NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
652057 | 6ut2 | 30681 | cing | 1-original | 2 | MR format | nomenclature mapping |
CDF Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 2 H1 SER 2 27.528 24.071 50.923 2 H2 SER 2 H2 SER 2 28.197 22.579 50.863 3 H3 SER 2 H3 SER 2 26.827 22.802 51.736 4 HA SER 2 HA SER 2 26.253 21.694 49.773 5 HB2 SER 2 HB2 SER 2 24.648 23.365 50.629 6 HB3 SER 2 HB3 SER 2 25.386 24.592 49.574 7 HG SER 2 HG SER 2 23.632 22.587 48.986 8 H THR 3 H THR 3 26.770 21.049 47.855 9 HA THR 3 HA THR 3 28.953 22.051 46.309 10 HB THR 3 HB THR 3 27.834 20.503 44.551 11 HG1 THR 3 HG1 THR 3 26.138 19.299 45.266 12 HG21 THR 3 HG21 THR 3 28.513 19.349 47.287 13 HG22 THR 3 HG22 THR 3 28.428 18.436 45.762 14 HG23 THR 3 HG23 THR 3 29.660 19.690 45.973 15 H PHE 4 H PHE 4 25.440 22.707 46.152 16 HA PHE 4 HA PHE 4 25.347 23.724 43.539 17 HB2 PHE 4 HB2 PHE 4 23.709 24.695 45.905 18 HB3 PHE 4 HB3 PHE 4 23.293 24.791 44.195 19 HD1 PHE 4 HD1 PHE 4 23.719 22.155 43.082 20 HD2 PHE 4 HD2 PHE 4 22.143 23.287 46.935 21 HE1 PHE 4 HE1 PHE 4 22.464 20.026 43.199 22 HE2 PHE 4 HE2 PHE 4 20.876 21.152 47.032 23 HZ PHE 4 HZ PHE 4 21.049 19.511 45.176 24 H GLY 5 H GLY 5 26.710 25.341 46.350 25 HA2 GLY 5 HA2 GLY 5 26.554 28.067 45.515 26 HA3 GLY 5 HA3 GLY 5 27.790 27.367 46.568 27 H TYR 6 H TYR 6 28.566 25.463 44.265 28 HA TYR 6 HA TYR 6 30.645 27.027 43.069 29 HB2 TYR 6 HB2 TYR 6 30.471 24.500 43.577 30 HB3 TYR 6 HB3 TYR 6 29.547 24.367 42.094 31 HD1 TYR 6 HD1 TYR 6 32.850 24.920 43.612 32 HD2 TYR 6 HD2 TYR 6 30.698 24.671 39.884 33 HE1 TYR 6 HE1 TYR 6 34.995 24.583 42.392 34 HE2 TYR 6 HE2 TYR 6 32.846 24.353 38.668 35 HH TYR 6 HH TYR 6 35.078 24.121 38.842 36 H ARG 7 H ARG 7 27.320 26.788 42.213 37 HA ARG 7 HA ARG 7 27.811 28.322 39.709 38 HB2 ARG 7 HB2 ARG 7 26.223 25.737 39.891 39 HB3 ARG 7 HB3 ARG 7 25.906 26.929 38.638 40 HG2 ARG 7 HG2 ARG 7 28.557 25.488 39.037 41 HG3 ARG 7 HG3 ARG 7 27.331 25.158 37.820 42 HD2 ARG 7 HD2 ARG 7 27.703 27.779 37.276 43 HD3 ARG 7 HD3 ARG 7 29.280 27.447 37.986 44 HE ARG 7 HE ARG 7 28.044 26.010 35.656 45 HH11 ARG 7 HH11 ARG 7 31.041 27.283 37.061 46 HH12 ARG 7 HH12 ARG 7 31.952 26.828 35.658 47 HH21 ARG 7 HH21 ARG 7 29.351 25.313 34.023 48 HH22 ARG 7 HH22 ARG 7 31.080 25.571 34.122 49 H ARG 8 H ARG 8 25.513 27.650 42.356 50 HA ARG 8 HA ARG 8 23.399 29.265 41.233 51 HB2 ARG 8 HB2 ARG 8 24.022 28.439 44.095 52 HB3 ARG 8 HB3 ARG 8 22.635 29.450 43.655 53 HG2 ARG 8 HG2 ARG 8 21.859 27.682 42.065 54 HG3 ARG 8 HG3 ARG 8 23.172 26.632 42.621 55 HD2 ARG 8 HD2 ARG 8 22.244 26.735 44.937 56 HD3 ARG 8 HD3 ARG 8 20.954 27.800 44.359 57 HE ARG 8 HE ARG 8 21.085 25.287 42.876 58 HH11 ARG 8 HH11 ARG 8 19.859 26.512 45.948 59 HH12 ARG 8 HH12 ARG 8 18.386 25.565 45.784 60 HH21 ARG 8 HH21 ARG 8 19.336 23.874 43.023 61 HH22 ARG 8 HH22 ARG 8 18.146 24.169 44.265 62 H GLY 9 H GLY 9 23.588 31.245 40.627 63 HA2 GLY 9 HA2 GLY 9 23.821 33.581 40.918 64 HA3 GLY 9 HA3 GLY 9 24.847 33.333 42.329 65 H LEU 10 H LEU 10 25.701 31.442 39.487 66 HA LEU 10 HA LEU 10 27.740 33.417 38.565 67 HB2 LEU 10 HB2 LEU 10 28.211 30.488 39.229 68 HB3 LEU 10 HB3 LEU 10 29.395 31.565 38.522 69 HG LEU 10 HG LEU 10 28.232 31.966 41.315 70 HD11 LEU 10 HD11 LEU 10 30.386 31.023 42.106 71 HD12 LEU 10 HD12 LEU 10 29.399 29.843 41.240 72 HD13 LEU 10 HD13 LEU 10 30.797 30.591 40.434 73 HD21 LEU 10 HD21 LEU 10 30.774 33.067 40.039 74 HD22 LEU 10 HD22 LEU 10 29.269 33.992 40.242 75 HD23 LEU 10 HD23 LEU 10 30.158 33.414 41.660 76 H SER 11 H SER 11 27.856 33.510 36.313 77 HA SER 11 HA SER 11 26.138 31.722 34.735 78 HB2 SER 11 HB2 SER 11 26.583 33.117 32.896 79 HB3 SER 11 HB3 SER 11 26.448 34.207 34.281 80 HG SER 11 HG SER 11 28.643 34.372 34.386 81 H LYS 12 H LYS 12 27.220 31.075 32.503 82 HA LYS 12 HA LYS 12 29.243 29.055 32.929 83 HB2 LYS 12 HB2 LYS 12 27.308 29.004 31.343 84 HB3 LYS 12 HB3 LYS 12 28.086 30.265 30.386 85 HG2 LYS 12 HG2 LYS 12 29.823 28.775 29.670 86 HG3 LYS 12 HG3 LYS 12 29.416 27.582 30.917 87 HD2 LYS 12 HD2 LYS 12 28.645 26.866 28.682 88 HD3 LYS 12 HD3 LYS 12 27.304 27.077 29.812 89 HE2 LYS 12 HE2 LYS 12 26.903 29.371 28.829 90 HE3 LYS 12 HE3 LYS 12 28.177 29.048 27.648 91 HZ1 LYS 12 HZ1 LYS 12 26.059 28.588 26.704 92 HZ2 LYS 12 HZ2 LYS 12 26.804 27.166 26.842 93 HZ3 LYS 12 HZ3 LYS 12 25.642 27.537 27.947 94 H TYR 13 H TYR 13 29.681 32.363 32.800 95 HA TYR 13 HA TYR 13 32.412 32.168 31.626 96 HB2 TYR 13 HB2 TYR 13 30.351 34.292 30.966 97 HB3 TYR 13 HB3 TYR 13 31.996 34.214 30.352 98 HD1 TYR 13 HD1 TYR 13 32.690 32.140 28.961 99 HD2 TYR 13 HD2 TYR 13 28.587 33.211 29.768 100 HE1 TYR 13 HE1 TYR 13 31.937 30.789 26.991 101 HE2 TYR 13 HE2 TYR 13 27.856 31.874 27.807 102 HH TYR 13 HH TYR 13 28.478 30.517 26.098 103 H GLU 14 H GLU 14 31.932 32.208 34.435 104 HA GLU 14 HA GLU 14 32.770 34.931 35.283 105 HB2 GLU 14 HB2 GLU 14 32.422 32.456 37.004 106 HB3 GLU 14 HB3 GLU 14 32.663 34.118 37.534 107 HG2 GLU 14 HG2 GLU 14 30.222 32.869 36.283 108 HG3 GLU 14 HG3 GLU 14 30.371 33.619 37.862 109 H SER 15 H SER 15 34.607 34.465 33.612 110 HA SER 15 HA SER 15 36.954 33.367 35.125 111 HB2 SER 15 HB2 SER 15 37.926 32.646 33.092 112 HB3 SER 15 HB3 SER 15 36.275 32.022 33.152 113 HG SER 15 HG SER 15 37.301 33.298 31.198 114 H ILE 16 H ILE 16 35.700 36.285 33.994 115 HA ILE 16 HA ILE 16 38.059 37.653 34.891 116 HB ILE 16 HB ILE 16 38.720 37.321 32.550 117 HG12 ILE 16 HG12 ILE 16 38.022 40.248 33.024 118 HG13 ILE 16 HG13 ILE 16 39.302 39.394 33.884 119 HG21 ILE 16 HG21 ILE 16 36.280 38.977 31.754 120 HG22 ILE 16 HG22 ILE 16 37.533 38.325 30.677 121 HG23 ILE 16 HG23 ILE 16 36.443 37.225 31.515 122 HD11 ILE 16 HD11 ILE 16 39.196 39.884 30.883 123 HD12 ILE 16 HD12 ILE 16 40.267 40.652 32.062 124 HD13 ILE 16 HD13 ILE 16 40.438 38.918 31.717 125 H ASP 17 H ASP 17 37.562 39.652 35.723 126 HA ASP 17 HA ASP 17 34.756 40.338 36.070 127 HB2 ASP 17 HB2 ASP 17 37.049 42.112 36.908 128 HB3 ASP 17 HB3 ASP 17 35.493 41.861 37.689 129 H GLU 18 H GLU 18 33.594 42.001 35.059 130 HA GLU 18 HA GLU 18 34.560 42.967 32.570 131 HB2 GLU 18 HB2 GLU 18 32.166 43.999 34.136 132 HB3 GLU 18 HB3 GLU 18 32.512 44.247 32.432 133 HG2 GLU 18 HG2 GLU 18 30.976 42.543 32.348 134 HG3 GLU 18 HG3 GLU 18 32.506 41.701 32.145 135 H ASP 19 H ASP 19 35.151 44.294 35.659 136 HA ASP 19 HA ASP 19 35.796 47.016 34.828 137 HB2 ASP 19 HB2 ASP 19 36.801 45.336 37.154 138 HB3 ASP 19 HB3 ASP 19 37.089 47.063 36.940 139 H GLU 20 H GLU 20 37.564 43.945 35.023 140 HA GLU 20 HA GLU 20 40.168 45.218 34.437 141 HB2 GLU 20 HB2 GLU 20 39.765 43.493 36.206 142 HB3 GLU 20 HB3 GLU 20 39.482 42.292 34.947 143 HG2 GLU 20 HG2 GLU 20 41.751 42.328 34.250 144 HG3 GLU 20 HG3 GLU 20 42.037 43.918 34.971 145 H LEU 21 H LEU 21 37.742 43.185 32.878 146 HA LEU 21 HA LEU 21 39.048 42.459 30.490 147 HB2 LEU 21 HB2 LEU 21 36.867 41.620 31.260 148 HB3 LEU 21 HB3 LEU 21 36.170 43.233 31.105 149 HG LEU 21 HG LEU 21 36.374 43.147 28.658 150 HD11 LEU 21 HD11 LEU 21 38.326 41.695 28.375 151 HD12 LEU 21 HD12 LEU 21 37.470 40.337 29.127 152 HD13 LEU 21 HD13 LEU 21 36.940 40.985 27.549 153 HD21 LEU 21 HD21 LEU 21 34.334 42.344 29.742 154 HD22 LEU 21 HD22 LEU 21 34.669 41.407 28.281 155 HD23 LEU 21 HD23 LEU 21 35.017 40.714 29.891 156 H LEU 22 H LEU 22 37.482 45.564 31.289 157 HA LEU 22 HA LEU 22 38.004 46.625 28.567 158 HB2 LEU 22 HB2 LEU 22 36.618 47.882 30.964 159 HB3 LEU 22 HB3 LEU 22 36.678 48.550 29.332 160 HG LEU 22 HG LEU 22 35.276 45.961 30.147 161 HD11 LEU 22 HD11 LEU 22 34.152 48.636 29.218 162 HD12 LEU 22 HD12 LEU 22 33.228 47.189 29.693 163 HD13 LEU 22 HD13 LEU 22 34.186 48.058 30.901 164 HD21 LEU 22 HD21 LEU 22 36.083 45.771 27.833 165 HD22 LEU 22 HD22 LEU 22 34.333 45.986 27.864 166 HD23 LEU 22 HD23 LEU 22 35.386 47.361 27.443 167 H ALA 23 H ALA 23 39.818 46.442 31.386 168 HA ALA 23 HA ALA 23 40.344 49.055 32.054 169 HB1 ALA 23 HB1 ALA 23 40.802 47.139 33.473 170 HB2 ALA 23 HB2 ALA 23 42.092 46.577 32.385 171 HB3 ALA 23 HB3 ALA 23 42.284 48.080 33.298 172 H SER 24 H SER 24 42.063 47.285 29.499 173 HA SER 24 HA SER 24 44.177 49.365 29.444 174 HB2 SER 24 HB2 SER 24 44.724 46.907 29.518 175 HB3 SER 24 HB3 SER 24 44.128 46.795 27.847 176 HG SER 24 HG SER 24 45.605 48.520 27.360 177 H LEU 25 H LEU 25 41.270 49.390 27.991 178 HA LEU 25 HA LEU 25 42.041 49.737 25.191 179 HB2 LEU 25 HB2 LEU 25 39.479 49.991 26.777 180 HB3 LEU 25 HB3 LEU 25 39.586 50.643 25.147 181 HG LEU 25 HG LEU 25 40.104 48.496 24.187 182 HD11 LEU 25 HD11 LEU 25 39.928 46.394 25.498 183 HD12 LEU 25 HD12 LEU 25 41.336 47.343 25.955 184 HD13 LEU 25 HD13 LEU 25 39.893 47.341 27.000 185 HD21 LEU 25 HD21 LEU 25 37.747 49.166 24.525 186 HD22 LEU 25 HD22 LEU 25 37.952 47.409 24.609 187 HD23 LEU 25 HD23 LEU 25 37.740 48.344 26.105 188 H SER 26 H SER 26 42.017 51.551 23.946 189 HA SER 26 HA SER 26 42.685 54.120 25.201 190 HB2 SER 26 HB2 SER 26 42.930 54.901 22.896 191 HB3 SER 26 HB3 SER 26 43.799 53.376 23.149 192 HG SER 26 HG SER 26 42.228 52.277 22.082 193 H ALA 27 H ALA 27 41.573 56.151 24.684 194 HA ALA 27 HA ALA 27 38.855 56.114 25.375 195 HB1 ALA 27 HB1 ALA 27 38.952 58.533 24.935 196 HB2 ALA 27 HB2 ALA 27 40.425 57.987 25.758 197 HB3 ALA 27 HB3 ALA 27 40.453 58.324 24.011 198 H GLU 28 H GLU 28 40.235 56.190 22.082 199 HA GLU 28 HA GLU 28 37.620 56.573 20.802 200 HB2 GLU 28 HB2 GLU 28 39.815 57.424 19.891 201 HB3 GLU 28 HB3 GLU 28 40.276 55.755 19.589 202 HG2 GLU 28 HG2 GLU 28 39.503 56.789 17.555 203 HG3 GLU 28 HG3 GLU 28 38.382 55.506 18.005 204 H GLU 29 H GLU 29 39.627 53.783 21.765 205 HA GLU 29 HA GLU 29 38.054 51.790 20.335 206 HB2 GLU 29 HB2 GLU 29 39.947 51.729 22.693 207 HB3 GLU 29 HB3 GLU 29 38.988 50.330 22.283 208 HG2 GLU 29 HG2 GLU 29 39.959 50.235 20.022 209 HG3 GLU 29 HG3 GLU 29 40.908 51.675 20.343 210 H LEU 30 H LEU 30 37.894 53.135 23.680 211 HA LEU 30 HA LEU 30 35.663 51.544 24.499 212 HB2 LEU 30 HB2 LEU 30 36.638 54.297 25.356 213 HB3 LEU 30 HB3 LEU 30 35.315 53.463 26.168 214 HG LEU 30 HG LEU 30 38.105 52.263 25.903 215 HD11 LEU 30 HD11 LEU 30 38.232 54.346 27.182 216 HD12 LEU 30 HD12 LEU 30 36.893 53.810 28.227 217 HD13 LEU 30 HD13 LEU 30 38.451 52.945 28.234 218 HD21 LEU 30 HD21 LEU 30 37.354 50.841 27.793 219 HD22 LEU 30 HD22 LEU 30 35.742 51.586 27.713 220 HD23 LEU 30 HD23 LEU 30 36.345 50.597 26.366 221 H LYS 31 H LYS 31 35.732 54.622 22.734 222 HA LYS 31 HA LYS 31 32.884 55.093 22.647 223 HB2 LYS 31 HB2 LYS 31 34.683 56.749 22.124 224 HB3 LYS 31 HB3 LYS 31 35.087 55.838 20.667 225 HG2 LYS 31 HG2 LYS 31 32.704 56.250 19.857 226 HG3 LYS 31 HG3 LYS 31 32.492 57.338 21.237 227 HD2 LYS 31 HD2 LYS 31 34.593 57.593 19.035 228 HD3 LYS 31 HD3 LYS 31 33.099 58.531 19.124 229 HE2 LYS 31 HE2 LYS 31 33.825 59.672 21.138 230 HE3 LYS 31 HE3 LYS 31 35.195 58.568 21.330 231 HZ1 LYS 31 HZ1 LYS 31 36.022 60.549 20.393 232 HZ2 LYS 31 HZ2 LYS 31 36.112 59.403 19.263 233 HZ3 LYS 31 HZ3 LYS 31 34.938 60.560 19.145 234 H GLU 32 H GLU 32 35.056 53.489 20.290 235 HA GLU 32 HA GLU 32 32.916 52.704 18.544 236 HB2 GLU 32 HB2 GLU 32 35.225 53.109 17.839 237 HB3 GLU 32 HB3 GLU 32 35.807 51.779 18.830 238 HG2 GLU 32 HG2 GLU 32 35.708 51.274 16.399 239 HG3 GLU 32 HG3 GLU 32 34.816 50.150 17.417 240 H LEU 33 H LEU 33 34.330 51.082 21.351 241 HA LEU 33 HA LEU 33 32.948 48.574 20.891 242 HB2 LEU 33 HB2 LEU 33 35.083 48.825 22.165 243 HB3 LEU 33 HB3 LEU 33 34.204 49.717 23.411 244 HG LEU 33 HG LEU 33 32.821 47.675 23.867 245 HD11 LEU 33 HD11 LEU 33 32.845 46.495 21.776 246 HD12 LEU 33 HD12 LEU 33 34.628 46.434 21.760 247 HD13 LEU 33 HD13 LEU 33 33.715 45.486 22.940 248 HD21 LEU 33 HD21 LEU 33 34.986 48.140 25.076 249 HD22 LEU 33 HD22 LEU 33 34.528 46.428 25.010 250 HD23 LEU 33 HD23 LEU 33 35.787 47.050 23.926 251 H GLU 34 H GLU 34 32.153 51.557 22.773 252 HA GLU 34 HA GLU 34 29.674 50.441 23.790 253 HB2 GLU 34 HB2 GLU 34 30.804 52.443 24.756 254 HB3 GLU 34 HB3 GLU 34 30.343 53.376 23.321 255 HG2 GLU 34 HG2 GLU 34 27.954 52.951 23.809 256 HG3 GLU 34 HG3 GLU 34 28.399 51.922 25.175 257 H ARG 35 H ARG 35 30.513 52.138 20.741 258 HA ARG 35 HA ARG 35 27.860 52.276 19.683 259 HB2 ARG 35 HB2 ARG 35 30.053 53.325 18.785 260 HB3 ARG 35 HB3 ARG 35 30.365 51.744 18.050 261 HG2 ARG 35 HG2 ARG 35 28.040 51.992 16.920 262 HG3 ARG 35 HG3 ARG 35 28.026 53.641 17.537 263 HD2 ARG 35 HD2 ARG 35 28.805 53.694 15.242 264 HD3 ARG 35 HD3 ARG 35 30.155 54.089 16.307 265 HE ARG 35 HE ARG 35 31.289 52.244 15.564 266 HH11 ARG 35 HH11 ARG 35 27.921 51.728 14.556 267 HH12 ARG 35 HH12 ARG 35 28.291 50.087 14.035 268 HH21 ARG 35 HH21 ARG 35 31.636 50.308 14.709 269 HH22 ARG 35 HH22 ARG 35 30.333 49.312 14.072 270 H GLU 36 H GLU 36 30.070 49.516 19.837 271 HA GLU 36 HA GLU 36 28.687 47.772 18.052 272 HB2 GLU 36 HB2 GLU 36 30.986 47.440 19.170 273 HB3 GLU 36 HB3 GLU 36 30.108 46.951 20.612 274 HG2 GLU 36 HG2 GLU 36 30.715 44.949 19.554 275 HG3 GLU 36 HG3 GLU 36 29.004 45.111 19.256 276 H LEU 37 H LEU 37 27.800 48.790 21.318 277 HA LEU 37 HA LEU 37 26.120 46.583 22.003 278 HB2 LEU 37 HB2 LEU 37 25.822 49.484 22.832 279 HB3 LEU 37 HB3 LEU 37 25.141 48.078 23.649 280 HG LEU 37 HG LEU 37 28.110 48.756 23.438 281 HD11 LEU 37 HD11 LEU 37 26.748 50.172 24.970 282 HD12 LEU 37 HD12 LEU 37 26.248 48.704 25.841 283 HD13 LEU 37 HD13 LEU 37 27.958 49.193 25.809 284 HD21 LEU 37 HD21 LEU 37 27.903 46.343 23.475 285 HD22 LEU 37 HD22 LEU 37 28.451 46.910 25.051 286 HD23 LEU 37 HD23 LEU 37 26.755 46.430 24.826 287 H GLU 38 H GLU 38 25.565 49.308 19.831 288 HA GLU 38 HA GLU 38 22.697 48.948 19.609 289 HB2 GLU 38 HB2 GLU 38 24.633 50.106 17.551 290 HB3 GLU 38 HB3 GLU 38 22.869 50.239 17.573 291 HG2 GLU 38 HG2 GLU 38 23.109 51.377 19.858 292 HG3 GLU 38 HG3 GLU 38 24.845 51.480 19.534 293 H ASP 39 H ASP 39 25.510 47.565 17.859 294 HA ASP 39 HA ASP 39 23.886 46.098 15.980 295 HB2 ASP 39 HB2 ASP 39 26.384 46.864 15.799 296 HB3 ASP 39 HB3 ASP 39 26.743 45.361 16.652 297 H ILE 40 H ILE 40 25.438 45.303 19.082 298 HA ILE 40 HA ILE 40 24.833 42.515 19.160 299 HB ILE 40 HB ILE 40 25.345 44.621 21.259 300 HG12 ILE 40 HG12 ILE 40 27.048 42.201 20.594 301 HG13 ILE 40 HG13 ILE 40 27.123 43.641 19.572 302 HG21 ILE 40 HG21 ILE 40 24.985 41.656 21.808 303 HG22 ILE 40 HG22 ILE 40 25.669 42.829 22.951 304 HG23 ILE 40 HG23 ILE 40 23.986 42.979 22.446 305 HD11 ILE 40 HD11 ILE 40 28.900 43.657 21.238 306 HD12 ILE 40 HD12 ILE 40 27.806 45.021 21.470 307 HD13 ILE 40 HD13 ILE 40 27.718 43.635 22.567 308 H GLU 41 H GLU 41 22.717 45.271 20.069 309 HA GLU 41 HA GLU 41 20.674 43.509 21.179 310 HB2 GLU 41 HB2 GLU 41 21.113 45.796 21.993 311 HB3 GLU 41 HB3 GLU 41 20.555 46.453 20.456 312 HG2 GLU 41 HG2 GLU 41 18.816 46.607 22.179 313 HG3 GLU 41 HG3 GLU 41 18.302 45.587 20.845 314 H1 GLY 0 H1 GLY 0 28.160 54.789 29.291 315 H2 GLY 0 H2 GLY 0 28.361 54.721 27.651 316 H3 GLY 0 H3 GLY 0 28.358 56.180 28.432 317 HA2 GLY 0 HA2 GLY 0 30.594 55.522 27.822 318 HA3 GLY 0 HA3 GLY 0 30.376 55.633 29.592 319 H MET 1 H MET 1 32.296 54.156 29.575 320 HA MET 1 HA MET 1 32.128 51.453 28.701 321 HB2 MET 1 HB2 MET 1 33.905 50.957 30.224 322 HB3 MET 1 HB3 MET 1 34.219 52.530 29.494 323 HG2 MET 1 HG2 MET 1 33.706 53.684 31.530 324 HG3 MET 1 HG3 MET 1 32.907 52.276 32.225 325 HE1 MET 1 HE1 MET 1 37.486 52.784 31.927 326 HE2 MET 1 HE2 MET 1 36.504 52.578 30.463 327 HE3 MET 1 HE3 MET 1 36.296 54.025 31.481 328 H ASP 2 H ASP 2 30.464 52.962 31.345 329 HA ASP 2 HA ASP 2 29.833 50.687 32.975 330 HB2 ASP 2 HB2 ASP 2 28.176 52.168 33.908 331 HB3 ASP 2 HB3 ASP 2 29.653 53.089 33.644 332 H ALA 3 H ALA 3 28.381 52.042 29.992 333 HA ALA 3 HA ALA 3 26.019 50.349 29.999 334 HB1 ALA 3 HB1 ALA 3 26.175 52.481 28.742 335 HB2 ALA 3 HB2 ALA 3 27.441 51.777 27.704 336 HB3 ALA 3 HB3 ALA 3 25.804 51.110 27.681 337 H ILE 4 H ILE 4 29.313 50.058 28.659 338 HA ILE 4 HA ILE 4 28.900 47.553 27.293 339 HB ILE 4 HB ILE 4 31.504 48.600 28.458 340 HG12 ILE 4 HG12 ILE 4 30.437 49.109 25.650 341 HG13 