4.695 615 1HG2 VAL 74 1HG2 VAL 74 10.697 4.263 3.581 616 2HG2 VAL 74 2HG2 VAL 74 9.771 3.921 5.042 617 3HG2 VAL 74 3HG2 VAL 74 9.517 5.433 4.171 618 H GLU 75 H GLU 75 7.125 5.162 0.856 619 HA GLU 75 HA GLU 75 8.761 7.597 0.624 620 1HB GLU 75 2HB GLU 75 8.486 6.672 -1.609 621 2HB GLU 75 1HB GLU 75 6.747 6.558 -1.378 622 1HG GLU 75 2HG GLU 75 6.437 8.836 -1.572 623 2HG GLU 75 1HG GLU 75 8.110 9.203 -1.156 624 H PHE 76 H PHE 76 7.968 9.088 1.951 625 HA PHE 76 HA PHE 76 5.199 8.955 2.820 626 1HB PHE 76 2HB PHE 76 7.575 10.596 3.678 627 2HB PHE 76 1HB PHE 76 5.951 10.942 4.265 628 HD1 PHE 76 1HD PHE 76 8.550 8.310 4.109 629 HD2 PHE 76 2HD PHE 76 5.028 9.723 6.035 630 HE1 PHE 76 1HE PHE 76 8.829 6.604 5.860 631 HE2 PHE 76 2HE PHE 76 5.301 8.020 7.790 632 HZ PHE 76 HZ PHE 76 7.203 6.458 7.703 633 H ASP 77 H ASP 77 3.608 10.317 2.245 634 HA ASP 77 HA ASP 77 4.084 12.096 0.021 635 1HB ASP 77 2HB ASP 77 1.843 10.669 1.105 636 2HB ASP 77 1HB ASP 77 1.420 12.371 0.954 637 H LYS 78 H LYS 78 2.244 14.106 0.426 638 HA LYS 78 HA LYS 78 3.639 15.720 2.421 639 1HB LYS 78 2HB LYS 78 2.630 16.227 -0.174 640 2HB LYS 78 1HB LYS 78 1.689 17.212 0.937 641 1HG LYS 78 2HG LYS 78 3.642 18.397 0.055 642 2HG LYS 78 1HG LYS 78 3.703 18.221 1.809 643 1HD LYS 78 2HD LYS 78 5.319 16.489 1.668 644 2HD LYS 78 1HD LYS 78 5.085 16.322 -0.073 645 1HE LYS 78 2HE LYS 78 7.084 17.515 0.122 646 2HE LYS 78 1HE LYS 78 5.876 18.752 -0.221 647 1HZ LYS 78 1HZ LYS 78 6.351 18.177 2.587 648 2HZ LYS 78 2HZ LYS 78 6.100 19.659 1.813 649 3HZ LYS 78 3HZ LYS 78 7.625 18.929 1.765 650 H GLY 79 H GLY 79 1.426 13.675 2.943 651 1HA GLY 79 2HA GLY 79 -0.596 15.449 4.122 652 2HA GLY 79 1HA GLY 79 -0.769 13.719 3.871 653 H GLN 80 H GLN 80 -0.732 12.560 5.664 654 HA GLN 80 HA GLN 80 0.582 13.675 8.038 655 1HB GLN 80 2HB GLN 80 -1.788 13.141 8.293 656 2HB GLN 80 1HB GLN 80 -1.488 11.486 7.782 657 1HG GLN 80 2HG GLN 80 -0.232 11.027 9.753 658 2HG GLN 80 1HG GLN 80 -0.250 12.726 10.225 659 1HE2 GLN 80 1HE2 GLN 80 -2.866 10.695 8.995 660 2HE2 GLN 80 2HE2 GLN 80 -3.881 10.851 10.384 661 H ARG 81 H ARG 81 1.902 12.364 9.366 662 HA ARG 81 HA ARG 81 3.246 10.208 7.888 663 1HB ARG 81 2HB ARG 81 4.351 12.402 9.014 664 2HB ARG 81 1HB ARG 81 4.464 11.283 10.365 665 1HG ARG 81 2HG ARG 81 5.625 9.679 8.862 666 2HG ARG 81 1HG ARG 81 5.621 10.924 7.610 667 1HD ARG 81 2HD ARG 81 6.677 11.708 10.258 668 2HD ARG 81 1HD ARG 81 7.648 10.566 9.331 669 HE ARG 81 HE ARG 81 6.802 12.856 7.817 670 1HH1 ARG 81 1HH1 ARG 81 9.231 11.604 9.986 671 2HH1 ARG 81 2HH1 ARG 81 10.453 12.710 9.457 672 1HH2 ARG 81 1HH2 ARG 81 8.408 14.314 7.120 673 2HH2 ARG 81 2HH2 ARG 81 9.986 14.250 7.832 674 H THR 82 H THR 82 1.496 10.952 10.796 675 HA THR 82 HA THR 82 1.423 8.108 11.456 676 HB THR 82 HB THR 82 1.964 8.420 13.751 677 HG1 THR 82 1HG THR 82 1.843 11.186 13.173 678 1HG2 THR 82 1HG2 THR 82 4.006 10.298 12.791 679 2HG2 THR 82 2HG2 THR 82 3.863 8.791 11.888 680 3HG2 THR 82 3HG2 THR 82 4.177 8.753 13.622 681 H ASP 83 H ASP 83 -0.666 7.626 11.371 682 HA ASP 83 HA ASP 83 -2.723 9.573 11.731 683 1HB ASP 83 2HB ASP 83 -2.794 7.512 10.225 684 2HB ASP 83 1HB ASP 83 -3.119 6.587 11.688 685 H LYS 84 H LYS 84 -1.660 10.023 13.974 686 HA LYS 84 HA LYS 84 -1.742 9.937 16.256 687 1HB LYS 84 2HB LYS 84 -4.551 9.445 15.345 688 2HB LYS 84 1HB LYS 84 -4.177 9.416 17.063 689 1HG LYS 84 2HG LYS 84 -4.748 11.602 16.834 690 2HG LYS 84 1HG LYS 84 -3.020 11.719 16.495 691 1HD LYS 84 2HD LYS 84 -3.439 11.709 14.120 692 2HD LYS 84 1HD LYS 84 -5.160 11.424 14.389 693 1HE LYS 84 2HE LYS 84 -5.240 13.674 14.104 694 2HE LYS 84 1HE LYS 84 -4.889 13.646 15.832 695 1HZ LYS 84 1HZ LYS 84 -2.721 14.270 15.493 696 2HZ LYS 84 2HZ LYS 84 -3.488 15.121 14.248 697 3HZ LYS 84 3HZ LYS 84 -2.667 13.683 13.906 698 H TYR 85 H TYR 85 -0.952 7.432 14.939 699 HA TYR 85 HA TYR 85 -1.581 5.622 17.165 700 1HB TYR 85 2HB TYR 85 -1.558 4.882 14.233 701 2HB TYR 85 1HB TYR 85 -1.643 3.722 15.556 702 HD1 TYR 85 1HD TYR 85 -3.533 5.080 17.382 703 HD2 TYR 85 2HD TYR 85 -3.612 4.664 13.148 704 HE1 TYR 85 1HE TYR 85 -5.983 5.293 17.412 705 HE2 TYR 85 2HE TYR 85 -6.062 4.876 13.167 706 HH TYR 85 HH TYR 85 -7.823 5.761 14.567 707 H GLY 86 H GLY 86 0.756 7.369 16.273 708 1HA GLY 86 2HA GLY 86 3.048 7.248 16.219 709 2HA GLY 86 1HA GLY 86 2.841 5.834 17.242 710 H ARG 87 H ARG 87 1.491 5.853 14.047 711 HA ARG 87 HA ARG 87 3.376 3.752 13.283 712 1HB ARG 87 2HB ARG 87 0.867 4.608 11.838 713 2HB ARG 87 1HB ARG 87 1.782 3.127 11.596 714 1HG ARG 87 2HG ARG 87 0.186 3.878 14.035 715 2HG ARG 87 1HG ARG 87 -0.220 2.649 12.837 716 1HD ARG 87 2HD ARG 87 1.746 1.362 13.462 717 2HD ARG 87 1HD ARG 87 2.215 2.610 14.616 718 HE ARG 87 HE ARG 87 -0.409 1.532 15.078 719 1HH1 ARG 87 1HH1 ARG 87 3.001 1.131 15.702 720 2HH1 ARG 87 2HH1 ARG 87 2.757 0.219 17.154 721 1HH2 ARG 87 1HH2 ARG 87 -0.733 0.332 16.986 722 2HH2 ARG 87 2HH2 ARG 87 0.636 -0.235 17.884 723 H GLY 88 H GLY 88 3.745 3.731 10.765 724 1HA GLY 88 2HA GLY 88 4.757 6.416 10.072 725 2HA GLY 88 1HA GLY 88 5.506 4.908 9.569 726 H LEU 89 H LEU 89 2.603 6.895 9.185 727 HA LEU 89 HA LEU 89 1.412 5.507 7.085 728 1HB LEU 89 2HB LEU 89 1.343 8.324 8.047 729 2HB LEU 89 1HB LEU 89 0.664 7.984 6.467 730 HG LEU 89 HG LEU 89 -0.190 6.601 9.011 731 1HD1 LEU 89 1HD1 LEU 89 -1.057 8.659 9.417 732 2HD1 LEU 89 2HD1 LEU 89 -2.320 8.045 8.350 733 3HD1 LEU 89 3HD1 LEU 89 -1.071 9.115 7.713 734 1HD2 LEU 89 1HD2 LEU 89 -0.471 5.691 6.490 735 2HD2 LEU 89 2HD2 LEU 89 -1.918 6.689 6.626 736 3HD2 LEU 89 3HD2 LEU 89 -1.634 5.384 7.780 737 H ALA 90 H ALA 90 2.212 5.004 5.162 738 HA ALA 90 HA ALA 90 3.146 6.842 3.287 739 1HB ALA 90 1HB ALA 90 5.144 7.229 4.395 740 2HB ALA 90 2HB ALA 90 5.585 5.965 3.246 741 3HB ALA 90 3HB ALA 90 5.288 5.556 4.936 742 H TYR 91 H TYR 91 4.174 5.750 1.367 743 HA TYR 91 HA TYR 91 2.771 3.274 0.866 744 1HB TYR 91 2HB TYR 91 4.543 4.952 -0.920 745 2HB TYR 91 1HB TYR 91 3.621 3.548 -1.449 746 HD1 TYR 91 1HD TYR 91 1.018 3.712 -0.713 747 HD2 TYR 91 2HD TYR 91 3.624 7.007 -1.386 748 HE1 TYR 91 1HE TYR 91 -0.926 5.152 -1.152 749 HE2 TYR 91 2HE TYR 91 1.687 8.456 -1.826 750 HH TYR 91 HH TYR 91 -1.123 7.568 -2.665 751 H ILE 92 H ILE 92 3.671 1.281 0.455 752 HA ILE 92 HA ILE 92 6.461 0.972 1.314 753 HB ILE 92 HB ILE 92 4.376 -1.187 0.990 754 1HG1 ILE 92 2HG1 ILE 92 3.735 0.491 2.707 755 2HG1 ILE 92 1HG1 ILE 92 4.070 -1.094 3.397 756 1HG2 ILE 92 1HG2 ILE 92 7.080 -1.448 1.142 757 2HG2 ILE 92 2HG2 ILE 92 5.918 -2.672 1.656 758 3HG2 ILE 92 3HG2 ILE 92 6.616 -1.567 2.840 759 1HD1 ILE 92 1HD1 ILE 92 5.274 1.440 3.975 760 2HD1 ILE 92 2HD1 ILE 92 6.499 0.280 3.464 761 3HD1 ILE 92 3HD1 ILE 92 5.437 -0.101 4.819 762 H TYR 93 H TYR 93 8.010 0.166 0.004 763 HA TYR 93 HA TYR 93 7.201 -0.863 -2.628 764 1HB TYR 93 2HB TYR 93 9.499 1.046 -2.165 765 2HB TYR 93 1HB TYR 93 8.969 0.398 -3.712 766 HD1 TYR 93 2HD TYR 93 7.978 2.618 -0.916 767 HD2 TYR 93 1HD TYR 93 7.239 1.443 -4.938 768 HE1 TYR 93 2HE TYR 93 6.468 4.539 -1.194 769 HE2 TYR 93 1HE TYR 93 5.729 3.361 -5.227 770 HH TYR 93 HH TYR 93 4.275 4.895 -3.111 771 H ALA 94 H ALA 94 8.072 -2.777 -3.067 772 HA ALA 94 HA ALA 94 10.411 -3.635 -1.501 773 1HB ALA 94 1HB ALA 94 8.840 -5.653 -2.976 774 2HB ALA 94 2HB ALA 94 8.024 -4.857 -1.630 775 3HB ALA 94 3HB ALA 94 9.540 -5.716 -1.358 776 H ASP 95 H ASP 95 12.275 -4.015 -2.497 777 HA ASP 95 HA ASP 95 13.837 -3.914 -4.174 778 1HB ASP 95 2HB ASP 95 13.151 -6.300 -4.065 779 2HB ASP 95 1HB ASP 95 11.991 -5.996 -5.355 780 H GLY 96 H GLY 96 12.086 -1.811 -4.529 781 1HA GLY 96 2HA GLY 96 11.724 -0.206 -6.147 782 2HA GLY 96 1HA GLY 96 12.441 -1.294 -7.324 783 H LYS 97 H LYS 97 9.804 -2.470 -5.423 784 HA LYS 97 HA LYS 97 8.011 -2.120 -7.733 785 1HB LYS 97 2HB LYS 97 8.675 -4.449 -7.537 786 2HB LYS 97 1HB LYS 97 8.223 -4.465 -5.837 787 1HG LYS 97 2HG LYS 97 6.257 -5.251 -6.487 788 2HG LYS 97 1HG LYS 97 5.920 -3.641 -7.122 789 1HD LYS 97 2HD LYS 97 6.696 -4.260 -9.298 790 2HD LYS 97 1HD LYS 97 7.307 -5.804 -8.697 791 1HE LYS 97 2HE LYS 97 5.248 -6.758 -8.657 792 2HE LYS 97 1HE LYS 97 4.437 -5.246 -8.254 793 1HZ LYS 97 1HZ LYS 97 5.268 -4.713 -10.720 794 2HZ LYS 97 2HZ LYS 97 3.760 -5.399 -10.380 795 3HZ LYS 97 3HZ LYS 97 5.050 -6.385 -10.854 796 H MET 98 H MET 98 5.927 -1.485 -7.348 797 HA MET 98 HA MET 98 5.416 -0.238 -4.810 798 1HB MET 98 2HB MET 98 4.619 0.273 -7.382 799 2HB MET 98 1HB MET 98 3.168 -0.438 -6.689 800 1HG MET 98 2HG MET 98 2.760 1.337 -5.385 801 2HG MET 98 1HG MET 98 4.465 1.598 -5.023 802 1HE MET 98 1HE MET 98 2.830 4.913 -6.533 803 2HE MET 98 2HE MET 98 4.101 4.514 -5.378 804 3HE MET 98 3HE MET 98 2.509 3.770 -5.228 805 H VAL 99 H VAL 99 4.539 -1.202 -3.112 806 HA VAL 99 HA VAL 99 3.443 -3.835 -3.267 807 HB VAL 99 HB VAL 99 3.328 -1.920 -0.933 808 1HG1 VAL 99 1HG1 VAL 99 2.551 -4.716 -1.341 809 2HG1 VAL 99 2HG1 VAL 99 2.031 -3.558 -0.117 810 3HG1 VAL 99 3HG1 VAL 99 3.548 -4.435 0.087 811 1HG2 VAL 99 1HG2 VAL 99 5.476 -2.336 -0.437 812 2HG2 VAL 99 2HG2 VAL 99 5.619 -2.788 -2.135 813 3HG2 VAL 99 3HG2 VAL 99 5.360 -4.031 -0.911 814 H ASN 100 H ASN 100 2.084 -0.607 -2.705 815 HA ASN 100 HA ASN 100 -0.553 -1.352 -2.190 816 1HB ASN 100 2HB ASN 100 -1.122 0.955 -3.054 817 2HB ASN 100 1HB ASN 100 0.096 0.905 -1.784 818 1HD2 ASN 100 1HD2 ASN 100 -0.527 1.506 -5.139 819 2HD2 ASN 100 2HD2 ASN 100 0.991 2.247 -5.499 820 H GLU 101 H GLU 101 0.984 -0.524 -5.287 821 HA GLU 101 HA GLU 101 -1.299 -0.875 -6.885 822 1HB GLU 101 2HB GLU 101 1.606 -1.223 -7.648 823 2HB GLU 101 1HB GLU 101 0.269 -1.014 -8.771 824 1HG GLU 101 2HG GLU 101 -0.105 1.178 -7.334 825 2HG GLU 101 1HG GLU 101 1.620 0.966 -7.033 826 H ALA 102 H ALA 102 1.357 -3.113 -6.119 827 HA ALA 102 HA ALA 102 0.527 -5.270 -7.664 828 1HB ALA 102 1HB ALA 102 2.106 -6.516 -6.556 829 2HB ALA 102 2HB ALA 102 1.767 -5.761 -4.998 830 3HB ALA 102 3HB ALA 102 2.678 -4.880 -6.226 831 H LEU 103 H LEU 103 -0.290 -4.503 -4.287 832 HA LEU 103 HA LEU 103 -1.901 -6.788 -3.867 833 1HB LEU 103 2HB LEU 103 -1.834 -4.109 -2.486 834 2HB LEU 103 1HB LEU 103 -2.816 -5.455 -1.940 835 HG LEU 103 HG LEU 103 0.089 -5.963 -2.299 836 1HD1 LEU 103 1HD1 LEU 103 0.663 -5.009 -0.166 837 2HD1 LEU 103 2HD1 LEU 103 -0.994 -4.456 0.076 838 3HD1 LEU 103 3HD1 LEU 103 -0.006 -3.748 -1.202 839 1HD2 LEU 103 1HD2 LEU 103 -0.262 -7.628 -0.790 840 2HD2 LEU 103 2HD2 LEU 103 -1.901 -7.491 -1.428 841 3HD2 LEU 103 3HD2 LEU 103 -1.482 -6.718 0.100 842 H VAL 104 H VAL 104 -2.806 -3.403 -4.539 843 HA VAL 104 HA VAL 104 -5.572 -3.875 -4.706 844 HB VAL 104 HB VAL 104 -4.058 -1.699 -6.145 845 1HG1 VAL 104 1HG1 VAL 104 -6.397 -0.616 -5.313 846 2HG1 VAL 104 2HG1 VAL 104 -6.893 -2.277 -5.637 847 3HG1 VAL 104 3HG1 VAL 104 -6.138 -1.318 -6.910 848 1HG2 VAL 104 1HG2 VAL 104 -3.677 -0.616 -4.224 849 2HG2 VAL 104 2HG2 VAL 104 -3.953 -2.171 -3.440 850 3HG2 VAL 104 3HG2 VAL 104 -5.272 -1.009 -3.583 851 H ARG 105 H ARG 105 -3.026 -3.909 -7.158 852 HA ARG 105 HA ARG 105 -4.782 -4.249 -9.371 853 1HB ARG 105 2HB ARG 105 -1.831 -4.782 -9.031 854 2HB ARG 105 1HB ARG 105 -2.677 -4.999 -10.555 855 1HG ARG 105 2HG ARG 105 -3.166 -2.687 -10.716 856 2HG ARG 105 1HG ARG 105 -2.644 -2.395 -9.056 857 1HD ARG 105 2HD ARG 105 -1.022 -1.714 -10.876 858 2HD ARG 105 1HD ARG 105 -0.377 -2.746 -9.601 859 HE ARG 105 HE ARG 105 0.046 -4.335 -11.179 860 1HH1 ARG 105 1HH1 ARG 105 -2.340 -2.131 -12.455 861 2HH1 ARG 105 2HH1 ARG 105 -2.349 -2.854 -14.028 862 1HH2 ARG 105 1HH2 ARG 105 0.035 -5.288 -13.248 863 2HH2 ARG 105 2HH2 ARG 105 -1.002 -4.647 -14.478 864 H GLN 106 H GLN 106 -3.207 -6.421 -7.135 865 HA GLN 106 HA GLN 106 -3.905 -8.780 -8.664 866 1HB GLN 106 2HB GLN 106 -2.535 -8.321 -6.026 867 2HB GLN 106 1HB GLN 106 -3.026 -9.931 -6.531 868 1HG GLN 106 2HG GLN 106 -1.625 -8.709 -8.679 869 2HG GLN 106 1HG GLN 106 -0.679 -8.508 -7.206 870 1HE2 GLN 106 1HE2 GLN 106 -1.172 -10.468 -9.769 871 2HE2 GLN 106 2HE2 GLN 106 -0.615 -11.966 -9.113 872 H GLY 107 H GLY 107 -5.213 -6.881 -6.076 873 1HA GLY 107 2HA GLY 107 -7.520 -6.996 -5.504 874 2HA GLY 107 1HA GLY 107 -7.528 -8.683 -5.991 875 H LEU 108 H LEU 108 -5.661 -6.699 -3.687 876 HA LEU 108 HA LEU 108 -6.474 -8.541 -1.553 877 1HB LEU 108 2HB LEU 108 -3.668 -7.807 -2.330 878 2HB LEU 108 1HB LEU 108 -4.055 -8.295 -0.691 879 HG LEU 108 HG LEU 108 -5.002 -10.430 -1.674 880 1HD1 LEU 108 1HD1 LEU 108 -3.542 -10.677 -3.993 881 2HD1 LEU 108 2HD1 LEU 108 -4.213 -9.049 -4.108 882 3HD1 LEU 108 3HD1 LEU 108 -5.284 -10.431 -3.883 883 1HD2 LEU 108 1HD2 LEU 108 -2.456 -9.753 -0.895 884 2HD2 LEU 108 2HD2 LEU 108 -2.196 -10.528 -2.458 885 3HD2 LEU 108 3HD2 LEU 108 -3.047 -11.390 -1.177 886 H ALA 109 H ALA 109 -4.870 -5.488 -2.368 887 HA ALA 109 HA ALA 109 -5.740 -4.386 0.214 888 1HB ALA 109 1HB ALA 109 -3.327 -4.260 -0.270 889 2HB ALA 109 2HB ALA 109 -4.065 -2.670 -0.085 890 3HB ALA 109 3HB ALA 109 -3.684 -3.282 -1.694 891 H LYS 110 H LYS 110 -7.306 -2.906 0.283 892 HA LYS 110 HA LYS 110 -8.466 -2.002 -2.224 893 1HB LYS 110 2HB LYS 110 -9.599 -1.131 0.385 894 2HB LYS 110 1HB LYS 110 -10.422 -1.641 -1.080 895 1HG LYS 110 2HG LYS 110 -10.875 -3.511 0.039 896 2HG LYS 110 1HG LYS 110 -9.195 -3.950 -0.276 897 1HD LYS 110 2HD LYS 110 -8.967 -2.359 1.933 898 2HD LYS 110 1HD LYS 110 -10.505 -3.171 2.225 899 1HE LYS 110 2HE LYS 110 -8.041 -4.683 1.413 900 2HE LYS 110 1HE LYS 110 -8.380 -4.298 3.100 901 1HZ LYS 110 1HZ LYS 110 -10.056 -5.783 3.195 902 2HZ LYS 110 2HZ LYS 110 -9.218 -6.517 1.922 903 3HZ LYS 110 3HZ LYS 110 -10.548 -5.524 1.596 904 H VAL 111 H VAL 111 -9.620 0.418 -1.206 905 HA VAL 111 HA VAL 111 -7.214 2.118 -1.148 906 HB VAL 111 HB VAL 111 -8.552 2.367 -3.201 907 1HG1 VAL 111 1HG1 VAL 111 -10.775 2.687 -3.260 908 2HG1 VAL 111 2HG1 VAL 111 -10.761 3.762 -1.861 909 3HG1 VAL 111 3HG1 VAL 111 -10.732 2.014 -1.630 910 1HG2 VAL 111 1HG2 VAL 111 -8.118 4.570 -3.308 911 2HG2 VAL 111 2HG2 VAL 111 -7.465 4.340 -1.687 912 3HG2 VAL 111 3HG2 VAL 111 -9.110 4.938 -1.898 913 H ALA 112 H ALA 112 -6.863 3.078 0.730 914 HA ALA 112 HA ALA 112 -8.960 3.305 2.707 915 1HB ALA 112 1HB ALA 112 -7.034 2.748 3.788 916 2HB ALA 112 2HB ALA 112 -6.934 4.504 3.924 917 3HB ALA 112 3HB ALA 112 -6.014 3.662 2.677 918 H TYR 113 H TYR 113 -9.201 5.388 3.931 919 HA TYR 113 HA TYR 113 -9.056 7.702 2.112 920 1HB TYR 113 2HB TYR 113 -11.384 6.455 3.013 921 2HB TYR 113 1HB TYR 113 -11.228 7.880 4.035 922 HD1 TYR 113 1HD TYR 113 -10.672 7.112 0.413 923 HD2 TYR 113 2HD TYR 113 -12.468 9.670 3.298 924 HE1 TYR 113 1HE TYR 113 -11.589 8.500 -1.398 925 HE2 TYR 113 2HE TYR 113 -13.390 11.066 1.496 926 HH TYR 113 HH TYR 113 -13.012 11.571 -0.819 927 H VAL 114 H VAL 114 -7.162 8.457 3.085 928 HA VAL 114 HA VAL 114 -6.875 8.799 5.889 929 HB VAL 114 HB VAL 114 -4.936 8.661 4.392 930 1HG1 VAL 114 1HG1 VAL 114 -6.108 10.071 2.592 931 2HG1 VAL 114 2HG1 VAL 114 -4.371 10.278 2.810 932 3HG1 VAL 114 3HG1 VAL 114 -5.490 11.463 3.481 933 1HG2 VAL 114 1HG2 VAL 114 -3.612 10.428 5.399 934 2HG2 VAL 114 2HG2 VAL 114 -4.730 9.757 6.587 935 3HG2 VAL 114 3HG2 VAL 114 -5.077 11.311 5.829 936 H TYR 115 H TYR 115 -7.718 11.032 3.257 937 HA TYR 115 HA TYR 115 -8.601 13.128 3.252 938 1HB TYR 115 2HB TYR 115 -10.287 11.506 4.666 939 2HB TYR 115 1HB TYR 115 -10.016 12.812 5.815 940 HD1 TYR 115 1HD TYR 115 -9.698 15.065 3.824 941 HD2 TYR 115 2HD TYR 115 -12.540 11.911 4.087 942 HE1 TYR 115 1HE TYR 115 -11.337 16.452 2.631 943 HE2 TYR 115 2HE TYR 115 -14.188 13.290 2.894 944 HH TYR 115 HH TYR 115 -13.351 16.190 1.300 945 H LYS 116 H LYS 116 -6.140 13.404 4.020 946 HA LYS 116 HA LYS 116 -6.268 15.415 6.138 947 1HB LYS 116 2HB LYS 116 -4.283 13.141 6.051 948 2HB LYS 116 1HB LYS 116 -4.099 14.564 7.068 949 1HG LYS 116 2HG LYS 116 -6.548 12.845 7.221 950 2HG LYS 116 1HG LYS 116 -5.078 12.448 8.114 951 1HD LYS 116 2HD LYS 116 -5.158 14.731 9.118 952 2HD LYS 116 1HD LYS 116 -6.721 14.968 8.333 953 1HE LYS 116 2HE LYS 116 -6.034 12.859 10.377 954 2HE LYS 116 1HE LYS 116 -7.033 14.287 10.640 955 1HZ LYS 116 1HZ LYS 116 -8.303 13.175 8.590 956 2HZ LYS 116 2HZ LYS 116 -8.679 12.837 10.203 957 3HZ LYS 116 3HZ LYS 116 -7.691 11.782 9.328 958 H GLY 117 H GLY 117 -4.310 13.908 3.588 959 1HA GLY 117 2HA GLY 117 -3.782 16.271 2.219 960 2HA GLY 117 1HA GLY 117 -2.460 16.044 3.352 961 H ASN 118 H ASN 118 -2.652 13.091 3.136 962 HA ASN 118 HA ASN 118 -0.754 12.705 1.104 963 1HB ASN 118 2HB ASN 118 -2.501 10.545 2.290 964 2HB ASN 118 1HB ASN 118 -0.881 10.374 1.621 965 1HD2 ASN 118 1HD2 ASN 118 0.805 11.732 2.747 966 2HD2 ASN 118 2HD2 ASN 118 0.732 11.779 4.473 967 H ASN 119 H ASN 119 -1.799 13.706 -0.729 968 HA ASN 119 HA ASN 119 -3.516 11.805 -2.162 969 1HB ASN 119 2HB ASN 119 -4.601 14.037 -1.123 970 2HB ASN 119 1HB ASN 119 -4.021 14.689 -2.653 971 1HD2 ASN 119 1HD2 ASN 119 -6.263 12.568 -1.109 972 2HD2 ASN 119 2HD2 ASN 119 -7.221 12.221 -2.503 973 H THR 120 H THR 120 -0.859 11.807 -2.553 974 HA THR 120 HA THR 120 -0.269 13.523 -4.839 975 HB THR 120 HB THR 120 1.529 11.522 -3.460 976 HG1 THR 120 1HG THR 120 2.372 13.384 -2.415 977 1HG2 THR 120 1HG2 THR 120 3.003 13.655 -4.489 978 2HG2 THR 120 2HG2 THR 120 1.898 13.169 -5.774 979 3HG2 THR 120 3HG2 THR 120 2.987 11.984 -5.052 980 H HIS 121 H HIS 121 -0.908 10.183 -4.037 981 HA HIS 121 HA HIS 121 -0.784 9.529 -6.907 982 1HB HIS 121 2HB HIS 121 -0.225 7.556 -4.696 983 2HB HIS 121 1HB HIS 121 0.049 7.349 -6.422 984 HD1 HIS 121 1HD HIS 121 1.330 9.540 -3.588 985 HD2 HIS 121 2HD HIS 121 2.594 7.881 -7.182 986 HE1 HIS 121 1HE HIS 121 3.771 10.115 -3.772 987 HE2 HIS 121 2HE HIS 121 4.535 9.019 -5.908 988 H GLU 122 H GLU 122 -2.986 10.337 -4.930 989 HA GLU 122 HA GLU 122 -4.678 8.206 -4.385 990 1HB GLU 122 2HB GLU 122 -4.811 10.829 -3.896 991 2HB GLU 122 1HB GLU 122 -5.909 10.765 -5.269 992 1HG GLU 122 2HG GLU 122 -6.415 8.695 -3.280 993 2HG GLU 122 1HG GLU 122 -6.583 10.334 -2.655 994 H GLN 123 H GLN 123 -3.984 9.773 -7.400 995 HA GLN 123 HA GLN 123 -6.302 8.839 -8.790 996 1HB GLN 123 2HB GLN 123 -3.681 9.663 -10.032 997 2HB GLN 123 1HB GLN 123 -5.281 9.712 -10.760 998 1HG GLN 123 2HG GLN 123 -5.301 11.281 -8.381 999 2HG GLN 123 1HG GLN 123 -3.922 11.754 -9.373 1000 1HE2 GLN 123 1HE2 GLN 123 -6.570 13.029 -8.704 1001 2HE2 GLN 123 2HE2 GLN 123 -7.226 13.481 -10.237 1002 H LEU 124 H LEU 124 -3.056 7.636 -8.242 1003 HA LEU 124 HA LEU 124 -3.114 5.579 -10.192 1004 1HB LEU 124 2HB LEU 124 -1.527 5.456 -7.643 1005 2HB LEU 124 1HB LEU 124 -1.127 4.778 -9.210 1006 HG LEU 124 HG LEU 124 -1.073 7.690 -8.426 1007 1HD1 LEU 124 1HD1 LEU 124 1.181 6.030 -9.496 1008 2HD1 LEU 124 2HD1 LEU 124 0.808 6.082 -7.773 1009 3HD1 LEU 124 3HD1 LEU 124 1.247 7.562 -8.625 1010 1HD2 LEU 124 1HD2 LEU 124 0.020 7.697 -10.854 1011 2HD2 LEU 124 2HD2 LEU 124 -1.704 7.964 -10.590 1012 3HD2 LEU 124 3HD2 LEU 124 -1.122 6.373 -11.079 1013 H LEU 125 H LEU 125 -3.698 5.547 -6.678 1014 HA LEU 125 HA LEU 125 -4.347 2.802 -6.534 1015 1HB LEU 125 2HB LEU 125 -5.341 4.967 -4.687 1016 2HB LEU 125 1HB LEU 125 -5.157 3.261 -4.326 1017 HG LEU 125 HG LEU 125 -2.601 4.032 -5.059 1018 1HD1 LEU 125 1HD1 LEU 125 -2.120 6.120 -4.397 1019 2HD1 LEU 125 2HD1 LEU 125 -3.232 6.054 -3.030 1020 3HD1 LEU 125 3HD1 LEU 125 -3.841 6.408 -4.646 1021 1HD2 LEU 125 1HD2 LEU 125 -2.790 2.556 -3.297 1022 2HD2 LEU 125 2HD2 LEU 125 -4.000 3.536 -2.468 1023 3HD2 LEU 125 3HD2 LEU 125 -2.310 4.039 -2.470 1024 H ARG 126 H ARG 126 -6.303 5.702 -7.013 1025 HA ARG 126 HA ARG 126 -8.837 4.544 -6.777 1026 1HB ARG 126 2HB ARG 126 -8.471 6.967 -6.851 1027 2HB ARG 126 1HB ARG 126 -7.968 6.849 -8.532 1028 1HG ARG 126 2HG ARG 126 -10.099 7.391 -8.953 1029 2HG ARG 126 1HG ARG 126 -10.401 5.678 -8.658 1030 1HD ARG 126 2HD ARG 126 -11.402 6.060 -6.663 1031 2HD ARG 126 1HD ARG 126 -10.357 7.427 -6.279 1032 HE ARG 126 HE ARG 126 -12.941 7.561 -7.394 1033 1HH1 ARG 126 1HH1 ARG 126 -9.789 9.029 -7.686 1034 2HH1 ARG 126 2HH1 ARG 126 -10.408 10.541 -8.259 1035 1HH2 ARG 126 1HH2 ARG 126 -13.758 9.548 -8.149 1036 2HH2 ARG 126 2HH2 ARG 126 -12.662 10.836 -8.521 1037 H LYS 127 H LYS 127 -6.635 4.750 -9.522 1038 HA LYS 127 HA LYS 127 -8.490 3.658 -11.405 1039 1HB LYS 127 2HB LYS 127 -5.868 4.790 -11.466 1040 2HB LYS 127 1HB LYS 127 -5.817 3.233 -12.279 1041 1HG LYS 127 2HG LYS 127 -6.330 4.656 -14.007 1042 2HG LYS 127 1HG LYS 127 -7.931 4.100 -13.512 1043 1HD LYS 127 2HD LYS 127 -7.649 6.248 -11.904 1044 2HD LYS 127 1HD LYS 127 -6.695 6.770 -13.294 1045 1HE LYS 127 2HE LYS 127 -8.873 5.778 -14.542 1046 2HE LYS 127 1HE LYS 127 -9.600 6.339 -13.036 1047 1HZ LYS 127 1HZ LYS 127 -9.113 8.505 -13.500 1048 2HZ LYS 127 2HZ LYS 127 -9.336 7.930 -15.075 1049 3HZ LYS 127 3HZ LYS 127 -7.772 8.134 -14.463 1050 H SER 128 H SER 128 -5.970 2.368 -9.329 1051 HA SER 128 HA SER 128 -5.858 -0.222 -10.448 1052 1HB SER 128 2HB SER 128 -4.208 0.882 -8.818 1053 2HB SER 128 1HB SER 128 -5.327 0.396 -7.545 1054 HG SER 128 HG SER 128 -5.110 -1.782 -8.557 1055 H GLU 129 H GLU 129 -7.934 1.265 -8.048 1056 HA GLU 129 HA GLU 129 -9.123 -1.171 -7.150 1057 1HB GLU 129 2HB GLU 129 -9.074 0.947 -5.824 1058 2HB GLU 129 1HB GLU 129 -10.229 1.635 -6.957 1059 1HG GLU 129 2HG GLU 129 -11.513 -0.636 -6.268 1060 2HG GLU 129 1HG GLU 129 -10.631 -0.293 -4.780 1061 H ALA 130 H ALA 130 -10.140 1.400 -9.376 1062 HA ALA 130 HA ALA 130 -12.646 0.465 -10.064 1063 1HB ALA 130 1HB ALA 130 -10.613 2.149 -11.412 1064 2HB ALA 130 2HB ALA 130 -12.282 2.515 -10.971 1065 3HB ALA 130 3HB ALA 130 -11.942 1.531 -12.394 1066 H GLN 131 H GLN 131 -9.528 -0.348 -11.578 1067 HA GLN 131 HA GLN 131 -10.581 -2.085 -13.527 1068 1HB GLN 131 2HB GLN 131 -8.263 -2.941 -13.716 1069 2HB GLN 131 1HB GLN 131 -8.348 -1.184 -13.752 1070 1HG GLN 131 2HG GLN 131 -7.712 -1.134 -11.373 1071 2HG GLN 131 1HG GLN 131 -7.553 -2.890 -11.403 1072 1HE2 GLN 131 1HE2 GLN 131 -5.558 -3.573 -11.621 1073 2HE2 GLN 131 2HE2 GLN 131 -4.282 -2.762 -12.456 1074 H ALA 132 H ALA 132 -9.213 -2.729 -10.308 1075 HA ALA 132 HA ALA 132 -9.536 -5.539 -10.426 1076 1HB ALA 132 1HB ALA 132 -9.365 -3.752 -8.000 1077 2HB ALA 132 2HB ALA 132 -7.997 -4.453 -8.862 1078 3HB ALA 132 3HB ALA 132 -9.137 -5.500 -8.019 1079 H LYS 133 H LYS 133 -11.618 -2.913 -9.406 1080 HA LYS 133 HA LYS 133 -13.632 -4.648 -8.291 1081 1HB LYS 133 2HB LYS 133 -13.028 -2.078 -7.832 1082 2HB LYS 133 1HB LYS 133 -14.279 -1.847 -9.043 1083 1HG LYS 133 2HG LYS 133 -14.607 -3.413 -6.494 1084 2HG LYS 133 1HG LYS 133 -15.141 -1.751 -6.750 1085 1HD LYS 133 2HD LYS 133 -17.088 -2.680 -7.371 1086 2HD LYS 133 1HD LYS 133 -16.257 -3.040 -8.886 1087 1HE LYS 133 2HE LYS 133 -15.626 -5.237 -8.020 1088 2HE LYS 133 1HE LYS 133 -16.442 -4.875 -6.499 1089 1HZ LYS 133 1HZ LYS 133 -17.975 -6.122 -7.697 1090 2HZ LYS 133 2HZ LYS 133 -17.637 -5.342 -9.159 1091 3HZ LYS 133 3HZ LYS 133 -18.494 -4.530 -7.948 1092 H LYS 134 H LYS 134 -12.978 -3.069 -11.323 1093 HA LYS 134 HA LYS 134 -15.579 -3.549 -12.444 1094 1HB LYS 134 2HB LYS 134 -14.425 -1.647 -13.261 1095 2HB LYS 134 1HB LYS 134 -12.953 -2.563 -13.542 1096 1HG LYS 134 2HG LYS 134 -14.926 -3.762 -15.140 1097 2HG LYS 134 1HG LYS 134 -15.127 -2.020 -15.322 1098 1HD LYS 134 2HD LYS 134 -12.419 -2.264 -15.449 1099 2HD LYS 134 1HD LYS 134 -12.943 -3.772 -16.206 1100 1HE LYS 134 2HE LYS 134 -13.721 -2.724 -18.033 1101 2HE LYS 134 1HE LYS 134 -14.423 -1.406 -17.096 1102 1HZ LYS 134 1HZ LYS 134 -12.699 -0.525 -18.455 1103 2HZ LYS 134 2HZ LYS 134 -11.590 -1.691 -17.933 1104 3HZ LYS 134 3HZ LYS 134 -12.140 -0.506 -16.859 1105 H GLU 135 H GLU 135 -12.529 -5.220 -12.291 1106 HA GLU 135 HA GLU 135 -13.456 -7.208 -14.236 1107 1HB GLU 135 2HB GLU 135 -10.734 -6.872 -12.966 1108 2HB GLU 135 1HB GLU 135 -11.148 -8.041 -14.212 1109 1HG GLU 135 2HG GLU 135 -11.777 -5.267 -14.899 1110 2HG GLU 135 1HG GLU 135 -10.060 -5.595 -14.661 1111 H LYS 136 H LYS 136 -13.100 -6.714 -10.862 1112 HA LYS 136 HA LYS 136 -13.453 -8.044 -9.051 1113 1HB LYS 136 2HB LYS 136 -14.649 -10.086 -10.915 1114 2HB LYS 136 1HB LYS 136 -15.051 -9.782 -9.231 1115 1HG LYS 136 2HG LYS 136 -15.487 -7.408 -10.774 1116 2HG LYS 136 1HG LYS 136 -16.322 -8.774 -11.516 1117 1HD LYS 136 2HD LYS 136 -16.549 -7.932 -8.628 1118 2HD LYS 136 1HD LYS 136 -17.741 -7.611 -9.888 1119 1HE LYS 136 2HE LYS 136 -16.912 -10.427 -9.530 1120 2HE LYS 136 1HE LYS 136 -17.875 -9.718 -8.234 1121 1HZ LYS 136 1HZ LYS 136 -19.575 -9.149 -9.824 1122 2HZ LYS 136 2HZ LYS 136 -19.239 -10.802 -9.932 1123 3HZ LYS 136 3HZ LYS 136 -18.640 -9.742 -11.104 1124 H LEU 137 H LEU 137 -11.017 -8.213 -9.302 1125 HA LEU 137 HA LEU 137 -9.918 -10.660 -10.279 1126 1HB LEU 137 2HB LEU 137 -8.871 -8.309 -8.767 1127 2HB LEU 137 1HB LEU 137 -7.912 -9.776 -8.824 1128 HG LEU 137 HG LEU 137 -8.922 -8.669 -11.397 1129 1HD1 LEU 137 1HD1 LEU 137 -8.010 -6.672 -11.003 1130 2HD1 LEU 137 2HD1 LEU 137 -6.459 -7.496 -11.151 1131 3HD1 LEU 137 3HD1 LEU 137 -7.171 -7.236 -9.559 1132 1HD2 LEU 137 1HD2 LEU 137 -7.469 -10.824 -10.854 1133 2HD2 LEU 137 2HD2 LEU 137 -6.160 -9.645 -10.933 1134 3HD2 LEU 137 3HD2 LEU 137 -7.226 -9.874 -12.319 1135 H ASN 138 H ASN 138 -10.047 -9.345 -6.952 1136 HA ASN 138 HA ASN 138 -10.649 -12.019 -5.961 1137 1HB ASN 138 2HB ASN 138 -8.149 -10.482 -5.316 1138 2HB ASN 138 1HB ASN 138 -8.821 -11.630 -4.164 1139 1HD2 ASN 138 1HD2 ASN 138 -9.633 -13.692 -5.608 1140 2HD2 ASN 138 2HD2 ASN 138 -8.331 -14.397 -6.500 1141 H ILE 139 H ILE 139 -9.405 -9.205 -4.204 1142 HA ILE 139 HA ILE 139 -11.182 -9.253 -2.123 1143 HB ILE 139 HB ILE 139 -10.761 -6.769 -1.898 1144 1HG1 ILE 139 2HG1 ILE 139 -9.093 -7.300 -4.367 1145 2HG1 ILE 139 1HG1 ILE 139 -10.473 -6.216 -4.252 1146 1HG2 ILE 139 1HG2 ILE 139 -9.316 -7.986 -0.622 1147 2HG2 ILE 139 2HG2 ILE 139 -8.167 -7.232 -1.726 1148 3HG2 ILE 139 3HG2 ILE 139 -8.689 -8.894 -1.996 1149 1HD1 ILE 139 1HD1 ILE 139 -8.943 -4.626 -3.952 1150 2HD1 ILE 139 2HD1 ILE 139 -7.682 -5.786 -3.534 1151 3HD1 ILE 139 3HD1 ILE 139 -8.827 -5.247 -2.306 1152 H TRP 140 H TRP 140 -11.591 -7.627 -5.239 1153 HA TRP 140 HA TRP 140 -14.240 -6.694 -4.457 1154 1HB TRP 140 2HB TRP 140 -12.732 -6.306 -7.049 1155 2HB TRP 140 1HB TRP 140 -14.245 -5.521 -6.609 1156 HD1 TRP 140 HD TRP 140 -10.909 -4.525 -6.974 1157 HE1 TRP 140 1HE TRP 140 -10.201 -2.674 -5.334 1158 HE3 TRP 140 3HE TRP 140 -14.683 -4.982 -3.555 1159 HZ2 TRP 140 2HZ TRP 140 -11.121 -1.554 -2.914 1160 HZ3 TRP 140 3HZ TRP 140 -14.694 -3.483 -1.605 1161 HH2 TRP 140 HH TRP 140 -12.948 -1.804 -1.292 1162 H SER 141 H SER 141 -13.357 -9.603 -5.126 1163 HA SER 141 HA SER 141 -15.250 -10.153 -7.290 1164 1HB SER 141 2HB SER 141 -13.335 -12.052 -5.913 1165 2HB SER 141 1HB SER 141 -14.266 -12.375 -7.375 1166 HG SER 141 HG SER 141 -12.414 -11.724 -8.219 1167 H GLU 142 H GLU 142 -16.270 -9.305 -4.774 1168 HA GLU 142 HA GLU 142 -17.830 -11.689 -4.075 1169 1HB GLU 142 2HB GLU 142 -17.807 -10.864 -1.676 1170 2HB GLU 142 1HB GLU 142 -16.312 -11.576 -2.265 1171 1HG GLU 142 2HG GLU 142 -15.288 -9.764 -1.506 1172 2HG GLU 142 1HG GLU 142 -16.029 -8.894 -2.848 1173 H ASP 143 H ASP 143 -18.314 -9.304 -5.751 1174 HA ASP 143 HA ASP 143 -20.358 -7.867 -4.238 1175 1HB ASP 143 2HB ASP 143 -18.652 -6.729 -5.786 1176 2HB ASP 143 1HB ASP 143 -19.612 -7.373 -7.115 1177 H ASN 144 H ASN 144 -22.525 -7.734 -4.925 1178 HA ASN 144 HA ASN 144 -23.424 -10.114 -6.366 1179 1HB ASN 144 2HB ASN 144 -24.322 -9.412 -4.060 1180 2HB ASN 144 1HB ASN 144 -25.201 -8.156 -4.925 1181 1HD2 ASN 144 1HD2 ASN 144 -27.245 -8.780 -4.906 1182 2HD2 ASN 144 2HD2 ASN 144 -27.831 -10.325 -5.412 1183 H ALA 145 H ALA 145 -23.861 -9.943 -8.454 1184 HA ALA 145 HA ALA 145 -24.359 -7.342 -9.646 1185 1HB ALA 145 1HB ALA 145 -23.589 -10.020 -10.638 1186 2HB ALA 145 2HB ALA 145 -22.981 -8.425 -11.082 1187 3HB ALA 145 3HB ALA 145 -24.515 -9.000 -11.738 1188 H ASP 146 H ASP 146 -25.928 -10.528 -10.010 1189 HA ASP 146 HA ASP 146 -28.499 -9.116 -10.289 1190 1HB ASP 146 2HB ASP 146 -27.337 -11.481 -11.665 1191 2HB ASP 146 1HB ASP 146 -29.066 -11.518 -11.336 1192 H SER 147 H SER 147 -30.389 -10.151 -9.408 1193 HA SER 147 HA SER 147 -29.892 -12.187 -7.365 1194 1HB SER 147 2HB SER 147 -31.157 -10.917 -5.682 1195 2HB SER 147 1HB SER 147 -29.730 -10.023 -6.205 1196 HG SER 147 HG SER 147 -31.117 -8.830 -7.605 1197 H GLY 148 H GLY 148 -31.825 -13.271 -6.633 1198 1HA GLY 148 2HA GLY 148 -34.373 -12.751 -7.788 1199 2HA GLY 148 1HA GLY 148 -33.552 -14.039 -8.657 1200 H GLN 149 H GLN 149 -35.170 -15.518 -8.013 1201 HA GLN 149 HA GLN 149 -35.605 -16.036 -5.210 1202 1HB GLN 149 2HB GLN 149 -37.326 -16.316 -7.073 1203 2HB GLN 149 1HB GLN 149 -36.462 -17.783 -7.513 1204 1HG GLN 149 2HG GLN 149 -36.805 -18.488 -5.077 1205 2HG GLN 149 1HG GLN 149 -37.996 -17.191 -5.011 1206 1HE2 GLN 149 1HE2 GLN 149 -38.600 -19.891 -4.612 1207 2HE2 GLN 149 2HE2 GLN 149 -39.632 -20.417 -5.894 Start of MODEL 17 1 1H ALA 1 1HT ALA 1 13.133 25.420 0.896 2 2H ALA 1 2HT ALA 1 12.094 26.079 -0.302 3 3H ALA 1 3HT ALA 1 12.918 27.117 0.789 4 HA ALA 1 HA ALA 1 14.138 27.311 -1.086 5 1HB ALA 1 1HB ALA 1 15.823 26.980 0.394 6 2HB ALA 1 2HB ALA 1 16.110 25.573 -0.629 7 3HB ALA 1 3HB ALA 1 15.227 25.395 0.887 8 H THR 2 H THR 2 13.332 23.898 -0.572 9 HA THR 2 HA THR 2 12.976 22.178 -2.016 10 HB THR 2 HB THR 2 12.692 24.142 -4.268 11 HG1 THR 2 1HG THR 2 10.924 23.772 -2.092 12 1HG2 THR 2 1HG2 THR 2 11.461 22.590 -5.282 13 2HG2 THR 2 2HG2 THR 2 10.608 22.161 -3.798 14 3HG2 THR 2 3HG2 THR 2 12.194 21.468 -4.136 15 H SER 3 H SER 3 15.661 23.064 -1.579 16 HA SER 3 HA SER 3 17.093 23.091 -4.049 17 1HB SER 3 2HB SER 3 19.097 22.932 -2.665 18 2HB SER 3 1HB SER 3 17.981 24.107 -1.970 19 HG SER 3 HG SER 3 17.286 22.419 -0.540 20 H THR 4 H THR 4 16.497 20.628 -1.562 21 HA THR 4 HA THR 4 17.718 18.597 -3.277 22 HB THR 4 HB THR 4 18.436 18.508 -0.991 23 HG1 THR 4 1HG THR 4 16.508 16.464 -1.358 24 1HG2 THR 4 1HG2 THR 4 16.751 19.628 0.223 25 2HG2 THR 4 2HG2 THR 4 16.795 17.973 0.828 26 3HG2 THR 4 3HG2 THR 4 15.520 18.472 -0.283 27 H LYS 5 H LYS 5 16.615 16.709 -3.904 28 HA LYS 5 HA LYS 5 13.686 17.008 -3.953 29 1HB LYS 5 2HB LYS 5 15.593 15.730 -5.909 30 2HB LYS 5 1HB LYS 5 13.856 15.465 -5.972 31 1HG LYS 5 2HG LYS 5 13.483 17.839 -6.307 32 2HG LYS 5 1HG LYS 5 15.216 18.143 -6.182 33 1HD LYS 5 2HD LYS 5 14.192 16.199 -8.208 34 2HD LYS 5 1HD LYS 5 14.094 17.932 -8.528 35 1HE LYS 5 2HE LYS 5 16.648 17.731 -7.672 36 2HE LYS 5 1HE LYS 5 16.437 16.148 -8.420 37 1HZ LYS 5 1HZ LYS 5 15.391 17.717 -10.291 38 2HZ LYS 5 2HZ LYS 5 17.024 17.280 -10.257 39 3HZ LYS 5 3HZ LYS 5 16.538 18.780 -9.644 40 H LYS 6 H LYS 6 12.474 15.515 -2.984 41 HA LYS 6 HA LYS 6 13.652 12.882 -2.417 42 1HB LYS 6 2HB LYS 6 12.009 14.505 -0.464 43 2HB LYS 6 1HB LYS 6 12.665 12.899 -0.183 44 1HG LYS 6 2HG LYS 6 14.543 13.778 0.579 45 2HG LYS 6 1HG LYS 6 14.801 14.606 -0.958 46 1HD LYS 6 2HD LYS 6 14.655 16.466 0.307 47 2HD LYS 6 1HD LYS 6 12.918 16.197 0.156 48 1HE LYS 6 2HE LYS 6 14.308 14.774 2.347 49 2HE LYS 6 1HE LYS 6 14.149 16.523 2.510 50 1HZ LYS 6 1HZ LYS 6 12.294 15.273 3.508 51 2HZ LYS 6 2HZ LYS 6 11.885 14.678 1.978 52 3HZ LYS 6 3HZ LYS 6 11.784 16.336 2.293 53 H LEU 7 H LEU 7 12.355 12.450 -4.399 54 HA LEU 7 HA LEU 7 9.496 12.112 -3.785 55 1HB LEU 7 2HB LEU 7 9.168 11.959 -6.227 56 2HB LEU 7 1HB LEU 7 9.838 13.498 -5.719 57 HG LEU 7 HG LEU 7 11.742 11.386 -6.595 58 1HD1 LEU 7 1HD1 LEU 7 9.629 11.751 -8.198 59 2HD1 LEU 7 2HD1 LEU 7 11.258 11.450 -8.801 60 3HD1 LEU 7 3HD1 LEU 7 10.636 13.099 -8.730 61 1HD2 LEU 7 1HD2 LEU 7 11.886 14.186 -7.512 62 2HD2 LEU 7 2HD2 LEU 7 13.153 13.120 -6.902 63 3HD2 LEU 7 3HD2 LEU 7 12.060 13.924 -5.776 64 H HIS 8 H HIS 8 12.437 10.473 -4.610 65 HA HIS 8 HA HIS 8 11.243 8.014 -5.427 66 1HB HIS 8 2HB HIS 8 13.556 7.098 -5.105 67 2HB HIS 8 1HB HIS 8 13.475 8.500 -6.167 68 HD1 HIS 8 1HD HIS 8 15.602 9.717 -5.800 69 HD2 HIS 8 2HD HIS 8 13.890 8.469 -2.226 70 HE1 HIS 8 1HE HIS 8 17.053 10.682 -3.987 71 HE2 HIS 8 2HE HIS 8 15.946 9.987 -1.833 72 H LYS 9 H LYS 9 11.749 5.942 -4.225 73 HA LYS 9 HA LYS 9 10.639 6.149 -1.576 74 1HB LYS 9 2HB LYS 9 11.709 3.566 -2.612 75 2HB LYS 9 1HB LYS 9 10.238 3.886 -1.705 76 1HG LYS 9 2HG LYS 9 9.232 3.502 -3.670 77 2HG LYS 9 1HG LYS 9 9.686 5.169 -4.022 78 1HD LYS 9 2HD LYS 9 11.950 3.861 -4.734 79 2HD LYS 9 1HD LYS 9 10.729 2.647 -5.121 80 1HE LYS 9 2HE LYS 9 9.500 4.441 -6.384 81 2HE LYS 9 1HE LYS 9 10.911 5.471 -6.151 82 1HZ LYS 9 1HZ LYS 9 11.107 2.800 -7.411 83 2HZ LYS 9 2HZ LYS 9 12.230 4.064 -7.456 84 3HZ LYS 9 3HZ LYS 9 10.776 4.194 -8.310 85 H GLU 10 H GLU 10 11.612 5.105 0.315 86 HA GLU 10 HA GLU 10 14.325 4.353 0.410 87 1HB GLU 10 2HB GLU 10 14.194 7.013 0.049 88 2HB GLU 10 1HB GLU 10 14.074 6.958 1.803 89 1HG GLU 10 2HG GLU 10 16.147 5.435 1.674 90 2HG GLU 10 1HG GLU 10 16.319 6.071 0.039 91 H ALA 11 H ALA 11 14.467 3.061 2.117 92 HA ALA 11 HA ALA 11 13.164 3.813 4.616 93 1HB ALA 11 1HB ALA 11 12.181 1.576 4.907 94 2HB ALA 11 2HB ALA 11 12.675 1.160 3.268 95 3HB ALA 11 3HB ALA 11 11.493 2.436 3.532 96 H ALA 12 H ALA 12 14.353 0.576 3.873 97 HA ALA 12 HA ALA 12 17.007 0.688 4.403 98 1HB ALA 12 1HB ALA 12 17.280 1.483 6.462 99 2HB ALA 12 2HB ALA 12 16.552 -0.008 7.060 100 3HB ALA 12 3HB ALA 12 15.549 1.416 6.789 101 H THR 13 H THR 13 14.799 -1.083 6.556 102 HA THR 13 HA THR 13 15.066 -3.481 4.928 103 HB THR 13 HB THR 13 16.219 -3.213 7.700 104 HG1 THR 13 1HG THR 13 17.848 -2.949 6.373 105 1HG2 THR 13 1HG2 THR 13 15.062 -5.250 7.885 106 2HG2 THR 13 2HG2 THR 13 16.730 -5.673 7.492 107 3HG2 THR 13 3HG2 THR 13 15.487 -5.730 6.241 108 H LEU 14 H LEU 14 13.505 -5.023 5.303 109 HA LEU 14 HA LEU 14 11.227 -4.121 6.903 110 1HB LEU 14 2HB LEU 14 10.535 -4.627 4.736 111 2HB LEU 14 1HB LEU 14 11.594 -6.014 4.610 112 HG LEU 14 HG LEU 14 9.093 -6.460 4.730 113 1HD1 LEU 14 1HD1 LEU 14 11.160 -7.997 5.365 114 2HD1 LEU 14 2HD1 LEU 14 9.491 -8.535 5.551 115 3HD1 LEU 14 3HD1 LEU 14 10.385 -7.936 6.948 116 1HD2 LEU 14 1HD2 LEU 14 7.941 -6.300 6.736 117 2HD2 LEU 14 2HD2 LEU 14 8.855 -4.793 6.675 118 3HD2 LEU 14 3HD2 LEU 14 9.414 -6.124 7.685 119 H ILE 15 H ILE 15 10.932 -4.934 8.877 120 HA ILE 15 HA ILE 15 12.451 -7.205 9.783 121 HB ILE 15 HB ILE 15 10.330 -5.592 11.208 122 1HG1 ILE 15 2HG1 ILE 15 12.853 -5.169 12.357 123 2HG1 ILE 15 1HG1 ILE 15 13.127 -5.112 10.618 124 1HG2 ILE 15 1HG2 ILE 15 10.328 -7.403 12.557 125 2HG2 ILE 15 2HG2 ILE 15 11.805 -6.669 13.181 126 3HG2 ILE 15 3HG2 ILE 15 11.900 -7.964 11.988 127 1HD1 ILE 15 1HD1 ILE 15 12.671 -2.906 11.551 128 2HD1 ILE 15 2HD1 ILE 15 11.102 -3.473 12.122 129 3HD1 ILE 15 3HD1 ILE 15 11.435 -3.392 10.392 130 H LYS 16 H LYS 16 8.953 -6.491 9.580 131 HA LYS 16 HA LYS 16 8.290 -9.027 8.543 132 1HB LYS 16 2HB LYS 16 8.951 -9.467 11.032 133 2HB LYS 16 1HB LYS 16 7.369 -8.787 11.384 134 1HG LYS 16 2HG LYS 16 6.887 -11.023 11.281 135 2HG LYS 16 1HG LYS 16 6.544 -10.525 9.623 136 1HD LYS 16 2HD LYS 16 9.296 -11.441 10.303 137 2HD LYS 16 1HD LYS 16 8.020 -12.648 10.136 138 1HE LYS 16 2HE LYS 16 7.507 -11.376 7.914 139 2HE LYS 16 1HE LYS 16 9.162 -10.794 8.090 140 1HZ LYS 16 1HZ LYS 16 9.616 -12.676 6.971 141 2HZ LYS 16 2HZ LYS 16 8.190 -13.454 7.444 142 3HZ LYS 16 3HZ LYS 16 9.511 -13.396 8.498 143 H ALA 17 H ALA 17 6.221 -9.068 7.796 144 HA ALA 17 HA ALA 17 4.723 -6.597 7.993 145 1HB ALA 17 1HB ALA 17 3.769 -7.179 6.038 146 2HB ALA 17 2HB ALA 17 3.535 -8.857 6.529 147 3HB ALA 17 3HB ALA 17 5.111 -8.320 5.948 148 H ILE 18 H ILE 18 2.558 -6.433 8.699 149 HA ILE 18 HA ILE 18 1.814 -8.491 10.661 150 HB ILE 18 HB ILE 18 0.635 -5.728 10.543 151 1HG1 ILE 18 2HG1 ILE 18 3.053 -5.440 10.708 152 2HG1 ILE 18 1HG1 ILE 18 2.294 -5.060 12.251 153 1HG2 ILE 18 1HG2 ILE 18 -0.250 -7.784 11.917 154 2HG2 ILE 18 2HG2 ILE 18 -0.225 -6.166 12.618 155 3HG2 ILE 18 3HG2 ILE 18 1.044 -7.322 13.022 156 1HD1 ILE 18 1HD1 ILE 18 4.291 -6.310 12.648 157 2HD1 ILE 18 2HD1 ILE 18 3.776 -7.575 11.533 158 3HD1 ILE 18 3HD1 ILE 18 2.905 -7.324 13.046 159 H ASP 19 H ASP 19 0.077 -6.131 8.605 160 HA ASP 19 HA ASP 19 -1.658 -8.287 7.673 161 1HB ASP 19 2HB ASP 19 -2.636 -5.818 9.111 162 2HB ASP 19 1HB ASP 19 -3.679 -6.838 8.125 163 H GLY 20 H GLY 20 0.230 -7.155 6.115 164 1HA GLY 20 2HA GLY 20 0.440 -6.285 3.997 165 2HA GLY 20 1HA GLY 20 -1.305 -6.113 3.958 166 H ASP 21 H ASP 21 -2.063 -4.256 5.543 167 HA ASP 21 HA ASP 21 -0.741 -1.877 4.595 168 1HB ASP 21 2HB ASP 21 -2.621 -0.710 5.812 169 2HB ASP 21 1HB ASP 21 -3.124 -1.810 4.533 170 H THR 22 H THR 22 -0.352 -3.900 7.192 171 HA THR 22 HA THR 22 0.944 -1.777 8.747 172 HB THR 22 HB THR 22 -0.478 -4.189 9.898 173 HG1 THR 22 1HG THR 22 -2.051 -2.810 9.265 174 1HG2 THR 22 1HG2 THR 22 0.294 -3.668 11.912 175 2HG2 THR 22 2HG2 THR 22 0.031 -1.943 11.662 176 3HG2 THR 22 3HG2 THR 22 1.507 -2.705 11.070 177 H VAL 23 H VAL 23 3.054 -2.126 8.344 178 HA VAL 23 HA VAL 23 4.105 -4.812 8.879 179 HB VAL 23 HB VAL 23 4.029 -4.816 6.519 180 1HG1 VAL 23 1HG1 VAL 23 3.553 -2.536 6.047 181 2HG1 VAL 23 2HG1 VAL 23 5.021 -2.962 5.163 182 3HG1 VAL 23 3HG1 VAL 23 5.129 -2.019 6.650 183 1HG2 VAL 23 1HG2 VAL 23 6.817 -3.862 6.689 184 2HG2 VAL 23 2HG2 VAL 23 6.171 -5.385 6.077 185 3HG2 VAL 23 3HG2 VAL 23 6.360 -5.141 7.813 186 H LYS 24 H LYS 24 6.035 -4.870 9.925 187 HA LYS 24 HA LYS 24 7.004 -2.368 11.015 188 1HB LYS 24 2HB LYS 24 6.689 -4.633 12.257 189 2HB LYS 24 1HB LYS 24 8.242 -5.050 11.547 190 1HG LYS 24 2HG LYS 24 9.357 -3.822 13.025 191 2HG LYS 24 1HG LYS 24 8.285 -2.439 12.805 192 1HD LYS 24 2HD LYS 24 6.638 -4.006 14.195 193 2HD LYS 24 1HD LYS 24 8.173 -4.639 14.792 194 1HE LYS 24 2HE LYS 24 8.637 -2.768 15.954 195 2HE LYS 24 1HE LYS 24 7.996 -1.710 14.697 196 1HZ LYS 24 1HZ LYS 24 6.800 -1.916 16.982 197 2HZ LYS 24 2HZ LYS 24 6.126 -3.310 16.299 198 3HZ LYS 24 3HZ LYS 24 5.893 -1.808 15.557 199 H LEU 25 H LEU 25 8.330 -1.208 9.779 200 HA LEU 25 HA LEU 25 10.438 -2.612 8.279 201 1HB LEU 25 2HB LEU 25 8.555 -0.716 7.431 202 2HB LEU 25 1HB LEU 25 10.073 0.154 7.522 203 HG LEU 25 HG LEU 25 9.861 -2.457 6.052 204 1HD1 LEU 25 1HD1 LEU 25 8.759 -1.548 4.353 205 2HD1 LEU 25 2HD1 LEU 25 9.837 -0.153 4.327 206 3HD1 LEU 25 3HD1 LEU 25 8.425 -0.157 5.385 207 1HD2 LEU 25 1HD2 LEU 25 11.953 -2.041 5.362 208 2HD2 LEU 25 2HD2 LEU 25 12.017 -0.950 6.746 209 3HD2 LEU 25 3HD2 LEU 25 11.646 -0.319 5.142 210 H MET 26 H MET 26 12.471 -2.314 8.901 211 HA MET 26 HA MET 26 13.083 -0.602 11.110 212 1HB MET 26 2HB MET 26 14.165 -2.904 10.198 213 2HB MET 26 1HB MET 26 15.299 -1.747 9.516 214 1HG MET 26 2HG MET 26 16.094 -1.109 11.551 215 2HG MET 26 1HG MET 26 14.579 -1.464 12.378 216 1HE MET 26 1HE MET 26 17.031 -3.820 14.259 217 2HE MET 26 2HE MET 26 15.586 -2.828 14.462 218 3HE MET 26 3HE MET 26 17.070 -2.109 13.836 219 H TYR 27 H TYR 27 12.815 1.525 10.556 220 HA TYR 27 HA TYR 27 14.270 2.545 8.226 221 1HB TYR 27 2HB TYR 27 11.931 3.216 8.405 222 2HB TYR 27 1HB TYR 27 12.217 3.864 10.017 223 HD1 TYR 27 1HD TYR 27 13.454 5.956 10.314 224 HD2 TYR 27 2HD TYR 27 12.611 4.430 6.433 225 HE1 TYR 27 1HE TYR 27 13.999 8.147 9.341 226 HE2 TYR 27 2HE TYR 27 13.154 6.617 5.448 227 HH TYR 27 HH TYR 27 13.361 9.415 7.187 228 H LYS 28 H LYS 28 15.765 4.221 8.387 229 HA LYS 28 HA LYS 28 17.662 5.125 9.266 230 1HB LYS 28 2HB LYS 28 17.260 6.861 10.772 231 2HB LYS 28 1HB LYS 28 15.719 6.643 9.961 232 1HG LYS 28 2HG LYS 28 14.708 6.339 11.905 233 2HG LYS 28 1HG LYS 28 15.776 4.990 12.287 234 1HD LYS 28 2HD LYS 28 17.482 6.744 12.982 235 2HD LYS 28 1HD LYS 28 16.151 7.902 12.917 236 1HE LYS 28 2HE LYS 28 15.535 5.459 14.405 237 2HE LYS 28 1HE LYS 28 16.850 6.407 15.100 238 1HZ LYS 28 1HZ LYS 28 14.022 7.067 14.837 239 2HZ LYS 28 2HZ LYS 28 15.121 8.337 14.647 240 3HZ LYS 28 3HZ LYS 28 15.109 7.438 16.079 241 H GLY 29 H GLY 29 17.132 2.349 10.099 242 1HA GLY 29 2HA GLY 29 18.456 0.878 11.316 243 2HA GLY 29 1HA GLY 29 19.136 2.246 12.179 244 H GLN 30 H GLN 30 15.690 2.053 12.084 245 HA GLN 30 HA GLN 30 15.642 0.735 14.702 246 1HB GLN 30 2HB GLN 30 14.304 2.415 15.714 247 2HB GLN 30 1HB GLN 30 15.666 3.240 14.972 248 1HG GLN 30 2HG GLN 30 14.330 4.066 13.212 249 2HG GLN 30 1HG GLN 30 12.992 2.997 13.626 250 1HE2 GLN 30 1HE2 GLN 30 12.135 5.369 13.389 251 2HE2 GLN 30 2HE2 GLN 30 11.948 6.210 14.887 252 H ALA 31 H ALA 31 13.999 -0.646 14.996 253 HA ALA 31 HA ALA 31 12.311 -1.279 12.775 254 1HB ALA 31 1HB ALA 31 11.517 -3.108 14.119 255 2HB ALA 31 2HB ALA 31 12.201 -2.387 15.576 256 3HB ALA 31 3HB ALA 31 13.267 -2.982 14.304 257 H MET 32 H MET 32 10.805 0.250 12.338 258 HA MET 32 HA MET 32 8.952 0.972 14.512 259 1HB MET 32 2HB MET 32 8.475 3.033 13.319 260 2HB MET 32 1HB MET 32 10.204 2.893 13.601 261 1HG MET 32 2HG MET 32 10.581 2.240 11.324 262 2HG MET 32 1HG MET 32 8.846 2.182 11.015 263 1HE MET 32 1HE MET 32 7.736 5.801 10.820 264 2HE MET 32 2HE MET 32 7.701 4.936 12.355 265 3HE MET 32 3HE MET 32 7.309 4.090 10.858 266 H THR 33 H THR 33 6.707 1.119 13.996 267 HA THR 33 HA THR 33 5.870 -0.937 12.164 268 HB THR 33 HB THR 33 3.926 0.882 13.521 269 HG1 THR 33 1HG THR 33 4.483 0.270 15.451 270 1HG2 THR 33 1HG2 THR 33 3.009 -0.945 12.250 271 2HG2 THR 33 2HG2 THR 33 2.752 -1.226 13.972 272 3HG2 THR 33 3HG2 THR 33 4.026 -2.097 13.118 273 H PHE 34 H PHE 34 5.802 -0.513 10.065 274 HA PHE 34 HA PHE 34 5.047 2.150 9.127 275 1HB PHE 34 2HB PHE 34 6.511 -0.167 7.971 276 2HB PHE 34 1HB PHE 34 5.616 0.858 6.856 277 HD1 PHE 34 1HD PHE 34 8.393 0.717 9.237 278 HD2 PHE 34 2HD PHE 34 6.324 3.093 6.379 279 HE1 PHE 34 1HE PHE 34 10.266 2.306 9.212 280 HE2 PHE 34 2HE PHE 34 8.192 4.693 6.350 281 HZ PHE 34 HZ PHE 34 10.168 4.301 7.766 282 H ARG 35 H ARG 35 3.308 2.544 7.807 283 HA ARG 35 HA ARG 35 1.460 0.303 7.340 284 1HB ARG 35 2HB ARG 35 0.946 2.967 8.590 285 2HB ARG 35 1HB ARG 35 -0.316 2.257 7.592 286 1HG ARG 35 2HG ARG 35 -0.401 0.308 9.000 287 2HG ARG 35 1HG ARG 35 0.968 0.892 9.947 288 1HD ARG 35 2HD ARG 35 -0.895 1.446 11.241 289 2HD ARG 35 1HD ARG 35 -0.479 2.950 10.421 290 HE ARG 35 HE ARG 35 -2.435 1.374 9.023 291 1HH1 ARG 35 1HH1 ARG 35 -1.942 3.784 11.498 292 2HH1 ARG 35 2HH1 ARG 35 -3.543 4.430 11.364 293 1HH2 ARG 35 1HH2 ARG 35 -4.541 2.222 8.844 294 2HH2 ARG 35 2HH2 ARG 35 -5.019 3.543 9.858 295 H LEU 36 H LEU 36 0.421 0.276 5.376 296 HA LEU 36 HA LEU 36 1.623 1.739 3.261 297 1HB LEU 36 2HB LEU 36 -0.017 -0.532 3.520 298 2HB LEU 36 1HB LEU 36 -0.891 0.583 2.491 299 HG LEU 36 HG LEU 36 1.894 -0.478 2.016 300 1HD1 LEU 36 1HD1 LEU 36 0.972 -1.721 0.235 301 2HD1 LEU 36 2HD1 LEU 36 -0.578 -0.889 0.356 302 3HD1 LEU 36 3HD1 LEU 36 -0.077 -2.009 1.623 303 1HD2 LEU 36 1HD2 LEU 36 0.266 1.300 0.215 304 2HD2 LEU 36 2HD2 LEU 36 1.938 0.783 0.004 305 3HD2 LEU 36 3HD2 LEU 36 1.517 1.900 1.302 306 H LEU 37 H LEU 37 1.108 3.645 2.414 307 HA LEU 37 HA LEU 37 -1.023 5.192 3.550 308 1HB LEU 37 2HB LEU 37 1.325 5.952 2.756 309 2HB LEU 37 1HB LEU 37 0.592 6.011 1.165 310 HG LEU 37 HG LEU 37 -0.877 7.432 3.299 311 1HD1 LEU 37 1HD1 LEU 37 1.796 7.777 3.387 312 2HD1 LEU 37 2HD1 LEU 37 0.625 9.035 3.784 313 3HD1 LEU 37 3HD1 LEU 37 1.356 8.986 2.180 314 1HD2 LEU 37 1HD2 LEU 37 -0.097 8.732 0.775 315 2HD2 LEU 37 2HD2 LEU 37 -1.668 8.638 1.569 316 3HD2 LEU 37 3HD2 LEU 37 -1.083 7.280 0.610 317 H LEU 38 H LEU 38 -3.010 5.458 2.808 318 HA LEU 38 HA LEU 38 -4.858 5.391 1.497 319 1HB LEU 38 2HB LEU 38 -2.722 5.771 -0.572 320 2HB LEU 38 1HB LEU 38 -4.403 5.591 -1.035 321 HG LEU 38 HG LEU 38 -3.239 7.774 0.693 322 1HD1 LEU 38 1HD1 LEU 38 -2.760 8.527 -1.385 323 2HD1 LEU 38 2HD1 LEU 38 -4.449 9.031 -1.328 324 3HD1 LEU 38 3HD1 LEU 38 -4.003 7.538 -2.152 325 1HD2 LEU 38 1HD2 LEU 38 -5.574 8.715 0.526 326 2HD2 LEU 38 2HD2 LEU 38 -5.385 7.316 1.583 327 3HD2 LEU 38 3HD2 LEU 38 -6.087 7.120 -0.024 328 H VAL 39 H VAL 39 -3.582 2.887 2.290 329 HA VAL 39 HA VAL 39 -4.955 1.166 0.376 330 HB VAL 39 HB VAL 39 -2.270 0.248 1.323 331 1HG1 VAL 39 1HG1 VAL 39 -3.793 -0.368 -1.199 332 2HG1 VAL 39 2HG1 VAL 39 -3.942 -1.294 0.294 333 3HG1 VAL 39 3HG1 VAL 39 -2.395 -1.224 -0.548 334 1HG2 VAL 39 1HG2 VAL 39 -1.495 1.002 -1.039 335 2HG2 VAL 39 2HG2 VAL 39 -1.515 2.172 0.280 336 3HG2 VAL 39 3HG2 VAL 39 -2.816 2.163 -0.910 337 H ASP 40 H ASP 40 -5.782 -0.714 1.267 338 HA ASP 40 HA ASP 40 -5.232 -1.229 4.098 339 1HB ASP 40 2HB ASP 40 -7.570 0.037 3.190 340 2HB ASP 40 1HB ASP 40 -8.042 -1.623 3.541 341 H THR 41 H THR 41 -4.438 -3.227 4.071 342 HA THR 41 HA THR 41 -5.659 -5.215 2.286 343 HB THR 41 HB THR 41 -3.204 -5.974 3.713 344 HG1 THR 41 1HG THR 41 -2.677 -3.827 3.366 345 1HG2 THR 41 1HG2 THR 41 -3.247 -5.854 0.785 346 2HG2 THR 41 2HG2 THR 41 -4.462 -6.898 1.520 347 3HG2 THR 41 3HG2 THR 41 -2.753 -7.155 1.868 348 H ALA 42 H ALA 42 -7.420 -5.073 4.020 349 HA ALA 42 HA ALA 42 -7.598 -7.450 5.400 350 1HB ALA 42 1HB ALA 42 -7.409 -5.801 7.713 351 2HB ALA 42 2HB ALA 42 -5.916 -5.637 6.790 352 3HB ALA 42 3HB ALA 42 -6.466 -7.233 7.299 353 H GLU 43 H GLU 43 -9.730 -7.626 5.160 354 HA GLU 43 HA GLU 43 -11.424 -5.446 6.180 355 1HB GLU 43 2HB GLU 43 -11.213 -5.889 3.554 356 2HB GLU 43 1HB GLU 43 -12.433 -7.101 3.923 357 1HG GLU 43 2HG GLU 43 -13.645 -5.209 3.312 358 2HG GLU 43 1HG GLU 43 -13.712 -5.226 5.074 359 H THR 44 H THR 44 -10.532 -7.882 7.490 360 HA THR 44 HA THR 44 -12.592 -9.832 7.455 361 HB THR 44 HB THR 44 -11.024 -9.493 9.945 362 HG1 THR 44 1HG THR 44 -9.747 -10.230 7.527 363 1HG2 THR 44 1HG2 THR 44 -10.553 -11.864 9.617 364 2HG2 THR 44 2HG2 THR 44 -11.410 -11.818 8.077 365 3HG2 THR 44 3HG2 THR 44 -12.284 -11.528 9.581 366 H LYS 45 H LYS 45 -14.456 -8.443 7.546 367 HA LYS 45 HA LYS 45 -15.013 -7.207 10.137 368 1HB LYS 45 2HB LYS 45 -16.992 -6.261 8.992 369 2HB LYS 45 1HB LYS 45 -15.483 -5.844 8.189 370 1HG LYS 45 2HG LYS 45 -16.343 -8.233 7.006 371 2HG LYS 45 1HG LYS 45 -17.779 -7.216 7.153 372 1HD LYS 45 2HD LYS 45 -15.321 -5.893 6.178 373 2HD LYS 45 1HD LYS 45 -16.065 -7.065 5.089 374 1HE LYS 45 2HE LYS 45 -17.275 -5.269 4.446 375 2HE LYS 45 1HE LYS 45 -18.250 -5.706 5.848 376 1HZ LYS 45 1HZ LYS 45 -15.989 -3.952 6.358 377 2HZ LYS 45 2HZ LYS 45 -17.554 -3.917 7.001 378 3HZ LYS 45 3HZ LYS 45 -17.259 -3.278 5.464 379 H HIS 46 H HIS 46 -14.990 -10.168 9.576 380 HA HIS 46 HA HIS 46 -17.451 -10.758 10.965 381 1HB HIS 46 2HB HIS 46 -17.361 -11.017 8.147 382 2HB HIS 46 1HB HIS 46 -17.319 -12.648 8.805 383 HD1 HIS 46 1HD HIS 46 -19.768 -11.538 7.243 384 HD2 HIS 46 2HD HIS 46 -19.403 -11.564 11.383 385 HE1 HIS 46 1HE HIS 46 -22.121 -11.454 8.125 386 HE2 HIS 46 2HE HIS 46 -21.872 -11.380 10.632 387 H THR 47 H THR 47 -17.462 -13.521 10.588 388 HA THR 47 HA THR 47 -14.786 -14.381 11.435 389 HB THR 47 HB THR 47 -17.179 -15.494 12.841 390 HG1 THR 47 1HG THR 47 -17.408 -13.260 13.083 391 1HG2 THR 47 1HG2 THR 47 -14.324 -15.600 13.164 392 2HG2 THR 47 2HG2 THR 47 -15.585 -16.557 13.942 393 3HG2 THR 47 3HG2 THR 47 -15.109 -15.004 14.627 394 H LYS 48 H LYS 48 -15.799 -14.757 8.904 395 HA LYS 48 HA LYS 48 -17.222 -17.122 8.466 396 1HB LYS 48 2HB LYS 48 -16.579 -15.292 6.790 397 2HB LYS 48 1HB LYS 48 -15.038 -16.125 6.647 398 1HG LYS 48 2HG LYS 48 -17.375 -17.861 6.351 399 2HG LYS 48 1HG LYS 48 -17.227 -16.611 5.115 400 1HD LYS 48 2HD LYS 48 -14.969 -18.445 5.892 401 2HD LYS 48 1HD LYS 48 -16.102 -18.805 4.589 402 1HE LYS 48 2HE LYS 48 -15.421 -16.370 3.815 403 2HE LYS 48 1HE LYS 48 -13.968 -16.741 4.743 404 1HZ LYS 48 1HZ LYS 48 -14.093 -17.339 2.239 405 2HZ LYS 48 2HZ LYS 48 -14.962 -18.688 2.778 406 3HZ LYS 48 3HZ LYS 48 -13.382 -18.427 3.324 407 H LYS 49 H LYS 49 -13.699 -16.619 8.294 408 HA LYS 49 HA LYS 49 -13.066 -18.986 9.683 409 1HB LYS 49 2HB LYS 49 -12.221 -20.382 7.895 410 2HB LYS 49 1HB LYS 49 -13.921 -20.036 7.615 411 1HG LYS 49 2HG LYS 49 -13.181 -19.644 5.525 412 2HG LYS 49 1HG LYS 49 -12.842 -18.047 6.195 413 1HD LYS 49 2HD LYS 49 -10.838 -18.565 5.170 414 2HD LYS 49 1HD LYS 49 -10.544 -19.104 6.823 415 1HE LYS 49 2HE LYS 49 -11.699 -21.043 4.887 416 2HE LYS 49 1HE LYS 49 -9.990 -20.637 4.743 417 1HZ LYS 49 1HZ LYS 49 -9.931 -21.145 7.245 418 2HZ LYS 49 2HZ LYS 49 -9.994 -22.443 6.162 419 3HZ LYS 49 3HZ LYS 49 -11.394 -21.954 6.976 420 H GLY 50 H GLY 50 -12.053 -16.600 7.285 421 1HA GLY 50 2HA GLY 50 -10.044 -15.400 8.589 422 2HA GLY 50 1HA GLY 50 -9.262 -16.874 8.043 423 H VAL 51 H VAL 51 -11.134 -16.706 5.591 424 HA VAL 51 HA VAL 51 -9.548 -14.677 4.156 425 HB VAL 51 HB VAL 51 -8.969 -17.018 3.543 426 1HG1 VAL 51 1HG1 VAL 51 -10.468 -18.564 2.921 427 2HG1 VAL 51 2HG1 VAL 51 -11.388 -17.418 1.946 428 3HG1 VAL 51 3HG1 VAL 51 -11.651 -17.504 3.688 429 1HG2 VAL 51 1HG2 VAL 51 -10.219 -16.009 1.079 430 2HG2 VAL 51 2HG2 VAL 51 -8.534 -16.398 1.422 431 3HG2 VAL 51 3HG2 VAL 51 -9.207 -14.853 1.945 432 H GLU 52 H GLU 52 -12.293 -14.603 5.449 433 HA GLU 52 HA GLU 52 -14.349 -14.588 3.604 434 1HB GLU 52 2HB GLU 52 -15.364 -12.791 5.084 435 2HB GLU 52 1HB GLU 52 -14.910 -14.290 5.881 436 1HG GLU 52 2HG GLU 52 -12.827 -12.224 5.850 437 2HG GLU 52 1HG GLU 52 -14.276 -11.817 6.769 438 H LYS 53 H LYS 53 -11.799 -12.253 4.085 439 HA LYS 53 HA LYS 53 -12.642 -10.880 1.646 440 1HB LYS 53 2HB LYS 53 -11.918 -9.400 4.182 441 2HB LYS 53 1HB LYS 53 -12.339 -8.677 2.634 442 1HG LYS 53 2HG LYS 53 -14.196 -10.385 4.275 443 2HG LYS 53 1HG LYS 53 -14.169 -8.620 4.297 444 1HD LYS 53 2HD LYS 53 -14.540 -10.189 1.759 445 2HD LYS 53 1HD LYS 53 -15.898 -9.737 2.793 446 1HE LYS 53 2HE LYS 53 -13.915 -7.800 1.603 447 2HE LYS 53 1HE LYS 53 -15.506 -8.151 0.929 448 1HZ LYS 53 1HZ LYS 53 -15.749 -6.209 2.202 449 2HZ LYS 53 2HZ LYS 53 -14.870 -6.835 3.504 450 3HZ LYS 53 3HZ LYS 53 -16.410 -7.440 3.156 451 H TYR 54 H TYR 54 -10.501 -12.755 2.353 452 HA TYR 54 HA TYR 54 -8.295 -13.082 1.919 453 1HB TYR 54 2HB TYR 54 -8.554 -10.413 0.517 454 2HB TYR 54 1HB TYR 54 -7.194 -11.518 0.349 455 HD1 TYR 54 1HD TYR 54 -7.518 -13.714 -0.768 456 HD2 TYR 54 2HD TYR 54 -10.593 -10.775 -0.668 457 HE1 TYR 54 1HE TYR 54 -8.684 -14.879 -2.593 458 HE2 TYR 54 2HE TYR 54 -11.767 -11.933 -2.492 459 HH TYR 54 HH TYR 54 -11.199 -15.009 -3.385 460 H GLY 55 H GLY 55 -9.060 -11.835 4.393 461 1HA GLY 55 2HA GLY 55 -7.350 -9.681 5.060 462 2HA GLY 55 1HA GLY 55 -8.128 -10.768 6.202 463 H ALA 56 H ALA 56 -7.046 -13.171 5.711 464 HA ALA 56 HA ALA 56 -4.462 -12.949 6.871 465 1HB ALA 56 1HB ALA 56 -6.223 -15.173 6.003 466 2HB ALA 56 2HB ALA 56 -5.447 -14.883 7.560 467 3HB ALA 56 3HB ALA 56 -4.507 -15.520 6.210 468 H GLU 57 H GLU 57 -5.593 -13.955 3.656 469 HA GLU 57 HA GLU 57 -3.081 -14.537 2.559 470 1HB GLU 57 2HB GLU 57 -5.217 -15.197 1.522 471 2HB GLU 57 1HB GLU 57 -5.553 -13.511 1.153 472 1HG GLU 57 2HG GLU 57 -4.241 -13.517 -0.651 473 2HG GLU 57 1HG GLU 57 -2.975 -14.444 0.152 474 H ALA 58 H ALA 58 -4.797 -11.527 2.993 475 HA ALA 58 HA ALA 58 -3.420 -9.868 1.238 476 1HB ALA 58 1HB ALA 58 -3.892 -8.206 3.333 477 2HB ALA 58 2HB ALA 58 -5.028 -9.511 3.669 478 3HB ALA 58 3HB ALA 58 -5.096 -8.660 2.127 479 H SER 59 H SER 59 -2.675 -10.644 4.625 480 HA SER 59 HA SER 59 -0.282 -9.116 4.703 481 1HB SER 59 2HB SER 59 -0.482 -11.422 6.538 482 2HB SER 59 1HB SER 59 -0.191 -9.720 6.892 483 HG SER 59 HG SER 59 -2.196 -10.217 7.686 484 H ALA 60 H ALA 60 -1.026 -12.473 3.969 485 HA ALA 60 HA ALA 60 1.553 -13.535 3.983 486 1HB ALA 60 1HB ALA 60 -1.046 -14.301 2.886 487 2HB ALA 60 2HB ALA 60 0.174 -15.277 3.704 488 3HB ALA 60 3HB ALA 60 0.329 -14.933 1.980 489 H PHE 61 H PHE 61 -0.205 -11.828 1.444 490 HA PHE 61 HA PHE 61 1.766 -12.232 -0.571 491 1HB PHE 61 2HB PHE 61 -0.500 -11.762 -1.232 492 2HB PHE 61 1HB PHE 61 -0.508 -10.254 -0.325 493 HD1 PHE 61 1HD PHE 61 1.096 -8.415 -1.083 494 HD2 PHE 61 2HD PHE 61 0.104 -11.791 -3.476 495 HE1 PHE 61 1HE PHE 61 1.825 -7.199 -3.094 496 HE2 PHE 61 2HE PHE 61 0.834 -10.581 -5.491 497 HZ PHE 61 HZ PHE 61 1.695 -8.281 -5.301 498 H THR 62 H THR 62 1.079 -9.621 1.711 499 HA THR 62 HA THR 62 3.076 -7.872 0.663 500 HB THR 62 HB THR 62 1.711 -7.827 3.357 501 HG1 THR 62 1HG THR 62 0.084 -7.502 2.026 502 1HG2 THR 62 1HG2 THR 62 3.356 -6.281 3.673 503 2HG2 THR 62 2HG2 THR 62 2.117 -5.280 2.916 504 3HG2 THR 62 3HG2 THR 62 3.468 -5.885 1.958 505 H LYS 63 H LYS 63 3.006 -10.253 3.269 506 HA LYS 63 HA LYS 63 5.515 -9.474 4.376 507 1HB LYS 63 2HB LYS 63 5.396 -11.641 5.591 508 2HB LYS 63 1HB LYS 63 3.961 -10.643 5.777 509 1HG LYS 63 2HG LYS 63 2.789 -12.445 5.239 510 2HG LYS 63 1HG LYS 63 3.376 -12.219 3.592 511 1HD LYS 63 2HD LYS 63 3.769 -14.501 4.320 512 2HD LYS 63 1HD LYS 63 5.303 -13.658 4.099 513 1HE LYS 63 2HE LYS 63 5.788 -14.476 6.135 514 2HE LYS 63 1HE LYS 63 4.793 -13.140 6.714 515 1HZ LYS 63 1HZ LYS 63 3.677 -14.767 7.745 516 2HZ LYS 63 2HZ LYS 63 4.253 -15.982 6.719 517 3HZ LYS 63 3HZ LYS 63 2.947 -15.020 6.240 518 H LYS 64 H LYS 64 4.553 -11.927 2.007 519 HA LYS 64 HA LYS 64 7.184 -13.050 1.835 520 1HB LYS 64 2HB LYS 64 6.290 -14.274 -0.125 521 2HB LYS 64 1HB LYS 64 5.291 -14.449 1.311 522 1HG LYS 64 2HG LYS 64 3.558 -13.875 0.066 523 2HG LYS 64 1HG LYS 64 4.233 -12.247 -0.016 524 1HD LYS 64 2HD LYS 64 4.873 -12.497 -2.158 525 2HD LYS 64 1HD LYS 64 5.409 -14.160 -1.905 526 1HE LYS 64 2HE LYS 64 2.690 -14.376 -1.648 527 2HE LYS 64 1HE LYS 64 2.853 -13.133 -2.891 528 1HZ LYS 64 1HZ LYS 64 3.857 -14.576 -4.335 529 2HZ LYS 64 2HZ LYS 64 2.815 -15.639 -3.532 530 3HZ LYS 64 3HZ LYS 64 4.453 -15.585 -3.114 531 H MET 65 H MET 65 5.374 -10.621 0.054 532 HA MET 65 HA MET 65 7.234 -10.395 -2.091 533 1HB MET 65 2HB MET 65 4.843 -9.671 -2.196 534 2HB MET 65 1HB MET 65 5.245 -8.334 -1.127 535 1HG MET 65 2HG MET 65 7.093 -7.979 -3.054 536 2HG MET 65 1HG MET 65 5.785 -8.699 -3.992 537 1HE MET 65 1HE MET 65 7.160 -6.191 -4.412 538 2HE MET 65 2HE MET 65 6.442 -4.675 -3.865 539 3HE MET 65 3HE MET 65 5.730 -5.550 -5.221 540 H VAL 66 H VAL 66 6.852 -8.800 1.018 541 HA VAL 66 HA VAL 66 8.882 -6.829 0.492 542 HB VAL 66 HB VAL 66 8.631 -6.196 2.839 543 1HG1 VAL 66 1HG1 VAL 66 6.211 -6.559 1.131 544 2HG1 VAL 66 2HG1 VAL 66 7.073 -5.081 1.561 545 3HG1 VAL 66 3HG1 VAL 66 6.043 -5.878 2.749 546 1HG2 VAL 66 1HG2 VAL 66 6.720 -7.424 4.088 547 2HG2 VAL 66 2HG2 VAL 66 8.328 -8.147 4.055 548 3HG2 VAL 66 3HG2 VAL 66 7.072 -8.747 2.977 549 H GLU 67 H GLU 67 8.725 -9.923 2.183 550 HA GLU 67 HA GLU 67 11.399 -9.686 3.222 551 1HB GLU 67 2HB GLU 67 11.073 -11.886 4.124 552 2HB GLU 67 1HB GLU 67 9.598 -10.964 4.376 553 1HG GLU 67 2HG GLU 67 8.628 -12.833 3.601 554 2HG GLU 67 1HG GLU 67 9.008 -12.127 2.031 555 H ASN 68 H ASN 68 9.852 -11.228 0.475 556 HA ASN 68 HA ASN 68 12.234 -12.651 -0.309 557 1HB ASN 68 2HB ASN 68 9.915 -13.482 -0.768 558 2HB ASN 68 1HB ASN 68 9.725 -12.168 -1.924 559 1HD2 ASN 68 1HD2 ASN 68 10.749 -15.326 -1.458 560 2HD2 ASN 68 2HD2 ASN 68 11.543 -15.565 -2.973 561 H ALA 69 H ALA 69 10.801 -9.562 -0.955 562 HA ALA 69 HA ALA 69 11.986 -8.967 -3.421 563 1HB ALA 69 1HB ALA 69 10.461 -7.370 -2.971 564 2HB ALA 69 2HB ALA 69 11.850 -6.532 -2.280 565 3HB ALA 69 3HB ALA 69 10.751 -7.429 -1.233 566 H LYS 70 H LYS 70 13.197 -8.689 -0.130 567 HA LYS 70 HA LYS 70 15.369 -8.709 0.613 568 1HB LYS 70 2HB LYS 70 16.359 -8.047 -2.152 569 2HB LYS 70 1HB LYS 70 17.239 -8.793 -0.825 570 1HG LYS 70 2HG LYS 70 15.292 -10.614 -1.164 571 2HG LYS 70 1HG LYS 70 15.426 -9.994 -2.810 572 1HD LYS 70 2HD LYS 70 17.921 -10.360 -2.605 573 2HD LYS 70 1HD LYS 70 17.579 -11.244 -1.118 574 1HE LYS 70 2HE LYS 70 15.868 -12.506 -2.694 575 2HE LYS 70 1HE LYS 70 16.991 -11.964 -3.942 576 1HZ LYS 70 1HZ LYS 70 18.715 -13.195 -3.039 577 2HZ LYS 70 2HZ LYS 70 17.388 -14.225 -2.846 578 3HZ LYS 70 3HZ LYS 70 17.972 -13.344 -1.526 579 H LYS 71 H LYS 71 14.161 -6.197 -1.496 580 HA LYS 71 HA LYS 71 15.576 -4.223 0.167 581 1HB LYS 71 2HB LYS 71 15.040 -4.126 -2.801 582 2HB LYS 71 1HB LYS 71 15.550 -2.728 -1.861 583 1HG LYS 71 2HG LYS 71 17.576 -3.415 -2.583 584 2HG LYS 71 1HG LYS 71 17.462 -4.406 -1.125 585 1HD LYS 71 2HD LYS 71 17.507 -6.285 -2.322 586 2HD LYS 71 1HD LYS 71 16.183 -5.723 -3.347 587 1HE LYS 71 2HE LYS 71 17.737 -4.537 -4.767 588 2HE LYS 71 1HE LYS 71 19.078 -4.950 -3.701 589 1HZ LYS 71 1HZ LYS 71 19.143 -6.438 -5.518 590 2HZ LYS 71 2HZ LYS 71 17.492 -6.788 -5.401 591 3HZ LYS 71 3HZ LYS 71 18.558 -7.329 -4.204 592 H ILE 72 H ILE 72 14.253 -2.991 1.289 593 HA ILE 72 HA ILE 72 11.558 -2.495 0.208 594 HB ILE 72 HB ILE 72 12.212 -2.723 3.141 595 1HG1 ILE 72 2HG1 ILE 72 10.734 -4.859 2.807 596 2HG1 ILE 72 1HG1 ILE 72 11.262 -4.741 1.132 597 1HG2 ILE 72 1HG2 ILE 72 9.650 -2.445 1.587 598 2HG2 ILE 72 2HG2 ILE 72 10.312 -1.339 2.791 599 3HG2 ILE 72 3HG2 ILE 72 9.708 -2.921 3.285 600 1HD1 ILE 72 1HD1 ILE 72 13.259 -4.718 3.351 601 2HD1 ILE 72 2HD1 ILE 72 13.464 -5.184 1.662 602 3HD1 ILE 72 3HD1 ILE 72 12.574 -6.233 2.765 603 H GLU 73 H GLU 73 11.000 -0.460 -0.055 604 HA GLU 73 HA GLU 73 12.438 1.632 1.435 605 1HB GLU 73 2HB GLU 73 11.780 1.505 -1.499 606 2HB GLU 73 1HB GLU 73 12.099 3.032 -0.689 607 1HG GLU 73 2HG GLU 73 14.297 2.697 -0.692 608 2HG GLU 73 1HG GLU 73 14.131 1.030 -0.142 609 H VAL 74 H VAL 74 11.242 3.527 1.907 610 HA VAL 74 HA VAL 74 8.330 3.234 1.587 611 HB VAL 74 HB VAL 74 8.019 4.346 3.732 612 1HG1 VAL 74 1HG1 VAL 74 9.501 1.805 3.492 613 2HG1 VAL 74 2HG1 VAL 74 7.924 2.138 4.207 614 3HG1 VAL 74 3HG1 VAL 74 9.395 2.501 5.109 615 1HG2 VAL 74 1HG2 VAL 74 10.989 4.165 4.174 616 2HG2 VAL 74 2HG2 VAL 74 9.783 4.966 5.179 617 3HG2 VAL 74 3HG2 VAL 74 10.195 5.629 3.599 618 H GLU 75 H GLU 75 7.110 5.112 1.271 619 HA GLU 75 HA GLU 75 8.615 7.574 0.729 620 1HB GLU 75 2HB GLU 75 8.011 6.132 -1.353 621 2HB GLU 75 1HB GLU 75 6.378 6.723 -1.082 622 1HG GLU 75 2HG GLU 75 7.910 9.009 -0.969 623 2HG GLU 75 1HG GLU 75 8.676 8.058 -2.240 624 H PHE 76 H PHE 76 7.815 9.111 1.993 625 HA PHE 76 HA PHE 76 5.070 8.921 2.952 626 1HB PHE 76 2HB PHE 76 7.447 10.584 3.753 627 2HB PHE 76 1HB PHE 76 5.829 10.963 4.334 628 HD1 PHE 76 1HD PHE 76 8.438 8.346 4.285 629 HD2 PHE 76 2HD PHE 76 4.860 9.760 6.105 630 HE1 PHE 76 1HE PHE 76 8.703 6.688 6.083 631 HE2 PHE 76 2HE PHE 76 5.119 8.105 7.906 632 HZ PHE 76 HZ PHE 76 7.041 6.567 7.898 633 H ASP 77 H ASP 77 3.527 10.539 2.699 634 HA ASP 77 HA ASP 77 3.910 12.192 0.323 635 1HB ASP 77 2HB ASP 77 1.818 10.628 1.073 636 2HB ASP 77 1HB ASP 77 1.282 12.194 1.672 637 H LYS 78 H LYS 78 2.039 14.185 0.803 638 HA LYS 78 HA LYS 78 3.553 15.881 2.613 639 1HB LYS 78 2HB LYS 78 1.628 16.311 0.397 640 2HB LYS 78 1HB LYS 78 1.667 17.535 1.658 641 1HG LYS 78 2HG LYS 78 3.168 18.317 0.069 642 2HG LYS 78 1HG LYS 78 4.201 17.564 1.287 643 1HD LYS 78 2HD LYS 78 4.640 15.710 -0.060 644 2HD LYS 78 1HD LYS 78 3.246 16.016 -1.097 645 1HE LYS 78 2HE LYS 78 5.273 16.583 -2.279 646 2HE LYS 78 1HE LYS 78 4.356 18.050 -1.940 647 1HZ LYS 78 1HZ LYS 78 5.877 18.101 0.160 648 2HZ LYS 78 2HZ LYS 78 6.449 18.680 -1.323 649 3HZ LYS 78 3HZ LYS 78 6.897 17.139 -0.788 650 H GLY 79 H GLY 79 1.282 13.727 3.234 651 1HA GLY 79 2HA GLY 79 -0.483 15.422 4.827 652 2HA GLY 79 1HA GLY 79 -0.673 13.698 4.550 653 H GLN 80 H GLN 80 -1.007 13.324 6.767 654 HA GLN 80 HA GLN 80 1.048 14.045 8.666 655 1HB GLN 80 2HB GLN 80 -0.366 12.936 10.314 656 2HB GLN 80 1HB GLN 80 -1.319 14.034 9.327 657 1HG GLN 80 2HG GLN 80 -1.662 11.780 7.928 658 2HG GLN 80 1HG GLN 80 -1.416 11.095 9.533 659 1HE2 GLN 80 1HE2 GLN 80 -2.627 12.686 11.224 660 2HE2 GLN 80 2HE2 GLN 80 -4.306 12.870 10.863 661 H ARG 81 H ARG 81 2.580 12.746 9.541 662 HA ARG 81 HA ARG 81 3.348 10.412 8.100 663 1HB ARG 81 2HB ARG 81 4.902 12.046 9.248 664 2HB ARG 81 1HB ARG 81 4.415 11.319 10.773 665 1HG ARG 81 2HG ARG 81 5.144 9.097 9.631 666 2HG ARG 81 1HG ARG 81 6.054 10.169 8.565 667 1HD ARG 81 2HD ARG 81 7.233 11.112 10.440 668 2HD ARG 81 1HD ARG 81 6.235 10.202 11.574 669 HE ARG 81 HE ARG 81 7.538 8.355 11.194 670 1HH1 ARG 81 1HH1 ARG 81 8.192 10.736 8.727 671 2HH1 ARG 81 2HH1 ARG 81 9.544 9.874 8.077 672 1HH2 ARG 81 1HH2 ARG 81 9.318 7.220 10.340 673 2HH2 ARG 81 2HH2 ARG 81 10.185 7.877 8.992 674 H THR 82 H THR 82 1.552 11.003 11.021 675 HA THR 82 HA THR 82 1.153 8.103 11.310 676 HB THR 82 HB THR 82 1.326 8.197 13.663 677 HG1 THR 82 1HG THR 82 1.434 11.023 13.461 678 1HG2 THR 82 1HG2 THR 82 3.525 8.365 13.776 679 2HG2 THR 82 2HG2 THR 82 3.459 10.112 13.542 680 3HG2 THR 82 3HG2 THR 82 3.505 9.036 12.145 681 H ASP 83 H ASP 83 -0.884 7.841 10.630 682 HA ASP 83 HA ASP 83 -2.912 9.816 10.887 683 1HB ASP 83 2HB ASP 83 -2.621 7.686 9.277 684 2HB ASP 83 1HB ASP 83 -3.697 6.982 10.479 685 H LYS 84 H LYS 84 -2.355 9.983 13.318 686 HA LYS 84 HA LYS 84 -2.897 9.643 15.511 687 1HB LYS 84 2HB LYS 84 -5.489 9.156 14.062 688 2HB LYS 84 1HB LYS 84 -5.398 9.128 15.819 689 1HG LYS 84 2HG LYS 84 -5.150 11.368 15.981 690 2HG LYS 84 1HG LYS 84 -4.226 11.485 14.482 691 1HD LYS 84 2HD LYS 84 -6.068 11.825 13.227 692 2HD LYS 84 1HD LYS 84 -7.031 10.672 14.151 693 1HE LYS 84 2HE LYS 84 -7.110 12.401 15.990 694 2HE LYS 84 1HE LYS 84 -6.415 13.537 14.834 695 1HZ LYS 84 1HZ LYS 84 -8.308 13.353 13.452 696 2HZ LYS 84 2HZ LYS 84 -8.893 13.578 15.022 697 3HZ LYS 84 3HZ LYS 84 -8.922 12.039 14.323 698 H TYR 85 H TYR 85 -1.803 7.316 14.103 699 HA TYR 85 HA TYR 85 -2.931 5.209 15.828 700 1HB TYR 85 2HB TYR 85 -2.556 5.241 12.946 701 2HB TYR 85 1HB TYR 85 -1.713 3.889 13.697 702 HD1 TYR 85 2HD TYR 85 -5.040 5.588 13.892 703 HD2 TYR 85 1HD TYR 85 -2.884 1.922 13.928 704 HE1 TYR 85 2HE TYR 85 -7.160 4.351 14.027 705 HE2 TYR 85 1HE TYR 85 -4.998 0.673 14.062 706 HH TYR 85 HH TYR 85 -7.772 1.658 13.249 707 H GLY 86 H GLY 86 -0.469 7.164 15.785 708 1HA GLY 86 2HA GLY 86 1.704 7.096 16.517 709 2HA GLY 86 1HA GLY 86 1.247 5.600 17.318 710 H ARG 87 H ARG 87 0.924 5.737 13.886 711 HA ARG 87 HA ARG 87 3.349 4.085 13.617 712 1HB ARG 87 2HB ARG 87 0.866 3.964 11.903 713 2HB ARG 87 1HB ARG 87 2.254 2.887 11.824 714 1HG ARG 87 2HG ARG 87 1.377 2.751 14.468 715 2HG ARG 87 1HG ARG 87 -0.090 2.742 13.487 716 1HD ARG 87 2HD ARG 87 1.596 1.027 12.134 717 2HD ARG 87 1HD ARG 87 1.946 0.689 13.828 718 HE ARG 87 HE ARG 87 -0.360 -0.092 12.407 719 1HH1 ARG 87 1HH1 ARG 87 0.612 1.145 15.523 720 2HH1 ARG 87 2HH1 ARG 87 -0.719 0.423 16.363 721 1HH2 ARG 87 1HH2 ARG 87 -2.111 -1.042 13.512 722 2HH2 ARG 87 2HH2 ARG 87 -2.265 -0.817 15.223 723 H GLY 88 H GLY 88 4.094 4.037 11.229 724 1HA GLY 88 2HA GLY 88 4.197 6.836 10.298 725 2HA GLY 88 1HA GLY 88 5.499 5.671 10.098 726 H LEU 89 H LEU 89 2.185 6.431 9.088 727 HA LEU 89 HA LEU 89 1.946 4.493 7.097 728 1HB LEU 89 2HB LEU 89 0.274 6.039 6.062 729 2HB LEU 89 1HB LEU 89 -0.007 5.658 7.747 730 HG LEU 89 HG LEU 89 1.050 7.869 8.331 731 1HD1 LEU 89 1HD1 LEU 89 2.226 8.802 6.669 732 2HD1 LEU 89 2HD1 LEU 89 0.663 9.384 6.100 733 3HD1 LEU 89 3HD1 LEU 89 1.356 7.912 5.420 734 1HD2 LEU 89 1HD2 LEU 89 -1.005 8.766 8.377 735 2HD2 LEU 89 2HD2 LEU 89 -1.520 7.232 7.676 736 3HD2 LEU 89 3HD2 LEU 89 -1.215 8.619 6.632 737 H ALA 90 H ALA 90 2.398 4.433 4.932 738 HA ALA 90 HA ALA 90 3.341 6.503 3.331 739 1HB ALA 90 1HB ALA 90 5.451 5.106 4.917 740 2HB ALA 90 2HB ALA 90 5.317 6.808 4.477 741 3HB ALA 90 3HB ALA 90 5.807 5.621 3.268 742 H TYR 91 H TYR 91 4.450 5.646 1.317 743 HA TYR 91 HA TYR 91 3.062 3.266 0.481 744 1HB TYR 91 2HB TYR 91 5.015 5.037 -1.005 745 2HB TYR 91 1HB TYR 91 4.067 3.744 -1.731 746 HD1 TYR 91 2HD TYR 91 1.572 3.960 -1.821 747 HD2 TYR 91 1HD TYR 91 4.082 7.184 -0.632 748 HE1 TYR 91 2HE TYR 91 -0.269 5.537 -2.230 749 HE2 TYR 91 1HE TYR 91 2.247 8.769 -1.038 750 HH TYR 91 HH TYR 91 0.197 8.938 -2.278 751 H ILE 92 H ILE 92 3.849 1.257 0.347 752 HA ILE 92 HA ILE 92 6.654 0.841 1.085 753 HB ILE 92 HB ILE 92 4.471 -1.234 0.917 754 1HG1 ILE 92 2HG1 ILE 92 3.928 0.559 2.554 755 2HG1 ILE 92 1HG1 ILE 92 4.195 -1.007 3.313 756 1HG2 ILE 92 1HG2 ILE 92 7.162 -1.593 1.034 757 2HG2 ILE 92 2HG2 ILE 92 5.967 -2.740 1.643 758 3HG2 ILE 92 3HG2 ILE 92 6.734 -1.598 2.746 759 1HD1 ILE 92 1HD1 ILE 92 5.357 1.401 4.014 760 2HD1 ILE 92 2HD1 ILE 92 6.635 0.530 3.165 761 3HD1 ILE 92 3HD1 ILE 92 5.842 -0.205 4.558 762 H TYR 93 H TYR 93 8.109 -0.045 -0.251 763 HA TYR 93 HA TYR 93 7.172 -1.214 -2.776 764 1HB TYR 93 2HB TYR 93 9.571 0.610 -2.586 765 2HB TYR 93 1HB TYR 93 8.823 -0.031 -4.045 766 HD1 TYR 93 1HD TYR 93 8.212 2.240 -1.167 767 HD2 TYR 93 2HD TYR 93 7.131 1.167 -5.139 768 HE1 TYR 93 1HE TYR 93 6.811 4.255 -1.323 769 HE2 TYR 93 2HE TYR 93 5.726 3.179 -5.306 770 HH TYR 93 HH TYR 93 5.950 5.724 -3.616 771 H ALA 94 H ALA 94 8.116 -3.093 -3.294 772 HA ALA 94 HA ALA 94 10.435 -3.938 -1.686 773 1HB ALA 94 1HB ALA 94 8.975 -6.075 -3.019 774 2HB ALA 94 2HB ALA 94 7.971 -5.142 -1.910 775 3HB ALA 94 3HB ALA 94 9.448 -5.907 -1.328 776 H ASP 95 H ASP 95 12.255 -4.603 -2.666 777 HA ASP 95 HA ASP 95 13.825 -4.620 -4.339 778 1HB ASP 95 2HB ASP 95 12.560 -6.906 -4.295 779 2HB ASP 95 1HB ASP 95 11.939 -6.384 -5.859 780 H GLY 96 H GLY 96 12.283 -2.339 -4.637 781 1HA GLY 96 2HA GLY 96 12.061 -0.659 -6.201 782 2HA GLY 96 1HA GLY 96 12.745 -1.750 -7.395 783 H LYS 97 H LYS 97 9.943 -2.719 -5.589 784 HA LYS 97 HA LYS 97 8.262 -2.188 -7.946 785 1HB LYS 97 2HB LYS 97 8.762 -4.562 -7.847 786 2HB LYS 97 1HB LYS 97 8.268 -4.629 -6.161 787 1HG LYS 97 2HG LYS 97 5.993 -4.256 -6.728 788 2HG LYS 97 1HG LYS 97 6.410 -3.872 -8.399 789 1HD LYS 97 2HD LYS 97 7.016 -6.548 -7.169 790 2HD LYS 97 1HD LYS 97 5.467 -6.197 -7.940 791 1HE LYS 97 2HE LYS 97 7.878 -5.493 -9.488 792 2HE LYS 97 1HE LYS 97 7.594 -7.215 -9.242 793 1HZ LYS 97 1HZ LYS 97 5.551 -7.103 -10.335 794 2HZ LYS 97 2HZ LYS 97 6.572 -6.147 -11.285 795 3HZ LYS 97 3HZ LYS 97 5.468 -5.416 -10.235 796 H MET 98 H MET 98 6.005 -1.852 -7.518 797 HA MET 98 HA MET 98 5.579 -0.457 -5.014 798 1HB MET 98 2HB MET 98 4.311 -0.516 -7.670 799 2HB MET 98 1HB MET 98 3.192 -0.306 -6.330 800 1HG MET 98 2HG MET 98 4.320 1.659 -5.597 801 2HG MET 98 1HG MET 98 5.637 1.393 -6.739 802 1HE MET 98 1HE MET 98 3.174 3.460 -5.822 803 2HE MET 98 2HE MET 98 2.378 4.158 -7.232 804 3HE MET 98 3HE MET 98 4.095 4.450 -6.954 805 H VAL 99 H VAL 99 4.956 -1.557 -3.284 806 HA VAL 99 HA VAL 99 3.778 -4.135 -3.382 807 HB VAL 99 HB VAL 99 3.795 -2.244 -1.029 808 1HG1 VAL 99 1HG1 VAL 99 2.502 -4.603 -1.246 809 2HG1 VAL 99 2HG1 VAL 99 3.153 -3.972 0.268 810 3HG1 VAL 99 3HG1 VAL 99 4.074 -5.152 -0.664 811 1HG2 VAL 99 1HG2 VAL 99 6.027 -3.045 -2.366 812 2HG2 VAL 99 2HG2 VAL 99 5.858 -4.323 -1.163 813 3HG2 VAL 99 3HG2 VAL 99 5.973 -2.640 -0.651 814 H ASN 100 H ASN 100 2.484 -0.902 -2.734 815 HA ASN 100 HA ASN 100 -0.128 -1.644 -2.066 816 1HB ASN 100 2HB ASN 100 -0.713 0.696 -2.863 817 2HB ASN 100 1HB ASN 100 0.538 0.594 -1.629 818 1HD2 ASN 100 1HD2 ASN 100 -0.291 2.083 -4.402 819 2HD2 ASN 100 2HD2 ASN 100 1.275 2.509 -4.996 820 H GLU 101 H GLU 101 1.245 -0.737 -5.219 821 HA GLU 101 HA GLU 101 -1.122 -1.036 -6.700 822 1HB GLU 101 2HB GLU 101 1.787 -1.170 -7.473 823 2HB GLU 101 1HB GLU 101 0.497 -1.340 -8.654 824 1HG GLU 101 2HG GLU 101 0.799 1.038 -6.840 825 2HG GLU 101 1HG GLU 101 1.467 0.948 -8.469 826 H ALA 102 H ALA 102 1.483 -3.320 -5.961 827 HA ALA 102 HA ALA 102 0.651 -5.437 -7.573 828 1HB ALA 102 1HB ALA 102 2.785 -5.105 -6.088 829 2HB ALA 102 2HB ALA 102 2.194 -6.724 -6.464 830 3HB ALA 102 3HB ALA 102 1.837 -5.997 -4.898 831 H LEU 103 H LEU 103 -0.062 -4.886 -4.121 832 HA LEU 103 HA LEU 103 -1.757 -7.077 -3.769 833 1HB LEU 103 2HB LEU 103 -1.659 -4.406 -2.380 834 2HB LEU 103 1HB LEU 103 -2.711 -5.711 -1.865 835 HG LEU 103 HG LEU 103 0.172 -6.353 -2.139 836 1HD1 LEU 103 1HD1 LEU 103 -0.921 -4.691 0.128 837 2HD1 LEU 103 2HD1 LEU 103 0.261 -4.167 -1.073 838 3HD1 LEU 103 3HD1 LEU 103 0.674 -5.442 0.074 839 1HD2 LEU 103 1HD2 LEU 103 -0.378 -7.587 -0.020 840 2HD2 LEU 103 2HD2 LEU 103 -1.280 -8.101 -1.446 841 3HD2 LEU 103 3HD2 LEU 103 -2.050 -7.071 -0.240 842 H VAL 104 H VAL 104 -2.624 -3.685 -4.441 843 HA VAL 104 HA VAL 104 -5.394 -4.132 -4.649 844 HB VAL 104 HB VAL 104 -3.826 -1.953 -6.025 845 1HG1 VAL 104 1HG1 VAL 104 -6.450 -2.549 -6.315 846 2HG1 VAL 104 2HG1 VAL 104 -5.779 -0.926 -6.468 847 3HG1 VAL 104 3HG1 VAL 104 -6.512 -1.436 -4.947 848 1HG2 VAL 104 1HG2 VAL 104 -3.779 -2.450 -3.340 849 2HG2 VAL 104 2HG2 VAL 104 -5.128 -1.323 -3.479 850 3HG2 VAL 104 3HG2 VAL 104 -3.533 -0.870 -4.083 851 H ARG 105 H ARG 105 -2.817 -4.146 -7.071 852 HA ARG 105 HA ARG 105 -4.538 -4.430 -9.314 853 1HB ARG 105 2HB ARG 105 -2.177 -3.614 -9.415 854 2HB ARG 105 1HB ARG 105 -1.640 -5.256 -9.089 855 1HG ARG 105 2HG ARG 105 -3.504 -5.089 -11.319 856 2HG ARG 105 1HG ARG 105 -2.031 -4.148 -11.566 857 1HD ARG 105 2HD ARG 105 -0.840 -6.303 -10.724 858 2HD ARG 105 1HD ARG 105 -2.357 -7.092 -11.152 859 HE ARG 105 HE ARG 105 -1.445 -5.483 -13.292 860 1HH1 ARG 105 1HH1 ARG 105 -0.777 -8.495 -11.661 861 2HH1 ARG 105 2HH1 ARG 105 -0.090 -9.245 -13.063 862 1HH2 ARG 105 1HH2 ARG 105 -0.544 -6.468 -15.136 863 2HH2 ARG 105 2HH2 ARG 105 0.043 -8.095 -15.036 864 H GLN 106 H GLN 106 -3.213 -6.655 -7.006 865 HA GLN 106 HA GLN 106 -3.937 -8.963 -8.642 866 1HB GLN 106 2HB GLN 106 -2.264 -8.523 -6.226 867 2HB GLN 106 1HB GLN 106 -3.055 -10.086 -6.375 868 1HG GLN 106 2HG GLN 106 -1.268 -10.680 -7.556 869 2HG GLN 106 1HG GLN 106 -1.988 -9.745 -8.865 870 1HE2 GLN 106 1HE2 GLN 106 -1.293 -7.554 -9.146 871 2HE2 GLN 106 2HE2 GLN 106 0.290 -7.077 -8.646 872 H GLY 107 H GLY 107 -5.067 -7.118 -5.934 873 1HA GLY 107 2HA GLY 107 -7.365 -7.203 -5.282 874 2HA GLY 107 1HA GLY 107 -7.406 -8.891 -5.770 875 H LEU 108 H LEU 108 -5.518 -6.866 -3.516 876 HA LEU 108 HA LEU 108 -6.156 -8.796 -1.399 877 1HB LEU 108 2HB LEU 108 -3.473 -7.980 -2.382 878 2HB LEU 108 1HB LEU 108 -3.671 -8.156 -0.648 879 HG LEU 108 HG LEU 108 -2.814 -10.214 -1.520 880 1HD1 LEU 108 1HD1 LEU 108 -5.597 -11.101 -1.236 881 2HD1 LEU 108 2HD1 LEU 108 -5.014 -10.050 0.054 882 3HD1 LEU 108 3HD1 LEU 108 -4.159 -11.548 -0.317 883 1HD2 LEU 108 1HD2 LEU 108 -4.119 -9.590 -3.824 884 2HD2 LEU 108 2HD2 LEU 108 -5.127 -10.892 -3.188 885 3HD2 LEU 108 3HD2 LEU 108 -3.406 -11.163 -3.464 886 H ALA 109 H ALA 109 -4.900 -5.583 -2.207 887 HA ALA 109 HA ALA 109 -5.858 -4.625 0.408 888 1HB ALA 109 1HB ALA 109 -4.075 -3.263 0.586 889 2HB ALA 109 2HB ALA 109 -4.055 -2.888 -1.137 890 3HB ALA 109 3HB ALA 109 -3.349 -4.394 -0.554 891 H LYS 110 H LYS 110 -7.040 -2.707 0.518 892 HA LYS 110 HA LYS 110 -8.359 -1.965 -2.001 893 1HB LYS 110 2HB LYS 110 -10.203 -1.145 -0.599 894 2HB LYS 110 1HB LYS 110 -9.856 -2.838 -0.280 895 1HG LYS 110 2HG LYS 110 -9.886 -2.253 1.867 896 2HG LYS 110 1HG LYS 110 -8.284 -1.580 1.564 897 1HD LYS 110 2HD LYS 110 -9.014 0.545 1.711 898 2HD LYS 110 1HD LYS 110 -10.515 0.191 0.853 899 1HE LYS 110 2HE LYS 110 -10.296 -0.987 3.538 900 2HE LYS 110 1HE LYS 110 -10.356 0.775 3.496 901 1HZ LYS 110 1HZ LYS 110 -12.379 -1.166 2.594 902 2HZ LYS 110 2HZ LYS 110 -12.347 0.389 1.934 903 3HZ LYS 110 3HZ LYS 110 -12.567 0.184 3.597 904 H VAL 111 H VAL 111 -9.454 0.463 -1.281 905 HA VAL 111 HA VAL 111 -7.050 2.140 -1.147 906 HB VAL 111 HB VAL 111 -9.807 2.958 -2.064 907 1HG1 VAL 111 1HG1 VAL 111 -8.416 4.817 -1.369 908 2HG1 VAL 111 2HG1 VAL 111 -8.593 4.820 -3.123 909 3HG1 VAL 111 3HG1 VAL 111 -7.097 4.243 -2.388 910 1HG2 VAL 111 1HG2 VAL 111 -7.468 2.236 -3.819 911 2HG2 VAL 111 2HG2 VAL 111 -9.121 2.603 -4.313 912 3HG2 VAL 111 3HG2 VAL 111 -8.774 1.116 -3.429 913 H ALA 112 H ALA 112 -6.629 3.140 0.699 914 HA ALA 112 HA ALA 112 -8.368 3.194 2.910 915 1HB ALA 112 1HB ALA 112 -6.594 3.980 4.045 916 2HB ALA 112 2HB ALA 112 -6.280 5.260 2.873 917 3HB ALA 112 3HB ALA 112 -5.707 3.622 2.564 918 H TYR 113 H TYR 113 -8.183 5.784 3.932 919 HA TYR 113 HA TYR 113 -9.436 7.574 2.018 920 1HB TYR 113 2HB TYR 113 -11.402 7.952 3.512 921 2HB TYR 113 1HB TYR 113 -11.366 6.350 2.782 922 HD1 TYR 113 2HD TYR 113 -10.215 4.489 4.257 923 HD2 TYR 113 1HD TYR 113 -11.808 8.127 5.782 924 HE1 TYR 113 2HE TYR 113 -10.403 3.465 6.484 925 HE2 TYR 113 1HE TYR 113 -12.000 7.113 8.014 926 HH TYR 113 HH TYR 113 -12.131 4.148 8.684 927 H VAL 114 H VAL 114 -7.418 8.680 2.505 928 HA VAL 114 HA VAL 114 -6.869 9.642 5.130 929 HB VAL 114 HB VAL 114 -5.845 10.731 2.508 930 1HG1 VAL 114 1HG1 VAL 114 -3.862 11.267 4.102 931 2HG1 VAL 114 2HG1 VAL 114 -5.080 11.134 5.369 932 3HG1 VAL 114 3HG1 VAL 114 -5.273 12.324 4.083 933 1HG2 VAL 114 1HG2 VAL 114 -4.119 8.977 4.108 934 2HG2 VAL 114 2HG2 VAL 114 -4.350 9.058 2.362 935 3HG2 VAL 114 3HG2 VAL 114 -5.505 8.179 3.365 936 H TYR 115 H TYR 115 -6.871 11.894 5.784 937 HA TYR 115 HA TYR 115 -9.364 13.137 5.383 938 1HB TYR 115 2HB TYR 115 -6.821 14.327 6.511 939 2HB TYR 115 1HB TYR 115 -8.441 14.991 6.701 940 HD1 TYR 115 1HD TYR 115 -6.171 12.273 7.689 941 HD2 TYR 115 2HD TYR 115 -9.993 14.045 8.279 942 HE1 TYR 115 1HE TYR 115 -6.474 10.926 9.723 943 HE2 TYR 115 2HE TYR 115 -10.307 12.703 10.316 944 HH TYR 115 HH TYR 115 -8.837 11.555 12.009 945 H LYS 116 H LYS 116 -6.112 14.071 4.267 946 HA LYS 116 HA LYS 116 -6.899 14.899 1.727 947 1HB LYS 116 2HB LYS 116 -6.613 17.423 2.113 948 2HB LYS 116 1HB LYS 116 -8.147 16.695 2.569 949 1HG LYS 116 2HG LYS 116 -7.904 17.303 4.688 950 2HG LYS 116 1HG LYS 116 -6.268 16.645 4.762 951 1HD LYS 116 2HD LYS 116 -6.850 19.266 3.416 952 2HD LYS 116 1HD LYS 116 -6.574 19.164 5.157 953 1HE LYS 116 2HE LYS 116 -4.422 19.478 4.561 954 2HE LYS 116 1HE LYS 116 -4.473 17.741 4.264 955 1HZ LYS 116 1HZ LYS 116 -5.117 19.707 2.151 956 2HZ LYS 116 2HZ LYS 116 -4.717 18.074 1.975 957 3HZ LYS 116 3HZ LYS 116 -3.532 19.189 2.437 958 H GLY 117 H GLY 117 -4.720 15.395 4.441 959 1HA GLY 117 2HA GLY 117 -2.546 16.572 3.229 960 2HA GLY 117 1HA GLY 117 -2.427 15.409 4.540 961 H ASN 118 H ASN 118 -3.057 13.053 3.540 962 HA ASN 118 HA ASN 118 -0.954 12.600 1.572 963 1HB ASN 118 2HB ASN 118 -2.575 10.430 2.882 964 2HB ASN 118 1HB ASN 118 -0.929 10.356 2.264 965 1HD2 ASN 118 1HD2 ASN 118 0.747 11.325 3.469 966 2HD2 ASN 118 2HD2 ASN 118 0.576 11.606 5.165 967 H ASN 119 H ASN 119 -1.981 13.379 -0.300 968 HA ASN 119 HA ASN 119 -3.684 11.426 -1.581 969 1HB ASN 119 2HB ASN 119 -4.676 14.104 -0.727 970 2HB ASN 119 1HB ASN 119 -5.187 13.506 -2.303 971 1HD2 ASN 119 1HD2 ASN 119 -5.939 11.153 -2.236 972 2HD2 ASN 119 2HD2 ASN 119 -7.002 10.741 -0.938 973 H THR 120 H THR 120 -1.217 11.777 -2.336 974 HA THR 120 HA THR 120 -1.190 13.738 -4.521 975 HB THR 120 HB THR 120 1.095 12.142 -3.346 976 HG1 THR 120 1HG THR 120 0.118 13.814 -1.993 977 1HG2 THR 120 1HG2 THR 120 2.536 13.133 -4.752 978 2HG2 THR 120 2HG2 THR 120 1.601 14.625 -4.837 979 3HG2 THR 120 3HG2 THR 120 1.118 13.225 -5.795 980 H HIS 121 H HIS 121 -0.758 10.306 -3.822 981 HA HIS 121 HA HIS 121 -0.677 9.754 -6.706 982 1HB HIS 121 2HB HIS 121 0.015 7.937 -4.390 983 2HB HIS 121 1HB HIS 121 0.183 7.539 -6.096 984 HD1 HIS 121 1HD HIS 121 1.490 10.244 -6.990 985 HD2 HIS 121 2HD HIS 121 2.678 7.962 -3.728 986 HE1 HIS 121 1HE HIS 121 3.887 10.874 -6.565 987 HE2 HIS 121 2HE HIS 121 4.556 9.547 -4.532 988 H GLU 122 H GLU 122 -3.067 10.316 -4.864 989 HA GLU 122 HA GLU 122 -4.611 8.083 -4.411 990 1HB GLU 122 2HB GLU 122 -5.077 10.601 -3.952 991 2HB GLU 122 1HB GLU 122 -5.851 10.575 -5.530 992 1HG GLU 122 2HG GLU 122 -6.969 8.400 -4.348 993 2HG GLU 122 1HG GLU 122 -6.749 9.480 -2.972 994 H GLN 123 H GLN 123 -3.804 9.572 -7.442 995 HA GLN 123 HA GLN 123 -5.878 8.475 -9.018 996 1HB GLN 123 2HB GLN 123 -4.488 10.344 -9.781 997 2HB GLN 123 1HB GLN 123 -3.079 9.294 -9.816 998 1HG GLN 123 2HG GLN 123 -3.567 9.019 -11.968 999 2HG GLN 123 1HG GLN 123 -4.833 7.932 -11.397 1000 1HE2 GLN 123 1HE2 GLN 123 -5.296 8.941 -13.757 1001 2HE2 GLN 123 2HE2 GLN 123 -6.462 10.215 -13.715 1002 H LEU 124 H LEU 124 -2.661 7.314 -8.135 1003 HA LEU 124 HA LEU 124 -2.705 5.019 -9.804 1004 1HB LEU 124 2HB LEU 124 -1.141 5.404 -7.253 1005 2HB LEU 124 1HB LEU 124 -0.780 4.279 -8.549 1006 HG LEU 124 HG LEU 124 -0.752 7.273 -8.909 1007 1HD1 LEU 124 1HD1 LEU 124 0.948 6.058 -7.250 1008 2HD1 LEU 124 2HD1 LEU 124 1.424 7.397 -8.295 1009 3HD1 LEU 124 3HD1 LEU 124 1.771 5.736 -8.777 1010 1HD2 LEU 124 1HD2 LEU 124 -0.928 5.402 -10.814 1011 2HD2 LEU 124 2HD2 LEU 124 0.821 5.419 -10.590 1012 3HD2 LEU 124 3HD2 LEU 124 -0.026 6.904 -11.022 1013 H LEU 125 H LEU 125 -3.630 5.609 -6.448 1014 HA LEU 125 HA LEU 125 -4.139 2.892 -5.800 1015 1HB LEU 125 2HB LEU 125 -5.129 5.458 -4.562 1016 2HB LEU 125 1HB LEU 125 -5.439 3.870 -3.889 1017 HG LEU 125 HG LEU 125 -3.635 4.712 -2.648 1018 1HD1 LEU 125 1HD1 LEU 125 -1.939 3.264 -4.577 1019 2HD1 LEU 125 2HD1 LEU 125 -3.364 2.409 -3.992 1020 3HD1 LEU 125 3HD1 LEU 125 -2.167 3.012 -2.848 1021 1HD2 LEU 125 1HD2 LEU 125 -3.171 6.553 -4.325 1022 2HD2 LEU 125 2HD2 LEU 125 -2.129 5.399 -5.156 1023 3HD2 LEU 125 3HD2 LEU 125 -1.771 5.874 -3.496 1024 H ARG 126 H ARG 126 -6.104 5.496 -7.115 1025 HA ARG 126 HA ARG 126 -8.579 4.081 -6.916 1026 1HB ARG 126 2HB ARG 126 -7.723 6.538 -8.437 1027 2HB ARG 126 1HB ARG 126 -9.351 5.884 -8.549 1028 1HG ARG 126 2HG ARG 126 -8.621 6.143 -5.796 1029 2HG ARG 126 1HG ARG 126 -8.323 7.666 -6.634 1030 1HD ARG 126 2HD ARG 126 -10.859 6.430 -7.371 1031 2HD ARG 126 1HD ARG 126 -10.746 6.803 -5.652 1032 HE ARG 126 HE ARG 126 -9.914 8.982 -7.307 1033 1HH1 ARG 126 1HH1 ARG 126 -12.698 7.375 -5.947 1034 2HH1 ARG 126 2HH1 ARG 126 -13.694 8.791 -5.996 1035 1HH2 ARG 126 1HH2 ARG 126 -11.223 10.845 -7.371 1036 2HH2 ARG 126 2HH2 ARG 126 -12.858 10.760 -6.804 1037 H LYS 127 H LYS 127 -6.190 4.590 -9.468 1038 HA LYS 127 HA LYS 127 -7.631 3.410 -11.571 1039 1HB LYS 127 2HB LYS 127 -4.949 4.376 -11.112 1040 2HB LYS 127 1HB LYS 127 -4.906 2.875 -12.026 1041 1HG LYS 127 2HG LYS 127 -5.103 4.305 -13.760 1042 2HG LYS 127 1HG LYS 127 -6.819 4.128 -13.393 1043 1HD LYS 127 2HD LYS 127 -6.154 6.142 -11.713 1044 2HD LYS 127 1HD LYS 127 -5.031 6.443 -13.040 1045 1HE LYS 127 2HE LYS 127 -8.022 6.141 -13.292 1046 2HE LYS 127 1HE LYS 127 -7.135 7.664 -13.335 1047 1HZ LYS 127 1HZ LYS 127 -6.632 5.463 -15.253 1048 2HZ LYS 127 2HZ LYS 127 -6.114 7.069 -15.358 1049 3HZ LYS 127 3HZ LYS 127 -7.753 6.696 -15.548 1050 H SER 128 H SER 128 -5.182 2.015 -9.395 1051 HA SER 128 HA SER 128 -5.323 -0.598 -10.445 1052 1HB SER 128 2HB SER 128 -3.431 0.156 -9.084 1053 2HB SER 128 1HB SER 128 -4.488 0.319 -7.682 1054 HG SER 128 HG SER 128 -3.664 -2.032 -9.009 1055 H GLU 129 H GLU 129 -7.091 1.033 -7.873 1056 HA GLU 129 HA GLU 129 -8.422 -1.305 -6.931 1057 1HB GLU 129 2HB GLU 129 -8.132 0.681 -5.521 1058 2HB GLU 129 1HB GLU 129 -9.151 1.612 -6.610 1059 1HG GLU 129 2HG GLU 129 -10.736 -0.538 -5.970 1060 2HG GLU 129 1HG GLU 129 -9.878 -0.211 -4.465 1061 H ALA 130 H ALA 130 -9.335 1.340 -9.111 1062 HA ALA 130 HA ALA 130 -11.980 0.583 -9.579 1063 1HB ALA 130 1HB ALA 130 -10.767 2.725 -10.275 1064 2HB ALA 130 2HB ALA 130 -11.965 2.065 -11.389 1065 3HB ALA 130 