ILE 4 HG13 ILE 4 30.406 50.306 26.948 342 HG21 ILE 4 HG21 ILE 4 31.546 46.214 27.767 343 HG22 ILE 4 HG22 ILE 4 30.955 46.678 26.161 344 HG23 ILE 4 HG23 ILE 4 32.556 47.199 26.716 345 HD11 ILE 4 HD11 ILE 4 32.920 50.118 27.122 346 HD12 ILE 4 HD12 ILE 4 32.878 49.148 25.641 347 HD13 ILE 4 HD13 ILE 4 32.302 50.813 25.614 348 H LYS 5 H LYS 5 30.179 48.309 30.569 349 HA LYS 5 HA LYS 5 30.409 45.633 31.535 350 HB2 LYS 5 HB2 LYS 5 29.740 48.212 33.023 351 HB3 LYS 5 HB3 LYS 5 30.106 46.672 33.810 352 HG2 LYS 5 HG2 LYS 5 32.350 46.641 32.787 353 HG3 LYS 5 HG3 LYS 5 32.015 48.163 31.964 354 HD2 LYS 5 HD2 LYS 5 31.690 49.265 34.210 355 HD3 LYS 5 HD3 LYS 5 32.166 47.728 34.970 356 HE2 LYS 5 HE2 LYS 5 34.312 47.831 33.636 357 HE3 LYS 5 HE3 LYS 5 33.861 49.457 33.103 358 HZ1 LYS 5 HZ1 LYS 5 34.215 48.617 35.929 359 HZ2 LYS 5 HZ2 LYS 5 35.338 49.435 35.074 360 HZ3 LYS 5 HZ3 LYS 5 33.925 50.166 35.451 361 H LYS 6 H LYS 6 27.578 47.842 31.835 362 HA LYS 6 HA LYS 6 25.831 45.953 33.050 363 HB2 LYS 6 HB2 LYS 6 25.348 48.423 31.351 364 HB3 LYS 6 HB3 LYS 6 24.011 47.417 31.900 365 HG2 LYS 6 HG2 LYS 6 24.657 47.690 34.243 366 HG3 LYS 6 HG3 LYS 6 26.027 48.711 33.790 367 HD2 LYS 6 HD2 LYS 6 23.139 49.349 33.046 368 HD3 LYS 6 HD3 LYS 6 23.862 49.909 34.546 369 HE2 LYS 6 HE2 LYS 6 25.333 50.464 31.966 370 HE3 LYS 6 HE3 LYS 6 23.856 51.375 32.307 371 HZ1 LYS 6 HZ1 LYS 6 25.865 52.488 33.165 372 HZ2 LYS 6 HZ2 LYS 6 24.722 52.175 34.288 373 HZ3 LYS 6 HZ3 LYS 6 26.069 51.237 34.251 374 H LYS 7 H LYS 7 26.139 46.611 29.477 375 HA LYS 7 HA LYS 7 24.180 44.608 28.871 376 HB2 LYS 7 HB2 LYS 7 24.801 46.451 27.339 377 HB3 LYS 7 HB3 LYS 7 26.369 45.693 27.066 378 HG2 LYS 7 HG2 LYS 7 24.730 45.286 25.236 379 HG3 LYS 7 HG3 LYS 7 25.327 43.789 25.950 380 HD2 LYS 7 HD2 LYS 7 23.243 43.436 27.141 381 HD3 LYS 7 HD3 LYS 7 22.666 45.063 26.719 382 HE2 LYS 7 HE2 LYS 7 22.619 44.455 24.339 383 HE3 LYS 7 HE3 LYS 7 23.234 42.835 24.702 384 HZ1 LYS 7 HZ1 LYS 7 20.730 43.775 25.956 385 HZ2 LYS 7 HZ2 LYS 7 20.685 43.276 24.440 386 HZ3 LYS 7 HZ3 LYS 7 21.148 42.224 25.595 387 H MET 8 H MET 8 27.747 44.317 29.134 388 HA MET 8 HA MET 8 27.894 41.567 28.354 389 HB2 MET 8 HB2 MET 8 29.834 43.084 28.565 390 HB3 MET 8 HB3 MET 8 29.599 43.160 30.311 391 HG2 MET 8 HG2 MET 8 31.384 41.646 29.846 392 HG3 MET 8 HG3 MET 8 30.029 40.697 30.452 393 HE1 MET 8 HE1 MET 8 31.437 38.561 29.588 394 HE2 MET 8 HE2 MET 8 31.978 38.355 27.907 395 HE3 MET 8 HE3 MET 8 32.693 39.629 28.921 396 H GLN 9 H GLN 9 27.480 43.006 31.637 397 HA GLN 9 HA GLN 9 27.189 40.491 32.993 398 HB2 GLN 9 HB2 GLN 9 26.424 43.346 33.697 399 HB3 GLN 9 HB3 GLN 9 26.269 41.995 34.830 400 HG2 GLN 9 HG2 GLN 9 28.625 41.543 34.808 401 HG3 GLN 9 HG3 GLN 9 28.914 42.652 33.475 402 HE21 GLN 9 HE21 GLN 9 29.977 44.372 36.575 403 HE22 GLN 9 HE22 GLN 9 30.465 42.898 35.725 404 H MET 10 H MET 10 24.784 42.590 31.420 405 HA MET 10 HA MET 10 22.454 41.116 32.251 406 HB2 MET 10 HB2 MET 10 22.256 43.363 31.499 407 HB3 MET 10 HB3 MET 10 23.045 43.022 29.962 408 HG2 MET 10 HG2 MET 10 20.461 41.639 30.669 409 HG3 MET 10 HG3 MET 10 20.453 43.302 30.094 410 HE1 MET 10 HE1 MET 10 20.229 39.796 29.286 411 HE2 MET 10 HE2 MET 10 18.943 40.753 28.531 412 HE3 MET 10 HE3 MET 10 20.063 39.803 27.521 413 H LEU 11 H LEU 11 24.501 40.853 29.265 414 HA LEU 11 HA LEU 11 23.049 38.654 28.148 415 HB2 LEU 11 HB2 LEU 11 25.929 39.587 27.875 416 HB3 LEU 11 HB3 LEU 11 25.286 38.233 26.951 417 HG LEU 11 HG LEU 11 23.996 40.988 26.835 418 HD11 LEU 11 HD11 LEU 11 25.256 41.342 24.755 419 HD12 LEU 11 HD12 LEU 11 26.352 41.184 26.136 420 HD13 LEU 11 HD13 LEU 11 26.140 39.824 25.009 421 HD21 LEU 11 HD21 LEU 11 23.923 38.589 24.958 422 HD22 LEU 11 HD22 LEU 11 22.598 39.132 26.007 423 HD23 LEU 11 HD23 LEU 11 23.139 40.154 24.671 424 H LYS 12 H LYS 12 25.802 38.671 30.446 425 HA LYS 12 HA LYS 12 26.004 35.809 30.721 426 HB2 LYS 12 HB2 LYS 12 26.729 38.133 32.545 427 HB3 LYS 12 HB3 LYS 12 27.013 36.447 32.997 428 HG2 LYS 12 HG2 LYS 12 28.463 36.082 31.083 429 HG3 LYS 12 HG3 LYS 12 28.087 37.671 30.420 430 HD2 LYS 12 HD2 LYS 12 30.283 37.707 31.431 431 HD3 LYS 12 HD3 LYS 12 29.193 38.771 32.328 432 HE2 LYS 12 HE2 LYS 12 28.928 37.054 34.083 433 HE3 LYS 12 HE3 LYS 12 29.916 35.918 33.166 434 HZ1 LYS 12 HZ1 LYS 12 31.049 37.150 34.979 435 HZ2 LYS 12 HZ2 LYS 12 31.817 37.257 33.538 436 HZ3 LYS 12 HZ3 LYS 12 30.945 38.547 34.088 437 H LEU 13 H LEU 13 23.792 38.113 32.323 438 HA LEU 13 HA LEU 13 22.668 36.099 34.082 439 HB2 LEU 13 HB2 LEU 13 22.622 38.480 34.633 440 HB3 LEU 13 HB3 LEU 13 21.656 38.826 33.201 441 HG LEU 13 HG LEU 13 19.766 37.526 34.120 442 HD11 LEU 13 HD11 LEU 13 19.808 36.838 36.517 443 HD12 LEU 13 HD12 LEU 13 20.928 35.893 35.542 444 HD13 LEU 13 HD13 LEU 13 21.547 37.200 36.581 445 HD21 LEU 13 HD21 LEU 13 19.176 39.088 35.917 446 HD22 LEU 13 HD22 LEU 13 20.874 39.609 36.046 447 HD23 LEU 13 HD23 LEU 13 19.943 39.937 34.571 448 H ASP 14 H ASP 14 21.672 37.368 30.860 449 HA ASP 14 HA ASP 14 19.311 35.757 30.571 450 HB2 ASP 14 HB2 ASP 14 19.918 37.698 29.193 451 HB3 ASP 14 HB3 ASP 14 21.269 36.813 28.487 452 H ASN 15 H ASN 15 22.719 35.118 29.672 453 HA ASN 15 HA ASN 15 22.426 32.461 28.700 454 HB2 ASN 15 HB2 ASN 15 24.422 34.036 28.556 455 HB3 ASN 15 HB3 ASN 15 24.783 33.655 30.238 456 HD21 ASN 15 HD21 ASN 15 25.688 31.092 27.189 457 HD22 ASN 15 HD22 ASN 15 24.431 32.304 26.982 458 H TYR 16 H TYR 16 22.995 33.626 32.081 459 HA TYR 16 HA TYR 16 22.988 31.053 33.307 460 HB2 TYR 16 HB2 TYR 16 23.813 33.078 34.401 461 HB3 TYR 16 HB3 TYR 16 22.205 33.776 34.403 462 HD1 TYR 16 HD1 TYR 16 20.647 33.311 36.178 463 HD2 TYR 16 HD2 TYR 16 24.255 30.979 35.783 464 HE1 TYR 16 HE1 TYR 16 20.296 32.369 38.458 465 HE2 TYR 16 HE2 TYR 16 23.907 30.049 38.050 466 HH TYR 16 HH TYR 16 21.008 30.776 39.999 467 H HIS 17 H HIS 17 20.193 33.289 32.708 468 HA HIS 17 HA HIS 17 18.222 31.567 33.898 469 HB2 HIS 17 HB2 HIS 17 18.043 33.727 31.774 470 HB3 HIS 17 HB3 HIS 17 16.637 32.819 32.332 471 HD2 HIS 17 HD2 HIS 17 18.078 36.026 32.998 472 HE1 HIS 17 HE1 HIS 17 16.552 34.861 36.809 473 HE2 HIS 17 HE2 HIS 17 17.329 36.837 35.410 474 H LEU 18 H LEU 18 19.487 31.675 30.548 475 HA LEU 18 HA LEU 18 17.760 29.577 29.564 476 HB2 LEU 18 HB2 LEU 18 20.406 30.734 28.627 477 HB3 LEU 18 HB3 LEU 18 19.541 29.485 27.736 478 HG LEU 18 HG LEU 18 18.236 32.139 28.441 479 HD11 LEU 18 HD11 LEU 18 20.265 32.554 27.104 480 HD12 LEU 18 HD12 LEU 18 19.683 31.400 25.873 481 HD13 LEU 18 HD13 LEU 18 18.789 32.906 26.198 482 HD21 LEU 18 HD21 LEU 18 16.675 30.337 27.785 483 HD22 LEU 18 HD22 LEU 18 16.771 31.580 26.529 484 HD23 LEU 18 HD23 LEU 18 17.628 30.042 26.311 485 H GLU 19 H GLU 19 21.118 29.448 30.898 486 HA GLU 19 HA GLU 19 21.410 26.605 30.702 487 HB2 GLU 19 HB2 GLU 19 22.531 28.651 32.642 488 HB3 GLU 19 HB3 GLU 19 23.011 26.967 32.676 489 HG2 GLU 19 HG2 GLU 19 23.236 28.551 30.084 490 HG3 GLU 19 HG3 GLU 19 24.423 28.775 31.363 491 H ASN 20 H ASN 20 19.821 28.594 33.225 492 HA ASN 20 HA ASN 20 19.159 26.370 34.970 493 HB2 ASN 20 HB2 ASN 20 18.248 29.250 34.694 494 HB3 ASN 20 HB3 ASN 20 17.337 28.136 35.703 495 HD21 ASN 20 HD21 ASN 20 21.004 29.335 37.005 496 HD22 ASN 20 HD22 ASN 20 20.608 29.530 35.302 497 H GLU 21 H GLU 21 17.507 27.777 32.137 498 HA GLU 21 HA GLU 21 15.106 26.165 32.474 499 HB2 GLU 21 HB2 GLU 21 15.108 28.329 31.301 500 HB3 GLU 21 HB3 GLU 21 16.237 27.698 30.110 501 HG2 GLU 21 HG2 GLU 21 14.127 27.734 29.083 502 HG3 GLU 21 HG3 GLU 21 14.502 26.044 29.381 503 H VAL 22 H VAL 22 18.074 25.816 30.453 504 HA VAL 22 HA VAL 22 17.394 23.248 29.354 505 HB VAL 22 HB VAL 22 20.087 24.543 29.921 506 HG11 VAL 22 HG11 VAL 22 20.491 22.132 29.872 507 HG12 VAL 22 HG12 VAL 22 19.502 21.965 28.398 508 HG13 VAL 22 HG13 VAL 22 21.044 22.849 28.358 509 HG21 VAL 22 HG21 VAL 22 18.510 24.075 27.342 510 HG22 VAL 22 HG22 VAL 22 18.725 25.634 28.167 511 HG23 VAL 22 HG23 VAL 22 20.116 24.822 27.453 512 H ALA 23 H ALA 23 19.072 24.089 32.443 513 HA ALA 23 HA ALA 23 19.472 21.411 33.298 514 HB1 ALA 23 HB1 ALA 23 19.689 22.416 35.549 515 HB2 ALA 23 HB2 ALA 23 20.560 23.363 34.326 516 HB3 ALA 23 HB3 ALA 23 18.994 23.934 34.944 517 H ARG 24 H ARG 24 16.600 23.543 33.798 518 HA ARG 24 HA ARG 24 15.015 21.687 35.305 519 HB2 ARG 24 HB2 ARG 24 14.430 24.075 35.026 520 HB3 ARG 24 HB3 ARG 24 14.137 23.823 33.302 521 HG2 ARG 24 HG2 ARG 24 12.308 22.190 33.883 522 HG3 ARG 24 HG3 ARG 24 12.618 22.518 35.590 523 HD2 ARG 24 HD2 ARG 24 10.724 23.800 34.972 524 HD3 ARG 24 HD3 ARG 24 12.057 24.940 35.145 525 HE ARG 24 HE ARG 24 12.073 25.319 32.800 526 HH11 ARG 24 HH11 ARG 24 9.492 22.980 33.484 527 HH12 ARG 24 HH12 ARG 24 8.737 23.319 31.938 528 HH21 ARG 24 HH21 ARG 24 10.985 25.708 30.984 529 HH22 ARG 24 HH22 ARG 24 9.493 24.798 30.649 530 H LEU 25 H LEU 25 15.113 22.226 31.772 531 HA LEU 25 HA LEU 25 13.222 20.150 31.213 532 HB2 LEU 25 HB2 LEU 25 15.291 21.538 29.476 533 HB3 LEU 25 HB3 LEU 25 14.026 20.474 28.854 534 HG LEU 25 HG LEU 25 13.336 22.927 30.523 535 HD11 LEU 25 HD11 LEU 25 14.673 23.628 28.580 536 HD12 LEU 25 HD12 LEU 25 13.569 22.747 27.498 537 HD13 LEU 25 HD13 LEU 25 12.987 24.128 28.466 538 HD21 LEU 25 HD21 LEU 25 11.540 21.241 30.244 539 HD22 LEU 25 HD22 LEU 25 11.178 22.741 29.394 540 HD23 LEU 25 HD23 LEU 25 11.745 21.320 28.480 541 H LYS 26 H LYS 26 16.820 20.031 31.181 542 HA LYS 26 HA LYS 26 17.059 17.273 30.401 543 HB2 LYS 26 HB2 LYS 26 18.764 19.096 32.152 544 HB3 LYS 26 HB3 LYS 26 19.177 17.399 31.876 545 HG2 LYS 26 HG2 LYS 26 19.266 17.753 29.448 546 HG3 LYS 26 HG3 LYS 26 18.851 19.464 29.655 547 HD2 LYS 26 HD2 LYS 26 20.907 19.850 30.947 548 HD3 LYS 26 HD3 LYS 26 21.291 18.117 30.898 549 HE2 LYS 26 HE2 LYS 26 21.445 18.207 28.427 550 HE3 LYS 26 HE3 LYS 26 21.086 19.937 28.456 551 HZ1 LYS 26 HZ1 LYS 26 23.149 20.295 29.669 552 HZ2 LYS 26 HZ2 LYS 26 23.445 18.701 29.793 553 HZ3 LYS 26 HZ3 LYS 26 23.479 19.443 28.316 554 H LYS 27 H LYS 27 16.592 18.684 33.703 555 HA LYS 27 HA LYS 27 16.596 16.102 34.934 556 HB2 LYS 27 HB2 LYS 27 16.987 18.194 36.189 557 HB3 LYS 27 HB3 LYS 27 15.316 18.691 35.917 558 HG2 LYS 27 HG2 LYS 27 15.671 17.760 38.185 559 HG3 LYS 27 HG3 LYS 27 14.482 16.830 37.270 560 HD2 LYS 27 HD2 LYS 27 16.229 15.117 36.759 561 HD3 LYS 27 HD3 LYS 27 17.411 16.063 37.677 562 HE2 LYS 27 HE2 LYS 27 15.985 15.746 39.712 563 HE3 LYS 27 HE3 LYS 27 14.831 14.812 38.725 564 HZ1 LYS 27 HZ1 LYS 27 17.650 14.105 39.295 565 HZ2 LYS 27 HZ2 LYS 27 16.296 13.260 39.771 566 HZ3 LYS 27 HZ3 LYS 27 16.758 13.336 38.182 567 H LEU 28 H LEU 28 13.864 18.014 33.640 568 HA LEU 28 HA LEU 28 11.822 16.163 34.424 569 HB2 LEU 28 HB2 LEU 28 11.976 18.165 32.143 570 HB3 LEU 28 HB3 LEU 28 10.514 17.268 32.550 571 HG LEU 28 HG LEU 28 11.899 19.080 34.564 572 HD11 LEU 28 HD11 LEU 28 9.561 19.697 32.711 573 HD12 LEU 28 HD12 LEU 28 10.164 20.734 34.024 574 HD13 LEU 28 HD13 LEU 28 11.189 20.406 32.613 575 HD21 LEU 28 HD21 LEU 28 9.692 19.035 35.668 576 HD22 LEU 28 HD22 LEU 28 9.087 17.911 34.435 577 HD23 LEU 28 HD23 LEU 28 10.372 17.410 35.553 578 H VAL 29 H VAL 29 14.106 15.933 31.754 579 HA VAL 29 HA VAL 29 12.751 13.667 30.486 580 HB VAL 29 HB VAL 29 15.429 15.019 30.084 581 HG11 VAL 29 HG11 VAL 29 15.618 13.777 27.925 582 HG12 VAL 29 HG12 VAL 29 15.893 12.769 29.337 583 HG13 VAL 29 HG13 VAL 29 14.331 12.681 28.484 584 HG21 VAL 29 HG21 VAL 29 14.404 15.779 28.003 585 HG22 VAL 29 HG22 VAL 29 12.949 14.804 28.320 586 HG23 VAL 29 HG23 VAL 29 13.338 16.200 29.339 587 H GLY 30 H GLY 30 14.025 13.751 33.481 588 HA2 GLY 30 HA2 GLY 30 14.110 11.898 34.884 589 HA3 GLY 30 HA3 GLY 30 14.309 10.818 33.507 590 H GLU 31 H GLU 31 16.495 13.471 33.520 591 HA GLU 31 HA GLU 31 18.847 11.843 34.004 592 HB2 GLU 31 HB2 GLU 31 18.432 14.843 33.763 593 HB3 GLU 31 HB3 GLU 31 20.005 14.080 33.817 594 HG2 GLU 31 HG2 GLU 31 17.909 13.483 31.663 595 HG3 GLU 31 HG3 GLU 31 19.201 14.666 31.512 596 H ARG 32 H ARG 32 20.567 13.146 35.566 597 HA ARG 32 HA ARG 32 19.592 12.504 38.264 598 HB2 ARG 32 HB2 ARG 32 21.719 11.641 37.218 599 HB3 ARG 32 HB3 ARG 32 22.410 13.253 37.418 600 HG2 ARG 32 HG2 ARG 32 22.233 13.128 39.824 601 HG3 ARG 32 HG3 ARG 32 21.190 11.699 39.750 602 HD2 ARG 32 HD2 ARG 32 24.093 11.761 38.838 603 HD3 ARG 32 HD3 ARG 32 23.536 11.168 40.414 604 HE ARG 32 HE ARG 32 22.013 9.733 38.591 605 HH11 ARG 32 HH11 ARG 32 25.526 10.043 38.870 606 HH12 ARG 32 HH12 ARG 32 25.737 8.483 38.100 607 HH21 ARG 32 HH21 ARG 32 22.421 7.778 37.787 608 HH22 ARG 32 HH22 ARG 32 24.052 7.354 37.316 609 H1 GLY 0 H1 GLY 0 42.351 45.960 18.680 610 H2 GLY 0 H2 GLY 0 42.217 44.379 19.029 611 H3 GLY 0 H3 GLY 0 43.682 45.127 19.189 612 HA2 GLY 0 HA2 GLY 0 42.957 44.948 21.362 613 HA3 GLY 0 HA3 GLY 0 42.564 46.617 20.903 614 H MET 1 H MET 1 40.445 47.232 21.018 615 HA MET 1 HA MET 1 38.558 45.710 22.418 616 HB2 MET 1 HB2 MET 1 36.977 47.480 21.914 617 HB3 MET 1 HB3 MET 1 38.573 48.135 22.251 618 HG2 MET 1 HG2 MET 1 37.806 49.409 20.465 619 HG3 MET 1 HG3 MET 1 38.918 48.269 19.722 620 HE1 MET 1 HE1 MET 1 37.478 49.817 17.754 621 HE2 MET 1 HE2 MET 1 38.324 48.314 17.323 622 HE3 MET 1 HE3 MET 1 36.683 48.617 16.710 623 H ASP 2 H ASP 2 39.158 45.400 19.022 624 HA ASP 2 HA ASP 2 36.569 44.584 18.094 625 HB2 ASP 2 HB2 ASP 2 38.045 43.472 16.269 626 HB3 ASP 2 HB3 ASP 2 37.941 45.216 16.394 627 H ALA 3 H ALA 3 39.258 42.786 19.596 628 HA ALA 3 HA ALA 3 38.053 40.186 19.343 629 HB1 ALA 3 HB1 ALA 3 39.899 41.294 21.496 630 HB2 ALA 3 HB2 ALA 3 39.599 39.579 21.151 631 HB3 ALA 3 HB3 ALA 3 40.422 40.590 19.948 632 H ILE 4 H ILE 4 37.419 42.857 21.596 633 HA ILE 4 HA ILE 4 35.765 41.226 23.400 634 HB ILE 4 HB ILE 4 36.111 44.244 23.349 635 HG12 ILE 4 HG12 ILE 4 37.576 42.098 24.953 636 HG13 ILE 4 HG13 ILE 4 38.280 43.143 23.716 637 HG21 ILE 4 HG21 ILE 4 35.199 44.143 25.642 638 HG22 ILE 4 HG22 ILE 4 34.043 43.471 24.511 639 HG23 ILE 4 HG23 ILE 4 35.026 42.382 25.510 640 HD11 ILE 4 HD11 ILE 4 38.952 44.012 25.816 641 HD12 ILE 4 HD12 ILE 4 37.738 45.132 25.166 642 HD13 ILE 4 HD13 ILE 4 37.309 43.989 26.462 643 H LYS 5 H LYS 5 35.226 43.586 20.743 644 HA LYS 5 HA LYS 5 32.382 43.615 20.689 645 HB2 LYS 5 HB2 LYS 5 34.340 43.471 18.342 646 HB3 LYS 5 HB3 LYS 5 32.615 43.731 18.202 647 HG2 LYS 5 HG2 LYS 5 32.851 45.821 19.554 648 HG3 LYS 5 HG3 LYS 5 34.611 45.614 19.524 649 HD2 LYS 5 HD2 LYS 5 34.691 45.839 17.130 650 HD3 LYS 5 HD3 LYS 5 32.954 45.587 16.976 651 HE2 LYS 5 HE2 LYS 5 33.042 47.811 18.629 652 HE3 LYS 5 HE3 LYS 5 34.449 48.068 17.601 653 HZ1 LYS 5 HZ1 LYS 5 31.662 47.591 16.697 654 HZ2 LYS 5 HZ2 LYS 5 32.521 49.008 16.559 655 HZ3 LYS 5 HZ3 LYS 5 32.935 47.724 15.673 656 H LYS 6 H LYS 6 34.536 41.293 19.019 657 HA LYS 6 HA LYS 6 32.439 39.562 18.204 658 HB2 LYS 6 HB2 LYS 6 34.918 39.719 17.405 659 HB3 LYS 6 HB3 LYS 6 35.293 38.652 18.753 660 HG2 LYS 6 HG2 LYS 6 35.059 37.308 16.786 661 HG3 LYS 6 HG3 LYS 6 33.644 36.976 17.793 662 HD2 LYS 6 HD2 LYS 6 32.271 38.485 16.357 663 HD3 LYS 6 HD3 LYS 6 33.713 38.890 15.403 664 HE2 LYS 6 HE2 LYS 6 33.931 36.506 14.743 665 HE3 LYS 6 HE3 LYS 6 32.506 36.103 15.712 666 HZ1 LYS 6 HZ1 LYS 6 32.542 37.914 13.360 667 HZ2 LYS 6 HZ2 LYS 6 31.937 36.386 13.408 668 HZ3 LYS 6 HZ3 LYS 6 31.207 37.596 14.263 669 H LYS 7 H LYS 7 34.342 39.495 21.215 670 HA LYS 7 HA LYS 7 33.292 37.086 22.303 671 HB2 LYS 7 HB2 LYS 7 35.240 38.563 23.142 672 HB3 LYS 7 HB3 LYS 7 34.021 39.589 23.885 673 HG2 LYS 7 HG2 LYS 7 34.932 38.146 25.531 674 HG3 LYS 7 HG3 LYS 7 33.265 37.628 25.265 675 HD2 LYS 7 HD2 LYS 7 33.979 35.724 23.965 676 HD3 LYS 7 HD3 LYS 7 35.637 36.321 23.860 677 HE2 LYS 7 HE2 LYS 7 34.278 35.392 26.425 678 HE3 LYS 7 HE3 LYS 7 35.350 34.409 25.411 679 HZ1 LYS 7 HZ1 LYS 7 36.658 35.370 27.185 680 HZ2 LYS 7 HZ2 LYS 7 37.093 36.124 25.808 681 HZ3 LYS 7 HZ3 LYS 7 36.102 36.874 26.883 682 H MET 8 H MET 8 31.946 40.414 22.473 683 HA MET 8 HA MET 8 29.640 39.557 