3HB ALA 130 -10.246 1.818 -11.695 1066 H GLN 131 H GLN 131 -8.991 -0.430 -11.175 1067 HA GLN 131 HA GLN 131 -10.235 -1.975 -13.198 1068 1HB GLN 131 2HB GLN 131 -7.457 -2.211 -12.029 1069 2HB GLN 131 1HB GLN 131 -8.001 -2.968 -13.520 1070 1HG GLN 131 2HG GLN 131 -8.408 -0.066 -13.381 1071 2HG GLN 131 1HG GLN 131 -6.725 -0.590 -13.376 1072 1HE2 GLN 131 1HE2 GLN 131 -6.362 0.284 -15.415 1073 2HE2 GLN 131 2HE2 GLN 131 -6.979 -0.450 -16.852 1074 H ALA 132 H ALA 132 -9.053 -2.723 -9.961 1075 HA ALA 132 HA ALA 132 -9.516 -5.541 -10.193 1076 1HB ALA 132 1HB ALA 132 -9.099 -3.857 -7.725 1077 2HB ALA 132 2HB ALA 132 -7.829 -4.641 -8.665 1078 3HB ALA 132 3HB ALA 132 -9.021 -5.617 -7.808 1079 H LYS 133 H LYS 133 -11.331 -2.782 -9.002 1080 HA LYS 133 HA LYS 133 -13.381 -4.290 -7.729 1081 1HB LYS 133 2HB LYS 133 -12.673 -1.689 -7.657 1082 2HB LYS 133 1HB LYS 133 -14.030 -1.596 -8.773 1083 1HG LYS 133 2HG LYS 133 -14.170 -2.877 -6.053 1084 2HG LYS 133 1HG LYS 133 -14.621 -1.205 -6.391 1085 1HD LYS 133 2HD LYS 133 -16.673 -2.052 -6.733 1086 2HD LYS 133 1HD LYS 133 -16.028 -2.541 -8.302 1087 1HE LYS 133 2HE LYS 133 -15.430 -4.724 -7.371 1088 2HE LYS 133 1HE LYS 133 -16.070 -4.234 -5.804 1089 1HZ LYS 133 1HZ LYS 133 -18.247 -3.903 -6.955 1090 2HZ LYS 133 2HZ LYS 133 -17.728 -5.511 -6.874 1091 3HZ LYS 133 3HZ LYS 133 -17.581 -4.647 -8.322 1092 H LYS 134 H LYS 134 -13.230 -2.583 -10.851 1093 HA LYS 134 HA LYS 134 -15.787 -3.321 -11.739 1094 1HB LYS 134 2HB LYS 134 -15.040 -2.658 -13.947 1095 2HB LYS 134 1HB LYS 134 -14.431 -1.520 -12.754 1096 1HG LYS 134 2HG LYS 134 -12.299 -2.992 -12.805 1097 2HG LYS 134 1HG LYS 134 -12.948 -3.567 -14.341 1098 1HD LYS 134 2HD LYS 134 -13.237 -0.937 -14.719 1099 2HD LYS 134 1HD LYS 134 -11.869 -0.908 -13.604 1100 1HE LYS 134 2HE LYS 134 -10.691 -1.115 -15.525 1101 2HE LYS 134 1HE LYS 134 -11.029 -2.827 -15.267 1102 1HZ LYS 134 1HZ LYS 134 -13.098 -2.394 -16.662 1103 2HZ LYS 134 2HZ LYS 134 -11.614 -2.442 -17.470 1104 3HZ LYS 134 3HZ LYS 134 -12.345 -0.954 -17.134 1105 H GLU 135 H GLU 135 -12.640 -4.880 -12.120 1106 HA GLU 135 HA GLU 135 -13.739 -7.030 -13.706 1107 1HB GLU 135 2HB GLU 135 -10.997 -6.704 -12.476 1108 2HB GLU 135 1HB GLU 135 -11.457 -7.953 -13.625 1109 1HG GLU 135 2HG GLU 135 -11.798 -6.334 -15.350 1110 2HG GLU 135 1HG GLU 135 -11.573 -5.006 -14.211 1111 H LYS 136 H LYS 136 -13.195 -6.377 -10.362 1112 HA LYS 136 HA LYS 136 -13.615 -7.570 -8.471 1113 1HB LYS 136 2HB LYS 136 -15.006 -9.528 -10.308 1114 2HB LYS 136 1HB LYS 136 -15.223 -9.388 -8.569 1115 1HG LYS 136 2HG LYS 136 -15.721 -6.904 -10.023 1116 2HG LYS 136 1HG LYS 136 -16.804 -8.227 -10.462 1117 1HD LYS 136 2HD LYS 136 -16.845 -8.474 -7.787 1118 2HD LYS 136 1HD LYS 136 -16.547 -6.739 -7.920 1119 1HE LYS 136 2HE LYS 136 -18.593 -6.319 -8.798 1120 2HE LYS 136 1HE LYS 136 -18.652 -7.850 -9.670 1121 1HZ LYS 136 1HZ LYS 136 -19.025 -8.934 -7.471 1122 2HZ LYS 136 2HZ LYS 136 -20.285 -7.926 -7.975 1123 3HZ LYS 136 3HZ LYS 136 -19.201 -7.395 -6.792 1124 H LEU 137 H LEU 137 -11.159 -7.861 -8.962 1125 HA LEU 137 HA LEU 137 -10.149 -10.338 -9.794 1126 1HB LEU 137 2HB LEU 137 -9.108 -8.034 -8.241 1127 2HB LEU 137 1HB LEU 137 -8.223 -9.542 -8.116 1128 HG LEU 137 HG LEU 137 -8.897 -8.433 -10.815 1129 1HD1 LEU 137 1HD1 LEU 137 -6.600 -7.591 -9.056 1130 2HD1 LEU 137 2HD1 LEU 137 -7.880 -6.565 -9.704 1131 3HD1 LEU 137 3HD1 LEU 137 -6.696 -7.290 -10.791 1132 1HD2 LEU 137 1HD2 LEU 137 -7.855 -10.766 -10.208 1133 2HD2 LEU 137 2HD2 LEU 137 -6.373 -9.822 -10.061 1134 3HD2 LEU 137 3HD2 LEU 137 -7.260 -9.839 -11.585 1135 H ASN 138 H ASN 138 -9.920 -9.211 -6.429 1136 HA ASN 138 HA ASN 138 -10.911 -11.820 -5.531 1137 1HB ASN 138 2HB ASN 138 -8.255 -10.580 -4.910 1138 2HB ASN 138 1HB ASN 138 -9.030 -11.621 -3.721 1139 1HD2 ASN 138 1HD2 ASN 138 -10.121 -13.590 -5.135 1140 2HD2 ASN 138 2HD2 ASN 138 -8.925 -14.460 -6.028 1141 H ILE 139 H ILE 139 -9.394 -9.158 -3.736 1142 HA ILE 139 HA ILE 139 -11.139 -9.104 -1.619 1143 HB ILE 139 HB ILE 139 -10.496 -6.703 -1.310 1144 1HG1 ILE 139 2HG1 ILE 139 -8.963 -7.187 -3.876 1145 2HG1 ILE 139 1HG1 ILE 139 -10.314 -6.077 -3.675 1146 1HG2 ILE 139 1HG2 ILE 139 -8.123 -8.435 -1.940 1147 2HG2 ILE 139 2HG2 ILE 139 -9.162 -8.705 -0.541 1148 3HG2 ILE 139 3HG2 ILE 139 -8.269 -7.192 -0.699 1149 1HD1 ILE 139 1HD1 ILE 139 -7.500 -5.828 -2.753 1150 2HD1 ILE 139 2HD1 ILE 139 -8.776 -5.031 -1.832 1151 3HD1 ILE 139 3HD1 ILE 139 -8.544 -4.643 -3.537 1152 H TRP 140 H TRP 140 -11.523 -7.609 -4.770 1153 HA TRP 140 HA TRP 140 -14.051 -6.390 -3.938 1154 1HB TRP 140 2HB TRP 140 -12.584 -6.153 -6.573 1155 2HB TRP 140 1HB TRP 140 -14.000 -5.228 -6.085 1156 HD1 TRP 140 HD TRP 140 -10.642 -4.492 -6.620 1157 HE1 TRP 140 1HE TRP 140 -9.688 -2.729 -5.008 1158 HE3 TRP 140 3HE TRP 140 -14.219 -4.707 -2.969 1159 HZ2 TRP 140 2HZ TRP 140 -10.361 -1.581 -2.519 1160 HZ3 TRP 140 3HZ TRP 140 -13.987 -3.243 -1.007 1161 HH2 TRP 140 HH TRP 140 -12.098 -1.712 -0.788 1162 H SER 141 H SER 141 -13.706 -9.301 -4.248 1163 HA SER 141 HA SER 141 -15.488 -9.813 -6.528 1164 1HB SER 141 2HB SER 141 -13.175 -11.078 -5.942 1165 2HB SER 141 1HB SER 141 -14.307 -12.096 -5.052 1166 HG SER 141 HG SER 141 -15.512 -12.255 -7.043 1167 H GLU 142 H GLU 142 -16.346 -8.702 -3.956 1168 HA GLU 142 HA GLU 142 -18.671 -10.233 -3.567 1169 1HB GLU 142 2HB GLU 142 -18.156 -10.834 -1.126 1170 2HB GLU 142 1HB GLU 142 -17.471 -11.857 -2.381 1171 1HG GLU 142 2HG GLU 142 -15.729 -9.654 -1.622 1172 2HG GLU 142 1HG GLU 142 -16.107 -10.738 -0.285 1173 H ASP 143 H ASP 143 -17.954 -7.527 -3.996 1174 HA ASP 143 HA ASP 143 -18.526 -6.179 -1.469 1175 1HB ASP 143 2HB ASP 143 -16.722 -5.368 -3.052 1176 2HB ASP 143 1HB ASP 143 -18.010 -4.898 -4.156 1177 H ASN 144 H ASN 144 -20.476 -5.423 -0.949 1178 HA ASN 144 HA ASN 144 -22.363 -4.385 -2.747 1179 1HB ASN 144 2HB ASN 144 -24.101 -6.223 -2.465 1180 2HB ASN 144 1HB ASN 144 -22.775 -6.572 -3.569 1181 1HD2 ASN 144 1HD2 ASN 144 -21.291 -8.138 -3.050 1182 2HD2 ASN 144 2HD2 ASN 144 -21.509 -9.239 -1.735 1183 H ALA 145 H ALA 145 -24.496 -3.986 -1.684 1184 HA ALA 145 HA ALA 145 -24.060 -3.100 1.005 1185 1HB ALA 145 1HB ALA 145 -25.441 -1.942 -0.811 1186 2HB ALA 145 2HB ALA 145 -26.101 -1.972 0.825 1187 3HB ALA 145 3HB ALA 145 -26.714 -3.090 -0.394 1188 H ASP 146 H ASP 146 -26.218 -5.484 -0.514 1189 HA ASP 146 HA ASP 146 -26.637 -6.671 2.150 1190 1HB ASP 146 2HB ASP 146 -28.472 -6.245 -0.157 1191 2HB ASP 146 1HB ASP 146 -28.691 -7.708 0.801 1192 H SER 147 H SER 147 -26.518 -8.906 2.372 1193 HA SER 147 HA SER 147 -25.036 -10.249 0.228 1194 1HB SER 147 2HB SER 147 -25.401 -11.150 3.094 1195 2HB SER 147 1HB SER 147 -24.264 -11.800 1.912 1196 HG SER 147 HG SER 147 -23.020 -10.406 2.956 1197 H GLY 148 H GLY 148 -27.899 -10.558 2.257 1198 1HA GLY 148 2HA GLY 148 -29.124 -12.286 0.290 1199 2HA GLY 148 1HA GLY 148 -28.788 -13.075 1.823 1200 H GLN 149 H GLN 149 -31.113 -13.383 1.928 1201 HA GLN 149 HA GLN 149 -33.174 -12.897 2.757 1202 1HB GLN 149 2HB GLN 149 -31.327 -11.145 4.211 1203 2HB GLN 149 1HB GLN 149 -32.980 -10.549 4.178 1204 1HG GLN 149 2HG GLN 149 -32.747 -11.844 6.137 1205 2HG GLN 149 1HG GLN 149 -33.713 -12.791 5.008 1206 1HE2 GLN 149 1HE2 GLN 149 -32.806 -14.615 4.039 1207 2HE2 GLN 149 2HE2 GLN 149 -31.392 -15.378 4.673 Start of MODEL 18 1 1H ALA 1 1HT ALA 1 17.341 23.504 -3.484 2 2H ALA 1 2HT ALA 1 17.946 22.434 -4.683 3 3H ALA 1 3HT ALA 1 16.921 21.843 -3.440 4 HA ALA 1 HA ALA 1 16.292 23.462 -5.781 5 1HB ALA 1 1HB ALA 1 16.043 20.830 -5.291 6 2HB ALA 1 2HB ALA 1 14.968 21.729 -6.363 7 3HB ALA 1 3HB ALA 1 14.482 21.400 -4.699 8 H THR 2 H THR 2 15.503 22.996 -2.409 9 HA THR 2 HA THR 2 14.120 24.103 -0.984 10 HB THR 2 HB THR 2 13.660 26.313 -2.926 11 HG1 THR 2 1HG THR 2 15.761 27.047 -2.679 12 1HG2 THR 2 1HG2 THR 2 14.888 27.030 -0.433 13 2HG2 THR 2 2HG2 THR 2 13.458 26.034 -0.165 14 3HG2 THR 2 3HG2 THR 2 13.333 27.520 -1.106 15 H SER 3 H SER 3 13.007 22.254 -2.929 16 HA SER 3 HA SER 3 10.227 23.113 -2.733 17 1HB SER 3 2HB SER 3 10.926 21.828 -5.313 18 2HB SER 3 1HB SER 3 9.737 23.082 -4.962 19 HG SER 3 HG SER 3 12.465 23.313 -5.530 20 H THR 4 H THR 4 12.297 20.492 -3.991 21 HA THR 4 HA THR 4 12.227 18.236 -3.722 22 HB THR 4 HB THR 4 10.519 18.466 -1.288 23 HG1 THR 4 1HG THR 4 11.876 19.681 -0.248 24 1HG2 THR 4 1HG2 THR 4 12.876 16.850 -2.130 25 2HG2 THR 4 2HG2 THR 4 11.327 16.323 -1.474 26 3HG2 THR 4 3HG2 THR 4 12.522 17.076 -0.418 27 H LYS 5 H LYS 5 11.050 17.265 -5.243 28 HA LYS 5 HA LYS 5 8.261 17.684 -5.598 29 1HB LYS 5 2HB LYS 5 10.219 16.797 -7.219 30 2HB LYS 5 1HB LYS 5 9.511 15.256 -6.753 31 1HG LYS 5 2HG LYS 5 8.478 15.955 -8.776 32 2HG LYS 5 1HG LYS 5 7.295 16.135 -7.480 33 1HD LYS 5 2HD LYS 5 7.024 18.148 -8.528 34 2HD LYS 5 1HD LYS 5 8.301 18.579 -7.387 35 1HE LYS 5 2HE LYS 5 9.982 18.280 -9.093 36 2HE LYS 5 1HE LYS 5 8.768 17.702 -10.234 37 1HZ LYS 5 1HZ LYS 5 8.331 20.335 -9.059 38 2HZ LYS 5 2HZ LYS 5 8.014 19.784 -10.626 39 3HZ LYS 5 3HZ LYS 5 9.591 20.204 -10.180 40 H LYS 6 H LYS 6 10.181 15.258 -3.956 41 HA LYS 6 HA LYS 6 9.636 13.547 -2.561 42 1HB LYS 6 2HB LYS 6 8.176 15.582 -1.696 43 2HB LYS 6 1HB LYS 6 6.850 14.569 -2.248 44 1HG LYS 6 2HG LYS 6 7.204 12.986 -0.641 45 2HG LYS 6 1HG LYS 6 8.925 13.350 -0.505 46 1HD LYS 6 2HD LYS 6 8.009 15.657 0.394 47 2HD LYS 6 1HD LYS 6 6.588 14.682 0.772 48 1HE LYS 6 2HE LYS 6 7.686 14.270 2.691 49 2HE LYS 6 1HE LYS 6 8.553 13.085 1.715 50 1HZ LYS 6 1HZ LYS 6 10.240 14.810 1.277 51 2HZ LYS 6 2HZ LYS 6 10.119 14.414 2.916 52 3HZ LYS 6 3HZ LYS 6 9.435 15.849 2.341 53 H LEU 7 H LEU 7 9.724 12.188 -4.495 54 HA LEU 7 HA LEU 7 7.253 10.701 -4.794 55 1HB LEU 7 2HB LEU 7 7.285 12.514 -6.565 56 2HB LEU 7 1HB LEU 7 8.672 11.695 -7.258 57 HG LEU 7 HG LEU 7 6.990 9.621 -7.187 58 1HD1 LEU 7 1HD1 LEU 7 5.309 12.036 -6.926 59 2HD1 LEU 7 2HD1 LEU 7 5.004 10.376 -6.416 60 3HD1 LEU 7 3HD1 LEU 7 4.794 10.833 -8.107 61 1HD2 LEU 7 1HD2 LEU 7 8.052 10.222 -9.196 62 2HD2 LEU 7 2HD2 LEU 7 7.248 11.791 -9.250 63 3HD2 LEU 7 3HD2 LEU 7 6.326 10.316 -9.542 64 H HIS 8 H HIS 8 9.995 10.319 -3.715 65 HA HIS 8 HA HIS 8 10.736 7.971 -5.334 66 1HB HIS 8 2HB HIS 8 13.073 8.317 -4.558 67 2HB HIS 8 1HB HIS 8 12.476 9.638 -5.556 68 HD1 HIS 8 1HD HIS 8 12.684 11.927 -4.599 69 HD2 HIS 8 2HD HIS 8 13.050 8.974 -1.700 70 HE1 HIS 8 1HE HIS 8 13.323 13.134 -2.486 71 HE2 HIS 8 2HE HIS 8 13.619 11.317 -0.766 72 H LYS 9 H LYS 9 11.449 6.123 -4.209 73 HA LYS 9 HA LYS 9 10.360 5.932 -1.507 74 1HB LYS 9 2HB LYS 9 10.519 3.514 -1.816 75 2HB LYS 9 1HB LYS 9 9.667 4.257 -3.162 76 1HG LYS 9 2HG LYS 9 12.184 4.266 -4.127 77 2HG LYS 9 1HG LYS 9 12.234 2.828 -3.106 78 1HD LYS 9 2HD LYS 9 10.346 1.880 -4.260 79 2HD LYS 9 1HD LYS 9 10.121 3.363 -5.191 80 1HE LYS 9 2HE LYS 9 12.619 1.681 -5.298 81 2HE LYS 9 1HE LYS 9 11.267 1.493 -6.414 82 1HZ LYS 9 1HZ LYS 9 13.340 3.086 -6.876 83 2HZ LYS 9 2HZ LYS 9 12.305 4.190 -6.120 84 3HZ LYS 9 3HZ LYS 9 11.796 3.370 -7.509 85 H GLU 10 H GLU 10 11.538 5.131 0.256 86 HA GLU 10 HA GLU 10 14.247 4.345 0.113 87 1HB GLU 10 2HB GLU 10 14.254 6.910 -0.351 88 2HB GLU 10 1HB GLU 10 13.959 7.051 1.376 89 1HG GLU 10 2HG GLU 10 16.022 5.442 1.540 90 2HG GLU 10 1HG GLU 10 16.372 6.081 -0.065 91 H ALA 11 H ALA 11 14.653 3.170 1.871 92 HA ALA 11 HA ALA 11 13.578 3.919 4.450 93 1HB ALA 11 1HB ALA 11 12.787 1.300 3.180 94 2HB ALA 11 2HB ALA 11 11.721 2.661 3.523 95 3HB ALA 11 3HB ALA 11 12.467 1.769 4.848 96 H ALA 12 H ALA 12 14.417 0.587 3.737 97 HA ALA 12 HA ALA 12 17.141 0.547 3.950 98 1HB ALA 12 1HB ALA 12 16.750 -0.117 6.675 99 2HB ALA 12 2HB ALA 12 16.026 1.466 6.404 100 3HB ALA 12 3HB ALA 12 17.717 1.190 5.994 101 H THR 13 H THR 13 15.048 -1.097 6.305 102 HA THR 13 HA THR 13 14.971 -3.488 4.651 103 HB THR 13 HB THR 13 16.362 -3.408 7.334 104 HG1 THR 13 1HG THR 13 17.858 -2.986 5.848 105 1HG2 THR 13 1HG2 THR 13 16.702 -5.787 7.147 106 2HG2 THR 13 2HG2 THR 13 15.761 -5.832 5.656 107 3HG2 THR 13 3HG2 THR 13 14.977 -5.425 7.182 108 H LEU 14 H LEU 14 13.349 -4.928 5.218 109 HA LEU 14 HA LEU 14 11.371 -3.851 7.087 110 1HB LEU 14 2HB LEU 14 10.536 -4.257 4.869 111 2HB LEU 14 1HB LEU 14 11.171 -5.890 4.875 112 HG LEU 14 HG LEU 14 8.616 -5.437 5.258 113 1HD1 LEU 14 1HD1 LEU 14 10.028 -7.381 7.065 114 2HD1 LEU 14 2HD1 LEU 14 9.866 -7.617 5.325 115 3HD1 LEU 14 3HD1 LEU 14 8.428 -7.532 6.341 116 1HD2 LEU 14 1HD2 LEU 14 9.342 -3.935 7.281 117 2HD2 LEU 14 2HD2 LEU 14 9.397 -5.480 8.127 118 3HD2 LEU 14 3HD2 LEU 14 7.897 -4.942 7.375 119 H ILE 15 H ILE 15 11.329 -4.663 9.078 120 HA ILE 15 HA ILE 15 12.733 -7.006 9.830 121 HB ILE 15 HB ILE 15 10.640 -5.432 11.338 122 1HG1 ILE 15 2HG1 ILE 15 13.003 -4.981 12.594 123 2HG1 ILE 15 1HG1 ILE 15 13.559 -5.178 10.936 124 1HG2 ILE 15 1HG2 ILE 15 11.551 -6.552 13.353 125 2HG2 ILE 15 2HG2 ILE 15 12.496 -7.605 12.299 126 3HG2 ILE 15 3HG2 ILE 15 10.733 -7.659 12.248 127 1HD1 ILE 15 1HD1 ILE 15 13.018 -2.826 11.726 128 2HD1 ILE 15 2HD1 ILE 15 11.324 -3.313 11.640 129 3HD1 ILE 15 3HD1 ILE 15 12.325 -3.344 10.188 130 H LYS 16 H LYS 16 9.221 -6.339 9.845 131 HA LYS 16 HA LYS 16 8.480 -8.736 8.604 132 1HB LYS 16 2HB LYS 16 9.274 -9.129 11.278 133 2HB LYS 16 1HB LYS 16 7.519 -9.221 11.280 134 1HG LYS 16 2HG LYS 16 8.052 -10.763 9.147 135 2HG LYS 16 1HG LYS 16 9.513 -11.039 10.099 136 1HD LYS 16 2HD LYS 16 8.201 -12.659 11.008 137 2HD LYS 16 1HD LYS 16 7.712 -11.316 12.042 138 1HE LYS 16 2HE LYS 16 6.171 -11.435 9.583 139 2HE LYS 16 1HE LYS 16 6.046 -12.922 10.522 140 1HZ LYS 16 1HZ LYS 16 4.493 -10.846 10.953 141 2HZ LYS 16 2HZ LYS 16 5.769 -10.404 11.971 142 3HZ LYS 16 3HZ LYS 16 4.975 -11.879 12.203 143 H ALA 17 H ALA 17 6.282 -8.833 8.208 144 HA ALA 17 HA ALA 17 4.837 -6.399 8.691 145 1HB ALA 17 1HB ALA 17 4.682 -7.630 6.555 146 2HB ALA 17 2HB ALA 17 3.108 -7.344 7.300 147 3HB ALA 17 3HB ALA 17 3.854 -8.939 7.399 148 H ILE 18 H ILE 18 2.845 -6.185 9.766 149 HA ILE 18 HA ILE 18 2.449 -8.157 11.914 150 HB ILE 18 HB ILE 18 1.513 -5.290 11.912 151 1HG1 ILE 18 2HG1 ILE 18 3.982 -5.415 11.782 152 2HG1 ILE 18 1HG1 ILE 18 3.428 -4.775 13.326 153 1HG2 ILE 18 1HG2 ILE 18 0.238 -6.482 13.461 154 2HG2 ILE 18 2HG2 ILE 18 1.535 -5.779 14.429 155 3HG2 ILE 18 3HG2 ILE 18 1.606 -7.478 13.960 156 1HD1 ILE 18 1HD1 ILE 18 3.767 -7.008 14.322 157 2HD1 ILE 18 2HD1 ILE 18 5.249 -6.292 13.689 158 3HD1 ILE 18 3HD1 ILE 18 4.425 -7.560 12.782 159 H ASP 19 H ASP 19 0.688 -6.032 9.664 160 HA ASP 19 HA ASP 19 -1.402 -8.006 9.422 161 1HB ASP 19 2HB ASP 19 -1.807 -6.329 11.462 162 2HB ASP 19 1HB ASP 19 -2.446 -5.323 10.165 163 H GLY 20 H GLY 20 -0.251 -7.753 7.297 164 1HA GLY 20 2HA GLY 20 -0.344 -7.126 5.094 165 2HA GLY 20 1HA GLY 20 -1.911 -6.427 5.465 166 H ASP 21 H ASP 21 -1.919 -4.230 6.382 167 HA ASP 21 HA ASP 21 -0.083 -2.558 4.925 168 1HB ASP 21 2HB ASP 21 -2.542 -2.086 6.572 169 2HB ASP 21 1HB ASP 21 -1.490 -0.733 6.170 170 H THR 22 H THR 22 -0.561 -3.585 8.220 171 HA THR 22 HA THR 22 1.337 -1.638 9.235 172 HB THR 22 HB THR 22 -0.067 -3.887 10.690 173 HG1 THR 22 1HG THR 22 -1.645 -2.496 11.114 174 1HG2 THR 22 1HG2 THR 22 0.698 -3.097 12.657 175 2HG2 THR 22 2HG2 THR 22 0.786 -1.432 12.084 176 3HG2 THR 22 3HG2 THR 22 2.047 -2.583 11.646 177 H VAL 23 H VAL 23 3.439 -2.029 8.983 178 HA VAL 23 HA VAL 23 4.451 -4.703 9.600 179 HB VAL 23 HB VAL 23 5.917 -4.735 7.649 180 1HG1 VAL 23 1HG1 VAL 23 3.314 -4.247 6.348 181 2HG1 VAL 23 2HG1 VAL 23 3.315 -5.402 7.681 182 3HG1 VAL 23 3HG1 VAL 23 4.368 -5.660 6.290 183 1HG2 VAL 23 1HG2 VAL 23 5.754 -3.123 5.874 184 2HG2 VAL 23 2HG2 VAL 23 6.066 -2.266 7.383 185 3HG2 VAL 23 3HG2 VAL 23 4.441 -2.282 6.698 186 H LYS 24 H LYS 24 6.517 -4.751 10.455 187 HA LYS 24 HA LYS 24 7.502 -2.205 11.441 188 1HB LYS 24 2HB LYS 24 7.952 -5.072 12.096 189 2HB LYS 24 1HB LYS 24 9.261 -3.953 12.449 190 1HG LYS 24 2HG LYS 24 7.169 -2.612 13.507 191 2HG LYS 24 1HG LYS 24 6.650 -4.281 13.750 192 1HD LYS 24 2HD LYS 24 7.877 -4.119 15.635 193 2HD LYS 24 1HD LYS 24 9.228 -4.444 14.547 194 1HE LYS 24 2HE LYS 24 10.069 -2.562 15.462 195 2HE LYS 24 1HE LYS 24 9.034 -1.773 14.273 196 1HZ LYS 24 1HZ LYS 24 7.322 -2.083 16.281 197 2HZ LYS 24 2HZ LYS 24 8.284 -0.705 16.090 198 3HZ LYS 24 3HZ LYS 24 8.759 -1.925 17.160 199 H LEU 25 H LEU 25 8.697 -1.069 10.049 200 HA LEU 25 HA LEU 25 10.725 -2.487 8.452 201 1HB LEU 25 2HB LEU 25 8.758 -0.867 7.545 202 2HB LEU 25 1HB LEU 25 10.040 0.306 7.783 203 HG LEU 25 HG LEU 25 10.713 -2.170 6.281 204 1HD1 LEU 25 1HD1 LEU 25 9.922 -0.561 4.260 205 2HD1 LEU 25 2HD1 LEU 25 8.671 -0.225 5.456 206 3HD1 LEU 25 3HD1 LEU 25 8.952 -1.880 4.916 207 1HD2 LEU 25 1HD2 LEU 25 11.518 0.720 6.258 208 2HD2 LEU 25 2HD2 LEU 25 11.940 -0.370 4.937 209 3HD2 LEU 25 3HD2 LEU 25 12.510 -0.704 6.572 210 H MET 26 H MET 26 12.811 -2.053 8.744 211 HA MET 26 HA MET 26 13.597 -0.303 10.889 212 1HB MET 26 2HB MET 26 14.608 -2.628 10.011 213 2HB MET 26 1HB MET 26 15.640 -1.523 9.115 214 1HG MET 26 2HG MET 26 15.910 -0.392 11.473 215 2HG MET 26 1HG MET 26 15.450 -1.996 12.041 216 1HE MET 26 1HE MET 26 17.567 -4.390 10.840 217 2HE MET 26 2HE MET 26 16.524 -3.803 12.136 218 3HE MET 26 3HE MET 26 18.274 -3.822 12.352 219 H TYR 27 H TYR 27 13.397 1.811 10.382 220 HA TYR 27 HA TYR 27 14.607 2.755 7.876 221 1HB TYR 27 2HB TYR 27 12.257 3.380 8.207 222 2HB TYR 27 1HB TYR 27 12.668 4.147 9.737 223 HD1 TYR 27 2HD TYR 27 14.058 6.213 9.742 224 HD2 TYR 27 1HD TYR 27 12.590 4.501 6.134 225 HE1 TYR 27 2HE TYR 27 14.490 8.331 8.567 226 HE2 TYR 27 1HE TYR 27 13.019 6.613 4.949 227 HH TYR 27 HH TYR 27 13.770 9.520 6.588 228 H LYS 28 H LYS 28 16.188 4.299 7.867 229 HA LYS 28 HA LYS 28 18.129 5.227 8.616 230 1HB LYS 28 2HB LYS 28 17.798 7.149 9.882 231 2HB LYS 28 1HB LYS 28 16.221 6.869 9.164 232 1HG LYS 28 2HG LYS 28 15.304 6.901 11.174 233 2HG LYS 28 1HG LYS 28 16.278 5.511 11.650 234 1HD LYS 28 2HD LYS 28 18.148 7.300 11.992 235 2HD LYS 28 1HD LYS 28 16.786 8.421 12.082 236 1HE LYS 28 2HE LYS 28 16.012 7.537 14.043 237 2HE LYS 28 1HE LYS 28 16.651 5.930 13.696 238 1HZ LYS 28 1HZ LYS 28 17.747 7.421 15.503 239 2HZ LYS 28 2HZ LYS 28 18.529 8.134 14.184 240 3HZ LYS 28 3HZ LYS 28 18.714 6.480 14.481 241 H GLY 29 H GLY 29 17.519 2.583 9.771 242 1HA GLY 29 2HA GLY 29 18.887 1.250 11.116 243 2HA GLY 29 1HA GLY 29 19.503 2.700 11.889 244 H GLN 30 H GLN 30 16.068 2.413 11.681 245 HA GLN 30 HA GLN 30 15.936 1.284 14.381 246 1HB GLN 30 2HB GLN 30 14.472 3.019 15.187 247 2HB GLN 30 1HB GLN 30 15.952 3.755 14.589 248 1HG GLN 30 2HG GLN 30 14.904 4.694 12.762 249 2HG GLN 30 1HG GLN 30 13.567 3.547 12.807 250 1HE2 GLN 30 1HE2 GLN 30 15.056 5.903 15.009 251 2HE2 GLN 30 2HE2 GLN 30 13.572 6.633 15.505 252 H ALA 31 H ALA 31 14.298 -0.092 14.694 253 HA ALA 31 HA ALA 31 12.617 -0.764 12.454 254 1HB ALA 31 1HB ALA 31 11.989 -2.685 13.686 255 2HB ALA 31 2HB ALA 31 12.510 -1.965 15.209 256 3HB ALA 31 3HB ALA 31 13.705 -2.433 14.000 257 H MET 32 H MET 32 11.028 0.691 12.092 258 HA MET 32 HA MET 32 9.243 1.332 14.347 259 1HB MET 32 2HB MET 32 8.645 3.380 13.185 260 2HB MET 32 1HB MET 32 10.388 3.299 13.393 261 1HG MET 32 2HG MET 32 10.598 2.516 11.065 262 2HG MET 32 1HG MET 32 8.856 2.703 10.873 263 1HE MET 32 1HE MET 32 8.245 6.417 10.620 264 2HE MET 32 2HE MET 32 7.741 5.143 11.730 265 3HE MET 32 3HE MET 32 7.788 4.832 9.994 266 H THR 33 H THR 33 6.990 1.319 13.978 267 HA THR 33 HA THR 33 6.151 -0.693 12.096 268 HB THR 33 HB THR 33 4.411 0.996 13.896 269 HG1 THR 33 1HG THR 33 5.002 -0.202 15.519 270 1HG2 THR 33 1HG2 THR 33 2.991 -0.188 12.479 271 2HG2 THR 33 2HG2 THR 33 3.079 -1.172 13.940 272 3HG2 THR 33 3HG2 THR 33 4.009 -1.629 12.513 273 H PHE 34 H PHE 34 5.763 -0.229 10.041 274 HA PHE 34 HA PHE 34 4.924 2.468 9.292 275 1HB PHE 34 2HB PHE 34 6.206 0.184 7.867 276 2HB PHE 34 1HB PHE 34 5.231 1.303 6.920 277 HD1 PHE 34 2HD PHE 34 8.198 0.997 9.076 278 HD2 PHE 34 1HD PHE 34 6.002 3.487 6.415 279 HE1 PHE 34 2HE PHE 34 10.104 2.548 8.963 280 HE2 PHE 34 1HE PHE 34 7.904 5.044 6.296 281 HZ PHE 34 HZ PHE 34 9.957 4.576 7.571 282 H ARG 35 H ARG 35 3.196 2.760 7.730 283 HA ARG 35 HA ARG 35 1.232 0.594 7.631 284 1HB ARG 35 2HB ARG 35 0.977 3.070 9.140 285 2HB ARG 35 1HB ARG 35 -0.328 2.868 7.978 286 1HG ARG 35 2HG ARG 35 0.419 0.602 9.771 287 2HG ARG 35 1HG ARG 35 -0.569 1.929 10.387 288 1HD ARG 35 2HD ARG 35 -2.081 1.550 8.392 289 2HD ARG 35 1HD ARG 35 -1.181 0.060 8.109 290 HE ARG 35 HE ARG 35 -2.262 -0.899 9.888 291 1HH1 ARG 35 1HH1 ARG 35 -2.771 2.553 9.972 292 2HH1 ARG 35 2HH1 ARG 35 -3.954 2.474 11.233 293 1HH2 ARG 35 1HH2 ARG 35 -3.820 -1.005 11.546 294 2HH2 ARG 35 2HH2 ARG 35 -4.550 0.455 12.128 295 H LEU 36 H LEU 36 0.569 0.299 5.618 296 HA LEU 36 HA LEU 36 1.348 1.876 3.454 297 1HB LEU 36 2HB LEU 36 -0.073 -0.528 3.874 298 2HB LEU 36 1HB LEU 36 -1.076 0.471 2.841 299 HG LEU 36 HG LEU 36 1.820 -0.078 2.229 300 1HD1 LEU 36 1HD1 LEU 36 -0.594 -1.601 1.258 301 2HD1 LEU 36 2HD1 LEU 36 0.635 -2.210 2.366 302 3HD1 LEU 36 3HD1 LEU 36 1.066 -1.818 0.701 303 1HD2 LEU 36 1HD2 LEU 36 1.491 1.052 0.319 304 2HD2 LEU 36 2HD2 LEU 36 0.133 1.772 1.183 305 3HD2 LEU 36 3HD2 LEU 36 -0.136 0.408 0.099 306 H LEU 37 H LEU 37 0.716 3.830 2.858 307 HA LEU 37 HA LEU 37 -1.654 5.032 3.960 308 1HB LEU 37 2HB LEU 37 0.740 5.919 2.537 309 2HB LEU 37 1HB LEU 37 -0.706 6.785 2.055 310 HG LEU 37 HG LEU 37 0.330 6.542 4.879 311 1HD1 LEU 37 1HD1 LEU 37 1.333 8.551 4.657 312 2HD1 LEU 37 2HD1 LEU 37 0.131 9.149 3.515 313 3HD1 LEU 37 3HD1 LEU 37 1.412 8.071 2.962 314 1HD2 LEU 37 1HD2 LEU 37 -1.550 7.510 5.631 315 2HD2 LEU 37 2HD2 LEU 37 -2.263 6.905 4.137 316 3HD2 LEU 37 3HD2 LEU 37 -1.685 8.568 4.228 317 H LEU 38 H LEU 38 -3.507 5.642 2.910 318 HA LEU 38 HA LEU 38 -5.231 5.466 1.439 319 1HB LEU 38 2HB LEU 38 -2.864 5.922 -0.332 320 2HB LEU 38 1HB LEU 38 -4.436 5.613 -1.048 321 HG LEU 38 HG LEU 38 -3.717 7.899 0.787 322 1HD1 LEU 38 1HD1 LEU 38 -4.061 9.299 -1.114 323 2HD1 LEU 38 2HD1 LEU 38 -4.617 7.937 -2.085 324 3HD1 LEU 38 3HD1 LEU 38 -2.931 8.027 -1.577 325 1HD2 LEU 38 1HD2 LEU 38 -5.925 7.401 1.358 326 2HD2 LEU 38 2HD2 LEU 38 -6.349 6.955 -0.295 327 3HD2 LEU 38 3HD2 LEU 38 -6.076 8.647 0.120 328 H VAL 39 H VAL 39 -3.810 2.987 2.314 329 HA VAL 39 HA VAL 39 -4.976 1.220 0.288 330 HB VAL 39 HB VAL 39 -2.291 0.678 1.548 331 1HG1 VAL 39 1HG1 VAL 39 -2.549 -1.396 0.815 332 2HG1 VAL 39 2HG1 VAL 39 -2.765 -0.799 -0.831 333 3HG1 VAL 39 3HG1 VAL 39 -4.162 -0.989 0.229 334 1HG2 VAL 39 1HG2 VAL 39 -2.997 2.245 -0.801 335 2HG2 VAL 39 2HG2 VAL 39 -1.868 0.938 -1.156 336 3HG2 VAL 39 3HG2 VAL 39 -1.470 2.138 0.073 337 H ASP 40 H ASP 40 -5.874 -0.658 1.084 338 HA ASP 40 HA ASP 40 -5.819 -0.997 4.008 339 1HB ASP 40 2HB ASP 40 -8.041 -0.362 2.368 340 2HB ASP 40 1HB ASP 40 -8.254 -2.030 2.890 341 H THR 41 H THR 41 -4.672 -2.782 4.389 342 HA THR 41 HA THR 41 -5.166 -5.138 2.688 343 HB THR 41 HB THR 41 -2.653 -4.644 4.281 344 HG1 THR 41 1HG THR 41 -1.790 -3.656 2.574 345 1HG2 THR 41 1HG2 THR 41 -2.654 -6.880 3.684 346 2HG2 THR 41 2HG2 THR 41 -1.739 -6.115 2.386 347 3HG2 THR 41 3HG2 THR 41 -3.424 -6.568 2.130 348 H ALA 42 H ALA 42 -6.905 -5.791 4.025 349 HA ALA 42 HA ALA 42 -7.821 -7.140 5.617 350 1HB ALA 42 1HB ALA 42 -5.206 -7.652 6.939 351 2HB ALA 42 2HB ALA 42 -5.455 -8.256 5.302 352 3HB ALA 42 3HB ALA 42 -6.539 -8.756 6.600 353 H GLU 43 H GLU 43 -8.180 -7.290 7.995 354 HA GLU 43 HA GLU 43 -7.069 -5.446 9.804 355 1HB GLU 43 2HB GLU 43 -8.243 -3.821 8.338 356 2HB GLU 43 1HB GLU 43 -9.762 -4.627 8.701 357 1HG GLU 43 2HG GLU 43 -9.744 -3.916 10.926 358 2HG GLU 43 1HG GLU 43 -8.031 -3.501 10.870 359 H THR 44 H THR 44 -7.468 -8.018 10.177 360 HA THR 44 HA THR 44 -9.975 -8.814 11.184 361 HB THR 44 HB THR 44 -8.733 -10.678 12.232 362 HG1 THR 44 1HG THR 44 -6.501 -10.732 12.075 363 1HG2 THR 44 1HG2 THR 44 -7.322 -10.484 9.662 364 2HG2 THR 44 2HG2 THR 44 -9.078 -10.342 9.592 365 3HG2 THR 44 3HG2 THR 44 -8.336 -11.770 10.313 366 H LYS 45 H LYS 45 -10.890 -7.503 12.676 367 HA LYS 45 HA LYS 45 -9.603 -7.406 15.301 368 1HB LYS 45 2HB LYS 45 -10.166 -5.027 15.568 369 2HB LYS 45 1HB LYS 45 -9.020 -5.284 14.259 370 1HG LYS 45 2HG LYS 45 -10.358 -4.166 12.900 371 2HG LYS 45 1HG LYS 45 -11.590 -5.413 13.117 372 1HD LYS 45 2HD LYS 45 -12.709 -3.487 13.755 373 2HD LYS 45 1HD LYS 45 -12.148 -4.130 15.300 374 1HE LYS 45 2HE LYS 45 -10.226 -2.613 15.226 375 2HE LYS 45 1HE LYS 45 -10.796 -1.967 13.688 376 1HZ LYS 45 1HZ LYS 45 -11.373 -0.620 15.693 377 2HZ LYS 45 2HZ LYS 45 -12.401 -1.872 16.178 378 3HZ LYS 45 3HZ LYS 45 -12.695 -1.052 14.729 379 H HIS 46 H HIS 46 -11.852 -8.874 14.099 380 HA HIS 46 HA HIS 46 -13.722 -8.550 16.217 381 1HB HIS 46 2HB HIS 46 -14.174 -6.740 14.277 382 2HB HIS 46 1HB HIS 46 -15.081 -8.096 13.615 383 HD1 HIS 46 1HD HIS 46 -14.810 -6.658 17.139 384 HD2 HIS 46 2HD HIS 46 -17.660 -7.770 14.327 385 HE1 HIS 46 1HE HIS 46 -17.035 -6.261 18.243 386 HE2 HIS 46 2HE HIS 46 -18.743 -7.017 16.552 387 H THR 47 H THR 47 -15.943 -9.636 14.502 388 HA THR 47 HA THR 47 -14.990 -12.395 14.477 389 HB THR 47 HB THR 47 -17.821 -11.436 14.079 390 HG1 THR 47 1HG THR 47 -16.551 -12.134 16.515 391 1HG2 THR 47 1HG2 THR 47 -18.051 -13.631 13.665 392 2HG2 THR 47 2HG2 THR 47 -18.027 -13.739 15.425 393 3HG2 THR 47 3HG2 THR 47 -16.560 -14.059 14.501 394 H LYS 48 H LYS 48 -14.083 -10.700 12.395 395 HA LYS 48 HA LYS 48 -15.641 -11.136 10.034 396 1HB LYS 48 2HB LYS 48 -13.395 -10.420 8.919 397 2HB LYS 48 1HB LYS 48 -14.338 -9.241 9.817 398 1HG LYS 48 2HG LYS 48 -11.931 -9.091 10.273 399 2HG LYS 48 1HG LYS 48 -12.869 -9.452 11.720 400 1HD LYS 48 2HD LYS 48 -12.105 -11.910 10.478 401 2HD LYS 48 1HD LYS 48 -10.681 -10.885 10.635 402 1HE LYS 48 2HE LYS 48 -11.435 -10.512 13.046 403 2HE LYS 48 1HE LYS 48 -12.522 -11.875 12.789 404 1HZ LYS 48 1HZ LYS 48 -9.986 -12.084 13.646 405 2HZ LYS 48 2HZ LYS 48 -9.789 -12.355 11.989 406 3HZ LYS 48 3HZ LYS 48 -10.842 -13.330 12.885 407 H LYS 49 H LYS 49 -13.682 -13.161 11.840 408 HA LYS 49 HA LYS 49 -12.991 -15.306 11.500 409 1HB LYS 49 2HB LYS 49 -13.863 -15.249 8.636 410 2HB LYS 49 1HB LYS 49 -13.889 -16.584 9.781 411 1HG LYS 49 2HG LYS 49 -15.973 -16.130 10.390 412 2HG LYS 49 1HG LYS 49 -15.598 -14.425 10.649 413 1HD LYS 49 2HD LYS 49 -17.209 -14.385 8.965 414 2HD LYS 49 1HD LYS 49 -15.685 -14.228 8.089 415 1HE LYS 49 2HE LYS 49 -17.359 -15.851 7.117 416 2HE LYS 49 1HE LYS 49 -15.738 -16.486 7.397 417 1HZ LYS 49 1HZ LYS 49 -17.772 -16.798 9.491 418 2HZ LYS 49 2HZ LYS 49 -16.447 -17.784 9.126 419 3HZ LYS 49 3HZ LYS 49 -17.824 -17.821 8.145 420 H GLY 50 H GLY 50 -12.521 -13.528 8.436 421 1HA GLY 50 2HA GLY 50 -10.124 -12.713 8.201 422 2HA GLY 50 1HA GLY 50 -9.702 -14.392 8.495 423 H VAL 51 H VAL 51 -12.543 -13.706 6.632 424 HA VAL 51 HA VAL 51 -11.153 -13.872 4.095 425 HB VAL 51 HB VAL 51 -13.183 -15.994 4.780 426 1HG1 VAL 51 1HG1 VAL 51 -11.818 -15.136 2.350 427 2HG1 VAL 51 2HG1 VAL 51 -13.259 -16.135 2.549 428 3HG1 VAL 51 3HG1 VAL 51 -11.657 -16.864 2.667 429 1HG2 VAL 51 1HG2 VAL 51 -10.173 -16.174 4.746 430 2HG2 VAL 51 2HG2 VAL 51 -11.259 -17.563 4.800 431 3HG2 VAL 51 3HG2 VAL 51 -11.237 -16.409 6.133 432 H GLU 52 H GLU 52 -13.137 -12.145 5.659 433 HA GLU 52 HA GLU 52 -15.468 -12.221 3.921 434 1HB GLU 52 2HB GLU 52 -16.368 -10.478 5.377 435 2HB GLU 52 1HB GLU 52 -15.799 -11.849 6.319 436 1HG GLU 52 2HG GLU 52 -14.808 -10.293 7.571 437 2HG GLU 52 1HG GLU 52 -13.588 -10.288 6.299 438 H LYS 53 H LYS 53 -12.436 -10.923 3.731 439 HA LYS 53 HA LYS 53 -13.130 -9.232 1.546 440 1HB LYS 53 2HB LYS 53 -12.002 -7.181 2.650 441 2HB LYS 53 1HB LYS 53 -13.682 -7.528 3.034 442 1HG LYS 53 2HG LYS 53 -12.845 -7.097 5.114 443 2HG LYS 53 1HG LYS 53 -12.636 -8.847 5.040 444 1HD LYS 53 2HD LYS 53 -10.292 -8.304 4.110 445 2HD LYS 53 1HD LYS 53 -10.577 -6.686 4.756 446 1HE LYS 53 2HE LYS 53 -9.344 -8.237 6.291 447 2HE LYS 53 1HE LYS 53 -10.805 -7.522 6.971 448 1HZ LYS 53 1HZ LYS 53 -11.108 -10.096 5.640 449 2HZ LYS 53 2HZ LYS 53 -11.853 -9.506 7.039 450 3HZ LYS 53 3HZ LYS 53 -10.273 -10.104 7.112 451 H TYR 54 H TYR 54 -11.397 -11.484 2.165 452 HA TYR 54 HA TYR 54 -9.315 -12.259 1.693 453 1HB TYR 54 2HB TYR 54 -9.406 -9.720 0.090 454 2HB TYR 54 1HB TYR 54 -7.948 -10.706 0.123 455 HD1 TYR 54 1HD TYR 54 -8.006 -13.024 -0.767 456 HD2 TYR 54 2HD TYR 54 -11.322 -10.388 -1.163 457 HE1 TYR 54 1HE TYR 54 -8.940 -14.472 -2.520 458 HE2 TYR 54 2HE TYR 54 -12.265 -11.829 -2.917 459 HH TYR 54 HH TYR 54 -11.942 -14.525 -3.456 460 H GLY 55 H GLY 55 -9.606 -10.999 4.173 461 1HA GLY 55 2HA GLY 55 -7.522 -9.121 4.673 462 2HA GLY 55 1HA GLY 55 -8.407 -10.034 5.885 463 H ALA 56 H ALA 56 -7.781 -12.629 5.155 464 HA ALA 56 HA ALA 56 -5.285 -12.987 6.387 465 1HB ALA 56 1HB ALA 56 -6.372 -15.127 4.632 466 2HB ALA 56 2HB ALA 56 -7.331 -14.611 6.019 467 3HB ALA 56 3HB ALA 56 -5.698 -15.231 6.258 468 H GLU 57 H GLU 57 -6.219 -13.460 2.978 469 HA GLU 57 HA GLU 57 -3.657 -14.070 2.024 470 1HB GLU 57 2HB GLU 57 -6.031 -14.198 0.894 471 2HB GLU 57 1HB GLU 57 -5.613 -12.594 0.308 472 1HG GLU 57 2HG GLU 57 -4.697 -13.687 -1.405 473 2HG GLU 57 1HG GLU 57 -3.360 -13.982 -0.294 474 H ALA 58 H ALA 58 -5.212 -11.022 2.700 475 HA ALA 58 HA ALA 58 -3.625 -9.272 1.237 476 1HB ALA 58 1HB ALA 58 -4.978 -7.805 2.204 477 2HB ALA 58 2HB ALA 58 -4.209 -8.090 3.765 478 3HB ALA 58 3HB ALA 58 -5.582 -9.076 3.266 479 H SER 59 H SER 59 -3.148 -10.446 4.562 480 HA SER 59 HA SER 59 -0.704 -9.090 4.984 481 1HB SER 59 2HB SER 59 -1.578 -11.644 6.344 482 2HB SER 59 1HB SER 59 -0.493 -10.405 6.976 483 HG SER 59 HG SER 59 -2.351 -8.961 6.840 484 H ALA 60 H ALA 60 -1.508 -12.219 3.623 485 HA ALA 60 HA ALA 60 1.055 -13.370 3.672 486 1HB ALA 60 1HB ALA 60 -1.486 -13.893 2.286 487 2HB ALA 60 2HB ALA 60 -0.406 -14.996 3.137 488 3HB ALA 60 3HB ALA 60 -0.042 -14.508 1.481 489 H PHE 61 H PHE 61 -0.592 -11.481 1.148 490 HA PHE 61 HA PHE 61 1.471 -11.605 -0.755 491 1HB PHE 61 2HB PHE 61 -0.829 -10.896 -1.289 492 2HB PHE 61 1HB PHE 61 -0.590 -9.425 -0.352 493 HD1 PHE 61 1HD PHE 61 1.388 -7.911 -1.095 494 HD2 PHE 61 2HD PHE 61 -0.399 -10.891 -3.554 495 HE1 PHE 61 1HE PHE 61 2.263 -6.780 -3.096 496 HE2 PHE 61 2HE PHE 61 0.474 -9.764 -5.559 497 HZ PHE 61 HZ PHE 61 1.807 -7.705 -5.332 498 H THR 62 H THR 62 0.802 -9.275 1.823 499 HA THR 62 HA THR 62 2.975 -7.553 1.132 500 HB THR 62 HB THR 62 1.490 -7.738 3.758 501 HG1 THR 62 1HG THR 62 0.202 -6.069 2.842 502 1HG2 THR 62 1HG2 THR 62 2.696 -6.024 4.443 503 2HG2 THR 62 2HG2 THR 62 2.189 -5.090 3.035 504 3HG2 THR 62 3HG2 THR 62 3.640 -6.089 2.956 505 H LYS 63 H LYS 63 2.544 -10.279 3.289 506 HA LYS 63 HA LYS 63 4.971 -9.929 4.733 507 1HB LYS 63 2HB LYS 63 2.922 -12.064 4.472 508 2HB LYS 63 1HB LYS 63 4.505 -12.543 5.066 509 1HG LYS 63 2HG LYS 63 4.311 -10.782 6.813 510 2HG LYS 63 1HG LYS 63 2.657 -10.495 6.268 511 1HD LYS 63 2HD LYS 63 2.189 -12.918 6.703 512 2HD LYS 63 1HD LYS 63 3.790 -13.033 7.438 513 1HE LYS 63 2HE LYS 63 2.819 -10.897 8.756 514 2HE LYS 63 1HE LYS 63 1.318 -11.771 8.446 515 1HZ LYS 63 1HZ LYS 63 3.649 -13.181 9.568 516 2HZ LYS 63 2HZ LYS 63 2.008 -13.567 9.693 517 3HZ LYS 63 3HZ LYS 63 2.640 -12.273 10.578 518 H LYS 64 H LYS 64 4.052 -11.912 1.943 519 HA LYS 64 HA LYS 64 6.628 -13.118 1.680 520 1HB LYS 64 2HB LYS 64 5.760 -13.889 -0.529 521 2HB LYS 64 1HB LYS 64 4.719 -14.299 0.828 522 1HG LYS 64 2HG LYS 64 3.035 -13.397 -0.289 523 2HG LYS 64 1HG LYS 64 3.800 -11.824 -0.061 524 1HD LYS 64 2HD LYS 64 4.470 -11.704 -2.205 525 2HD LYS 64 1HD LYS 64 4.915 -13.411 -2.262 526 1HE LYS 64 2HE LYS 64 2.972 -13.985 -3.201 527 2HE LYS 64 1HE LYS 64 2.043 -13.019 -2.056 528 1HZ LYS 64 1HZ LYS 64 3.441 -11.931 -4.440 529 2HZ LYS 64 2HZ LYS 64 2.442 -11.071 -3.382 530 3HZ LYS 64 3HZ LYS 64 1.786 -12.277 -4.368 531 H MET 65 H MET 65 5.040 -10.305 0.313 532 HA MET 65 HA MET 65 6.949 -9.787 -1.718 533 1HB MET 65 2HB MET 65 4.677 -8.828 -1.723 534 2HB MET 65 1HB MET 65 5.088 -7.863 -0.311 535 1HG MET 65 2HG MET 65 5.547 -6.278 -1.816 536 2HG MET 65 1HG MET 65 7.070 -7.147 -2.001 537 1HE MET 65 1HE MET 65 7.865 -8.285 -3.932 538 2HE MET 65 2HE MET 65 6.961 -8.754 -5.371 539 3HE MET 65 3HE MET 65 6.713 -9.617 -3.853 540 H VAL 66 H VAL 66 6.721 -8.929 1.672 541 HA VAL 66 HA VAL 66 9.038 -7.171 1.498 542 HB VAL 66 HB VAL 66 8.690 -6.733 3.862 543 1HG1 VAL 66 1HG1 VAL 66 6.309 -5.865 3.716 544 2HG1 VAL 66 2HG1 VAL 66 6.253 -6.598 2.112 545 3HG1 VAL 66 3HG1 VAL 66 7.426 -5.328 2.461 546 1HG2 VAL 66 1HG2 VAL 66 8.008 -8.740 4.825 547 2HG2 VAL 66 2HG2 VAL 66 6.719 -8.981 3.647 548 3HG2 VAL 66 3HG2 VAL 66 6.556 -7.744 4.893 549 H GLU 67 H GLU 67 8.136 -10.237 3.056 550 HA GLU 67 HA GLU 67 10.554 -10.733 4.357 551 1HB GLU 67 2HB GLU 67 8.450 -12.586 3.251 552 2HB GLU 67 1HB GLU 67 9.855 -13.181 4.125 553 1HG GLU 67 2HG GLU 67 8.430 -11.046 5.512 554 2HG GLU 67 1HG GLU 67 7.460 -12.492 5.236 555 H ASN 68 H ASN 68 9.677 -11.009 1.013 556 HA ASN 68 HA ASN 68 12.115 -12.487 0.376 557 1HB ASN 68 2HB ASN 68 9.702 -11.691 -1.249 558 2HB ASN 68 1HB ASN 68 11.153 -12.360 -1.990 559 1HD2 ASN 68 1HD2 ASN 68 8.962 -13.036 0.719 560 2HD2 ASN 68 2HD2 ASN 68 8.889 -14.741 0.455 561 H ALA 69 H ALA 69 10.594 -9.351 -0.125 562 HA ALA 69 HA ALA 69 12.532 -8.292 -1.883 563 1HB ALA 69 1HB ALA 69 10.625 -6.901 -0.007 564 2HB ALA 69 2HB ALA 69 10.368 -7.259 -1.715 565 3HB ALA 69 3HB ALA 69 11.596 -6.089 -1.235 566 H LYS 70 H LYS 70 14.512 -8.939 -0.962 567 HA LYS 70 HA LYS 70 15.490 -8.485 1.557 568 1HB LYS 70 2HB LYS 70 17.075 -8.136 -0.993 569 2HB LYS 70 1HB LYS 70 17.714 -8.539 0.596 570 1HG LYS 70 2HG LYS 70 15.667 -10.402 -0.293 571 2HG LYS 70 1HG LYS 70 17.046 -10.320 -1.390 572 1HD LYS 70 2HD LYS 70 17.658 -11.976 0.133 573 2HD LYS 70 1HD LYS 70 18.480 -10.537 0.739 574 1HE LYS 70 2HE LYS 70 17.472 -11.684 2.591 575 2HE LYS 70 1HE LYS 70 16.592 -10.182 2.308 576 1HZ LYS 70 1HZ LYS 70 14.740 -11.278 1.692 577 2HZ LYS 70 2HZ LYS 70 15.401 -12.527 2.621 578 3HZ LYS 70 3HZ LYS 70 15.581 -12.540 0.940 579 H LYS 71 H LYS 71 14.907 -6.164 -0.963 580 HA LYS 71 HA LYS 71 15.941 -4.048 0.809 581 1HB LYS 71 2HB LYS 71 17.389 -4.107 -1.086 582 2HB LYS 71 1HB LYS 71 16.040 -4.265 -2.201 583 1HG LYS 71 2HG LYS 71 15.723 -1.856 -0.706 584 2HG LYS 71 1HG LYS 71 17.359 -1.917 -1.368 585 1HD LYS 71 2HD LYS 71 15.147 -2.688 -3.182 586 2HD LYS 71 1HD LYS 71 15.265 -0.982 -2.747 587 1HE LYS 71 2HE LYS 71 17.668 -2.504 -3.688 588 2HE LYS 71 1HE LYS 71 16.519 -1.826 -4.840 589 1HZ LYS 71 1HZ LYS 71 16.910 0.300 -3.356 590 2HZ LYS 71 2HZ LYS 71 17.934 -0.082 -4.647 591 3HZ LYS 71 3HZ LYS 71 18.393 -0.462 -3.064 592 H ILE 72 H ILE 72 14.358 -2.834 1.592 593 HA ILE 72 HA ILE 72 11.948 -2.445 -0.055 594 HB ILE 72 HB ILE 72 11.890 -2.423 2.951 595 1HG1 ILE 72 2HG1 ILE 72 10.834 -4.772 2.591 596 2HG1 ILE 72 1HG1 ILE 72 11.701 -4.756 1.059 597 1HG2 ILE 72 1HG2 ILE 72 10.068 -1.432 1.423 598 2HG2 ILE 72 2HG2 ILE 72 9.575 -2.512 2.728 599 3HG2 ILE 72 3HG2 ILE 72 9.663 -3.112 1.071 600 1HD1 ILE 72 1HD1 ILE 72 12.705 -5.742 3.334 601 2HD1 ILE 72 2HD1 ILE 72 13.288 -4.081 3.442 602 3HD1 ILE 72 3HD1 ILE 72 13.697 -5.071 2.040 603 H GLU 73 H GLU 73 11.041 -0.424 -0.124 604 HA GLU 73 HA GLU 73 12.397 1.720 1.356 605 1HB GLU 73 2HB GLU 73 11.935 1.511 -1.599 606 2HB GLU 73 1HB GLU 73 12.032 3.083 -0.822 607 1HG GLU 73 2HG GLU 73 14.185 2.621 -1.635 608 2HG GLU 73 1HG GLU 73 14.255 2.366 0.108 609 H VAL 74 H VAL 74 11.132 3.585 1.769 610 HA VAL 74 HA VAL 74 8.262 3.314 1.187 611 HB VAL 74 HB VAL 74 7.790 4.244 3.468 612 1HG1 VAL 74 1HG1 VAL 74 9.161 1.681 3.983 613 2HG1 VAL 74 2HG1 VAL 74 7.991 1.691 2.664 614 3HG1 VAL 74 3HG1 VAL 74 7.490 2.159 4.289 615 1HG2 VAL 74 1HG2 VAL 74 10.551 4.586 3.553 616 2HG2 VAL 74 2HG2 VAL 74 10.226 3.267 4.677 617 3HG2 VAL 74 3HG2 VAL 74 9.412 4.819 4.879 618 H GLU 75 H GLU 75 7.110 5.235 0.958 619 HA GLU 75 HA GLU 75 8.640 7.733 1.088 620 1HB GLU 75 2HB GLU 75 8.787 7.035 -1.223 621 2HB GLU 75 1HB GLU 75 7.053 6.761 -1.292 622 1HG GLU 75 2HG GLU 75 7.718 8.833 -2.409 623 2HG GLU 75 1HG GLU 75 6.630 9.124 -1.053 624 H PHE 76 H PHE 76 7.543 9.354 2.000 625 HA PHE 76 HA PHE 76 4.719 8.931 2.626 626 1HB PHE 76 2HB PHE 76 6.705 10.970 3.657 627 2HB PHE 76 1HB PHE 76 5.026 10.859 4.176 628 HD1 PHE 76 2HD PHE 76 7.983 8.608 3.794 629 HD2 PHE 76 1HD PHE 76 4.635 9.772 6.154 630 HE1 PHE 76 2HE PHE 76 8.631 6.973 5.515 631 HE2 PHE 76 1HE PHE 76 5.280 8.139 7.878 632 HZ PHE 76 HZ PHE 76 7.280 6.738 7.559 633 H ASP 77 H ASP 77 3.091 10.291 1.960 634 HA ASP 77 HA ASP 77 3.774 12.049 -0.267 635 1HB ASP 77 2HB ASP 77 1.491 10.393 0.448 636 2HB ASP 77 1HB ASP 77 1.002 12.012 -0.042 637 H LYS 78 H LYS 78 4.094 12.713 2.665 638 HA LYS 78 HA LYS 78 4.118 14.694 3.804 639 1HB LYS 78 2HB LYS 78 2.177 15.864 1.820 640 2HB LYS 78 1HB LYS 78 3.297 16.711 2.877 641 1HG LYS 78 2HG LYS 78 5.005 16.508 1.445 642 2HG LYS 78 1HG LYS 78 4.573 14.855 1.002 643 1HD LYS 78 2HD LYS 78 2.726 15.775 -0.388 644 2HD LYS 78 1HD LYS 78 3.318 17.398 -0.027 645 1HE LYS 78 2HE LYS 78 5.587 16.436 -0.911 646 2HE LYS 78 1HE LYS 78 4.544 15.254 -1.703 647 1HZ LYS 78 1HZ LYS 78 3.746 16.784 -3.128 648 2HZ LYS 78 2HZ LYS 78 5.193 17.588 -2.786 649 3HZ LYS 78 3HZ LYS 78 3.768 18.040 -1.996 650 H GLY 79 H GLY 79 1.207 13.066 2.910 651 1HA GLY 79 2HA GLY 79 -0.644 14.419 4.528 652 2HA GLY 79 1HA GLY 79 -0.770 12.742 4.022 653 H GLN 80 H GLN 80 -1.645 12.164 6.045 654 HA GLN 80 HA GLN 80 -0.497 12.711 8.529 655 1HB GLN 80 2HB GLN 80 -2.759 11.809 8.269 656 2HB GLN 80 1HB GLN 80 -2.096 10.293 7.676 657 1HG GLN 80 2HG GLN 80 -2.593 9.828 9.882 658 2HG GLN 80 1HG GLN 80 -0.869 10.192 9.929 659 1HE2 GLN 80 1HE2 GLN 80 -0.293 12.433 10.500 660 2HE2 GLN 80 2HE2 GLN 80 -1.262 13.251 11.673 661 H ARG 81 H ARG 81 1.359 12.104 9.399 662 HA ARG 81 HA ARG 81 2.942 10.019 8.152 663 1HB ARG 81 2HB ARG 81 3.593 12.396 9.340 664 2HB ARG 81 1HB ARG 81 3.961 11.251 10.622 665 1HG ARG 81 2HG ARG 81 5.652 10.257 9.439 666 2HG ARG 81 1HG ARG 81 4.966 10.703 7.875 667 1HD ARG 81 2HD ARG 81 6.121 12.695 9.815 668 2HD ARG 81 1HD ARG 81 7.059 11.935 8.531 669 HE ARG 81 HE ARG 81 4.650 13.216 7.618 670 1HH1 ARG 81 1HH1 ARG 81 8.031 13.662 8.359 671 2HH1 ARG 81 2HH1 ARG 81 8.203 15.043 7.328 672 1HH2 ARG 81 1HH2 ARG 81 4.874 15.032 6.263 673 2HH2 ARG 81 2HH2 ARG 81 6.411 15.821 6.140 674 H THR 82 H THR 82 0.877 10.416 10.868 675 HA THR 82 HA THR 82 1.285 7.640 11.614 676 HB THR 82 HB THR 82 1.705 8.037 13.923 677 HG1 THR 82 1HG THR 82 1.412 10.809 13.401 678 1HG2 THR 82 1HG2 THR 82 3.409 9.979 12.382 679 2HG2 THR 82 2HG2 THR 82 3.726 8.258 12.601 680 3HG2 THR 82 3HG2 THR 82 3.760 9.345 13.989 681 H ASP 83 H ASP 83 -0.705 6.862 11.441 682 HA ASP 83 HA ASP 83 -3.070 8.293 11.444 683 1HB ASP 83 2HB ASP 83 -2.738 5.936 10.641 684 2HB ASP 83 1HB ASP 83 -2.796 5.416 12.323 685 H LYS 84 H LYS 84 -1.626 6.477 14.148 686 HA LYS 84 HA LYS 84 -2.431 8.305 16.109 687 1HB LYS 84 2HB LYS 84 -4.167 6.818 17.236 688 2HB LYS 84 1HB LYS 84 -4.687 7.704 15.809 689 1HG LYS 84 2HG LYS 84 -3.781 5.310 14.781 690 2HG LYS 84 1HG LYS 84 -4.572 4.845 16.288 691 1HD LYS 84 2HD LYS 84 -6.364 6.618 15.277 692 2HD LYS 84 1HD LYS 84 -5.716 5.909 13.797 693 1HE LYS 84 2HE LYS 84 -6.519 3.817 14.284 694 2HE LYS 84 1HE LYS 84 -6.484 4.092 