24.041 684 HB2 MET 8 HB2 MET 8 30.171 42.090 22.449 685 HB3 MET 8 HB3 MET 8 28.733 41.789 23.446 686 HG2 MET 8 HG2 MET 8 30.234 41.398 25.411 687 HG3 MET 8 HG3 MET 8 31.598 41.938 24.434 688 HE1 MET 8 HE1 MET 8 31.950 44.336 23.578 689 HE2 MET 8 HE2 MET 8 30.377 44.463 22.768 690 HE3 MET 8 HE3 MET 8 30.888 45.730 23.895 691 H GLN 9 H GLN 9 30.088 40.156 20.481 692 HA GLN 9 HA GLN 9 27.390 39.530 19.773 693 HB2 GLN 9 HB2 GLN 9 29.966 39.114 18.191 694 HB3 GLN 9 HB3 GLN 9 28.345 38.839 17.570 695 HG2 GLN 9 HG2 GLN 9 28.094 41.420 18.532 696 HG3 GLN 9 HG3 GLN 9 29.782 41.412 18.058 697 HE21 GLN 9 HE21 GLN 9 28.162 42.666 15.057 698 HE22 GLN 9 HE22 GLN 9 29.077 43.120 16.476 699 H MET 10 H MET 10 30.129 37.331 20.424 700 HA MET 10 HA MET 10 28.931 34.899 19.635 701 HB2 MET 10 HB2 MET 10 31.277 35.137 20.121 702 HB3 MET 10 HB3 MET 10 30.970 35.522 21.805 703 HG2 MET 10 HG2 MET 10 30.195 32.871 20.549 704 HG3 MET 10 HG3 MET 10 31.788 33.171 21.223 705 HE1 MET 10 HE1 MET 10 31.148 34.856 23.974 706 HE2 MET 10 HE2 MET 10 31.134 33.462 25.073 707 HE3 MET 10 HE3 MET 10 32.340 33.543 23.767 708 H LEU 11 H LEU 11 28.469 36.657 22.755 709 HA LEU 11 HA LEU 11 27.096 34.494 24.047 710 HB2 LEU 11 HB2 LEU 11 26.878 37.500 24.473 711 HB3 LEU 11 HB3 LEU 11 26.186 36.284 25.545 712 HG LEU 11 HG LEU 11 29.166 36.590 24.971 713 HD11 LEU 11 HD11 LEU 11 27.549 37.327 27.444 714 HD12 LEU 11 HD12 LEU 11 29.305 37.485 27.242 715 HD13 LEU 11 HD13 LEU 11 28.218 38.480 26.264 716 HD21 LEU 11 HD21 LEU 11 29.435 35.085 26.943 717 HD22 LEU 11 HD22 LEU 11 27.674 34.841 26.980 718 HD23 LEU 11 HD23 LEU 11 28.634 34.271 25.599 719 H LYS 12 H LYS 12 25.864 36.960 21.789 720 HA LYS 12 HA LYS 12 23.070 36.300 22.174 721 HB2 LYS 12 HB2 LYS 12 24.221 38.353 20.950 722 HB3 LYS 12 HB3 LYS 12 24.180 37.289 19.539 723 HG2 LYS 12 HG2 LYS 12 21.644 37.022 20.027 724 HG3 LYS 12 HG3 LYS 12 21.844 38.333 21.199 725 HD2 LYS 12 HD2 LYS 12 22.800 39.736 19.271 726 HD3 LYS 12 HD3 LYS 12 22.356 38.409 18.205 727 HE2 LYS 12 HE2 LYS 12 20.614 39.941 17.971 728 HE3 LYS 12 HE3 LYS 12 19.934 38.680 19.005 729 HZ1 LYS 12 HZ1 LYS 12 21.165 41.106 20.173 730 HZ2 LYS 12 HZ2 LYS 12 19.662 41.197 19.625 731 HZ3 LYS 12 HZ3 LYS 12 19.980 40.165 20.839 732 H LEU 13 H LEU 13 25.643 34.793 20.339 733 HA LEU 13 HA LEU 13 23.894 32.991 18.829 734 HB2 LEU 13 HB2 LEU 13 25.914 33.817 17.785 735 HB3 LEU 13 HB3 LEU 13 26.905 33.221 19.109 736 HG LEU 13 HG LEU 13 26.350 30.878 18.507 737 HD11 LEU 13 HD11 LEU 13 24.943 32.149 16.115 738 HD12 LEU 13 HD12 LEU 13 25.314 30.422 16.295 739 HD13 LEU 13 HD13 LEU 13 24.171 31.191 17.396 740 HD21 LEU 13 HD21 LEU 13 27.702 30.803 16.470 741 HD22 LEU 13 HD22 LEU 13 27.456 32.546 16.219 742 HD23 LEU 13 HD23 LEU 13 28.365 31.970 17.638 743 H ASP 14 H ASP 14 26.071 32.672 21.718 744 HA ASP 14 HA ASP 14 25.518 29.880 22.179 745 HB2 ASP 14 HB2 ASP 14 27.322 31.188 23.285 746 HB3 ASP 14 HB3 ASP 14 26.104 32.085 24.193 747 H ASN 15 H ASN 15 23.844 32.842 23.408 748 HA ASN 15 HA ASN 15 21.723 31.447 24.671 749 HB2 ASN 15 HB2 ASN 15 21.866 34.261 23.519 750 HB3 ASN 15 HB3 ASN 15 20.517 33.654 24.474 751 HD21 ASN 15 HD21 ASN 15 22.440 35.216 27.079 752 HD22 ASN 15 HD22 ASN 15 21.079 35.507 26.009 753 H TYR 16 H TYR 16 22.102 32.218 21.209 754 HA TYR 16 HA TYR 16 19.425 31.346 20.462 755 HB2 TYR 16 HB2 TYR 16 20.587 32.764 18.939 756 HB3 TYR 16 HB3 TYR 16 22.003 31.743 18.927 757 HD1 TYR 16 HD1 TYR 16 18.545 32.103 17.638 758 HD2 TYR 16 HD2 TYR 16 22.148 29.727 17.581 759 HE1 TYR 16 HE1 TYR 16 17.752 30.944 15.578 760 HE2 TYR 16 HE2 TYR 16 21.321 28.531 15.557 761 HH TYR 16 HH TYR 16 18.327 29.444 13.877 762 H HIS 17 H HIS 17 22.618 29.631 20.620 763 HA HIS 17 HA HIS 17 21.598 27.073 19.739 764 HB2 HIS 17 HB2 HIS 17 23.977 27.878 21.448 765 HB3 HIS 17 HB3 HIS 17 23.567 26.197 21.152 766 HD2 HIS 17 HD2 HIS 17 25.627 28.882 19.692 767 HE1 HIS 17 HE1 HIS 17 25.161 26.040 16.549 768 HE2 HIS 17 HE2 HIS 17 26.501 28.045 17.333 769 H LEU 18 H LEU 18 21.871 28.515 23.010 770 HA LEU 18 HA LEU 18 20.679 26.340 24.414 771 HB2 LEU 18 HB2 LEU 18 20.839 29.311 25.025 772 HB3 LEU 18 HB3 LEU 18 20.199 28.117 26.152 773 HG LEU 18 HG LEU 18 23.033 27.928 25.057 774 HD11 LEU 18 HD11 LEU 18 22.781 30.068 26.263 775 HD12 LEU 18 HD12 LEU 18 22.077 29.207 27.655 776 HD13 LEU 18 HD13 LEU 18 23.759 28.927 27.191 777 HD21 LEU 18 HD21 LEU 18 22.099 25.849 26.040 778 HD22 LEU 18 HD22 LEU 18 23.386 26.520 27.037 779 HD23 LEU 18 HD23 LEU 18 21.698 26.744 27.530 780 H GLU 19 H GLU 19 19.012 29.327 23.094 781 HA GLU 19 HA GLU 19 16.425 28.494 23.952 782 HB2 GLU 19 HB2 GLU 19 16.881 30.763 23.182 783 HB3 GLU 19 HB3 GLU 19 17.164 30.181 21.528 784 HG2 GLU 19 HG2 GLU 19 14.831 29.405 21.364 785 HG3 GLU 19 HG3 GLU 19 14.543 29.828 23.056 786 H ASN 20 H ASN 20 18.211 27.639 20.976 787 HA ASN 20 HA ASN 20 16.039 26.146 19.802 788 HB2 ASN 20 HB2 ASN 20 19.039 26.287 19.363 789 HB3 ASN 20 HB3 ASN 20 18.092 25.017 18.584 790 HD21 ASN 20 HD21 ASN 20 17.712 28.822 17.225 791 HD22 ASN 20 HD22 ASN 20 18.709 28.467 18.627 792 H GLU 21 H GLU 21 18.615 25.166 22.082 793 HA GLU 21 HA GLU 21 17.805 22.385 22.082 794 HB2 GLU 21 HB2 GLU 21 20.092 23.176 22.680 795 HB3 GLU 21 HB3 GLU 21 19.428 23.999 24.086 796 HG2 GLU 21 HG2 GLU 21 20.438 21.990 24.844 797 HG3 GLU 21 HG3 GLU 21 18.702 21.784 25.010 798 H VAL 22 H VAL 22 17.010 25.182 24.170 799 HA VAL 22 HA VAL 22 15.244 23.880 25.992 800 HB VAL 22 HB VAL 22 15.369 26.693 24.864 801 HG11 VAL 22 HG11 VAL 22 13.005 26.411 25.377 802 HG12 VAL 22 HG12 VAL 22 13.412 25.734 26.973 803 HG13 VAL 22 HG13 VAL 22 13.775 27.427 26.591 804 HG21 VAL 22 HG21 VAL 22 16.077 27.237 27.169 805 HG22 VAL 22 HG22 VAL 22 15.905 25.527 27.631 806 HG23 VAL 22 HG23 VAL 22 17.127 26.017 26.451 807 H ALA 23 H ALA 23 14.498 25.332 22.768 808 HA ALA 23 HA ALA 23 11.780 24.510 22.716 809 HB1 ALA 23 HB1 ALA 23 12.781 26.204 21.221 810 HB2 ALA 23 HB2 ALA 23 13.728 24.943 20.407 811 HB3 ALA 23 HB3 ALA 23 11.956 24.939 20.296 812 H ARG 24 H ARG 24 14.716 22.752 21.576 813 HA ARG 24 HA ARG 24 13.332 20.493 20.472 814 HB2 ARG 24 HB2 ARG 24 15.743 21.209 20.062 815 HB3 ARG 24 HB3 ARG 24 16.141 20.540 21.650 816 HG2 ARG 24 HG2 ARG 24 15.168 18.315 20.815 817 HG3 ARG 24 HG3 ARG 24 15.011 19.073 19.223 818 HD2 ARG 24 HD2 ARG 24 17.033 17.765 19.240 819 HD3 ARG 24 HD3 ARG 24 17.484 19.472 19.227 820 HE ARG 24 HE ARG 24 18.377 19.284 21.380 821 HH11 ARG 24 HH11 ARG 24 16.593 16.238 20.833 822 HH12 ARG 24 HH12 ARG 24 17.262 15.630 22.354 823 HH21 ARG 24 HH21 ARG 24 19.095 18.315 23.192 824 HH22 ARG 24 HH22 ARG 24 18.574 16.656 23.522 825 H LEU 25 H LEU 25 14.701 21.006 23.736 826 HA LEU 25 HA LEU 25 13.890 18.418 24.742 827 HB2 LEU 25 HB2 LEU 25 14.676 20.989 26.156 828 HB3 LEU 25 HB3 LEU 25 14.395 19.442 26.959 829 HG LEU 25 HG LEU 25 16.561 19.859 24.857 830 HD11 LEU 25 HD11 LEU 25 18.115 19.888 26.752 831 HD12 LEU 25 HD12 LEU 25 16.967 21.226 26.878 832 HD13 LEU 25 HD13 LEU 25 16.760 19.783 27.901 833 HD21 LEU 25 HD21 LEU 25 15.896 17.510 25.055 834 HD22 LEU 25 HD22 LEU 25 17.471 17.762 25.806 835 HD23 LEU 25 HD23 LEU 25 16.028 17.596 26.832 836 H LYS 26 H LYS 26 12.312 21.683 24.964 837 HA LYS 26 HA LYS 26 10.023 20.808 26.448 838 HB2 LYS 26 HB2 LYS 26 10.389 23.033 24.406 839 HB3 LYS 26 HB3 LYS 26 8.839 22.712 25.207 840 HG2 LYS 26 HG2 LYS 26 9.770 23.041 27.398 841 HG3 LYS 26 HG3 LYS 26 11.384 23.299 26.723 842 HD2 LYS 26 HD2 LYS 26 10.607 25.332 25.560 843 HD3 LYS 26 HD3 LYS 26 8.954 25.076 26.189 844 HE2 LYS 26 HE2 LYS 26 9.763 25.242 28.500 845 HE3 LYS 26 HE3 LYS 26 11.431 25.315 27.942 846 HZ1 LYS 26 HZ1 LYS 26 9.417 27.442 27.683 847 HZ2 LYS 26 HZ2 LYS 26 10.873 27.439 28.454 848 HZ3 LYS 26 HZ3 LYS 26 10.794 27.457 26.799 849 H LYS 27 H LYS 27 10.742 20.444 23.009 850 HA LYS 27 HA LYS 27 8.190 19.300 22.235 851 HB2 LYS 27 HB2 LYS 27 10.333 20.187 20.857 852 HB3 LYS 27 HB3 LYS 27 10.781 18.490 20.904 853 HG2 LYS 27 HG2 LYS 27 8.569 17.924 19.838 854 HG3 LYS 27 HG3 LYS 27 8.211 19.664 19.777 855 HD2 LYS 27 HD2 LYS 27 10.488 19.901 18.536 856 HD3 LYS 27 HD3 LYS 27 10.420 18.144 18.341 857 HE2 LYS 27 HE2 LYS 27 8.342 18.316 17.087 858 HE3 LYS 27 HE3 LYS 27 8.210 20.044 17.442 859 HZ1 LYS 27 HZ1 LYS 27 10.402 18.814 15.856 860 HZ2 LYS 27 HZ2 LYS 27 9.107 19.563 15.224 861 HZ3 LYS 27 HZ3 LYS 27 10.194 20.438 16.102 862 H LEU 28 H LEU 28 11.287 17.777 23.150 863 HA LEU 28 HA LEU 28 10.481 15.079 22.957 864 HB2 LEU 28 HB2 LEU 28 12.806 15.863 23.043 865 HB3 LEU 28 HB3 LEU 28 12.563 16.489 24.670 866 HG LEU 28 HG LEU 28 12.258 14.172 25.531 867 HD11 LEU 28 HD11 LEU 28 13.087 13.379 22.700 868 HD12 LEU 28 HD12 LEU 28 12.962 12.281 24.097 869 HD13 LEU 28 HD13 LEU 28 11.503 13.055 23.466 870 HD21 LEU 28 HD21 LEU 28 14.443 15.349 25.552 871 HD22 LEU 28 HD22 LEU 28 14.613 13.599 25.416 872 HD23 LEU 28 HD23 LEU 28 14.837 14.620 23.975 873 H VAL 29 H VAL 29 10.340 17.247 25.782 874 HA VAL 29 HA VAL 29 9.072 15.162 27.426 875 HB VAL 29 HB VAL 29 11.007 16.732 28.084 876 HG11 VAL 29 HG11 VAL 29 10.475 18.778 29.192 877 HG12 VAL 29 HG12 VAL 29 9.799 18.869 27.555 878 HG13 VAL 29 HG13 VAL 29 8.734 18.559 28.942 879 HG21 VAL 29 HG21 VAL 29 8.731 16.287 30.038 880 HG22 VAL 29 HG22 VAL 29 9.958 15.090 29.566 881 HG23 VAL 29 HG23 VAL 29 10.451 16.558 30.407 882 H GLY 30 H GLY 30 7.722 16.968 25.154 883 HA2 GLY 30 HA2 GLY 30 5.535 17.354 24.662 884 HA3 GLY 30 HA3 GLY 30 5.102 16.573 26.183 885 H GLU 31 H GLU 31 7.060 19.342 26.743 886 HA GLU 31 HA GLU 31 4.779 20.821 27.858 887 HB2 GLU 31 HB2 GLU 31 6.873 20.807 29.052 888 HB3 GLU 31 HB3 GLU 31 7.750 21.467 27.667 889 HG2 GLU 31 HG2 GLU 31 6.701 23.601 27.867 890 HG3 GLU 31 HG3 GLU 31 5.451 22.980 28.947 891 H ARG 32 H ARG 32 6.477 20.844 24.836 892 HA ARG 32 HA ARG 32 5.745 23.549 23.969 893 HB2 ARG 32 HB2 ARG 32 7.820 22.258 23.349 894 HB3 ARG 32 HB3 ARG 32 6.822 21.165 22.402 895 HG2 ARG 32 HG2 ARG 32 6.311 22.916 20.814 896 HG3 ARG 32 HG3 ARG 32 7.026 24.166 21.865 897 HD2 ARG 32 HD2 ARG 32 9.236 23.222 21.659 898 HD3 ARG 32 HD3 ARG 32 8.605 21.764 20.882 899 HE ARG 32 HE ARG 32 7.973 24.024 19.259 900 HH11 ARG 32 HH11 ARG 32 10.811 22.220 20.226 901 HH12 ARG 32 HH12 ARG 32 11.516 22.228 18.629 902 HH21 ARG 32 HH21 ARG 32 9.160 24.358 17.341 903 HH22 ARG 32 HH22 ARG 32 10.597 23.422 17.064 Start of MODEL 2 1 H1 SER 2 H1 SER 2 30.068 18.039 35.939 2 H2 SER 2 H2 SER 2 30.332 18.617 37.449 3 H3 SER 2 H3 SER 2 30.102 19.657 36.195 4 HA SER 2 HA SER 2 28.170 17.940 37.574 5 HB2 SER 2 HB2 SER 2 28.562 20.302 38.351 6 HB3 SER 2 HB3 SER 2 27.882 20.849 36.798 7 HG SER 2 HG SER 2 26.102 20.678 37.996 8 H THR 3 H THR 3 25.830 18.529 36.622 9 HA THR 3 HA THR 3 25.800 17.549 33.833 10 HB THR 3 HB THR 3 24.168 16.696 35.573 11 HG1 THR 3 HG1 THR 3 23.704 16.254 33.574 12 HG21 THR 3 HG21 THR 3 22.695 19.313 35.031 13 HG22 THR 3 HG22 THR 3 22.140 17.931 35.989 14 HG23 THR 3 HG23 THR 3 23.497 18.912 36.568 15 H PHE 4 H PHE 4 24.889 18.696 32.130 16 HA PHE 4 HA PHE 4 24.261 21.546 32.317 17 HB2 PHE 4 HB2 PHE 4 26.663 20.582 30.702 18 HB3 PHE 4 HB3 PHE 4 26.001 22.207 30.692 19 HD1 PHE 4 HD1 PHE 4 25.988 23.537 32.929 20 HD2 PHE 4 HD2 PHE 4 28.403 20.031 32.226 21 HE1 PHE 4 HE1 PHE 4 27.504 24.207 34.775 22 HE2 PHE 4 HE2 PHE 4 29.930 20.720 34.046 23 HZ PHE 4 HZ PHE 4 29.475 22.813 35.335 24 H GLY 5 H GLY 5 23.563 22.384 30.179 25 HA2 GLY 5 HA2 GLY 5 22.650 20.280 28.237 26 HA3 GLY 5 HA3 GLY 5 21.905 21.857 28.454 27 H TYR 6 H TYR 6 25.281 22.278 28.531 28 HA TYR 6 HA TYR 6 25.658 22.585 25.648 29 HB2 TYR 6 HB2 TYR 6 24.186 24.492 26.325 30 HB3 TYR 6 HB3 TYR 6 25.424 25.025 27.456 31 HD1 TYR 6 HD1 TYR 6 26.943 26.669 26.703 32 HD2 TYR 6 HD2 TYR 6 24.930 24.156 23.826 33 HE1 TYR 6 HE1 TYR 6 27.979 27.953 24.854 34 HE2 TYR 6 HE2 TYR 6 26.006 25.434 21.968 35 HH TYR 6 HH TYR 6 28.035 28.308 22.561 36 H ARG 7 H ARG 7 27.799 23.698 25.180 37 HA ARG 7 HA ARG 7 29.938 22.358 26.500 38 HB2 ARG 7 HB2 ARG 7 31.445 23.704 25.147 39 HB3 ARG 7 HB3 ARG 7 30.084 23.186 24.149 40 HG2 ARG 7 HG2 ARG 7 29.072 25.356 24.269 41 HG3 ARG 7 HG3 ARG 7 30.207 25.925 25.499 42 HD2 ARG 7 HD2 ARG 7 32.035 25.544 23.706 43 HD3 ARG 7 HD3 ARG 7 30.693 25.487 22.556 44 HE ARG 7 HE ARG 7 30.203 27.799 23.008 45 HH11 ARG 7 HH11 ARG 7 32.901 26.862 25.144 46 HH12 ARG 7 HH12 ARG 7 33.459 28.534 25.120 47 HH21 ARG 7 HH21 ARG 7 30.715 29.832 23.729 48 HH22 ARG 7 HH22 ARG 7 32.206 30.056 24.581 49 H ARG 8 H ARG 8 31.772 23.249 27.603 50 HA ARG 8 HA ARG 8 31.192 25.527 29.458 51 HB2 ARG 8 HB2 ARG 8 33.506 23.543 29.438 52 HB3 ARG 8 HB3 ARG 8 33.259 24.826 30.613 53 HG2 ARG 8 HG2 ARG 8 31.538 22.340 30.250 54 HG3 ARG 8 HG3 ARG 8 32.607 22.746 31.585 55 HD2 ARG 8 HD2 ARG 8 30.559 23.232 32.504 56 HD3 ARG 8 HD3 ARG 8 31.067 24.820 31.941 57 HE ARG 8 HE ARG 8 29.390 23.215 30.087 58 HH11 ARG 8 HH11 ARG 8 29.287 25.838 32.445 59 HH12 ARG 8 HH12 ARG 8 27.702 26.317 31.854 60 HH21 ARG 8 HH21 ARG 8 27.472 24.006 29.426 61 HH22 ARG 8 HH22 ARG 8 26.657 25.240 30.395 62 H GLY 9 H GLY 9 32.997 27.043 29.813 63 HA2 GLY 9 HA2 GLY 9 33.817 28.354 27.394 64 HA3 GLY 9 HA3 GLY 9 34.380 28.732 29.019 65 H LEU 10 H LEU 10 35.730 28.416 26.320 66 HA LEU 10 HA LEU 10 38.153 27.003 27.233 67 HB2 LEU 10 HB2 LEU 10 36.704 25.232 26.246 68 HB3 LEU 10 HB3 LEU 10 36.588 26.163 24.754 69 HG LEU 10 HG LEU 10 39.030 25.853 24.370 70 HD11 LEU 10 HD11 LEU 10 38.880 24.110 26.871 71 HD12 LEU 10 HD12 LEU 10 40.241 24.150 25.736 72 HD13 LEU 10 HD13 LEU 10 39.842 25.593 26.683 73 HD21 LEU 10 HD21 LEU 10 37.398 24.265 23.431 74 HD22 LEU 10 HD22 LEU 10 38.927 23.466 23.834 75 HD23 LEU 10 HD23 LEU 10 37.518 23.267 24.899 76 H SER 11 H SER 11 36.558 29.223 24.989 77 HA SER 11 HA SER 11 38.971 29.826 23.466 78 HB2 SER 11 HB2 SER 11 36.680 30.092 22.539 79 HB3 SER 11 HB3 SER 11 36.406 31.428 23.669 80 HG SER 11 HG SER 11 38.113 31.220 21.457 81 H LYS 12 H LYS 12 40.254 31.687 23.607 82 HA LYS 12 HA LYS 12 40.849 32.732 26.188 83 HB2 LYS 12 HB2 LYS 12 42.231 34.420 24.955 84 HB3 LYS 12 HB3 LYS 12 42.583 32.730 24.607 85 HG2 LYS 12 HG2 LYS 12 41.470 32.855 22.447 86 HG3 LYS 12 HG3 LYS 12 40.907 34.506 22.775 87 HD2 LYS 12 HD2 LYS 12 43.158 35.365 22.773 88 HD3 LYS 12 HD3 LYS 12 43.856 33.736 22.710 89 HE2 LYS 12 HE2 LYS 12 42.925 33.362 20.487 90 HE3 LYS 12 HE3 LYS 12 42.080 34.915 20.534 91 HZ1 LYS 12 HZ1 LYS 12 44.241 34.889 19.296 92 HZ2 LYS 12 HZ2 LYS 12 44.129 36.064 20.452 93 HZ3 LYS 12 HZ3 LYS 12 45.026 34.694 20.695 94 H TYR 13 H TYR 13 38.796 34.181 23.653 95 HA TYR 13 HA TYR 13 38.556 36.725 24.891 96 HB2 TYR 13 HB2 TYR 13 36.464 35.418 23.122 97 HB3 TYR 13 HB3 TYR 13 36.790 37.136 23.319 98 HD1 TYR 13 HD1 TYR 13 37.386 34.268 21.296 99 HD2 TYR 13 HD2 TYR 13 39.252 37.914 22.663 100 HE1 TYR 13 HE1 TYR 13 38.920 34.208 19.349 101 HE2 TYR 13 HE2 TYR 13 40.807 37.836 20.718 102 HH TYR 13 HH TYR 13 40.557 35.269 18.214 103 H GLU 14 H GLU 14 36.519 33.811 25.283 104 HA GLU 14 HA GLU 14 34.620 35.203 27.020 105 HB2 GLU 14 HB2 GLU 14 33.585 33.041 27.306 106 HB3 GLU 14 HB3 GLU 14 33.870 33.388 25.600 107 HG2 GLU 14 HG2 GLU 14 35.916 31.967 25.690 108 HG3 GLU 14 HG3 GLU 14 35.539 31.536 27.364 109 H SER 15 H SER 15 37.541 33.280 27.506 110 HA SER 15 HA SER 15 36.979 32.572 30.240 111 HB2 SER 15 HB2 SER 15 39.558 32.457 28.622 112 HB3 SER 15 HB3 SER 15 39.323 31.730 30.215 113 HG SER 15 HG SER 15 38.173 31.046 27.744 114 H ILE 16 H ILE 16 38.432 35.449 28.960 115 HA ILE 16 HA ILE 16 39.737 36.115 31.545 116 HB ILE 16 HB ILE 16 40.984 36.452 29.436 117 HG12 ILE 16 HG12 ILE 16 40.450 39.094 30.846 118 HG13 ILE 16 HG13 ILE 16 41.375 37.762 31.566 119 HG21 ILE 16 HG21 ILE 16 40.454 38.248 27.878 120 HG22 ILE 16 HG22 ILE 16 39.061 37.162 27.978 121 HG23 ILE 16 HG23 ILE 16 39.038 38.711 28.841 122 HD11 ILE 16 HD11 ILE 16 43.002 37.894 29.678 123 HD12 ILE 16 HD12 ILE 16 42.125 39.311 29.049 124 HD13 ILE 16 HD13 ILE 16 42.903 39.382 30.634 125 H ASP 17 H ASP 17 39.162 37.936 32.764 126 HA ASP 17 HA ASP 17 36.365 38.692 32.808 127 HB2 ASP 17 HB2 ASP 17 38.554 40.256 34.177 128 HB3 ASP 17 HB3 ASP 17 36.921 39.969 34.693 129 H GLU 18 H GLU 18 35.341 40.538 31.943 130 HA GLU 18 HA GLU 18 36.669 41.894 29.812 131 HB2 GLU 18 HB2 GLU 18 34.678 43.209 29.588 132 HB3 GLU 18 HB3 GLU 18 34.246 41.534 29.802 133 HG2 GLU 18 HG2 GLU 18 34.226 43.526 32.126 134 HG3 GLU 18 HG3 GLU 18 32.887 43.387 31.009 135 H ASP 19 H ASP 19 36.822 42.633 33.178 136 HA ASP 19 HA ASP 19 36.872 45.472 33.036 137 HB2 ASP 19 HB2 ASP 19 36.695 43.803 35.078 138 HB3 ASP 19 HB3 ASP 19 38.448 43.937 35.127 139 H GLU 20 H GLU 20 39.579 43.128 32.798 140 HA GLU 20 HA GLU 20 41.684 45.115 32.643 141 HB2 GLU 20 HB2 GLU 20 42.131 42.772 33.209 142 HB3 GLU 20 HB3 GLU 20 41.472 42.234 31.670 143 HG2 GLU 20 HG2 GLU 20 43.877 42.116 31.603 144 HG3 GLU 20 HG3 GLU 20 43.317 43.301 30.445 145 H LEU 21 H LEU 21 39.580 43.596 30.203 146 HA LEU 21 HA LEU 21 40.956 44.705 27.895 147 HB2 LEU 21 HB2 LEU 21 38.061 43.784 28.143 148 HB3 LEU 21 HB3 LEU 21 38.969 44.021 26.653 149 HG LEU 21 HG LEU 21 39.531 41.872 28.743 150 HD11 LEU 21 HD11 LEU 21 38.330 41.716 25.946 151 HD12 LEU 21 HD12 LEU 21 38.690 40.339 27.009 152 HD13 LEU 21 HD13 LEU 21 37.448 41.508 27.478 153 HD21 LEU 21 HD21 LEU 21 41.607 42.507 27.573 154 HD22 LEU 21 HD22 LEU 21 41.051 40.926 27.027 155 HD23 LEU 21 HD23 LEU 21 40.785 42.352 26.001 156 H LEU 22 H LEU 22 38.089 45.688 29.783 157 HA LEU 22 HA LEU 22 37.530 48.084 28.277 158 HB2 LEU 22 HB2 LEU 22 36.792 47.071 31.055 159 HB3 LEU 22 HB3 LEU 22 36.195 48.596 30.428 160 HG LEU 22 HG LEU 22 35.729 45.968 28.964 161 HD11 LEU 22 HD11 LEU 22 34.731 45.850 31.215 162 HD12 LEU 22 HD12 LEU 22 33.895 47.395 30.924 163 HD13 LEU 22 HD13 LEU 22 33.486 45.959 29.957 164 HD21 LEU 22 HD21 LEU 22 34.276 48.640 28.818 165 HD22 LEU 22 HD22 LEU 22 35.437 48.050 27.617 166 HD23 LEU 22 HD23 LEU 22 33.920 47.177 27.874 167 H ALA 23 H ALA 23 39.533 47.511 31.205 168 HA ALA 23 HA ALA 23 40.220 50.286 31.578 169 HB1 ALA 23 HB1 ALA 23 41.964 49.351 33.054 170 HB2 ALA 23 HB2 ALA 23 40.399 48.572 33.353 171 HB3 ALA 23 HB3 ALA 23 41.650 47.723 32.417 172 H SER 24 H SER 24 41.563 47.768 29.451 173 HA SER 24 HA SER 24 44.085 49.069 28.952 174 HB2 SER 24 HB2 SER 24 42.508 47.067 27.283 175 HB3 SER 24 HB3 SER 24 44.175 47.573 26.962 176 HG SER 24 HG SER 24 43.187 46.234 29.284 177 H LEU 25 H LEU 25 40.927 49.375 27.337 178 HA LEU 25 HA LEU 25 41.988 50.687 24.984 179 HB2 LEU 25 HB2 LEU 25 39.176 50.426 26.084 180 HB3 LEU 25 HB3 LEU 25 39.556 51.096 24.499 181 HG LEU 25 HG LEU 25 40.179 48.238 25.366 182 HD11 LEU 25 HD11 LEU 25 37.766 48.658 25.187 183 HD12 LEU 25 HD12 LEU 25 37.990 49.342 23.559 184 HD13 LEU 25 HD13 LEU 25 38.330 47.621 23.870 185 HD21 LEU 25 HD21 LEU 25 41.711 49.019 23.585 186 HD22 LEU 25 HD22 LEU 25 40.578 47.814 22.980 187 HD23 LEU 25 HD23 LEU 25 40.319 49.535 22.616 188 H SER 26 H SER 26 41.931 52.768 24.304 189 HA SER 26 HA SER 26 41.901 54.903 26.298 190 HB2 SER 26 HB2 SER 26 42.355 56.387 24.447 191 HB3 SER 26 HB3 SER 26 43.397 54.962 24.317 192 HG SER 26 HG SER 26 42.055 54.124 22.744 193 H ALA 27 H ALA 27 40.441 56.753 26.227 194 HA ALA 27 HA ALA 27 37.717 56.113 26.287 195 HB1 ALA 27 HB1 ALA 27 37.382 58.561 26.410 196 HB2 ALA 27 HB2 ALA 27 38.746 58.046 27.418 197 HB3 ALA 27 HB3 ALA 27 39.044 58.832 25.848 198 H GLU 28 H GLU 28 39.601 57.268 23.510 199 HA GLU 28 HA GLU 28 37.397 57.898 21.767 200 HB2 GLU 28 HB2 GLU 28 39.893 58.606 21.657 201 HB3 GLU 28 HB3 GLU 28 40.198 57.006 20.989 202 HG2 GLU 28 HG2 GLU 28 40.023 58.357 19.105 203 HG3 GLU 28 HG3 GLU 28 38.418 57.634 19.183 204 H GLU 29 H GLU 29 39.326 54.912 22.274 205 HA GLU 29 HA GLU 29 37.961 53.321 20.255 206 HB2 GLU 29 HB2 GLU 29 39.561 52.586 22.736 207 HB3 GLU 29 HB3 GLU 29 38.946 51.399 21.583 208 HG2 GLU 29 HG2 GLU 29 40.389 52.137 19.853 209 HG3 GLU 29 HG3 GLU 29 40.760 53.651 20.673 210 H LEU 30 H LEU 30 37.508 53.745 23.802 211 HA LEU 30 HA LEU 30 35.364 51.862 24.058 212 HB2 LEU 30 HB2 LEU 30 36.143 54.330 25.645 213 HB3 LEU 30 HB3 LEU 30 34.851 53.246 26.156 214 HG LEU 30 HG LEU 30 37.688 52.248 25.660 215 HD11 LEU 30 HD11 LEU 30 37.824 53.966 27.357 216 HD12 LEU 30 HD12 LEU 30 36.458 53.247 28.256 217 HD13 LEU 30 HD13 LEU 30 38.009 52.379 28.104 218 HD21 LEU 30 HD21 LEU 30 36.966 50.427 27.186 219 HD22 LEU 30 HD22 LEU 30 35.340 51.135 27.267 220 HD23 LEU 30 HD23 LEU 30 35.966 50.492 25.730 221 H LYS 31 H LYS 31 35.330 55.292 23.169 222 HA LYS 31 HA LYS 31 32.477 55.674 23.108 223 HB2 LYS 31 HB2 LYS 31 34.275 57.446 23.099 224 HB3 LYS 31 HB3 LYS 31 34.678 56.984 21.446 225 HG2 LYS 31 HG2 LYS 31 32.195 57.554 20.877 226 HG3 LYS 31 HG3 LYS 31 32.122 58.248 22.499 227 HD2 LYS 31 HD2 LYS 31 32.660 60.065 21.102 228 HD3 LYS 31 HD3 LYS 31 34.220 59.616 21.825 229 HE2 LYS 31 HE2 LYS 31 34.644 58.208 19.713 230 HE3 LYS 31 HE3 LYS 31 33.158 58.904 19.051 231 HZ1 LYS 31 HZ1 LYS 31 35.739 60.163 19.557 232 HZ2 LYS 31 HZ2 LYS 31 34.685 60.430 18.293 233 HZ3 LYS 31 HZ3 LYS 31 34.413 61.103 19.759 234 H GLU 32 H GLU 32 34.771 54.613 20.564 235 HA GLU 32 HA GLU 32 32.767 54.288 18.498 236 HB2 GLU 32 HB2 GLU 32 35.176 54.595 18.050 237 HB3 GLU 32 HB3 GLU 32 35.538 53.095 18.891 238 HG2 GLU 32 HG2 GLU 32 35.672 52.690 16.545 239 HG3 GLU 32 HG3 GLU 32 34.285 51.813 17.177 240 H LEU 33 H LEU 33 34.275 52.043 20.823 241 HA LEU 33 HA LEU 33 33.135 49.664 19.975 242 HB2 LEU 33 HB2 LEU 33 35.012 49.849 21.525 243 HB3 LEU 33 HB3 LEU 33 33.960 50.554 22.746 244 HG LEU 33 HG LEU 33 32.678 48.426 22.897 245 HD11 LEU 33 HD11 LEU 33 33.088 47.484 20.654 246 HD12 LEU 33 HD12 LEU 33 34.827 47.361 20.997 247 HD13 LEU 33 HD13 LEU 33 33.656 46.370 21.900 248 HD21 LEU 33 HD21 LEU 33 35.678 48.117 23.269 249 HD22 LEU 33 HD22 LEU 33 34.555 48.891 24.409 250 HD23 LEU 33 HD23 LEU 33 34.401 47.165 24.064 251 H GLU 34 H GLU 34 31.641 52.041 22.248 252 HA GLU 34 HA GLU 34 29.507 50.361 23.082 253 HB2 GLU 34 HB2 GLU 34 30.115 52.655 24.002 254 HB3 GLU 34 HB3 GLU 34 29.257 53.368 22.635 255 HG2 GLU 34 HG2 GLU 34 27.178 52.188 23.355 256 HG3 GLU 34 HG3 GLU 34 28.061 51.430 24.681 257 H ARG 35 H ARG 35 29.762 52.279 20.081 258 HA ARG 35 HA ARG 35 27.037 51.600 19.191 259 HB2 ARG 35 HB2 ARG 35 28.325 53.734 18.587 260 HB3 ARG 35 HB3 ARG 35 29.343 52.710 17.560 261 HG2 ARG 35 HG2 ARG 35 27.118 51.965 16.421 262 HG3 ARG 35 HG3 ARG 35 26.347 53.260 17.334 263 HD2 ARG 35 HD2 ARG 35 26.810 54.114 15.164 264 HD3 ARG 35 HD3 ARG 35 27.982 54.879 16.242 265 HE ARG 35 HE ARG 35 28.495 52.636 14.297 266 HH11 ARG 35 HH11 ARG 35 30.011 55.085 16.347 267 HH12 ARG 35 HH12 ARG 35 31.609 54.584 15.831 268 HH21 ARG 35 HH21 ARG 35 30.414 52.026 13.868 269 HH22 ARG 35 HH22 ARG 35 31.848 52.833 14.527 270 H GLU 36 H GLU 36 30.341 50.485 18.461 271 HA GLU 36 HA GLU 36 29.625 48.520 16.485 272 HB2 GLU 36 HB2 GLU 36 31.978 48.887 18.362 273 HB3 GLU 36 HB3 GLU 36 31.895 47.516 17.254 274 HG2 GLU 36 HG2 GLU 36 31.462 50.241 16.038 275 HG3 GLU 36 HG3 GLU 36 33.067 49.861 16.622 276 H LEU 37 H LEU 37 29.298 48.412 19.973 277 HA LEU 37 HA LEU 37 28.535 45.545 19.928 278 HB2 LEU 37 HB2 LEU 37 28.570 47.663 22.108 279 HB3 LEU 37 HB3 LEU 37 28.049 46.000 22.367 280 HG LEU 37 HG LEU 37 30.855 46.756 21.440 281 HD11 LEU 37 HD11 LEU 37 29.840 46.008 24.209 282 HD12 LEU 37 HD12 LEU 37 31.537 46.287 23.751 283 HD13 LEU 37 HD13 LEU 37 30.380 47.625 23.697 284 HD21 LEU 37 HD21 LEU 37 30.228 44.448 20.845 285 HD22 LEU 37 HD22 LEU 37 31.453 44.492 22.122 286 HD23 LEU 37 HD23 LEU 37 29.764 44.145 22.537 287 H GLU 38 H GLU 38 26.919 48.736 19.942 288 HA GLU 38 HA GLU 38 24.368 47.795 20.765 289 HB2 GLU 38 HB2 GLU 38 25.114 50.165 20.776 290 HB3 GLU 38 HB3 GLU 38 25.036 50.205 19.019 291 HG2 GLU 38 HG2 GLU 38 23.077 51.266 20.083 292 HG3 GLU 38 HG3 GLU 38 22.619 49.908 19.066 293 H ASP 39 H ASP 39 25.737 47.885 17.440 294 HA ASP 39 HA ASP 39 23.277 46.983 16.208 295 HB2 ASP 39 HB2 ASP 39 26.165 46.975 15.317 296 HB3 ASP 39 HB3 ASP 39 24.924 46.155 14.379 297 H ILE 40 H ILE 40 25.465 45.236 18.246 298 HA ILE 40 HA ILE 40 24.981 42.623 16.963 299 HB ILE 40 HB ILE 40 26.422 43.313 19.541 300 HG12 ILE 40 HG12 ILE 40 27.562 44.389 17.684 301 HG13 ILE 40 HG13 ILE 40 28.516 43.072 18.331 302 HG21 ILE 40 HG21 ILE 40 26.359 40.719 17.961 303 HG22 ILE 40 HG22 ILE 40 27.519 41.085 19.258 304 HG23 ILE 40 HG23 ILE 40 25.796 40.994 19.623 305 HD11 ILE 40 HD11 ILE 40 26.888 42.967 15.749 306 HD12 ILE 40 HD12 ILE 40 28.644 43.145 15.886 307 HD13 ILE 40 HD13 ILE 40 27.877 41.636 16.401 308 H GLU 41 H GLU 41 23.852 44.336 19.843 309 HA GLU 41 HA GLU 41 21.536 42.504 20.221 310 HB2 GLU 41 HB2 GLU 41 23.292 41.632 21.741 311 HB3 GLU 41 HB3 GLU 41 23.571 43.246 22.348 312 HG2 GLU 41 HG2 GLU 41 22.317 42.455 24.058 313 HG3 GLU 41 HG3 GLU 41 21.023 43.145 23.103 314 H1 GLY 0 H1 GLY 0 27.708 53.966 27.833 315 H2 GLY 0 H2 GLY 0 27.832 55.599 27.808 316 H3 GLY 0 H3 GLY 0 27.560 54.836 29.241 317 HA2 GLY 0 HA2 GLY 0 29.985 54.685 27.590 318 HA3 GLY 0 HA3 GLY 0 29.829 55.533 29.143 319 H MET 1 H MET 1 31.282 54.336 30.381 320 HA MET 1 HA MET 1 31.999 51.689 29.917 321 HB2 MET 1 HB2 MET 1 33.362 53.328 31.126 322 HB3 MET 1 HB3 MET 1 32.221 53.345 32.465 323 HG2 MET 1 HG2 MET 1 34.189 51.994 33.004 324 HG3 MET 1 HG3 MET 1 32.723 51.023 33.008 325 HE1 MET 1 HE1 MET 1 36.100 50.823 29.818 326 HE2 MET 1 HE2 MET 1 35.139 52.289 30.073 327 HE3 MET 1 HE3 MET 1 36.213 51.692 31.358 328 H ASP 2 H ASP 2 29.784 52.772 32.547 329 HA ASP 2 HA ASP 2 29.296 50.086 33.532 330 HB2 ASP 2 HB2 ASP 2 27.591 51.193 34.904 331 HB3 ASP 2 HB3 ASP 2 29.154 51.988 35.004 332 H ALA 3 H ALA 3 27.809 52.086 31.022 333 HA ALA 3 HA ALA 3 25.470 50.399 30.700 334 HB1 ALA 3 HB1 ALA 3 25.531 52.764 30.035 335 HB2 ALA 3 HB2 ALA 3 26.690 52.352 28.739 336 HB3 ALA 3 HB3 ALA 3 25.058 51.673 28.715 337 H ILE 4 H ILE 4 28.733 50.459 29.203 338 HA ILE 4 HA ILE 4 28.250 48.298 27.338 339 HB ILE 4 HB ILE 4 30.791 49.388 28.606 340 HG12 ILE 4 HG12 ILE 4 29.875 49.592 25.702 341 HG13 ILE 4 HG13 ILE 4 29.393 50.776 26.903 342 HG21 ILE 4 HG21 ILE 4 30.480 47.220 26.480 343 HG22 ILE 4 HG22 ILE 4 31.994 48.087 26.789 344 HG23 ILE 4 HG23 ILE 4 31.296 47.093 28.056 345 HD11 ILE 4 HD11 ILE 4 31.310 51.639 25.739 346 HD12 ILE 4 HD12 ILE 4 31.789 51.266 27.405 347 HD13 ILE 4 HD13 ILE 4 32.257 50.183 26.071 348 H LYS 5 H LYS 5 29.475 48.343 30.726 349 HA LYS 5 HA LYS 5 29.566 45.470 31.005 350 HB2 LYS 5 HB2 LYS 5 29.256 47.689 33.067 351 HB3 LYS 5 HB3 LYS 5 29.421 45.967 33.466 352 HG2 LYS 5 HG2 LYS 5 31.583 45.892 32.222 353 HG3 LYS 5 HG3 LYS 5 31.473 47.636 31.956 354 HD2 LYS 5 HD2 LYS 5 31.464 48.022 34.401 355 HD3 LYS 5 HD3 LYS 5 31.527 46.264 34.682 356 HE2 LYS 5 HE2 LYS 5 33.696 46.168 33.435 357 HE3 LYS 5 HE3 LYS 5 33.648 47.930 33.247 358 HZ1 LYS 5 HZ1 LYS 5 33.667 48.099 35.689 359 HZ2 LYS 5 HZ2 LYS 5 33.746 46.480 35.837 360 HZ3 LYS 5 HZ3 LYS 5 35.004 47.258 35.154 361 H LYS 6 H LYS 6 26.873 47.749 31.722 362 HA LYS 6 HA LYS 6 24.904 45.866 32.486 363 HB2 LYS 6 HB2 LYS 6 24.512 48.252 32.653 364 HB3 LYS 6 HB3 LYS 6 24.745 48.449 30.929 365 HG2 LYS 6 HG2 LYS 6 22.523 48.726 31.172 366 HG3 LYS 6 HG3 LYS 6 22.618 47.100 30.549 367 HD2 LYS 6 HD2 LYS 6 22.307 46.247 32.907 368 HD3 LYS 6 HD3 LYS 6 22.124 47.927 33.452 369 HE2 LYS 6 HE2 LYS 6 20.381 46.481 31.402 370 HE3 LYS 6 HE3 LYS 6 19.925 46.799 33.071 371 HZ1 LYS 6 HZ1 LYS 6 19.025 48.357 31.387 372 HZ2 LYS 6 HZ2 LYS 6 19.831 49.143 32.599 373 HZ3 LYS 6 HZ3 LYS 6 20.521 48.963 31.121 374 H LYS 7 H LYS 7 25.727 46.882 29.115 375 HA LYS 7 HA LYS 7 23.823 45.285 27.765 376 HB2 LYS 7 HB2 LYS 7 25.268 47.030 26.693 377 HB3 LYS 7 HB3 LYS 7 26.662 45.982 26.895 378 HG2 LYS 7 HG2 LYS 7 26.090 45.645 24.667 379 HG3 LYS 7 HG3 LYS 7 25.419 44.238 25.475 380 HD2 LYS 7 HD2 LYS 7 23.763 44.882 23.968 381 HD3 LYS 7 HD3 LYS 7 23.164 45.517 25.502 382 HE2 LYS 7 HE2 LYS 7 24.045 47.770 24.902 383 HE3 LYS 7 HE3 LYS 7 24.741 47.100 23.413 384 HZ1 LYS 7 HZ1 LYS 7 21.846 47.217 24.041 385 HZ2 LYS 7 HZ2 LYS 7 22.624 48.142 22.937 386 HZ3 LYS 7 HZ3 LYS 7 22.484 46.528 22.694 387 H MET 8 H MET 8 27.205 44.331 28.576 388 HA MET 8 HA MET 8 26.831 41.588 27.771 389 HB2 MET 8 HB2 MET 8 28.854 42.891 29.630 390 HB3 MET 8 HB3 MET 8 28.908 41.190 29.132 391 HG2 MET 8 HG2 MET 8 28.951 41.882 26.752 392 HG3 MET 8 HG3 MET 8 28.995 43.576 27.237 393 HE1 MET 8 HE1 MET 8 31.040 43.799 29.604 394 HE2 MET 8 HE2 MET 8 32.511 44.111 28.656 395 HE3 MET 8 HE3 MET 8 30.961 44.820 28.151 396 H GLN 9 H GLN 9 26.283 43.186 30.940 397 HA GLN 9 HA GLN 9 25.729 40.803 32.374 398 HB2 GLN 9 HB2 GLN 9 26.135 43.141 33.302 399 HB3 GLN 9 HB3 GLN 9 24.466 43.511 32.872 400 HG2 GLN 9 HG2 GLN 9 24.471 42.961 35.173 401 HG3 GLN 9 HG3 GLN 9 23.740 41.581 34.369 402 HE21 GLN 9 HE21 GLN 9 26.133 40.257 36.891 403 HE22 GLN 9 HE22 GLN 9 24.595 41.101 36.889 404 H MET 10 H MET 10 23.550 42.709 30.225 405 HA MET 10 HA MET 10 21.208 41.148 30.862 406 HB2 MET 10 HB2 MET 10 21.874 42.599 28.275 407 HB3 MET 10 HB3 MET 10 20.311 41.915 28.697 408 HG2 MET 10 HG2 MET 10 21.719 44.232 30.039 409 HG3 MET 10 HG3 MET 10 20.252 44.281 29.086 410 HE1 MET 10 HE1 MET 10 17.903 43.280 29.905 411 HE2 MET 10 HE2 MET 10 18.597 41.709 30.380 412 HE3 MET 10 HE3 MET 10 17.615 42.633 31.534 413 H LEU 11 H LEU 11 23.824 40.558 28.441 414 HA LEU 11 HA LEU 11 22.588 38.146 27.415 415 HB2 LEU 11 HB2 LEU 11 25.479 39.100 27.420 416 HB3 LEU 11 HB3 LEU 11 24.957 37.547 26.787 417 HG LEU 11 HG LEU 11 23.314 38.841 25.274 418 HD11 LEU 11 HD11 LEU 11 23.502 41.094 26.216 419 HD12 LEU 11 HD12 LEU 11 25.269 41.080 25.984 420 HD13 LEU 11 HD13 LEU 11 24.174 41.085 24.590 421 HD21 LEU 11 HD21 LEU 11 26.336 38.940 24.931 422 HD22 LEU 11 HD22 LEU 11 25.239 37.635 24.448 423 HD23 LEU 11 HD23 LEU 11 25.158 39.201 23.625 424 H LYS 12 H LYS 12 24.723 38.750 30.186 425 HA LYS 12 HA LYS 12 24.982 35.956 30.960 426 HB2 LYS 12 HB2 LYS 12 25.347 38.565 32.475 427 HB3 LYS 12 HB3 LYS 12 25.688 36.979 33.164 428 HG2 LYS 12 HG2 LYS 12 27.461 36.536 31.634 429 HG3 LYS 12 HG3 LYS 12 26.959 37.815 30.532 430 HD2 LYS 12 HD2 LYS 12 28.955 38.517 31.660 431 HD3 LYS 12 HD3 LYS 12 27.598 39.542 32.138 432 HE2 LYS 12 HE2 LYS 12 27.370 38.088 34.224 433 HE3 LYS 12 HE3 LYS 12 28.875 37.287 33.744 434 HZ1 LYS 12 HZ1 LYS 12 29.969 39.460 33.836 435 HZ2 LYS 12 HZ2 LYS 12 28.531 40.167 34.340 436 HZ3 LYS 12 HZ3 LYS 12 29.295 39.074 35.277 437 H LEU 13 H LEU 13 22.563 38.461 31.752 438 HA LEU 13 HA LEU 13 21.052 36.755 33.534 439 HB2 LEU 13 HB2 LEU 13 20.382 39.291 32.013 440 HB3 LEU 13 HB3 LEU 13 19.214 38.482 33.045 441 HG LEU 13 HG LEU 13 21.928 39.385 34.103 442 HD11 LEU 13 HD11 LEU 13 19.273 40.876 34.148 443 HD12 LEU 13 HD12 LEU 13 20.752 41.350 35.018 444 HD13 LEU 13 HD13 LEU 13 20.735 41.348 33.248 445 HD21 LEU 13 HD21 LEU 13 20.765 37.715 35.499 446 HD22 LEU 13 HD22 LEU 13 20.775 39.299 36.283 447 HD23 LEU 13 HD23 LEU 13 19.297 38.715 35.488 448 H ASP 14 H ASP 14 20.876 37.148 29.938 449 HA ASP 14 HA ASP 14 18.710 35.254 29.648 450 HB2 ASP 14 HB2 ASP 14 21.111 35.163 27.846 451 HB3 ASP 14 HB3 ASP 14 19.468 34.743 27.471 452 H ASN 15 H ASN 15 22.256 34.798 29.767 453 HA ASN 15 HA ASN 15 22.318 32.054 29.343 454 HB2 ASN 15 HB2 ASN 15 24.192 33.748 29.141 455 HB3 ASN 15 HB3 ASN 15 24.357 33.713 30.897 456 HD21 ASN 15 HD21 ASN 15 25.507 30.428 28.722 457 HD22 ASN 15 HD22 ASN 15 24.426 31.631 27.998 458 H TYR 16 H TYR 16 22.486 33.698 32.543 459 HA TYR 16 HA TYR 16 22.782 31.201 33.966 460 HB2 TYR 16 HB2 TYR 16 22.057 33.941 35.029 461 HB3 TYR 16 HB3 TYR 16 22.653 32.581 35.971 462 HD1 TYR 16 HD1 TYR 16 24.779 32.084 33.358 463 HD2 TYR 16 HD2 TYR 16 23.886 35.157 36.259 464 HE1 TYR 16 HE1 TYR 16 27.035 33.019 