16.025 695 1HZ LYS 84 1HZ LYS 84 -8.334 5.820 15.417 696 2HZ LYS 84 2HZ LYS 84 -8.712 4.185 15.627 697 3HZ LYS 84 3HZ LYS 84 -8.540 4.818 14.068 698 H TYR 85 H TYR 85 -1.758 4.924 15.360 699 HA TYR 85 HA TYR 85 -0.519 4.544 17.977 700 1HB TYR 85 2HB TYR 85 -0.746 2.506 15.762 701 2HB TYR 85 1HB TYR 85 -0.468 2.213 17.475 702 HD1 TYR 85 2HD TYR 85 -2.358 2.838 19.098 703 HD2 TYR 85 1HD TYR 85 -2.915 2.485 14.895 704 HE1 TYR 85 2HE TYR 85 -4.778 2.570 19.447 705 HE2 TYR 85 1HE TYR 85 -5.336 2.217 15.233 706 HH TYR 85 HH TYR 85 -6.825 1.348 17.276 707 H GLY 86 H GLY 86 0.762 6.390 16.251 708 1HA GLY 86 2HA GLY 86 2.838 6.903 15.418 709 2HA GLY 86 1HA GLY 86 3.420 5.609 16.454 710 H ARG 87 H ARG 87 1.151 5.083 13.844 711 HA ARG 87 HA ARG 87 2.966 3.192 12.631 712 1HB ARG 87 2HB ARG 87 0.248 4.050 11.635 713 2HB ARG 87 1HB ARG 87 1.122 2.584 11.214 714 1HG ARG 87 2HG ARG 87 0.717 2.810 14.072 715 2HG ARG 87 1HG ARG 87 -0.804 2.861 13.180 716 1HD ARG 87 2HD ARG 87 0.065 0.817 11.922 717 2HD ARG 87 1HD ARG 87 1.294 0.709 13.183 718 HE ARG 87 HE ARG 87 -1.492 0.040 13.413 719 1HH1 ARG 87 1HH1 ARG 87 1.377 0.991 15.157 720 2HH1 ARG 87 2HH1 ARG 87 0.837 0.321 16.660 721 1HH2 ARG 87 1HH2 ARG 87 -2.205 -0.840 15.390 722 2HH2 ARG 87 2HH2 ARG 87 -1.197 -0.718 16.792 723 H GLY 88 H GLY 88 4.477 3.808 11.242 724 1HA GLY 88 2HA GLY 88 4.659 6.340 10.063 725 2HA GLY 88 1HA GLY 88 5.558 4.920 9.552 726 H LEU 89 H LEU 89 2.558 6.712 9.133 727 HA LEU 89 HA LEU 89 1.450 5.162 7.074 728 1HB LEU 89 2HB LEU 89 1.088 7.902 8.123 729 2HB LEU 89 1HB LEU 89 0.536 7.635 6.481 730 HG LEU 89 HG LEU 89 -0.374 6.107 8.921 731 1HD1 LEU 89 1HD1 LEU 89 -1.494 8.083 9.137 732 2HD1 LEU 89 2HD1 LEU 89 -2.590 7.231 8.049 733 3HD1 LEU 89 3HD1 LEU 89 -1.459 8.422 7.407 734 1HD2 LEU 89 1HD2 LEU 89 -2.001 5.817 6.559 735 2HD2 LEU 89 2HD2 LEU 89 -1.275 4.578 7.583 736 3HD2 LEU 89 3HD2 LEU 89 -0.349 5.278 6.257 737 H ALA 90 H ALA 90 2.191 4.781 5.096 738 HA ALA 90 HA ALA 90 3.002 6.700 3.255 739 1HB ALA 90 1HB ALA 90 5.260 5.478 4.810 740 2HB ALA 90 2HB ALA 90 4.972 7.175 4.423 741 3HB ALA 90 3HB ALA 90 5.481 6.056 3.159 742 H TYR 91 H TYR 91 4.090 5.706 1.309 743 HA TYR 91 HA TYR 91 2.810 3.190 0.739 744 1HB TYR 91 2HB TYR 91 4.611 4.924 -0.966 745 2HB TYR 91 1HB TYR 91 3.721 3.518 -1.541 746 HD1 TYR 91 1HD TYR 91 3.273 6.891 -0.044 747 HD2 TYR 91 2HD TYR 91 1.504 3.731 -2.276 748 HE1 TYR 91 1HE TYR 91 1.332 8.323 -0.524 749 HE2 TYR 91 2HE TYR 91 -0.440 5.154 -2.763 750 HH TYR 91 HH TYR 91 -0.463 8.521 -2.111 751 H ILE 92 H ILE 92 3.764 1.224 0.375 752 HA ILE 92 HA ILE 92 6.530 0.967 1.314 753 HB ILE 92 HB ILE 92 4.520 -1.240 0.876 754 1HG1 ILE 92 2HG1 ILE 92 3.754 0.420 2.570 755 2HG1 ILE 92 1HG1 ILE 92 4.066 -1.173 3.252 756 1HG2 ILE 92 1HG2 ILE 92 6.424 -2.431 1.043 757 2HG2 ILE 92 2HG2 ILE 92 6.230 -2.126 2.768 758 3HG2 ILE 92 3HG2 ILE 92 7.306 -1.110 1.809 759 1HD1 ILE 92 1HD1 ILE 92 4.998 1.212 4.225 760 2HD1 ILE 92 2HD1 ILE 92 6.389 0.568 3.350 761 3HD1 ILE 92 3HD1 ILE 92 5.627 -0.387 4.624 762 H TYR 93 H TYR 93 8.129 0.039 0.108 763 HA TYR 93 HA TYR 93 7.445 -0.850 -2.609 764 1HB TYR 93 2HB TYR 93 9.533 1.162 -1.797 765 2HB TYR 93 1HB TYR 93 9.663 0.260 -3.302 766 HD1 TYR 93 1HD TYR 93 7.895 0.530 -5.049 767 HD2 TYR 93 2HD TYR 93 8.056 3.007 -1.594 768 HE1 TYR 93 1HE TYR 93 6.438 2.165 -6.163 769 HE2 TYR 93 2HE TYR 93 6.595 4.651 -2.698 770 HH TYR 93 HH TYR 93 5.908 5.313 -4.905 771 H ALA 94 H ALA 94 8.288 -2.761 -3.115 772 HA ALA 94 HA ALA 94 10.501 -3.794 -1.459 773 1HB ALA 94 1HB ALA 94 7.954 -4.927 -2.198 774 2HB ALA 94 2HB ALA 94 9.139 -5.499 -1.026 775 3HB ALA 94 3HB ALA 94 9.279 -5.964 -2.721 776 H ASP 95 H ASP 95 12.365 -4.123 -2.449 777 HA ASP 95 HA ASP 95 13.932 -4.069 -4.122 778 1HB ASP 95 2HB ASP 95 13.143 -6.462 -3.935 779 2HB ASP 95 1HB ASP 95 12.134 -6.160 -5.347 780 H GLY 96 H GLY 96 12.107 -2.004 -4.538 781 1HA GLY 96 2HA GLY 96 11.794 -0.437 -6.214 782 2HA GLY 96 1HA GLY 96 12.470 -1.581 -7.362 783 H LYS 97 H LYS 97 9.864 -2.668 -5.378 784 HA LYS 97 HA LYS 97 8.039 -2.403 -7.675 785 1HB LYS 97 2HB LYS 97 8.675 -4.726 -7.301 786 2HB LYS 97 1HB LYS 97 8.203 -4.608 -5.612 787 1HG LYS 97 2HG LYS 97 6.262 -5.465 -6.278 788 2HG LYS 97 1HG LYS 97 5.917 -3.853 -6.903 789 1HD LYS 97 2HD LYS 97 7.354 -4.894 -8.949 790 2HD LYS 97 1HD LYS 97 6.558 -6.344 -8.334 791 1HE LYS 97 2HE LYS 97 4.415 -5.452 -8.701 792 2HE LYS 97 1HE LYS 97 5.039 -3.813 -8.884 793 1HZ LYS 97 1HZ LYS 97 4.492 -4.623 -11.029 794 2HZ LYS 97 2HZ LYS 97 5.333 -6.070 -10.785 795 3HZ LYS 97 3HZ LYS 97 6.182 -4.615 -10.931 796 H MET 98 H MET 98 5.970 -1.708 -7.318 797 HA MET 98 HA MET 98 5.492 -0.356 -4.800 798 1HB MET 98 2HB MET 98 4.915 0.333 -7.337 799 2HB MET 98 1HB MET 98 3.397 -0.430 -6.895 800 1HG MET 98 2HG MET 98 2.807 1.227 -5.503 801 2HG MET 98 1HG MET 98 4.458 1.496 -4.947 802 1HE MET 98 1HE MET 98 2.065 3.214 -8.270 803 2HE MET 98 2HE MET 98 1.929 4.031 -6.713 804 3HE MET 98 3HE MET 98 1.624 2.299 -6.829 805 H VAL 99 H VAL 99 4.691 -1.495 -3.157 806 HA VAL 99 HA VAL 99 3.256 -3.933 -3.495 807 HB VAL 99 HB VAL 99 3.414 -2.286 -0.974 808 1HG1 VAL 99 1HG1 VAL 99 3.475 -5.226 -0.898 809 2HG1 VAL 99 2HG1 VAL 99 1.959 -4.513 -1.448 810 3HG1 VAL 99 3HG1 VAL 99 2.616 -4.079 0.129 811 1HG2 VAL 99 1HG2 VAL 99 5.483 -3.834 -2.390 812 2HG2 VAL 99 2HG2 VAL 99 5.344 -4.142 -0.659 813 3HG2 VAL 99 3HG2 VAL 99 5.644 -2.505 -1.243 814 H ASN 100 H ASN 100 2.333 -0.602 -2.879 815 HA ASN 100 HA ASN 100 -0.329 -1.058 -2.109 816 1HB ASN 100 2HB ASN 100 -0.647 1.341 -3.079 817 2HB ASN 100 1HB ASN 100 0.383 1.108 -1.672 818 1HD2 ASN 100 1HD2 ASN 100 0.175 2.819 -4.351 819 2HD2 ASN 100 2HD2 ASN 100 1.843 2.998 -4.763 820 H GLU 101 H GLU 101 1.060 -0.417 -5.325 821 HA GLU 101 HA GLU 101 -1.489 -0.646 -6.621 822 1HB GLU 101 2HB GLU 101 -0.393 -0.136 -8.606 823 2HB GLU 101 1HB GLU 101 0.590 0.683 -7.403 824 1HG GLU 101 2HG GLU 101 2.248 -0.289 -8.586 825 2HG GLU 101 1HG GLU 101 1.911 -1.620 -7.482 826 H ALA 102 H ALA 102 1.244 -2.782 -6.038 827 HA ALA 102 HA ALA 102 0.528 -4.859 -7.781 828 1HB ALA 102 1HB ALA 102 2.710 -4.570 -6.526 829 2HB ALA 102 2HB ALA 102 2.066 -6.209 -6.607 830 3HB ALA 102 3HB ALA 102 1.887 -5.264 -5.129 831 H LEU 103 H LEU 103 -0.314 -4.294 -4.377 832 HA LEU 103 HA LEU 103 -1.822 -6.667 -4.059 833 1HB LEU 103 2HB LEU 103 -1.707 -4.064 -2.567 834 2HB LEU 103 1HB LEU 103 -2.869 -5.303 -2.131 835 HG LEU 103 HG LEU 103 0.009 -6.061 -2.318 836 1HD1 LEU 103 1HD1 LEU 103 0.353 -5.390 0.014 837 2HD1 LEU 103 2HD1 LEU 103 -1.221 -4.594 0.011 838 3HD1 LEU 103 3HD1 LEU 103 0.070 -4.000 -1.035 839 1HD2 LEU 103 1HD2 LEU 103 -0.755 -7.440 -0.320 840 2HD2 LEU 103 2HD2 LEU 103 -1.441 -7.860 -1.889 841 3HD2 LEU 103 3HD2 LEU 103 -2.391 -6.928 -0.732 842 H VAL 104 H VAL 104 -2.826 -3.299 -4.655 843 HA VAL 104 HA VAL 104 -5.579 -3.831 -4.858 844 HB VAL 104 HB VAL 104 -4.079 -1.614 -6.251 845 1HG1 VAL 104 1HG1 VAL 104 -6.124 -0.446 -6.328 846 2HG1 VAL 104 2HG1 VAL 104 -6.905 -1.582 -5.228 847 3HG1 VAL 104 3HG1 VAL 104 -6.494 -2.083 -6.869 848 1HG2 VAL 104 1HG2 VAL 104 -3.877 -0.466 -4.324 849 2HG2 VAL 104 2HG2 VAL 104 -3.962 -2.065 -3.587 850 3HG2 VAL 104 3HG2 VAL 104 -5.409 -1.061 -3.687 851 H ARG 105 H ARG 105 -3.032 -3.637 -7.316 852 HA ARG 105 HA ARG 105 -4.642 -3.969 -9.577 853 1HB ARG 105 2HB ARG 105 -2.263 -3.288 -9.638 854 2HB ARG 105 1HB ARG 105 -1.800 -4.921 -9.176 855 1HG ARG 105 2HG ARG 105 -1.951 -5.657 -11.266 856 2HG ARG 105 1HG ARG 105 -3.532 -4.908 -11.497 857 1HD ARG 105 2HD ARG 105 -2.206 -3.818 -13.059 858 2HD ARG 105 1HD ARG 105 -2.205 -2.703 -11.693 859 HE ARG 105 HE ARG 105 -0.009 -4.353 -11.363 860 1HH1 ARG 105 1HH1 ARG 105 -1.141 -2.034 -13.714 861 2HH1 ARG 105 2HH1 ARG 105 0.452 -1.566 -14.204 862 1HH2 ARG 105 1HH2 ARG 105 2.087 -3.739 -12.007 863 2HH2 ARG 105 2HH2 ARG 105 2.285 -2.534 -13.235 864 H GLN 106 H GLN 106 -3.436 -6.264 -7.249 865 HA GLN 106 HA GLN 106 -4.274 -8.541 -8.856 866 1HB GLN 106 2HB GLN 106 -2.611 -8.130 -6.453 867 2HB GLN 106 1HB GLN 106 -3.571 -9.603 -6.451 868 1HG GLN 106 2HG GLN 106 -1.998 -8.961 -8.884 869 2HG GLN 106 1HG GLN 106 -1.137 -9.526 -7.452 870 1HE2 GLN 106 1HE2 GLN 106 -2.133 -11.514 -6.429 871 2HE2 GLN 106 2HE2 GLN 106 -2.641 -12.764 -7.508 872 H GLY 107 H GLY 107 -5.364 -6.616 -6.172 873 1HA GLY 107 2HA GLY 107 -7.707 -6.526 -5.654 874 2HA GLY 107 1HA GLY 107 -7.830 -8.220 -6.105 875 H LEU 108 H LEU 108 -5.429 -6.703 -3.995 876 HA LEU 108 HA LEU 108 -6.489 -8.331 -1.777 877 1HB LEU 108 2HB LEU 108 -3.685 -7.828 -2.684 878 2HB LEU 108 1HB LEU 108 -3.997 -8.139 -0.987 879 HG LEU 108 HG LEU 108 -3.317 -10.152 -2.289 880 1HD1 LEU 108 1HD1 LEU 108 -4.522 -11.478 -0.933 881 2HD1 LEU 108 2HD1 LEU 108 -6.062 -10.799 -1.460 882 3HD1 LEU 108 3HD1 LEU 108 -5.087 -9.948 -0.261 883 1HD2 LEU 108 1HD2 LEU 108 -4.660 -11.095 -3.943 884 2HD2 LEU 108 2HD2 LEU 108 -4.676 -9.374 -4.328 885 3HD2 LEU 108 3HD2 LEU 108 -6.055 -10.107 -3.509 886 H ALA 109 H ALA 109 -5.338 -5.220 -2.814 887 HA ALA 109 HA ALA 109 -5.643 -4.194 -0.071 888 1HB ALA 109 1HB ALA 109 -3.560 -3.461 -0.521 889 2HB ALA 109 2HB ALA 109 -4.422 -2.164 -1.349 890 3HB ALA 109 3HB ALA 109 -3.796 -3.532 -2.266 891 H LYS 110 H LYS 110 -7.081 -2.608 0.362 892 HA LYS 110 HA LYS 110 -8.854 -1.796 -1.820 893 1HB LYS 110 2HB LYS 110 -9.942 -2.925 0.042 894 2HB LYS 110 1HB LYS 110 -9.243 -1.779 1.178 895 1HG LYS 110 2HG LYS 110 -10.782 -0.530 -0.956 896 2HG LYS 110 1HG LYS 110 -11.725 -1.606 0.075 897 1HD LYS 110 2HD LYS 110 -9.918 0.131 1.568 898 2HD LYS 110 1HD LYS 110 -11.111 1.021 0.620 899 1HE LYS 110 2HE LYS 110 -12.176 -1.284 2.094 900 2HE LYS 110 1HE LYS 110 -11.542 0.012 3.108 901 1HZ LYS 110 1HZ LYS 110 -13.362 0.661 0.890 902 2HZ LYS 110 2HZ LYS 110 -13.096 1.497 2.336 903 3HZ LYS 110 3HZ LYS 110 -13.997 0.066 2.340 904 H VAL 111 H VAL 111 -9.430 0.387 -2.099 905 HA VAL 111 HA VAL 111 -7.351 2.255 -1.571 906 HB VAL 111 HB VAL 111 -10.148 2.890 -2.513 907 1HG1 VAL 111 1HG1 VAL 111 -8.277 4.642 -1.779 908 2HG1 VAL 111 2HG1 VAL 111 -9.390 4.943 -3.113 909 3HG1 VAL 111 3HG1 VAL 111 -7.756 4.368 -3.441 910 1HG2 VAL 111 1HG2 VAL 111 -7.738 2.010 -4.099 911 2HG2 VAL 111 2HG2 VAL 111 -9.202 2.697 -4.802 912 3HG2 VAL 111 3HG2 VAL 111 -9.275 1.160 -3.940 913 H ALA 112 H ALA 112 -6.989 3.056 0.398 914 HA ALA 112 HA ALA 112 -9.130 3.367 2.315 915 1HB ALA 112 1HB ALA 112 -7.321 2.741 3.513 916 2HB ALA 112 2HB ALA 112 -7.016 4.478 3.551 917 3HB ALA 112 3HB ALA 112 -6.182 3.461 2.375 918 H TYR 113 H TYR 113 -9.233 5.455 3.592 919 HA TYR 113 HA TYR 113 -8.992 7.763 1.777 920 1HB TYR 113 2HB TYR 113 -11.325 6.687 3.123 921 2HB TYR 113 1HB TYR 113 -11.041 8.362 3.587 922 HD1 TYR 113 2HD TYR 113 -10.483 6.631 0.329 923 HD2 TYR 113 1HD TYR 113 -12.628 9.626 2.458 924 HE1 TYR 113 2HE TYR 113 -11.511 7.381 -1.775 925 HE2 TYR 113 1HE TYR 113 -13.663 10.383 0.360 926 HH TYR 113 HH TYR 113 -12.629 9.949 -2.464 927 H VAL 114 H VAL 114 -7.168 8.681 2.581 928 HA VAL 114 HA VAL 114 -6.567 8.865 5.354 929 HB VAL 114 HB VAL 114 -4.820 8.915 3.613 930 1HG1 VAL 114 1HG1 VAL 114 -4.454 11.166 2.477 931 2HG1 VAL 114 2HG1 VAL 114 -6.126 11.528 2.904 932 3HG1 VAL 114 3HG1 VAL 114 -5.761 10.157 1.855 933 1HG2 VAL 114 1HG2 VAL 114 -3.396 10.362 4.741 934 2HG2 VAL 114 2HG2 VAL 114 -4.637 10.015 5.946 935 3HG2 VAL 114 3HG2 VAL 114 -4.675 11.536 5.054 936 H TYR 115 H TYR 115 -6.326 10.879 6.567 937 HA TYR 115 HA TYR 115 -8.683 12.392 6.633 938 1HB TYR 115 2HB TYR 115 -5.982 13.144 7.772 939 2HB TYR 115 1HB TYR 115 -7.538 13.805 8.263 940 HD1 TYR 115 2HD TYR 115 -9.302 11.862 8.930 941 HD2 TYR 115 1HD TYR 115 -5.066 11.557 9.161 942 HE1 TYR 115 2HE TYR 115 -9.528 10.088 10.617 943 HE2 TYR 115 1HE TYR 115 -5.280 9.781 10.849 944 HH TYR 115 HH TYR 115 -7.361 9.195 12.650 945 H LYS 116 H LYS 116 -5.425 13.313 5.529 946 HA LYS 116 HA LYS 116 -6.149 14.640 3.238 947 1HB LYS 116 2HB LYS 116 -6.741 16.199 5.624 948 2HB LYS 116 1HB LYS 116 -5.636 17.041 4.545 949 1HG LYS 116 2HG LYS 116 -7.489 16.136 2.788 950 2HG LYS 116 1HG LYS 116 -8.478 16.412 4.223 951 1HD LYS 116 2HD LYS 116 -7.772 18.698 4.351 952 2HD LYS 116 1HD LYS 116 -6.574 18.450 3.079 953 1HE LYS 116 2HE LYS 116 -8.714 17.702 1.714 954 2HE LYS 116 1HE LYS 116 -9.528 18.738 2.887 955 1HZ LYS 116 1HZ LYS 116 -8.738 19.792 0.728 956 2HZ LYS 116 2HZ LYS 116 -7.176 19.685 1.368 957 3HZ LYS 116 3HZ LYS 116 -8.355 20.599 2.165 958 H GLY 117 H GLY 117 -4.404 15.693 2.208 959 1HA GLY 117 2HA GLY 117 -2.183 16.592 2.204 960 2HA GLY 117 1HA GLY 117 -1.862 15.704 3.686 961 H ASN 118 H ASN 118 -3.128 13.255 2.603 962 HA ASN 118 HA ASN 118 -0.900 12.433 0.866 963 1HB ASN 118 2HB ASN 118 -0.803 11.149 2.844 964 2HB ASN 118 1HB ASN 118 -2.548 10.930 2.892 965 1HD2 ASN 118 1HD2 ASN 118 -0.567 10.544 0.024 966 2HD2 ASN 118 2HD2 ASN 118 -0.791 8.839 -0.130 967 H ASN 119 H ASN 119 -1.758 12.931 -1.120 968 HA ASN 119 HA ASN 119 -3.678 11.051 -2.161 969 1HB ASN 119 2HB ASN 119 -4.358 13.937 -1.762 970 2HB ASN 119 1HB ASN 119 -4.973 13.108 -3.188 971 1HD2 ASN 119 1HD2 ASN 119 -6.596 11.649 -2.985 972 2HD2 ASN 119 2HD2 ASN 119 -7.414 11.323 -1.500 973 H THR 120 H THR 120 -0.919 11.634 -2.618 974 HA THR 120 HA THR 120 -0.744 13.076 -5.117 975 HB THR 120 HB THR 120 1.436 11.358 -3.963 976 HG1 THR 120 1HG THR 120 0.625 13.930 -3.097 977 1HG2 THR 120 1HG2 THR 120 2.144 12.290 -5.977 978 2HG2 THR 120 2HG2 THR 120 2.802 13.359 -4.739 979 3HG2 THR 120 3HG2 THR 120 1.364 13.835 -5.642 980 H HIS 121 H HIS 121 -0.932 9.757 -4.046 981 HA HIS 121 HA HIS 121 -0.530 8.813 -6.795 982 1HB HIS 121 2HB HIS 121 -0.573 7.331 -4.161 983 2HB HIS 121 1HB HIS 121 -0.436 6.543 -5.730 984 HD1 HIS 121 1HD HIS 121 1.864 5.802 -4.283 985 HD2 HIS 121 2HD HIS 121 1.690 9.597 -5.967 986 HE1 HIS 121 1HE HIS 121 4.250 6.581 -4.430 987 HE2 HIS 121 2HE HIS 121 4.112 8.917 -5.365 988 H GLU 122 H GLU 122 -3.010 10.114 -5.573 989 HA GLU 122 HA GLU 122 -5.053 8.228 -5.290 990 1HB GLU 122 2HB GLU 122 -4.967 10.863 -4.968 991 2HB GLU 122 1HB GLU 122 -5.662 10.840 -6.583 992 1HG GLU 122 2HG GLU 122 -7.298 9.095 -5.481 993 2HG GLU 122 1HG GLU 122 -6.813 9.928 -4.005 994 H GLN 123 H GLN 123 -3.360 9.258 -8.087 995 HA GLN 123 HA GLN 123 -5.406 8.616 -9.985 996 1HB GLN 123 2HB GLN 123 -3.529 8.788 -11.652 997 2HB GLN 123 1HB GLN 123 -3.797 10.223 -10.673 998 1HG GLN 123 2HG GLN 123 -1.603 10.186 -10.327 999 2HG GLN 123 1HG GLN 123 -1.929 8.864 -9.209 1000 1HE2 GLN 123 1HE2 GLN 123 -1.888 9.076 -12.748 1001 2HE2 GLN 123 2HE2 GLN 123 -0.741 7.806 -12.983 1002 H LEU 124 H LEU 124 -2.345 7.015 -9.067 1003 HA LEU 124 HA LEU 124 -2.865 4.709 -10.647 1004 1HB LEU 124 2HB LEU 124 -0.984 3.699 -9.393 1005 2HB LEU 124 1HB LEU 124 -0.596 5.256 -10.099 1006 HG LEU 124 HG LEU 124 -1.338 6.061 -7.640 1007 1HD1 LEU 124 1HD1 LEU 124 -1.795 3.914 -6.726 1008 2HD1 LEU 124 2HD1 LEU 124 -0.270 4.463 -6.032 1009 3HD1 LEU 124 3HD1 LEU 124 -0.269 3.266 -7.326 1010 1HD2 LEU 124 1HD2 LEU 124 0.701 6.778 -8.543 1011 2HD2 LEU 124 2HD2 LEU 124 1.326 5.134 -8.667 1012 3HD2 LEU 124 3HD2 LEU 124 1.148 5.892 -7.085 1013 H LEU 125 H LEU 125 -3.528 5.599 -7.324 1014 HA LEU 125 HA LEU 125 -4.181 3.042 -6.344 1015 1HB LEU 125 2HB LEU 125 -5.115 5.786 -5.508 1016 2HB LEU 125 1HB LEU 125 -5.500 4.320 -4.625 1017 HG LEU 125 HG LEU 125 -2.627 4.822 -5.150 1018 1HD1 LEU 125 1HD1 LEU 125 -2.331 6.563 -3.699 1019 2HD1 LEU 125 2HD1 LEU 125 -3.840 6.252 -2.841 1020 3HD1 LEU 125 3HD1 LEU 125 -3.870 7.020 -4.427 1021 1HD2 LEU 125 1HD2 LEU 125 -3.195 2.871 -3.924 1022 2HD2 LEU 125 2HD2 LEU 125 -4.276 3.772 -2.862 1023 3HD2 LEU 125 3HD2 LEU 125 -2.533 4.025 -2.766 1024 H ARG 126 H ARG 126 -6.280 5.637 -7.598 1025 HA ARG 126 HA ARG 126 -8.672 4.150 -7.426 1026 1HB ARG 126 2HB ARG 126 -9.668 5.886 -8.767 1027 2HB ARG 126 1HB ARG 126 -8.558 6.627 -7.621 1028 1HG ARG 126 2HG ARG 126 -6.868 6.791 -9.404 1029 2HG ARG 126 1HG ARG 126 -8.037 6.120 -10.543 1030 1HD ARG 126 2HD ARG 126 -9.503 8.001 -10.224 1031 2HD ARG 126 1HD ARG 126 -8.469 8.640 -8.945 1032 HE ARG 126 HE ARG 126 -6.981 8.368 -11.323 1033 1HH1 ARG 126 1HH1 ARG 126 -9.504 10.330 -9.920 1034 2HH1 ARG 126 2HH1 ARG 126 -9.112 11.729 -10.861 1035 1HH2 ARG 126 1HH2 ARG 126 -6.464 10.208 -12.562 1036 2HH2 ARG 126 2HH2 ARG 126 -7.387 11.660 -12.362 1037 H LYS 127 H LYS 127 -6.201 4.410 -9.888 1038 HA LYS 127 HA LYS 127 -7.655 3.222 -12.004 1039 1HB LYS 127 2HB LYS 127 -4.975 4.164 -11.538 1040 2HB LYS 127 1HB LYS 127 -4.921 2.603 -12.347 1041 1HG LYS 127 2HG LYS 127 -4.963 4.084 -14.112 1042 2HG LYS 127 1HG LYS 127 -6.663 3.642 -13.950 1043 1HD LYS 127 2HD LYS 127 -6.617 5.744 -12.302 1044 2HD LYS 127 1HD LYS 127 -5.299 6.209 -13.380 1045 1HE LYS 127 2HE LYS 127 -8.175 5.673 -14.069 1046 2HE LYS 127 1HE LYS 127 -7.252 7.157 -14.304 1047 1HZ LYS 127 1HZ LYS 127 -7.506 6.030 -16.389 1048 2HZ LYS 127 2HZ LYS 127 -6.877 4.594 -15.755 1049 3HZ LYS 127 3HZ LYS 127 -5.879 5.947 -15.930 1050 H SER 128 H SER 128 -5.283 1.867 -9.720 1051 HA SER 128 HA SER 128 -5.434 -0.781 -10.641 1052 1HB SER 128 2HB SER 128 -4.580 0.452 -8.032 1053 2HB SER 128 1HB SER 128 -4.606 -1.298 -8.243 1054 HG SER 128 HG SER 128 -2.708 -1.004 -9.089 1055 H GLU 129 H GLU 129 -7.398 1.031 -8.384 1056 HA GLU 129 HA GLU 129 -8.792 -1.240 -7.342 1057 1HB GLU 129 2HB GLU 129 -8.549 0.943 -6.145 1058 2HB GLU 129 1HB GLU 129 -9.652 1.657 -7.314 1059 1HG GLU 129 2HG GLU 129 -11.199 -0.334 -6.545 1060 2HG GLU 129 1HG GLU 129 -10.196 -0.239 -5.099 1061 H ALA 130 H ALA 130 -9.537 1.245 -9.761 1062 HA ALA 130 HA ALA 130 -12.136 0.424 -10.378 1063 1HB ALA 130 1HB ALA 130 -10.370 1.508 -12.522 1064 2HB ALA 130 2HB ALA 130 -10.742 2.516 -11.123 1065 3HB ALA 130 3HB ALA 130 -12.047 1.898 -12.137 1066 H GLN 131 H GLN 131 -9.020 -0.593 -11.723 1067 HA GLN 131 HA GLN 131 -10.077 -2.274 -13.733 1068 1HB GLN 131 2HB GLN 131 -7.403 -2.221 -12.336 1069 2HB GLN 131 1HB GLN 131 -7.772 -3.336 -13.645 1070 1HG GLN 131 2HG GLN 131 -8.366 -0.533 -14.239 1071 2HG GLN 131 1HG GLN 131 -6.663 -0.880 -13.950 1072 1HE2 GLN 131 1HE2 GLN 131 -6.673 -0.157 -16.271 1073 2HE2 GLN 131 2HE2 GLN 131 -6.862 -1.385 -17.471 1074 H ALA 132 H ALA 132 -9.066 -2.875 -10.397 1075 HA ALA 132 HA ALA 132 -9.486 -5.688 -10.493 1076 1HB ALA 132 1HB ALA 132 -7.995 -4.830 -8.844 1077 2HB ALA 132 2HB ALA 132 -9.381 -5.512 -7.992 1078 3HB ALA 132 3HB ALA 132 -9.238 -3.765 -8.188 1079 H LYS 133 H LYS 133 -11.510 -2.933 -9.777 1080 HA LYS 133 HA LYS 133 -13.641 -4.436 -8.603 1081 1HB LYS 133 2HB LYS 133 -12.996 -1.804 -8.618 1082 2HB LYS 133 1HB LYS 133 -14.265 -1.826 -9.835 1083 1HG LYS 133 2HG LYS 133 -14.575 -2.961 -7.066 1084 2HG LYS 133 1HG LYS 133 -15.045 -1.323 -7.527 1085 1HD LYS 133 2HD LYS 133 -17.036 -2.220 -8.022 1086 2HD LYS 133 1HD LYS 133 -16.242 -2.858 -9.463 1087 1HE LYS 133 2HE LYS 133 -15.928 -4.965 -8.495 1088 2HE LYS 133 1HE LYS 133 -16.200 -4.354 -6.864 1089 1HZ LYS 133 1HZ LYS 133 -18.453 -4.364 -7.136 1090 2HZ LYS 133 2HZ LYS 133 -18.046 -5.675 -8.125 1091 3HZ LYS 133 3HZ LYS 133 -18.381 -4.168 -8.815 1092 H LYS 134 H LYS 134 -13.196 -2.877 -11.772 1093 HA LYS 134 HA LYS 134 -15.620 -3.663 -12.906 1094 1HB LYS 134 2HB LYS 134 -14.587 -3.210 -15.060 1095 2HB LYS 134 1HB LYS 134 -14.117 -1.981 -13.895 1096 1HG LYS 134 2HG LYS 134 -11.967 -3.114 -13.580 1097 2HG LYS 134 1HG LYS 134 -12.440 -4.321 -14.776 1098 1HD LYS 134 2HD LYS 134 -12.356 -1.377 -15.386 1099 2HD LYS 134 1HD LYS 134 -10.958 -2.431 -15.597 1100 1HE LYS 134 2HE LYS 134 -13.439 -3.440 -16.792 1101 2HE LYS 134 1HE LYS 134 -12.845 -1.939 -17.499 1102 1HZ LYS 134 1HZ LYS 134 -11.760 -3.525 -18.732 1103 2HZ LYS 134 2HZ LYS 134 -11.567 -4.587 -17.429 1104 3HZ LYS 134 3HZ LYS 134 -10.604 -3.203 -17.540 1105 H GLU 135 H GLU 135 -12.504 -5.329 -12.787 1106 HA GLU 135 HA GLU 135 -13.533 -7.577 -14.301 1107 1HB GLU 135 2HB GLU 135 -10.870 -6.798 -13.197 1108 2HB GLU 135 1HB GLU 135 -11.166 -8.488 -13.578 1109 1HG GLU 135 2HG GLU 135 -11.451 -8.049 -15.851 1110 2HG GLU 135 1HG GLU 135 -11.696 -6.324 -15.579 1111 H LYS 136 H LYS 136 -13.254 -6.645 -11.005 1112 HA LYS 136 HA LYS 136 -13.777 -7.688 -9.052 1113 1HB LYS 136 2HB LYS 136 -15.030 -9.872 -10.711 1114 2HB LYS 136 1HB LYS 136 -15.455 -9.377 -9.078 1115 1HG LYS 136 2HG LYS 136 -15.706 -7.173 -10.917 1116 2HG LYS 136 1HG LYS 136 -16.650 -8.563 -11.455 1117 1HD LYS 136 2HD LYS 136 -16.808 -7.827 -8.585 1118 2HD LYS 136 1HD LYS 136 -17.609 -6.764 -9.742 1119 1HE LYS 136 2HE LYS 136 -19.332 -8.186 -9.498 1120 2HE LYS 136 1HE LYS 136 -18.425 -9.187 -10.632 1121 1HZ LYS 136 1HZ LYS 136 -18.309 -9.392 -7.670 1122 2HZ LYS 136 2HZ LYS 136 -17.443 -10.355 -8.758 1123 3HZ LYS 136 3HZ LYS 136 -19.131 -10.453 -8.702 1124 H LEU 137 H LEU 137 -11.281 -8.031 -9.433 1125 HA LEU 137 HA LEU 137 -10.279 -10.592 -9.968 1126 1HB LEU 137 2HB LEU 137 -9.253 -8.158 -8.606 1127 2HB LEU 137 1HB LEU 137 -8.386 -9.659 -8.344 1128 HG LEU 137 HG LEU 137 -8.995 -8.647 -11.110 1129 1HD1 LEU 137 1HD1 LEU 137 -6.468 -8.135 -9.554 1130 2HD1 LEU 137 2HD1 LEU 137 -7.738 -6.937 -9.805 1131 3HD1 LEU 137 3HD1 LEU 137 -6.854 -7.588 -11.186 1132 1HD2 LEU 137 1HD2 LEU 137 -8.167 -11.067 -10.373 1133 2HD2 LEU 137 2HD2 LEU 137 -6.604 -10.249 -10.406 1134 3HD2 LEU 137 3HD2 LEU 137 -7.612 -10.287 -11.854 1135 H ASN 138 H ASN 138 -10.129 -9.126 -6.731 1136 HA ASN 138 HA ASN 138 -11.176 -11.624 -5.603 1137 1HB ASN 138 2HB ASN 138 -8.559 -10.295 -4.934 1138 2HB ASN 138 1HB ASN 138 -9.370 -11.359 -3.789 1139 1HD2 ASN 138 1HD2 ASN 138 -10.317 -13.359 -5.282 1140 2HD2 ASN 138 2HD2 ASN 138 -9.036 -14.193 -6.087 1141 H ILE 139 H ILE 139 -9.710 -8.753 -4.106 1142 HA ILE 139 HA ILE 139 -11.481 -8.486 -2.023 1143 HB ILE 139 HB ILE 139 -10.866 -6.055 -1.988 1144 1HG1 ILE 139 2HG1 ILE 139 -9.296 -6.839 -4.455 1145 2HG1 ILE 139 1HG1 ILE 139 -10.637 -5.701 -4.396 1146 1HG2 ILE 139 1HG2 ILE 139 -9.091 -8.360 -1.813 1147 2HG2 ILE 139 2HG2 ILE 139 -9.328 -7.023 -0.688 1148 3HG2 ILE 139 3HG2 ILE 139 -8.237 -6.838 -2.061 1149 1HD1 ILE 139 1HD1 ILE 139 -9.323 -4.192 -3.031 1150 2HD1 ILE 139 2HD1 ILE 139 -8.471 -4.580 -4.525 1151 3HD1 ILE 139 3HD1 ILE 139 -7.989 -5.345 -3.010 1152 H TRP 140 H TRP 140 -11.778 -7.191 -5.295 1153 HA TRP 140 HA TRP 140 -14.399 -6.069 -4.620 1154 1HB TRP 140 2HB TRP 140 -12.784 -5.774 -7.161 1155 2HB TRP 140 1HB TRP 140 -14.270 -4.914 -6.769 1156 HD1 TRP 140 HD TRP 140 -10.886 -4.069 -7.061 1157 HE1 TRP 140 1HE TRP 140 -10.135 -2.239 -5.412 1158 HE3 TRP 140 3HE TRP 140 -14.758 -4.334 -3.730 1159 HZ2 TRP 140 2HZ TRP 140 -11.062 -1.064 -3.020 1160 HZ3 TRP 140 3HZ TRP 140 -14.750 -2.821 -1.790 1161 HH2 TRP 140 HH TRP 140 -12.940 -1.220 -1.443 1162 H SER 141 H SER 141 -13.996 -8.933 -4.805 1163 HA SER 141 HA SER 141 -15.732 -9.515 -7.115 1164 1HB SER 141 2HB SER 141 -13.385 -10.487 -7.210 1165 2HB SER 141 1HB SER 141 -13.843 -11.495 -5.837 1166 HG SER 141 HG SER 141 -15.439 -12.436 -7.098 1167 H GLU 142 H GLU 142 -16.688 -8.692 -4.581 1168 HA GLU 142 HA GLU 142 -18.448 -10.897 -4.011 1169 1HB GLU 142 2HB GLU 142 -17.943 -10.801 -1.527 1170 2HB GLU 142 1HB GLU 142 -16.743 -11.605 -2.530 1171 1HG GLU 142 2HG GLU 142 -15.348 -10.345 -1.282 1172 2HG GLU 142 1HG GLU 142 -15.690 -9.170 -2.550 1173 H ASP 143 H ASP 143 -18.613 -8.153 -4.975 1174 HA ASP 143 HA ASP 143 -20.023 -6.787 -2.805 1175 1HB ASP 143 2HB ASP 143 -18.287 -5.652 -4.349 1176 2HB ASP 143 1HB ASP 143 -19.568 -5.657 -5.556 1177 H ASN 144 H ASN 144 -21.206 -9.121 -3.909 1178 HA ASN 144 HA ASN 144 -23.822 -8.206 -4.366 1179 1HB ASN 144 2HB ASN 144 -22.235 -8.165 -6.692 1180 2HB ASN 144 1HB ASN 144 -23.271 -9.582 -6.844 1181 1HD2 ASN 144 1HD2 ASN 144 -23.044 -6.326 -7.371 1182 2HD2 ASN 144 2HD2 ASN 144 -24.722 -5.956 -7.554 1183 H ALA 145 H ALA 145 -25.151 -9.774 -3.716 1184 HA ALA 145 HA ALA 145 -24.286 -12.571 -4.007 1185 1HB ALA 145 1HB ALA 145 -25.799 -11.895 -1.560 1186 2HB ALA 145 2HB ALA 145 -24.124 -11.347 -1.629 1187 3HB ALA 145 3HB ALA 145 -24.499 -13.061 -1.808 1188 H ASP 146 H ASP 146 -27.012 -10.417 -3.250 1189 HA ASP 146 HA ASP 146 -28.770 -12.296 -4.685 1190 1HB ASP 146 2HB ASP 146 -29.250 -10.803 -2.118 1191 2HB ASP 146 1HB ASP 146 -30.595 -11.330 -3.126 1192 H SER 147 H SER 147 -30.944 -11.078 -5.207 1193 HA SER 147 HA SER 147 -30.258 -8.422 -6.284 1194 1HB SER 147 2HB SER 147 -32.089 -9.231 -8.072 1195 2HB SER 147 1HB SER 147 -30.366 -9.547 -8.273 1196 HG SER 147 HG SER 147 -32.333 -11.307 -7.236 1197 H GLY 148 H GLY 148 -31.583 -9.068 -3.785 1198 1HA GLY 148 2HA GLY 148 -33.273 -8.012 -2.599 1199 2HA GLY 148 1HA GLY 148 -33.885 -7.361 -4.112 1200 H GLN 149 H GLN 149 -35.522 -8.397 -5.176 1201 HA GLN 149 HA GLN 149 -37.333 -9.742 -5.459 1202 1HB GLN 149 2HB GLN 149 -35.232 -11.601 -4.478 1203 2HB GLN 149 1HB GLN 149 -36.889 -12.189 -4.473 1204 1HG GLN 149 2HG GLN 149 -36.189 -10.884 -6.967 1205 2HG GLN 149 1HG GLN 149 -35.132 -12.244 -6.594 1206 1HE2 GLN 149 1HE2 GLN 149 -38.143 -11.279 -7.776 1207 2HE2 GLN 149 2HE2 GLN 149 -38.870 -12.841 -7.909 Start of MODEL 19 1 1H ALA 1 1HT ALA 1 8.547 13.792 -23.466 2 2H ALA 1 2HT ALA 1 10.205 13.869 -23.032 3 3H ALA 1 3HT ALA 1 9.079 14.954 -22.323 4 HA ALA 1 HA ALA 1 9.203 12.036 -21.976 5 1HB ALA 1 1HB ALA 1 9.981 14.379 -20.283 6 2HB ALA 1 2HB ALA 1 10.896 12.919 -20.655 7 3HB ALA 1 3HB ALA 1 9.527 12.843 -19.546 8 H THR 2 H THR 2 7.379 11.086 -21.336 9 HA THR 2 HA THR 2 5.290 12.662 -20.042 10 HB THR 2 HB THR 2 3.595 11.504 -21.578 11 HG1 THR 2 1HG THR 2 5.934 11.220 -23.156 12 1HG2 THR 2 1HG2 THR 2 4.864 13.946 -21.835 13 2HG2 THR 2 2HG2 THR 2 3.391 13.426 -22.655 14 3HG2 THR 2 3HG2 THR 2 4.956 13.233 -23.445 15 H SER 3 H SER 3 4.386 11.590 -18.404 16 HA SER 3 HA SER 3 3.874 9.931 -16.936 17 1HB SER 3 2HB SER 3 2.563 9.090 -18.881 18 2HB SER 3 1HB SER 3 3.957 8.126 -19.365 19 HG SER 3 HG SER 3 2.068 7.511 -17.607 20 H THR 4 H THR 4 6.597 10.609 -17.238 21 HA THR 4 HA THR 4 7.841 8.049 -16.498 22 HB THR 4 HB THR 4 9.517 10.142 -17.803 23 HG1 THR 4 1HG THR 4 7.830 9.970 -19.259 24 1HG2 THR 4 1HG2 THR 4 9.997 7.578 -16.930 25 2HG2 THR 4 2HG2 THR 4 11.012 8.523 -18.021 26 3HG2 THR 4 3HG2 THR 4 9.820 7.399 -18.675 27 H LYS 5 H LYS 5 6.672 9.943 -14.750 28 HA LYS 5 HA LYS 5 9.072 10.900 -13.332 29 1HB LYS 5 2HB LYS 5 6.361 12.238 -13.335 30 2HB LYS 5 1HB LYS 5 7.804 12.802 -12.505 31 1HG LYS 5 2HG LYS 5 8.818 12.773 -14.927 32 2HG LYS 5 1HG LYS 5 7.120 12.888 -15.396 33 1HD LYS 5 2HD LYS 5 7.168 14.785 -13.514 34 2HD LYS 5 1HD LYS 5 8.856 14.858 -14.022 35 1HE LYS 5 2HE LYS 5 8.014 15.031 -16.392 36 2HE LYS 5 1HE LYS 5 6.399 15.243 -15.717 37 1HZ LYS 5 1HZ LYS 5 8.722 16.987 -15.101 38 2HZ LYS 5 2HZ LYS 5 7.125 17.219 -14.594 39 3HZ LYS 5 3HZ LYS 5 7.519 17.354 -16.233 40 H LYS 6 H LYS 6 9.060 10.736 -11.077 41 HA LYS 6 HA LYS 6 6.838 9.791 -9.588 42 1HB LYS 6 2HB LYS 6 8.690 7.806 -10.748 43 2HB LYS 6 1HB LYS 6 8.354 7.605 -9.033 44 1HG LYS 6 2HG LYS 6 5.867 7.854 -9.788 45 2HG LYS 6 1HG LYS 6 6.512 7.389 -11.363 46 1HD LYS 6 2HD LYS 6 6.005 5.325 -10.506 47 2HD LYS 6 1HD LYS 6 7.674 5.491 -9.955 48 1HE LYS 6 2HE LYS 6 6.826 4.985 -7.939 49 2HE LYS 6 1HE LYS 6 6.323 6.674 -7.918 50 1HZ LYS 6 1HZ LYS 6 4.667 4.361 -8.769 51 2HZ LYS 6 2HZ LYS 6 4.178 5.978 -8.844 52 3HZ LYS 6 3HZ LYS 6 4.483 5.257 -7.345 53 H LEU 7 H LEU 7 7.422 9.321 -7.318 54 HA LEU 7 HA LEU 7 9.408 11.180 -6.412 55 1HB LEU 7 2HB LEU 7 7.318 9.487 -5.169 56 2HB LEU 7 1HB LEU 7 8.676 9.927 -4.150 57 HG LEU 7 HG LEU 7 8.100 12.356 -5.092 58 1HD1 LEU 7 1HD1 LEU 7 5.818 12.723 -5.489 59 2HD1 LEU 7 2HD1 LEU 7 5.374 11.108 -4.939 60 3HD1 LEU 7 3HD1 LEU 7 6.228 11.315 -6.468 61 1HD2 LEU 7 1HD2 LEU 7 6.302 11.363 -2.939 62 2HD2 LEU 7 2HD2 LEU 7 7.300 12.817 -3.001 63 3HD2 LEU 7 3HD2 LEU 7 8.045 11.247 -2.702 64 H HIS 8 H HIS 8 10.643 10.202 -4.286 65 HA HIS 8 HA HIS 8 12.204 7.928 -5.321 66 1HB HIS 8 2HB HIS 8 13.290 10.272 -5.128 67 2HB HIS 8 1HB HIS 8 13.297 9.961 -3.395 68 HD1 HIS 8 1HD HIS 8 15.858 10.225 -5.277 69 HD2 HIS 8 2HD HIS 8 14.185 6.696 -3.856 70 HE1 HIS 8 1HE HIS 8 17.715 8.530 -5.332 71 HE2 HIS 8 2HE HIS 8 16.702 6.425 -4.389 72 H LYS 9 H LYS 9 12.046 6.130 -4.180 73 HA LYS 9 HA LYS 9 10.859 6.151 -1.544 74 1HB LYS 9 2HB LYS 9 11.995 3.732 -2.928 75 2HB LYS 9 1HB LYS 9 10.697 3.806 -1.746 76 1HG LYS 9 2HG LYS 9 9.129 4.345 -3.292 77 2HG LYS 9 1HG LYS 9 10.267 5.232 -4.305 78 1HD LYS 9 2HD LYS 9 10.295 2.234 -4.019 79 2HD LYS 9 1HD LYS 9 9.395 3.079 -5.280 80 1HE LYS 9 2HE LYS 9 12.229 3.840 -4.976 81 2HE LYS 9 1HE LYS 9 11.929 2.207 -5.569 82 1HZ LYS 9 1HZ LYS 9 10.409 3.277 -7.243 83 2HZ LYS 9 2HZ LYS 9 12.059 3.585 -7.453 84 3HZ LYS 9 3HZ LYS 9 11.058 4.769 -6.775 85 H GLU 10 H GLU 10 11.849 5.130 0.322 86 HA GLU 10 HA GLU 10 14.557 4.361 0.402 87 1HB GLU 10 2HB GLU 10 14.937 6.751 -0.071 88 2HB GLU 10 1HB GLU 10 14.025 7.176 1.371 89 1HG GLU 10 2HG GLU 10 15.670 6.257 2.796 90 2HG GLU 10 1HG GLU 10 16.495 5.469 1.452 91 H ALA 11 H ALA 11 14.768 3.119 2.139 92 HA ALA 11 HA ALA 11 13.487 3.861 4.640 93 1HB ALA 11 1HB ALA 11 12.421 1.663 4.926 94 2HB ALA 11 2HB ALA 11 12.887 1.237 3.281 95 3HB ALA 11 3HB ALA 11 11.754 2.554 3.560 96 H ALA 12 H ALA 12 14.535 0.590 3.873 97 HA ALA 12 HA ALA 12 17.203 0.591 4.363 98 1HB ALA 12 1HB ALA 12 16.667 -0.142 7.021 99 2HB ALA 12 2HB ALA 12 15.826 1.385 6.755 100 3HB ALA 12 3HB ALA 12 17.558 1.269 6.450 101 H THR 13 H THR 13 14.949 -1.124 6.506 102 HA THR 13 HA THR 13 14.912 -3.458 4.804 103 HB THR 13 HB THR 13 16.409 -3.481 7.430 104 HG1 THR 13 1HG THR 13 17.940 -3.148 6.023 105 1HG2 THR 13 1HG2 THR 13 15.728 -5.574 7.716 106 2HG2 THR 13 2HG2 THR 13 16.717 -5.973 6.311 107 3HG2 THR 13 3HG2 THR 13 14.995 -5.645 6.113 108 H LEU 14 H LEU 14 13.305 -4.921 5.363 109 HA LEU 14 HA LEU 14 11.400 -3.910 7.334 110 1HB LEU 14 2HB LEU 14 10.338 -4.226 5.276 111 2HB LEU 14 1HB LEU 14 11.180 -5.731 4.966 112 HG LEU 14 HG LEU 14 9.370 -5.721 7.306 113 1HD1 LEU 14 1HD1 LEU 14 7.718 -4.737 6.127 114 2HD1 LEU 14 2HD1 LEU 14 7.570 -6.343 5.414 115 3HD1 LEU 14 3HD1 LEU 14 8.472 -5.084 4.571 116 1HD2 LEU 14 1HD2 LEU 14 9.827 -7.650 5.033 117 2HD2 LEU 14 2HD2 LEU 14 8.884 -7.962 6.491 118 3HD2 LEU 14 3HD2 LEU 14 10.626 -7.702 6.604 119 H ILE 15 H ILE 15 10.937 -4.947 9.178 120 HA ILE 15 HA ILE 15 12.516 -7.259 9.891 121 HB ILE 15 HB ILE 15 10.462 -5.714 11.484 122 1HG1 ILE 15 2HG1 ILE 15 12.793 -5.217 12.710 123 2HG1 ILE 15 1HG1 ILE 15 13.398 -5.479 11.078 124 1HG2 ILE 15 1HG2 ILE 15 11.760 -6.906 13.405 125 2HG2 ILE 15 2HG2 ILE 15 12.159 -8.080 12.153 126 3HG2 ILE 15 3HG2 ILE 15 10.472 -7.758 12.555 127 1HD1 ILE 15 1HD1 ILE 15 12.629 -3.097 11.988 128 2HD1 ILE 15 2HD1 ILE 15 11.086 -3.668 11.350 129 3HD1 ILE 15 3HD1 ILE 15 12.495 -3.570 10.294 130 H LYS 16 H LYS 16 9.031 -6.499 9.716 131 HA LYS 16 HA LYS 16 8.304 -8.953 8.577 132 1HB LYS 16 2HB LYS 16 9.005 -9.851 10.780 133 2HB LYS 16 1HB LYS 16 7.806 -8.827 11.556 134 1HG LYS 16 2HG LYS 16 6.491 -10.625 11.421 135 2HG LYS 16 1HG LYS 16 6.281 -10.150 9.736 136 1HD LYS 16 2HD LYS 16 8.581 -11.571 9.579 137 2HD LYS 16 1HD LYS 16 7.766 -12.411 10.900 138 1HE LYS 16 2HE LYS 16 6.926 -13.565 9.112 139 2HE LYS 16 1HE LYS 16 5.711 -12.296 9.259 140 1HZ LYS 16 1HZ LYS 16 7.989 -11.680 7.567 141 2HZ LYS 16 2HZ LYS 16 6.348 -11.344 7.338 142 3HZ LYS 16 3HZ LYS 16 6.951 -12.884 6.986 143 H ALA 17 H ALA 17 6.125 -9.043 8.051 144 HA ALA 17 HA ALA 17 4.708 -6.540 8.289 145 1HB ALA 17 1HB ALA 17 3.083 -7.524 6.781 146 2HB ALA 17 2HB ALA 17 3.843 -9.107 6.963 147 3HB ALA 17 3HB ALA 17 4.718 -7.793 6.175 148 H ILE 18 H ILE 18 2.573 -6.312 9.131 149 HA ILE 18 HA ILE 18 1.981 -8.231 11.286 150 HB ILE 18 HB ILE 18 1.058 -5.364 11.160 151 1HG1 ILE 18 2HG1 ILE 18 3.356 -6.426 12.805 152 2HG1 ILE 18 1HG1 ILE 18 3.584 -5.655 11.239 153 1HG2 ILE 18 1HG2 ILE 18 1.359 -6.844 13.700 154 2HG2 ILE 18 2HG2 ILE 18 0.043 -7.345 12.638 155 3HG2 ILE 18 3HG2 ILE 18 0.134 -5.677 13.202 156 1HD1 ILE 18 1HD1 ILE 18 3.677 -4.353 13.582 157 2HD1 ILE 18 2HD1 ILE 18 1.972 -4.143 13.178 158 3HD1 ILE 18 3HD1 ILE 18 3.219 -3.597 12.057 159 H ASP 19 H ASP 19 0.298 -5.923 9.138 160 HA ASP 19 HA ASP 19 -1.781 -7.940 8.713 161 1HB ASP 19 2HB ASP 19 -2.224 -5.963 10.511 162 2HB ASP 19 1HB ASP 19 -2.778 -5.174 9.037 163 H GLY 20 H GLY 20 -0.026 -7.639 6.807 164 1HA GLY 20 2HA GLY 20 0.162 -7.215 4.557 165 2HA GLY 20 1HA GLY 20 -1.510 -6.681 4.599 166 H ASP 21 H ASP 21 -1.800 -4.449 5.645 167 HA ASP 21 HA ASP 21 -0.063 -2.624 4.237 168 1HB ASP 21 2HB ASP 21 -1.643 -0.888 5.206 169 2HB ASP 21 1HB ASP 21 -2.378 -2.084 4.142 170 H THR 22 H THR 22 -0.581 -3.710 7.500 171 HA THR 22 HA THR 22 1.215 -1.650 8.541 172 HB THR 22 HB THR 22 -0.099 -3.752 10.231 173 HG1 THR 22 1HG THR 22 -1.945 -2.516 10.325 174 1HG2 THR 22 1HG2 THR 22 -0.355 -1.385 11.526 175 2HG2 THR 22 2HG2 THR 22 1.173 -1.159 10.677 176 3HG2 THR 22 3HG2 THR 22 0.964 -2.531 11.765 177 H VAL 23 H VAL 23 3.291 -2.176 8.225 178 HA VAL 23 HA VAL 23 4.167 -4.837 9.124 179 HB VAL 23 HB VAL 23 5.807 -4.935 7.312 180 1HG1 VAL 23 1HG1 VAL 23 3.212 -5.571 7.133 181 2HG1 VAL 23 2HG1 VAL 23 4.363 -5.847 5.826 182 3HG1 VAL 23 3HG1 VAL 23 3.322 -4.425 5.798 183 1HG2 VAL 23 1HG2 VAL 23 6.023 -2.473 7.019 184 2HG2 VAL 23 2HG2 VAL 23 4.468 -2.479 6.187 185 3HG2 VAL 23 3HG2 VAL 23 5.837 -3.356 5.504 186 H LYS 24 H LYS 24 6.217 -4.949 10.056 187 HA LYS 24 HA LYS 24 7.147 -2.450 11.187 188 1HB LYS 24 2HB LYS 24 7.299 -5.262 11.878 189 2HB LYS 24 1HB LYS 24 8.879 -4.499 11.992 190 1HG LYS 24 2HG LYS 24 7.371 -2.660 13.257 191 2HG LYS 24 1HG LYS 24 6.472 -4.129 13.639 192 1HD LYS 24 2HD LYS 24 8.090 -4.914 14.995 193 2HD LYS 24 1HD LYS 24 9.384 -4.359 13.932 194 1HE LYS 24 2HE LYS 24 9.744 -2.942 15.669 195 2HE LYS 24 1HE LYS 24 8.540 -1.990 14.800 196 1HZ LYS 24 1HZ LYS 24 7.608 -3.926 16.793 197 2HZ LYS 24 2HZ LYS 24 6.940 -2.440 16.339 198 3HZ LYS 24 3HZ LYS 24 8.299 -2.483 17.346 199 H LEU 25 H LEU 25 8.392 -1.244 9.905 200 HA LEU 25 HA LEU 25 10.504 -2.577 8.346 201 1HB LEU 25 2HB LEU 25 8.541 -0.779 7.526 202 2HB LEU 25 1HB LEU 25 10.001 0.188 7.626 203 HG LEU 25 HG LEU 25 9.830 -2.393 6.077 204 1HD1 LEU 25 1HD1 LEU 25 8.931 0.315 5.404 205 2HD1 LEU 25 2HD1 LEU 25 8.507 -1.239 4.684 206 3HD1 LEU 25 3HD1 LEU 25 10.000 -0.427 4.212 207 1HD2 LEU 25 1HD2 LEU 25 11.970 -2.047 5.473 208 2HD2 LEU 25 2HD2 LEU 25 12.032 -1.081 6.948 209 3HD2 LEU 25 3HD2 LEU 25 11.773 -0.296 5.390 210 H MET 26 H MET 26 12.539 -2.220 8.874 211 HA MET 26 HA MET 26 13.190 -0.478 11.058 212 1HB MET 26 2HB MET 26 14.296 -2.780 9.995 213 2HB MET 26 1HB MET 26 15.452 -1.535 9.540 214 1HG MET 26 2HG MET 26 15.770 -0.899 11.817 215 2HG MET 26 1HG MET 26 14.452 -1.943 12.346 216 1HE MET 26 1HE MET 26 15.847 -3.836 14.073 217 2HE MET 26 2HE MET 26 15.837 -5.209 12.967 218 3HE MET 26 3HE MET 26 14.500 -4.058 12.957 219 H TYR 27 H TYR 27 12.916 1.631 10.494 220 HA TYR 27 HA TYR 27 14.322 2.622 8.115 221 1HB TYR 27 2HB TYR 27 11.948 3.213 8.284 222 2HB TYR 27 1HB TYR 27 12.234 3.957 9.854 223 HD1 TYR 27 1HD TYR 27 13.552 6.053 10.005 224 HD2 TYR 27 2HD TYR 27 12.446 4.370 6.258 225 HE1 TYR 27 1HE TYR 27 14.034 8.200 8.906 226 HE2 TYR 27 2HE TYR 27 12.926 6.511 5.148 227 HH TYR 27 HH TYR 27 12.961 9.175 6.223 228 H LYS 28 H LYS 28 15.816 4.276 8.238 229 HA LYS 28 HA LYS 28 17.685 5.238 9.120 230 1HB LYS 28 2HB LYS 28 17.229 7.064 10.499 231 2HB LYS 28 1HB LYS 28 15.716 6.789 9.652 232 1HG LYS 28 2HG LYS 28 14.645 6.620 11.580 233 2HG LYS 28 1HG LYS 28 15.683 5.283 12.069 234 1HD LYS 28 2HD LYS 28 17.391 7.099 12.684 235 2HD LYS 28 1HD LYS 28 16.027 8.214 12.589 236 1HE LYS 28 2HE LYS 28 14.902 7.169 14.356 237 2HE LYS 28 1HE LYS 28 15.893 5.715 14.241 238 1HZ LYS 28 1HZ LYS 28 16.487 8.273 15.524 239 2HZ LYS 28 2HZ LYS 28 17.778 7.443 14.810 240 3HZ LYS 28 3HZ LYS 28 16.862 6.700 16.023 241 H GLY 29 H GLY 29 17.136 2.515 10.112 242 1HA GLY 29 2HA GLY 29 18.462 1.149 11.455 243 2HA GLY 29 1HA GLY 29 19.049 2.578 12.287 244 H GLN 30 H GLN 30 15.621 2.265 12.012 245 HA GLN 30 HA GLN 30 15.459 1.044 14.670 246 1HB GLN 30 2HB GLN 30 14.017 2.734 15.545 247 2HB GLN 30 1HB GLN 30 15.439 3.539 14.901 248 1HG GLN 30 2HG GLN 30 14.267 4.375 13.054 249 2HG GLN 30 1HG GLN 30 12.916 3.271 13.303 250 1HE2 GLN 30 1HE2 GLN 30 14.598 5.246 15.689 251 2HE2 GLN 30 2HE2 GLN 30 13.230 6.209 16.121 252 H ALA 31 H ALA 31 13.812 -0.342 14.928 253 HA ALA 31 HA ALA 31 12.219 -1.016 12.635 254 1HB ALA 31 1HB ALA 31 12.077 -2.169 15.415 255 2HB ALA 31 2HB ALA 31 13.191 -2.713 14.162 256 3HB ALA 31 3HB ALA 31 11.451 -2.887 13.932 257 H MET 32 H MET 32 10.704 0.520 12.202 258 HA MET 32 HA MET 32 8.790 1.156 14.348 259 1HB MET 32 2HB MET 32 8.273 3.208 13.151 260 2HB MET 32 1HB MET 32 10.000 3.114 13.461 261 1HG MET 32 2HG MET 32 10.290 2.262 11.132 262 2HG MET 32 1HG MET 32 8.582 2.605 10.860 263 1HE MET 32 1HE MET 32 7.583 5.107 11.455 264 2HE MET 32 2HE MET 32 7.858 4.729 9.755 265 3HE MET 32 3HE MET 32 8.328 6.304 10.395 266 H THR 33 H THR 33 6.550 1.238 13.807 267 HA THR 33 HA THR 33 5.789 -0.820 11.944 268 HB THR 33 HB THR 33 3.876 0.968 13.424 269 HG1 THR 33 1HG THR 33 5.236 0.312 15.021 270 1HG2 THR 33 1HG2 THR 33 2.489 -0.444 12.370 271 2HG2 THR 33 2HG2 THR 33 2.927 -1.528 13.690 272 3HG2 THR 33 3HG2 THR 33 3.737 -1.665 12.129 273 H PHE 34 H PHE 34 5.654 -0.399 9.847 274 HA PHE 34 HA PHE 34 4.875 2.270 8.942 275 1HB PHE 34 2HB PHE 34 6.304 -0.042 7.710 276 2HB PHE 34 1HB PHE 34 5.430 1.054 6.646 277 HD1 PHE 34 2HD PHE 34 8.194 0.763 9.043 278 HD2 PHE 34 1HD PHE 34 6.215 3.267 6.229 279 HE1 PHE 34 2HE PHE 34 10.103 2.313 9.086 280 HE2 PHE 34 1HE PHE 34 8.120 4.823 6.266 281 HZ PHE 34 HZ PHE 34 10.068 4.347 7.697 282 H ARG 35 H ARG 35 3.036 2.692 7.815 283 HA ARG 35 HA ARG 35 1.196 0.429 7.397 284 1HB ARG 35 2HB ARG 35 0.781 3.106 8.606 285 2HB ARG 35 1HB ARG 35 -0.513 2.491 7.586 286 1HG ARG 35 2HG ARG 35 0.460 0.504 9.468 287 2HG ARG 35 1HG ARG 35 -0.148 1.958 10.261 288 1HD ARG 35 2HD ARG 35 -2.207 1.745 8.831 289 2HD ARG 35 1HD ARG 35 -1.602 0.169 8.322 290 HE ARG 35 HE ARG 35 -1.668 0.338 11.146 291 1HH1 ARG 35 1HH1 ARG 35 -3.760 -0.016 8.375 292 2HH1 ARG 35 2HH1 ARG 35 -4.984 -0.871 9.252 293 1HH2 ARG 35 1HH2 ARG 35 -3.277 -0.786 12.300 294 2HH2 ARG 35 2HH2 ARG 35 -4.711 -1.308 11.481 295 H LEU 36 H LEU 36 0.519 0.106 5.374 296 HA LEU 36 HA LEU 36 1.491 1.540 3.190 297 1HB LEU 36 2HB LEU 36 -0.144 -0.731 3.636 298 2HB LEU 36 1HB LEU 36 -0.986 0.298 2.498 299 HG LEU 36 HG LEU 36 1.781 -0.857 2.187 300 1HD1 LEU 36 1HD1 LEU 36 0.582 -1.740 0.061 301 2HD1 LEU 36 2HD1 LEU 36 -0.890 -1.426 0.981 302 3HD1 LEU 36 3HD1 LEU 36 0.319 -2.546 1.609 303 1HD2 LEU 36 1HD2 LEU 36 0.303 1.165 0.523 304 2HD2 LEU 36 2HD2 LEU 36 1.642 0.202 -0.100 305 3HD2 LEU 36 3HD2 LEU 36 1.904 1.309 1.248 306 H LEU 37 H LEU 37 1.119 3.615 2.824 307 HA LEU 37 HA LEU 37 -1.088 5.077 3.742 308 1HB LEU 37 2HB LEU 37 1.230 5.886 2.992 309 2HB LEU 37 1HB LEU 37 0.571 5.869 1.368 310 HG LEU 37 HG LEU 37 -0.944 7.358 3.452 311 1HD1 LEU 37 1HD1 LEU 37 1.159 8.901 2.092 312 2HD1 LEU 37 2HD1 LEU 37 1.713 7.813 3.366 313 3HD1 LEU 37 3HD1 