33.061 465 HE2 TYR 16 HE2 TYR 16 26.185 36.082 35.959 466 HH TYR 16 HH TYR 16 28.515 34.664 33.638 467 H HIS 17 H HIS 17 19.941 32.723 32.728 468 HA HIS 17 HA HIS 17 18.201 30.969 34.388 469 HB2 HIS 17 HB2 HIS 17 17.244 33.108 33.691 470 HB3 HIS 17 HB3 HIS 17 17.499 32.683 31.992 471 HD2 HIS 17 HD2 HIS 17 15.242 31.897 30.957 472 HE1 HIS 17 HE1 HIS 17 13.755 29.530 34.168 473 HE2 HIS 17 HE2 HIS 17 13.283 30.333 31.811 474 H LEU 18 H LEU 18 19.331 31.180 30.968 475 HA LEU 18 HA LEU 18 18.120 28.830 30.042 476 HB2 LEU 18 HB2 LEU 18 20.679 30.261 29.254 477 HB3 LEU 18 HB3 LEU 18 20.100 28.855 28.382 478 HG LEU 18 HG LEU 18 18.378 31.338 28.739 479 HD11 LEU 18 HD11 LEU 18 20.464 31.944 27.553 480 HD12 LEU 18 HD12 LEU 18 20.205 30.605 26.411 481 HD13 LEU 18 HD13 LEU 18 19.070 31.966 26.460 482 HD21 LEU 18 HD21 LEU 18 18.278 29.010 26.769 483 HD22 LEU 18 HD22 LEU 18 17.147 29.294 28.106 484 HD23 LEU 18 HD23 LEU 18 17.218 30.425 26.742 485 H GLU 19 H GLU 19 21.458 29.023 31.410 486 HA GLU 19 HA GLU 19 22.142 26.276 31.116 487 HB2 GLU 19 HB2 GLU 19 22.929 28.338 33.204 488 HB3 GLU 19 HB3 GLU 19 23.688 26.764 33.090 489 HG2 GLU 19 HG2 GLU 19 23.696 28.331 30.542 490 HG3 GLU 19 HG3 GLU 19 24.585 29.053 31.880 491 H ASN 20 H ASN 20 20.039 27.789 33.502 492 HA ASN 20 HA ASN 20 20.030 25.409 35.268 493 HB2 ASN 20 HB2 ASN 20 20.172 27.829 36.072 494 HB3 ASN 20 HB3 ASN 20 18.514 28.042 35.507 495 HD21 ASN 20 HD21 ASN 20 17.351 26.860 38.611 496 HD22 ASN 20 HD22 ASN 20 17.126 27.929 37.219 497 H GLU 21 H GLU 21 17.796 27.224 33.143 498 HA GLU 21 HA GLU 21 15.478 25.583 33.519 499 HB2 GLU 21 HB2 GLU 21 15.394 27.845 32.623 500 HB3 GLU 21 HB3 GLU 21 16.430 27.396 31.276 501 HG2 GLU 21 HG2 GLU 21 14.227 27.644 30.456 502 HG3 GLU 21 HG3 GLU 21 14.653 25.946 30.358 503 H VAL 22 H VAL 22 18.174 25.378 31.115 504 HA VAL 22 HA VAL 22 17.084 23.088 29.780 505 HB VAL 22 HB VAL 22 18.899 24.654 28.947 506 HG11 VAL 22 HG11 VAL 22 20.781 22.758 30.418 507 HG12 VAL 22 HG12 VAL 22 21.213 24.088 29.319 508 HG13 VAL 22 HG13 VAL 22 20.465 24.443 30.874 509 HG21 VAL 22 HG21 VAL 22 19.924 22.924 27.561 510 HG22 VAL 22 HG22 VAL 22 19.324 21.656 28.657 511 HG23 VAL 22 HG23 VAL 22 18.188 22.672 27.740 512 H ALA 23 H ALA 23 19.136 23.327 32.706 513 HA ALA 23 HA ALA 23 19.574 20.499 32.968 514 HB1 ALA 23 HB1 ALA 23 20.947 22.217 34.096 515 HB2 ALA 23 HB2 ALA 23 19.556 22.685 35.094 516 HB3 ALA 23 HB3 ALA 23 20.256 21.065 35.257 517 H ARG 24 H ARG 24 16.973 22.638 34.224 518 HA ARG 24 HA ARG 24 15.438 20.619 35.598 519 HB2 ARG 24 HB2 ARG 24 15.028 23.081 35.770 520 HB3 ARG 24 HB3 ARG 24 14.489 23.110 34.093 521 HG2 ARG 24 HG2 ARG 24 12.625 21.499 34.724 522 HG3 ARG 24 HG3 ARG 24 13.158 21.645 36.402 523 HD2 ARG 24 HD2 ARG 24 11.332 23.150 36.160 524 HD3 ARG 24 HD3 ARG 24 12.779 24.153 36.209 525 HE ARG 24 HE ARG 24 12.459 24.771 33.948 526 HH11 ARG 24 HH11 ARG 24 9.972 22.326 34.698 527 HH12 ARG 24 HH12 ARG 24 9.151 22.722 33.194 528 HH21 ARG 24 HH21 ARG 24 11.240 25.164 32.182 529 HH22 ARG 24 HH22 ARG 24 9.767 24.236 31.915 530 H LEU 25 H LEU 25 15.202 21.786 32.222 531 HA LEU 25 HA LEU 25 13.140 19.968 31.470 532 HB2 LEU 25 HB2 LEU 25 15.213 21.502 29.874 533 HB3 LEU 25 HB3 LEU 25 13.894 20.604 29.135 534 HG LEU 25 HG LEU 25 13.329 22.784 31.177 535 HD11 LEU 25 HD11 LEU 25 13.574 23.033 28.149 536 HD12 LEU 25 HD12 LEU 25 12.985 24.290 29.278 537 HD13 LEU 25 HD13 LEU 25 14.663 23.748 29.356 538 HD21 LEU 25 HD21 LEU 25 11.154 22.857 30.030 539 HD22 LEU 25 HD22 LEU 25 11.668 21.558 28.929 540 HD23 LEU 25 HD23 LEU 25 11.462 21.242 30.667 541 H LYS 26 H LYS 26 16.722 19.567 31.129 542 HA LYS 26 HA LYS 26 16.623 17.053 29.783 543 HB2 LYS 26 HB2 LYS 26 18.664 18.309 31.660 544 HB3 LYS 26 HB3 LYS 26 18.862 16.675 31.020 545 HG2 LYS 26 HG2 LYS 26 18.626 17.586 28.686 546 HG3 LYS 26 HG3 LYS 26 18.579 19.208 29.353 547 HD2 LYS 26 HD2 LYS 26 20.779 18.598 28.441 548 HD3 LYS 26 HD3 LYS 26 20.868 19.015 30.162 549 HE2 LYS 26 HE2 LYS 26 21.108 16.724 30.817 550 HE3 LYS 26 HE3 LYS 26 20.586 16.129 29.249 551 HZ1 LYS 26 HZ1 LYS 26 22.964 15.949 29.546 552 HZ2 LYS 26 HZ2 LYS 26 22.648 16.902 28.275 553 HZ3 LYS 26 HZ3 LYS 26 23.124 17.602 29.685 554 H LYS 27 H LYS 27 16.265 17.715 33.261 555 HA LYS 27 HA LYS 27 16.185 14.885 34.022 556 HB2 LYS 27 HB2 LYS 27 15.482 17.477 35.450 557 HB3 LYS 27 HB3 LYS 27 15.319 15.877 36.198 558 HG2 LYS 27 HG2 LYS 27 17.657 15.388 35.893 559 HG3 LYS 27 HG3 LYS 27 17.927 16.859 34.949 560 HD2 LYS 27 HD2 LYS 27 17.379 18.243 36.925 561 HD3 LYS 27 HD3 LYS 27 17.173 16.780 37.899 562 HE2 LYS 27 HE2 LYS 27 19.726 17.627 36.441 563 HE3 LYS 27 HE3 LYS 27 19.425 17.843 38.169 564 HZ1 LYS 27 HZ1 LYS 27 19.285 15.441 38.399 565 HZ2 LYS 27 HZ2 LYS 27 19.600 15.215 36.787 566 HZ3 LYS 27 HZ3 LYS 27 20.739 15.868 37.759 567 H LEU 28 H LEU 28 13.690 17.254 33.154 568 HA LEU 28 HA LEU 28 11.498 15.394 33.641 569 HB2 LEU 28 HB2 LEU 28 11.666 17.974 32.043 570 HB3 LEU 28 HB3 LEU 28 10.171 17.099 32.381 571 HG LEU 28 HG LEU 28 11.982 18.246 34.554 572 HD11 LEU 28 HD11 LEU 28 11.016 20.035 33.175 573 HD12 LEU 28 HD12 LEU 28 9.394 19.332 33.380 574 HD13 LEU 28 HD13 LEU 28 10.262 19.984 34.783 575 HD21 LEU 28 HD21 LEU 28 9.994 17.928 35.995 576 HD22 LEU 28 HD22 LEU 28 9.149 17.126 34.653 577 HD23 LEU 28 HD23 LEU 28 10.600 16.393 35.379 578 H VAL 29 H VAL 29 13.552 15.998 30.808 579 HA VAL 29 HA VAL 29 11.917 14.223 29.109 580 HB VAL 29 HB VAL 29 14.540 15.691 28.693 581 HG11 VAL 29 HG11 VAL 29 13.059 13.941 26.686 582 HG12 VAL 29 HG12 VAL 29 14.362 15.084 26.287 583 HG13 VAL 29 HG13 VAL 29 14.707 13.685 27.295 584 HG21 VAL 29 HG21 VAL 29 13.140 16.961 27.047 585 HG22 VAL 29 HG22 VAL 29 11.736 15.989 27.518 586 HG23 VAL 29 HG23 VAL 29 12.502 17.085 28.688 587 H GLY 30 H GLY 30 14.917 13.875 30.988 588 HA2 GLY 30 HA2 GLY 30 15.836 11.778 31.677 589 HA3 GLY 30 HA3 GLY 30 15.007 10.956 30.358 590 H GLU 31 H GLU 31 16.696 13.927 29.619 591 HA GLU 31 HA GLU 31 18.638 12.519 27.900 592 HB2 GLU 31 HB2 GLU 31 17.412 14.429 27.016 593 HB3 GLU 31 HB3 GLU 31 17.967 15.443 28.335 594 HG2 GLU 31 HG2 GLU 31 19.150 15.988 26.296 595 HG3 GLU 31 HG3 GLU 31 20.276 15.342 27.476 596 H ARG 32 H ARG 32 20.870 12.505 28.208 597 HA ARG 32 HA ARG 32 21.272 12.115 31.058 598 HB2 ARG 32 HB2 ARG 32 22.778 11.198 28.589 599 HB3 ARG 32 HB3 ARG 32 23.385 10.894 30.221 600 HG2 ARG 32 HG2 ARG 32 21.183 9.849 30.823 601 HG3 ARG 32 HG3 ARG 32 20.702 9.967 29.118 602 HD2 ARG 32 HD2 ARG 32 22.542 8.513 28.457 603 HD3 ARG 32 HD3 ARG 32 23.217 8.538 30.088 604 HE ARG 32 HE ARG 32 20.739 7.150 29.184 605 HH11 ARG 32 HH11 ARG 32 23.304 7.289 31.603 606 HH12 ARG 32 HH12 ARG 32 22.607 5.949 32.482 607 HH21 ARG 32 HH21 ARG 32 19.844 5.626 30.496 608 HH22 ARG 32 HH22 ARG 32 20.713 5.084 31.907 609 H1 GLY 0 H1 GLY 0 42.314 43.684 18.495 610 H2 GLY 0 H2 GLY 0 43.210 44.859 17.776 611 H3 GLY 0 H3 GLY 0 41.560 44.845 17.630 612 HA2 GLY 0 HA2 GLY 0 43.023 45.235 20.156 613 HA3 GLY 0 HA3 GLY 0 42.321 46.536 19.179 614 H MET 1 H MET 1 40.419 47.228 19.875 615 HA MET 1 HA MET 1 38.944 46.282 21.965 616 HB2 MET 1 HB2 MET 1 37.197 47.798 21.280 617 HB3 MET 1 HB3 MET 1 38.758 48.526 20.917 618 HG2 MET 1 HG2 MET 1 38.517 47.956 18.543 619 HG3 MET 1 HG3 MET 1 37.009 47.094 18.869 620 HE1 MET 1 HE1 MET 1 35.854 50.167 16.755 621 HE2 MET 1 HE2 MET 1 37.360 49.246 16.594 622 HE3 MET 1 HE3 MET 1 35.823 48.403 16.898 623 H ASP 2 H ASP 2 38.765 44.848 18.801 624 HA ASP 2 HA ASP 2 36.192 43.658 18.918 625 HB2 ASP 2 HB2 ASP 2 37.188 42.001 17.300 626 HB3 ASP 2 HB3 ASP 2 37.294 43.693 16.850 627 H ALA 3 H ALA 3 39.052 42.817 20.810 628 HA ALA 3 HA ALA 3 38.377 40.140 21.479 629 HB1 ALA 3 HB1 ALA 3 39.566 40.634 23.594 630 HB2 ALA 3 HB2 ALA 3 40.439 41.284 22.193 631 HB3 ALA 3 HB3 ALA 3 39.496 42.373 23.234 632 H ILE 4 H ILE 4 36.910 43.198 22.635 633 HA ILE 4 HA ILE 4 35.122 41.853 24.535 634 HB ILE 4 HB ILE 4 35.198 44.703 23.483 635 HG12 ILE 4 HG12 ILE 4 35.980 43.618 26.234 636 HG13 ILE 4 HG13 ILE 4 37.144 43.871 24.936 637 HG21 ILE 4 HG21 ILE 4 32.894 44.146 24.197 638 HG22 ILE 4 HG22 ILE 4 33.508 43.498 25.729 639 HG23 ILE 4 HG23 ILE 4 33.628 45.228 25.363 640 HD11 ILE 4 HD11 ILE 4 37.222 45.761 26.426 641 HD12 ILE 4 HD12 ILE 4 36.592 46.269 24.850 642 HD13 ILE 4 HD13 ILE 4 35.491 46.055 26.231 643 H LYS 5 H LYS 5 34.827 43.192 21.225 644 HA LYS 5 HA LYS 5 32.039 42.629 20.817 645 HB2 LYS 5 HB2 LYS 5 34.298 42.526 18.766 646 HB3 LYS 5 HB3 LYS 5 32.577 42.554 18.405 647 HG2 LYS 5 HG2 LYS 5 32.337 44.802 19.336 648 HG3 LYS 5 HG3 LYS 5 34.012 44.788 19.895 649 HD2 LYS 5 HD2 LYS 5 33.858 46.141 17.906 650 HD3 LYS 5 HD3 LYS 5 34.827 44.708 17.568 651 HE2 LYS 5 HE2 LYS 5 32.803 43.645 16.494 652 HE3 LYS 5 HE3 LYS 5 31.931 45.168 16.749 653 HZ1 LYS 5 HZ1 LYS 5 34.417 44.888 15.112 654 HZ2 LYS 5 HZ2 LYS 5 32.893 45.129 14.524 655 HZ3 LYS 5 HZ3 LYS 5 33.606 46.285 15.371 656 H LYS 6 H LYS 6 34.885 40.543 20.358 657 HA LYS 6 HA LYS 6 33.503 38.161 19.559 658 HB2 LYS 6 HB2 LYS 6 36.184 38.635 20.917 659 HB3 LYS 6 HB3 LYS 6 35.635 37.041 20.386 660 HG2 LYS 6 HG2 LYS 6 35.597 37.680 18.082 661 HG3 LYS 6 HG3 LYS 6 35.795 39.394 18.454 662 HD2 LYS 6 HD2 LYS 6 38.047 38.847 19.480 663 HD3 LYS 6 HD3 LYS 6 37.815 37.179 18.893 664 HE2 LYS 6 HE2 LYS 6 37.646 38.011 16.582 665 HE3 LYS 6 HE3 LYS 6 37.830 39.675 17.153 666 HZ1 LYS 6 HZ1 LYS 6 40.062 39.123 17.929 667 HZ2 LYS 6 HZ2 LYS 6 39.907 37.571 17.463 668 HZ3 LYS 6 HZ3 LYS 6 39.896 38.793 16.338 669 H LYS 7 H LYS 7 34.609 39.140 22.886 670 HA LYS 7 HA LYS 7 33.531 36.896 24.239 671 HB2 LYS 7 HB2 LYS 7 35.032 38.601 25.260 672 HB3 LYS 7 HB3 LYS 7 33.700 39.768 25.266 673 HG2 LYS 7 HG2 LYS 7 32.424 38.350 26.823 674 HG3 LYS 7 HG3 LYS 7 33.655 37.097 26.751 675 HD2 LYS 7 HD2 LYS 7 35.300 38.634 27.827 676 HD3 LYS 7 HD3 LYS 7 34.092 39.921 27.789 677 HE2 LYS 7 HE2 LYS 7 33.805 39.275 29.949 678 HE3 LYS 7 HE3 LYS 7 32.609 38.230 29.192 679 HZ1 LYS 7 HZ1 LYS 7 33.989 37.057 30.799 680 HZ2 LYS 7 HZ2 LYS 7 34.315 36.412 29.337 681 HZ3 LYS 7 HZ3 LYS 7 35.374 37.446 30.014 682 H MET 8 H MET 8 31.829 39.954 23.405 683 HA MET 8 HA MET 8 29.353 39.013 24.545 684 HB2 MET 8 HB2 MET 8 30.081 41.435 24.211 685 HB3 MET 8 HB3 MET 8 29.609 41.250 22.510 686 HG2 MET 8 HG2 MET 8 27.312 40.589 23.259 687 HG3 MET 8 HG3 MET 8 27.843 40.720 24.936 688 HE1 MET 8 HE1 MET 8 26.572 44.113 22.144 689 HE2 MET 8 HE2 MET 8 27.796 42.945 21.600 690 HE3 MET 8 HE3 MET 8 26.158 42.395 22.026 691 H GLN 9 H GLN 9 30.474 39.097 21.095 692 HA GLN 9 HA GLN 9 28.003 38.093 20.048 693 HB2 GLN 9 HB2 GLN 9 29.827 39.271 18.747 694 HB3 GLN 9 HB3 GLN 9 30.780 37.784 18.853 695 HG2 GLN 9 HG2 GLN 9 28.782 36.605 17.703 696 HG3 GLN 9 HG3 GLN 9 28.095 38.211 17.462 697 HE21 GLN 9 HE21 GLN 9 29.764 38.030 14.303 698 HE22 GLN 9 HE22 GLN 9 28.235 38.219 15.141 699 H MET 10 H MET 10 30.960 36.378 21.165 700 HA MET 10 HA MET 10 30.129 33.733 20.493 701 HB2 MET 10 HB2 MET 10 32.414 34.304 21.085 702 HB3 MET 10 HB3 MET 10 31.930 34.769 22.721 703 HG2 MET 10 HG2 MET 10 31.373 32.516 23.309 704 HG3 MET 10 HG3 MET 10 31.517 31.963 21.639 705 HE1 MET 10 HE1 MET 10 33.641 31.235 20.475 706 HE2 MET 10 HE2 MET 10 34.137 32.941 20.414 707 HE3 MET 10 HE3 MET 10 35.282 31.703 20.966 708 H LEU 11 H LEU 11 29.685 35.572 23.592 709 HA LEU 11 HA LEU 11 28.125 33.565 24.836 710 HB2 LEU 11 HB2 LEU 11 29.221 35.433 26.003 711 HB3 LEU 11 HB3 LEU 11 28.122 36.580 25.233 712 HG LEU 11 HG LEU 11 26.197 35.561 26.428 713 HD11 LEU 11 HD11 LEU 11 28.321 33.796 27.725 714 HD12 LEU 11 HD12 LEU 11 26.650 33.994 28.325 715 HD13 LEU 11 HD13 LEU 11 26.935 33.257 26.749 716 HD21 LEU 11 HD21 LEU 11 26.763 36.370 28.651 717 HD22 LEU 11 HD22 LEU 11 28.502 36.272 28.284 718 HD23 LEU 11 HD23 LEU 11 27.472 37.440 27.429 719 H LYS 12 H LYS 12 27.077 36.175 22.602 720 HA LYS 12 HA LYS 12 24.255 35.644 22.892 721 HB2 LYS 12 HB2 LYS 12 25.154 37.716 21.893 722 HB3 LYS 12 HB3 LYS 12 25.744 36.814 20.495 723 HG2 LYS 12 HG2 LYS 12 23.554 36.309 19.739 724 HG3 LYS 12 HG3 LYS 12 22.825 36.657 21.316 725 HD2 LYS 12 HD2 LYS 12 23.228 39.039 21.060 726 HD3 LYS 12 HD3 LYS 12 24.050 38.778 19.499 727 HE2 LYS 12 HE2 LYS 12 22.045 37.999 18.452 728 HE3 LYS 12 HE3 LYS 12 21.236 37.755 20.000 729 HZ1 LYS 12 HZ1 LYS 12 21.085 40.064 20.344 730 HZ2 LYS 12 HZ2 LYS 12 22.002 40.434 19.023 731 HZ3 LYS 12 HZ3 LYS 12 20.501 39.769 18.825 732 H LEU 13 H LEU 13 26.658 34.286 20.606 733 HA LEU 13 HA LEU 13 24.783 32.509 19.304 734 HB2 LEU 13 HB2 LEU 13 27.806 32.412 19.636 735 HB3 LEU 13 HB3 LEU 13 26.902 31.284 18.632 736 HG LEU 13 HG LEU 13 26.851 34.307 18.189 737 HD11 LEU 13 HD11 LEU 13 28.544 32.188 16.806 738 HD12 LEU 13 HD12 LEU 13 28.432 33.901 16.348 739 HD13 LEU 13 HD13 LEU 13 29.139 33.448 17.904 740 HD21 LEU 13 HD21 LEU 13 26.054 33.672 15.930 741 HD22 LEU 13 HD22 LEU 13 26.018 31.966 16.424 742 HD23 LEU 13 HD23 LEU 13 24.933 33.147 17.186 743 H ASP 14 H ASP 14 26.908 32.069 22.161 744 HA ASP 14 HA ASP 14 26.195 29.379 22.724 745 HB2 ASP 14 HB2 ASP 14 26.909 31.650 24.621 746 HB3 ASP 14 HB3 ASP 14 26.824 29.966 25.079 747 H ASN 15 H ASN 15 24.596 32.385 23.897 748 HA ASN 15 HA ASN 15 22.461 31.063 25.256 749 HB2 ASN 15 HB2 ASN 15 22.660 33.818 23.973 750 HB3 ASN 15 HB3 ASN 15 21.289 33.290 24.952 751 HD21 ASN 15 HD21 ASN 15 23.438 35.149 27.238 752 HD22 ASN 15 HD22 ASN 15 22.540 35.521 25.788 753 H TYR 16 H TYR 16 22.759 31.995 21.818 754 HA TYR 16 HA TYR 16 20.057 31.388 21.071 755 HB2 TYR 16 HB2 TYR 16 21.651 32.822 19.835 756 HB3 TYR 16 HB3 TYR 16 22.634 31.421 19.458 757 HD1 TYR 16 HD1 TYR 16 22.022 29.875 17.687 758 HD2 TYR 16 HD2 TYR 16 19.416 33.128 18.792 759 HE1 TYR 16 HE1 TYR 16 20.831 29.677 15.503 760 HE2 TYR 16 HE2 TYR 16 18.263 32.953 16.600 761 HH TYR 16 HH TYR 16 18.824 32.189 14.346 762 H HIS 17 H HIS 17 23.009 29.332 21.109 763 HA HIS 17 HA HIS 17 21.563 26.996 20.116 764 HB2 HIS 17 HB2 HIS 17 24.292 27.273 21.367 765 HB3 HIS 17 HB3 HIS 17 23.615 25.759 20.746 766 HD2 HIS 17 HD2 HIS 17 25.780 28.460 19.637 767 HE1 HIS 17 HE1 HIS 17 23.959 27.193 16.005 768 HE2 HIS 17 HE2 HIS 17 25.826 28.600 17.011 769 H LEU 18 H LEU 18 22.414 28.170 23.403 770 HA LEU 18 HA LEU 18 21.289 25.974 24.863 771 HB2 LEU 18 HB2 LEU 18 21.776 28.908 25.368 772 HB3 LEU 18 HB3 LEU 18 20.733 28.046 26.476 773 HG LEU 18 HG LEU 18 23.492 26.973 25.834 774 HD11 LEU 18 HD11 LEU 18 24.306 28.121 27.860 775 HD12 LEU 18 HD12 LEU 18 23.799 29.279 26.618 776 HD13 LEU 18 HD13 LEU 18 22.749 28.963 28.022 777 HD21 LEU 18 HD21 LEU 18 21.610 26.711 28.236 778 HD22 LEU 18 HD22 LEU 18 21.924 25.458 27.017 779 HD23 LEU 18 HD23 LEU 18 23.217 25.981 28.115 780 H GLU 19 H GLU 19 19.680 28.999 23.699 781 HA GLU 19 HA GLU 19 17.044 28.311 24.513 782 HB2 GLU 19 HB2 GLU 19 17.704 30.560 23.821 783 HB3 GLU 19 HB3 GLU 19 18.075 29.988 22.200 784 HG2 GLU 19 HG2 GLU 19 16.007 31.194 22.156 785 HG3 GLU 19 HG3 GLU 19 15.692 29.510 21.779 786 H ASN 20 H ASN 20 18.880 27.313 21.631 787 HA ASN 20 HA ASN 20 16.635 26.030 20.346 788 HB2 ASN 20 HB2 ASN 20 19.564 26.296 19.878 789 HB3 ASN 20 HB3 ASN 20 18.862 24.791 19.295 790 HD21 ASN 20 HD21 ASN 20 17.601 28.325 17.637 791 HD22 ASN 20 HD22 ASN 20 18.681 28.330 19.032 792 H GLU 21 H GLU 21 19.094 24.761 22.646 793 HA GLU 21 HA GLU 21 18.002 22.058 22.526 794 HB2 GLU 21 HB2 GLU 21 20.295 22.428 23.270 795 HB3 GLU 21 HB3 GLU 21 19.744 23.474 24.575 796 HG2 GLU 21 HG2 GLU 21 20.377 21.313 25.463 797 HG3 GLU 21 HG3 GLU 21 18.660 21.589 25.700 798 H VAL 22 H VAL 22 17.441 24.892 24.657 799 HA VAL 22 HA VAL 22 15.424 23.709 26.306 800 HB VAL 22 HB VAL 22 15.937 26.562 25.418 801 HG11 VAL 22 HG11 VAL 22 14.380 27.265 27.243 802 HG12 VAL 22 HG12 VAL 22 13.563 26.535 25.865 803 HG13 VAL 22 HG13 VAL 22 13.809 25.587 27.356 804 HG21 VAL 22 HG21 VAL 22 17.560 25.503 26.990 805 HG22 VAL 22 HG22 VAL 22 16.673 26.826 27.748 806 HG23 VAL 22 HG23 VAL 22 16.230 25.144 28.109 807 H ALA 23 H ALA 23 15.084 25.308 23.084 808 HA ALA 23 HA ALA 23 12.293 24.833 22.835 809 HB1 ALA 23 HB1 ALA 23 12.700 25.265 20.440 810 HB2 ALA 23 HB2 ALA 23 13.547 26.440 21.469 811 HB3 ALA 23 HB3 ALA 23 14.446 25.115 20.698 812 H ARG 24 H ARG 24 15.036 22.639 22.098 813 HA ARG 24 HA ARG 24 13.442 20.582 20.811 814 HB2 ARG 24 HB2 ARG 24 15.960 20.753 20.691 815 HB3 ARG 24 HB3 ARG 24 16.053 20.263 22.382 816 HG2 ARG 24 HG2 ARG 24 14.932 18.099 21.806 817 HG3 ARG 24 HG3 ARG 24 14.833 18.627 20.123 818 HD2 ARG 24 HD2 ARG 24 16.663 17.151 20.212 819 HD3 ARG 24 HD3 ARG 24 17.368 18.764 20.098 820 HE ARG 24 HE ARG 24 17.940 18.675 22.468 821 HH11 ARG 24 HH11 ARG 24 17.681 15.532 20.904 822 HH12 ARG 24 HH12 ARG 24 18.328 14.752 22.335 823 HH21 ARG 24 HH21 ARG 24 18.788 17.577 24.129 824 HH22 ARG 24 HH22 ARG 24 19.020 15.828 24.010 825 H LEU 25 H LEU 25 14.626 20.929 24.169 826 HA LEU 25 HA LEU 25 13.215 18.619 25.115 827 HB2 LEU 25 HB2 LEU 25 14.310 20.979 26.669 828 HB3 LEU 25 HB3 LEU 25 13.866 19.404 27.337 829 HG LEU 25 HG LEU 25 16.087 19.748 25.277 830 HD11 LEU 25 HD11 LEU 25 17.629 19.642 27.160 831 HD12 LEU 25 HD12 LEU 25 16.567 21.041 27.323 832 HD13 LEU 25 HD13 LEU 25 16.275 19.590 28.314 833 HD21 LEU 25 HD21 LEU 25 15.187 17.448 25.471 834 HD22 LEU 25 HD22 LEU 25 16.837 17.580 26.085 835 HD23 LEU 25 HD23 LEU 25 15.484 17.492 27.232 836 H LYS 26 H LYS 26 12.324 22.125 25.359 837 HA LYS 26 HA LYS 26 9.963 21.782 26.921 838 HB2 LYS 26 HB2 LYS 26 10.750 23.901 24.892 839 HB3 LYS 26 HB3 LYS 26 9.158 23.887 25.644 840 HG2 LYS 26 HG2 LYS 26 10.153 23.924 27.899 841 HG3 LYS 26 HG3 LYS 26 11.763 24.040 27.172 842 HD2 LYS 26 HD2 LYS 26 11.166 26.161 26.098 843 HD3 LYS 26 HD3 LYS 26 9.512 26.055 26.707 844 HE2 LYS 26 HE2 LYS 26 11.944 26.100 28.551 845 HE3 LYS 26 HE3 LYS 26 11.174 27.576 27.970 846 HZ1 LYS 26 HZ1 LYS 26 10.415 26.817 30.152 847 HZ2 LYS 26 HZ2 LYS 26 9.169 26.997 29.071 848 HZ3 LYS 26 HZ3 LYS 26 9.698 25.501 29.524 849 H LYS 27 H LYS 27 10.411 21.182 23.445 850 HA LYS 27 HA LYS 27 7.554 20.951 22.971 851 HB2 LYS 27 HB2 LYS 27 9.170 21.418 21.136 852 HB3 LYS 27 HB3 LYS 27 9.864 19.805 21.339 853 HG2 LYS 27 HG2 LYS 27 8.286 19.923 19.440 854 HG3 LYS 27 HG3 LYS 27 7.745 18.765 20.653 855 HD2 LYS 27 HD2 LYS 27 6.074 20.390 21.502 856 HD3 LYS 27 HD3 LYS 27 6.742 21.628 20.431 857 HE2 LYS 27 HE2 LYS 27 4.730 20.847 19.446 858 HE3 LYS 27 HE3 LYS 27 6.053 20.206 18.465 859 HZ1 LYS 27 HZ1 LYS 27 4.606 18.695 20.581 860 HZ2 LYS 27 HZ2 LYS 27 4.292 18.595 18.981 861 HZ3 LYS 27 HZ3 LYS 27 5.751 18.071 19.535 862 H LEU 28 H LEU 28 10.076 18.576 23.806 863 HA LEU 28 HA LEU 28 8.384 16.261 23.631 864 HB2 LEU 28 HB2 LEU 28 10.856 16.784 25.329 865 HB3 LEU 28 HB3 LEU 28 10.136 15.203 25.067 866 HG LEU 28 HG LEU 28 11.291 16.953 22.844 867 HD11 LEU 28 HD11 LEU 28 12.480 14.522 24.239 868 HD12 LEU 28 HD12 LEU 28 13.183 15.393 22.861 869 HD13 LEU 28 HD13 LEU 28 13.027 16.204 24.424 870 HD21 LEU 28 HD21 LEU 28 11.231 14.848 21.525 871 HD22 LEU 28 HD22 LEU 28 10.392 14.036 22.861 872 HD23 LEU 28 HD23 LEU 28 9.611 15.373 21.987 873 H VAL 29 H VAL 29 9.088 18.427 26.407 874 HA VAL 29 HA VAL 29 7.081 17.029 28.053 875 HB VAL 29 HB VAL 29 7.615 18.560 29.839 876 HG11 VAL 29 HG11 VAL 29 9.062 16.599 29.531 877 HG12 VAL 29 HG12 VAL 29 10.140 17.532 28.470 878 HG13 VAL 29 HG13 VAL 29 9.965 17.974 30.175 879 HG21 VAL 29 HG21 VAL 29 8.070 20.605 28.391 880 HG22 VAL 29 HG22 VAL 29 9.224 20.314 29.690 881 HG23 VAL 29 HG23 VAL 29 9.657 19.900 28.023 882 H GLY 30 H GLY 30 6.474 18.930 25.519 883 HA2 GLY 30 HA2 GLY 30 4.646 20.124 24.863 884 HA3 GLY 30 HA3 GLY 30 3.812 19.486 26.275 885 H GLU 31 H GLU 31 6.611 21.512 26.888 886 HA GLU 31 HA GLU 31 4.919 23.692 27.979 887 HB2 GLU 31 HB2 GLU 31 7.907 23.143 28.033 888 HB3 GLU 31 HB3 GLU 31 7.172 24.649 28.590 889 HG2 GLU 31 HG2 GLU 31 5.765 23.339 30.202 890 HG3 GLU 31 HG3 GLU 31 6.675 21.886 29.766 891 H ARG 32 H ARG 32 6.358 23.017 25.004 892 HA ARG 32 HA ARG 32 7.327 25.601 24.216 893 HB2 ARG 32 HB2 ARG 32 8.171 23.452 23.325 894 HB3 ARG 32 HB3 ARG 32 6.609 23.148 22.554 895 HG2 ARG 32 HG2 ARG 32 8.331 23.925 20.989 896 HG3 ARG 32 HG3 ARG 32 6.957 24.971 20.994 897 HD2 ARG 32 HD2 ARG 32 9.463 25.588 22.658 898 HD3 ARG 32 HD3 ARG 32 9.323 26.037 20.946 899 HE ARG 32 HE ARG 32 7.210 26.906 22.801 900 HH11 ARG 32 HH11 ARG 32 9.627 28.056 20.546 901 HH12 ARG 32 HH12 ARG 32 8.705 29.520 20.281 902 HH21 ARG 32 HH21 ARG 32 6.134 28.523 22.404 903 HH22 ARG 32 HH22 ARG 32 6.726 29.764 21.310 Start of MODEL 3 1 H1 SER 2 H1 SER 2 18.850 21.151 14.217 2 H2 SER 2 H2 SER 2 18.098 19.820 13.670 3 H3 SER 2 H3 SER 2 19.737 19.794 13.852 4 HA SER 2 HA SER 2 17.770 20.077 16.011 5 HB2 SER 2 HB2 SER 2 17.771 17.805 15.074 6 HB3 SER 2 HB3 SER 2 19.528 17.698 15.318 7 HG SER 2 HG SER 2 18.306 16.749 17.005 8 H THR 3 H THR 3 18.566 20.544 18.032 9 HA THR 3 HA THR 3 21.449 21.099 18.409 10 HB THR 3 HB THR 3 20.621 21.942 20.637 11 HG1 THR 3 HG1 THR 3 18.727 21.336 21.148 12 HG21 THR 3 HG21 THR 3 19.190 23.174 18.243 13 HG22 THR 3 HG22 THR 3 19.569 23.960 19.787 14 HG23 THR 3 HG23 THR 3 20.883 23.489 18.696 15 H PHE 4 H PHE 4 19.509 18.317 18.692 16 HA PHE 4 HA PHE 4 20.286 17.325 21.247 17 HB2 PHE 4 HB2 PHE 4 18.465 16.340 19.959 18 HB3 PHE 4 HB3 PHE 4 19.596 15.872 18.693 19 HD1 PHE 4 HD1 PHE 4 18.499 15.130 22.166 20 HD2 PHE 4 HD2 PHE 4 21.009 13.904 18.885 21 HE1 PHE 4 HE1 PHE 4 18.810 12.921 23.230 22 HE2 PHE 4 HE2 PHE 4 21.339 11.698 19.967 23 HZ PHE 4 HZ PHE 4 20.230 11.190 22.127 24 H GLY 5 H GLY 5 22.150 16.765 22.011 25 HA2 GLY 5 HA2 GLY 5 24.175 15.460 22.080 26 HA3 GLY 5 HA3 GLY 5 24.336 15.630 20.334 27 H TYR 6 H TYR 6 23.595 18.644 20.748 28 HA TYR 6 HA TYR 6 26.352 19.579 20.901 29 HB2 TYR 6 HB2 TYR 6 24.684 20.267 19.168 30 HB3 TYR 6 HB3 TYR 6 23.738 21.051 20.427 31 HD1 TYR 6 HD1 TYR 6 27.201 21.054 18.947 32 HD2 TYR 6 HD2 TYR 6 24.035 23.332 20.802 33 HE1 TYR 6 HE1 TYR 6 28.544 23.141 18.698 34 HE2 TYR 6 HE2 TYR 6 25.358 25.409 20.515 35 HH TYR 6 HH TYR 6 27.390 26.290 19.894 36 H ARG 7 H ARG 7 26.763 21.678 22.023 37 HA ARG 7 HA ARG 7 27.265 22.862 23.853 38 HB2 ARG 7 HB2 ARG 7 25.181 23.776 22.951 39 HB3 ARG 7 HB3 ARG 7 24.237 22.820 24.080 40 HG2 ARG 7 HG2 ARG 7 24.460 25.231 24.648 41 HG3 ARG 7 HG3 ARG 7 24.987 24.155 25.935 42 HD2 ARG 7 HD2 ARG 7 27.370 24.583 25.327 43 HD3 ARG 7 HD3 ARG 7 26.844 25.543 23.942 44 HE ARG 7 HE ARG 7 26.687 27.343 25.314 45 HH11 ARG 7 HH11 ARG 7 26.423 24.574 27.539 46 HH12 ARG 7 HH12 ARG 7 26.174 25.705 28.885 47 HH21 ARG 7 HH21 ARG 7 26.422 28.550 27.111 48 HH22 ARG 7 HH22 ARG 7 26.254 27.732 28.686 49 H ARG 8 H ARG 8 26.072 19.885 24.711 50 HA ARG 8 HA ARG 8 25.904 20.135 27.546 51 HB2 ARG 8 HB2 ARG 8 25.637 17.713 27.518 52 HB3 ARG 8 HB3 ARG 8 24.707 18.472 26.233 53 HG2 ARG 8 HG2 ARG 8 26.552 17.871 24.603 54 HG3 ARG 8 HG3 ARG 8 27.356 16.987 25.915 55 HD2 ARG 8 HD2 ARG 8 25.365 15.547 26.167 56 HD3 ARG 8 HD3 ARG 8 24.527 16.461 24.908 57 HE ARG 8 HE ARG 8 26.244 15.707 23.283 58 HH11 ARG 8 HH11 ARG 8 25.815 13.656 26.143 59 HH12 ARG 8 HH12 ARG 8 26.759 12.400 25.460 60 HH21 ARG 8 HH21 ARG 8 26.979 13.761 22.365 61 HH22 ARG 8 HH22 ARG 8 27.411 12.469 23.448 62 H GLY 9 H GLY 9 28.653 20.884 26.320 63 HA2 GLY 9 HA2 GLY 9 30.516 19.273 27.925 64 HA3 GLY 9 HA3 GLY 9 30.871 20.772 27.065 65 H LEU 10 H LEU 10 31.989 20.636 29.449 66 HA LEU 10 HA LEU 10 30.434 21.375 31.722 67 HB2 LEU 10 HB2 LEU 10 33.365 22.005 31.211 68 HB3 LEU 10 HB3 LEU 10 32.563 21.920 32.775 69 HG LEU 10 HG LEU 10 33.073 19.570 30.897 70 HD11 LEU 10 HD11 LEU 10 34.647 18.843 32.630 71 HD12 LEU 10 HD12 LEU 10 35.094 20.443 32.014 72 HD13 LEU 10 HD13 LEU 10 34.291 20.290 33.595 73 HD21 LEU 10 HD21 LEU 10 31.014 19.176 32.179 74 HD22 LEU 10 HD22 LEU 10 32.319 18.159 32.795 75 HD23 LEU 10 HD23 LEU 10 31.838 19.619 33.689 76 H SER 11 H SER 11 29.995 23.319 32.734 77 HA SER 11 HA SER 11 30.682 25.904 31.448 78 HB2 SER 11 HB2 SER 11 28.624 25.094 30.345 79 HB3 SER 11 HB3 SER 11 27.838 24.939 31.930 80 HG SER 11 HG SER 11 27.316 26.903 30.918 81 H LYS 12 H LYS 12 29.911 27.768 32.801 82 HA LYS 12 HA LYS 12 29.086 27.405 35.515 83 HB2 LYS 12 HB2 LYS 12 31.552 26.741 35.651 84 HB3 LYS 12 HB3 LYS 12 31.963 28.406 35.255 85 HG2 LYS 12 HG2 LYS 12 30.950 29.217 37.303 86 HG3 LYS 12 HG3 LYS 12 30.158 27.654 37.601 87 HD2 LYS 12 HD2 LYS 12 32.357 26.581 37.914 88 HD3 LYS 12 HD3 LYS 12 33.167 28.135 37.618 89 HE2 LYS 12 HE2 LYS 12 32.100 29.120 39.586 90 HE3 LYS 12 HE3 LYS 12 31.125 27.658 39.840 91 HZ1 LYS 12 HZ1 LYS 12 33.145 26.420 40.252 92 HZ2 LYS 12 HZ2 LYS 12 34.085 27.715 39.929 93 HZ3 LYS 12 HZ3 LYS 12 33.143 27.720 41.273 94 H TYR 13 H TYR 13 28.470 29.343 36.516 95 HA TYR 13 HA TYR 13 28.818 31.870 34.962 96 HB2 TYR 13 HB2 TYR 13 26.511 31.290 34.904 97 HB3 TYR 13 HB3 TYR 13 26.486 30.902 36.619 98 HD1 TYR 13 HD1 TYR 13 26.318 32.624 38.333 99 HD2 TYR 13 HD2 TYR 13 26.521 33.691 34.157 100 HE1 TYR 13 HE1 TYR 13 25.637 34.944 38.894 101 HE2 TYR 13 HE2 TYR 13 25.803 36.010 34.724 102 HH TYR 13 HH TYR 13 24.671 36.903 37.917 103 H GLU 14 H GLU 14 29.639 33.527 35.855 104 HA GLU 14 HA GLU 14 29.203 34.181 38.642 105 HB2 GLU 14 HB2 GLU 14 31.381 35.080 39.056 106 HB3 GLU 14 HB3 GLU 14 31.566 33.377 38.672 107 HG2 GLU 14 HG2 GLU 14 32.028 35.646 36.666 108 HG3 GLU 14 HG3 GLU 14 33.283 34.975 37.675 109 H SER 15 H SER 15 29.737 36.777 38.744 110 HA SER 15 HA SER 15 28.164 37.897 36.535 111 HB2 SER 15 HB2 SER 15 28.020 39.866 37.750 112 HB3 SER 15 HB3 SER 15 27.958 38.581 38.957 113 HG SER 15 HG SER 15 30.326 38.990 39.169 114 H ILE 16 H ILE 16 29.042 40.232 35.795 115 HA ILE 16 HA ILE 16 31.050 39.790 33.909 116 HB ILE 16 HB ILE 16 29.259 41.443 33.750 117 HG12 ILE 16 HG12 ILE 16 30.443 43.354 32.785 118 HG13 ILE 16 HG13 ILE 16 31.969 42.804 33.466 119 HG21 ILE 16 HG21 ILE 16 29.416 43.629 34.912 120 HG22 ILE 16 HG22 ILE 16 29.228 42.300 36.053 121 HG23 ILE 16 HG23 ILE 16 30.825 43.028 35.823 122 HD11 ILE 16 HD11 ILE 16 31.858 40.770 32.041 123 HD12 ILE 16 HD12 ILE 16 30.254 41.265 31.455 124 HD13 ILE 16 HD13 ILE 16 31.691 42.233 31.061 125 H ASP 17 H ASP 17 33.116 40.463 33.584 126 HA ASP 17 HA ASP 17 34.952 40.186 35.676 127 HB2 ASP 17 HB2 ASP 17 35.478 41.317 32.916 128 HB3 ASP 17 HB3 ASP 17 36.614 40.462 33.954 129 H GLU 18 H GLU 18 36.929 41.623 35.843 130 HA GLU 18 HA GLU 18 36.273 43.982 37.303 131 HB2 GLU 18 HB2 GLU 18 38.925 42.970 36.199 132 HB3 GLU 18 HB3 GLU 18 38.763 44.244 37.398 133 HG2 GLU 18 HG2 GLU 18 37.858 41.341 37.762 134 HG3 GLU 18 HG3 GLU 18 39.348 42.035 38.379 135 H ASP 19 H ASP 19 36.295 46.139 36.849 136 HA ASP 19 HA ASP 19 35.791 47.046 34.280 137 HB2 ASP 19 HB2 ASP 19 36.895 48.797 36.501 138 HB3 ASP 19 HB3 ASP 19 35.818 49.273 35.191 139 H GLU 20 H GLU 20 38.919 46.871 35.846 140 HA GLU 20 HA GLU 20 40.430 48.599 34.156 141 HB2 GLU 20 HB2 GLU 20 41.410 46.100 35.587 142 HB3 GLU 20 HB3 GLU 20 42.376 47.484 35.090 143 HG2 GLU 20 HG2 GLU 20 40.320 47.313 37.307 144 HG3 GLU 20 HG3 GLU 20 42.043 47.648 37.454 145 H LEU 21 H LEU 21 39.167 45.409 33.497 146 HA LEU 21 HA LEU 21 41.006 44.717 31.364 147 HB2 LEU 21 HB2 LEU 21 39.607 43.076 32.604 148 HB3 LEU 21 HB3 LEU 21 38.152 43.835 31.962 149 HG LEU 21 HG LEU 21 38.804 43.173 29.656 150 HD11 LEU 21 HD11 LEU 21 41.252 43.048 29.868 151 HD12 LEU 21 HD12 LEU 21 41.106 41.736 31.056 152 HD13 LEU 21 HD13 LEU 21 40.612 41.472 29.373 153 HD21 LEU 21 HD21 LEU 21 37.353 41.724 31.027 154 HD22 LEU 21 HD22 LEU 21 38.378 40.762 29.947 155 HD23 LEU 21 HD23 LEU 21 38.778 40.890 31.675 156 H LEU 22 H LEU 22 37.916 46.494 31.538 157 HA LEU 22 HA LEU 22 37.691 46.930 28.648 158 HB2 LEU 22 HB2 LEU 22 36.390 48.349 31.011 159 HB3 LEU 22 HB3 LEU 22 35.956 48.583 29.322 160 HG LEU 22 HG LEU 22 35.647 45.961 30.857 161 HD11 LEU 22 HD11 LEU 22 33.574 48.021 29.987 162 HD12 LEU 22 HD12 LEU 22 33.243 46.460 30.774 163 HD13 LEU 22 HD13 LEU 22 34.121 47.724 31.653 164 HD21 LEU 22 HD21 LEU 22 34.255 45.288 28.913 165 HD22 LEU 22 HD22 LEU 22 34.700 46.792 28.077 166 HD23 LEU 22 HD23 LEU 22 35.933 45.563 28.443 167 H ALA 23 H ALA 23 39.078 48.704 31.402 168 HA ALA 23 HA ALA 23 39.703 51.103 30.065 169 HB1 ALA 23 HB1 ALA 23 41.237 51.487 31.932 170 HB2 ALA 23 HB2 ALA 23 39.743 50.738 32.529 171 HB3 ALA 23 HB3 ALA 23 41.221 49.769 32.340 172 H SER 24 H SER 24 41.123 48.043 29.414 173 HA SER 24 HA SER 24 43.685 48.988 28.413 174 HB2 SER 24 HB2 SER 24 43.911 46.817 27.433 175 HB3 SER 24 HB3 SER 24 43.257 46.630 29.065 176 HG SER 24 HG SER 24 41.260 46.125 28.206 177 H LEU 25 H LEU 25 40.435 49.026 27.057 178 HA LEU 25 HA LEU 25 41.279 49.174 24.278 179 HB2 LEU 25 HB2 LEU 25 38.634 49.839 25.627 180 HB3 LEU 25 HB3 LEU 25 38.886 49.796 23.886 181 HG LEU 25 HG LEU 25 39.131 47.402 25.766 182 HD11 LEU 25 HD11 LEU 25 37.033 48.159 23.683 183 HD12 LEU 25 HD12 LEU 25 37.088 46.637 24.594 184 HD13 LEU 25 HD13 LEU 25 36.818 48.160 25.452 185 HD21 LEU 25 HD21 LEU 25 39.211 46.077 23.645 186 HD22 LEU 25 HD22 LEU 25 39.333 47.590 22.725 187 HD23 LEU 25 HD23 LEU 25 40.630 47.102 23.845 188 H SER 26 H SER 26 41.466 50.877 22.933 189 HA SER 26 HA SER 26 41.791 53.602 23.949 190 HB2 SER 26 HB2 SER 26 43.108 52.744 22.049 191 HB3 SER 26 HB3 SER 26 41.622 52.575 21.092 192 HG SER 26 HG SER 26 42.937 54.555 20.855 193 H ALA 27 H ALA 27 40.462 55.429 23.158 194 HA ALA 27 HA ALA 27 37.914 55.116 24.187 195 HB1 ALA 27 HB1 ALA 27 38.952 57.339 22.383 196 HB2 ALA 27 HB2 ALA 27 37.553 57.448 23.476 197 HB3 ALA 27 HB3 ALA 27 39.178 57.219 24.144 198 H GLU 28 H GLU 28 38.634 55.372 20.628 199 HA GLU 28 HA GLU 28 35.805 55.101 19.993 200 HB2 GLU 28 HB2 GLU 28 37.423 56.358 18.575 201 HB3 GLU 28 HB3 GLU 28 38.200 54.836 18.142 202 HG2 GLU 28 HG2 GLU 28 36.624 55.648 16.405 203 HG3 GLU 28 HG3 GLU 28 36.195 54.055 17.011 204 H GLU 29 H GLU 29 38.453 52.777 20.367 205 HA GLU 29 HA GLU 29 37.070 50.513 19.185 206 HB2 GLU 29 HB2 GLU 29 39.167 50.505 21.391 207 HB3 GLU 29 HB3 GLU 29 38.735 49.158 20.354 208 HG2 GLU 29 HG2 GLU 29 40.053 51.736 19.373 209 HG3 GLU 29 HG3 GLU 29 40.912 50.283 19.839 210 H LEU 30 H LEU 30 37.218 51.918 22.456 211 HA LEU 30 HA LEU 30 35.405 50.050 23.688 212 HB2 LEU 30 HB2 LEU 30 37.003 51.554 24.878 213 HB3 LEU 30 HB3 LEU 30 36.071 52.946 24.346 214 HG LEU 30 HG LEU 30 34.106 52.104 25.656 215 HD11 LEU 30 HD11 LEU 30 36.130 50.080 26.732 216 HD12 LEU 30 HD12 LEU 30 34.512 50.377 27.395 217 HD13 LEU 30 HD13 LEU 30 34.678 49.691 25.775 218 HD21 LEU 30 HD21 LEU 30 35.032 52.705 27.842 219 HD22 LEU 30 HD22 LEU 30 36.681 52.464 27.234 220 HD23 LEU 30 HD23 LEU 30 35.668 53.769 26.581 221 H LYS 31 H LYS 31 34.880 52.891 21.629 222 HA LYS 31 HA LYS 31 31.976 52.973 22.089 223 HB2 LYS 31 HB2 LYS 31 33.615 54.881 21.235 224 HB3 LYS 31 HB3 LYS 31 33.320 54.159 19.652 225 HG2 LYS 31 HG2 LYS 31 30.879 54.497 19.944 226 HG3 LYS 31 HG3 LYS 31 31.156 55.103 21.590 227 HD2 LYS 31 HD2 LYS 31 32.599 56.929 20.609 228 HD3 LYS 31 HD3 LYS 31 32.102 56.408 18.999 229 HE2 LYS 31 HE2 LYS 31 30.147 57.233 21.198 230 HE3 LYS 31 HE3 LYS 31 30.853 58.374 20.045 231 HZ1 LYS 31 HZ1 LYS 31 28.703 57.624 19.285 232 HZ2 LYS 31 HZ2 LYS 31 29.877 57.148 18.247 233 HZ3 LYS 31 HZ3 LYS 31 29.162 56.052 19.273 234 H GLU 32 H GLU 32 34.138 51.419 19.719 235 HA GLU 32 HA GLU 32 32.035 50.246 18.163 236 HB2 GLU 32 HB2 GLU 32 34.417 50.410 17.455 237 HB3 GLU 32 HB3 GLU 32 34.865 49.247 18.694 238 HG2 GLU 32 HG2 GLU 32 34.746 48.205 16.490 239 HG3 GLU 32 HG3 GLU 32 33.599 47.484 17.607 240 H LEU 33 H LEU 33 33.636 49.119 21.158 241 HA LEU 33 HA LEU 33 32.002 46.750 21.406 242 HB2 LEU 33 HB2 LEU 33 34.132 47.065 22.600 243 HB3 LEU 33 HB3 LEU 33 33.447 48.421 23.495 244 HG LEU 33 HG LEU 33 31.830 46.907 24.608 245 HD11 LEU 33 HD11 LEU 33 33.293 44.692 23.096 