LEU 37 0.510 9.052 3.724 314 1HD2 LEU 37 1HD2 LEU 37 -1.782 8.527 1.676 315 2HD2 LEU 37 2HD2 LEU 37 -1.427 6.990 0.886 316 3HD2 LEU 37 3HD2 LEU 37 -0.311 8.345 0.719 317 H LEU 38 H LEU 38 -2.974 5.717 2.850 318 HA LEU 38 HA LEU 38 -4.873 5.489 1.611 319 1HB LEU 38 2HB LEU 38 -2.709 6.085 -0.354 320 2HB LEU 38 1HB LEU 38 -4.323 5.741 -0.947 321 HG LEU 38 HG LEU 38 -3.533 7.980 0.916 322 1HD1 LEU 38 1HD1 LEU 38 -2.956 8.783 -1.137 323 2HD1 LEU 38 2HD1 LEU 38 -4.667 9.212 -1.125 324 3HD1 LEU 38 3HD1 LEU 38 -4.126 7.773 -1.986 325 1HD2 LEU 38 1HD2 LEU 38 -5.632 7.695 1.691 326 2HD2 LEU 38 2HD2 LEU 38 -6.144 6.769 0.281 327 3HD2 LEU 38 3HD2 LEU 38 -6.072 8.530 0.201 328 H VAL 39 H VAL 39 -3.440 2.976 2.239 329 HA VAL 39 HA VAL 39 -4.793 1.305 0.247 330 HB VAL 39 HB VAL 39 -2.010 0.678 1.221 331 1HG1 VAL 39 1HG1 VAL 39 -2.085 -1.028 -0.563 332 2HG1 VAL 39 2HG1 VAL 39 -3.774 -0.608 -0.852 333 3HG1 VAL 39 3HG1 VAL 39 -3.288 -1.292 0.699 334 1HG2 VAL 39 1HG2 VAL 39 -1.227 2.092 -0.299 335 2HG2 VAL 39 2HG2 VAL 39 -2.850 2.429 -0.904 336 3HG2 VAL 39 3HG2 VAL 39 -1.941 1.061 -1.538 337 H ASP 40 H ASP 40 -5.564 -0.656 1.045 338 HA ASP 40 HA ASP 40 -5.162 -1.149 3.915 339 1HB ASP 40 2HB ASP 40 -7.523 -0.160 2.820 340 2HB ASP 40 1HB ASP 40 -7.832 -1.883 3.015 341 H THR 41 H THR 41 -4.110 -3.012 3.994 342 HA THR 41 HA THR 41 -4.943 -5.182 2.189 343 HB THR 41 HB THR 41 -2.346 -5.167 3.691 344 HG1 THR 41 1HG THR 41 -2.962 -3.764 1.320 345 1HG2 THR 41 1HG2 THR 41 -3.401 -6.519 1.259 346 2HG2 THR 41 2HG2 THR 41 -2.515 -7.190 2.629 347 3HG2 THR 41 3HG2 THR 41 -1.671 -6.227 1.417 348 H ALA 42 H ALA 42 -6.631 -5.922 3.492 349 HA ALA 42 HA ALA 42 -7.568 -7.335 5.011 350 1HB ALA 42 1HB ALA 42 -4.737 -7.942 5.860 351 2HB ALA 42 2HB ALA 42 -5.631 -8.781 4.593 352 3HB ALA 42 3HB ALA 42 -6.176 -8.876 6.266 353 H GLU 43 H GLU 43 -8.461 -7.088 6.993 354 HA GLU 43 HA GLU 43 -7.226 -5.977 9.250 355 1HB GLU 43 2HB GLU 43 -7.247 -3.928 7.825 356 2HB GLU 43 1HB GLU 43 -9.002 -4.022 7.778 357 1HG GLU 43 2HG GLU 43 -8.813 -2.571 9.489 358 2HG GLU 43 1HG GLU 43 -8.659 -4.061 10.420 359 H THR 44 H THR 44 -8.749 -8.154 8.999 360 HA THR 44 HA THR 44 -11.520 -7.667 9.531 361 HB THR 44 HB THR 44 -11.077 -10.238 10.369 362 HG1 THR 44 1HG THR 44 -9.297 -9.861 8.211 363 1HG2 THR 44 1HG2 THR 44 -12.682 -10.217 8.799 364 2HG2 THR 44 2HG2 THR 44 -11.349 -10.699 7.749 365 3HG2 THR 44 3HG2 THR 44 -11.857 -9.012 7.812 366 H LYS 45 H LYS 45 -11.877 -6.493 11.345 367 HA LYS 45 HA LYS 45 -10.574 -7.302 13.836 368 1HB LYS 45 2HB LYS 45 -11.568 -5.212 14.752 369 2HB LYS 45 1HB LYS 45 -10.493 -4.939 13.388 370 1HG LYS 45 2HG LYS 45 -12.095 -3.814 12.366 371 2HG LYS 45 1HG LYS 45 -13.090 -5.270 12.338 372 1HD LYS 45 2HD LYS 45 -13.775 -4.666 14.710 373 2HD LYS 45 1HD LYS 45 -13.029 -3.095 14.416 374 1HE LYS 45 2HE LYS 45 -14.585 -3.385 12.200 375 2HE LYS 45 1HE LYS 45 -15.557 -4.206 13.421 376 1HZ LYS 45 1HZ LYS 45 -15.271 -2.171 14.816 377 2HZ LYS 45 2HZ LYS 45 -16.191 -1.941 13.417 378 3HZ LYS 45 3HZ LYS 45 -14.588 -1.404 13.472 379 H HIS 46 H HIS 46 -12.793 -8.786 12.454 380 HA HIS 46 HA HIS 46 -14.739 -8.744 14.666 381 1HB HIS 46 2HB HIS 46 -15.189 -8.470 11.897 382 2HB HIS 46 1HB HIS 46 -15.758 -10.080 12.324 383 HD1 HIS 46 1HD HIS 46 -16.702 -9.138 15.258 384 HD2 HIS 46 2HD HIS 46 -17.767 -7.453 11.612 385 HE1 HIS 46 1HE HIS 46 -18.886 -7.962 15.673 386 HE2 HIS 46 2HE HIS 46 -19.463 -6.872 13.476 387 H THR 47 H THR 47 -12.659 -10.687 12.653 388 HA THR 47 HA THR 47 -11.847 -12.796 12.910 389 HB THR 47 HB THR 47 -13.355 -13.251 15.443 390 HG1 THR 47 1HG THR 47 -11.232 -11.398 15.149 391 1HG2 THR 47 1HG2 THR 47 -11.750 -14.924 14.708 392 2HG2 THR 47 2HG2 THR 47 -11.237 -14.159 16.211 393 3HG2 THR 47 3HG2 THR 47 -10.479 -13.702 14.686 394 H LYS 48 H LYS 48 -13.342 -13.154 11.086 395 HA LYS 48 HA LYS 48 -15.749 -14.671 11.753 396 1HB LYS 48 2HB LYS 48 -14.752 -13.867 9.019 397 2HB LYS 48 1HB LYS 48 -16.359 -14.444 9.436 398 1HG LYS 48 2HG LYS 48 -16.916 -12.446 10.527 399 2HG LYS 48 1HG LYS 48 -15.233 -11.918 10.597 400 1HD LYS 48 2HD LYS 48 -15.288 -11.886 8.061 401 2HD LYS 48 1HD LYS 48 -17.039 -12.068 8.195 402 1HE LYS 48 2HE LYS 48 -15.421 -9.845 9.434 403 2HE LYS 48 1HE LYS 48 -16.336 -9.716 7.934 404 1HZ LYS 48 1HZ LYS 48 -17.774 -10.653 10.295 405 2HZ LYS 48 2HZ LYS 48 -18.302 -9.663 9.028 406 3HZ LYS 48 3HZ LYS 48 -17.340 -9.018 10.261 407 H LYS 49 H LYS 49 -12.843 -15.007 9.726 408 HA LYS 49 HA LYS 49 -12.330 -17.658 10.479 409 1HB LYS 49 2HB LYS 49 -12.863 -18.659 8.153 410 2HB LYS 49 1HB LYS 49 -14.171 -18.474 9.312 411 1HG LYS 49 2HG LYS 49 -15.309 -17.314 7.815 412 2HG LYS 49 1HG LYS 49 -14.050 -16.078 7.831 413 1HD LYS 49 2HD LYS 49 -13.173 -16.767 5.875 414 2HD LYS 49 1HD LYS 49 -13.423 -18.474 6.247 415 1HE LYS 49 2HE LYS 49 -14.931 -18.238 4.553 416 2HE LYS 49 1HE LYS 49 -15.959 -17.801 5.917 417 1HZ LYS 49 1HZ LYS 49 -15.031 -15.425 5.358 418 2HZ LYS 49 2HZ LYS 49 -16.361 -16.061 4.530 419 3HZ LYS 49 3HZ LYS 49 -14.828 -16.101 3.820 420 H GLY 50 H GLY 50 -12.091 -15.224 7.937 421 1HA GLY 50 2HA GLY 50 -9.814 -14.345 7.563 422 2HA GLY 50 1HA GLY 50 -9.263 -16.013 7.585 423 H VAL 51 H VAL 51 -12.216 -15.037 5.984 424 HA VAL 51 HA VAL 51 -10.947 -14.927 3.380 425 HB VAL 51 HB VAL 51 -13.053 -17.027 3.882 426 1HG1 VAL 51 1HG1 VAL 51 -11.732 -15.927 1.516 427 2HG1 VAL 51 2HG1 VAL 51 -13.243 -16.827 1.659 428 3HG1 VAL 51 3HG1 VAL 51 -11.706 -17.689 1.595 429 1HG2 VAL 51 1HG2 VAL 51 -11.191 -18.661 3.556 430 2HG2 VAL 51 2HG2 VAL 51 -11.095 -17.741 5.058 431 3HG2 VAL 51 3HG2 VAL 51 -10.058 -17.317 3.697 432 H GLU 52 H GLU 52 -12.581 -13.183 5.112 433 HA GLU 52 HA GLU 52 -15.151 -13.005 3.795 434 1HB GLU 52 2HB GLU 52 -15.583 -11.147 5.295 435 2HB GLU 52 1HB GLU 52 -14.926 -12.505 6.198 436 1HG GLU 52 2HG GLU 52 -13.274 -11.257 6.966 437 2HG GLU 52 1HG GLU 52 -12.790 -10.816 5.330 438 H LYS 53 H LYS 53 -12.011 -11.830 3.236 439 HA LYS 53 HA LYS 53 -12.740 -10.475 0.883 440 1HB LYS 53 2HB LYS 53 -12.118 -8.165 1.553 441 2HB LYS 53 1HB LYS 53 -13.591 -8.739 2.323 442 1HG LYS 53 2HG LYS 53 -12.645 -7.931 4.185 443 2HG LYS 53 1HG LYS 53 -11.749 -9.451 4.170 444 1HD LYS 53 2HD LYS 53 -9.820 -8.460 3.383 445 2HD LYS 53 1HD LYS 53 -10.690 -7.110 2.647 446 1HE LYS 53 2HE LYS 53 -10.446 -7.543 5.620 447 2HE LYS 53 1HE LYS 53 -9.360 -6.517 4.683 448 1HZ LYS 53 1HZ LYS 53 -11.310 -5.207 4.002 449 2HZ LYS 53 2HZ LYS 53 -11.072 -5.184 5.676 450 3HZ LYS 53 3HZ LYS 53 -12.289 -6.151 5.010 451 H TYR 54 H TYR 54 -10.855 -12.424 1.715 452 HA TYR 54 HA TYR 54 -8.691 -13.030 1.372 453 1HB TYR 54 2HB TYR 54 -8.738 -10.453 -0.199 454 2HB TYR 54 1HB TYR 54 -7.336 -11.518 -0.152 455 HD1 TYR 54 1HD TYR 54 -10.886 -11.298 -1.172 456 HD2 TYR 54 2HD TYR 54 -7.245 -13.478 -1.478 457 HE1 TYR 54 1HE TYR 54 -11.845 -12.630 -3.004 458 HE2 TYR 54 2HE TYR 54 -8.193 -14.815 -3.312 459 HH TYR 54 HH TYR 54 -10.528 -14.067 -5.120 460 H GLY 55 H GLY 55 -9.283 -11.769 3.808 461 1HA GLY 55 2HA GLY 55 -7.377 -9.739 4.429 462 2HA GLY 55 1HA GLY 55 -8.308 -10.677 5.586 463 H ALA 56 H ALA 56 -7.379 -13.249 4.683 464 HA ALA 56 HA ALA 56 -4.924 -13.347 6.171 465 1HB ALA 56 1HB ALA 56 -6.026 -15.251 6.657 466 2HB ALA 56 2HB ALA 56 -5.192 -15.859 5.227 467 3HB ALA 56 3HB ALA 56 -6.858 -15.293 5.103 468 H GLU 57 H GLU 57 -5.845 -13.438 2.805 469 HA GLU 57 HA GLU 57 -3.269 -14.351 1.890 470 1HB GLU 57 2HB GLU 57 -5.361 -14.854 0.662 471 2HB GLU 57 1HB GLU 57 -5.551 -13.139 0.321 472 1HG GLU 57 2HG GLU 57 -4.453 -13.537 -1.564 473 2HG GLU 57 1HG GLU 57 -3.006 -13.669 -0.567 474 H ALA 58 H ALA 58 -4.834 -11.303 2.476 475 HA ALA 58 HA ALA 58 -3.238 -9.634 0.882 476 1HB ALA 58 1HB ALA 58 -5.329 -9.300 2.705 477 2HB ALA 58 2HB ALA 58 -4.581 -8.061 1.698 478 3HB ALA 58 3HB ALA 58 -3.996 -8.337 3.340 479 H SER 59 H SER 59 -2.865 -10.698 4.244 480 HA SER 59 HA SER 59 -0.502 -9.218 4.749 481 1HB SER 59 2HB SER 59 -2.217 -10.585 6.329 482 2HB SER 59 1HB SER 59 -0.903 -11.756 6.227 483 HG SER 59 HG SER 59 0.495 -9.938 6.830 484 H ALA 60 H ALA 60 -1.122 -12.448 3.500 485 HA ALA 60 HA ALA 60 1.521 -13.418 3.628 486 1HB ALA 60 1HB ALA 60 0.495 -14.756 1.506 487 2HB ALA 60 2HB ALA 60 -0.980 -14.215 2.307 488 3HB ALA 60 3HB ALA 60 0.198 -15.184 3.191 489 H PHE 61 H PHE 61 -0.274 -11.814 1.018 490 HA PHE 61 HA PHE 61 1.695 -11.896 -0.950 491 1HB PHE 61 2HB PHE 61 -0.628 -11.229 -1.382 492 2HB PHE 61 1HB PHE 61 -0.382 -9.749 -0.461 493 HD1 PHE 61 2HD PHE 61 1.523 -8.192 -1.310 494 HD2 PHE 61 1HD PHE 61 -0.328 -11.216 -3.662 495 HE1 PHE 61 2HE PHE 61 2.263 -7.047 -3.357 496 HE2 PHE 61 1HE PHE 61 0.409 -10.076 -5.715 497 HZ PHE 61 HZ PHE 61 1.705 -7.988 -5.563 498 H THR 62 H THR 62 1.059 -9.397 1.493 499 HA THR 62 HA THR 62 3.273 -7.773 0.696 500 HB THR 62 HB THR 62 1.648 -7.744 3.248 501 HG1 THR 62 1HG THR 62 0.339 -6.370 2.233 502 1HG2 THR 62 1HG2 THR 62 2.501 -5.172 2.688 503 2HG2 THR 62 2HG2 THR 62 3.930 -6.176 2.444 504 3HG2 THR 62 3HG2 THR 62 3.074 -6.221 3.984 505 H LYS 63 H LYS 63 2.748 -10.307 3.042 506 HA LYS 63 HA LYS 63 5.145 -9.900 4.518 507 1HB LYS 63 2HB LYS 63 3.343 -11.067 5.566 508 2HB LYS 63 1HB LYS 63 3.260 -12.241 4.263 509 1HG LYS 63 2HG LYS 63 5.880 -12.347 5.325 510 2HG LYS 63 1HG LYS 63 4.754 -12.348 6.682 511 1HD LYS 63 2HD LYS 63 4.350 -14.501 6.307 512 2HD LYS 63 1HD LYS 63 3.675 -14.080 4.732 513 1HE LYS 63 2HE LYS 63 5.499 -14.789 3.624 514 2HE LYS 63 1HE LYS 63 6.608 -14.144 4.834 515 1HZ LYS 63 1HZ LYS 63 5.528 -16.163 6.182 516 2HZ LYS 63 2HZ LYS 63 6.932 -16.316 5.252 517 3HZ LYS 63 3HZ LYS 63 5.441 -16.793 4.613 518 H LYS 64 H LYS 64 4.252 -12.069 1.854 519 HA LYS 64 HA LYS 64 6.829 -13.320 1.763 520 1HB LYS 64 2HB LYS 64 6.003 -14.379 -0.297 521 2HB LYS 64 1HB LYS 64 4.851 -14.531 1.023 522 1HG LYS 64 2HG LYS 64 3.310 -13.757 -0.366 523 2HG LYS 64 1HG LYS 64 4.110 -12.188 -0.263 524 1HD LYS 64 2HD LYS 64 4.970 -12.355 -2.335 525 2HD LYS 64 1HD LYS 64 5.344 -14.071 -2.147 526 1HE LYS 64 2HE LYS 64 2.625 -14.113 -2.213 527 2HE LYS 64 1HE LYS 64 2.977 -12.763 -3.291 528 1HZ LYS 64 1HZ LYS 64 3.851 -15.579 -3.546 529 2HZ LYS 64 2HZ LYS 64 4.584 -14.329 -4.420 530 3HZ LYS 64 3HZ LYS 64 2.942 -14.661 -4.639 531 H MET 65 H MET 65 5.284 -10.631 0.135 532 HA MET 65 HA MET 65 7.241 -10.351 -1.915 533 1HB MET 65 2HB MET 65 4.950 -9.450 -2.111 534 2HB MET 65 1HB MET 65 5.302 -8.304 -0.824 535 1HG MET 65 2HG MET 65 5.793 -6.917 -2.502 536 2HG MET 65 1HG MET 65 7.328 -7.782 -2.539 537 1HE MET 65 1HE MET 65 7.659 -6.840 -4.887 538 2HE MET 65 2HE MET 65 7.292 -7.893 -6.253 539 3HE MET 65 3HE MET 65 8.244 -8.503 -4.900 540 H VAL 66 H VAL 66 6.886 -9.101 1.338 541 HA VAL 66 HA VAL 66 9.108 -7.263 1.038 542 HB VAL 66 HB VAL 66 8.743 -6.694 3.379 543 1HG1 VAL 66 1HG1 VAL 66 6.408 -6.763 1.518 544 2HG1 VAL 66 2HG1 VAL 66 7.383 -5.392 2.047 545 3HG1 VAL 66 3HG1 VAL 66 6.212 -6.119 3.148 546 1HG2 VAL 66 1HG2 VAL 66 6.983 -9.108 3.313 547 2HG2 VAL 66 2HG2 VAL 66 6.617 -7.788 4.424 548 3HG2 VAL 66 3HG2 VAL 66 8.171 -8.617 4.520 549 H GLU 67 H GLU 67 8.449 -10.367 2.577 550 HA GLU 67 HA GLU 67 10.966 -10.552 3.899 551 1HB GLU 67 2HB GLU 67 8.795 -12.534 3.262 552 2HB GLU 67 1HB GLU 67 10.303 -13.041 4.009 553 1HG GLU 67 2HG GLU 67 8.623 -10.854 5.182 554 2HG GLU 67 1HG GLU 67 8.315 -12.555 5.530 555 H ASN 68 H ASN 68 9.824 -11.341 0.710 556 HA ASN 68 HA ASN 68 12.245 -12.858 0.105 557 1HB ASN 68 2HB ASN 68 9.852 -13.505 -0.645 558 2HB ASN 68 1HB ASN 68 10.057 -12.252 -1.865 559 1HD2 ASN 68 1HD2 ASN 68 11.225 -15.322 -0.685 560 2HD2 ASN 68 2HD2 ASN 68 12.044 -15.788 -2.133 561 H ALA 69 H ALA 69 10.804 -9.747 -0.449 562 HA ALA 69 HA ALA 69 12.190 -8.908 -2.714 563 1HB ALA 69 1HB ALA 69 11.925 -6.581 -1.585 564 2HB ALA 69 2HB ALA 69 10.986 -7.472 -0.388 565 3HB ALA 69 3HB ALA 69 10.493 -7.481 -2.081 566 H LYS 70 H LYS 70 13.147 -8.859 0.684 567 HA LYS 70 HA LYS 70 15.195 -8.794 1.668 568 1HB LYS 70 2HB LYS 70 15.981 -9.173 -1.167 569 2HB LYS 70 1HB LYS 70 17.210 -8.543 -0.083 570 1HG LYS 70 2HG LYS 70 17.347 -10.476 1.111 571 2HG LYS 70 1HG LYS 70 15.669 -10.921 0.794 572 1HD LYS 70 2HD LYS 70 16.354 -11.316 -1.604 573 2HD LYS 70 1HD LYS 70 18.026 -11.141 -1.068 574 1HE LYS 70 2HE LYS 70 18.065 -13.190 -0.172 575 2HE LYS 70 1HE LYS 70 16.483 -12.984 0.581 576 1HZ LYS 70 1HZ LYS 70 16.055 -14.632 -0.923 577 2HZ LYS 70 2HZ LYS 70 17.156 -14.052 -2.068 578 3HZ LYS 70 3HZ LYS 70 15.666 -13.278 -1.861 579 H LYS 71 H LYS 71 14.259 -6.420 -0.668 580 HA LYS 71 HA LYS 71 15.691 -4.391 0.893 581 1HB LYS 71 2HB LYS 71 16.946 -4.713 -1.173 582 2HB LYS 71 1HB LYS 71 15.482 -4.504 -2.123 583 1HG LYS 71 2HG LYS 71 15.639 -2.209 -0.561 584 2HG LYS 71 1HG LYS 71 17.297 -2.525 -1.073 585 1HD LYS 71 2HD LYS 71 16.108 -2.919 -3.408 586 2HD LYS 71 1HD LYS 71 14.897 -1.853 -2.695 587 1HE LYS 71 2HE LYS 71 16.610 -0.170 -2.274 588 2HE LYS 71 1HE LYS 71 17.841 -1.241 -2.944 589 1HZ LYS 71 1HZ LYS 71 16.592 0.622 -4.362 590 2HZ LYS 71 2HZ LYS 71 15.565 -0.687 -4.662 591 3HZ LYS 71 3HZ LYS 71 17.209 -0.798 -5.044 592 H ILE 72 H ILE 72 14.275 -3.014 1.743 593 HA ILE 72 HA ILE 72 11.783 -2.487 0.262 594 HB ILE 72 HB ILE 72 12.061 -2.495 3.265 595 1HG1 ILE 72 2HG1 ILE 72 10.560 -4.584 2.985 596 2HG1 ILE 72 1HG1 ILE 72 11.162 -4.619 1.331 597 1HG2 ILE 72 1HG2 ILE 72 9.608 -2.426 1.513 598 2HG2 ILE 72 2HG2 ILE 72 10.308 -1.031 2.333 599 3HG2 ILE 72 3HG2 ILE 72 9.646 -2.367 3.274 600 1HD1 ILE 72 1HD1 ILE 72 13.199 -4.407 3.447 601 2HD1 ILE 72 2HD1 ILE 72 13.201 -5.339 1.950 602 3HD1 ILE 72 3HD1 ILE 72 12.315 -5.929 3.356 603 H GLU 73 H GLU 73 11.098 -0.436 0.059 604 HA GLU 73 HA GLU 73 12.603 1.693 1.419 605 1HB GLU 73 2HB GLU 73 12.011 1.407 -1.515 606 2HB GLU 73 1HB GLU 73 12.252 2.993 -0.796 607 1HG GLU 73 2HG GLU 73 14.310 2.231 -1.762 608 2HG GLU 73 1HG GLU 73 14.469 2.270 -0.008 609 H VAL 74 H VAL 74 11.410 3.565 1.901 610 HA VAL 74 HA VAL 74 8.505 3.311 1.485 611 HB VAL 74 HB VAL 74 8.131 4.387 3.627 612 1HG1 VAL 74 1HG1 VAL 74 9.994 2.324 4.539 613 2HG1 VAL 74 2HG1 VAL 74 8.916 1.804 3.244 614 3HG1 VAL 74 3HG1 VAL 74 8.246 2.448 4.744 615 1HG2 VAL 74 1HG2 VAL 74 11.101 4.252 4.108 616 2HG2 VAL 74 2HG2 VAL 74 9.871 4.960 5.152 617 3HG2 VAL 74 3HG2 VAL 74 10.256 5.715 3.606 618 H GLU 75 H GLU 75 7.303 5.184 1.161 619 HA GLU 75 HA GLU 75 8.814 7.660 0.695 620 1HB GLU 75 2HB GLU 75 8.370 6.364 -1.449 621 2HB GLU 75 1HB GLU 75 6.662 6.684 -1.181 622 1HG GLU 75 2HG GLU 75 8.474 9.014 -1.110 623 2HG GLU 75 1HG GLU 75 8.227 8.240 -2.675 624 H PHE 76 H PHE 76 7.977 9.167 1.976 625 HA PHE 76 HA PHE 76 5.212 8.938 2.867 626 1HB PHE 76 2HB PHE 76 7.562 10.584 3.768 627 2HB PHE 76 1HB PHE 76 5.930 10.950 4.317 628 HD1 PHE 76 1HD PHE 76 8.580 8.385 4.315 629 HD2 PHE 76 2HD PHE 76 4.876 9.651 5.987 630 HE1 PHE 76 1HE PHE 76 8.798 6.683 6.078 631 HE2 PHE 76 2HE PHE 76 5.088 7.951 7.753 632 HZ PHE 76 HZ PHE 76 7.051 6.465 7.799 633 H ASP 77 H ASP 77 3.666 10.548 2.625 634 HA ASP 77 HA ASP 77 4.071 12.249 0.290 635 1HB ASP 77 2HB ASP 77 1.918 10.721 1.207 636 2HB ASP 77 1HB ASP 77 1.425 12.390 1.482 637 H LYS 78 H LYS 78 2.225 14.247 0.774 638 HA LYS 78 HA LYS 78 3.749 15.958 2.531 639 1HB LYS 78 2HB LYS 78 2.332 17.750 1.699 640 2HB LYS 78 1HB LYS 78 2.928 16.779 0.361 641 1HG LYS 78 2HG LYS 78 0.323 15.959 1.450 642 2HG LYS 78 1HG LYS 78 0.361 17.538 0.663 643 1HD LYS 78 2HD LYS 78 1.754 15.396 -0.788 644 2HD LYS 78 1HD LYS 78 0.010 15.175 -0.632 645 1HE LYS 78 2HE LYS 78 -0.041 16.449 -2.493 646 2HE LYS 78 1HE LYS 78 0.091 17.770 -1.334 647 1HZ LYS 78 1HZ LYS 78 2.081 16.722 -3.191 648 2HZ LYS 78 2HZ LYS 78 2.647 17.253 -1.688 649 3HZ LYS 78 3HZ LYS 78 1.797 18.314 -2.693 650 H GLY 79 H GLY 79 0.858 14.090 2.715 651 1HA GLY 79 2HA GLY 79 -0.571 15.538 4.651 652 2HA GLY 79 1HA GLY 79 -0.698 13.808 4.376 653 H GLN 80 H GLN 80 -0.887 13.337 6.569 654 HA GLN 80 HA GLN 80 1.221 14.157 8.385 655 1HB GLN 80 2HB GLN 80 -0.111 12.809 10.050 656 2HB GLN 80 1HB GLN 80 -0.962 14.166 9.325 657 1HG GLN 80 2HG GLN 80 -1.363 11.774 7.779 658 2HG GLN 80 1HG GLN 80 -1.799 11.511 9.467 659 1HE2 GLN 80 1HE2 GLN 80 -3.837 11.903 9.897 660 2HE2 GLN 80 2HE2 GLN 80 -4.847 13.065 9.110 661 H ARG 81 H ARG 81 2.533 12.699 9.568 662 HA ARG 81 HA ARG 81 3.397 10.428 7.992 663 1HB ARG 81 2HB ARG 81 4.897 12.156 9.201 664 2HB ARG 81 1HB ARG 81 4.542 11.231 10.653 665 1HG ARG 81 2HG ARG 81 5.430 9.210 9.512 666 2HG ARG 81 1HG ARG 81 5.904 10.240 8.160 667 1HD ARG 81 2HD ARG 81 7.755 10.874 9.213 668 2HD ARG 81 1HD ARG 81 6.839 11.355 10.640 669 HE ARG 81 HE ARG 81 8.290 8.897 10.247 670 1HH1 ARG 81 1HH1 ARG 81 5.755 10.486 12.047 671 2HH1 ARG 81 2HH1 ARG 81 5.862 9.403 13.394 672 1HH2 ARG 81 1HH2 ARG 81 8.430 7.472 12.018 673 2HH2 ARG 81 2HH2 ARG 81 7.381 7.693 13.378 674 H THR 82 H THR 82 1.585 11.046 10.879 675 HA THR 82 HA THR 82 1.219 8.154 11.237 676 HB THR 82 HB THR 82 1.435 8.274 13.582 677 HG1 THR 82 1HG THR 82 1.257 10.084 14.727 678 1HG2 THR 82 1HG2 THR 82 3.597 8.915 12.081 679 2HG2 THR 82 2HG2 THR 82 3.628 8.616 13.819 680 3HG2 THR 82 3HG2 THR 82 3.541 10.268 13.210 681 H ASP 83 H ASP 83 -0.835 7.857 10.634 682 HA ASP 83 HA ASP 83 -2.855 9.845 10.853 683 1HB ASP 83 2HB ASP 83 -2.841 8.051 9.132 684 2HB ASP 83 1HB ASP 83 -3.194 6.878 10.396 685 H LYS 84 H LYS 84 -2.245 10.099 13.252 686 HA LYS 84 HA LYS 84 -2.734 9.853 15.472 687 1HB LYS 84 2HB LYS 84 -4.975 10.456 14.147 688 2HB LYS 84 1HB LYS 84 -5.468 8.900 14.800 689 1HG LYS 84 2HG LYS 84 -5.961 9.880 16.718 690 2HG LYS 84 1HG LYS 84 -4.265 10.330 16.911 691 1HD LYS 84 2HD LYS 84 -4.641 12.473 16.332 692 2HD LYS 84 1HD LYS 84 -5.783 12.032 15.061 693 1HE LYS 84 2HE LYS 84 -7.217 13.046 16.515 694 2HE LYS 84 1HE LYS 84 -7.292 11.399 17.139 695 1HZ LYS 84 1HZ LYS 84 -6.840 12.436 19.067 696 2HZ LYS 84 2HZ LYS 84 -6.126 13.779 18.327 697 3HZ LYS 84 3HZ LYS 84 -5.238 12.353 18.527 698 H TYR 85 H TYR 85 -1.706 7.452 14.129 699 HA TYR 85 HA TYR 85 -2.804 5.441 15.980 700 1HB TYR 85 2HB TYR 85 -2.642 5.346 13.109 701 2HB TYR 85 1HB TYR 85 -1.639 4.075 13.800 702 HD1 TYR 85 2HD TYR 85 -5.008 5.558 14.489 703 HD2 TYR 85 1HD TYR 85 -2.676 2.035 13.989 704 HE1 TYR 85 2HE TYR 85 -7.014 4.184 14.860 705 HE2 TYR 85 1HE TYR 85 -4.676 0.652 14.357 706 HH TYR 85 HH TYR 85 -7.787 1.851 14.246 707 H GLY 86 H GLY 86 -0.342 7.352 15.822 708 1HA GLY 86 2HA GLY 86 1.859 7.288 16.467 709 2HA GLY 86 1HA GLY 86 1.413 5.830 17.340 710 H ARG 87 H ARG 87 1.013 5.886 13.906 711 HA ARG 87 HA ARG 87 3.384 4.159 13.633 712 1HB ARG 87 2HB ARG 87 0.620 3.939 12.566 713 2HB ARG 87 1HB ARG 87 1.928 3.423 11.510 714 1HG ARG 87 2HG ARG 87 1.908 1.467 12.544 715 2HG ARG 87 1HG ARG 87 2.486 2.279 14.000 716 1HD ARG 87 2HD ARG 87 0.447 2.251 14.986 717 2HD ARG 87 1HD ARG 87 -0.412 2.464 13.461 718 HE ARG 87 HE ARG 87 0.577 -0.058 13.294 719 1HH1 ARG 87 1HH1 ARG 87 -1.362 1.621 15.660 720 2HH1 ARG 87 2HH1 ARG 87 -2.196 0.194 16.173 721 1HH2 ARG 87 1HH2 ARG 87 -0.519 -1.938 13.968 722 2HH2 ARG 87 2HH2 ARG 87 -1.718 -1.827 15.213 723 H GLY 88 H GLY 88 4.086 4.040 11.231 724 1HA GLY 88 2HA GLY 88 4.240 6.816 10.238 725 2HA GLY 88 1HA GLY 88 5.518 5.622 10.053 726 H LEU 89 H LEU 89 2.209 6.422 9.062 727 HA LEU 89 HA LEU 89 1.945 4.438 7.107 728 1HB LEU 89 2HB LEU 89 0.226 5.939 6.097 729 2HB LEU 89 1HB LEU 89 -0.006 5.595 7.800 730 HG LEU 89 HG LEU 89 1.050 7.832 8.296 731 1HD1 LEU 89 1HD1 LEU 89 1.255 7.806 5.377 732 2HD1 LEU 89 2HD1 LEU 89 2.153 8.743 6.571 733 3HD1 LEU 89 3HD1 LEU 89 0.561 9.285 6.041 734 1HD2 LEU 89 1HD2 LEU 89 -1.005 8.748 8.358 735 2HD2 LEU 89 2HD2 LEU 89 -1.523 7.155 7.804 736 3HD2 LEU 89 3HD2 LEU 89 -1.299 8.462 6.642 737 H ALA 90 H ALA 90 2.339 4.376 4.923 738 HA ALA 90 HA ALA 90 3.198 6.420 3.270 739 1HB ALA 90 1HB ALA 90 5.693 5.728 3.181 740 2HB ALA 90 2HB ALA 90 5.414 5.130 4.817 741 3HB ALA 90 3HB ALA 90 5.157 6.835 4.444 742 H TYR 91 H TYR 91 4.328 5.567 1.270 743 HA TYR 91 HA TYR 91 3.055 3.098 0.510 744 1HB TYR 91 2HB TYR 91 4.951 4.830 -1.090 745 2HB TYR 91 1HB TYR 91 3.889 3.578 -1.724 746 HD1 TYR 91 2HD TYR 91 1.310 3.985 -0.854 747 HD2 TYR 91 1HD TYR 91 4.262 6.978 -1.510 748 HE1 TYR 91 2HE TYR 91 -0.464 5.655 -1.179 749 HE2 TYR 91 1HE TYR 91 2.494 8.657 -1.835 750 HH TYR 91 HH TYR 91 -0.791 7.815 -2.234 751 H ILE 92 H ILE 92 3.959 1.133 0.299 752 HA ILE 92 HA ILE 92 6.765 0.860 1.101 753 HB ILE 92 HB ILE 92 4.693 -1.319 0.852 754 1HG1 ILE 92 2HG1 ILE 92 4.085 0.446 2.526 755 2HG1 ILE 92 1HG1 ILE 92 4.337 -1.149 3.226 756 1HG2 ILE 92 1HG2 ILE 92 6.333 -2.739 1.317 757 2HG2 ILE 92 2HG2 ILE 92 6.778 -1.816 2.752 758 3HG2 ILE 92 3HG2 ILE 92 7.482 -1.408 1.187 759 1HD1 ILE 92 1HD1 ILE 92 6.027 -0.443 4.494 760 2HD1 ILE 92 2HD1 ILE 92 5.420 1.175 4.143 761 3HD1 ILE 92 3HD1 ILE 92 6.740 0.502 3.186 762 H TYR 93 H TYR 93 8.295 -0.026 -0.179 763 HA TYR 93 HA TYR 93 7.471 -1.106 -2.784 764 1HB TYR 93 2HB TYR 93 9.801 0.778 -2.371 765 2HB TYR 93 1HB TYR 93 9.259 0.096 -3.901 766 HD1 TYR 93 2HD TYR 93 8.298 2.400 -1.161 767 HD2 TYR 93 1HD TYR 93 7.556 1.144 -5.159 768 HE1 TYR 93 2HE TYR 93 6.824 4.339 -1.490 769 HE2 TYR 93 1HE TYR 93 6.080 3.082 -5.498 770 HH TYR 93 HH TYR 93 4.660 4.710 -3.366 771 H ALA 94 H ALA 94 8.316 -3.043 -3.168 772 HA ALA 94 HA ALA 94 10.612 -3.908 -1.548 773 1HB ALA 94 1HB ALA 94 9.497 -5.794 -1.194 774 2HB ALA 94 2HB ALA 94 9.349 -6.077 -2.929 775 3HB ALA 94 3HB ALA 94 8.132 -5.122 -2.083 776 H ASP 95 H ASP 95 12.508 -4.159 -2.498 777 HA ASP 95 HA ASP 95 14.102 -4.059 -4.146 778 1HB ASP 95 2HB ASP 95 13.310 -6.497 -3.916 779 2HB ASP 95 1HB ASP 95 12.493 -6.237 -5.455 780 H GLY 96 H GLY 96 12.227 -2.083 -4.648 781 1HA GLY 96 2HA GLY 96 11.897 -0.575 -6.377 782 2HA GLY 96 1HA GLY 96 12.597 -1.742 -7.485 783 H LYS 97 H LYS 97 10.023 -2.870 -5.497 784 HA LYS 97 HA LYS 97 8.175 -2.626 -7.778 785 1HB LYS 97 2HB LYS 97 8.851 -4.934 -7.509 786 2HB LYS 97 1HB LYS 97 8.477 -4.886 -5.793 787 1HG LYS 97 2HG LYS 97 6.671 -6.003 -6.711 788 2HG LYS 97 1HG LYS 97 6.082 -4.350 -6.535 789 1HD LYS 97 2HD LYS 97 5.405 -4.849 -8.683 790 2HD LYS 97 1HD LYS 97 6.966 -4.082 -8.979 791 1HE LYS 97 2HE LYS 97 6.877 -7.029 -8.574 792 2HE LYS 97 1HE LYS 97 6.321 -6.374 -10.113 793 1HZ LYS 97 1HZ LYS 97 9.004 -6.505 -9.014 794 2HZ LYS 97 2HZ LYS 97 8.619 -5.068 -9.819 795 3HZ LYS 97 3HZ LYS 97 8.490 -6.549 -10.626 796 H MET 98 H MET 98 6.149 -1.889 -7.394 797 HA MET 98 HA MET 98 5.653 -0.640 -4.850 798 1HB MET 98 2HB MET 98 4.941 -0.041 -7.418 799 2HB MET 98 1HB MET 98 3.447 -0.730 -6.795 800 1HG MET 98 2HG MET 98 3.095 0.977 -5.349 801 2HG MET 98 1HG MET 98 4.814 1.284 -5.114 802 1HE MET 98 1HE MET 98 2.759 4.470 -6.672 803 2HE MET 98 2HE MET 98 3.022 3.605 -5.158 804 3HE MET 98 3HE MET 98 1.780 3.056 -6.282 805 H VAL 99 H VAL 99 4.817 -1.686 -3.181 806 HA VAL 99 HA VAL 99 3.521 -4.217 -3.438 807 HB VAL 99 HB VAL 99 3.579 -2.454 -0.989 808 1HG1 VAL 99 1HG1 VAL 99 2.815 -4.218 0.184 809 2HG1 VAL 99 2HG1 VAL 99 3.737 -5.382 -0.769 810 3HG1 VAL 99 3HG1 VAL 99 2.207 -4.754 -1.382 811 1HG2 VAL 99 1HG2 VAL 99 5.564 -4.225 -0.562 812 2HG2 VAL 99 2HG2 VAL 99 5.819 -2.613 -1.232 813 3HG2 VAL 99 3HG2 VAL 99 5.712 -4.008 -2.307 814 H ASN 100 H ASN 100 2.435 -0.918 -2.784 815 HA ASN 100 HA ASN 100 -0.226 -1.488 -2.132 816 1HB ASN 100 2HB ASN 100 -0.648 0.886 -2.965 817 2HB ASN 100 1HB ASN 100 0.543 0.703 -1.681 818 1HD2 ASN 100 1HD2 ASN 100 2.703 1.065 -2.121 819 2HD2 ASN 100 2HD2 ASN 100 3.235 1.850 -3.565 820 H GLU 101 H GLU 101 1.201 -0.646 -5.283 821 HA GLU 101 HA GLU 101 -1.211 -0.862 -6.736 822 1HB GLU 101 2HB GLU 101 1.664 -1.077 -7.640 823 2HB GLU 101 1HB GLU 101 0.291 -0.997 -8.734 824 1HG GLU 101 2HG GLU 101 0.303 1.147 -6.769 825 2HG GLU 101 1HG GLU 101 1.739 1.133 -7.791 826 H ALA 102 H ALA 102 1.455 -3.148 -6.213 827 HA ALA 102 HA ALA 102 0.546 -5.217 -7.839 828 1HB ALA 102 1HB ALA 102 2.764 -4.922 -6.501 829 2HB ALA 102 2HB ALA 102 2.152 -6.537 -6.854 830 3HB ALA 102 3HB ALA 102 1.908 -5.832 -5.257 831 H LEU 103 H LEU 103 -0.206 -4.517 -4.444 832 HA LEU 103 HA LEU 103 -1.753 -6.846 -4.004 833 1HB LEU 103 2HB LEU 103 -1.599 -4.186 -2.611 834 2HB LEU 103 1HB LEU 103 -2.710 -5.438 -2.089 835 HG LEU 103 HG LEU 103 0.181 -6.123 -2.366 836 1HD1 LEU 103 1HD1 LEU 103 0.082 -3.968 -1.133 837 2HD1 LEU 103 2HD1 LEU 103 0.690 -5.315 -0.169 838 3HD1 LEU 103 3HD1 LEU 103 -0.964 -4.746 0.055 839 1HD2 LEU 103 1HD2 LEU 103 -0.419 -7.517 -0.370 840 2HD2 LEU 103 2HD2 LEU 103 -1.284 -7.925 -1.852 841 3HD2 LEU 103 3HD2 LEU 103 -2.089 -6.992 -0.590 842 H VAL 104 H VAL 104 -2.733 -3.476 -4.642 843 HA VAL 104 HA VAL 104 -5.492 -4.008 -4.781 844 HB VAL 104 HB VAL 104 -4.029 -1.776 -6.188 845 1HG1 VAL 104 1HG1 VAL 104 -6.351 -2.056 -6.882 846 2HG1 VAL 104 2HG1 VAL 104 -6.143 -0.571 -5.954 847 3HG1 VAL 104 3HG1 VAL 104 -6.870 -1.989 -5.199 848 1HG2 VAL 104 1HG2 VAL 104 -3.867 -2.265 -3.520 849 2HG2 VAL 104 2HG2 VAL 104 -5.289 -1.224 -3.595 850 3HG2 VAL 104 3HG2 VAL 104 -3.750 -0.666 -4.253 851 H ARG 105 H ARG 105 -3.001 -3.806 -7.302 852 HA ARG 105 HA ARG 105 -4.688 -4.127 -9.516 853 1HB ARG 105 2HB ARG 105 -1.780 -4.738 -9.051 854 2HB ARG 105 1HB ARG 105 -2.551 -5.106 -10.588 855 1HG ARG 105 2HG ARG 105 -3.288 -2.487 -10.085 856 2HG ARG 105 1HG ARG 105 -1.613 -2.575 -9.539 857 1HD ARG 105 2HD ARG 105 -0.811 -3.049 -11.634 858 2HD ARG 105 1HD ARG 105 -2.318 -3.799 -12.158 859 HE ARG 105 HE ARG 105 -3.057 -1.750 -12.867 860 1HH1 ARG 105 1HH1 ARG 105 -0.269 -1.304 -10.816 861 2HH1 ARG 105 2HH1 ARG 105 -0.123 0.384 -11.169 862 1HH2 ARG 105 1HH2 ARG 105 -2.867 0.471 -13.333 863 2HH2 ARG 105 2HH2 ARG 105 -1.598 1.393 -12.597 864 H GLN 106 H GLN 106 -3.344 -6.429 -7.266 865 HA GLN 106 HA GLN 106 -4.192 -8.709 -8.854 866 1HB GLN 106 2HB GLN 106 -2.591 -8.305 -6.380 867 2HB GLN 106 1HB GLN 106 -3.436 -9.838 -6.548 868 1HG GLN 106 2HG GLN 106 -1.991 -9.059 -8.952 869 2HG GLN 106 1HG GLN 106 -0.953 -9.245 -7.541 870 1HE2 GLN 106 1HE2 GLN 106 -1.279 -11.278 -6.293 871 2HE2 GLN 106 2HE2 GLN 106 -1.576 -12.726 -7.188 872 H GLY 107 H GLY 107 -5.328 -6.770 -6.214 873 1HA GLY 107 2HA GLY 107 -7.636 -6.730 -5.621 874 2HA GLY 107 1HA GLY 107 -7.763 -8.410 -6.123 875 H LEU 108 H LEU 108 -5.378 -6.903 -3.979 876 HA LEU 108 HA LEU 108 -6.395 -8.616 -1.807 877 1HB LEU 108 2HB LEU 108 -3.618 -8.132 -2.769 878 2HB LEU 108 1HB LEU 108 -3.870 -8.397 -1.054 879 HG LEU 108 HG LEU 108 -4.856 -10.571 -1.489 880 1HD1 LEU 108 1HD1 LEU 108 -5.969 -10.693 -3.438 881 2HD1 LEU 108 2HD1 LEU 108 -4.419 -11.256 -4.063 882 3HD1 LEU 108 3HD1 LEU 108 -4.884 -9.565 -4.252 883 1HD2 LEU 108 1HD2 LEU 108 -2.844 -11.630 -2.673 884 2HD2 LEU 108 2HD2 LEU 108 -2.547 -10.727 -1.186 885 3HD2 LEU 108 3HD2 LEU 108 -2.199 -9.989 -2.750 886 H ALA 109 H ALA 109 -5.300 -5.468 -2.767 887 HA ALA 109 HA ALA 109 -5.867 -4.500 -0.046 888 1HB ALA 109 1HB ALA 109 -4.117 -2.849 -0.238 889 2HB ALA 109 2HB ALA 109 -3.741 -3.390 -1.874 890 3HB ALA 109 3HB ALA 109 -3.441 -4.457 -0.501 891 H LYS 110 H LYS 110 -7.108 -2.695 0.126 892 HA LYS 110 HA LYS 110 -8.246 -1.663 -2.378 893 1HB LYS 110 2HB LYS 110 -10.143 -0.920 -1.005 894 2HB LYS 110 1HB LYS 110 -9.862 -2.647 -0.835 895 1HG LYS 110 2HG LYS 110 -9.759 -2.410 1.357 896 2HG LYS 110 1HG LYS 110 -8.360 -1.349 1.175 897 1HD LYS 110 2HD LYS 110 -9.623 0.565 1.326 898 2HD LYS 110 1HD LYS 110 -11.084 -0.224 0.731 899 1HE LYS 110 2HE LYS 110 -11.647 -1.041 2.788 900 2HE LYS 110 1HE LYS 110 -9.970 -1.137 3.328 901 1HZ LYS 110 1HZ LYS 110 -11.066 1.525 2.848 902 2HZ LYS 110 2HZ LYS 110 -9.978 1.001 4.032 903 3HZ LYS 110 3HZ LYS 110 -11.633 0.699 4.211 904 H VAL 111 H VAL 111 -9.292 0.714 -1.612 905 HA VAL 111 HA VAL 111 -6.884 2.322 -1.237 906 HB VAL 111 HB VAL 111 -9.643 3.284 -1.988 907 1HG1 VAL 111 1HG1 VAL 111 -8.373 5.113 -1.243 908 2HG1 VAL 111 2HG1 VAL 111 -8.239 5.154 -3.001 909 3HG1 VAL 111 3HG1 VAL 111 -6.908 4.525 -2.029 910 1HG2 VAL 111 1HG2 VAL 111 -8.782 1.605 -3.594 911 2HG2 VAL 111 2HG2 VAL 111 -7.355 2.613 -3.835 912 3HG2 VAL 111 3HG2 VAL 111 -8.948 3.215 -4.296 913 H ALA 112 H ALA 112 -6.415 2.721 0.833 914 HA ALA 112 HA ALA 112 -8.207 2.753 2.978 915 1HB ALA 112 1HB ALA 112 -5.715 4.403 3.051 916 2HB ALA 112 2HB ALA 112 -5.601 2.647 2.922 917 3HB ALA 112 3HB ALA 112 -6.421 3.379 4.301 918 H TYR 113 H TYR 113 -7.735 5.091 4.391 919 HA TYR 113 HA TYR 113 -8.679 7.300 2.739 920 1HB TYR 113 2HB TYR 113 -10.580 5.781 3.888 921 2HB TYR 113 1HB TYR 113 -10.240 6.873 5.227 922 HD1 TYR 113 1HD TYR 113 -10.825 7.062 1.535 923 HD2 TYR 113 2HD TYR 113 -11.525 8.780 5.364 924 HE1 TYR 113 1HE TYR 113 -12.265 8.766 0.501 925 HE2 TYR 113 2HE TYR 113 -12.968 10.488 4.341 926 HH TYR 113 HH TYR 113 -13.339 11.537 2.190 927 H VAL 114 H VAL 114 -6.891 8.512 3.204 928 HA VAL 114 HA VAL 114 -5.782 8.760 5.805 929 HB VAL 114 HB VAL 114 -5.433 10.471 3.342 930 1HG1 VAL 114 1HG1 VAL 114 -4.930 11.831 5.270 931 2HG1 VAL 114 2HG1 VAL 114 -3.423 11.367 4.480 932 3HG1 VAL 114 3HG1 VAL 114 -3.931 10.549 5.956 933 1HG2 VAL 114 1HG2 VAL 114 -4.610 7.936 3.712 934 2HG2 VAL 114 2HG2 VAL 114 -3.242 8.810 4.400 935 3HG2 VAL 114 3HG2 VAL 114 -3.737 9.115 2.734 936 H TYR 115 H TYR 115 -6.842 11.602 3.986 937 HA TYR 115 HA TYR 115 -9.026 12.354 5.531 938 1HB TYR 115 2HB TYR 115 -7.476 12.451 7.420 939 2HB TYR 115 1HB TYR 115 -6.415 13.526 6.518 940 HD1 TYR 115 2HD TYR 115 -10.077 13.431 7.296 941 HD2 TYR 115 1HD TYR 115 -6.475 15.695 7.282 942 HE1 TYR 115 2HE TYR 115 -11.299 15.370 8.186 943 HE2 TYR 115 1HE TYR 115 -7.687 17.640 8.174 944 HH TYR 115 HH TYR 115 -10.051 18.482 8.199 945 H LYS 116 H LYS 116 -6.063 13.676 4.079 946 HA LYS 116 HA LYS 116 -7.318 14.888 1.912 947 1HB LYS 116 2HB LYS 116 -7.085 17.309 2.648 948 2HB LYS 116 1HB LYS 116 -8.431 16.412 3.340 949 1HG LYS 116 2HG LYS 116 -7.725 17.166 5.307 950 2HG LYS 116 1HG LYS 116 -6.418 15.988 5.159 951 1HD LYS 116 2HD LYS 116 -5.326 18.006 5.624 952 2HD LYS 116 1HD LYS 116 -5.166 17.819 3.877 953 1HE LYS 116 2HE LYS 116 -7.274 19.243 3.701 954 2HE LYS 116 1HE LYS 116 -7.019 19.628 5.402 955 1HZ LYS 116 1HZ LYS 116 -5.005 20.692 4.924 956 2HZ LYS 116 2HZ LYS 116 -6.058 21.222 3.712 957 3HZ LYS 116 3HZ LYS 116 -4.908 20.031 3.370 958 H GLY 117 H GLY 117 -4.699 15.087 4.259 959 1HA GLY 117 2HA GLY 117 -2.855 16.480 2.639 960 2HA GLY 117 1HA GLY 117 -2.449 15.465 4.014 961 H ASN 118 H ASN 118 -2.598 13.049 3.547 962 HA ASN 118 HA ASN 118 -0.895 12.495 1.320 963 1HB ASN 118 2HB ASN 118 -2.302 10.492 3.092 964 2HB ASN 118 1HB ASN 118 -0.855 10.228 2.125 965 1HD2 ASN 118 1HD2 ASN 118 -1.780 10.452 5.148 966 2HD2 ASN 118 2HD2 ASN 118 -0.416 11.230 5.868 967 H ASN 119 H ASN 119 -2.241 13.191 -0.434 968 HA ASN 119 HA ASN 119 -3.919 11.037 -1.427 969 1HB ASN 119 2HB ASN 119 -4.929 13.770 -0.756 970 2HB ASN 119 1HB ASN 119 -5.593 12.940 -2.159 971 1HD2 ASN 119 1HD2 ASN 119 -6.162 13.556 0.949 972 2HD2 ASN 119 2HD2 ASN 119 -7.056 12.147 1.396 973 H THR 120 H THR 120 -1.327 12.121 -2.124 974 HA THR 120 HA THR 120 -1.670 13.658 -4.539 975 HB THR 120 HB THR 120 0.834 12.250 -3.614 976 HG1 THR 120 1HG THR 120 1.072 13.709 -2.131 977 1HG2 THR 120 1HG2 THR 120 1.360 13.087 -5.679 978 2HG2 THR 120 2HG2 THR 120 1.791 14.441 -4.634 979 3HG2 THR 120 3HG2 THR 120 0.268 14.462 -5.523 980 H HIS 121 H HIS 121 -0.743 10.330 -3.724 981 HA HIS 121 HA HIS 121 -0.776 9.594 -6.542 982 1HB HIS 121 2HB HIS 121 0.035 8.152 -4.028 983 2HB HIS 121 1HB HIS 121 -0.134 7.307 -5.563 984 HD1 HIS 121 1HD HIS 121 1.302 10.766 -5.405 985 HD2 HIS 121 2HD HIS 121 2.601 6.838 -5.804 986 HE1 HIS 121 1HE HIS 121 3.725 10.922 -6.062 987 HE2 HIS 121 2HE HIS 121 4.512 8.534 -6.212 988 H GLU 122 H GLU 122 -3.183 10.186 -4.610 989 HA GLU 122 HA GLU 122 -4.691 7.849 -4.347 990 1HB GLU 122 2HB GLU 122 -5.160 10.056 -3.259 991 2HB GLU 122 1HB GLU 122 -5.763 10.634 -4.807 992 1HG GLU 122 2HG GLU 122 -7.693 10.021 -3.722 993 2HG GLU 122 1HG GLU 122 -7.335 8.590 -4.686 994 H GLN 123 H GLN 123 -3.873 9.625 -7.147 995 HA GLN 123 HA GLN 123 -6.149 9.007 -8.737 996 1HB GLN 123 2HB GLN 123 -3.353 9.614 -9.700 997 2HB GLN 123 1HB GLN 123 -4.848 9.794 -10.606 998 1HG GLN 123 2HG GLN 123 -4.783 11.295 -8.099 999 2HG GLN 123 1HG GLN 123 -3.563 11.787 -9.272 1000 1HE2 GLN 123 1HE2 GLN 123 -4.228 12.586 -11.287 1001 2HE2 GLN 123 2HE2 GLN 123 -5.824 13.197 -11.534 1002 H LEU 124 H LEU 124 -2.856 7.636 -8.668 1003 HA LEU 124 HA LEU 124 -3.430 5.546 -10.483 1004 1HB LEU 124 2HB LEU 124 -1.317 4.544 -9.649 1005 2HB LEU 124 1HB LEU 124 -1.158 6.213 -10.161 1006 HG LEU 124 HG LEU 124 -1.699 5.856 -7.289 1007 1HD1 LEU 124 1HD1 LEU 124 0.833 4.840 -8.556 1008 2HD1 LEU 124 2HD1 LEU 124 -0.268 3.973 -7.485 1009 3HD1 LEU 124 3HD1 LEU 124 0.710 5.299 -6.857 1010 1HD2 LEU 124 1HD2 LEU 124 -0.161 7.618 -9.096 1011 2HD2 LEU 124 2HD2 LEU 124 0.474 7.405 -7.465 1012 3HD2 LEU 124 3HD2 LEU 124 -1.163 8.017 -7.701 1013 H LEU 125 H LEU 125 -3.669 5.831 -6.997 1014 HA LEU 125 HA LEU 125 -4.009 3.078 -6.432 1015 1HB LEU 125 2HB LEU 125 -5.081 5.425 -4.869 1016 2HB LEU 125 1HB LEU 125 -4.819 3.798 -4.268 1017 HG LEU 125 HG LEU 125 -2.497 5.341 -5.347 1018 1HD1 LEU 125 1HD1 LEU 125 -4.039 5.962 -2.910 1019 2HD1 LEU 125 2HD1 LEU 125 -2.998 6.991 -3.892 1020 3HD1 LEU 125 3HD1 LEU 125 -2.287 5.873 -2.728 1021 1HD2 LEU 125 1HD2 LEU 125 -1.223 3.918 -4.016 1022 2HD2 LEU 125 2HD2 LEU 125 -2.509 2.873 -4.620 1023 3HD2 LEU 125 3HD2 LEU 125 -2.589 3.510 -2.977 1024 H ARG 126 H ARG 126 -6.324 5.714 -6.975 1025 HA ARG 126 HA ARG 126 -8.664 4.231 -6.551 1026 1HB ARG 126 2HB ARG 126 -7.961 6.811 -7.775 1027 2HB ARG 126 1HB ARG 126 -9.427 6.082 -8.414 1028 1HG ARG 126 2HG ARG 126 -9.829 5.774 -5.757 1029 2HG ARG 126 1HG ARG 126 -8.897 7.273 -5.787 1030 1HD ARG 126 2HD ARG 126 -10.566 8.440 -6.746 1031 2HD ARG 126 1HD ARG 126 -11.035 7.102 -7.794 1032 HE ARG 126 HE ARG 126 -12.232 7.823 -5.329 1033 1HH1 ARG 126 1HH1 ARG 126 -11.362 5.043 -7.251 1034 2HH1 ARG 126 2HH1 ARG 126 -12.606 4.038 -6.586 1035 1HH2 ARG 126 1HH2 ARG 126 -13.868 6.502 -4.454 1036 2HH2 ARG 126 2HH2 ARG 126 -14.029 4.866 -4.999 1037 H LYS 127 H LYS 127 -6.656 4.655 -9.408 1038 HA LYS 127 HA LYS 127 -8.421 3.457 -11.261 1039 1HB LYS 127 2HB LYS 127 -5.615 4.322 -11.214 1040 2HB LYS 127 1HB LYS 127 -5.920 2.956 -12.279 1041 1HG LYS 127 2HG LYS 127 -6.350 4.600 -13.758 1042 2HG LYS 127 1HG LYS 127 -7.950 4.528 -13.017 1043 1HD LYS 127 2HD LYS 127 -5.864 6.313 -11.843 1044 2HD LYS 127 1HD LYS 127 -6.722 6.823 -13.297 1045 1HE LYS 127 2HE LYS 127 -8.089 5.928 -10.766 1046 2HE LYS 127 1HE LYS 127 -7.731 7.611 -11.143 1047 1HZ LYS 127 1HZ LYS 127 -9.144 6.118 -13.196 1048 2HZ LYS 127 2HZ LYS 127 -9.364 7.710 -12.670 1049 3HZ LYS 127 3HZ LYS 127 -10.017 6.429 -11.780 1050 H SER 128 H SER 128 -5.684 2.153 -9.404 1051 HA SER 128 HA SER 128 -5.803 -0.466 -10.398 1052 1HB SER 128 2HB SER 128 -4.921 0.373 -7.627 1053 2HB SER 128 1HB SER 128 -4.447 -1.089 -8.492 1054 HG SER 128 HG SER 128 -2.902 0.044 -9.324 1055 H GLU 129 H GLU 129 -7.515 1.111 -7.759 1056 HA GLU 129 HA GLU 129 -8.721 -1.294 -6.780 1057 1HB GLU 129 2HB GLU 129 -8.359 0.699 -5.359 1058 2HB GLU 129 1HB GLU 129 -9.530 1.584 -6.325 1059 1HG GLU 129 2HG GLU 129 -10.912 -0.675 -5.582 1060 2HG GLU 129 1HG GLU 129 -9.941 -0.304 -4.158 1061 H ALA 130 H ALA 130 -9.718 1.329 -8.925 1062 HA ALA 130 HA ALA 130 -12.404 0.534 -9.233 1063 1HB ALA 130 1HB ALA 130 -11.969 1.802 -11.543 1064 2HB ALA 130 2HB ALA 130 -10.547 2.347 -10.654 1065 3HB ALA 130 3HB ALA 130 -12.160 2.651 -10.009 1066 H GLN 131 H GLN 131 -9.513 -0.137 -11.192 1067 HA GLN 131 HA GLN 131 -10.782 -1.667 -13.168 1068 1HB GLN 131 2HB GLN 131 -8.562 -2.502 -13.720 1069 2HB GLN 131 1HB GLN 131 -8.499 -0.775 -13.396 1070 1HG GLN 131 2HG GLN 131 -7.648 -1.234 -11.148 1071 2HG GLN 131 1HG GLN 131 -7.698 -2.963 -11.488 1072 1HE2 GLN 131 1HE2 GLN 131 -6.169 -3.866 -12.835 1073 2HE2 GLN 131 2HE2 GLN 131 -4.742 -3.025 -13.326 1074 H ALA 132 H ALA 132 -9.299 -2.598 -10.093 1075 HA ALA 132 HA ALA 132 -9.654 -5.391 -10.425 1076 1HB ALA 132 1HB ALA 132 -8.037 -4.491 -8.848 1077 2HB ALA 132 2HB ALA 132 -9.196 -5.529 -8.017 1078 3HB ALA 132 3HB ALA 132 -9.339 -3.775 -7.896 1079 H LYS 133 H LYS 133 -11.731 -2.822 -9.343 1080 HA LYS 133 HA LYS 133 -13.654 -4.502 -8.051 1081 1HB LYS 133 2HB LYS 133 -13.153 -1.838 -7.985 1082 2HB LYS 133 1HB LYS 133 -14.532 -1.874 -9.073 1083 1HG LYS 133 2HG LYS 133 -14.528 -3.197 -6.374 1084 2HG LYS 133 1HG LYS 133 -15.069 -1.540 -6.648 1085 1HD LYS 133 2HD LYS 133 -17.085 -2.439 -7.022 1086 2HD LYS 133 1HD LYS 133 -16.426 -2.946 -8.579 1087 1HE LYS 133 2HE LYS 133 -15.941 -5.110 -7.782 1088 2HE LYS 133 1HE LYS 133 -16.156 -4.624 -6.101 1089 1HZ LYS 133 1HZ LYS 133 -18.371 -4.574 -8.066 1090 2HZ LYS 133 2HZ LYS 133 -18.472 -4.489 -6.379 1091 3HZ LYS 133 3HZ LYS 133 -18.020 -5.937 -7.127 1092 H LYS 134 H LYS 134 -13.601 -2.763 -11.159 1093 HA LYS 134 HA LYS 134 -16.082 -3.708 -12.080 1094 1HB LYS 134 2HB LYS 134 -13.732 -2.986 -13.829 1095 2HB LYS 134 1HB LYS 134 -15.440 -2.885 -14.231 1096 1HG LYS 134 2HG LYS 134 -15.629 -0.852 -13.353 1097 2HG LYS 134 1HG LYS 134 -14.766 -1.315 -11.886 1098 1HD LYS 134 2HD LYS 134 -13.198 0.107 -12.662 1099 2HD LYS 134 1HD LYS 134 -12.730 -1.267 -13.665 1100 1HE LYS 134 2HE LYS 134 -14.631 -0.233 -15.230 1101 2HE LYS 134 1HE LYS 134 -14.129 1.238 -14.399 1102 1HZ LYS 134 1HZ LYS 134 -12.123 1.228 -15.401 1103 2HZ LYS 134 2HZ LYS 134 -12.946 0.348 -16.587 1104 3HZ LYS 134 3HZ LYS 134 -12.004 -0.459 -15.437 1105 H GLU 135 H GLU 135 -12.890 -5.115 -12.112 1106 HA GLU 135 HA GLU 135 -13.723 -7.267 -13.889 1107 1HB GLU 135 2HB GLU 135 -11.125 -6.371 -12.717 1108 2HB GLU 135 1HB GLU 135 -11.280 -8.038 -13.252 1109 1HG GLU 135 2HG GLU 135 -12.267 -6.769 -15.404 1110 2HG GLU 135 1HG GLU 135 -11.137 -5.550 -14.815 1111 H LYS 136 H LYS 136 -13.293 -6.648 -10.502 1112 HA LYS 136 HA LYS 136 -13.689 -7.903 -8.646 1113 1HB LYS 136 2HB LYS 136 -15.020 -9.922 -10.447 1114 2HB LYS 136 1HB LYS 136 -15.347 -9.606 -8.749 1115 1HG LYS 136 2HG LYS 136 -15.739 -7.232 -10.339 1116 2HG LYS 136 1HG LYS 136 -16.703 -8.578 -10.946 1117 1HD LYS 136 2HD LYS 136 -17.358 -8.923 -8.470 1118 2HD LYS 136 1HD LYS 136 -16.761 -7.277 -8.246 1119 1HE LYS 136 2HE LYS 136 -18.869 -6.695 -8.771 1120 2HE LYS 136 1HE LYS 136 -18.328 -6.954 -10.428 1121 1HZ LYS 136 1HZ LYS 136 -20.066 -8.342 -10.508 1122 2HZ LYS 136 2HZ LYS 136 -20.173 -8.497 -8.828 1123 3HZ LYS 136 3HZ LYS 136 -19.058 -9.429 -9.693 1124 H LEU 137 H LEU 137 -11.254 -8.180 -8.997 1125 HA LEU 137 HA LEU 137 -10.275 -10.690 -9.905 1126 1HB LEU 137 2HB LEU 137 -8.970 -8.645 -8.108 1127 2HB LEU 137 1HB LEU 137 -8.150 -9.985 -8.886 1128 HG LEU 137 HG LEU 137 -9.568 -7.830 -10.441 1129 1HD1 LEU 137 1HD1 LEU 137 -7.273 -6.917 -10.829 1130 2HD1 LEU 137 2HD1 LEU 137 -6.704 -7.958 -9.524 1131 3HD1 LEU 137 3HD1 LEU 137 -7.889 -6.695 -9.191 1132 1HD2 LEU 137 1HD2 LEU 137 -7.767 -10.120 -11.093 1133 2HD2 LEU 137 2HD2 LEU 137 -7.765 -8.685 -12.119 1134 3HD2 LEU 137 3HD2 LEU 137 -9.255 -9.599 -11.884 1135 H ASN 138 H ASN 138 -10.078 -9.357 -6.600 1136 HA ASN 138 HA ASN 138 -10.902 -11.962 -5.549 1137 1HB ASN 138 2HB ASN 138 -8.284 -10.595 -5.073 1138 2HB ASN 138 1HB ASN 138 -9.001 -11.550 -3.778 1139 1HD2 ASN 138 1HD2 ASN 138 -6.596 -12.265 -4.790 1140 2HD2 ASN 138 2HD2 ASN 138 -6.743 -13.721 -5.708 1141 H ILE 139 H ILE 139 -9.511 -9.065 -4.030 1142 HA ILE 139 HA ILE 139 -11.196 -8.986 -1.845 1143 HB ILE 139 HB ILE 139 -10.655 -6.542 -1.705 1144 1HG1 ILE 139 2HG1 ILE 139 -9.211 -7.148 -4.296 1145 2HG1 ILE 139 1HG1 ILE 139 -10.533 -6.010 -4.070 1146 1HG2 ILE 139 1HG2 ILE 139 -8.798 -8.793 -1.739 1147 2HG2 ILE 139 2HG2 ILE 139 -9.045 -7.542 -0.520 1148 3HG2 ILE 139 3HG2 ILE 139 -8.012 -7.225 -1.912 1149 1HD1 ILE 139 1HD1 ILE 139 -8.814 -4.968 -2.333 1150 2HD1 ILE 139 2HD1 ILE 139 -8.804 -4.553 -4.048 1151 3HD1 ILE 139 3HD1 ILE 139 -7.662 -5.743 -3.421 1152 H TRP 140 H TRP 140 -11.674 -7.573 -5.042 1153 HA TRP 140 HA TRP 140 -14.277 -6.524 -4.210 1154 1HB TRP 140 2HB TRP 140 -12.864 -6.184 -6.861 1155 2HB TRP 140 1HB TRP 140 -14.292 -5.314 -6.311 1156 HD1 TRP 140 HD TRP 140 -10.976 -4.465 -6.939 1157 HE1 TRP 140 1HE TRP 140 -10.027 -2.697 -5.328 1158 HE3 TRP 140 3HE TRP 140 -14.426 -4.851 -3.182 1159 HZ2 TRP 140 2HZ TRP 140 -10.657 -1.609 -2.803 1160 HZ3 TRP 140 3HZ TRP 140 -14.179 -3.408 -1.204 1161 HH2 TRP 140 HH TRP 140 -12.332 -1.822 -1.019 1162 H SER 141 H SER 141 -13.727 -9.407 -4.550 1163 HA SER 141 HA SER 141 -15.494 -10.009 -6.823 1164 1HB SER 141 2HB SER 141 -13.087 -11.106 -6.324 1165 2HB SER 141 1HB SER 141 -14.101 -12.211 -5.397 1166 HG SER 141 HG SER 141 -14.080 -11.702 -8.158 1167 H GLU 142 H GLU 142 -16.410 -9.006 -4.244 1168 HA GLU 142 HA GLU 142 -18.047 -11.313 -3.418 1169 1HB GLU 142 2HB GLU 142 -18.198 -10.076 -1.178 1170 2HB GLU 142 1HB GLU 142 -16.687 -10.894 -1.551 1171 1HG GLU 142 2HG GLU 142 -15.517 -8.985 -1.606 1172 2HG GLU 142 1HG GLU 142 -16.810 -8.094 -2.408 1173 H ASP 143 H ASP 143 -18.550 -9.266 -5.469 1174 HA ASP 143 HA ASP 143 -21.090 -8.267 -4.390 1175 1HB ASP 143 2HB ASP 143 -19.009 -6.574 -4.814 1176 2HB ASP 143 1HB ASP 143 -19.785 -6.532 -6.394 1177 H ASN 144 H ASN 144 -20.622 -10.607 -5.921 1178 HA ASN 144 HA ASN 144 -21.001 -10.303 -8.674 1179 1HB ASN 144 2HB ASN 144 -20.586 -12.429 -7.102 1180 2HB ASN 144 1HB ASN 144 -22.327 -12.594 -7.316 1181 1HD2 ASN 144 1HD2 ASN 144 -19.253 -13.001 -8.711 1182 2HD2 ASN 144 2HD2 ASN 144 -19.770 -13.579 -10.255 1183 H ALA 145 H ALA 145 -22.585 -9.231 -9.641 1184 HA ALA 145 HA ALA 145 -25.310 -9.456 -8.540 1185 1HB ALA 145 1HB ALA 145 -25.688 -7.251 -8.855 1186 2HB ALA 145 2HB ALA 145 -24.695 -7.176 -10.310 1187 3HB ALA 145 3HB ALA 145 -23.933 -7.159 -8.720 1188 H ASP 146 H ASP 146 -26.766 -8.431 -10.593 1189 HA ASP 146 HA ASP 146 -26.746 -10.611 -12.464 1190 1HB ASP 146 2HB ASP 146 -28.751 -9.500 -13.409 1191 2HB ASP 146 1HB ASP 146 -28.872 -9.743 -11.669 1192 H SER 147 H SER 147 -25.944 -10.658 -14.473 1193 HA SER 147 HA SER 147 -24.240 -8.573 -15.380 1194 1HB SER 147 2HB SER 147 -24.472 -10.103 -17.576 1195 2HB SER 147 1HB SER 147 -23.464 -10.560 -16.204 1196 HG SER 147 HG SER 147 -26.090 -11.438 -16.804 1197 H GLY 148 H GLY 148 -24.456 -7.202 -17.163 1198 1HA GLY 148 2HA GLY 148 -25.561 -5.781 -18.587 1199 2HA GLY 148 1HA GLY 148 -26.666 -7.113 -18.892 1200 H GLN 149 H GLN 149 -28.219 -5.302 -19.080 1201 HA GLN 149 HA GLN 149 -29.996 -4.122 -18.293 1202 1HB GLN 149 2HB GLN 149 -30.484 -6.278 -17.166 1203 2HB GLN 149 1HB GLN 149 -29.561 -5.733 -15.771 1204 1HG GLN 149 2HG GLN 149 -31.519 -5.029 -14.983 1205 2HG GLN 149 1HG GLN 149 -31.330 -3.687 -16.111 1206 1HE2 GLN 149 1HE2 GLN 149 -32.327 -7.092 -16.303 1207 2HE2 GLN 149 2HE2 GLN 149 -33.766 -6.796 -17.213 Start of MODEL 20 1 1H ALA 1 1HT ALA 1 22.904 19.832 -14.016 2 2H ALA 1 2HT ALA 1 23.018 18.155 -13.668 3 3H ALA 1 3HT ALA 1 22.729 19.278 -12.403 4 HA ALA 1 HA ALA 1 20.630 19.837 -13.319 5 1HB ALA 1 1HB ALA 1 21.648 18.187 -15.553 6 2HB ALA 1 2HB ALA 1 20.624 19.623 -15.574 7 3HB ALA 1 3HB ALA 1 19.929 18.052 -15.179 8 H THR 2 H THR 2 18.680 18.435 -13.073 9 HA THR 2 HA THR 2 19.161 15.816 -11.907 10 HB THR 2 HB THR 2 17.558 16.679 -9.962 11 HG1 THR 2 1HG THR 2 17.493 18.819 -10.762 12 1HG2 THR 2 1HG2 THR 2 19.389 15.860 -8.981 13 2HG2 THR 2 2HG2 THR 2 19.874 17.552 -8.874 14 3HG2 THR 2 3HG2 THR 2 20.472 16.545 -10.193 15 H SER 3 H SER 3 16.858 15.037 -10.995 16 HA SER 3 HA SER 3 15.156 14.993 -13.300 17 1HB SER 3 2HB SER 3 15.526 13.021 -11.800 18 2HB SER 3 1HB SER 3 14.607 13.857 -10.548 19 HG SER 3 HG SER 3 13.389 12.353 -11.892 20 H THR 4 H THR 4 12.706 15.226 -12.928 21 HA THR 4 HA THR 4 12.256 17.804 -11.585 22 HB THR 4 HB THR 4 10.608 16.538 -13.781 23 HG1 THR 4 1HG THR 4 11.711 17.803 -15.183 24 1HG2 THR 4 1HG2 THR 4 9.949 18.632 -12.105 25 2HG2 THR 4 2HG2 THR 4 9.215 18.252 -13.663 26 3HG2 THR 4 3HG2 THR 4 10.537 19.417 -13.570 27 H LYS 5 H LYS 5 10.651 14.703 -12.275 28 HA LYS 5 HA LYS 5 8.462 15.061 -10.570 29 1HB LYS 5 2HB LYS 5 9.519 12.985 -12.202 30 2HB LYS 5 1HB LYS 5 9.185 12.297 -10.618 31 1HG LYS 5 2HG LYS 5 6.945 12.545 -10.829 32 2HG LYS 5 1HG LYS 5 7.085 14.009 -11.804 33 1HD LYS 5 2HD LYS 5 7.433 12.818 -13.769 34 2HD LYS 5 1HD LYS 5 7.942 11.362 -12.911 35 1HE LYS 5 2HE LYS 5 5.557 11.266 -12.013 36 2HE LYS 5 1HE LYS 5 5.167 12.465 -13.244 37 1HZ LYS 5 1HZ LYS 5 5.782 9.642 -13.536 38 2HZ LYS 5 2HZ LYS 5 6.447 10.660 -14.712 39 3HZ LYS 5 3HZ LYS 5 4.775 10.634 -14.466 40 H LYS 6 H LYS 6 8.090 14.620 -8.439 41 HA LYS 6 HA LYS 6 10.460 13.948 -6.823 42 1HB LYS 6 2HB LYS 6 9.161 15.153 -4.972 43 2HB LYS 6 1HB LYS 6 9.869 16.144 -6.241 44 1HG LYS 6 2HG LYS 6 7.068 15.236 -6.598 45 2HG LYS 6 1HG LYS 6 7.389 16.494 -5.402 46 1HD LYS 6 2HD LYS 6 8.732 16.898 -7.979 47 2HD LYS 6 1HD LYS 6 6.969 16.932 -8.063 48 1HE LYS 6 2HE LYS 6 7.430 19.136 -7.609 49 2HE LYS 6 1HE LYS 6 7.197 18.499 -5.982 50 1HZ LYS 6 1HZ LYS 6 9.706 19.246 -7.333 51 2HZ LYS 6 2HZ LYS 6 9.728 18.133 -6.060 52 3HZ LYS 6 3HZ LYS 6 9.144 19.699 -5.803 53 H LEU 7 H LEU 7 10.276 11.798 -6.490 54 HA LEU 7 HA LEU 7 8.415 10.833 -4.613 55 1HB LEU 7 2HB LEU 7 7.212 9.214 -6.057 56 2HB LEU 7 1HB LEU 7 6.796 10.887 -6.377 57 HG LEU 7 HG LEU 7 8.824 9.418 -8.043 58 1HD1 LEU 7 1HD1 LEU 7 6.030 9.739 -8.990 59 2HD1 LEU 7 2HD1 LEU 7 6.381 8.424 -7.869 60 3HD1 LEU 7 3HD1 LEU 7 7.237 8.523 -9.408 61 1HD2 LEU 7 1HD2 LEU 7 9.013 11.671 -8.507 62 2HD2 LEU 7 2HD2 LEU 7 7.296 11.977 -8.243 63 3HD2 LEU 7 3HD2 LEU 7 7.830 11.153 -9.707 64 H HIS 8 H HIS 8 10.819 10.510 -4.130 65 HA HIS 8 HA HIS 8 11.817 8.015 -5.313 66 1HB HIS 8 2HB HIS 8 13.327 9.986 -5.355 67 2HB HIS 8 1HB HIS 8 13.289 10.024 -3.594 68 HD1 HIS 8 1HD HIS 8 14.952 8.405 -6.445 69 HD2 HIS 8 2HD HIS 8 14.598 7.781 -2.352 70 HE1 HIS 8 1HE HIS 8 16.773 6.773 -5.854 71 HE2 HIS 8 2HE HIS 8 16.482 6.343 -3.389 72 H LYS 9 H LYS 9 11.616 6.194 -4.209 73 HA LYS 9 HA LYS 9 10.647 6.191 -1.505 74 1HB LYS 9 2HB LYS 9 11.670 3.705 -2.808 75 2HB LYS 9 1HB LYS 9 10.261 3.930 -1.782 76 1HG LYS 9 2HG LYS 9 9.133 3.703 -3.705 77 2HG LYS 9 1HG LYS 9 9.546 5.402 -3.934 78 1HD LYS 9 2HD LYS 9 11.745 4.350 -4.967 79 2HD LYS 9 1HD LYS 9 10.672 2.975 -5.234 80 1HE LYS 9 2HE LYS 9 10.268 5.801 -6.202 81 2HE LYS 9 1HE LYS 9 10.676 4.398 -7.187 82 1HZ LYS 9 1HZ LYS 9 8.181 4.607 -5.597 83 2HZ LYS 9 2HZ LYS 9 8.561 3.445 -6.764 84 3HZ LYS 9 3HZ LYS 9 8.288 5.047 -7.227 85 H GLU 10 H GLU 10 11.698 5.132 0.297 86 HA GLU 10 HA GLU 10 14.374 4.272 0.256 87 1HB GLU 10 2HB GLU 10 14.854 6.624 -0.251 88 2HB GLU 10 1HB GLU 10 13.985 7.119 1.195 89 1HG GLU 10 2HG GLU 10 15.713 5.523 2.373 90 2HG GLU 10 1HG GLU 10 16.660 5.856 0.924 91 H ALA 11 H ALA 11 14.607 3.023 1.992 92 HA ALA 11 HA ALA 11 13.441 3.837 4.534 93 1HB ALA 11 1HB ALA 11 12.733 1.243 3.176 94 2HB ALA 11 2HB ALA 11 11.642 2.553 3.616 95 3HB ALA 11 3HB ALA 11 12.418 1.593 4.873 96 H ALA 12 H ALA 12 14.416 0.532 3.815 97 HA ALA 12 HA ALA 12 17.107 0.538 4.219 98 1HB ALA 12 1HB ALA 12 15.789 1.366 6.636 99 2HB ALA 12 2HB ALA 12 17.512 1.277 6.273 100 3HB ALA 12 3HB ALA 12 16.670 -0.139 6.901 101 H THR 13 H THR 13 15.009 -1.171 6.516 102 HA THR 13 HA THR 13 15.053 -3.555 4.835 103 HB THR 13 HB THR 13 16.283 -3.452 7.593 104 HG1 THR 13 1HG THR 13 17.737 -2.867 6.016 105 1HG2 THR 13 1HG2 THR 13 15.952 -5.882 5.854 106 2HG2 THR 13 2HG2 THR 13 14.952 -5.519 7.261 107 3HG2 THR 13 3HG2 THR 13 16.682 -5.799 7.458 108 H LEU 14 H LEU 14 13.391 -4.960 5.214 109 HA LEU 14 HA LEU 14 11.312 -3.998 7.033 110 1HB LEU 14 2HB LEU 14 10.568 -4.327 4.787 111 2HB LEU 14 1HB LEU 14 11.290 -5.922 4.714 112 HG LEU 14 HG LEU 14 8.702 -5.627 5.005 113 1HD1 LEU 14 1HD1 LEU 14 10.041 -7.742 4.975 114 2HD1 LEU 14 2HD1 LEU 14 8.577 -7.798 5.956 115 3HD1 LEU 14 3HD1 LEU 14 10.150 -7.619 6.731 116 1HD2 LEU 14 1HD2 LEU 14 9.304 -5.856 7.898 117 2HD2 LEU 14 2HD2 LEU 14 7.859 -5.260 7.086 118 3HD2 LEU 14 3HD2 LEU 14 9.300 -4.248 7.179 119 H ILE 15 H ILE 15 11.110 -4.901 8.971 120 HA ILE 15 HA ILE 15 12.508 -7.289 9.684 121 HB ILE 15 HB ILE 15 10.456 -5.692 11.225 122 1HG1 ILE 15 2HG1 ILE 15 12.889 -5.395 12.469 123 2HG1 ILE 15 1HG1 ILE 15 13.347 -5.440 10.770 124 1HG2 ILE 15 1HG2 ILE 15 10.343 -7.593 12.442 125 2HG2 ILE 15 2HG2 ILE 15 11.849 -6.981 13.127 126 3HG2 ILE 15 3HG2 ILE 15 11.891 -8.195 11.849 127 1HD1 ILE 15 1HD1 ILE 15 11.117 -3.667 11.626 128 2HD1 ILE 15 2HD1 ILE 15 12.246 -3.494 10.283 129 3HD1 ILE 15 3HD1 ILE 15 12.783 -3.182 11.935 130 H LYS 16 H LYS 16 9.016 -6.506 9.699 131 HA LYS 16 HA LYS 16 8.261 -8.918 8.438 132 1HB LYS 16 2HB LYS 16 8.990 -9.853 10.622 133 2HB LYS 16 1HB LYS 16 7.783 -8.856 11.422 134 1HG LYS 16 2HG LYS 16 6.534 -10.714 11.261 135 2HG LYS 16 1HG LYS 16 6.230 -10.122 9.628 136 1HD LYS 16 2HD LYS 16 8.538 -11.481 9.246 137 2HD LYS 16 1HD LYS 16 7.811 -12.430 10.545 138 1HE LYS 16 2HE LYS 16 5.673 -12.317 9.075 139 2HE LYS 16 1HE LYS 16 6.797 -11.912 7.778 140 1HZ LYS 16 1HZ LYS 16 6.394 -14.433 9.165 141 2HZ LYS 16 2HZ LYS 16 8.002 -14.035 8.823 142 3HZ LYS 16 3HZ LYS 16 6.873 -14.138 7.568 143 H ALA 17 H ALA 17 6.090 -8.959 7.911 144 HA ALA 17 HA ALA 17 4.704 -6.459 8.163 145 1HB ALA 17 1HB ALA 17 3.158 -7.304 6.615 146 2HB ALA 17 2HB ALA 17 3.531 -8.976 7.028 147 3HB ALA 17 3HB ALA 17 4.703 -8.008 6.135 148 H ILE 18 H ILE 18 2.599 -6.165 9.062 149 HA ILE 18 HA ILE 18 2.029 -8.020 11.279 150 HB ILE 18 HB ILE 18 1.238 -5.112 11.119 151 1HG1 ILE 18 2HG1 ILE 18 3.283 -5.951 13.072 152 2HG1 ILE 18 1HG1 ILE 18 3.806 -5.987 11.392 153 1HG2 ILE 18 1HG2 ILE 18 -0.216 -6.352 12.556 154 2HG2 ILE 18 2HG2 ILE 18 0.885 -5.417 13.568 155 3HG2 ILE 18 3HG2 ILE 18 1.152 -7.144 13.339 156 1HD1 ILE 18 1HD1 ILE 18 3.419 -3.685 11.120 157 2HD1 ILE 18 2HD1 ILE 18 4.245 -3.860 12.668 158 3HD1 ILE 18 3HD1 ILE 18 2.504 -3.583 12.622 159 H ASP 19 H ASP 19 0.565 -6.041 8.734 160 HA ASP 19 HA ASP 19 -1.625 -7.894 8.512 161 1HB ASP 19 2HB ASP 19 -1.970 -5.240 9.814 162 2HB ASP 19 1HB ASP 19 -3.232 -5.771 8.706 163 H GLY 20 H GLY 20 0.141 -7.502 6.598 164 1HA GLY 20 2HA GLY 20 0.283 -7.050 4.351 165 2HA GLY 20 1HA GLY 20 -1.400 -6.553 4.420 166 H ASP 21 H ASP 21 -1.718 -4.342 5.516 167 HA ASP 21 HA ASP 21 -0.049 -2.461 4.097 168 1HB ASP 21 2HB ASP 21 -1.648 -0.777 4.906 169 2HB ASP 21 1HB ASP 21 -2.480 -2.139 4.163 170 H THR 22 H THR 22 -0.538 -3.547 7.376 171 HA THR 22 HA THR 22 1.295 -1.503 8.383 172 HB THR 22 HB THR 22 -0.127 -3.557 10.062 173 HG1 THR 22 1HG THR 22 -1.152 -1.043 9.245 174 1HG2 THR 22 1HG2 THR 22 -0.192 -1.383 11.545 175 2HG2 THR 22 2HG2 THR 22 1.216 -0.964 10.568 176 3HG2 THR 22 3HG2 THR 22 1.214 -2.449 11.521 177 H VAL 23 H VAL 23 3.365 -2.068 8.100 178 HA VAL 23 HA VAL 23 4.180 -4.748 9.007 179 HB VAL 23 HB VAL 23 5.857 -4.858 7.232 180 1HG1 VAL 23 1HG1 VAL 23 3.193 -5.351 6.980 181 2HG1 VAL 23 2HG1 VAL 23 4.418 -5.802 5.793 182 3HG1 VAL 23 3HG1 VAL 23 3.494 -4.313 5.586 183 1HG2 VAL 23 1HG2 VAL 23 4.585 -2.374 6.090 184 2HG2 VAL 23 2HG2 VAL 23 5.965 -3.263 5.446 185 3HG2 VAL 23 3HG2 VAL 23 6.113 -2.391 6.971 186 H LYS 24 H LYS 24 6.211 -4.903 9.983 187 HA LYS 24 HA LYS 24 7.157 -2.423 11.152 188 1HB LYS 24 2HB LYS 24 7.140 -5.190 11.904 189 2HB LYS 24 1HB LYS 24 8.798 -4.603 11.938 190 1HG LYS 24 2HG LYS 24 7.085 -2.670 13.163 191 2HG LYS 24 1HG LYS 24 6.791 -4.257 13.875 192 1HD LYS 24 2HD LYS 24 8.834 -4.347 14.836 193 2HD LYS 24 1HD LYS 24 9.623 -3.553 13.473 194 1HE LYS 24 2HE LYS 24 9.836 -1.937 15.086 195 2HE LYS 24 1HE LYS 24 8.315 -1.453 14.337 196 1HZ LYS 24 1HZ LYS 24 7.974 -1.397 16.651 197 2HZ LYS 24 2HZ LYS 24 8.697 -2.908 16.889 198 3HZ LYS 24 3HZ LYS 24 7.197 -2.802 16.115 199 H LEU 25 H LEU 25 8.460 -1.245 9.905 200 HA LEU 25 HA LEU 25 10.591 -2.622 8.408 201 1HB LEU 25 2HB LEU 25 8.689 -0.920 7.441 202 2HB LEU 25 1HB LEU 25 10.017 0.183 7.742 203 HG LEU 25 HG LEU 25 10.632 -2.310 6.247 204 1HD1 LEU 25 1HD1 LEU 25 9.994 -0.622 4.219 205 2HD1 LEU 25 2HD1 LEU 25 8.695 -0.294 5.367 206 3HD1 LEU 25 3HD1 LEU 25 8.968 -1.938 4.792 207 1HD2 LEU 25 1HD2 LEU 25 11.973 -0.525 4.962 208 2HD2 LEU 25 2HD2 LEU 25 12.489 -0.951 6.594 209 3HD2 LEU 25 3HD2 LEU 25 11.577 0.532 6.317 210 H MET 26 H MET 26 12.663 -2.136 8.788 211 HA MET 26 HA MET 26 13.260 -0.416 11.043 212 1HB MET 26 2HB MET 26 14.296 -2.707 10.665 213 2HB MET 26 1HB MET 26 15.225 -1.972 9.366 214 1HG MET 26 2HG MET 26 16.323 -0.500 10.894 215 2HG MET 26 1HG MET 26 15.277 -1.014 12.215 216 1HE MET 26 1HE MET 26 18.491 -1.662 13.260 217 2HE MET 26 2HE MET 26 17.533 -2.934 14.019 218 3HE MET 26 3HE MET 26 16.819 -1.347 13.727 219 H TYR 27 H TYR 27 13.065 1.680 10.417 220 HA TYR 27 HA TYR 27 14.509 2.572 8.030 221 1HB TYR 27 2HB TYR 27 12.171 3.294 8.252 222 2HB TYR 27 1HB TYR 27 12.545 4.046 9.800 223 HD1 TYR 27 2HD TYR 27 14.096 6.020 9.851 224 HD2 TYR 27 1HD TYR 27 12.564 4.431 6.216 225 HE1 TYR 27 2HE TYR 27 14.670 8.116 8.701 226 HE2 TYR 27 1HE TYR 27 13.133 6.522 5.054 227 HH TYR 27 HH TYR 27 13.453 9.044 5.853 228 H LYS 28 H LYS 28 16.132 4.092 8.108 229 HA LYS 28 HA LYS 28 18.069 4.941 8.956 230 1HB LYS 28 2HB LYS 28 17.759 6.823 10.298 231 2HB LYS 28 1HB LYS 28 16.218 6.640 9.478 232 1HG LYS 28 2HG LYS 28 15.167 6.590 11.423 233 2HG LYS 28 1HG LYS 28 16.109 5.189 11.927 234 1HD LYS 28 2HD LYS 28 17.954 6.865 12.502 235 2HD LYS 28 1HD LYS 28 16.701 8.099 12.362 236 1HE LYS 28 2HE LYS 28 15.492 7.246 14.167 237 2HE LYS 28 1HE LYS 28 16.306 5.683 14.092 238 1HZ LYS 28 1HZ LYS 28 16.963 7.294 15.940 239 2HZ LYS 28 2HZ LYS 28 17.797 8.148 14.742 240 3HZ LYS 28 3HZ LYS 28 18.209 6.542 15.077 241 H GLY 29 H GLY 29 17.332 2.284 10.000 242 1HA GLY 29 2HA GLY 29 18.544 0.842 11.365 243 2HA GLY 29 1HA GLY 29 19.272 2.235 12.147 244 H GLN 30 H GLN 30 15.823 2.217 11.938 245 HA GLN 30 HA GLN 30 15.617 1.112 14.646 246 1HB GLN 30 2HB GLN 30 14.492 2.944 15.541 247 2HB GLN 30 1HB GLN 30 15.755 3.689 14.577 248 1HG GLN 30 2HG GLN 30 14.161 4.134 12.799 249 2HG GLN 30 1HG GLN 30 12.890 3.335 13.721 250 1HE2 GLN 30 1HE2 GLN 30 13.537 6.190 12.740 251 2HE2 GLN 30 2HE2 GLN 30 13.185 7.164 14.123 252 H ALA 31 H ALA 31 14.070 -0.353 14.798 253 HA ALA 31 HA ALA 31 12.328 -0.922 12.623 254 1HB ALA 31 1HB ALA 31 11.506 -2.734 13.973 255 2HB ALA 31 2HB ALA 31 12.212 -2.023 15.425 256 3HB ALA 31 3HB ALA 31 13.259 -2.640 14.148 257 H MET 32 H MET 32 10.581 0.215 12.143 258 HA MET 32 HA MET 32 8.824 1.084 14.333 259 1HB MET 32 2HB MET 32 8.354 3.167 13.172 260 2HB MET 32 1HB MET 32 10.078 3.028 13.482 261 1HG MET 32 2HG MET 32 10.262 2.124 11.109 262 2HG MET 32 1HG MET 32 8.619 2.720 10.885 263 1HE MET 32 1HE MET 32 8.476 6.159 10.976 264 2HE MET 32 2HE MET 32 7.914 4.596 10.385 265 3HE MET 32 3HE MET 32 8.958 5.595 9.376 266 H THR 33 H THR 33 6.584 1.230 13.793 267 HA THR 33 HA THR 33 5.780 -0.787 11.904 268 HB THR 33 HB THR 33 3.918 1.030 13.416 269 HG1 THR 33 1HG THR 33 4.190 -0.181 15.200 270 1HG2 THR 33 1HG2 THR 33 2.501 -0.307 12.287 271 2HG2 THR 33 2HG2 THR 33 2.852 -1.406 13.622 272 3HG2 THR 33 3HG2 THR 33 3.695 -1.590 12.084 273 H PHE 34 H PHE 34 5.601 -0.370 9.818 274 HA PHE 34 HA PHE 34 4.866 2.325 8.931 275 1HB PHE 34 2HB PHE 34 6.315 0.029 7.688 276 2HB PHE 34 1HB PHE 34 5.454 1.140 6.629 277 HD1 PHE 34 2HD PHE 34 8.214 0.788 9.015 278 HD2 PHE 34 1HD PHE 34 6.229 3.380 6.286 279 HE1 PHE 34 2HE PHE 34 10.128 2.330 9.094 280 HE2 PHE 34 1HE PHE 34 8.139 4.929 6.361 281 HZ PHE 34 HZ PHE 34 10.093 4.405 7.767 282 H ARG 35 H ARG 35 2.971 2.756 7.949 283 HA ARG 35 HA ARG 35 1.189 0.475 7.397 284 1HB ARG 35 2HB ARG 35 0.631 3.196 8.533 285 2HB ARG 35 1HB ARG 35 -0.641 2.280 7.738 286 1HG ARG 35 2HG ARG 35 0.304 0.404 9.418 287 2HG ARG 35 1HG ARG 35 0.645 1.863 10.351 288 1HD ARG 35 2HD ARG 35 -1.584 0.855 10.818 289 2HD ARG 35 1HD ARG 35 -1.650 2.531 10.275 290 HE ARG 35 HE ARG 35 -1.942 0.609 8.156 291 1HH1 ARG 35 1HH1 ARG 35 -3.613 2.439 10.613 292 2HH1 ARG 35 2HH1 ARG 35 -5.141 2.371 9.801 293 1HH2 ARG 35 1HH2 ARG 35 -3.951 0.520 7.086 294 2HH2 ARG 35 2HH2 ARG 35 -5.334 1.282 7.800 295 H LEU 36 H LEU 36 0.664 0.191 5.323 296 HA LEU 36 HA LEU 36 1.563 1.762 3.231 297 1HB LEU 36 2HB LEU 36 -0.211 -0.497 3.557 298 2HB LEU 36 1HB LEU 36 -0.795 0.576 2.302 299 HG LEU 36 HG LEU 36 1.955 -0.662 2.398 300 1HD1 LEU 36 1HD1 LEU 36 0.487 -2.398 1.858 301 2HD1 LEU 36 2HD1 LEU 36 1.049 -1.799 0.296 302 3HD1 LEU 36 3HD1 LEU 36 -0.548 -1.344 0.893 303 1HD2 LEU 36 1HD2 LEU 36 0.623 1.165 0.412 304 2HD2 LEU 36 2HD2 LEU 36 2.061 0.211 0.046 305 3HD2 LEU 36 3HD2 LEU 36 2.116 1.442 1.308 306 H LEU 37 H LEU 37 1.016 3.703 2.506 307 HA LEU 37 HA LEU 37 -1.214 5.110 3.620 308 1HB LEU 37 2HB LEU 37 1.127 5.743 1.978 309 2HB LEU 37 1HB LEU 37 -0.289 6.696 1.581 310 HG LEU 37 HG LEU 37 1.053 6.508 4.276 311 1HD1 LEU 37 1HD1 LEU 37 0.641 9.026 2.743 312 2HD1 LEU 37 2HD1 LEU 37 1.951 7.944 2.270 313 3HD1 LEU 37 3HD1 LEU 37 1.898 8.603 3.905 314 1HD2 LEU 37 1HD2 LEU 37 -1.098 6.809 4.961 315 2HD2 LEU 37 2HD2 LEU 37 -1.598 7.549 3.440 316 3HD2 LEU 37 3HD2 LEU 37 -0.676 8.486 4.615 317 H LEU 38 H LEU 38 -3.133 5.600 2.753 318 HA LEU 38 HA LEU 38 -4.952 5.515 1.404 319 1HB LEU 38 2HB LEU 38 -2.715 5.807 -0.554 320 2HB LEU 38 1HB LEU 38 -4.344 5.532 -1.143 321 HG LEU 38 HG LEU 38 -3.395 7.861 0.524 322 1HD1 LEU 38 1HD1 LEU 38 -4.499 7.716 -2.277 323 2HD1 LEU 38 2HD1 LEU 38 -2.807 7.964 -1.849 324 3HD1 LEU 38 3HD1 LEU 38 -4.011 9.180 -1.423 325 1HD2 LEU 38 1HD2 LEU 38 -5.880 8.551 -0.175 326 2HD2 LEU 38 2HD2 LEU 38 -5.502 7.744 1.346 327 3HD2 LEU 38 3HD2 LEU 38 -6.104 6.809 -0.023 328 H VAL 39 H VAL 39 -3.651 2.979 2.272 329 HA VAL 39 HA VAL 39 -5.065 1.249 0.380 330 HB VAL 39 HB VAL 39 -2.420 0.356 1.479 331 1HG1 VAL 39 1HG1 VAL 39 -4.428 -0.655 -0.432 332 2HG1 VAL 39 2HG1 VAL 39 -3.371 -1.529 0.676 333 3HG1 VAL 39 3HG1 VAL 39 -2.737 -0.923 -0.853 334 1HG2 VAL 39 1HG2 VAL 39 -1.772 0.860 -1.062 335 2HG2 VAL 39 2HG2 VAL 39 -1.517 2.025 0.235 336 3HG2 VAL 39 3HG2 VAL 39 -2.932 2.162 -0.808 337 H ASP 40 H ASP 40 -5.787 -0.743 1.260 338 HA ASP 40 HA ASP 40 -5.544 -1.041 4.166 339 1HB ASP 40 2HB ASP 40 -7.906 -0.177 2.779 340 2HB ASP 40 1HB ASP 40 -8.203 -1.759 3.491 341 H THR 41 H THR 41 -4.590 -2.963 4.362 342 HA THR 41 HA THR 41 -5.681 -5.212 2.803 343 HB THR 41 HB THR 41 -2.874 -5.416 3.712 344 HG1 THR 41 1HG THR 41 -2.159 -4.153 1.935 345 1HG2 THR 41 1HG2 THR 41 -4.528 -6.649 1.786 346 2HG2 THR 41 2HG2 THR 41 -2.854 -7.018 2.199 347 3HG2 THR 41 3HG2 THR 41 -3.211 -5.845 0.933 348 H ALA 42 H ALA 42 -7.033 -5.116 4.893 349 HA ALA 42 HA ALA 42 -6.503 -7.350 6.443 350 1HB ALA 42 1HB ALA 42 -4.795 -6.551 7.701 351 2HB ALA 42 2HB ALA 42 -6.124 -5.889 8.652 352 3HB ALA 42 3HB ALA 42 -5.278 -4.868 7.488 353 H GLU 43 H GLU 43 -8.267 -7.913 7.634 354 HA GLU 43 HA GLU 43 -10.094 -6.174 8.836 355 1HB GLU 43 2HB GLU 43 -10.415 -5.843 6.220 356 2HB GLU 43 1HB GLU 43 -11.391 -7.294 6.395 357 1HG GLU 43 2HG GLU 43 -13.056 -5.892 6.855 358 2HG GLU 43 1HG GLU 43 -12.309 -5.756 8.446 359 H THR 44 H THR 44 -9.616 -7.932 10.314 360 HA THR 44 HA THR 44 -11.248 -10.328 9.778 361 HB THR 44 HB THR 44 -9.647 -11.264 11.673 362 HG1 THR 44 1HG THR 44 -8.515 -9.309 11.943 363 1HG2 THR 44 1HG2 THR 44 -8.890 -12.566 10.057 364 2HG2 THR 44 2HG2 THR 44 -8.016 -11.226 9.314 365 3HG2 THR 44 3HG2 THR 44 -9.705 -11.516 8.899 366 H LYS 45 H LYS 45 -13.093 -9.238 10.646 367 HA LYS 45 HA LYS 45 -13.262 -9.509 13.529 368 1HB LYS 45 2HB LYS 45 -14.345 -7.226 13.720 369 2HB LYS 45 1HB LYS 45 -12.602 -7.236 13.486 370 1HG LYS 45 2HG LYS 45 -13.041 -5.701 11.918 371 2HG LYS 45 1HG LYS 45 -13.452 -7.097 10.922 372 1HD LYS 45 2HD LYS 45 -15.452 -6.137 10.654 373 2HD LYS 45 1HD LYS 45 -15.779 -6.611 12.322 374 1HE LYS 45 2HE LYS 45 -16.139 -4.422 12.653 375 2HE LYS 45 1HE LYS 45 -14.380 -4.303 12.677 376 1HZ LYS 45 1HZ LYS 45 -14.691 -4.057 10.123 377 2HZ LYS 45 2HZ LYS 45 -14.935 -2.722 11.133 378 3HZ LYS 45 3HZ LYS 45 -16.263 -3.585 10.538 379 H HIS 46 H HIS 46 -14.404 -10.776 11.122 380 HA HIS 46 HA HIS 46 -17.254 -10.211 11.615 381 1HB HIS 46 2HB HIS 46 -15.743 -10.812 9.133 382 2HB HIS 46 1HB HIS 46 -17.337 -11.548 9.280 383 HD1 HIS 46 1HD HIS 46 -18.688 -9.108 10.757 384 HD2 HIS 46 2HD HIS 46 -16.426 -8.894 7.278 385 HE1 HIS 46 1HE HIS 46 -19.426 -6.998 9.603 386 HE2 HIS 46 2HE HIS 46 -17.980 -6.845 7.546 387 H THR 47 H THR 47 -14.814 -12.710 11.183 388 HA THR 47 HA THR 47 -14.728 -14.884 11.845 389 HB THR 47 HB THR 47 -17.287 -14.550 13.378 390 HG1 THR 47 1HG THR 47 -16.106 -13.555 15.022 391 1HG2 THR 47 1HG2 THR 47 -16.625 -16.565 14.058 392 2HG2 THR 47 2HG2 THR 47 -15.459 -15.679 15.041 393 3HG2 THR 47 3HG2 THR 47 -14.978 -16.331 13.475 394 H LYS 48 H LYS 48 -16.011 -14.210 9.418 395 HA LYS 48 HA LYS 48 -18.468 -15.542 9.051 396 1HB LYS 48 2HB LYS 48 -17.210 -13.847 7.522 397 2HB LYS 48 1HB LYS 48 -16.435 -15.279 6.862 398 1HG LYS 48 2HG LYS 48 -19.017 -16.041 6.755 399 2HG LYS 48 1HG LYS 48 -19.187 -14.298 6.543 400 1HD LYS 48 2HD LYS 48 -17.019 -15.411 4.953 401 2HD LYS 48 1HD LYS 48 -18.581 -16.135 4.568 402 1HE LYS 48 2HE LYS 48 -17.980 -14.101 3.222 403 2HE LYS 48 1HE LYS 48 -19.530 -14.021 4.056 404 1HZ LYS 48 1HZ LYS 48 -17.131 -12.936 5.362 405 2HZ LYS 48 2HZ LYS 48 -18.749 -12.484 5.551 406 3HZ LYS 48 3HZ LYS 48 -17.901 -12.027 4.161 407 H LYS 49 H LYS 49 -15.152 -16.564 8.238 408 HA LYS 49 HA LYS 49 -15.549 -19.230 9.069 409 1HB LYS 49 2HB LYS 49 -15.342 -20.248 6.735 410 2HB LYS 49 1HB LYS 49 -16.916 -19.614 7.193 411 1HG LYS 49 2HG LYS 49 -16.803 -18.667 5.157 412 2HG LYS 49 1HG LYS 49 -15.885 -17.434 6.023 413 1HD LYS 49 2HD LYS 49 -14.387 -17.825 4.369 414 2HD LYS 49 1HD LYS 49 -13.897 -19.135 5.444 415 1HE LYS 49 2HE LYS 49 -14.106 -20.140 3.336 416 2HE LYS 49 1HE LYS 49 -15.588 -20.571 4.187 417 1HZ LYS 49 1HZ LYS 49 -16.391 -18.356 3.014 418 2HZ LYS 49 2HZ LYS 49 -16.481 -19.861 2.250 419 3HZ LYS 49 3HZ LYS 49 -15.205 -18.808 1.895 420 H GLY 50 H GLY 50 -13.815 -17.162 6.763 421 1HA GLY 50 2HA GLY 50 -11.348 -17.240 7.930 422 2HA GLY 50 1HA GLY 50 -11.390 -18.691 6.942 423 H VAL 51 H VAL 51 -12.686 -15.444 6.378 424 HA VAL 51 HA VAL 51 -10.700 -14.874 4.364 425 HB VAL 51 HB VAL 51 -13.598 -15.210 3.555 426 1HG1 VAL 51 1HG1 VAL 51 -11.205 -14.215 2.022 427 2HG1 VAL 51 2HG1 VAL 51 -12.694 -13.340 2.381 428 3HG1 VAL 51 3HG1 VAL 51 -12.720 -14.708 1.268 429 1HG2 VAL 51 1HG2 VAL 51 -12.584 -17.359 3.698 430 2HG2 VAL 51 2HG2 VAL 51 -11.125 -16.791 2.886 431 3HG2 VAL 51 3HG2 VAL 51 -12.639 -16.918 1.990 432 H GLU 52 H GLU 52 -14.051 -13.788 4.718 433 HA GLU 52 HA GLU 52 -14.970 -11.864 5.543 434 1HB GLU 52 2HB GLU 52 -12.262 -10.722 6.149 435 2HB GLU 52 1HB GLU 52 -13.798 -10.405 6.943 436 1HG GLU 52 2HG GLU 52 -13.393 -13.104 7.356 437 2HG GLU 52 1HG GLU 52 -11.783 -12.405 7.515 438 H LYS 53 H LYS 53 -12.113 -11.665 3.543 439 HA LYS 53 HA LYS 53 -13.147 -10.469 1.350 440 1HB LYS 53 2HB LYS 53 -12.407 -8.039 1.656 441 2HB LYS 53 1HB LYS 53 -13.902 -8.522 2.441 442 1HG LYS 53 2HG LYS 53 -13.008 -7.489 4.218 443 2HG LYS 53 1HG LYS 53 -12.132 -9.006 4.423 444 1HD LYS 53 2HD LYS 53 -10.607 -7.118 4.569 445 2HD LYS 53 1HD LYS 53 -10.256 -8.083 3.137 446 1HE LYS 53 2HE LYS 53 -12.181 -5.929 2.676 447 2HE LYS 53 1HE LYS 53 -10.590 -5.366 3.182 448 1HZ LYS 53 1HZ LYS 53 -11.241 -5.938 0.658 449 2HZ LYS 53 2HZ LYS 53 -10.581 -7.418 1.138 450 3HZ LYS 53 3HZ LYS 53 -9.661 -6.004 1.258 451 H TYR 54 H TYR 54 -11.060 -12.198 2.087 452 HA TYR 54 HA TYR 54 -8.976 -12.779 1.398 453 1HB TYR 54 2HB TYR 54 -9.539 -10.395 -0.282 454 2HB TYR 54 1HB TYR 54 -7.858 -10.899 -0.159 455 HD1 TYR 54 2HD TYR 54 -7.334 -13.359 -0.705 456 HD2 TYR 54 1HD TYR 54 -10.980 -11.449 -1.778 457 HE1 TYR 54 2HE TYR 54 -7.725 -15.081 -2.414 458 HE2 TYR 54 1HE TYR 54 -11.382 -13.166 -3.491 459 HH TYR 54 HH TYR 54 -9.129 -15.126 -4.697 460 H GLY 55 H GLY 55 -9.325 -11.515 3.878 461 1HA GLY 55 2HA GLY 55 -7.237 -9.547 4.220 462 2HA GLY 55 1HA GLY 55 -8.228 -10.251 5.489 463 H ALA 56 H ALA 56 -7.709 -12.957 5.072 464 HA ALA 56 HA ALA 56 -5.330 -13.307 6.509 465 1HB ALA 56 1HB ALA 56 -5.718 -15.765 5.454 466 2HB ALA 56 2HB ALA 56 -7.319 -15.061 5.232 467 3HB ALA 56 3HB ALA 56 -6.604 -15.136 6.842 468 H GLU 57 H GLU 57 -6.036 -13.670 3.059 469 HA GLU 57 HA GLU 57 -3.386 -14.527 2.391 470 1HB GLU 57 2HB GLU 57 -5.308 -15.167 1.019 471 2HB GLU 57 1HB GLU 57 -5.618 -13.479 0.640 472 1HG GLU 57 2HG GLU 57 -4.254 -13.593 -1.091 473 2HG GLU 57 1HG GLU 57 -2.922 -14.063 -0.036 474 H ALA 58 H ALA 58 -5.000 -11.477 2.733 475 HA ALA 58 HA ALA 58 -3.426 -9.822 1.145 476 1HB ALA 58 1HB ALA 58 -5.232 -9.483 3.422 477 2HB ALA 58 2HB ALA 58 -5.082 -8.538 1.941 478 3HB ALA 58 3HB ALA 58 -3.993 -8.234 3.294 479 H SER 59 H SER 59 -2.937 -10.882 4.491 480 HA SER 59 HA SER 59 -0.538 -9.402 4.877 481 1HB SER 59 2HB SER 59 -0.355 -10.534 6.961 482 2HB SER 59 1HB SER 59 -2.083 -10.309 6.689 483 HG SER 59 HG SER 59 -2.065 -12.391 7.117 484 H ALA 60 H ALA 60 -1.281 -12.623 3.708 485 HA ALA 60 HA ALA 60 1.355 -13.659 3.828 486 1HB ALA 60 1HB ALA 60 -1.214 -14.479 2.653 487 2HB ALA 60 2HB ALA 60 -0.027 -15.415 3.562 488 3HB ALA 60 3HB ALA 60 0.223 -15.106 1.844 489 H PHE 61 H PHE 61 -0.519 -12.179 1.196 490 HA PHE 61 HA PHE 61 1.409 -12.420 -0.817 491 1HB PHE 61 2HB PHE 61 -0.847 -11.843 -1.400 492 2HB PHE 61 1HB PHE 61 -0.797 -10.396 -0.402 493 HD1 PHE 61 2HD PHE 61 0.766 -8.523 -1.093 494 HD2 PHE 61 1HD PHE 61 -0.232 -11.774 -3.651 495 HE1 PHE 61 2HE PHE 61 1.476 -7.201 -3.042 496 HE2 PHE 61 1HE PHE 61 0.477 -10.458 -5.606 497 HZ PHE 61 HZ PHE 61 1.333 -8.166 -5.302 498 H THR 62 H THR 62 0.842 -9.843 1.540 499 HA THR 62 HA THR 62 2.935 -8.171 0.547 500 HB THR 62 HB THR 62 1.559 -8.107 3.239 501 HG1 THR 62 1HG THR 62 0.010 -7.844 1.694 502 1HG2 THR 62 1HG2 THR 62 3.649 -6.491 2.149 503 2HG2 THR 62 2HG2 THR 62 2.868 -6.400 3.728 504 3HG2 THR 62 3HG2 THR 62 2.187 -5.528 2.355 505 H LYS 63 H LYS 63 2.659 -10.604 3.064 506 HA LYS 63 HA LYS 63 5.132 -10.077 4.335 507 1HB LYS 63 2HB LYS 63 3.163 -12.307 4.337 508 2HB LYS 63 1HB LYS 63 4.778 -12.654 4.934 509 1HG LYS 63 2HG LYS 63 4.502 -10.660 6.460 510 2HG LYS 63 1HG LYS 63 2.799 -10.663 5.996 511 1HD LYS 63 2HD LYS 63 2.534 -12.911 6.846 512 2HD LYS 63 1HD LYS 63 4.260 -13.013 7.201 513 1HE LYS 63 2HE LYS 63 3.826 -10.919 8.667 514 2HE LYS 63 1HE LYS 63 2.135 -11.409 8.572 515 1HZ LYS 63 1HZ LYS 63 2.489 -13.207 9.870 516 2HZ LYS 63 2HZ LYS 63 3.776 -12.276 10.450 517 3HZ LYS 63 3HZ LYS 63 4.058 -13.477 9.293 518 H LYS 64 H LYS 64 4.190 -12.400 1.825 519 HA LYS 64 HA LYS 64 6.787 -13.538 1.587 520 1HB LYS 64 2HB LYS 64 5.864 -14.563 -0.496 521 2HB LYS 64 1HB LYS 64 4.897 -14.854 0.942 522 1HG LYS 64 2HG LYS 64 3.139 -14.140 -0.192 523 2HG LYS 64 1HG LYS 64 3.845 -12.525 -0.155 524 1HD LYS 64 2HD LYS 64 4.393 -12.593 -2.332 525 2HD LYS 64 1HD LYS 64 4.960 -14.260 -2.232 526 1HE LYS 64 2HE LYS 64 2.993 -15.098 -2.924 527 2HE LYS 64 1HE LYS 64 2.057 -13.948 -1.970 528 1HZ LYS 64 1HZ LYS 64 1.961 -12.475 -3.667 529 2HZ LYS 64 2HZ LYS 64 2.117 -13.879 -4.597 530 3HZ LYS 64 3HZ LYS 64 3.469 -12.908 -4.302 531 H MET 65 H MET 65 5.050 -11.016 -0.176 532 HA MET 65 HA MET 65 7.040 -10.710 -2.192 533 1HB MET 65 2HB MET 65 4.704 -10.037 -2.540 534 2HB MET 65 1HB MET 65 4.875 -8.796 -1.306 535 1HG MET 65 2HG MET 65 6.761 -7.871 -2.763 536 2HG MET 65 1HG MET 65 6.115 -8.915 -4.029 537 1HE MET 65 1HE MET 65 5.317 -7.933 -5.655 538 2HE MET 65 2HE MET 65 4.512 -6.369 -5.782 539 3HE MET 65 3HE MET 65 3.562 -7.832 -5.526 540 H VAL 66 H VAL 66 6.439 -9.198 0.924 541 HA VAL 66 HA VAL 66 8.484 -7.201 0.524 542 HB VAL 66 HB VAL 66 6.360 -6.920 1.928 543 1HG1 VAL 66 1HG1 VAL 66 6.371 -7.616 4.194 544 2HG1 VAL 66 2HG1 VAL 66 8.038 -8.185 4.082 545 3HG1 VAL 66 3HG1 VAL 66 6.756 -9.042 3.227 546 1HG2 VAL 66 1HG2 VAL 66 8.158 -5.278 1.835 547 2HG2 VAL 66 2HG2 VAL 66 9.024 -6.142 3.105 548 3HG2 VAL 66 3HG2 VAL 66 7.474 -5.378 3.457 549 H GLU 67 H GLU 67 8.144 -10.199 2.379 550 HA GLU 67 HA GLU 67 10.679 -9.973 3.663 551 1HB GLU 67 2HB GLU 67 8.857 -12.347 3.246 552 2HB GLU 67 1HB GLU 67 10.315 -12.384 4.229 553 1HG GLU 67 2HG GLU 67 8.334 -10.274 4.838 554 2HG GLU 67 1HG GLU 67 7.899 -11.934 5.242 555 H ASN 68 H ASN 68 9.654 -11.078 0.559 556 HA ASN 68 HA ASN 68 12.092 -12.597 0.100 557 1HB ASN 68 2HB ASN 68 9.661 -12.053 -1.600 558 2HB ASN 68 1HB ASN 68 11.080 -12.891 -2.216 559 1HD2 ASN 68 1HD2 ASN 68 8.574 -14.054 -2.159 560 2HD2 ASN 68 2HD2 ASN 68 8.584 -15.360 -1.030 561 H ALA 69 H ALA 69 10.629 -9.542 -0.850 562 HA ALA 69 HA ALA 69 12.204 -8.748 -2.946 563 1HB ALA 69 1HB ALA 69 10.328 -7.531 -1.420 564 2HB ALA 69 2HB ALA 69 11.302 -6.711 -2.640 565 3HB ALA 69 3HB ALA 69 11.772 -6.643 -0.940 566 H LYS 70 H LYS 70 13.024 -8.746 0.476 567 HA LYS 70 HA LYS 70 15.030 -8.729 1.544 568 1HB LYS 70 2HB LYS 70 15.922 -9.058 -1.263 569 2HB LYS 70 1HB LYS 70 17.114 -8.464 -0.120 570 1HG LYS 70 2HG LYS 70 16.656 -10.414 1.319 571 2HG LYS 70 1HG LYS 70 15.544 -11.022 0.090 572 1HD LYS 70 2HD LYS 70 17.318 -12.082 -0.763 573 2HD LYS 70 1HD LYS 70 17.828 -10.499 -1.349 574 1HE LYS 70 2HE LYS 70 19.476 -10.313 0.183 575 2HE LYS 70 1HE LYS 70 18.536 -11.112 1.443 576 1HZ LYS 70 1HZ LYS 70 20.261 -12.580 0.972 577 2HZ LYS 70 2HZ LYS 70 20.155 -12.344 -0.699 578 3HZ LYS 70 3HZ LYS 70 18.955 -13.221 0.108 579 H LYS 71 H LYS 71 14.237 -6.305 -0.796 580 HA LYS 71 HA LYS 71 15.596 -4.313 0.872 581 1HB LYS 71 2HB LYS 71 16.965 -4.623 -1.124 582 2HB LYS 71 1HB LYS 71 15.559 -4.385 -2.152 583 1HG LYS 71 2HG LYS 71 15.739 -2.128 -0.470 584 2HG LYS 71 1HG LYS 71 17.360 -2.448 -1.092 585 1HD LYS 71 2HD LYS 71 15.792 -2.787 -3.317 586 2HD LYS 71 1HD LYS 71 14.974 -1.472 -2.472 587 1HE LYS 71 2HE LYS 71 17.791 -1.583 -3.498 588 2HE LYS 71 1HE LYS 71 16.529 -0.409 -3.868 589 1HZ LYS 71 1HZ LYS 71 18.390 -0.480 -1.664 590 2HZ LYS 71 2HZ LYS 71 16.800 -0.131 -1.208 591 3HZ LYS 71 3HZ LYS 71 17.581 0.835 -2.356 592 H ILE 72 H ILE 72 14.144 -2.936 1.661 593 HA ILE 72 HA ILE 72 11.748 -2.367 0.042 594 HB ILE 72 HB ILE 72 11.871 -2.467 3.057 595 1HG1 ILE 72 2HG1 ILE 72 10.243 -4.443 2.587 596 2HG1 ILE 72 1HG1 ILE 72 10.976 -4.454 0.986 597 1HG2 ILE 72 1HG2 ILE 72 9.412 -2.303 2.892 598 2HG2 ILE 72 2HG2 ILE 72 9.566 -2.074 1.151 599 3HG2 ILE 72 3HG2 ILE 72 10.233 -0.877 2.261 600 1HD1 ILE 72 1HD1 ILE 72 12.697 -4.545 3.419 601 2HD1 ILE 72 2HD1 ILE 72 13.026 -5.132 1.789 602 3HD1 ILE 72 3HD1 ILE 72 11.901 -6.005 2.830 603 H GLU 73 H GLU 73 11.018 -0.304 -0.081 604 HA GLU 73 HA GLU 73 12.514 1.793 1.334 605 1HB GLU 73 2HB GLU 73 12.070 1.485 -1.607 606 2HB GLU 73 1HB GLU 73 12.115 3.102 -0.918 607 1HG GLU 73 2HG GLU 73 14.306 2.923 -1.368 608 2HG GLU 73 1HG GLU 73 14.332 2.097 0.189 609 H VAL 74 H VAL 74 11.296 3.549 1.986 610 HA VAL 74 HA VAL 74 8.410 3.365 1.428 611 HB VAL 74 HB VAL 74 7.994 4.372 3.612 612 1HG1 VAL 74 1HG1 VAL 74 9.392 1.795 3.292 613 2HG1 VAL 74 2HG1 VAL 74 7.793 2.148 3.949 614 3HG1 VAL 74 3HG1 VAL 74 9.228 2.393 4.944 615 1HG2 VAL 74 1HG2 VAL 74 10.717 3.940 4.625 616 2HG2 VAL 74 2HG2 VAL 74 9.563 5.227 4.977 617 3HG2 VAL 74 3HG2 VAL 74 10.541 5.296 3.512 618 H GLU 75 H GLU 75 7.228 5.260 1.164 619 HA GLU 75 HA GLU 75 8.769 7.740 0.839 620 1HB GLU 75 2HB GLU 75 8.504 6.836 -1.388 621 2HB GLU 75 1HB GLU 75 6.788 6.566 -1.121 622 1HG GLU 75 2HG GLU 75 6.294 8.610 -1.803 623 2HG GLU 75 1HG GLU 75 7.440 9.325 -0.670 624 H PHE 76 H PHE 76 7.939 9.199 2.183 625 HA PHE 76 HA PHE 76 5.192 8.947 3.095 626 1HB PHE 76 2HB PHE 76 7.535 10.626 3.953 627 2HB PHE 76 1HB PHE 76 5.909 10.972 4.534 628 HD1 PHE 76 1HD PHE 76 8.630 8.499 4.528 629 HD2 PHE 76 2HD PHE 76 4.860 9.600 6.171 630 HE1 PHE 76 1HE PHE 76 8.903 6.799 6.285 631 HE2 PHE 76 2HE PHE 76 5.128 7.902 7.931 632 HZ PHE 76 HZ PHE 76 7.151 6.499 7.990 633 H ASP 77 H ASP 77 3.571 10.404 2.747 634 HA ASP 77 HA ASP 77 3.902 12.146 0.453 635 1HB ASP 77 2HB ASP 77 1.830 10.574 1.322 636 2HB ASP 77 1HB ASP 77 1.307 12.174 1.836 637 H LYS 78 H LYS 78 2.010 14.115 1.015 638 HA LYS 78 HA LYS 78 3.582 15.844 2.733 639 1HB LYS 78 2HB LYS 78 1.221 16.342 0.921 640 2HB LYS 78 1HB LYS 78 1.928 17.591 1.935 641 1HG LYS 78 2HG LYS 78 2.804 17.793 -0.285 642 2HG LYS 78 1HG LYS 78 4.092 17.243 0.789 643 1HD LYS 78 2HD LYS 78 4.188 15.169 -0.164 644 2HD LYS 78 1HD LYS 78 2.481 15.178 -0.611 645 1HE LYS 78 2HE LYS 78 3.370 17.172 -2.174 646 2HE LYS 78 1HE LYS 78 4.837 16.201 -2.072 647 1HZ LYS 78 1HZ LYS 78 2.233 15.514 -3.248 648 2HZ LYS 78 2HZ LYS 78 3.213 14.275 -2.641 649 3HZ LYS 78 3HZ LYS 78 3.789 15.281 -3.873 650 H GLY 79 H GLY 79 0.773 13.914 2.985 651 1HA GLY 79 2HA GLY 79 -0.739 15.407 4.832 652 2HA GLY 79 1HA GLY 79 -0.804 13.663 4.632 653 H GLN 80 H GLN 80 -0.824 12.992 6.710 654 HA GLN 80 HA GLN 80 1.144 14.072 8.577 655 1HB GLN 80 2HB GLN 80 -0.110 12.909 10.304 656 2HB GLN 80 1HB GLN 80 -1.198 13.872 9.313 657 1HG GLN 80 2HG GLN 80 -1.376 11.548 8.007 658 2HG GLN 80 1HG GLN 80 -0.995 10.944 9.620 659 1HE2 GLN 80 1HE2 GLN 80 -2.313 12.116 11.383 660 2HE2 GLN 80 2HE2 GLN 80 -4.006 12.256 11.068 661 H ARG 81 H ARG 81 2.512 12.704 9.824 662 HA ARG 81 HA ARG 81 3.565 10.485 8.288 663 1HB ARG 81 2HB ARG 81 4.775 12.392 9.768 664 2HB ARG 81 1HB ARG 81 4.685 11.103 10.960 665 1HG ARG 81 2HG ARG 81 6.285 9.908 9.962 666 2HG ARG 81 1HG ARG 81 5.647 10.222 8.347 667 1HD ARG 81 2HD ARG 81 7.439 11.523 8.060 668 2HD ARG 81 1HD ARG 81 6.620 12.677 9.111 669 HE ARG 81 HE ARG 81 8.908 11.045 9.758 670 1HH1 ARG 81 1HH1 ARG 81 6.244 12.910 11.031 671 2HH1 ARG 81 2HH1 ARG 81 7.003 13.178 12.564 672 1HH2 ARG 81 1HH2 ARG 81 9.905 11.398 11.774 673 2HH2 ARG 81 2HH2 ARG 81 9.081 12.321 12.986 674 H THR 82 H THR 82 1.628 11.005 11.103 675 HA THR 82 HA THR 82 1.359 8.108 11.445 676 HB THR 82 HB THR 82 1.613 8.182 13.792 677 HG1 THR 82 1HG THR 82 1.744 11.008 13.661 678 1HG2 THR 82 1HG2 THR 82 3.701 10.200 13.371 679 2HG2 THR 82 2HG2 THR 82 3.744 8.818 12.276 680 3HG2 THR 82 3HG2 THR 82 3.808 8.563 14.020 681 H ASP 83 H ASP 83 -0.710 7.752 10.952 682 HA ASP 83 HA ASP 83 -2.746 9.722 11.187 683 1HB ASP 83 2HB ASP 83 -2.721 7.863 9.509 684 2HB ASP 83 1HB ASP 83 -3.104 6.747 10.816 685 H LYS 84 H LYS 84 -2.053 10.009 13.574 686 HA LYS 84 HA LYS 84 -2.473 9.787 15.809 687 1HB LYS 84 2HB LYS 84 -4.739 10.418 14.555 688 2HB LYS 84 1HB LYS 84 -5.238 8.866 15.213 689 1HG LYS 84 2HG LYS 84 -5.894 10.589 16.731 690 2HG LYS 84 1HG LYS 84 -4.580 9.667 17.465 691 1HD LYS 84 2HD LYS 84 -3.693 11.696 17.866 692 2HD LYS 84 1HD LYS 84 -3.194 11.612 16.175 693 1HE LYS 84 2HE LYS 84 -5.655 12.588 15.836 694 2HE LYS 84 1HE LYS 84 -5.335 13.213 17.453 695 1HZ LYS 84 1HZ LYS 84 -4.403 14.882 16.298 696 2HZ LYS 84 2HZ LYS 84 -4.142 13.948 14.912 697 3HZ LYS 84 3HZ LYS 84 -3.068 13.847 16.215 698 H TYR 85 H TYR 85 -1.519 7.354 14.461 699 HA TYR 85 HA TYR 85 -2.587 5.383 16.372 700 1HB TYR 85 2HB TYR 85 -1.899 5.038 13.464 701 2HB TYR 85 1HB TYR 85 -1.911 3.667 14.568 702 HD1 TYR 85 2HD TYR 85 -4.171 3.781 16.160 703 HD2 TYR 85 1HD TYR 85 -3.789 5.207 12.171 704 HE1 TYR 85 2HE TYR 85 -6.600 3.549 15.851 705 HE2 TYR 85 1HE TYR 85 -6.217 4.982 11.851 706 HH TYR 85 HH TYR 85 -8.262 4.921 13.248 707 H GLY 86 H GLY 86 -0.098 7.260 16.087 708 1HA GLY 86 2HA GLY 86 2.111 7.175 16.696 709 2HA GLY 86 1HA GLY 86 1.681 5.714 17.570 710 H ARG 87 H ARG 87 1.150 5.763 14.163 711 HA ARG 87 HA ARG 87 3.492 4.014 13.802 712 1HB ARG 87 2HB ARG 87 0.979 4.026 12.130 713 2HB ARG 87 1HB ARG 87 2.278 2.842 12.095 714 1HG ARG 87 2HG ARG 87 1.541 2.660 14.679 715 2HG ARG 87 1HG ARG 87 0.002 3.106 13.940 716 1HD ARG 87 2HD ARG 87 0.934 1.202 12.216 717 2HD ARG 87 1HD ARG 87 1.523 0.611 13.768 718 HE ARG 87 HE ARG 87 -1.203 0.703 12.870 719 1HH1 ARG 87 1HH1 ARG 87 0.883 0.636 15.666 720 2HH1 ARG 87 2HH1 ARG 87 -0.328 -0.030 16.709 721 1HH2 ARG 87 1HH2 ARG 87 -2.797 -0.173 14.240 722 2HH2 ARG 87 2HH2 ARG 87 -2.417 -0.490 15.899 723 H GLY 88 H GLY 88 4.114 3.920 11.362 724 1HA GLY 88 2HA GLY 88 4.305 6.714 10.418 725 2HA GLY 88 1HA GLY 88 5.579 5.519 10.215 726 H LEU 89 H LEU 89 2.302 6.400 9.213 727 HA LEU 89 HA LEU 89 2.038 4.401 7.254 728 1HB LEU 89 2HB LEU 89 0.303 5.921 6.256 729 2HB LEU 89 1HB LEU 89 0.055 5.473 7.930 730 HG LEU 89 HG LEU 89 1.012 7.697 8.591 731 1HD1 LEU 89 1HD1 LEU 89 2.172 8.745 6.990 732 2HD1 LEU 89 2HD1 LEU 89 0.597 9.269 6.396 733 3HD1 LEU 89 3HD1 LEU 89 1.375 7.852 5.696 734 1HD2 LEU 89 1HD2 LEU 89 -1.265 8.388 6.865 735 2HD2 LEU 89 2HD2 LEU 89 -1.064 8.563 8.608 736 3HD2 LEU 89 3HD2 LEU 89 -1.519 7.002 7.924 737 H ALA 90 H ALA 90 2.439 4.353 5.081 738 HA ALA 90 HA ALA 90 3.274 6.452 3.457 739 1HB ALA 90 1HB ALA 90 5.252 5.956 5.275 740 2HB ALA 90 2HB ALA 90 5.492 6.695 3.692 741 3HB ALA 90 3HB ALA 90 5.756 4.964 3.907 742 H TYR 91 H TYR 91 4.366 5.635 1.419 743 HA TYR 91 HA TYR 91 3.040 3.212 0.604 744 1HB TYR 91 2HB TYR 91 4.854 5.125 -0.876 745 2HB TYR 91 1HB TYR 91 4.080 3.732 -1.623 746 HD1 TYR 91 2HD TYR 91 3.295 6.854 0.252 747 HD2 TYR 91 1HD TYR 91 1.957 3.950 -2.554 748 HE1 TYR 91 2HE TYR 91 1.298 8.218 -0.199 749 HE2 TYR 91 1HE TYR 91 -0.043 5.305 -3.013 750 HH TYR 91 HH TYR 91 -0.352 8.518 -2.026 751 H ILE 92 H ILE 92 3.893 1.231 0.420 752 HA ILE 92 HA ILE 92 6.723 0.899 1.107 753 HB ILE 92 HB ILE 92 4.612 -1.250 0.954 754 1HG1 ILE 92 2HG1 ILE 92 4.045 0.531 2.613 755 2HG1 ILE 92 1HG1 ILE 92 4.334 -1.044 3.343 756 1HG2 ILE 92 1HG2 ILE 92 7.216 -1.251 2.461 757 2HG2 ILE 92 2HG2 ILE 92 7.042 -1.885 0.825 758 3HG2 ILE 92 3HG2 ILE 92 6.138 -2.612 2.153 759 1HD1 ILE 92 1HD1 ILE 92 6.715 0.637 3.183 760 2HD1 ILE 92 2HD1 ILE 92 6.066 -0.297 4.531 761 3HD1 ILE 92 3HD1 ILE 92 5.420 1.306 4.177 762 H TYR 93 H TYR 93 8.183 0.083 -0.269 763 HA TYR 93 HA TYR 93 7.237 -1.095 -2.788 764 1HB TYR 93 2HB TYR 93 9.527 0.870 -2.579 765 2HB TYR 93 1HB TYR 93 8.898 0.138 -4.052 766 HD1 TYR 93 1HD TYR 93 8.079 2.490 -1.309 767 HD2 TYR 93 2HD TYR 93 7.067 1.093 -5.198 768 HE1 TYR 93 1HE TYR 93 6.530 4.380 -1.577 769 HE2 TYR 93 2HE TYR 93 5.514 2.980 -5.477 770 HH TYR 93 HH TYR 93 5.386 5.436 -4.385 771 H ALA 94 H ALA 94 8.226 -2.943 -3.329 772 HA ALA 94 HA ALA 94 10.556 -3.756 -1.730 773 1HB ALA 94 1HB ALA 94 8.142 -5.091 -2.458 774 2HB