246 HD12 LEU 33 HD12 LEU 33 32.154 44.445 24.444 247 HD13 LEU 33 HD13 LEU 33 31.574 45.131 22.926 248 HD21 LEU 33 HD21 LEU 33 34.713 45.952 24.772 249 HD22 LEU 33 HD22 LEU 33 34.038 47.362 25.611 250 HD23 LEU 33 HD23 LEU 33 33.453 45.741 26.015 251 H GLU 34 H GLU 34 31.404 50.170 22.358 252 HA GLU 34 HA GLU 34 28.905 49.571 23.667 253 HB2 GLU 34 HB2 GLU 34 30.213 51.720 23.830 254 HB3 GLU 34 HB3 GLU 34 29.607 52.170 22.248 255 HG2 GLU 34 HG2 GLU 34 27.594 52.782 23.063 256 HG3 GLU 34 HG3 GLU 34 27.414 51.302 23.992 257 H ARG 35 H ARG 35 29.671 50.270 20.241 258 HA ARG 35 HA ARG 35 26.956 50.137 19.278 259 HB2 ARG 35 HB2 ARG 35 29.664 49.751 17.934 260 HB3 ARG 35 HB3 ARG 35 28.137 49.609 17.056 261 HG2 ARG 35 HG2 ARG 35 27.503 51.904 17.738 262 HG3 ARG 35 HG3 ARG 35 29.062 52.112 18.544 263 HD2 ARG 35 HD2 ARG 35 28.756 51.371 15.603 264 HD3 ARG 35 HD3 ARG 35 28.871 53.034 16.151 265 HE ARG 35 HE ARG 35 31.033 51.014 16.070 266 HH11 ARG 35 HH11 ARG 35 30.267 54.340 17.097 267 HH12 ARG 35 HH12 ARG 35 32.014 54.646 17.228 268 HH21 ARG 35 HH21 ARG 35 33.020 51.603 16.231 269 HH22 ARG 35 HH22 ARG 35 33.452 53.259 16.774 270 H GLU 36 H GLU 36 29.264 47.510 19.915 271 HA GLU 36 HA GLU 36 27.696 45.370 18.792 272 HB2 GLU 36 HB2 GLU 36 30.017 45.160 19.673 273 HB3 GLU 36 HB3 GLU 36 29.422 45.432 21.297 274 HG2 GLU 36 HG2 GLU 36 29.804 43.089 21.043 275 HG3 GLU 36 HG3 GLU 36 28.085 43.360 21.220 276 H LEU 37 H LEU 37 27.300 47.297 21.723 277 HA LEU 37 HA LEU 37 25.184 45.520 22.784 278 HB2 LEU 37 HB2 LEU 37 26.619 47.900 24.001 279 HB3 LEU 37 HB3 LEU 37 25.507 46.826 24.843 280 HG LEU 37 HG LEU 37 28.079 45.797 23.562 281 HD11 LEU 37 HD11 LEU 37 29.173 45.913 25.666 282 HD12 LEU 37 HD12 LEU 37 28.625 47.533 25.227 283 HD13 LEU 37 HD13 LEU 37 27.739 46.591 26.458 284 HD21 LEU 37 HD21 LEU 37 26.385 44.077 24.085 285 HD22 LEU 37 HD22 LEU 37 27.830 43.928 25.092 286 HD23 LEU 37 HD23 LEU 37 26.353 44.636 25.774 287 H GLU 38 H GLU 38 25.083 47.823 20.540 288 HA GLU 38 HA GLU 38 23.174 49.742 21.332 289 HB2 GLU 38 HB2 GLU 38 24.694 49.793 19.342 290 HB3 GLU 38 HB3 GLU 38 23.714 48.539 18.594 291 HG2 GLU 38 HG2 GLU 38 23.124 50.587 17.584 292 HG3 GLU 38 HG3 GLU 38 21.758 50.126 18.581 293 H ASP 39 H ASP 39 22.612 46.403 20.283 294 HA ASP 39 HA ASP 39 19.733 46.585 19.929 295 HB2 ASP 39 HB2 ASP 39 21.597 44.302 20.679 296 HB3 ASP 39 HB3 ASP 39 19.846 44.114 20.586 297 H ILE 40 H ILE 40 21.808 45.861 22.755 298 HA ILE 40 HA ILE 40 19.645 45.334 24.576 299 HB ILE 40 HB ILE 40 22.554 46.023 25.166 300 HG12 ILE 40 HG12 ILE 40 21.229 43.314 24.673 301 HG13 ILE 40 HG13 ILE 40 22.415 44.102 23.629 302 HG21 ILE 40 HG21 ILE 40 22.198 44.870 27.305 303 HG22 ILE 40 HG22 ILE 40 21.057 46.190 27.157 304 HG23 ILE 40 HG23 ILE 40 20.515 44.524 26.860 305 HD11 ILE 40 HD11 ILE 40 24.083 43.972 25.518 306 HD12 ILE 40 HD12 ILE 40 22.926 42.923 26.374 307 HD13 ILE 40 HD13 ILE 40 23.584 42.423 24.811 308 H GLU 41 H GLU 41 21.593 48.208 23.895 309 HA GLU 41 HA GLU 41 20.761 50.048 25.839 310 HB2 GLU 41 HB2 GLU 41 22.502 50.358 24.059 311 HB3 GLU 41 HB3 GLU 41 21.215 50.511 22.869 312 HG2 GLU 41 HG2 GLU 41 21.990 52.693 23.372 313 HG3 GLU 41 HG3 GLU 41 20.372 52.543 24.041 314 H1 GLY 0 H1 GLY 0 28.767 55.691 27.081 315 H2 GLY 0 H2 GLY 0 28.266 54.815 28.372 316 H3 GLY 0 H3 GLY 0 28.770 54.053 26.994 317 HA2 GLY 0 HA2 GLY 0 30.994 54.861 27.263 318 HA3 GLY 0 HA3 GLY 0 30.484 55.722 28.724 319 H MET 1 H MET 1 32.426 54.300 29.517 320 HA MET 1 HA MET 1 32.398 51.519 29.351 321 HB2 MET 1 HB2 MET 1 34.298 53.127 29.961 322 HB3 MET 1 HB3 MET 1 33.717 53.026 31.625 323 HG2 MET 1 HG2 MET 1 34.097 50.608 31.655 324 HG3 MET 1 HG3 MET 1 34.393 50.601 29.915 325 HE1 MET 1 HE1 MET 1 35.821 52.755 33.015 326 HE2 MET 1 HE2 MET 1 35.872 51.026 33.436 327 HE3 MET 1 HE3 MET 1 37.379 51.919 33.177 328 H ASP 2 H ASP 2 31.129 53.460 32.108 329 HA ASP 2 HA ASP 2 30.347 51.135 33.631 330 HB2 ASP 2 HB2 ASP 2 29.886 54.096 33.767 331 HB3 ASP 2 HB3 ASP 2 28.656 53.103 34.532 332 H ALA 3 H ALA 3 28.792 52.573 30.873 333 HA ALA 3 HA ALA 3 26.228 51.165 31.396 334 HB1 ALA 3 HB1 ALA 3 25.497 52.153 29.307 335 HB2 ALA 3 HB2 ALA 3 26.222 53.415 30.313 336 HB3 ALA 3 HB3 ALA 3 27.131 52.734 28.940 337 H ILE 4 H ILE 4 29.138 50.927 29.332 338 HA ILE 4 HA ILE 4 28.423 48.636 27.800 339 HB ILE 4 HB ILE 4 31.085 49.740 28.730 340 HG12 ILE 4 HG12 ILE 4 29.823 49.720 25.952 341 HG13 ILE 4 HG13 ILE 4 29.614 51.038 27.098 342 HG21 ILE 4 HG21 ILE 4 30.678 47.455 26.767 343 HG22 ILE 4 HG22 ILE 4 32.207 48.297 27.065 344 HG23 ILE 4 HG23 ILE 4 31.477 47.352 28.347 345 HD11 ILE 4 HD11 ILE 4 31.372 51.737 25.687 346 HD12 ILE 4 HD12 ILE 4 32.156 51.254 27.188 347 HD13 ILE 4 HD13 ILE 4 32.191 50.170 25.776 348 H LYS 5 H LYS 5 30.262 48.751 30.918 349 HA LYS 5 HA LYS 5 30.464 45.960 31.285 350 HB2 LYS 5 HB2 LYS 5 31.650 47.743 32.599 351 HB3 LYS 5 HB3 LYS 5 30.143 48.083 33.460 352 HG2 LYS 5 HG2 LYS 5 30.109 45.749 34.305 353 HG3 LYS 5 HG3 LYS 5 31.611 45.400 33.425 354 HD2 LYS 5 HD2 LYS 5 32.835 47.007 34.823 355 HD3 LYS 5 HD3 LYS 5 31.321 47.487 35.621 356 HE2 LYS 5 HE2 LYS 5 31.022 45.085 36.345 357 HE3 LYS 5 HE3 LYS 5 32.636 44.732 35.709 358 HZ1 LYS 5 HZ1 LYS 5 33.536 46.337 37.315 359 HZ2 LYS 5 HZ2 LYS 5 32.062 46.725 37.838 360 HZ3 LYS 5 HZ3 LYS 5 32.666 45.202 38.102 361 H LYS 6 H LYS 6 27.748 48.071 32.227 362 HA LYS 6 HA LYS 6 26.166 45.983 33.473 363 HB2 LYS 6 HB2 LYS 6 25.423 48.702 32.322 364 HB3 LYS 6 HB3 LYS 6 24.288 47.643 33.176 365 HG2 LYS 6 HG2 LYS 6 25.611 47.729 35.218 366 HG3 LYS 6 HG3 LYS 6 26.900 48.621 34.404 367 HD2 LYS 6 HD2 LYS 6 25.250 50.489 33.952 368 HD3 LYS 6 HD3 LYS 6 24.051 49.593 34.890 369 HE2 LYS 6 HE2 LYS 6 25.044 51.317 36.264 370 HE3 LYS 6 HE3 LYS 6 25.477 49.740 36.903 371 HZ1 LYS 6 HZ1 LYS 6 27.334 51.026 35.033 372 HZ2 LYS 6 HZ2 LYS 6 27.253 51.602 36.586 373 HZ3 LYS 6 HZ3 LYS 6 27.683 50.051 36.299 374 H LYS 7 H LYS 7 26.011 47.378 30.144 375 HA LYS 7 HA LYS 7 23.951 45.592 29.230 376 HB2 LYS 7 HB2 LYS 7 26.097 47.190 27.798 377 HB3 LYS 7 HB3 LYS 7 24.893 46.203 26.939 378 HG2 LYS 7 HG2 LYS 7 23.065 47.471 27.915 379 HG3 LYS 7 HG3 LYS 7 24.169 48.433 28.889 380 HD2 LYS 7 HD2 LYS 7 24.112 48.444 25.834 381 HD3 LYS 7 HD3 LYS 7 23.270 49.587 26.874 382 HE2 LYS 7 HE2 LYS 7 25.470 50.210 27.920 383 HE3 LYS 7 HE3 LYS 7 26.295 49.212 26.714 384 HZ1 LYS 7 HZ1 LYS 7 25.366 50.661 24.990 385 HZ2 LYS 7 HZ2 LYS 7 24.500 51.497 26.083 386 HZ3 LYS 7 HZ3 LYS 7 26.152 51.610 26.090 387 H MET 8 H MET 8 27.492 45.105 29.337 388 HA MET 8 HA MET 8 27.414 42.487 28.097 389 HB2 MET 8 HB2 MET 8 29.402 43.725 30.041 390 HB3 MET 8 HB3 MET 8 29.626 42.181 29.207 391 HG2 MET 8 HG2 MET 8 29.609 43.275 27.033 392 HG3 MET 8 HG3 MET 8 29.186 44.812 27.762 393 HE1 MET 8 HE1 MET 8 32.092 42.322 26.901 394 HE2 MET 8 HE2 MET 8 33.361 42.824 28.037 395 HE3 MET 8 HE3 MET 8 31.897 42.026 28.645 396 H GLN 9 H GLN 9 27.152 43.501 31.568 397 HA GLN 9 HA GLN 9 26.879 40.858 32.616 398 HB2 GLN 9 HB2 GLN 9 27.346 42.750 34.058 399 HB3 GLN 9 HB3 GLN 9 25.851 43.539 33.606 400 HG2 GLN 9 HG2 GLN 9 25.657 42.603 35.828 401 HG3 GLN 9 HG3 GLN 9 24.517 41.840 34.737 402 HE21 GLN 9 HE21 GLN 9 25.635 38.875 36.383 403 HE22 GLN 9 HE22 GLN 9 24.411 40.132 36.420 404 H MET 10 H MET 10 24.363 43.061 31.252 405 HA MET 10 HA MET 10 22.107 41.413 31.790 406 HB2 MET 10 HB2 MET 10 22.649 43.257 29.434 407 HB3 MET 10 HB3 MET 10 21.084 42.533 29.798 408 HG2 MET 10 HG2 MET 10 20.873 43.751 31.845 409 HG3 MET 10 HG3 MET 10 22.558 44.245 31.823 410 HE1 MET 10 HE1 MET 10 18.963 44.927 30.548 411 HE2 MET 10 HE2 MET 10 19.214 46.010 29.164 412 HE3 MET 10 HE3 MET 10 19.695 44.302 29.057 413 H LEU 11 H LEU 11 24.261 41.351 28.890 414 HA LEU 11 HA LEU 11 22.957 39.158 27.643 415 HB2 LEU 11 HB2 LEU 11 24.593 40.788 26.616 416 HB3 LEU 11 HB3 LEU 11 25.890 39.974 27.486 417 HG LEU 11 HG LEU 11 25.333 37.857 26.233 418 HD11 LEU 11 HD11 LEU 11 23.546 39.703 24.587 419 HD12 LEU 11 HD12 LEU 11 23.982 38.032 24.174 420 HD13 LEU 11 HD13 LEU 11 22.984 38.361 25.600 421 HD21 LEU 11 HD21 LEU 11 26.365 38.569 24.130 422 HD22 LEU 11 HD22 LEU 11 25.963 40.265 24.480 423 HD23 LEU 11 HD23 LEU 11 27.133 39.399 25.492 424 H LYS 12 H LYS 12 25.430 39.188 30.168 425 HA LYS 12 HA LYS 12 25.849 36.302 30.205 426 HB2 LYS 12 HB2 LYS 12 27.398 38.282 31.003 427 HB3 LYS 12 HB3 LYS 12 26.496 38.160 32.517 428 HG2 LYS 12 HG2 LYS 12 27.171 35.758 32.687 429 HG3 LYS 12 HG3 LYS 12 28.014 35.894 31.137 430 HD2 LYS 12 HD2 LYS 12 29.521 37.643 32.149 431 HD3 LYS 12 HD3 LYS 12 28.713 37.376 33.710 432 HE2 LYS 12 HE2 LYS 12 29.350 34.961 33.582 433 HE3 LYS 12 HE3 LYS 12 30.240 35.272 32.086 434 HZ1 LYS 12 HZ1 LYS 12 31.628 35.235 34.129 435 HZ2 LYS 12 HZ2 LYS 12 31.750 36.707 33.383 436 HZ3 LYS 12 HZ3 LYS 12 30.832 36.505 34.729 437 H LEU 13 H LEU 13 23.648 38.486 31.950 438 HA LEU 13 HA LEU 13 22.582 36.482 33.754 439 HB2 LEU 13 HB2 LEU 13 21.552 39.149 32.720 440 HB3 LEU 13 HB3 LEU 13 20.616 38.163 33.827 441 HG LEU 13 HG LEU 13 23.433 39.080 34.488 442 HD11 LEU 13 HD11 LEU 13 22.032 41.065 34.114 443 HD12 LEU 13 HD12 LEU 13 20.778 40.401 35.181 444 HD13 LEU 13 HD13 LEU 13 22.356 40.866 35.843 445 HD21 LEU 13 HD21 LEU 13 22.679 38.694 36.819 446 HD22 LEU 13 HD22 LEU 13 21.121 38.097 36.212 447 HD23 LEU 13 HD23 LEU 13 22.620 37.206 35.859 448 H ASP 14 H ASP 14 21.514 37.627 30.510 449 HA ASP 14 HA ASP 14 19.297 35.834 30.295 450 HB2 ASP 14 HB2 ASP 14 21.094 37.056 28.169 451 HB3 ASP 14 HB3 ASP 14 19.642 36.120 27.818 452 H ASN 15 H ASN 15 22.765 35.322 29.538 453 HA ASN 15 HA ASN 15 22.483 32.637 28.585 454 HB2 ASN 15 HB2 ASN 15 24.493 34.215 28.396 455 HB3 ASN 15 HB3 ASN 15 24.886 33.795 30.066 456 HD21 ASN 15 HD21 ASN 15 25.350 30.998 27.055 457 HD22 ASN 15 HD22 ASN 15 24.145 32.278 26.914 458 H TYR 16 H TYR 16 23.018 33.881 31.928 459 HA TYR 16 HA TYR 16 23.036 31.321 33.206 460 HB2 TYR 16 HB2 TYR 16 23.873 33.348 34.247 461 HB3 TYR 16 HB3 TYR 16 22.281 34.078 34.222 462 HD1 TYR 16 HD1 TYR 16 20.880 33.904 36.115 463 HD2 TYR 16 HD2 TYR 16 24.096 31.080 35.596 464 HE1 TYR 16 HE1 TYR 16 20.464 32.998 38.391 465 HE2 TYR 16 HE2 TYR 16 23.699 30.195 37.887 466 HH TYR 16 HH TYR 16 22.490 30.463 39.857 467 H HIS 17 H HIS 17 20.291 33.473 32.388 468 HA HIS 17 HA HIS 17 18.193 31.894 33.585 469 HB2 HIS 17 HB2 HIS 17 17.590 34.053 32.963 470 HB3 HIS 17 HB3 HIS 17 18.399 33.969 31.409 471 HD2 HIS 17 HD2 HIS 17 16.866 33.783 29.392 472 HE1 HIS 17 HE1 HIS 17 13.408 32.091 31.232 473 HE2 HIS 17 HE2 HIS 17 14.367 33.011 29.056 474 H LEU 18 H LEU 18 19.556 31.808 30.252 475 HA LEU 18 HA LEU 18 17.971 29.563 29.420 476 HB2 LEU 18 HB2 LEU 18 20.586 30.772 28.446 477 HB3 LEU 18 HB3 LEU 18 19.807 29.417 27.641 478 HG LEU 18 HG LEU 18 18.355 32.057 28.103 479 HD11 LEU 18 HD11 LEU 18 19.890 31.176 25.629 480 HD12 LEU 18 HD12 LEU 18 18.913 32.647 25.795 481 HD13 LEU 18 HD13 LEU 18 20.389 32.460 26.756 482 HD21 LEU 18 HD21 LEU 18 16.888 30.150 27.590 483 HD22 LEU 18 HD22 LEU 18 16.965 31.242 26.206 484 HD23 LEU 18 HD23 LEU 18 17.892 29.728 26.184 485 H GLU 19 H GLU 19 21.292 29.646 30.814 486 HA GLU 19 HA GLU 19 21.813 26.846 30.746 487 HB2 GLU 19 HB2 GLU 19 22.679 29.153 32.493 488 HB3 GLU 19 HB3 GLU 19 23.144 27.537 32.960 489 HG2 GLU 19 HG2 GLU 19 23.703 28.609 30.164 490 HG3 GLU 19 HG3 GLU 19 24.779 28.912 31.530 491 H ASN 20 H ASN 20 19.961 28.739 33.167 492 HA ASN 20 HA ASN 20 19.455 26.435 34.883 493 HB2 ASN 20 HB2 ASN 20 18.381 29.268 34.681 494 HB3 ASN 20 HB3 ASN 20 17.549 28.070 35.668 495 HD21 ASN 20 HD21 ASN 20 21.014 29.593 37.050 496 HD22 ASN 20 HD22 ASN 20 20.452 30.019 35.434 497 H GLU 21 H GLU 21 17.516 28.043 32.285 498 HA GLU 21 HA GLU 21 15.288 26.302 32.669 499 HB2 GLU 21 HB2 GLU 21 15.354 28.578 31.497 500 HB3 GLU 21 HB3 GLU 21 16.046 27.748 30.107 501 HG2 GLU 21 HG2 GLU 21 13.744 27.970 29.664 502 HG3 GLU 21 HG3 GLU 21 13.965 26.274 30.071 503 H VAL 22 H VAL 22 18.122 25.970 30.517 504 HA VAL 22 HA VAL 22 17.343 23.432 29.374 505 HB VAL 22 HB VAL 22 20.074 24.674 29.873 506 HG11 VAL 22 HG11 VAL 22 20.965 22.959 28.303 507 HG12 VAL 22 HG12 VAL 22 20.423 22.249 29.823 508 HG13 VAL 22 HG13 VAL 22 19.405 22.110 28.367 509 HG21 VAL 22 HG21 VAL 22 20.052 24.945 27.405 510 HG22 VAL 22 HG22 VAL 22 18.426 24.230 27.334 511 HG23 VAL 22 HG23 VAL 22 18.693 25.784 28.149 512 H ALA 23 H ALA 23 19.304 24.186 32.346 513 HA ALA 23 HA ALA 23 19.669 21.477 33.108 514 HB1 ALA 23 HB1 ALA 23 20.144 22.425 35.349 515 HB2 ALA 23 HB2 ALA 23 20.954 23.326 34.058 516 HB3 ALA 23 HB3 ALA 23 19.496 23.992 34.827 517 H ARG 24 H ARG 24 16.926 23.660 33.811 518 HA ARG 24 HA ARG 24 15.479 21.903 35.551 519 HB2 ARG 24 HB2 ARG 24 15.087 24.353 35.223 520 HB3 ARG 24 HB3 ARG 24 14.417 24.029 33.622 521 HG2 ARG 24 HG2 ARG 24 12.568 22.733 34.623 522 HG3 ARG 24 HG3 ARG 24 13.321 22.879 36.219 523 HD2 ARG 24 HD2 ARG 24 11.641 24.506 36.245 524 HD3 ARG 24 HD3 ARG 24 13.119 25.410 35.979 525 HE ARG 24 HE ARG 24 12.481 25.888 33.731 526 HH11 ARG 24 HH11 ARG 24 9.856 24.346 35.518 527 HH12 ARG 24 HH12 ARG 24 8.682 25.035 34.421 528 HH21 ARG 24 HH21 ARG 24 10.858 26.640 32.409 529 HH22 ARG 24 HH22 ARG 24 9.203 26.290 32.867 530 H LEU 25 H LEU 25 15.159 22.361 32.004 531 HA LEU 25 HA LEU 25 13.149 20.299 31.778 532 HB2 LEU 25 HB2 LEU 25 14.881 21.700 29.716 533 HB3 LEU 25 HB3 LEU 25 13.540 20.620 29.318 534 HG LEU 25 HG LEU 25 13.166 23.145 30.989 535 HD11 LEU 25 HD11 LEU 25 14.047 23.734 28.751 536 HD12 LEU 25 HD12 LEU 25 12.732 22.799 27.993 537 HD13 LEU 25 HD13 LEU 25 12.368 24.239 28.966 538 HD21 LEU 25 HD21 LEU 25 11.205 21.413 29.420 539 HD22 LEU 25 HD22 LEU 25 11.348 21.485 31.193 540 HD23 LEU 25 HD23 LEU 25 10.813 22.907 30.296 541 H LYS 26 H LYS 26 16.694 20.176 31.334 542 HA LYS 26 HA LYS 26 16.915 17.689 30.018 543 HB2 LYS 26 HB2 LYS 26 18.696 19.102 32.029 544 HB3 LYS 26 HB3 LYS 26 19.166 17.551 31.338 545 HG2 LYS 26 HG2 LYS 26 18.427 19.916 29.583 546 HG3 LYS 26 HG3 LYS 26 20.063 19.663 30.203 547 HD2 LYS 26 HD2 LYS 26 20.225 17.520 29.023 548 HD3 LYS 26 HD3 LYS 26 18.532 17.658 28.481 549 HE2 LYS 26 HE2 LYS 26 19.076 19.812 27.374 550 HE3 LYS 26 HE3 LYS 26 20.771 19.634 27.826 551 HZ1 LYS 26 HZ1 LYS 26 19.310 17.640 26.174 552 HZ2 LYS 26 HZ2 LYS 26 20.067 18.934 25.539 553 HZ3 LYS 26 HZ3 LYS 26 20.939 17.775 26.360 554 H LYS 27 H LYS 27 16.409 18.223 33.478 555 HA LYS 27 HA LYS 27 16.888 15.585 34.426 556 HB2 LYS 27 HB2 LYS 27 14.899 17.664 35.434 557 HB3 LYS 27 HB3 LYS 27 15.442 16.246 36.343 558 HG2 LYS 27 HG2 LYS 27 17.749 17.088 36.386 559 HG3 LYS 27 HG3 LYS 27 17.300 18.444 35.353 560 HD2 LYS 27 HD2 LYS 27 15.606 19.103 37.183 561 HD3 LYS 27 HD3 LYS 27 16.457 17.936 38.218 562 HE2 LYS 27 HE2 LYS 27 18.607 19.197 37.713 563 HE3 LYS 27 HE3 LYS 27 17.645 20.366 36.798 564 HZ1 LYS 27 HZ1 LYS 27 17.526 19.827 39.707 565 HZ2 LYS 27 HZ2 LYS 27 17.811 21.295 38.953 566 HZ3 LYS 27 HZ3 LYS 27 16.331 20.610 38.959 567 H LEU 28 H LEU 28 13.952 16.957 32.989 568 HA LEU 28 HA LEU 28 12.239 14.697 33.597 569 HB2 LEU 28 HB2 LEU 28 11.911 16.914 31.531 570 HB3 LEU 28 HB3 LEU 28 10.639 15.863 32.135 571 HG LEU 28 HG LEU 28 12.157 17.926 33.801 572 HD11 LEU 28 HD11 LEU 28 10.044 19.180 33.743 573 HD12 LEU 28 HD12 LEU 28 10.695 18.949 32.112 574 HD13 LEU 28 HD13 LEU 28 9.331 17.953 32.673 575 HD21 LEU 28 HD21 LEU 28 11.348 16.071 35.214 576 HD22 LEU 28 HD22 LEU 28 10.382 17.525 35.486 577 HD23 LEU 28 HD23 LEU 28 9.729 16.207 34.489 578 H VAL 29 H VAL 29 14.130 15.645 30.727 579 HA VAL 29 HA VAL 29 13.063 13.393 29.148 580 HB VAL 29 HB VAL 29 14.453 14.256 27.328 581 HG11 VAL 29 HG11 VAL 29 12.820 16.421 28.723 582 HG12 VAL 29 HG12 VAL 29 13.236 16.370 27.006 583 HG13 VAL 29 HG13 VAL 29 12.168 15.130 27.690 584 HG21 VAL 29 HG21 VAL 29 15.696 16.310 27.477 585 HG22 VAL 29 HG22 VAL 29 15.226 16.546 29.170 586 HG23 VAL 