ALA 94 2HB ALA 94 9.440 -5.645 -1.401 775 3HB ALA 94 3HB ALA 94 9.512 -5.974 -3.133 776 H ASP 95 H ASP 95 12.465 -4.050 -2.665 777 HA ASP 95 HA ASP 95 14.085 -3.833 -4.274 778 1HB ASP 95 2HB ASP 95 13.211 -6.267 -4.287 779 2HB ASP 95 1HB ASP 95 12.472 -5.838 -5.827 780 H GLY 96 H GLY 96 12.277 -1.773 -4.615 781 1HA GLY 96 2HA GLY 96 11.948 -0.112 -6.186 782 2HA GLY 96 1HA GLY 96 12.713 -1.146 -7.381 783 H LYS 97 H LYS 97 10.053 -2.439 -5.594 784 HA LYS 97 HA LYS 97 8.339 -2.097 -7.966 785 1HB LYS 97 2HB LYS 97 9.005 -4.424 -7.634 786 2HB LYS 97 1HB LYS 97 8.412 -4.376 -5.980 787 1HG LYS 97 2HG LYS 97 6.201 -4.394 -6.627 788 2HG LYS 97 1HG LYS 97 6.561 -3.774 -8.240 789 1HD LYS 97 2HD LYS 97 7.785 -5.975 -8.633 790 2HD LYS 97 1HD LYS 97 6.992 -6.548 -7.164 791 1HE LYS 97 2HE LYS 97 4.842 -5.622 -8.383 792 2HE LYS 97 1HE LYS 97 5.830 -5.881 -9.822 793 1HZ LYS 97 1HZ LYS 97 4.739 -7.883 -9.568 794 2HZ LYS 97 2HZ LYS 97 4.836 -7.861 -7.880 795 3HZ LYS 97 3HZ LYS 97 6.214 -8.197 -8.800 796 H MET 98 H MET 98 6.026 -1.980 -7.558 797 HA MET 98 HA MET 98 5.474 -0.412 -5.166 798 1HB MET 98 2HB MET 98 3.777 -0.962 -7.608 799 2HB MET 98 1HB MET 98 3.331 0.112 -6.290 800 1HG MET 98 2HG MET 98 5.522 1.342 -6.836 801 2HG MET 98 1HG MET 98 5.460 0.458 -8.360 802 1HE MET 98 1HE MET 98 4.036 3.864 -6.663 803 2HE MET 98 2HE MET 98 3.462 2.399 -5.866 804 3HE MET 98 3HE MET 98 2.340 3.397 -6.791 805 H VAL 99 H VAL 99 4.836 -1.459 -3.405 806 HA VAL 99 HA VAL 99 3.719 -4.086 -3.473 807 HB VAL 99 HB VAL 99 3.773 -2.174 -1.135 808 1HG1 VAL 99 1HG1 VAL 99 2.531 -3.835 -0.262 809 2HG1 VAL 99 2HG1 VAL 99 4.080 -4.664 -0.115 810 3HG1 VAL 99 3HG1 VAL 99 3.029 -4.996 -1.492 811 1HG2 VAL 99 1HG2 VAL 99 5.820 -4.272 -1.297 812 2HG2 VAL 99 2HG2 VAL 99 5.953 -2.593 -0.777 813 3HG2 VAL 99 3HG2 VAL 99 5.981 -2.988 -2.495 814 H ASN 100 H ASN 100 2.413 -0.882 -2.645 815 HA ASN 100 HA ASN 100 -0.192 -1.669 -2.041 816 1HB ASN 100 2HB ASN 100 -0.780 0.718 -2.768 817 2HB ASN 100 1HB ASN 100 0.400 0.541 -1.473 818 1HD2 ASN 100 1HD2 ASN 100 2.492 1.164 -1.802 819 2HD2 ASN 100 2HD2 ASN 100 3.018 2.016 -3.209 820 H GLU 101 H GLU 101 1.199 -0.652 -5.147 821 HA GLU 101 HA GLU 101 -1.155 -0.811 -6.660 822 1HB GLU 101 2HB GLU 101 1.760 -0.837 -7.276 823 2HB GLU 101 1HB GLU 101 0.647 -1.326 -8.546 824 1HG GLU 101 2HG GLU 101 -0.514 0.967 -7.646 825 2HG GLU 101 1HG GLU 101 1.201 1.321 -7.443 826 H ALA 102 H ALA 102 1.399 -3.228 -6.123 827 HA ALA 102 HA ALA 102 0.320 -5.245 -7.740 828 1HB ALA 102 1HB ALA 102 2.635 -5.144 -6.717 829 2HB ALA 102 2HB ALA 102 1.842 -6.720 -6.705 830 3HB ALA 102 3HB ALA 102 1.899 -5.750 -5.233 831 H LEU 103 H LEU 103 -0.171 -4.521 -4.306 832 HA LEU 103 HA LEU 103 -1.726 -6.765 -3.670 833 1HB LEU 103 2HB LEU 103 -1.424 -4.029 -2.504 834 2HB LEU 103 1HB LEU 103 -2.693 -5.081 -1.907 835 HG LEU 103 HG LEU 103 0.013 -6.269 -2.033 836 1HD1 LEU 103 1HD1 LEU 103 -0.675 -3.932 -0.298 837 2HD1 LEU 103 2HD1 LEU 103 0.812 -4.269 -1.184 838 3HD1 LEU 103 3HD1 LEU 103 0.429 -5.182 0.275 839 1HD2 LEU 103 1HD2 LEU 103 -2.485 -6.749 -0.762 840 2HD2 LEU 103 2HD2 LEU 103 -1.267 -6.496 0.488 841 3HD2 LEU 103 3HD2 LEU 103 -1.025 -7.740 -0.739 842 H VAL 104 H VAL 104 -2.770 -3.470 -4.548 843 HA VAL 104 HA VAL 104 -5.532 -4.123 -4.619 844 HB VAL 104 HB VAL 104 -4.179 -1.825 -6.027 845 1HG1 VAL 104 1HG1 VAL 104 -6.726 -2.598 -6.302 846 2HG1 VAL 104 2HG1 VAL 104 -6.225 -0.907 -6.341 847 3HG1 VAL 104 3HG1 VAL 104 -6.884 -1.598 -4.858 848 1HG2 VAL 104 1HG2 VAL 104 -3.537 -1.178 -3.983 849 2HG2 VAL 104 2HG2 VAL 104 -4.576 -2.360 -3.185 850 3HG2 VAL 104 3HG2 VAL 104 -5.241 -0.813 -3.710 851 H ARG 105 H ARG 105 -3.072 -3.727 -7.150 852 HA ARG 105 HA ARG 105 -4.738 -4.161 -9.356 853 1HB ARG 105 2HB ARG 105 -2.358 -3.305 -9.379 854 2HB ARG 105 1HB ARG 105 -1.836 -4.972 -9.172 855 1HG ARG 105 2HG ARG 105 -3.305 -5.401 -11.281 856 2HG ARG 105 1HG ARG 105 -3.110 -3.665 -11.528 857 1HD ARG 105 2HD ARG 105 -0.565 -4.322 -11.022 858 2HD ARG 105 1HD ARG 105 -1.123 -5.849 -11.704 859 HE ARG 105 HE ARG 105 -1.822 -3.541 -13.274 860 1HH1 ARG 105 1HH1 ARG 105 0.624 -5.952 -12.649 861 2HH1 ARG 105 2HH1 ARG 105 1.345 -5.806 -14.215 862 1HH2 ARG 105 1HH2 ARG 105 -0.874 -3.348 -15.336 863 2HH2 ARG 105 2HH2 ARG 105 0.496 -4.327 -15.741 864 H GLN 106 H GLN 106 -3.272 -6.375 -7.104 865 HA GLN 106 HA GLN 106 -3.949 -8.694 -8.729 866 1HB GLN 106 2HB GLN 106 -2.567 -8.381 -6.065 867 2HB GLN 106 1HB GLN 106 -2.974 -9.949 -6.749 868 1HG GLN 106 2HG GLN 106 -1.410 -8.021 -8.390 869 2HG GLN 106 1HG GLN 106 -0.604 -8.900 -7.092 870 1HE2 GLN 106 1HE2 GLN 106 0.174 -10.832 -7.553 871 2HE2 GLN 106 2HE2 GLN 106 -0.254 -11.797 -8.921 872 H GLY 107 H GLY 107 -5.136 -6.918 -5.982 873 1HA GLY 107 2HA GLY 107 -7.443 -7.036 -5.367 874 2HA GLY 107 1HA GLY 107 -7.468 -8.706 -5.914 875 H LEU 108 H LEU 108 -5.674 -6.729 -3.543 876 HA LEU 108 HA LEU 108 -6.299 -8.761 -1.517 877 1HB LEU 108 2HB LEU 108 -3.612 -7.733 -2.322 878 2HB LEU 108 1HB LEU 108 -3.892 -8.158 -0.645 879 HG LEU 108 HG LEU 108 -2.889 -10.037 -1.725 880 1HD1 LEU 108 1HD1 LEU 108 -5.130 -10.211 -0.266 881 2HD1 LEU 108 2HD1 LEU 108 -4.261 -11.617 -0.881 882 3HD1 LEU 108 3HD1 LEU 108 -5.675 -11.007 -1.743 883 1HD2 LEU 108 1HD2 LEU 108 -4.068 -9.149 -4.010 884 2HD2 LEU 108 2HD2 LEU 108 -5.052 -10.563 -3.633 885 3HD2 LEU 108 3HD2 LEU 108 -3.307 -10.728 -3.819 886 H ALA 109 H ALA 109 -5.123 -5.484 -2.173 887 HA ALA 109 HA ALA 109 -6.201 -4.645 0.439 888 1HB ALA 109 1HB ALA 109 -3.658 -4.367 -0.331 889 2HB ALA 109 2HB ALA 109 -4.470 -3.214 0.728 890 3HB ALA 109 3HB ALA 109 -4.319 -2.873 -0.995 891 H LYS 110 H LYS 110 -7.196 -2.536 0.541 892 HA LYS 110 HA LYS 110 -8.378 -1.692 -2.024 893 1HB LYS 110 2HB LYS 110 -10.405 -1.054 -0.731 894 2HB LYS 110 1HB LYS 110 -10.084 -2.782 -0.717 895 1HG LYS 110 2HG LYS 110 -10.316 -2.684 1.486 896 2HG LYS 110 1HG LYS 110 -8.761 -1.852 1.523 897 1HD LYS 110 2HD LYS 110 -9.928 -0.232 2.566 898 2HD LYS 110 1HD LYS 110 -10.424 0.203 0.929 899 1HE LYS 110 2HE LYS 110 -12.454 0.088 2.011 900 2HE LYS 110 1HE LYS 110 -12.318 -1.538 1.340 901 1HZ LYS 110 1HZ LYS 110 -11.328 -0.983 4.057 902 2HZ LYS 110 2HZ LYS 110 -11.872 -2.442 3.396 903 3HZ LYS 110 3HZ LYS 110 -12.983 -1.231 3.801 904 H VAL 111 H VAL 111 -9.490 0.604 -1.589 905 HA VAL 111 HA VAL 111 -7.308 2.376 -1.061 906 HB VAL 111 HB VAL 111 -10.201 3.111 -1.515 907 1HG1 VAL 111 1HG1 VAL 111 -7.685 4.618 -1.277 908 2HG1 VAL 111 2HG1 VAL 111 -9.346 5.123 -0.969 909 3HG1 VAL 111 3HG1 VAL 111 -8.726 5.087 -2.620 910 1HG2 VAL 111 1HG2 VAL 111 -8.117 3.076 -3.664 911 2HG2 VAL 111 2HG2 VAL 111 -9.874 3.054 -3.810 912 3HG2 VAL 111 3HG2 VAL 111 -9.016 1.612 -3.268 913 H ALA 112 H ALA 112 -6.717 3.130 0.848 914 HA ALA 112 HA ALA 112 -8.257 2.731 3.209 915 1HB ALA 112 1HB ALA 112 -5.670 4.118 2.612 916 2HB ALA 112 2HB ALA 112 -5.963 2.672 3.577 917 3HB ALA 112 3HB ALA 112 -6.420 4.257 4.202 918 H TYR 113 H TYR 113 -7.875 5.368 0.968 919 HA TYR 113 HA TYR 113 -8.935 7.369 0.758 920 1HB TYR 113 2HB TYR 113 -10.867 5.698 1.662 921 2HB TYR 113 1HB TYR 113 -10.858 6.894 2.955 922 HD1 TYR 113 2HD TYR 113 -10.377 7.258 -0.730 923 HD2 TYR 113 1HD TYR 113 -12.735 8.224 2.677 924 HE1 TYR 113 2HE TYR 113 -11.753 8.755 -2.113 925 HE2 TYR 113 1HE TYR 113 -14.118 9.723 1.304 926 HH TYR 113 HH TYR 113 -13.749 11.059 -0.906 927 H VAL 114 H VAL 114 -7.372 8.744 1.469 928 HA VAL 114 HA VAL 114 -7.562 9.588 4.285 929 HB VAL 114 HB VAL 114 -5.011 9.573 2.677 930 1HG1 VAL 114 1HG1 VAL 114 -4.520 11.087 4.276 931 2HG1 VAL 114 2HG1 VAL 114 -4.267 9.648 5.263 932 3HG1 VAL 114 3HG1 VAL 114 -5.796 10.522 5.354 933 1HG2 VAL 114 1HG2 VAL 114 -5.995 7.284 3.240 934 2HG2 VAL 114 2HG2 VAL 114 -5.649 7.685 4.921 935 3HG2 VAL 114 3HG2 VAL 114 -4.336 7.600 3.747 936 H TYR 115 H TYR 115 -8.586 11.494 4.184 937 HA TYR 115 HA TYR 115 -7.841 13.395 2.077 938 1HB TYR 115 2HB TYR 115 -9.898 14.625 2.798 939 2HB TYR 115 1HB TYR 115 -10.211 13.001 2.194 940 HD1 TYR 115 2HD TYR 115 -10.116 15.126 5.193 941 HD2 TYR 115 1HD TYR 115 -11.073 11.282 3.641 942 HE1 TYR 115 2HE TYR 115 -11.322 14.596 7.269 943 HE2 TYR 115 1HE TYR 115 -12.283 10.741 5.713 944 HH TYR 115 HH TYR 115 -12.371 11.428 8.027 945 H LYS 116 H LYS 116 -6.112 12.882 4.330 946 HA LYS 116 HA LYS 116 -6.257 15.473 5.723 947 1HB LYS 116 2HB LYS 116 -4.751 13.035 6.664 948 2HB LYS 116 1HB LYS 116 -5.106 14.496 7.576 949 1HG LYS 116 2HG LYS 116 -7.595 13.789 7.096 950 2HG LYS 116 1HG LYS 116 -6.862 12.193 6.922 951 1HD LYS 116 2HD LYS 116 -5.916 12.342 9.141 952 2HD LYS 116 1HD LYS 116 -6.506 13.996 9.315 953 1HE LYS 116 2HE LYS 116 -7.871 12.192 10.450 954 2HE LYS 116 1HE LYS 116 -8.754 13.293 9.392 955 1HZ LYS 116 1HZ LYS 116 -8.982 10.652 9.272 956 2HZ LYS 116 2HZ LYS 116 -7.737 10.872 8.149 957 3HZ LYS 116 3HZ LYS 116 -9.217 11.661 7.933 958 H GLY 117 H GLY 117 -5.094 14.953 3.080 959 1HA GLY 117 2HA GLY 117 -3.238 16.361 2.336 960 2HA GLY 117 1HA GLY 117 -2.319 15.749 3.703 961 H ASN 118 H ASN 118 -2.824 13.034 3.516 962 HA ASN 118 HA ASN 118 -1.021 12.306 1.429 963 1HB ASN 118 2HB ASN 118 -2.689 10.384 3.049 964 2HB ASN 118 1HB ASN 118 -1.113 10.106 2.314 965 1HD2 ASN 118 1HD2 ASN 118 0.730 10.941 3.296 966 2HD2 ASN 118 2HD2 ASN 118 0.728 11.477 4.939 967 H ASN 119 H ASN 119 -2.582 13.347 -0.197 968 HA ASN 119 HA ASN 119 -4.086 11.175 -1.449 969 1HB ASN 119 2HB ASN 119 -5.458 13.056 -0.057 970 2HB ASN 119 1HB ASN 119 -5.383 13.826 -1.639 971 1HD2 ASN 119 1HD2 ASN 119 -7.745 13.526 -1.427 972 2HD2 ASN 119 2HD2 ASN 119 -8.424 12.038 -1.982 973 H THR 120 H THR 120 -1.596 11.956 -2.210 974 HA THR 120 HA THR 120 -1.946 13.770 -4.485 975 HB THR 120 HB THR 120 0.650 12.553 -3.558 976 HG1 THR 120 1HG THR 120 -0.714 14.822 -2.573 977 1HG2 THR 120 1HG2 THR 120 0.153 14.070 -5.747 978 2HG2 THR 120 2HG2 THR 120 1.701 13.987 -4.904 979 3HG2 THR 120 3HG2 THR 120 0.575 15.300 -4.555 980 H HIS 121 H HIS 121 -0.839 10.494 -3.708 981 HA HIS 121 HA HIS 121 -0.672 9.844 -6.548 982 1HB HIS 121 2HB HIS 121 0.149 8.403 -4.036 983 2HB HIS 121 1HB HIS 121 0.107 7.586 -5.596 984 HD1 HIS 121 1HD HIS 121 2.780 7.433 -4.805 985 HD2 HIS 121 2HD HIS 121 1.352 11.062 -6.237 986 HE1 HIS 121 1HE HIS 121 4.820 8.737 -5.484 987 HE2 HIS 121 2HE HIS 121 3.936 10.963 -6.267 988 H GLU 122 H GLU 122 -3.215 10.235 -4.807 989 HA GLU 122 HA GLU 122 -4.553 7.787 -4.590 990 1HB GLU 122 2HB GLU 122 -5.187 10.160 -3.727 991 2HB GLU 122 1HB GLU 122 -5.999 10.323 -5.278 992 1HG GLU 122 2HG GLU 122 -7.027 7.990 -4.564 993 2HG GLU 122 1HG GLU 122 -6.663 8.610 -2.954 994 H GLN 123 H GLN 123 -3.680 9.560 -7.373 995 HA GLN 123 HA GLN 123 -5.789 8.787 -9.101 996 1HB GLN 123 2HB GLN 123 -2.941 9.513 -9.808 997 2HB GLN 123 1HB GLN 123 -4.310 9.492 -10.911 998 1HG GLN 123 2HG GLN 123 -5.252 11.168 -9.034 999 2HG GLN 123 1HG GLN 123 -3.524 11.489 -8.897 1000 1HE2 GLN 123 1HE2 GLN 123 -2.740 12.983 -10.191 1001 2HE2 GLN 123 2HE2 GLN 123 -3.442 13.515 -11.678 1002 H LEU 124 H LEU 124 -2.469 7.528 -8.741 1003 HA LEU 124 HA LEU 124 -2.863 5.353 -10.514 1004 1HB LEU 124 2HB LEU 124 -0.765 4.462 -9.504 1005 2HB LEU 124 1HB LEU 124 -0.639 6.099 -10.118 1006 HG LEU 124 HG LEU 124 -1.317 5.906 -7.258 1007 1HD1 LEU 124 1HD1 LEU 124 0.200 4.064 -7.299 1008 2HD1 LEU 124 2HD1 LEU 124 1.060 5.459 -6.647 1009 3HD1 LEU 124 3HD1 LEU 124 1.337 4.952 -8.313 1010 1HD2 LEU 124 1HD2 LEU 124 -0.830 8.055 -7.744 1011 2HD2 LEU 124 2HD2 LEU 124 0.205 7.627 -9.106 1012 3HD2 LEU 124 3HD2 LEU 124 0.827 7.521 -7.459 1013 H LEU 125 H LEU 125 -3.286 5.753 -7.053 1014 HA LEU 125 HA LEU 125 -3.581 2.997 -6.440 1015 1HB LEU 125 2HB LEU 125 -4.779 5.304 -4.917 1016 2HB LEU 125 1HB LEU 125 -4.369 3.714 -4.300 1017 HG LEU 125 HG LEU 125 -2.193 5.429 -5.418 1018 1HD1 LEU 125 1HD1 LEU 125 -2.027 6.047 -2.814 1019 2HD1 LEU 125 2HD1 LEU 125 -3.780 5.984 -2.994 1020 3HD1 LEU 125 3HD1 LEU 125 -2.828 7.070 -4.005 1021 1HD2 LEU 125 1HD2 LEU 125 -1.897 3.860 -2.942 1022 2HD2 LEU 125 2HD2 LEU 125 -0.818 4.014 -4.329 1023 3HD2 LEU 125 3HD2 LEU 125 -2.208 2.932 -4.409 1024 H ARG 126 H ARG 126 -5.967 5.604 -6.886 1025 HA ARG 126 HA ARG 126 -8.255 4.020 -6.591 1026 1HB ARG 126 2HB ARG 126 -8.141 6.542 -6.613 1027 2HB ARG 126 1HB ARG 126 -8.020 6.452 -8.364 1028 1HG ARG 126 2HG ARG 126 -10.231 6.483 -8.449 1029 2HG ARG 126 1HG ARG 126 -10.231 4.883 -7.706 1030 1HD ARG 126 2HD ARG 126 -9.889 7.150 -5.857 1031 2HD ARG 126 1HD ARG 126 -11.459 7.049 -6.653 1032 HE ARG 126 HE ARG 126 -10.725 4.526 -5.610 1033 1HH1 ARG 126 1HH1 ARG 126 -11.841 7.675 -4.602 1034 2HH1 ARG 126 2HH1 ARG 126 -12.621 7.080 -3.175 1035 1HH2 ARG 126 1HH2 ARG 126 -11.749 3.742 -3.733 1036 2HH2 ARG 126 2HH2 ARG 126 -12.567 4.847 -2.680 1037 H LYS 127 H LYS 127 -6.169 4.586 -9.342 1038 HA LYS 127 HA LYS 127 -7.881 3.550 -11.337 1039 1HB LYS 127 2HB LYS 127 -5.197 4.544 -11.167 1040 2HB LYS 127 1HB LYS 127 -5.191 3.039 -12.075 1041 1HG LYS 127 2HG LYS 127 -5.639 4.384 -13.810 1042 2HG LYS 127 1HG LYS 127 -7.297 4.276 -13.214 1043 1HD LYS 127 2HD LYS 127 -6.521 6.310 -11.719 1044 2HD LYS 127 1HD LYS 127 -5.341 6.514 -13.016 1045 1HE LYS 127 2HE LYS 127 -7.564 6.177 -14.479 1046 2HE LYS 127 1HE LYS 127 -8.274 6.889 -13.032 1047 1HZ LYS 127 1HZ LYS 127 -6.069 8.067 -14.638 1048 2HZ LYS 127 2HZ LYS 127 -6.744 8.750 -13.245 1049 3HZ LYS 127 3HZ LYS 127 -7.681 8.581 -14.643 1050 H SER 128 H SER 128 -5.376 2.065 -9.323 1051 HA SER 128 HA SER 128 -5.530 -0.501 -10.520 1052 1HB SER 128 2HB SER 128 -4.223 -1.267 -8.612 1053 2HB SER 128 1HB SER 128 -3.590 0.279 -9.177 1054 HG SER 128 HG SER 128 -4.521 1.289 -7.452 1055 H GLU 129 H GLU 129 -7.201 1.036 -7.836 1056 HA GLU 129 HA GLU 129 -8.456 -1.319 -6.859 1057 1HB GLU 129 2HB GLU 129 -8.142 0.841 -5.589 1058 2HB GLU 129 1HB GLU 129 -9.444 1.517 -6.556 1059 1HG GLU 129 2HG GLU 129 -10.571 -0.785 -5.623 1060 2HG GLU 129 1HG GLU 129 -9.542 -0.299 -4.275 1061 H ALA 130 H ALA 130 -9.519 1.286 -9.023 1062 HA ALA 130 HA ALA 130 -12.138 0.361 -9.429 1063 1HB ALA 130 1HB ALA 130 -12.181 1.814 -11.369 1064 2HB ALA 130 2HB ALA 130 -10.422 1.936 -11.344 1065 3HB ALA 130 3HB ALA 130 -11.371 2.621 -10.026 1066 H GLN 131 H GLN 131 -9.123 -0.318 -11.152 1067 HA GLN 131 HA GLN 131 -10.213 -1.806 -13.262 1068 1HB GLN 131 2HB GLN 131 -7.513 -1.723 -11.957 1069 2HB GLN 131 1HB GLN 131 -7.856 -2.918 -13.202 1070 1HG GLN 131 2HG GLN 131 -8.229 0.039 -13.590 1071 2HG GLN 131 1HG GLN 131 -6.746 -0.823 -13.995 1072 1HE2 GLN 131 1HE2 GLN 131 -10.103 -0.356 -14.787 1073 2HE2 GLN 131 2HE2 GLN 131 -10.047 -1.096 -16.347 1074 H ALA 132 H ALA 132 -9.091 -2.793 -10.053 1075 HA ALA 132 HA ALA 132 -9.581 -5.576 -10.496 1076 1HB ALA 132 1HB ALA 132 -9.171 -5.801 -8.075 1077 2HB ALA 132 2HB ALA 132 -9.134 -4.042 -7.937 1078 3HB ALA 132 3HB ALA 132 -7.909 -4.878 -8.891 1079 H LYS 133 H LYS 133 -11.444 -2.882 -9.308 1080 HA LYS 133 HA LYS 133 -13.485 -4.389 -8.031 1081 1HB LYS 133 2HB LYS 133 -12.833 -1.754 -8.096 1082 2HB LYS 133 1HB LYS 133 -14.222 -1.771 -9.174 1083 1HG LYS 133 2HG LYS 133 -14.270 -2.968 -6.418 1084 2HG LYS 133 1HG LYS 133 -14.711 -1.293 -6.757 1085 1HD LYS 133 2HD LYS 133 -16.782 -2.152 -6.996 1086 2HD LYS 133 1HD LYS 133 -16.204 -2.585 -8.606 1087 1HE LYS 133 2HE LYS 133 -17.240 -4.513 -7.632 1088 2HE LYS 133 1HE LYS 133 -15.500 -4.789 -7.697 1089 1HZ LYS 133 1HZ LYS 133 -15.318 -4.317 -5.382 1090 2HZ LYS 133 2HZ LYS 133 -16.553 -5.454 -5.573 1091 3HZ LYS 133 3HZ LYS 133 -16.936 -3.833 -5.281 1092 H LYS 134 H LYS 134 -13.326 -2.800 -11.215 1093 HA LYS 134 HA LYS 134 -15.855 -3.716 -12.087 1094 1HB LYS 134 2HB LYS 134 -13.526 -3.010 -13.869 1095 2HB LYS 134 1HB LYS 134 -15.240 -2.908 -14.249 1096 1HG LYS 134 2HG LYS 134 -15.443 -0.884 -13.330 1097 2HG LYS 134 1HG LYS 134 -14.464 -1.317 -11.928 1098 1HD LYS 134 2HD LYS 134 -12.979 0.116 -12.830 1099 2HD LYS 134 1HD LYS 134 -12.572 -1.255 -13.864 1100 1HE LYS 134 2HE LYS 134 -14.762 -0.055 -15.098 1101 2HE LYS 134 1HE LYS 134 -13.763 1.291 -14.551 1102 1HZ LYS 134 1HZ LYS 134 -12.697 0.910 -16.472 1103 2HZ LYS 134 2HZ LYS 134 -13.243 -0.685 -16.605 1104 3HZ LYS 134 3HZ LYS 134 -11.922 -0.324 -15.612 1105 H GLU 135 H GLU 135 -12.633 -5.075 -12.219 1106 HA GLU 135 HA GLU 135 -13.444 -7.241 -13.962 1107 1HB GLU 135 2HB GLU 135 -10.880 -6.378 -12.691 1108 2HB GLU 135 1HB GLU 135 -11.033 -8.037 -13.252 1109 1HG GLU 135 2HG GLU 135 -11.712 -7.099 -15.487 1110 2HG GLU 135 1HG GLU 135 -11.234 -5.517 -14.873 1111 H LYS 136 H LYS 136 -13.171 -6.631 -10.564 1112 HA LYS 136 HA LYS 136 -13.600 -7.898 -8.724 1113 1HB LYS 136 2HB LYS 136 -14.987 -9.765 -10.654 1114 2HB LYS 136 1HB LYS 136 -15.258 -9.649 -8.922 1115 1HG LYS 136 2HG LYS 136 -15.638 -7.118 -10.311 1116 2HG LYS 136 1HG LYS 136 -16.721 -8.395 -10.868 1117 1HD LYS 136 2HD LYS 136 -16.932 -8.760 -8.220 1118 2HD LYS 136 1HD LYS 136 -16.573 -7.033 -8.246 1119 1HE LYS 136 2HE LYS 136 -18.563 -6.501 -9.166 1120 2HE LYS 136 1HE LYS 136 -18.588 -7.933 -10.193 1121 1HZ LYS 136 1HZ LYS 136 -18.905 -8.405 -7.343 1122 2HZ LYS 136 2HZ LYS 136 -19.696 -9.123 -8.656 1123 3HZ LYS 136 3HZ LYS 136 -20.188 -7.603 -8.102 1124 H LEU 137 H LEU 137 -11.169 -8.247 -9.030 1125 HA LEU 137 HA LEU 137 -10.264 -10.793 -9.932 1126 1HB LEU 137 2HB LEU 137 -9.032 -8.510 -8.445 1127 2HB LEU 137 1HB LEU 137 -8.185 -10.043 -8.526 1128 HG LEU 137 HG LEU 137 -9.148 -8.955 -11.105 1129 1HD1 LEU 137 1HD1 LEU 137 -7.419 -7.340 -11.327 1130 2HD1 LEU 137 2HD1 LEU 137 -6.730 -7.769 -9.763 1131 3HD1 LEU 137 3HD1 LEU 137 -8.296 -6.964 -9.844 1132 1HD2 LEU 137 1HD2 LEU 137 -7.838 -11.072 -10.798 1133 2HD2 LEU 137 2HD2 LEU 137 -6.474 -10.075 -10.295 1134 3HD2 LEU 137 3HD2 LEU 137 -7.130 -9.913 -11.924 1135 H ASN 138 H ASN 138 -9.775 -9.504 -6.657 1136 HA ASN 138 HA ASN 138 -10.700 -12.083 -5.584 1137 1HB ASN 138 2HB ASN 138 -8.110 -10.684 -5.177 1138 2HB ASN 138 1HB ASN 138 -8.827 -11.461 -3.769 1139 1HD2 ASN 138 1HD2 ASN 138 -6.652 -12.592 -4.176 1140 2HD2 ASN 138 2HD2 ASN 138 -6.735 -14.046 -5.107 1141 H ILE 139 H ILE 139 -9.408 -9.190 -3.982 1142 HA ILE 139 HA ILE 139 -11.194 -9.134 -1.884 1143 HB ILE 139 HB ILE 139 -10.694 -6.672 -1.728 1144 1HG1 ILE 139 2HG1 ILE 139 -9.015 -7.275 -4.173 1145 2HG1 ILE 139 1HG1 ILE 139 -10.426 -6.223 -4.125 1146 1HG2 ILE 139 1HG2 ILE 139 -8.419 -7.000 -1.058 1147 2HG2 ILE 139 2HG2 ILE 139 -8.270 -8.420 -2.093 1148 3HG2 ILE 139 3HG2 ILE 139 -9.326 -8.464 -0.680 1149 1HD1 ILE 139 1HD1 ILE 139 -7.664 -5.680 -3.410 1150 2HD1 ILE 139 2HD1 ILE 139 -8.814 -5.167 -2.174 1151 3HD1 ILE 139 3HD1 ILE 139 -8.970 -4.571 -3.828 1152 H TRP 140 H TRP 140 -11.538 -7.711 -5.092 1153 HA TRP 140 HA TRP 140 -14.186 -6.688 -4.380 1154 1HB TRP 140 2HB TRP 140 -12.643 -6.320 -6.954 1155 2HB TRP 140 1HB TRP 140 -14.109 -5.471 -6.478 1156 HD1 TRP 140 HD TRP 140 -10.771 -4.578 -6.917 1157 HE1 TRP 140 1HE TRP 140 -9.937 -2.809 -5.245 1158 HE3 TRP 140 3HE TRP 140 -14.425 -5.024 -3.366 1159 HZ2 TRP 140 2HZ TRP 140 -10.723 -1.742 -2.753 1160 HZ3 TRP 140 3HZ TRP 140 -14.309 -3.593 -1.370 1161 HH2 TRP 140 HH TRP 140 -12.496 -1.986 -1.070 1162 H SER 141 H SER 141 -13.697 -9.540 -4.623 1163 HA SER 141 HA SER 141 -15.324 -10.164 -6.997 1164 1HB SER 141 2HB SER 141 -13.087 -11.252 -6.918 1165 2HB SER 141 1HB SER 141 -13.552 -12.038 -5.410 1166 HG SER 141 HG SER 141 -15.371 -12.909 -6.677 1167 H GLU 142 H GLU 142 -16.351 -9.187 -4.453 1168 HA GLU 142 HA GLU 142 -18.421 -11.123 -4.081 1169 1HB GLU 142 2HB GLU 142 -18.009 -11.313 -1.581 1170 2HB GLU 142 1HB GLU 142 -16.935 -12.235 -2.622 1171 1HG GLU 142 2HG GLU 142 -15.273 -11.336 -1.460 1172 2HG GLU 142 1HG GLU 142 -15.613 -9.845 -2.338 1173 H ASP 143 H ASP 143 -18.109 -8.326 -4.804 1174 HA ASP 143 HA ASP 143 -19.540 -7.023 -2.587 1175 1HB ASP 143 2HB ASP 143 -17.309 -6.101 -3.706 1176 2HB ASP 143 1HB ASP 143 -18.455 -5.439 -4.869 1177 H ASN 144 H ASN 144 -20.996 -5.153 -3.533 1178 HA ASN 144 HA ASN 144 -22.543 -6.235 -5.792 1179 1HB ASN 144 2HB ASN 144 -23.757 -4.947 -3.341 1180 2HB ASN 144 1HB ASN 144 -24.613 -5.712 -4.675 1181 1HD2 ASN 144 1HD2 ASN 144 -23.614 -8.048 -5.067 1182 2HD2 ASN 144 2HD2 ASN 144 -23.591 -9.029 -3.646 1183 H ALA 145 H ALA 145 -22.952 -4.820 -7.363 1184 HA ALA 145 HA ALA 145 -22.109 -2.062 -7.018 1185 1HB ALA 145 1HB ALA 145 -21.344 -2.685 -9.055 1186 2HB ALA 145 2HB ALA 145 -22.941 -2.131 -9.562 1187 3HB ALA 145 3HB ALA 145 -22.644 -3.850 -9.310 1188 H ASP 146 H ASP 146 -25.061 -3.876 -7.684 1189 HA ASP 146 HA ASP 146 -27.258 -3.331 -7.457 1190 1HB ASP 146 2HB ASP 146 -26.359 -0.715 -6.243 1191 2HB ASP 146 1HB ASP 146 -27.912 -1.519 -6.032 1192 H SER 147 H SER 147 -25.741 -0.154 -8.043 1193 HA SER 147 HA SER 147 -27.688 0.477 -10.060 1194 1HB SER 147 2HB SER 147 -26.061 2.507 -10.352 1195 2HB SER 147 1HB SER 147 -27.034 2.375 -8.888 1196 HG SER 147 HG SER 147 -24.821 2.837 -8.453 1197 H GLY 148 H GLY 148 -24.125 0.225 -10.132 1198 1HA GLY 148 2HA GLY 148 -23.210 -1.305 -11.872 1199 2HA GLY 148 1HA GLY 148 -24.365 -0.567 -12.971 1200 H GLN 149 H GLN 149 -24.133 2.052 -12.643 1201 HA GLN 149 HA GLN 149 -21.643 2.650 -13.877 1202 1HB GLN 149 2HB GLN 149 -24.056 4.190 -13.067 1203 2HB GLN 149 1HB GLN 149 -22.571 5.094 -13.336 1204 1HG GLN 149 2HG GLN 149 -23.065 3.203 -15.465 1205 2HG GLN 149 1HG GLN 149 -24.420 4.310 -15.244 1206 1HE2 GLN 149 1HE2 GLN 149 -20.950 4.816 -14.791 1207 2HE2 GLN 149 2HE2 GLN 149 -20.805 6.091 -15.946 Start of MODEL 21 1 1H ALA 1 1HT ALA 1 4.500 3.192 -13.670 2 2H ALA 1 2HT ALA 1 4.144 4.857 -13.893 3 3H ALA 1 3HT ALA 1 5.745 4.280 -14.124 4 HA ALA 1 HA ALA 1 4.717 2.784 -15.865 5 1HB ALA 1 1HB ALA 1 2.658 4.983 -15.805 6 2HB ALA 1 2HB ALA 1 2.391 3.358 -15.172 7 3HB ALA 1 3HB ALA 1 2.714 3.594 -16.890 8 H THR 2 H THR 2 4.600 6.321 -15.469 9 HA THR 2 HA THR 2 6.433 6.539 -17.768 10 HB THR 2 HB THR 2 5.387 8.645 -18.365 11 HG1 THR 2 1HG THR 2 3.705 8.176 -16.132 12 1HG2 THR 2 1HG2 THR 2 3.526 7.853 -19.378 13 2HG2 THR 2 2HG2 THR 2 2.962 7.008 -17.936 14 3HG2 THR 2 3HG2 THR 2 4.259 6.318 -18.914 15 H SER 3 H SER 3 8.326 6.691 -16.634 16 HA SER 3 HA SER 3 9.996 7.650 -15.427 17 1HB SER 3 2HB SER 3 8.259 10.120 -15.659 18 2HB SER 3 1HB SER 3 9.953 10.105 -15.169 19 HG SER 3 HG SER 3 9.770 10.576 -17.375 20 H THR 4 H THR 4 10.439 8.937 -13.324 21 HA THR 4 HA THR 4 8.664 7.832 -11.297 22 HB THR 4 HB THR 4 11.260 9.296 -10.836 23 HG1 THR 4 1HG THR 4 12.333 7.504 -11.259 24 1HG2 THR 4 1HG2 THR 4 11.304 7.519 -8.945 25 2HG2 THR 4 2HG2 THR 4 9.559 7.485 -9.197 26 3HG2 THR 4 3HG2 THR 4 10.357 8.993 -8.751 27 H LYS 5 H LYS 5 8.052 9.134 -9.419 28 HA LYS 5 HA LYS 5 6.928 11.637 -10.238 29 1HB LYS 5 2HB LYS 5 6.235 9.753 -8.386 30 2HB LYS 5 1HB LYS 5 6.915 11.010 -7.362 31 1HG LYS 5 2HG LYS 5 5.211 12.433 -7.745 32 2HG LYS 5 1HG LYS 5 5.016 11.920 -9.423 33 1HD LYS 5 2HD LYS 5 4.253 9.681 -8.071 34 2HD LYS 5 1HD LYS 5 3.696 10.955 -6.985 35 1HE LYS 5 2HE LYS 5 2.108 11.665 -8.421 36 2HE LYS 5 1HE LYS 5 3.119 11.385 -9.838 37 1HZ LYS 5 1HZ LYS 5 1.016 9.916 -9.332 38 2HZ LYS 5 2HZ LYS 5 2.122 9.046 -8.395 39 3HZ LYS 5 3HZ LYS 5 2.398 9.256 -10.050 40 H LYS 6 H LYS 6 7.071 13.263 -8.054 41 HA LYS 6 HA LYS 6 9.845 14.167 -8.200 42 1HB LYS 6 2HB LYS 6 9.006 16.300 -7.367 43 2HB LYS 6 1HB LYS 6 8.078 15.776 -8.764 44 1HG LYS 6 2HG LYS 6 6.565 14.738 -6.808 45 2HG LYS 6 1HG LYS 6 7.250 16.125 -5.957 46 1HD LYS 6 2HD LYS 6 6.570 17.380 -8.179 47 2HD LYS 6 1HD LYS 6 5.424 16.044 -8.307 48 1HE LYS 6 2HE LYS 6 4.520 16.574 -6.120 49 2HE LYS 6 1HE LYS 6 5.714 17.854 -5.912 50 1HZ LYS 6 1HZ LYS 6 3.280 17.825 -7.509 51 2HZ LYS 6 2HZ LYS 6 4.608 18.624 -8.185 52 3HZ LYS 6 3HZ LYS 6 4.014 19.102 -6.676 53 H LEU 7 H LEU 7 9.566 11.937 -6.631 54 HA LEU 7 HA LEU 7 10.536 12.908 -4.110 55 1HB LEU 7 2HB LEU 7 7.850 12.614 -4.173 56 2HB LEU 7 1HB LEU 7 8.324 10.990 -3.713 57 HG LEU 7 HG LEU 7 9.493 11.847 -1.757 58 1HD1 LEU 7 1HD1 LEU 7 8.933 14.450 -3.060 59 2HD1 LEU 7 2HD1 LEU 7 10.347 13.915 -2.151 60 3HD1 LEU 7 3HD1 LEU 7 8.877 14.387 -1.298 61 1HD2 LEU 7 1HD2 LEU 7 6.631 12.398 -2.233 62 2HD2 LEU 7 2HD2 LEU 7 7.344 13.130 -0.796 63 3HD2 LEU 7 3HD2 LEU 7 7.406 11.382 -1.020 64 H HIS 8 H HIS 8 12.078 11.580 -3.400 65 HA HIS 8 HA HIS 8 12.521 9.079 -4.785 66 1HB HIS 8 2HB HIS 8 14.630 9.015 -3.482 67 2HB HIS 8 1HB HIS 8 14.432 10.518 -4.376 68 HD1 HIS 8 1HD HIS 8 15.053 12.500 -3.052 69 HD2 HIS 8 2HD HIS 8 13.601 9.440 -0.644 70 HE1 HIS 8 1HE HIS 8 15.198 13.372 -0.698 71 HE2 HIS 8 2HE HIS 8 14.388 11.474 0.748 72 H LYS 9 H LYS 9 13.164 7.126 -3.503 73 HA LYS 9 HA LYS 9 11.104 6.593 -1.532 74 1HB LYS 9 2HB LYS 9 13.193 4.641 -2.476 75 2HB LYS 9 1HB LYS 9 11.594 4.300 -1.831 76 1HG LYS 9 2HG LYS 9 10.612 5.337 -3.859 77 2HG LYS 9 1HG LYS 9 12.242 5.506 -4.510 78 1HD LYS 9 2HD LYS 9 12.510 3.028 -4.238 79 2HD LYS 9 1HD LYS 9 10.795 2.951 -3.826 80 1HE LYS 9 2HE LYS 9 10.971 2.437 -6.136 81 2HE LYS 9 1HE LYS 9 10.323 4.073 -6.024 82 1HZ LYS 9 1HZ LYS 9 11.930 4.472 -7.529 83 2HZ LYS 9 2HZ LYS 9 12.884 3.159 -7.051 84 3HZ LYS 9 3HZ LYS 9 12.918 4.596 -6.160 85 H GLU 10 H GLU 10 11.589 5.510 0.498 86 HA GLU 10 HA GLU 10 14.257 6.128 1.563 87 1HB GLU 10 2HB GLU 10 12.199 7.708 2.159 88 2HB GLU 10 1HB GLU 10 11.886 6.449 3.345 89 1HG GLU 10 2HG GLU 10 13.172 8.122 4.414 90 2HG GLU 10 1HG GLU 10 14.237 6.741 4.147 91 H ALA 11 H ALA 11 12.973 5.200 4.254 92 HA ALA 11 HA ALA 11 12.721 3.272 5.433 93 1HB ALA 11 1HB ALA 11 12.407 1.502 3.103 94 2HB ALA 11 2HB ALA 11 11.238 2.811 3.232 95 3HB ALA 11 3HB ALA 11 11.418 1.660 4.553 96 H ALA 12 H ALA 12 13.563 0.578 4.232 97 HA ALA 12 HA ALA 12 16.219 0.658 3.404 98 1HB ALA 12 1HB ALA 12 17.040 -0.173 5.836 99 2HB ALA 12 2HB ALA 12 15.842 1.035 6.300 100 3HB ALA 12 3HB ALA 12 17.193 1.486 5.258 101 H THR 13 H THR 13 14.653 -1.168 6.059 102 HA THR 13 HA THR 13 14.496 -3.506 4.312 103 HB THR 13 HB THR 13 16.028 -3.476 6.918 104 HG1 THR 13 1HG THR 13 17.769 -3.806 5.689 105 1HG2 THR 13 1HG2 THR 13 15.277 -5.803 5.170 106 2HG2 THR 13 2HG2 THR 13 14.853 -5.549 6.863 107 3HG2 THR 13 3HG2 THR 13 16.531 -5.852 6.410 108 H LEU 14 H LEU 14 12.953 -5.015 4.918 109 HA LEU 14 HA LEU 14 11.071 -4.071 6.954 110 1HB LEU 14 2HB LEU 14 10.056 -4.415 4.821 111 2HB LEU 14 1HB LEU 14 10.792 -5.996 4.653 112 HG LEU 14 HG LEU 14 8.278 -5.838 5.235 113 1HD1 LEU 14 1HD1 LEU 14 8.356 -7.960 6.084 114 2HD1 LEU 14 2HD1 LEU 14 9.733 -7.611 7.128 115 3HD1 LEU 14 3HD1 LEU 14 9.974 -7.826 5.394 116 1HD2 LEU 14 1HD2 LEU 14 9.080 -4.276 7.259 117 2HD2 LEU 14 2HD2 LEU 14 9.072 -5.841 8.069 118 3HD2 LEU 14 3HD2 LEU 14 7.605 -5.241 7.298 119 H ILE 15 H ILE 15 10.917 -5.044 8.861 120 HA ILE 15 HA ILE 15 12.470 -7.406 9.416 121 HB ILE 15 HB ILE 15 10.595 -5.862 11.214 122 1HG1 ILE 15 2HG1 ILE 15 13.093 -5.366 12.143 123 2HG1 ILE 15 1HG1 ILE 15 13.423 -5.514 10.419 124 1HG2 ILE 15 1HG2 ILE 15 12.093 -7.017 12.986 125 2HG2 ILE 15 2HG2 ILE 15 12.433 -8.170 11.696 126 3HG2 ILE 15 3HG2 ILE 15 10.776 -7.927 12.246 127 1HD1 ILE 15 1HD1 ILE 15 12.967 -3.196 11.250 128 2HD1 ILE 15 2HD1 ILE 15 11.302 -3.705 11.533 129 3HD1 ILE 15 3HD1 ILE 15 11.967 -3.728 9.899 130 H LYS 16 H LYS 16 9.012 -6.587 9.824 131 HA LYS 16 HA LYS 16 8.155 -9.073 8.716 132 1HB LYS 16 2HB LYS 16 8.989 -9.438 11.229 133 2HB LYS 16 1HB LYS 16 7.355 -8.891 11.573 134 1HG LYS 16 2HG LYS 16 7.103 -11.178 11.475 135 2HG LYS 16 1HG LYS 16 6.650 -10.682 9.843 136 1HD LYS 16 2HD LYS 16 9.512 -11.229 10.215 137 2HD LYS 16 1HD LYS 16 8.459 -12.629 10.426 138 1HE LYS 16 2HE LYS 16 7.915 -12.707 8.243 139 2HE LYS 16 1HE LYS 16 7.840 -10.952 8.096 140 1HZ LYS 16 1HZ LYS 16 10.331 -10.994 8.157 141 2HZ LYS 16 2HZ LYS 16 9.636 -11.676 6.773 142 3HZ LYS 16 3HZ LYS 16 10.248 -12.677 7.993 143 H ALA 17 H ALA 17 6.038 -9.008 8.124 144 HA ALA 17 HA ALA 17 4.676 -6.485 8.411 145 1HB ALA 17 1HB ALA 17 4.643 -7.684 6.279 146 2HB ALA 17 2HB ALA 17 3.012 -7.426 6.903 147 3HB ALA 17 3HB ALA 17 3.771 -9.014 7.041 148 H ILE 18 H ILE 18 2.544 -6.218 9.256 149 HA ILE 18 HA ILE 18 1.927 -8.129 11.408 150 HB ILE 18 HB ILE 18 0.987 -5.270 11.246 151 1HG1 ILE 18 2HG1 ILE 18 3.297 -6.303 12.895 152 2HG1 ILE 18 1HG1 ILE 18 3.510 -5.522 11.332 153 1HG2 ILE 18 1HG2 ILE 18 1.295 -6.710 13.807 154 2HG2 ILE 18 2HG2 ILE 18 -0.007 -7.251 12.748 155 3HG2 ILE 18 3HG2 ILE 18 0.053 -5.572 13.284 156 1HD1 ILE 18 1HD1 ILE 18 1.903 -4.067 13.335 157 2HD1 ILE 18 2HD1 ILE 18 3.061 -3.467 12.149 158 3HD1 ILE 18 3HD1 ILE 18 3.634 -4.211 13.642 159 H ASP 19 H ASP 19 0.295 -5.913 9.127 160 HA ASP 19 HA ASP 19 -1.756 -7.935 8.693 161 1HB ASP 19 2HB ASP 19 -2.274 -6.060 10.573 162 2HB ASP 19 1HB ASP 19 -2.850 -5.222 9.135 163 H GLY 20 H GLY 20 0.005 -7.470 6.812 164 1HA GLY 20 2HA GLY 20 0.150 -6.973 4.573 165 2HA GLY 20 1HA GLY 20 -1.531 -6.472 4.647 166 H ASP 21 H ASP 21 -1.824 -4.287 5.841 167 HA ASP 21 HA ASP 21 -0.153 -2.380 4.456 168 1HB ASP 21 2HB ASP 21 -1.737 -0.705 5.440 169 2HB ASP 21 1HB ASP 21 -2.521 -1.947 4.468 170 H THR 22 H THR 22 -0.610 -3.576 7.695 171 HA THR 22 HA THR 22 1.212 -1.551 8.764 172 HB THR 22 HB THR 22 -0.228 -3.685 10.336 173 HG1 THR 22 1HG THR 22 -1.980 -2.672 9.817 174 1HG2 THR 22 1HG2 THR 22 0.085 -2.356 12.220 175 2HG2 THR 22 2HG2 THR 22 0.513 -0.938 11.262 176 3HG2 THR 22 3HG2 THR 22 1.635 -2.294 11.379 177 H VAL 23 H VAL 23 3.290 -2.078 8.483 178 HA VAL 23 HA VAL 23 4.140 -4.767 9.308 179 HB VAL 23 HB VAL 23 5.711 -4.910 7.452 180 1HG1 VAL 23 1HG1 VAL 23 3.120 -5.489 7.331 181 2HG1 VAL 23 2HG1 VAL 23 4.202 -5.725 5.959 182 3HG1 VAL 23 3HG1 VAL 23 3.181 -4.290 6.040 183 1HG2 VAL 23 1HG2 VAL 23 6.032 -2.470 7.154 184 2HG2 VAL 23 2HG2 VAL 23 4.442 -2.386 6.394 185 3HG2 VAL 23 3HG2 VAL 23 5.733 -3.321 5.640 186 H LYS 24 H LYS 24 6.174 -4.909 10.240 187 HA LYS 24 HA LYS 24 7.206 -2.418 11.303 188 1HB LYS 24 2HB LYS 24 7.249 -5.208 12.069 189 2HB LYS 24 1HB LYS 24 8.870 -4.529 12.121 190 1HG LYS 24 2HG LYS 24 7.659 -2.584 13.410 191 2HG LYS 24 1HG LYS 24 6.474 -3.850 13.739 192 1HD LYS 24 2HD LYS 24 7.796 -4.784 15.270 193 2HD LYS 24 1HD LYS 24 9.157 -4.827 14.148 194 1HE LYS 24 2HE LYS 24 9.861 -2.662 14.764 195 2HE LYS 24 1HE LYS 24 8.340 -2.318 15.587 196 1HZ LYS 24 1HZ LYS 24 9.891 -2.767 17.267 197 2HZ LYS 24 2HZ LYS 24 10.524 -4.115 16.462 198 3HZ LYS 24 3HZ LYS 24 8.976 -4.186 17.142 199 H LEU 25 H LEU 25 8.471 -1.289 9.975 200 HA LEU 25 HA LEU 25 10.465 -2.719 8.352 201 1HB LEU 25 2HB LEU 25 8.615 -0.806 7.629 202 2HB LEU 25 1HB LEU 25 10.091 0.125 7.798 203 HG LEU 25 HG LEU 25 10.419 -2.352 6.257 204 1HD1 LEU 25 1HD1 LEU 25 8.233 -0.524 5.642 205 2HD1 LEU 25 2HD1 LEU 25 8.571 -2.140 5.023 206 3HD1 LEU 25 3HD1 LEU 25 9.367 -0.738 4.309 207 1HD2 LEU 25 1HD2 LEU 25 11.280 -0.326 4.704 208 2HD2 LEU 25 2HD2 LEU 25 12.249 -1.064 5.978 209 3HD2 LEU 25 3HD2 LEU 25 11.375 0.434 6.292 210 H MET 26 H MET 26 12.591 -2.306 8.541 211 HA MET 26 HA MET 26 13.464 -0.816 10.863 212 1HB MET 26 2HB MET 26 14.359 -3.112 9.826 213 2HB MET 26 1HB MET 26 15.419 -2.007 8.962 214 1HG MET 26 2HG MET 26 16.361 -1.189 10.963 215 2HG MET 26 1HG MET 26 15.113 -1.954 11.946 216 1HE MET 26 1HE MET 26 15.905 -3.145 13.430 217 2HE MET 26 2HE MET 26 17.398 -4.082 13.465 218 3HE MET 26 3HE MET 26 15.882 -4.855 13.001 219 H TYR 27 H TYR 27 13.462 1.322 10.587 220 HA TYR 27 HA TYR 27 14.522 2.454 8.100 221 1HB TYR 27 2HB TYR 27 12.326 3.268 8.783 222 2HB TYR 27 1HB TYR 27 12.961 3.728 10.357 223 HD1 TYR 27 2HD TYR 27 14.476 5.663 10.565 224 HD2 TYR 27 1HD TYR 27 12.665 4.644 6.854 225 HE1 TYR 27 2HE TYR 27 15.015 7.899 9.697 226 HE2 TYR 27 1HE TYR 27 13.197 6.878 5.975 227 HH TYR 27 HH TYR 27 13.650 9.168 6.911 228 H LYS 28 H LYS 28 16.449 3.410 8.030 229 HA LYS 28 HA LYS 28 18.572 3.928 8.685 230 1HB LYS 28 2HB LYS 28 18.706 5.946 9.840 231 2HB LYS 28 1HB LYS 28 17.094 5.980 9.144 232 1HG LYS 28 2HG LYS 28 16.275 6.385 11.158 233 2HG LYS 28 1HG LYS 28 16.832 4.798 11.683 234 1HD LYS 28 2HD LYS 28 19.140 6.169 11.840 235 2HD LYS 28 1HD LYS 28 17.990 7.471 12.162 236 1HE LYS 28 2HE LYS 28 17.122 6.385 14.052 237 2HE LYS 28 1HE LYS 28 17.836 4.838 13.596 238 1HZ LYS 28 1HZ LYS 28 19.824 5.400 14.463 239 2HZ LYS 28 2HZ LYS 28 18.896 6.444 15.415 240 3HZ LYS 28 3HZ LYS 28 19.692 7.034 14.043 241 H GLY 29 H GLY 29 17.463 1.549 10.006 242 1HA GLY 29 2HA GLY 29 18.649 0.063 11.399 243 2HA GLY 29 1HA GLY 29 19.419 1.437 12.173 244 H GLN 30 H GLN 30 15.995 1.613 11.789 245 HA GLN 30 HA GLN 30 15.601 0.662 14.539 246 1HB GLN 30 2HB GLN 30 14.549 2.585 15.266 247 2HB GLN 30 1HB GLN 30 15.806 3.247 14.233 248 1HG GLN 30 2HG GLN 30 13.965 3.175 12.397 249 2HG GLN 30 1HG GLN 30 12.863 3.089 13.771 250 1HE2 GLN 30 1HE2 GLN 30 12.857 4.818 15.282 251 2HE2 GLN 30 2HE2 GLN 30 13.372 6.398 14.812 252 H ALA 31 H ALA 31 14.048 -0.803 14.643 253 HA ALA 31 HA ALA 31 12.345 -1.335 12.403 254 1HB ALA 31 1HB ALA 31 12.287 -2.531 15.172 255 2HB ALA 31 2HB ALA 31 13.246 -3.130 13.819 256 3HB ALA 31 3HB ALA 31 11.484 -3.172 13.738 257 H MET 32 H MET 32 10.935 0.336 12.058 258 HA MET 32 HA MET 32 9.130 1.052 14.269 259 1HB MET 32 2HB MET 32 8.622 3.085 12.989 260 2HB MET 32 1HB MET 32 10.342 2.948 13.327 261 1HG MET 32 2HG MET 32 10.663 2.049 11.038 262 2HG MET 32 1HG MET 32 8.957 2.360 10.722 263 1HE MET 32 1HE MET 32 8.105 4.745 11.862 264 2HE MET 32 2HE MET 32 8.028 4.975 10.115 265 3HE MET 32 3HE MET 32 8.745 6.221 11.138 266 H THR 33 H THR 33 6.876 1.232 13.857 267 HA THR 33 HA THR 33 5.907 -0.795 12.050 268 HB THR 33 HB THR 33 4.135 1.059 13.610 269 HG1 THR 33 1HG THR 33 5.323 0.489 15.272 270 1HG2 THR 33 1HG2 THR 33 3.057 -1.275 14.043 271 2HG2 THR 33 2HG2 THR 33 3.951 -1.729 12.592 272 3HG2 THR 33 3HG2 THR 33 2.770 -0.420 12.529 273 H PHE 34 H PHE 34 5.590 -0.379 9.974 274 HA PHE 34 HA PHE 34 4.949 2.343 9.121 275 1HB PHE 34 2HB PHE 34 6.125 -0.057 7.811 276 2HB PHE 34 1HB PHE 34 5.205 1.049 6.795 277 HD1 PHE 34 2HD PHE 34 8.142 0.733 8.989 278 HD2 PHE 34 1HD PHE 34 6.063 3.178 6.196 279 HE1 PHE 34 2HE PHE 34 10.109 2.200 8.816 280 HE2 PHE 34 1HE PHE 34 8.026 4.651 6.016 281 HZ PHE 34 HZ PHE 34 10.052 4.163 7.328 282 H ARG 35 H ARG 35 3.253 2.714 7.553 283 HA ARG 35 HA ARG 35 1.152 0.674 7.482 284 1HB ARG 35 2HB ARG 35 0.989 3.365 8.730 285 2HB ARG 35 1HB ARG 35 -0.405 2.827 7.802 286 1HG ARG 35 2HG ARG 35 0.527 0.747 9.570 287 2HG ARG 35 1HG ARG 35 0.184 2.235 10.454 288 1HD ARG 35 2HD ARG 35 -2.032 2.310 9.289 289 2HD ARG 35 1HD ARG 35 -1.678 0.708 8.642 290 HE ARG 35 HE ARG 35 -1.356 0.386 11.309 291 1HH1 ARG 35 1HH1 ARG 35 -3.939 1.685 9.354 292 2HH1 ARG 35 2HH1 ARG 35 -5.183 1.213 10.462 293 1HH2 ARG 35 1HH2 ARG 35 -2.990 -0.236 12.767 294 2HH2 ARG 35 2HH2 ARG 35 -4.644 0.122 12.401 295 H LEU 36 H LEU 36 0.523 0.368 5.459 296 HA LEU 36 HA LEU 36 1.384 1.903 3.287 297 1HB LEU 36 2HB LEU 36 -0.071 -0.479 3.708 298 2HB LEU 36 1HB LEU 36 -1.051 0.523 2.658 299 HG LEU 36 HG LEU 36 1.792 -0.350 2.144 300 1HD1 LEU 36 1HD1 LEU 36 -0.814 -1.106 0.831 301 2HD1 LEU 36 2HD1 LEU 36 0.198 -2.145 1.834 302 3HD1 LEU 36 3HD1 LEU 36 0.788 -1.585 0.270 303 1HD2 LEU 36 1HD2 LEU 36 1.801 0.891 0.188 304 2HD2 LEU 36 2HD2 LEU 36 1.022 1.983 1.333 305 3HD2 LEU 36 3HD2 LEU 36 0.049 1.076 0.176 306 H LEU 37 H LEU 37 0.859 3.947 2.915 307 HA LEU 37 HA LEU 37 -1.515 5.165 3.897 308 1HB LEU 37 2HB LEU 37 0.938 5.988 2.649 309 2HB LEU 37 1HB LEU 37 -0.414 6.794 1.878 310 HG LEU 37 HG LEU 37 0.239 6.854 4.825 311 1HD1 LEU 37 1HD1 LEU 37 1.482 8.235 2.869 312 2HD1 LEU 37 2HD1 LEU 37 1.249 8.838 4.509 313 3HD1 LEU 37 3HD1 LEU 37 0.139 9.321 3.226 314 1HD2 LEU 37 1HD2 LEU 37 -1.747 8.703 3.680 315 2HD2 LEU 37 2HD2 LEU 37 -1.721 7.886 5.243 316 3HD2 LEU 37 3HD2 LEU 37 -2.251 7.018 3.803 317 H LEU 38 H LEU 38 -3.397 5.668 2.907 318 HA LEU 38 HA LEU 38 -5.121 5.545 1.436 319 1HB LEU 38 2HB LEU 38 -2.763 6.173 -0.248 320 2HB LEU 38 1HB LEU 38 -4.215 5.657 -1.083 321 HG LEU 38 HG LEU 38 -3.942 8.044 0.742 322 1HD1 LEU 38 1HD1 LEU 38 -4.223 9.368 -1.181 323 2HD1 LEU 38 2HD1 LEU 38 -4.705 7.985 -2.162 324 3HD1 LEU 38 3HD1 LEU 38 -3.032 8.145 -1.623 325 1HD2 LEU 38 1HD2 LEU 38 -6.102 7.429 1.194 326 2HD2 LEU 38 2HD2 LEU 38 -6.326 6.652 -0.373 327 3HD2 LEU 38 3HD2 LEU 38 -6.343 8.412 -0.251 328 H VAL 39 H VAL 39 -3.682 3.050 2.245 329 HA VAL 39 HA VAL 39 -4.915 1.316 0.234 330 HB VAL 39 HB VAL 39 -2.170 0.713 1.320 331 1HG1 VAL 39 1HG1 VAL 39 -2.810 -1.319 0.626 332 2HG1 VAL 39 2HG1 VAL 39 -2.452 -0.689 -0.982 333 3HG1 VAL 39 3HG1 VAL 39 -4.110 -0.678 -0.380 334 1HG2 VAL 39 1HG2 VAL 39 -1.751 1.162 -1.314 335 2HG2 VAL 39 2HG2 VAL 39 -1.461 2.351 -0.045 336 3HG2 VAL 39 3HG2 VAL 39 -2.970 2.385 -0.959 337 H ASP 40 H ASP 40 -5.666 -0.650 1.040 338 HA ASP 40 HA ASP 40 -5.352 -1.082 3.930 339 1HB ASP 40 2HB ASP 40 -7.699 -0.180 2.717 340 2HB ASP 40 1HB ASP 40 -7.970 -1.902 2.973 341 H THR 41 H THR 41 -4.258 -2.930 4.069 342 HA THR 41 HA THR 41 -5.025 -5.147 2.289 343 HB THR 41 HB THR 41 -2.411 -4.943 3.770 344 HG1 THR 41 1HG THR 41 -2.220 -3.218 2.514 345 1HG2 THR 41 1HG2 THR 41 -2.386 -7.048 2.948 346 2HG2 THR 41 2HG2 THR 41 -1.800 -6.196 1.520 347 3HG2 THR 41 3HG2 THR 41 -3.495 -6.669 1.632 348 H ALA 42 H ALA 42 -6.765 -5.157 4.115 349 HA ALA 42 HA ALA 42 -6.377 -7.486 5.635 350 1HB ALA 42 1HB ALA 42 -6.265 -4.931 7.232 351 2HB ALA 42 2HB ALA 42 -4.957 -6.097 7.032 352 3HB ALA 42 3HB ALA 42 -6.420 -6.553 7.906 353 H GLU 43 H GLU 43 -8.088 -4.373 5.636 354 HA GLU 43 HA GLU 43 -10.292 -3.836 5.827 355 1HB GLU 43 2HB GLU 43 -10.189 -5.298 3.709 356 2HB GLU 43 1HB GLU 43 -10.916 -6.554 4.702 357 1HG GLU 43 2HG GLU 43 -12.866 -5.708 4.058 358 2HG GLU 43 1HG GLU 43 -12.534 -4.402 5.194 359 H THR 44 H THR 44 -9.033 -5.217 8.072 360 HA THR 44 HA THR 44 -11.079 -6.937 9.179 361 HB THR 44 HB THR 44 -9.464 -6.602 11.260 362 HG1 THR 44 1HG THR 44 -8.202 -4.991 10.307 363 1HG2 THR 44 1HG2 THR 44 -9.780 -8.617 9.577 364 2HG2 THR 44 2HG2 THR 44 -8.477 -8.575 10.764 365 3HG2 THR 44 3HG2 THR 44 -8.158 -8.127 9.089 366 H LYS 45 H LYS 45 -12.830 -5.427 9.173 367 HA LYS 45 HA LYS 45 -12.845 -3.770 11.578 368 1HB LYS 45 2HB LYS 45 -14.119 -2.002 10.212 369 2HB LYS 45 1HB LYS 45 -12.370 -2.076 10.034 370 1HG LYS 45 2HG LYS 45 -13.468 -3.809 8.098 371 2HG LYS 45 1HG LYS 45 -14.393 -2.308 8.039 372 1HD LYS 45 2HD LYS 45 -11.487 -1.950 8.252 373 2HD LYS 45 1HD LYS 45 -12.025 -2.728 6.762 374 1HE LYS 45 2HE LYS 45 -13.575 -0.368 7.604 375 2HE LYS 45 1HE LYS 45 -11.910 -0.051 7.120 376 1HZ LYS 45 1HZ LYS 45 -12.614 -1.585 5.122 377 2HZ LYS 45 2HZ LYS 45 -12.934 0.077 5.113 378 3HZ LYS 45 3HZ LYS 45 -14.158 -1.018 5.521 379 H HIS 46 H HIS 46 -14.058 -6.338 10.584 380 HA HIS 46 HA HIS 46 -16.880 -5.620 11.039 381 1HB HIS 46 2HB HIS 46 -15.988 -6.725 8.757 382 2HB HIS 46 1HB HIS 46 -16.253 -8.191 9.694 383 HD1 HIS 46 1HD HIS 46 -18.833 -7.459 11.161 384 HD2 HIS 46 2HD HIS 46 -18.166 -6.683 7.134 385 HE1 HIS 46 1HE HIS 46 -21.117 -7.261 10.129 386 HE2 HIS 46 2HE HIS 46 -20.688 -6.709 7.707 387 H THR 47 H THR 47 -14.244 -7.806 11.777 388 HA THR 47 HA THR 47 -13.880 -9.202 13.533 389 HB THR 47 HB THR 47 -16.426 -8.467 14.892 390 HG1 THR 47 1HG THR 47 -15.994 -6.449 14.376 391 1HG2 THR 47 1HG2 THR 47 -15.346 -9.048 16.733 392 2HG2 THR 47 2HG2 THR 47 -13.973 -8.013 16.337 393 3HG2 THR 47 3HG2 THR 47 -14.057 -9.653 15.694 394 H LYS 48 H LYS 48 -14.486 -10.720 11.714 395 HA LYS 48 HA LYS 48 -16.829 -12.322 12.512 396 1HB LYS 48 2HB LYS 48 -15.661 -12.155 9.730 397 2HB LYS 48 1HB LYS 48 -17.136 -12.982 10.213 398 1HG LYS 48 2HG LYS 48 -18.267 -10.944 10.601 399 2HG LYS 48 1HG LYS 48 -16.770 -10.014 10.500 400 1HD LYS 48 2HD LYS 48 -16.837 -9.932 8.257 401 2HD LYS 48 1HD LYS 48 -17.337 -11.618 8.118 402 1HE LYS 48 2HE LYS 48 -19.632 -10.974 8.694 403 2HE LYS 48 1HE LYS 48 -19.125 -9.289 8.814 404 1HZ LYS 48 1HZ LYS 48 -20.187 -9.915 6.667 405 2HZ LYS 48 2HZ LYS 48 -18.854 -10.905 6.342 406 3HZ LYS 48 3HZ LYS 48 -18.646 -9.235 6.505 407 H LYS 49 H LYS 49 -13.564 -12.400 11.149 408 HA LYS 49 HA LYS 49 -12.703 -14.571 12.675 409 1HB LYS 49 2HB LYS 49 -12.511 -16.239 10.722 410 2HB LYS 49 1HB LYS 49 -14.067 -16.081 11.523 411 1HG LYS 49 2HG LYS 49 -14.930 -15.827 9.493 412 2HG LYS 49 1HG LYS 49 -14.210 -14.217 9.499 413 1HD LYS 49 2HD LYS 49 -13.185 -14.918 7.625 414 2HD LYS 49 1HD LYS 49 -12.091 -15.738 8.742 415 1HE LYS 49 2HE LYS 49 -14.511 -17.264 8.166 416 2HE LYS 49 1HE LYS 49 -13.543 -16.932 6.732 417 1HZ LYS 49 1HZ LYS 49 -12.860 -18.994 7.741 418 2HZ LYS 49 2HZ LYS 49 -12.589 -18.232 9.225 419 3HZ LYS 49 3HZ LYS 49 -11.614 -17.859 7.894 420 H GLY 50 H GLY 50 -12.430 -12.863 9.603 421 1HA GLY 50 2HA GLY 50 -10.325 -11.555 9.387 422 2HA GLY 50 1HA GLY 50 -9.489 -13.020 9.883 423 H VAL 51 H VAL 51 -12.215 -13.081 7.690 424 HA VAL 51 HA VAL 51 -10.508 -13.221 5.347 425 HB VAL 51 HB VAL 51 -12.278 -15.573 6.002 426 1HG1 VAL 51 1HG1 VAL 51 -10.531 -14.800 3.734 427 2HG1 VAL 51 2HG1 VAL 51 -12.062 -15.676 3.740 428 3HG1 VAL 51 3HG1 VAL 51 -10.571 -16.503 4.192 429 1HG2 VAL 51 1HG2 VAL 51 -10.198 -16.823 6.436 430 2HG2 VAL 51 2HG2 VAL 51 -10.463 -15.531 7.607 431 3HG2 VAL 51 3HG2 VAL 51 -9.287 -15.317 6.308 432 H GLU 52 H GLU 52 -12.653 -11.501 6.299 433 HA GLU 52 HA GLU 52 -14.895 -12.136 4.543 434 1HB GLU 52 2HB GLU 52 -15.911 -10.084 5.578 435 2HB GLU 52 1HB GLU 52 -15.538 -11.377 6.711 436 1HG GLU 52 2HG GLU 52 -13.301 -9.600 6.467 437 2HG GLU 52 1HG GLU 52 -14.764 -8.695 6.853 438 H LYS 53 H LYS 53 -12.039 -11.031 3.837 439 HA LYS 53 HA LYS 53 -12.794 -9.660 1.516 440 1HB LYS 53 2HB LYS 53 -12.984 -7.999 3.700 441 2HB LYS 53 1HB LYS 53 -11.369 -7.647 3.100 442 1HG LYS 53 2HG LYS 53 -12.910 -6.116 2.106 443 2HG LYS 53 1HG LYS 53 -12.349 -7.234 0.861 444 1HD LYS 53 2HD LYS 53 -14.456 -8.596 1.438 445 2HD LYS 53 1HD LYS 53 -15.014 -7.122 2.233 446 1HE LYS 53 2HE LYS 53 -13.953 -6.736 -0.477 447 2HE LYS 53 1HE LYS 53 -15.413 -7.720 -0.390 448 1HZ LYS 53 1HZ LYS 53 -15.541 -5.128 -0.571 449 2HZ LYS 53 2HZ LYS 53 -15.339 -5.202 1.106 450 3HZ LYS 53 3HZ LYS 53 -16.650 -5.985 0.378 451 H TYR 54 H TYR 54 -11.023 -11.742 2.324 452 HA TYR 54 HA TYR 54 -8.936 -12.538 1.894 453 1HB TYR 54 2HB TYR 54 -9.099 -10.158 0.082 454 2HB TYR 54 1HB TYR 54 -7.579 -11.034 0.228 455 HD1 TYR 54 2HD TYR 54 -7.506 -13.463 -0.389 456 HD2 TYR 54 1HD TYR 54 -10.890 -11.018 -1.206 457 HE1 TYR 54 2HE TYR 54 -8.296 -15.115 -2.029 458 HE2 TYR 54 1HE TYR 54 -11.691 -12.663 -2.848 459 HH TYR 54 HH TYR 54 -9.740 -15.257 -3.952 460 H GLY 55 H GLY 55 -9.436 -10.474 4.076 461 1HA GLY 55 2HA GLY 55 -7.241 -8.801 4.424 462 2HA GLY 55 1HA GLY 55 -8.189 -9.492 5.733 463 H ALA 56 H ALA 56 -7.629 -12.183 5.440 464 HA ALA 56 HA ALA 56 -5.199 -12.430 6.804 465 1HB ALA 56 1HB ALA 56 -6.887 -14.471 5.375 466 2HB ALA 56 2HB ALA 56 -6.844 -14.113 7.101 467 3HB ALA 56 3HB ALA 56 -5.462 -14.889 6.326 468 H GLU 57 H GLU 57 -5.952 -13.552 3.499 469 HA GLU 57 HA GLU 57 -3.321 -14.192 2.794 470 1HB GLU 57 2HB GLU 57 -5.282 -14.982 1.550 471 2HB GLU 57 1HB GLU 57 -5.608 -13.341 1.010 472 1HG GLU 57 2HG GLU 57 -4.559 -14.344 -0.803 473 2HG GLU 57 1HG GLU 57 -3.281 -13.407 -0.029 474 H ALA 58 H ALA 58 -4.935 -11.148 2.988 475 HA ALA 58 HA ALA 58 -3.428 -9.635 1.175 476 1HB ALA 58 1HB ALA 58 -4.874 -8.090 1.852 477 2HB ALA 58 2HB ALA 58 -4.064 -8.011 3.417 478 3HB ALA 58 3HB ALA 58 -5.394 -9.142 3.168 479 H SER 59 H SER 59 -2.898 -10.390 4.589 480 HA SER 59 HA SER 59 -0.536 -8.828 4.840 481 1HB SER 59 2HB SER 59 -0.199 -10.311 6.915 482 2HB SER 59 1HB SER 59 -1.648 -9.307 6.868 483 HG SER 59 HG SER 59 -2.210 -11.391 7.485 484 H ALA 60 H ALA 60 -1.189 -12.191 4.030 485 HA ALA 60 HA ALA 60 1.468 -13.125 4.160 486 1HB ALA 60 1HB ALA 60 -0.374 -14.674 4.139 487 2HB ALA 60 2HB ALA 60 0.653 -14.984 2.740 488 3HB ALA 60 3HB ALA 60 -0.872 -14.121 2.541 489 H PHE 61 H PHE 61 -0.459 -11.898 1.436 490 HA PHE 61 HA PHE 61 1.446 -12.251 -0.575 491 1HB PHE 61 2HB PHE 61 -0.821 -11.721 -1.168 492 2HB PHE 61 1HB PHE 61 -0.762 -10.207 -0.276 493 HD1 PHE 61 1HD PHE 61 0.856 -8.412 -1.110 494 HD2 PHE 61 2HD PHE 61 -0.306 -11.783 -3.432 495 HE1 PHE 61 1HE PHE 61 1.535 -7.229 -3.157 496 HE2 PHE 61 2HE PHE 61 0.373 -10.606 -5.485 497 HZ PHE 61 HZ PHE 61 1.294 -8.325 -5.348 498 H THR 62 H THR 62 0.842 -9.450 1.521 499 HA THR 62 HA THR 62 2.984 -7.911 0.416 500 HB THR 62 HB THR 62 1.491 -7.552 3.023 501 HG1 THR 62 1HG THR 62 -0.059 -7.169 1.647 502 1HG2 THR 62 1HG2 THR 62 3.725 -6.157 2.049 503 2HG2 THR 62 2HG2 THR 62 2.691 -5.745 3.417 504 3HG2 THR 62 3HG2 THR 62 2.324 -5.112 1.812 505 H LYS 63 H LYS 63 2.575 -9.981 3.226 506 HA LYS 63 HA LYS 63 5.013 -9.350 4.498 507 1HB LYS 63 2HB LYS 63 3.235 -10.401 5.726 508 2HB LYS 63 1HB LYS 63 3.242 -11.788 4.647 509 1HG LYS 63 2HG LYS 63 5.841 -11.633 5.645 510 2HG LYS 63 1HG LYS 63 4.790 -11.298 7.022 511 1HD LYS 63 2HD LYS 63 3.523 -13.399 5.783 512 2HD LYS 63 1HD LYS 63 5.232 -13.784 5.557 513 1HE LYS 63 2HE LYS 63 5.555 -13.409 8.008 514 2HE LYS 63 1HE LYS 63 3.806 -13.248 8.159 515 1HZ LYS 63 1HZ LYS 63 3.837 -15.544 6.955 516 2HZ LYS 63 2HZ LYS 63 4.096 -15.454 8.624 517 3HZ LYS 63 3HZ LYS 63 5.409 -15.635 7.574 518 H LYS 64 H LYS 64 4.151 -11.857 2.143 519 HA LYS 64 HA LYS 64 6.712 -13.129 2.228 520 1HB LYS 64 2HB LYS 64 4.603 -13.262 0.063 521 2HB LYS 64 1HB LYS 64 5.955 -14.362 0.256 522 1HG LYS 64 2HG LYS 64 3.344 -14.505 1.377 523 2HG LYS 64 1HG LYS 64 4.654 -15.678 1.456 524 1HD LYS 64 2HD LYS 64 5.578 -14.262 3.369 525 2HD LYS 64 1HD LYS 64 4.005 -13.462 3.379 526 1HE LYS 64 2HE LYS 64 4.312 -15.406 4.992 527 2HE LYS 64 1HE LYS 64 2.880 -15.441 3.964 528 1HZ LYS 64 1HZ LYS 64 3.804 -17.087 2.616 529 2HZ LYS 64 2HZ LYS 64 4.210 -17.573 4.184 530 3HZ LYS 64 3HZ LYS 64 5.373 -16.836 3.200 531 H MET 65 H MET 65 5.122 -10.915 -0.011 532 HA MET 65 HA MET 65 7.282 -10.723 -1.828 533 1HB MET 65 2HB MET 65 4.978 -10.134 -2.431 534 2HB MET 65 1HB MET 65 5.029 -8.775 -1.317 535 1HG MET 65 2HG MET 65 7.236 -8.669 -3.163 536 2HG MET 65 1HG MET 65 5.699 -8.781 -4.019 537 1HE MET 65 1HE MET 65 5.539 -6.870 -5.142 538 2HE MET 65 2HE MET 65 6.916 -5.847 -4.732 539 3HE MET 65 3HE MET 65 5.274 -5.239 -4.526 540 H VAL 66 H VAL 66 6.516 -9.039 1.139 541 HA VAL 66 HA VAL 66 8.446 -6.946 0.676 542 HB VAL 66 HB VAL 66 6.346 -6.681 2.066 543 1HG1 VAL 66 1HG1 VAL 66 6.459 -7.308 4.420 544 2HG1 VAL 66 2HG1 VAL 66 8.009 -8.101 4.140 545 3HG1 VAL 66 3HG1 VAL 66 6.549 -8.733 3.383 546 1HG2 VAL 66 1HG2 VAL 66 7.365 -5.090 3.548 547 2HG2 VAL 66 2HG2 VAL 66 8.227 -5.075 2.010 548 3HG2 VAL 66 3HG2 VAL 66 8.924 -5.900 3.404 549 H GLU 67 H GLU 67 8.315 -9.948 2.523 550 HA GLU 67 HA GLU 67 10.898 -9.504 3.725 551 1HB GLU 67 2HB GLU 67 10.611 -11.679 4.732 552 2HB GLU 67 1HB GLU 67 9.108 -10.778 4.875 553 1HG GLU 67 2HG GLU 67 8.164 -12.653 4.131 554 2HG GLU 67 1HG GLU 67 8.703 -12.101 2.547 555 H ASN 68 H ASN 68 9.598 -11.195 0.961 556 HA ASN 68 HA ASN 68 12.051 -12.616 0.415 557 1HB ASN 68 2HB ASN 68 9.662 -13.380 -0.174 558 2HB ASN 68 1HB ASN 68 9.774 -12.254 -1.523 559 1HD2 ASN 68 1HD2 ASN 68 10.443 -13.094 -3.350 560 2HD2 ASN 68 2HD2 ASN 68 11.446 -14.489 -3.527 561 H ALA 69 H ALA 69 10.606 -9.585 -0.448 562 HA ALA 69 HA ALA 69 11.875 -9.016 -2.853 563 1HB ALA 69 1HB ALA 69 11.759 -6.570 -1.840 564 2HB ALA 69 2HB ALA 69 10.739 -7.383 -0.652 565 3HB ALA 69 3HB ALA 69 10.313 -7.435 -2.363 566 H LYS 70 H LYS 70 13.044 -8.648 0.457 567 HA LYS 70 HA LYS 70 15.208 -8.710 1.235 568 1HB LYS 70 2HB LYS 70 16.255 -8.161 -1.535 569 2HB LYS 70 1HB LYS 70 17.100 -8.876 -0.170 570 1HG LYS 70 2HG LYS 70 15.067 -10.642 -0.518 571 2HG LYS 70 1HG LYS 70 15.369 -10.119 -2.175 572 1HD LYS 70 2HD LYS 70 17.378 -11.138 -2.262 573 2HD LYS 70 1HD LYS 70 17.779 -10.708 -0.598 574 1HE LYS 70 2HE LYS 70 17.508 -12.911 -0.227 575 2HE LYS 70 1HE LYS 70 15.796 -12.496 -0.185 576 1HZ LYS 70 1HZ LYS 70 16.151 -14.369 -1.627 577 2HZ LYS 70 2HZ LYS 70 17.298 -13.519 -2.533 578 3HZ LYS 70 3HZ LYS 70 15.677 -13.040 -2.561 579 H LYS 71 H LYS 71 14.135 -6.268 -1.023 580 HA LYS 71 HA LYS 71 15.447 -4.236 0.650 581 1HB LYS 71 2HB LYS 71 16.661 -4.402 -1.464 582 2HB LYS 71 1HB LYS 71 15.163 -4.201 -2.362 583 1HG LYS 71 2HG LYS 71 15.728 -2.056 -0.449 584 2HG LYS 71 1HG LYS 71 16.898 -2.204 -1.760 585 1HD LYS 71 2HD LYS 71 14.467 -2.464 -3.040 586 2HD LYS 71 1HD LYS 71 14.149 -1.244 -1.806 587 1HE LYS 71 2HE LYS 71 15.933 0.130 -2.610 588 2HE LYS 71 1HE LYS 71 16.487 -1.137 -3.703 589 1HZ LYS 71 1HZ LYS 71 14.104 0.583 -3.923 590 2HZ LYS 71 2HZ LYS 71 14.145 -0.915 -4.708 591 3HZ LYS 71 3HZ LYS 71 15.300 0.265 -5.079 592 H ILE 72 H ILE 72 13.982 -2.973 1.596 593 HA ILE 72 HA ILE 72 11.430 -2.520 0.195 594 HB ILE 72 HB ILE 72 11.805 -2.689 3.184 595 1HG1 ILE 72 2HG1 ILE 72 10.331 -4.772 2.823 596 2HG1 ILE 72 1HG1 ILE 72 10.839 -4.679 1.140 597 1HG2 ILE 72 1HG2 ILE 72 9.366 -2.646 3.263 598 2HG2 ILE 72 2HG2 ILE 72 9.305 -2.482 1.508 599 3HG2 ILE 72 3HG2 ILE 72 10.000 -1.193 2.490 600 1HD1 ILE 72 1HD1 ILE 72 12.812 -5.586 1.596 601 2HD1 ILE 72 2HD1 ILE 72 12.131 -6.010 3.166 602 3HD1 ILE 72 3HD1 ILE 72 13.072 -4.529 2.983 603 H GLU 73 H GLU 73 11.013 -0.504 -0.297 604 HA GLU 73 HA GLU 73 12.285 1.645 1.262 605 1HB GLU 73 2HB GLU 73 11.450 1.897 -1.620 606 2HB GLU 73 1HB GLU 73 12.514 2.952 -0.700 607 1HG GLU 73 2HG GLU 73 13.796 0.530 -0.565 608 2HG GLU 73 1HG GLU 73 13.111 0.526 -2.189 609 H VAL 74 H VAL 74 11.055 3.648 1.431 610 HA VAL 74 HA VAL 74 8.192 3.390 0.889 611 HB VAL 74 HB VAL 74 7.553 4.103 3.112 612 1HG1 VAL 74 1HG1 VAL 74 7.666 2.041 4.063 613 2HG1 VAL 74 2HG1 VAL 74 9.394 1.870 3.755 614 3HG1 VAL 74 3HG1 VAL 74 8.236 1.620 2.448 615 1HG2 VAL 74 1HG2 VAL 74 9.725 3.769 4.760 616 2HG2 VAL 74 2HG2 VAL 74 9.049 5.316 4.251 617 3HG2 VAL 74 3HG2 VAL 74 10.413 4.620 3.376 618 H GLU 75 H GLU 75 7.072 5.332 0.691 619 HA GLU 75 HA GLU 75 8.728 7.767 0.702 620 1HB GLU 75 2HB GLU 75 8.387 7.020 -1.602 621 2HB GLU 75 1HB GLU 75 6.647 6.982 -1.348 622 1HG GLU 75 2HG GLU 75 6.830 9.462 -0.819 623 2HG GLU 75 1HG GLU 75 8.458 9.367 -1.487 624 H PHE 76 H PHE 76 7.980 9.181 2.118 625 HA PHE 76 HA PHE 76 5.262 8.987 3.104 626 1HB PHE 76 2HB PHE 76 7.715 10.496 3.927 627 2HB PHE 76 1HB PHE 76 6.140 11.014 4.518 628 HD1 PHE 76 2HD PHE 76 8.554 8.230 4.479 629 HD2 PHE 76 1HD PHE 76 5.007 9.816 6.213 630 HE1 PHE 76 2HE PHE 76 8.666 6.529 6.254 631 HE2 PHE 76 1HE PHE 76 5.113 8.120 7.992 632 HZ PHE 76 HZ PHE 76 6.944 6.473 8.013 633 H ASP 77 H ASP 77 3.713 10.618 3.007 634 HA ASP 77 HA ASP 77 4.106 12.520 0.804 635 1HB ASP 77 2HB ASP 77 2.112 10.732 1.109 636 2HB ASP 77 1HB ASP 77 1.400 12.108 1.947 637 H LYS 78 H LYS 78 2.431 14.477 1.170 638 HA LYS 78 HA LYS 78 3.506 15.903 3.430 639 1HB LYS 78 2HB LYS 78 1.793 16.614 1.083 640 2HB LYS 78 1HB LYS 78 1.856 17.704 2.460 641 1HG LYS 78 2HG LYS 78 3.498 18.548 1.082 642 2HG LYS 78 1HG LYS 78 4.424 17.519 2.178 643 1HD LYS 78 2HD LYS 78 5.287 16.688 0.271 644 2HD LYS 78 1HD LYS 78 3.796 15.747 0.229 645 1HE LYS 78 2HE LYS 78 2.926 16.950 -1.483 646 2HE LYS 78 1HE LYS 78 3.664 18.456 -0.939 647 1HZ LYS 78 1HZ LYS 78 5.193 16.251 -2.204 648 2HZ LYS 78 2HZ LYS 78 5.732 17.822 -1.882 649 3HZ LYS 78 3HZ LYS 78 4.555 17.559 -3.068 650 H GLY 79 H GLY 79 0.689 14.065 2.796 651 1HA GLY 79 2HA GLY 79 -1.183 15.364 4.447 652 2HA GLY 79 1HA GLY 79 -1.213 13.662 4.013 653 H GLN 80 H GLN 80 -1.292 12.397 5.733 654 HA GLN 80 HA GLN 80 -0.141 13.332 8.253 655 1HB GLN 80 2HB GLN 80 -2.458 12.585 8.325 656 2HB GLN 80 1HB GLN 80 -2.003 11.028 7.650 657 1HG GLN 80 2HG GLN 80 -2.339 10.755 9.986 658 2HG GLN 80 1HG GLN 80 -0.610 10.628 9.664 659 1HE2 GLN 80 1HE2 GLN 80 -2.812 11.872 11.722 660 2HE2 GLN 80 2HE2 GLN 80 -1.908 13.198 12.366 661 H ARG 81 H ARG 81 1.457 12.271 9.338 662 HA ARG 81 HA ARG 81 2.913 10.238 7.813 663 1HB ARG 81 2HB ARG 81 4.172 12.227 8.493 664 2HB ARG 81 1HB ARG 81 3.774 11.915 10.178 665 1HG ARG 81 2HG ARG 81 4.942 9.657 9.821 666 2HG ARG 81 1HG ARG 81 5.615 10.401 8.370 667 1HD ARG 81 2HD ARG 81 5.820 12.073 10.760 668 2HD ARG 81 1HD ARG 81 6.693 10.547 10.886 669 HE ARG 81 HE ARG 81 8.171 11.282 9.285 670 1HH1 ARG 81 1HH1 ARG 81 5.440 13.454 9.425 671 2HH1 ARG 81 2HH1 ARG 81 6.183 14.651 8.419 672 1HH2 ARG 81 1HH2 ARG 81 9.148 12.857 7.964 673 2HH2 ARG 81 2HH2 ARG 81 8.287 14.313 7.590 674 H THR 82 H THR 82 1.080 10.691 10.709 675 HA THR 82 HA THR 82 1.369 7.852 11.321 676 HB THR 82 HB THR 82 1.857 8.179 13.625 677 HG1 THR 82 1HG THR 82 1.852 10.182 14.591 678 1HG2 THR 82 1HG2 THR 82 3.719 8.769 11.827 679 2HG2 THR 82 2HG2 THR 82 4.004 8.872 13.565 680 3HG2 THR 82 3HG2 THR 82 3.628 10.329 12.645 681 H ASP 83 H ASP 83 -0.636 7.106 11.231 682 HA ASP 83 HA ASP 83 -2.939 8.745 11.525 683 1HB ASP 83 2HB ASP 83 -4.199 6.625 11.324 684 2HB ASP 83 1HB ASP 83 -2.973 6.797 10.070 685 H LYS 84 H LYS 84 -2.028 9.496 13.737 686 HA LYS 84 HA LYS 84 -2.132 9.536 16.020 687 1HB LYS 84 2HB LYS 84 -4.681 9.291 14.942 688 2HB LYS 84 1HB LYS 84 -4.658 8.114 16.247 689 1HG LYS 84 2HG LYS 84 -5.476 10.136 17.156 690 2HG LYS 84 1HG LYS 84 -3.825 9.942 17.750 691 1HD LYS 84 2HD LYS 84 -4.015 12.206 17.105 692 2HD LYS 84 1HD LYS 84 -3.104 11.415 15.817 693 1HE LYS 84 2HE LYS 84 -4.935 13.007 15.089 694 2HE LYS 84 1HE LYS 84 -4.968 11.396 14.374 695 1HZ LYS 84 1HZ LYS 84 -6.517 11.860 16.816 696 2HZ LYS 84 2HZ LYS 84 -6.836 10.824 15.516 697 3HZ LYS 84 3HZ LYS 84 -7.117 12.485 15.362 698 H TYR 85 H TYR 85 -0.922 7.122 14.833 699 HA TYR 85 HA TYR 85 -1.213 5.374 17.174 700 1HB TYR 85 2HB TYR 85 -1.758 4.715 14.385 701 2HB TYR 85 1HB TYR 85 -0.572 3.634 15.110 702 HD1 TYR 85 1HD TYR 85 -4.015 4.948 15.447 703 HD2 TYR 85 2HD TYR 85 -1.225 1.979 16.669 704 HE1 TYR 85 1HE TYR 85 -5.834 3.694 16.528 705 HE2 TYR 85 2HE TYR 85 -3.035 0.716 17.754 706 HH TYR 85 HH TYR 85 -6.167 1.099 17.145 707 H GLY 86 H GLY 86 0.772 7.423 15.871 708 1HA GLY 86 2HA GLY 86 3.049 7.704 15.817 709 2HA GLY 86 1HA GLY 86 3.113 6.397 16.990 710 H ARG 87 H ARG 87 1.662 5.677 13.953 711 HA ARG 87 HA ARG 87 3.808 3.831 13.350 712 1HB ARG 87 2HB ARG 87 1.280 4.368 11.783 713 2HB ARG 87 1HB ARG 87 2.343 2.976 11.624 714 1HG ARG 87 2HG ARG 87 1.462 3.224 14.341 715 2HG ARG 87 1HG ARG 87 0.078 3.232 13.248 716 1HD ARG 87 2HD ARG 87 1.285 1.213 12.138 717 2HD ARG 87 1HD ARG 87 2.148 1.116 13.672 718 HE ARG 87 HE ARG 87 -0.602 0.429 13.179 719 1HH1 ARG 87 1HH1 ARG 87 1.731 1.371 15.598 720 2HH1 ARG 87 2HH1 ARG 87 0.833 0.685 16.910 721 1HH2 ARG 87 1HH2 ARG 87 -1.783 -0.474 14.904 722 2HH2 ARG 87 2HH2 ARG 87 -1.161 -0.362 16.517 723 H GLY 88 H GLY 88 4.042 3.668 10.722 724 1HA GLY 88 2HA GLY 88 5.062 6.329 9.946 725 2HA GLY 88 1HA GLY 88 5.791 4.807 9.458 726 H LEU 89 H LEU 89 2.769 6.664 9.172 727 HA LEU 89 HA LEU 89 1.620 5.254 7.074 728 1HB LEU 89 2HB LEU 89 1.384 8.000 8.149 729 2HB LEU 89 1HB LEU 89 0.789 7.759 6.518 730 HG LEU 89 HG LEU 89 -0.116 6.173 8.921 731 1HD1 LEU 89 1HD1 LEU 89 -1.043 8.228 9.348 732 2HD1 LEU 89 2HD1 LEU 89 -2.283 7.509 8.320 733 3HD1 LEU 89 3HD1 LEU 89 -1.136 8.663 7.641 734 1HD2 LEU 89 1HD2 LEU 89 -0.219 5.412 6.324 735 2HD2 LEU 89 2HD2 LEU 89 -1.741 6.291 6.475 736 3HD2 LEU 89 3HD2 LEU 89 -1.396 4.935 7.547 737 H ALA 90 H ALA 90 2.305 4.867 5.080 738 HA ALA 90 HA ALA 90 3.130 6.770 3.235 739 1HB ALA 90 1HB ALA 90 5.139 7.185 4.363 740 2HB ALA 90 2HB ALA 90 5.588 6.070 3.073 741 3HB ALA 90 3HB ALA 90 5.395 5.477 4.723 742 H TYR 91 H TYR 91 4.138 5.762 1.256 743 HA TYR 91 HA TYR 91 2.795 3.265 0.724 744 1HB TYR 91 2HB TYR 91 4.607 4.828 -1.121 745 2HB TYR 91 1HB TYR 91 3.413 3.617 -1.576 746 HD1 TYR 91 1HD TYR 91 0.985 4.138 -1.340 747 HD2 TYR 91 2HD TYR 91 3.989 7.095 -0.767 748 HE1 TYR 91 1HE TYR 91 -0.710 5.901 -1.598 749 HE2 TYR 91 2HE TYR 91 2.303 8.866 -1.021 750 HH TYR 91 HH TYR 91 -0.920 8.200 -2.098 751 H ILE 92 H ILE 92 3.724 1.295 0.266 752 HA ILE 92 HA ILE 92 6.512 1.003 1.125 753 HB ILE 92 HB ILE 92 4.475 -1.181 0.699 754 1HG1 ILE 92 2HG1 ILE 92 3.823 0.488 2.465 755 2HG1 ILE 92 1HG1 ILE 92 4.046 -1.154 3.058 756 1HG2 ILE 92 1HG2 ILE 92 7.017 -1.240 2.309 757 2HG2 ILE 92 2HG2 ILE 92 6.911 -1.776 0.632 758 3HG2 ILE 92 3HG2 ILE 92 5.976 -2.597 1.882 759 1HD1 ILE 92 1HD1 ILE 92 5.124 1.104 4.152 760 2HD1 ILE 92 2HD1 ILE 92 6.464 0.459 3.204 761 3HD1 ILE 92 3HD1 ILE 92 5.688 -0.544 4.430 762 H TYR 93 H TYR 93 8.074 0.099 -0.140 763 HA TYR 93 HA TYR 93 7.318 -0.746 -2.852 764 1HB TYR 93 2HB TYR 93 9.727 0.973 -2.231 765 2HB TYR 93 1HB TYR 93 9.155 0.479 -3.821 766 HD1 TYR 93 2HD TYR 93 6.892 1.351 -4.600 767 HD2 TYR 93 1HD TYR 93 8.955 2.955 -1.243 768 HE1 TYR 93 2HE TYR 93 5.539 3.398 -4.754 769 HE2 TYR 93 1HE TYR 93 7.607 5.006 -1.387 770 HH TYR 93 HH TYR 93 4.803 5.244 -3.141 771 H ALA 94 H ALA 94 8.081 -2.697 -3.320 772 HA ALA 94 HA ALA 94 10.312 -3.748 -1.714 773 1HB ALA 94 1HB ALA 94 9.200 -5.912 -3.001 774 2HB ALA 94 2HB ALA 94 7.805 -4.890 -2.656 775 3HB ALA 94 3HB ALA 94 8.865 -5.407 -1.345 776 H ASP 95 H ASP 95 12.203 -4.058 -2.660 777 HA ASP 95 HA ASP 95 13.818 -3.952 -4.287 778 1HB ASP 95 2HB ASP 95 12.807 -6.357 -4.212 779 2HB ASP 95 1HB ASP 95 12.165 -5.943 -5.799 780 H GLY 96 H GLY 96 12.106 -1.841 -4.691 781 1HA GLY 96 2HA GLY 96 11.837 -0.226 -6.323 782 2HA GLY 96 1HA GLY 96 12.515 -1.349 -7.491 783 H LYS 97 H LYS 97 9.848 -2.459 -5.608 784 HA LYS 97 HA LYS 97 8.041 -1.970 -7.880 785 1HB LYS 97 2HB LYS 97 8.689 -4.311 -7.859 786 2HB LYS 97 1HB LYS 97 8.262 -4.446 -6.159 787 1HG LYS 97 2HG LYS 97 6.300 -5.203 -6.868 788 2HG LYS 97 1HG LYS 97 5.940 -3.532 -7.302 789 1HD LYS 97 2HD LYS 97 7.345 -5.413 -9.180 790 2HD LYS 97 1HD LYS 97 5.586 -5.295 -9.106 791 1HE LYS 97 2HE LYS 97 5.879 -3.711 -10.680 792 2HE LYS 97 1HE LYS 97 6.246 -2.684 -9.295 793 1HZ LYS 97 1HZ LYS 97 8.014 -3.739 -11.343 794 2HZ LYS 97 2HZ LYS 97 8.637 -3.738 -9.770 795 3HZ LYS 97 3HZ LYS 97 8.108 -2.292 -10.469 796 H MET 98 H MET 98 5.965 -1.353 -7.414 797 HA MET 98 HA MET 98 5.508 -0.287 -4.783 798 1HB MET 98 2HB MET 98 4.250 -0.075 -7.438 799 2HB MET 98 1HB MET 98 3.132 0.035 -6.085 800 1HG MET 98 2HG MET 98 4.291 1.905 -5.180 801 2HG MET 98 1HG MET 98 5.614 1.713 -6.330 802 1HE MET 98 1HE MET 98 4.283 4.485 -5.852 803 2HE MET 98 2HE MET 98 2.697 3.809 -5.479 804 3HE MET 98 3HE MET 98 2.891 4.901 -6.852 805 H VAL 99 H VAL 99 4.837 -1.523 -3.163 806 HA VAL 99 HA VAL 99 3.656 -4.071 -3.488 807 HB VAL 99 HB VAL 99 3.509 -2.374 -0.998 808 1HG1 VAL 99 1HG1 VAL 99 2.404 -4.807 -1.507 809 2HG1 VAL 99 2HG1 VAL 99 2.863 -4.224 0.093 810 3HG1 VAL 99 3HG1 VAL 99 3.960 -5.264 -0.815 811 1HG2 VAL 99 1HG2 VAL 99 5.776 -2.292 -1.369 812 2HG2 VAL 99 2HG2 VAL 99 5.803 -3.836 -2.219 813 3HG2 VAL 99 3HG2 VAL 99 5.643 -3.799 -0.464 814 H ASN 100 H ASN 100 2.329 -0.874 -2.799 815 HA ASN 100 HA ASN 100 -0.304 -1.626 -2.228 816 1HB ASN 100 2HB ASN 100 -0.856 0.727 -3.045 817 2HB ASN 100 1HB ASN 100 0.317 0.606 -1.737 818 1HD2 ASN 100 1HD2 ASN 100 -0.110 1.183 -5.155 819 2HD2 ASN 100 2HD2 ASN 100 1.402 1.978 -5.407 820 H GLU 101 H GLU 101 1.262 -0.870 -5.312 821 HA GLU 101 HA GLU 101 -1.061 -1.048 -6.903 822 1HB GLU 101 2HB GLU 101 1.863 -1.376 -7.576 823 2HB GLU 101 1HB GLU 101 0.588 -1.384 -8.787 824 1HG GLU 101 2HG GLU 101 0.027 0.904 -7.437 825 2HG GLU 101 1HG GLU 101 1.785 0.847 -7.322 826 H ALA 102 H ALA 102 1.540 -3.413 -6.306 827 HA ALA 102 HA ALA 102 0.472 -5.495 -7.830 828 1HB ALA 102 1HB ALA 102 2.076 -6.867 -6.864 829 2HB ALA 102 2HB ALA 102 2.020 -6.015 -5.322 830 3HB ALA 102 3HB ALA 102 2.790 -5.261 -6.717 831 H LEU 103 H LEU 103 -0.161 -4.522 -4.506 832 HA LEU 103 HA LEU 103 -1.659 -6.829 -3.793 833 1HB LEU 103 2HB LEU 103 -1.262 -4.109 -2.640 834 2HB LEU 103 1HB LEU 103 -2.591 -5.084 -2.045 835 HG LEU 103 HG LEU 103 0.179 -6.221 -2.123 836 1HD1 LEU 103 1HD1 LEU 103 0.885 -5.154 -0.255 837 2HD1 LEU 103 2HD1 LEU 103 -0.747 -4.950 0.382 838 3HD1 LEU 103 3HD1 LEU 103 -0.156 -3.879 -0.888 839 1HD2 LEU 103 1HD2 LEU 103 -0.683 -7.515 -0.221 840 2HD2 LEU 103 2HD2 LEU 103 -1.669 -7.730 -1.667 841 3HD2 LEU 103 3HD2 LEU 103 -2.230 -6.681 -0.366 842 H VAL 104 H VAL 104 -2.670 -3.526 -4.669 843 HA VAL 104 HA VAL 104 -5.439 -4.136 -4.690 844 HB VAL 104 HB VAL 104 -4.073 -1.871 -6.142 845 1HG1 VAL 104 1HG1 VAL 104 -6.222 -0.732 -5.870 846 2HG1 VAL 104 2HG1 VAL 104 -6.888 -2.173 -5.104 847 3HG1 VAL 104 3HG1 VAL 104 -6.393 -2.223 -6.796 848 1HG2 VAL 104 1HG2 VAL 104 -3.808 -0.728 -4.220 849 2HG2 VAL 104 2HG2 VAL 104 -3.838 -2.326 -3.476 850 3HG2 VAL 104 3HG2 VAL 104 -5.305 -1.348 -3.525 851 H ARG 105 H ARG 105 -2.962 -3.998 -7.208 852 HA ARG 105 HA ARG 105 -4.662 -4.334 -9.422 853 1HB ARG 105 2HB ARG 105 -1.756 -5.018 -8.985 854 2HB ARG 105 1HB ARG 105 -2.560 -5.252 -10.530 855 1HG ARG 105 2HG ARG 105 -3.051 -2.597 -9.558 856 2HG ARG 105 1HG ARG 105 -1.320 -2.933 -9.575 857 1HD ARG 105 2HD ARG 105 -3.253 -3.159 -11.876 858 2HD ARG 105 1HD ARG 105 -1.935 -2.001 -11.697 859 HE ARG 105 HE ARG 105 -0.796 -4.521 -11.589 860 1HH1 ARG 105 1HH1 ARG 105 -2.607 -2.621 -13.890 861 2HH1 ARG 105 2HH1 ARG 105 -1.873 -3.365 -15.270 862 1HH2 ARG 105 1HH2 ARG 105 0.171 -5.500 -13.404 863 2HH2 ARG 105 2HH2 ARG 105 -0.297 -5.001 -14.995 864 H GLN 106 H GLN 106 -3.278 -6.601 -7.152 865 HA GLN 106 HA GLN 106 -4.103 -8.911 -8.696 866 1HB GLN 106 2HB GLN 106 -2.598 -8.464 -6.158 867 2HB GLN 106 1HB GLN 106 -3.365 -10.026 -6.407 868 1HG GLN 106 2HG GLN 106 -1.014 -9.998 -7.104 869 2HG GLN 106 1HG GLN 106 -2.111 -10.373 -8.431 870 1HE2 GLN 106 1HE2 GLN 106 0.583 -8.739 -7.694 871 2HE2 GLN 106 2HE2 GLN 106 0.511 -7.470 -8.864 872 H GLY 107 H GLY 107 -5.277 -6.966 -6.067 873 1HA GLY 107 2HA GLY 107 -7.619 -6.941 -5.547 874 2HA GLY 107 1HA GLY 107 -7.696 -8.641 -5.987 875 H LEU 108 H LEU 108 -5.351 -7.029 -3.888 876 HA LEU 108 HA LEU 108 -6.315 -8.713 -1.668 877 1HB LEU 108 2HB LEU 108 -3.553 -7.953 -2.536 878 2HB LEU 108 1HB LEU 108 -3.863 -8.318 -0.848 879 HG LEU 108 HG LEU 108 -2.985 -10.246 -2.147 880 1HD1 LEU 108 1HD1 LEU 108 -4.803 -10.240 -0.170 881 2HD1 LEU 108 2HD1 LEU 108 -4.137 -11.711 -0.878 882 3HD1 LEU 108 3HD1 LEU 108 -5.706 -11.108 -1.411 883 1HD2 LEU 108 1HD2 LEU 108 -4.300 -9.572 -4.231 884 2HD2 LEU 108 2HD2 LEU 108 -5.677 -10.371 -3.470 885 3HD2 LEU 108 3HD2 LEU 108 -4.218 -11.290 -3.842 886 H ALA 109 H ALA 109 -5.149 -5.549 -2.639 887 HA ALA 109 HA ALA 109 -5.965 -4.507 -0.005 888 1HB ALA 109 1HB ALA 109 -3.808 -3.458 -1.832 889 2HB ALA 109 2HB ALA 109 -3.569 -4.288 -0.294 890 3HB ALA 109 3HB ALA 109 -4.331 -2.698 -0.329 891 H LYS 110 H LYS 110 -6.991 -2.458 0.042 892 HA LYS 110 HA LYS 110 -8.233 -1.695 -2.520 893 1HB LYS 110 2HB LYS 110 -10.186 -0.955 -1.213 894 2HB LYS 110 1HB LYS 110 -9.867 -2.671 -1.005 895 1HG LYS 110 2HG LYS 110 -10.112 -2.227 1.170 896 2HG LYS 110 1HG LYS 110 -8.458 -1.621 1.062 897 1HD LYS 110 2HD LYS 110 -9.653 0.094 2.129 898 2HD LYS 110 1HD LYS 110 -9.503 0.627 0.453 899 1HE LYS 110 2HE LYS 110 -11.717 0.524 0.097 900 2HE LYS 110 1HE LYS 110 -11.889 -0.983 0.998 901 1HZ LYS 110 1HZ LYS 110 -11.609 1.709 2.222 902 2HZ LYS 110 2HZ LYS 110 -11.860 0.255 3.051 903 3HZ LYS 110 3HZ LYS 110 -13.069 0.872 2.041 904 H VAL 111 H VAL 111 -9.336 0.655 -2.027 905 HA VAL 111 HA VAL 111 -7.033 2.377 -1.553 906 HB VAL 111 HB VAL 111 -9.771 3.182 -2.536 907 1HG1 VAL 111 1HG1 VAL 111 -8.512 5.108 -3.478 908 2HG1 VAL 111 2HG1 VAL 111 -7.080 4.538 -2.621 909 3HG1 VAL 111 3HG1 VAL 111 -8.505 5.048 -1.716 910 1HG2 VAL 111 1HG2 VAL 111 -7.363 2.653 -4.259 911 2HG2 VAL 111 2HG2 VAL 111 -9.030 2.929 -4.763 912 3HG2 VAL 111 3HG2 VAL 111 -8.594 1.431 -3.942 913 H ALA 112 H ALA 112 -6.724 2.912 0.518 914 HA ALA 112 HA ALA 112 -8.682 2.965 2.521 915 1HB ALA 112 1HB ALA 112 -7.008 3.569 3.937 916 2HB ALA 112 2HB ALA 112 -6.320 4.736 2.808 917 3HB ALA 112 3HB ALA 112 -6.027 3.012 2.583 918 H TYR 113 H TYR 113 -8.443 5.343 3.873 919 HA TYR 113 HA TYR 113 -9.457 7.386 2.024 920 1HB TYR 113 2HB TYR 113 -10.767 6.822 4.683 921 2HB TYR 113 1HB TYR 113 -11.348 7.867 3.391 922 HD1 TYR 113 1HD TYR 113 -11.278 6.320 1.011 923 HD2 TYR 113 2HD TYR 113 -12.173 5.020 4.962 924 HE1 TYR 113 1HE TYR 113 -12.593 4.457 0.094 925 HE2 TYR 113 2HE TYR 113 -13.490 3.152 4.056 926 HH TYR 113 HH TYR 113 -14.713 2.615 1.945 927 H VAL 114 H VAL 114 -7.435 8.433 2.272 928 HA VAL 114 HA VAL 114 -6.794 9.431 4.949 929 HB VAL 114 HB VAL 114 -5.167 9.760 2.431 930 1HG1 VAL 114 1HG1 VAL 114 -4.183 11.254 3.809 931 2HG1 VAL 114 2HG1 VAL 114 -3.409 9.811 4.465 932 3HG1 VAL 114 3HG1 VAL 114 -4.823 10.495 5.267 933 1HG2 VAL 114 1HG2 VAL 114 -3.928 7.836 2.978 934 2HG2 VAL 114 2HG2 VAL 114 -5.618 7.357 3.132 935 3HG2 VAL 114 3HG2 VAL 114 -4.669 7.713 4.574 936 H TYR 115 H TYR 115 -8.265 11.073 5.265 937 HA TYR 115 HA TYR 115 -8.418 13.200 3.261 938 1HB TYR 115 2HB TYR 115 -10.307 14.044 4.617 939 2HB TYR 115 1HB TYR 115 -10.548 12.379 4.100 940 HD1 TYR 115 1HD TYR 115 -9.906 14.580 6.959 941 HD2 TYR 115 2HD TYR 115 -10.549 10.564 5.709 942 HE1 TYR 115 1HE TYR 115 -10.295 13.921 9.296 943 HE2 TYR 115 2HE TYR 115 -10.941 9.894 8.043 944 HH TYR 115 HH TYR 115 -11.766 11.198 10.218 945 H LYS 116 H LYS 116 -6.027 12.818 4.872 946 HA LYS 116 HA LYS 116 -6.079 15.168 6.624 947 1HB LYS 116 2HB LYS 116 -3.833 13.177 6.332 948 2HB LYS 116 1HB LYS 116 -4.078 14.338 7.628 949 1HG LYS 116 2HG LYS 116 -6.377 12.881 7.752 950 2HG LYS 116 1HG LYS 116 -5.200 11.664 7.256 951 1HD LYS 116 2HD LYS 116 -4.080 11.753 9.225 952 2HD LYS 116 1HD LYS 116 -4.366 13.482 9.431 953 1HE LYS 116 2HE LYS 116 -6.513 11.398 9.762 954 2HE LYS 116 1HE LYS 116 -5.513 11.974 11.094 955 1HZ LYS 116 1HZ LYS 116 -6.804 14.022 9.486 956 2HZ LYS 116 2HZ LYS 116 -6.580 13.941 11.160 957 3HZ LYS 116 3HZ LYS 116 -7.835 13.071 10.432 958 H GLY 117 H GLY 117 -4.703 13.924 3.673 959 1HA GLY 117 2HA GLY 117 -4.174 16.256 2.416 960 2HA GLY 117 1HA GLY 117 -2.757 16.050 3.434 961 H ASN 118 H ASN 118 -2.974 13.076 3.156 962 HA ASN 118 HA ASN 118 -1.216 12.783 0.968 963 1HB ASN 118 2HB ASN 118 -1.239 11.281 2.944 964 2HB ASN 118 1HB ASN 118 -2.782 10.628 2.398 965 1HD2 ASN 118 1HD2 ASN 118 -2.362 8.627 1.771 966 2HD2 ASN 118 2HD2 ASN 118 -1.129 8.160 0.656 967 H ASN 119 H ASN 119 -2.419 13.752 -0.752 968 HA ASN 119 HA ASN 119 -4.215 11.830 -2.050 969 1HB ASN 119 2HB ASN 119 -5.200 14.103 -0.911 970 2HB ASN 119 1HB ASN 119 -4.865 14.664 -2.547 971 1HD2 ASN 119 1HD2 ASN 119 -6.585 12.259 -0.655 972 2HD2 ASN 119 2HD2 ASN 119 -7.805 11.933 -1.833 973 H THR 120 H THR 120 -1.578 11.937 -2.635 974 HA THR 120 HA THR 120 -1.370 13.556 -5.081 975 HB THR 120 HB THR 120 0.876 12.104 -3.687 976 HG1 THR 120 1HG THR 120 1.296 13.992 -2.602 977 1HG2 THR 120 1HG2 THR 120 0.714 14.093 -5.878 978 2HG2 THR 120 2HG2 THR 120 1.798 12.716 -5.670 979 3HG2 THR 120 3HG2 THR 120 2.065 14.196 -4.749 980 H HIS 121 H HIS 121 -0.703 10.286 -3.844 981 HA HIS 121 HA HIS 121 -0.485 9.279 -6.568 982 1HB HIS 121 2HB HIS 121 -0.040 8.000 -3.872 983 2HB HIS 121 1HB HIS 121 0.041 7.103 -5.385 984 HD1 HIS 121 1HD HIS 121 1.636 10.279 -4.002 985 HD2 HIS 121 2HD HIS 121 2.575 6.936 -6.284 986 HE1 HIS 121 1HE HIS 121 4.082 10.500 -4.544 987 HE2 HIS 121 2HE HIS 121 4.647 8.422 -5.850 988 H GLU 122 H GLU 122 -3.055 10.128 -4.995 989 HA GLU 122 HA GLU 122 -4.657 7.859 -4.650 990 1HB GLU 122 2HB GLU 122 -4.978 10.557 -4.280 991 2HB GLU 122 1HB GLU 122 -6.069 10.241 -5.622 992 1HG GLU 122 2HG GLU 122 -6.660 8.194 -3.917 993 2HG GLU 122 1HG GLU 122 -6.288 9.511 -2.804 994 H GLN 123 H GLN 123 -3.493 9.301 -7.516 995 HA GLN 123 HA GLN 123 -5.617 8.570 -9.262 996 1HB GLN 123 2HB GLN 123 -2.710 9.065 -9.928 997 2HB GLN 123 1HB GLN 123 -4.052 9.068 -11.064 998 1HG GLN 123 2HG GLN 123 -4.031 10.943 -8.738 999 2HG GLN 123 1HG GLN 123 -3.116 11.310 -10.200 1000 1HE2 GLN 123 1HE2 GLN 123 -4.638 10.592 -12.219 1001 2HE2 GLN 123 2HE2 GLN 123 -6.159 11.411 -12.210 1002 H LEU 124 H LEU 124 -2.393 7.142 -8.707 1003 HA LEU 124 HA LEU 124 -2.850 4.884 -10.347 1004 1HB LEU 124 2HB LEU 124 -0.865 3.930 -9.189 1005 2HB LEU 124 1HB LEU 124 -0.602 5.522 -9.874 1006 HG LEU 124 HG LEU 124 -1.432 5.510 -7.047 1007 1HD1 LEU 124 1HD1 LEU 124 0.893 4.974 -6.306 1008 2HD1 LEU 124 2HD1 LEU 124 1.205 4.357 -7.928 1009 3HD1 LEU 124 3HD1 LEU 124 -0.021 3.596 -6.915 1010 1HD2 LEU 124 1HD2 LEU 124 0.808 6.996 -7.220 1011 2HD2 LEU 124 2HD2 LEU 124 -0.805 7.604 -7.597 1012 3HD2 LEU 124 3HD2 LEU 124 0.258 7.060 -8.895 1013 H LEU 125 H LEU 125 -3.423 5.537 -6.950 1014 HA LEU 125 HA LEU 125 -3.865 2.888 -6.103 1015 1HB LEU 125 2HB LEU 125 -5.119 5.414 -5.024 1016 2HB LEU 125 1HB LEU 125 -5.006 3.875 -4.190 1017 HG LEU 125 HG LEU 125 -2.499 5.236 -5.081 1018 1HD1 LEU 125 1HD1 LEU 125 -4.396 6.257 -3.114 1019 2HD1 LEU 125 2HD1 LEU 125 -3.023 7.048 -3.885 1020 3HD1 LEU 125 3HD1 LEU 125 -2.770 6.021 -2.475 1021 1HD2 LEU 125 1HD2 LEU 125 -2.863 3.823 -2.496 1022 2HD2 LEU 125 2HD2 LEU 125 -1.467 3.876 -3.571 1023 3HD2 LEU 125 3HD2 LEU 125 -2.851 2.860 -3.973 1024 H ARG 126 H ARG 126 -6.099 5.377 -7.292 1025 HA ARG 126 HA ARG 126 -8.426 3.763 -7.051 1026 1HB ARG 126 2HB ARG 126 -7.742 6.395 -8.205 1027 2HB ARG 126 1HB ARG 126 -9.116 5.585 -8.943 1028 1HG ARG 126 2HG ARG 126 -10.096 5.337 -6.660 1029 2HG ARG 126 1HG ARG 126 -8.783 6.347 -6.053 1030 1HD ARG 126 2HD ARG 126 -9.724 8.227 -6.822 1031 2HD ARG 126 1HD ARG 126 -10.154 7.487 -8.364 1032 HE ARG 126 HE ARG 126 -12.254 7.107 -7.550 1033 1HH1 ARG 126 1HH1 ARG 126 -10.123 7.769 -4.867 1034 2HH1 ARG 126 2HH1 ARG 126 -11.403 7.822 -3.702 1035 1HH2 ARG 126 1HH2 ARG 126 -13.939 7.177 -6.019 1036 2HH2 ARG 126 2HH2 ARG 126 -13.569 7.486 -4.355 1037 H LYS 127 H LYS 127 -6.046 4.258 -9.567 1038 HA LYS 127 HA LYS 127 -7.460 3.128 -11.719 1039 1HB LYS 127 2HB LYS 127 -5.051 4.346 -11.454 1040 2HB LYS 127 1HB LYS 127 -4.542 2.674 -11.642 1041 1HG LYS 127 2HG LYS 127 -4.648 3.070 -13.829 1042 2HG LYS 127 1HG LYS 127 -6.397 2.941 -13.633 1043 1HD LYS 127 2HD LYS 127 -5.270 5.582 -13.007 1044 2HD LYS 127 1HD LYS 127 -5.118 5.090 -14.696 1045 1HE LYS 127 2HE LYS 127 -7.491 4.741 -14.862 1046 2HE LYS 127 1HE LYS 127 -7.697 5.028 -13.135 1047 1HZ LYS 127 1HZ LYS 127 -8.245 7.063 -13.956 1048 2HZ LYS 127 2HZ LYS 127 -7.219 6.945 -15.295 1049 3HZ LYS 127 3HZ LYS 127 -6.580 7.300 -13.771 1050 H SER 128 H SER 128 -5.107 1.669 -9.483 1051 HA SER 128 HA SER 128 -5.334 -0.947 -10.536 1052 1HB SER 128 2HB SER 128 -4.328 -1.580 -8.249 1053 2HB SER 128 1HB SER 128 -3.377 -0.524 -9.294 1054 HG SER 128 HG SER 128 -4.610 0.009 -6.874 1055 H GLU 129 H GLU 129 -7.000 0.762 -7.947 1056 HA GLU 129 HA GLU 129 -8.395 -1.519 -6.960 1057 1HB GLU 129 2HB GLU 129 -8.008 0.495 -5.596 1058 2HB GLU 129 1HB GLU 129 -9.050 1.419 -6.669 1059 1HG GLU 129 2HG GLU 129 -10.564 -0.790 -5.872 1060 2HG GLU 129 1HG GLU 129 -9.739 -0.224 -4.421 1061 H ALA 130 H ALA 130 -9.159 1.041 -9.270 1062 HA ALA 130 HA ALA 130 -11.869 0.351 -9.659 1063 1HB ALA 130 1HB ALA 130 -11.809 1.788 -11.567 1064 2HB ALA 130 2HB ALA 130 -10.053 1.675 -11.665 1065 3HB ALA 130 3HB ALA 130 -10.807 2.516 -10.312 1066 H GLN 131 H GLN 131 -8.926 -0.521 -11.455 1067 HA GLN 131 HA GLN 131 -10.173 -2.052 -13.444 1068 1HB GLN 131 2HB GLN 131 -7.968 -3.036 -13.831 1069 2HB GLN 131 1HB GLN 131 -7.847 -1.297 -13.606 1070 1HG GLN 131 2HG GLN 131 -7.055 -1.595 -11.355 1071 2HG GLN 131 1HG GLN 131 -7.301 -3.337 -11.463 1072 1HE2 GLN 131 1HE2 GLN 131 -5.957 -4.546 -12.884 1073 2HE2 GLN 131 2HE2 GLN 131 -4.387 -3.966 -13.314 1074 H ALA 132 H ALA 132 -9.028 -2.898 -10.220 1075 HA ALA 132 HA ALA 132 -9.497 -5.702 -10.516 1076 1HB ALA 132 1HB ALA 132 -9.117 -5.799 -8.089 1077 2HB ALA 132 2HB ALA 132 -9.121 -4.036 -8.030 1078 3HB ALA 132 3HB ALA 132 -7.859 -4.885 -8.921 1079 H LYS 133 H LYS 133 -11.404 -2.960 -9.536 1080 HA LYS 133 HA LYS 133 -13.466 -4.422 -8.223 1081 1HB LYS 133 2HB LYS 133 -12.818 -1.806 -8.320 1082 2HB LYS 133 1HB LYS 133 -14.131 -1.829 -9.489 1083 1HG LYS 133 2HG LYS 133 -14.337 -2.883 -6.677 1084 2HG LYS 133 1HG LYS 133 -14.849 -1.273 -7.189 1085 1HD LYS 133 2HD LYS 133 -16.844 -2.233 -7.545 1086 2HD LYS 133 1HD LYS 133 -16.104 -2.874 -9.014 1087 1HE LYS 133 2HE LYS 133 -15.562 -4.933 -7.916 1088 2HE LYS 133 1HE LYS 133 -16.068 -4.290 -6.354 1089 1HZ LYS 133 1HZ LYS 133 -17.842 -5.599 -7.071 1090 2HZ LYS 133 2HZ LYS 133 -17.756 -5.037 -8.663 1091 3HZ LYS 133 3HZ LYS 133 -18.333 -4.022 -7.439 1092 H LYS 134 H LYS 134 -13.237 -2.945 -11.458 1093 HA LYS 134 HA LYS 134 -15.745 -3.897 -12.351 1094 1HB LYS 134 2HB LYS 134 -13.321 -3.115 -13.979 1095 2HB LYS 134 1HB LYS 134 -14.957 -3.291 -14.596 1096 1HG LYS 134 2HG LYS 134 -15.407 -1.189 -14.080 1097 2HG LYS 134 1HG LYS 134 -15.017 -1.498 -12.387 1098 1HD LYS 134 2HD LYS 134 -13.349 -0.034 -12.688 1099 2HD LYS 134 1HD LYS 134 -12.536 -1.344 -13.546 1100 1HE LYS 134 2HE LYS 134 -12.842 -0.386 -15.564 1101 2HE LYS 134 1HE LYS 134 -14.448 0.212 -15.150 1102 1HZ LYS 134 1HZ LYS 134 -12.708 1.952 -15.518 1103 2HZ LYS 134 2HZ LYS 134 -11.958 1.425 -14.098 1104 3HZ LYS 134 3HZ LYS 134 -13.523 2.061 -14.040 1105 H GLU 135 H GLU 135 -12.550 -5.286 -12.275 1106 HA GLU 135 HA GLU 135 -13.293 -7.498 -13.999 1107 1HB GLU 135 2HB GLU 135 -10.775 -6.654 -12.607 1108 2HB GLU 135 1HB GLU 135 -10.931 -8.294 -13.223 1109 1HG GLU 135 2HG GLU 135 -11.699 -6.266 -15.163 1110 2HG GLU 135 1HG GLU 135 -10.027 -6.122 -14.625 1111 H LYS 136 H LYS 136 -13.102 -6.780 -10.608 1112 HA LYS 136 HA LYS 136 -13.629 -7.976 -8.745 1113 1HB LYS 136 2HB LYS 136 -14.973 -9.864 -10.688 1114 2HB LYS 136 1HB LYS 136 -15.277 -9.757 -8.960 1115 1HG LYS 136 2HG LYS 136 -15.625 -7.223 -10.364 1116 2HG LYS 136 1HG LYS 136 -16.714 -8.499 -10.911 1117 1HD LYS 136 2HD LYS 136 -16.844 -8.786 -8.202 1118 2HD LYS 136 1HD LYS 136 -16.638 -7.041 -8.366 1119 1HE LYS 136 2HE LYS 136 -18.554 -6.910 -9.828 1120 2HE LYS 136 1HE LYS 136 -18.719 -8.665 -9.821 1121 1HZ LYS 136 1HZ LYS 136 -20.086 -7.062 -8.208 1122 2HZ LYS 136 2HZ LYS 136 -18.749 -7.374 -7.219 1123 3HZ LYS 136 3HZ LYS 136 -19.686 -8.656 -7.803 1124 H LEU 137 H LEU 137 -11.199 -8.359 -8.921 1125 HA LEU 137 HA LEU 137 -10.288 -10.945 -9.709 1126 1HB LEU 137 2HB LEU 137 -9.027 -8.748 -8.079 1127 2HB LEU 137 1HB LEU 137 -8.202 -10.249 -8.456 1128 HG LEU 137 HG LEU 137 -9.315 -8.539 -10.654 1129 1HD1 LEU 137 1HD1 LEU 137 -6.971 -7.996 -8.938 1130 2HD1 LEU 137 2HD1 LEU 137 -7.995 -6.887 -9.850 1131 3HD1 LEU 137 3HD1 LEU 137 -6.744 -7.815 -10.677 1132 1HD2 LEU 137 1HD2 LEU 137 -7.391 -10.785 -10.374 1133 2HD2 LEU 137 2HD2 LEU 137 -7.103 -9.594 -11.644 1134 3HD2 LEU 137 3HD2 LEU 137 -8.620 -10.492 -11.605 1135 H ASN 138 H ASN 138 -9.959 -9.524 -6.465 1136 HA ASN 138 HA ASN 138 -11.007 -12.019 -5.324 1137 1HB ASN 138 2HB ASN 138 -8.315 -10.830 -4.964 1138 2HB ASN 138 1HB ASN 138 -9.097 -11.448 -3.512 1139 1HD2 ASN 138 1HD2 ASN 138 -7.209 -12.903 -3.609 1140 2HD2 ASN 138 2HD2 ASN 138 -7.354 -14.359 -4.530 1141 H ILE 139 H ILE 139 -9.563 -9.061 -3.971 1142 HA ILE 139 HA ILE 139 -11.279 -8.816 -1.812 1143 HB ILE 139 HB ILE 139 -10.655 -6.394 -1.790 1144 1HG1 ILE 139 2HG1 ILE 139 -9.176 -7.161 -4.318 1145 2HG1 ILE 139 1HG1 ILE 139 -10.505 -6.013 -4.195 1146 1HG2 ILE 139 1HG2 ILE 139 -8.998 -7.241 -0.578 1147 2HG2 ILE 139 2HG2 ILE 139 -8.017 -7.280 -2.043 1148 3HG2 ILE 139 3HG2 ILE 139 -8.947 -8.700 -1.567 1149 1HD1 ILE 139 1HD1 ILE 139 -7.662 -5.653 -3.689 1150 2HD1 ILE 139 2HD1 ILE 139 -8.692 -5.012 -2.408 1151 3HD1 ILE 139 3HD1 ILE 139 -8.910 -4.467 -4.072 1152 H TRP 140 H TRP 140 -11.642 -7.579 -5.097 1153 HA TRP 140 HA TRP 140 -14.233 -6.413 -4.386 1154 1HB TRP 140 2HB TRP 140 -12.720 -6.230 -6.998 1155 2HB TRP 140 1HB TRP 140 -14.157 -5.316 -6.556 1156 HD1 TRP 140 HD TRP 140 -10.793 -4.554 -7.062 1157 HE1 TRP 140 1HE TRP 140 -9.896 -2.717 -5.500 1158 HE3 TRP 140 3HE TRP 140 -14.440 -4.680 -3.478 1159 HZ2 TRP 140 2HZ TRP 140 -10.634 -1.484 -3.071 1160 HZ3 TRP 140 3HZ TRP 140 -14.268 -3.139 -1.569 1161 HH2 TRP 140 HH TRP 140 -12.403 -1.575 -1.371 1162 H SER 141 H SER 141 -13.836 -9.296 -4.508 1163 HA SER 141 HA SER 141 -15.483 -9.995 -6.842 1164 1HB SER 141 2HB SER 141 -13.335 -11.217 -6.607 1165 2HB SER 141 1HB SER 141 -13.878 -11.829 -5.046 1166 HG SER 141 HG SER 141 -14.231 -13.068 -7.192 1167 H GLU 142 H GLU 142 -16.480 -8.753 -4.378 1168 HA GLU 142 HA GLU 142 -18.806 -10.273 -4.014 1169 1HB GLU 142 2HB GLU 142 -18.396 -10.805 -1.539 1170 2HB GLU 142 1HB GLU 142 -17.654 -11.861 -2.733 1171 1HG GLU 142 2HG GLU 142 -15.803 -9.807 -2.206 1172 2HG GLU 142 1HG GLU 142 -16.428 -10.347 -0.649 1173 H ASP 143 H ASP 143 -18.084 -7.588 -4.504 1174 HA ASP 143 HA ASP 143 -18.597 -6.105 -2.064 1175 1HB ASP 143 2HB ASP 143 -17.120 -5.494 -4.235 1176 2HB ASP 143 1HB ASP 143 -18.635 -4.716 -4.682 1177 H ASN 144 H ASN 144 -20.344 -4.559 -1.893 1178 HA ASN 144 HA ASN 144 -22.618 -4.885 -3.662 1179 1HB ASN 144 2HB ASN 144 -22.713 -6.717 -1.871 1180 2HB ASN 144 1HB ASN 144 -23.027 -5.418 -0.724 1181 1HD2 ASN 144 1HD2 ASN 144 -24.610 -7.736 -1.950 1182 2HD2 ASN 144 2HD2 ASN 144 -26.111 -7.004 -2.392 1183 H ALA 145 H ALA 145 -21.462 -3.528 -0.589 1184 HA ALA 145 HA ALA 145 -21.678 -1.465 0.346 1185 1HB ALA 145 1HB ALA 145 -21.893 -0.844 -2.571 1186 2HB ALA 145 2HB ALA 145 -20.593 -0.471 -1.439 1187 3HB ALA 145 3HB ALA 145 -22.107 0.430 -1.371 1188 H ASP 146 H ASP 146 -23.237 0.408 0.660 1189 HA ASP 146 HA ASP 146 -25.993 -0.597 0.393 1190 1HB ASP 146 2HB ASP 146 -24.916 -0.300 2.724 1191 2HB ASP 146 1HB ASP 146 -25.119 1.426 2.441 1192 H SER 147 H SER 147 -24.558 0.976 -1.595 1193 HA SER 147 HA SER 147 -24.915 2.732 -2.995 1194 1HB SER 147 2HB SER 147 -27.380 1.820 -2.380 1195 2HB SER 147 1HB SER 147 -27.513 3.471 -1.776 1196 HG SER 147 HG SER 147 -26.882 2.621 -4.402 1197 H GLY 148 H GLY 148 -23.246 3.971 -2.041 1198 1HA GLY 148 2HA GLY 148 -24.189 6.466 -0.927 1199 2HA GLY 148 1HA GLY 148 -23.213 5.514 0.182 1200 H GLN 149 H GLN 149 -23.053 6.388 -3.275 1201 HA GLN 149 HA GLN 149 -20.239 7.145 -2.835 1202 1HB GLN 149 2HB GLN 149 -21.056 5.161 -4.457 1203 2HB GLN 149 1HB GLN 149 -21.167 6.510 -5.580 1204 1HG GLN 149 2HG GLN 149 -18.895 6.916 -5.527 1205 2HG GLN 149 1HG GLN 149 -18.684 6.104 -3.976 1206 1HE2 GLN 149 1HE2 GLN 149 -18.820 3.789 -3.936 1207 2HE2 GLN 149 2HE2 GLN 149 -18.401 2.874 -5.341
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