29 HG23 VAL 29 16.332 15.229 28.725 587 H GLY 30 H GLY 30 15.846 13.873 31.179 588 HA2 GLY 30 HA2 GLY 30 17.485 12.398 31.827 589 HA3 GLY 30 HA3 GLY 30 16.537 11.099 31.088 590 H GLU 31 H GLU 31 18.024 13.929 29.474 591 HA GLU 31 HA GLU 31 19.378 12.163 27.521 592 HB2 GLU 31 HB2 GLU 31 19.128 15.179 27.770 593 HB3 GLU 31 HB3 GLU 31 20.111 14.372 26.535 594 HG2 GLU 31 HG2 GLU 31 18.142 13.183 25.680 595 HG3 GLU 31 HG3 GLU 31 17.114 13.940 26.897 596 H ARG 32 H ARG 32 21.533 11.835 27.358 597 HA ARG 32 HA ARG 32 23.359 12.961 29.442 598 HB2 ARG 32 HB2 ARG 32 22.916 10.003 28.833 599 HB3 ARG 32 HB3 ARG 32 24.176 10.651 29.891 600 HG2 ARG 32 HG2 ARG 32 22.481 11.583 31.414 601 HG3 ARG 32 HG3 ARG 32 21.181 10.948 30.388 602 HD2 ARG 32 HD2 ARG 32 21.915 8.660 30.769 603 HD3 ARG 32 HD3 ARG 32 23.296 9.231 31.728 604 HE ARG 32 HE ARG 32 20.698 10.148 32.716 605 HH11 ARG 32 HH11 ARG 32 22.803 7.333 32.896 606 HH12 ARG 32 HH12 ARG 32 22.443 7.102 34.596 607 HH21 ARG 32 HH21 ARG 32 20.111 9.595 34.718 608 HH22 ARG 32 HH22 ARG 32 20.790 8.174 35.499 609 H1 GLY 0 H1 GLY 0 46.523 43.811 18.835 610 H2 GLY 0 H2 GLY 0 45.850 45.228 18.335 611 H3 GLY 0 H3 GLY 0 46.453 44.175 17.236 612 HA2 GLY 0 HA2 GLY 0 44.105 43.983 17.183 613 HA3 GLY 0 HA3 GLY 0 44.815 42.505 17.867 614 H MET 1 H MET 1 42.276 44.433 18.263 615 HA MET 1 HA MET 1 42.190 44.141 21.249 616 HB2 MET 1 HB2 MET 1 41.308 46.546 19.600 617 HB3 MET 1 HB3 MET 1 40.970 46.310 21.315 618 HG2 MET 1 HG2 MET 1 43.429 46.202 21.759 619 HG3 MET 1 HG3 MET 1 43.714 46.615 20.066 620 HE1 MET 1 HE1 MET 1 45.076 48.264 22.313 621 HE2 MET 1 HE2 MET 1 45.189 48.660 20.583 622 HE3 MET 1 HE3 MET 1 44.778 49.926 21.759 623 H ASP 2 H ASP 2 40.734 43.054 18.457 624 HA ASP 2 HA ASP 2 37.998 43.589 18.918 625 HB2 ASP 2 HB2 ASP 2 37.531 42.047 17.209 626 HB3 ASP 2 HB3 ASP 2 39.043 42.824 16.765 627 H ALA 3 H ALA 3 40.000 41.254 20.478 628 HA ALA 3 HA ALA 3 38.513 39.087 20.901 629 HB1 ALA 3 HB1 ALA 3 40.324 40.416 22.958 630 HB2 ALA 3 HB2 ALA 3 39.859 38.705 22.943 631 HB3 ALA 3 HB3 ALA 3 40.835 39.364 21.617 632 H ILE 4 H ILE 4 38.026 42.050 22.846 633 HA ILE 4 HA ILE 4 36.168 40.783 24.688 634 HB ILE 4 HB ILE 4 36.570 43.741 24.099 635 HG12 ILE 4 HG12 ILE 4 37.782 41.900 26.222 636 HG13 ILE 4 HG13 ILE 4 38.645 42.647 24.880 637 HG21 ILE 4 HG21 ILE 4 35.223 42.334 26.456 638 HG22 ILE 4 HG22 ILE 4 35.460 44.085 26.290 639 HG23 ILE 4 HG23 ILE 4 34.379 43.249 25.190 640 HD11 ILE 4 HD11 ILE 4 38.147 44.905 25.860 641 HD12 ILE 4 HD12 ILE 4 37.496 44.076 27.297 642 HD13 ILE 4 HD13 ILE 4 39.190 43.868 26.847 643 H LYS 5 H LYS 5 35.709 42.682 21.672 644 HA LYS 5 HA LYS 5 32.799 42.472 21.693 645 HB2 LYS 5 HB2 LYS 5 34.121 44.198 20.387 646 HB3 LYS 5 HB3 LYS 5 34.633 42.910 19.280 647 HG2 LYS 5 HG2 LYS 5 32.260 42.448 18.718 648 HG3 LYS 5 HG3 LYS 5 31.753 43.610 19.936 649 HD2 LYS 5 HD2 LYS 5 31.420 44.631 17.853 650 HD3 LYS 5 HD3 LYS 5 32.798 45.453 18.582 651 HE2 LYS 5 HE2 LYS 5 34.337 44.389 17.069 652 HE3 LYS 5 HE3 LYS 5 33.167 43.140 16.641 653 HZ1 LYS 5 HZ1 LYS 5 32.831 46.005 15.873 654 HZ2 LYS 5 HZ2 LYS 5 33.371 44.820 14.873 655 HZ3 LYS 5 HZ3 LYS 5 31.848 44.805 15.477 656 H LYS 6 H LYS 6 35.424 40.559 20.272 657 HA LYS 6 HA LYS 6 33.872 38.615 18.912 658 HB2 LYS 6 HB2 LYS 6 36.357 39.183 18.782 659 HB3 LYS 6 HB3 LYS 6 36.589 38.157 20.201 660 HG2 LYS 6 HG2 LYS 6 36.026 36.183 18.987 661 HG3 LYS 6 HG3 LYS 6 35.198 37.101 17.720 662 HD2 LYS 6 HD2 LYS 6 37.301 36.327 16.814 663 HD3 LYS 6 HD3 LYS 6 37.333 38.077 16.974 664 HE2 LYS 6 HE2 LYS 6 38.524 37.577 19.290 665 HE3 LYS 6 HE3 LYS 6 38.793 35.973 18.593 666 HZ1 LYS 6 HZ1 LYS 6 39.767 37.310 16.627 667 HZ2 LYS 6 HZ2 LYS 6 39.779 38.591 17.609 668 HZ3 LYS 6 HZ3 LYS 6 40.676 37.283 18.016 669 H LYS 7 H LYS 7 34.983 38.573 22.346 670 HA LYS 7 HA LYS 7 33.714 36.066 22.952 671 HB2 LYS 7 HB2 LYS 7 35.501 37.255 24.317 672 HB3 LYS 7 HB3 LYS 7 34.227 38.314 24.945 673 HG2 LYS 7 HG2 LYS 7 33.032 36.326 25.849 674 HG3 LYS 7 HG3 LYS 7 34.237 35.260 25.114 675 HD2 LYS 7 HD2 LYS 7 35.995 36.292 26.592 676 HD3 LYS 7 HD3 LYS 7 34.715 37.237 27.386 677 HE2 LYS 7 HE2 LYS 7 33.543 35.091 27.962 678 HE3 LYS 7 HE3 LYS 7 34.867 34.188 27.216 679 HZ1 LYS 7 HZ1 LYS 7 36.367 35.184 28.917 680 HZ2 LYS 7 HZ2 LYS 7 35.093 35.939 29.605 681 HZ3 LYS 7 HZ3 LYS 7 35.130 34.320 29.613 682 H MET 8 H MET 8 32.367 39.392 22.981 683 HA MET 8 HA MET 8 29.784 38.545 24.034 684 HB2 MET 8 HB2 MET 8 30.534 41.009 22.426 685 HB3 MET 8 HB3 MET 8 28.978 40.730 23.206 686 HG2 MET 8 HG2 MET 8 31.653 40.967 24.643 687 HG3 MET 8 HG3 MET 8 30.427 42.212 24.500 688 HE1 MET 8 HE1 MET 8 30.837 38.404 25.917 689 HE2 MET 8 HE2 MET 8 31.914 39.594 26.686 690 HE3 MET 8 HE3 MET 8 30.579 38.869 27.606 691 H GLN 9 H GLN 9 30.992 38.978 20.677 692 HA GLN 9 HA GLN 9 28.616 38.162 19.331 693 HB2 GLN 9 HB2 GLN 9 31.570 37.978 18.682 694 HB3 GLN 9 HB3 GLN 9 30.359 37.410 17.551 695 HG2 GLN 9 HG2 GLN 9 30.141 40.227 18.693 696 HG3 GLN 9 HG3 GLN 9 31.316 39.886 17.437 697 HE21 GLN 9 HE21 GLN 9 28.384 41.095 15.617 698 HE22 GLN 9 HE22 GLN 9 29.220 41.732 17.046 699 H MET 10 H MET 10 31.313 36.150 20.634 700 HA MET 10 HA MET 10 30.165 33.627 19.929 701 HB2 MET 10 HB2 MET 10 32.525 34.162 20.716 702 HB3 MET 10 HB3 MET 10 31.909 34.217 22.359 703 HG2 MET 10 HG2 MET 10 31.800 31.845 20.453 704 HG3 MET 10 HG3 MET 10 33.001 32.081 21.709 705 HE1 MET 10 HE1 MET 10 30.850 31.523 25.003 706 HE2 MET 10 HE2 MET 10 32.433 32.011 24.363 707 HE3 MET 10 HE3 MET 10 31.029 33.098 24.211 708 H LEU 11 H LEU 11 29.818 35.552 22.970 709 HA LEU 11 HA LEU 11 28.130 33.701 24.279 710 HB2 LEU 11 HB2 LEU 11 29.442 35.503 25.353 711 HB3 LEU 11 HB3 LEU 11 28.382 36.713 24.628 712 HG LEU 11 HG LEU 11 26.471 35.859 25.956 713 HD11 LEU 11 HD11 LEU 11 28.540 33.937 27.122 714 HD12 LEU 11 HD12 LEU 11 26.962 34.284 27.855 715 HD13 LEU 11 HD13 LEU 11 27.037 33.514 26.272 716 HD21 LEU 11 HD21 LEU 11 28.941 36.403 27.658 717 HD22 LEU 11 HD22 LEU 11 27.962 37.646 26.850 718 HD23 LEU 11 HD23 LEU 11 27.244 36.658 28.128 719 H LYS 12 H LYS 12 27.158 36.429 22.111 720 HA LYS 12 HA LYS 12 24.332 35.903 22.592 721 HB2 LYS 12 HB2 LYS 12 23.820 37.549 21.060 722 HB3 LYS 12 HB3 LYS 12 25.305 38.097 21.832 723 HG2 LYS 12 HG2 LYS 12 26.549 37.174 19.788 724 HG3 LYS 12 HG3 LYS 12 24.958 36.937 19.038 725 HD2 LYS 12 HD2 LYS 12 24.526 39.425 19.534 726 HD3 LYS 12 HD3 LYS 12 26.244 39.539 19.960 727 HE2 LYS 12 HE2 LYS 12 26.767 38.613 17.632 728 HE3 LYS 12 HE3 LYS 12 25.040 38.742 17.274 729 HZ1 LYS 12 HZ1 LYS 12 26.908 40.958 17.906 730 HZ2 LYS 12 HZ2 LYS 12 25.972 40.786 16.544 731 HZ3 LYS 12 HZ3 LYS 12 25.315 41.159 17.983 732 H LEU 13 H LEU 13 26.649 34.571 20.271 733 HA LEU 13 HA LEU 13 24.667 33.048 18.808 734 HB2 LEU 13 HB2 LEU 13 26.910 33.613 17.922 735 HB3 LEU 13 HB3 LEU 13 27.658 32.633 19.178 736 HG LEU 13 HG LEU 13 26.567 30.594 18.232 737 HD11 LEU 13 HD11 LEU 13 24.615 31.584 17.100 738 HD12 LEU 13 HD12 LEU 13 25.683 32.506 16.019 739 HD13 LEU 13 HD13 LEU 13 25.624 30.736 15.922 740 HD21 LEU 13 HD21 LEU 13 28.001 30.445 16.247 741 HD22 LEU 13 HD22 LEU 13 28.204 32.211 16.241 742 HD23 LEU 13 HD23 LEU 13 28.852 31.241 17.581 743 H ASP 14 H ASP 14 26.686 32.347 21.689 744 HA ASP 14 HA ASP 14 25.799 29.712 22.247 745 HB2 ASP 14 HB2 ASP 14 27.644 31.122 23.368 746 HB3 ASP 14 HB3 ASP 14 26.373 31.847 24.343 747 H ASN 15 H ASN 15 24.376 32.858 23.326 748 HA ASN 15 HA ASN 15 22.056 31.785 24.548 749 HB2 ASN 15 HB2 ASN 15 22.582 34.479 23.236 750 HB3 ASN 15 HB3 ASN 15 21.066 34.091 24.041 751 HD21 ASN 15 HD21 ASN 15 23.206 35.768 26.556 752 HD22 ASN 15 HD22 ASN 15 22.560 36.233 24.985 753 H TYR 16 H TYR 16 22.428 32.706 21.048 754 HA TYR 16 HA TYR 16 19.713 32.068 20.391 755 HB2 TYR 16 HB2 TYR 16 21.020 33.364 18.860 756 HB3 TYR 16 HB3 TYR 16 22.234 32.101 18.712 757 HD1 TYR 16 HD1 TYR 16 22.011 30.326 17.129 758 HD2 TYR 16 HD2 TYR 16 18.655 32.920 17.920 759 HE1 TYR 16 HE1 TYR 16 20.759 29.286 15.244 760 HE2 TYR 16 HE2 TYR 16 17.414 31.887 16.007 761 HH TYR 16 HH TYR 16 17.368 29.992 14.544 762 H HIS 17 H HIS 17 22.644 29.931 20.226 763 HA HIS 17 HA HIS 17 21.056 27.641 19.368 764 HB2 HIS 17 HB2 HIS 17 23.884 27.940 20.395 765 HB3 HIS 17 HB3 HIS 17 23.146 26.358 20.125 766 HD2 HIS 17 HD2 HIS 17 24.540 29.334 18.176 767 HE1 HIS 17 HE1 HIS 17 23.220 26.535 15.255 768 HE2 HIS 17 HE2 HIS 17 24.477 28.697 15.599 769 H LEU 18 H LEU 18 21.871 28.904 22.607 770 HA LEU 18 HA LEU 18 20.727 26.651 24.037 771 HB2 LEU 18 HB2 LEU 18 21.276 29.543 24.731 772 HB3 LEU 18 HB3 LEU 18 20.456 28.458 25.843 773 HG LEU 18 HG LEU 18 23.222 27.832 24.752 774 HD11 LEU 18 HD11 LEU 18 23.255 29.980 25.972 775 HD12 LEU 18 HD12 LEU 18 22.419 29.230 27.351 776 HD13 LEU 18 HD13 LEU 18 24.055 28.715 26.906 777 HD21 LEU 18 HD21 LEU 18 21.683 26.839 27.191 778 HD22 LEU 18 HD22 LEU 18 21.995 25.900 25.714 779 HD23 LEU 18 HD23 LEU 18 23.341 26.391 26.757 780 H GLU 19 H GLU 19 19.250 29.794 22.934 781 HA GLU 19 HA GLU 19 16.671 29.222 24.012 782 HB2 GLU 19 HB2 GLU 19 17.374 31.446 23.237 783 HB3 GLU 19 HB3 GLU 19 17.402 30.882 21.559 784 HG2 GLU 19 HG2 GLU 19 14.995 30.516 21.579 785 HG3 GLU 19 HG3 GLU 19 14.918 30.796 23.322 786 H ASN 20 H ASN 20 18.097 28.301 20.875 787 HA ASN 20 HA ASN 20 15.735 26.904 19.945 788 HB2 ASN 20 HB2 ASN 20 18.652 26.924 19.101 789 HB3 ASN 20 HB3 ASN 20 17.468 25.847 18.357 790 HD21 ASN 20 HD21 ASN 20 17.281 29.799 17.465 791 HD22 ASN 20 HD22 ASN 20 18.360 29.276 18.748 792 H GLU 21 H GLU 21 18.508 25.810 21.942 793 HA GLU 21 HA GLU 21 17.633 23.036 21.968 794 HB2 GLU 21 HB2 GLU 21 19.932 23.553 22.461 795 HB3 GLU 21 HB3 GLU 21 19.472 24.667 23.738 796 HG2 GLU 21 HG2 GLU 21 20.367 22.699 24.730 797 HG3 GLU 21 HG3 GLU 21 18.665 22.811 25.133 798 H VAL 22 H VAL 22 16.946 25.853 24.098 799 HA VAL 22 HA VAL 22 15.192 24.442 25.894 800 HB VAL 22 HB VAL 22 15.334 27.363 25.066 801 HG11 VAL 22 HG11 VAL 22 13.898 27.833 27.054 802 HG12 VAL 22 HG12 VAL 22 13.029 27.021 25.758 803 HG13 VAL 22 HG13 VAL 22 13.549 26.095 27.190 804 HG21 VAL 22 HG21 VAL 22 16.064 25.903 27.650 805 HG22 VAL 22 HG22 VAL 22 17.213 26.487 26.428 806 HG23 VAL 22 HG23 VAL 22 16.245 27.643 27.341 807 H ALA 23 H ALA 23 14.496 26.093 22.749 808 HA ALA 23 HA ALA 23 11.740 25.433 22.686 809 HB1 ALA 23 HB1 ALA 23 11.907 25.858 20.283 810 HB2 ALA 23 HB2 ALA 23 12.839 27.064 21.192 811 HB3 ALA 23 HB3 ALA 23 13.674 25.738 20.354 812 H ARG 24 H ARG 24 14.553 23.477 21.524 813 HA ARG 24 HA ARG 24 12.996 21.251 20.580 814 HB2 ARG 24 HB2 ARG 24 15.477 21.645 20.121 815 HB3 ARG 24 HB3 ARG 24 15.797 21.123 21.775 816 HG2 ARG 24 HG2 ARG 24 14.561 18.929 21.179 817 HG3 ARG 24 HG3 ARG 24 14.515 19.509 19.514 818 HD2 ARG 24 HD2 ARG 24 16.370 17.963 19.801 819 HD3 ARG 24 HD3 ARG 24 16.998 19.583 19.490 820 HE ARG 24 HE ARG 24 17.799 19.735 21.711 821 HH11 ARG 24 HH11 ARG 24 16.031 16.631 21.501 822 HH12 ARG 24 HH12 ARG 24 16.596 16.240 23.115 823 HH21 ARG 24 HH21 ARG 24 18.402 19.050 23.641 824 HH22 ARG 24 HH22 ARG 24 17.883 17.456 24.224 825 H LEU 25 H LEU 25 14.489 21.842 23.789 826 HA LEU 25 HA LEU 25 13.559 19.425 25.001 827 HB2 LEU 25 HB2 LEU 25 14.321 22.135 26.136 828 HB3 LEU 25 HB3 LEU 25 13.945 20.743 27.145 829 HG LEU 25 HG LEU 25 16.150 20.623 25.052 830 HD11 LEU 25 HD11 LEU 25 16.462 21.318 28.004 831 HD12 LEU 25 HD12 LEU 25 17.742 21.176 26.772 832 HD13 LEU 25 HD13 LEU 25 16.574 22.485 26.667 833 HD21 LEU 25 HD21 LEU 25 16.999 18.812 26.471 834 HD22 LEU 25 HD22 LEU 25 15.630 19.015 27.588 835 HD23 LEU 25 HD23 LEU 25 15.365 18.451 25.924 836 H LYS 26 H LYS 26 12.002 22.666 24.845 837 HA LYS 26 HA LYS 26 9.610 21.967 26.262 838 HB2 LYS 26 HB2 LYS 26 10.307 24.053 24.179 839 HB3 LYS 26 HB3 LYS 26 8.662 23.878 24.783 840 HG2 LYS 26 HG2 LYS 26 9.349 24.244 27.062 841 HG3 LYS 26 HG3 LYS 26 11.077 24.311 26.610 842 HD2 LYS 26 HD2 LYS 26 10.782 26.397 25.460 843 HD3 LYS 26 HD3 LYS 26 9.038 26.253 25.442 844 HE2 LYS 26 HE2 LYS 26 9.111 26.213 27.997 845 HE3 LYS 26 HE3 LYS 26 10.816 26.710 27.868 846 HZ1 LYS 26 HZ1 LYS 26 9.874 28.643 26.484 847 HZ2 LYS 26 HZ2 LYS 26 8.397 28.201 27.093 848 HZ3 LYS 26 HZ3 LYS 26 9.568 28.659 28.104 849 H LYS 27 H LYS 27 10.354 21.702 22.761 850 HA LYS 27 HA LYS 27 7.832 20.424 22.099 851 HB2 LYS 27 HB2 LYS 27 10.539 20.596 20.715 852 HB3 LYS 27 HB3 LYS 27 9.261 19.534 20.108 853 HG2 LYS 27 HG2 LYS 27 7.696 21.456 20.009 854 HG3 LYS 27 HG3 LYS 27 9.017 22.543 20.467 855 HD2 LYS 27 HD2 LYS 27 10.277 21.867 18.444 856 HD3 LYS 27 HD3 LYS 27 8.987 20.750 17.983 857 HE2 LYS 27 HE2 LYS 27 8.660 23.770 18.285 858 HE3 LYS 27 HE3 LYS 27 8.965 22.954 16.752 859 HZ1 LYS 27 HZ1 LYS 27 6.837 21.844 16.922 860 HZ2 LYS 27 HZ2 LYS 27 6.573 22.450 18.447 861 HZ3 LYS 27 HZ3 LYS 27 6.583 23.418 17.159 862 H LEU 28 H LEU 28 10.889 19.041 23.329 863 HA LEU 28 HA LEU 28 9.990 16.326 22.859 864 HB2 LEU 28 HB2 LEU 28 12.344 16.994 22.796 865 HB3 LEU 28 HB3 LEU 28 12.281 17.448 24.498 866 HG LEU 28 HG LEU 28 11.889 15.096 25.147 867 HD11 LEU 28 HD11 LEU 28 10.724 14.218 23.159 868 HD12 LEU 28 HD12 LEU 28 12.167 14.499 22.161 869 HD13 LEU 28 HD13 LEU 28 12.186 13.286 23.468 870 HD21 LEU 28 HD21 LEU 28 14.207 16.005 24.894 871 HD22 LEU 28 HD22 LEU 28 14.109 14.264 24.607 872 HD23 LEU 28 HD23 LEU 28 14.235 15.390 23.233 873 H VAL 29 H VAL 29 10.046 18.385 25.800 874 HA VAL 29 HA VAL 29 8.776 16.375 27.502 875 HB VAL 29 HB VAL 29 9.008 19.406 27.716 876 HG11 VAL 29 HG11 VAL 29 7.972 17.429 29.790 877 HG12 VAL 29 HG12 VAL 29 8.400 19.124 30.115 878 HG13 VAL 29 HG13 VAL 29 7.054 18.752 29.039 879 HG21 VAL 29 HG21 VAL 29 11.154 18.171 27.932 880 HG22 VAL 29 HG22 VAL 29 10.670 18.886 29.471 881 HG23 VAL 29 HG23 VAL 29 10.433 17.146 29.193 882 H GLY 30 H GLY 30 7.616 18.849 25.250 883 HA2 GLY 30 HA2 GLY 30 5.563 18.950 24.158 884 HA3 GLY 30 HA3 GLY 30 4.948 17.602 25.147 885 H GLU 31 H GLU 31 6.038 21.015 25.474 886 HA GLU 31 HA GLU 31 4.291 21.689 27.724 887 HB2 GLU 31 HB2 GLU 31 4.901 23.943 27.319 888 HB3 GLU 31 HB3 GLU 31 6.369 22.949 27.077 889 HG2 GLU 31 HG2 GLU 31 6.186 23.210 24.650 890 HG3 GLU 31 HG3 GLU 31 4.613 23.983 24.788 891 H ARG 32 H ARG 32 2.717 23.697 27.303 892 HA ARG 32 HA ARG 32 1.190 23.576 24.860 893 HB2 ARG 32 HB2 ARG 32 0.030 21.829 26.114 894 HB3 ARG 32 HB3 ARG 32 -0.069 22.869 27.547 895 HG2 ARG 32 HG2 ARG 32 -2.224 22.704 26.365 896 HG3 ARG 32 HG3 ARG 32 -1.631 24.353 26.455 897 HD2 ARG 32 HD2 ARG 32 -0.741 24.026 24.042 898 HD3 ARG 32 HD3 ARG 32 -1.606 22.497 24.039 899 HE ARG 32 HE ARG 32 -3.554 23.635 23.651 900 HH11 ARG 32 HH11 ARG 32 -1.204 25.994 24.861 901 HH12 ARG 32 HH12 ARG 32 -2.337 27.299 24.845 902 HH21 ARG 32 HH21 ARG 32 -4.854 25.434 23.350 903 HH22 ARG 32 HH22 ARG 32 -4.308 27.017 23.836 Start of MODEL 4 1 H1 SER 2 H1 SER 2 38.304 45.861 39.496 2 H2 SER 2 H2 SER 2 38.716 47.419 39.826 3 H3 SER 2 H3 SER 2 37.134 46.972 39.806 4 HA SER 2 HA SER 2 39.214 46.121 41.697 5 HB2 SER 2 HB2 SER 2 36.809 47.941 42.050 6 HB3 SER 2 HB3 SER 2 37.792 47.297 43.391 7 HG SER 2 HG SER 2 38.465 49.396 42.542 8 H THR 3 H THR 3 38.395 43.966 40.600 9 HA THR 3 HA THR 3 36.315 42.781 42.408 10 HB THR 3 HB THR 3 37.286 41.757 39.720 11 HG1 THR 3 HG1 THR 3 36.180 43.536 39.303 12 HG21 THR 3 HG21 THR 3 34.914 40.983 41.482 13 HG22 THR 3 HG22 THR 3 35.249 40.361 39.852 14 HG23 THR 3 HG23 THR 3 36.358 39.984 41.179 15 H PHE 4 H PHE 4 37.371 42.045 44.149 16 HA PHE 4 HA PHE 4 40.043 41.258 44.353 17 HB2 PHE 4 HB2 PHE 4 38.646 42.020 46.196 18 HB3 PHE 4 HB3 PHE 4 37.601 40.621 46.042 19 HD1 PHE 4 HD1 PHE 4 38.253 38.436 46.910 20 HD2 PHE 4 HD2 PHE 4 40.909 41.816 47.221 21 HE1 PHE 4 HE1 PHE 4 39.618 37.210 48.581 22 HE2 PHE 4 HE2 PHE 4 42.281 40.584 48.886 23 HZ PHE 4 HZ PHE 4 41.631 38.281 49.574 24 H GLY 5 H GLY 5 41.180 39.339 44.442 25 HA2 GLY 5 HA2 GLY 5 40.237 37.078 42.930 26 HA3 GLY 5 HA3 GLY 5 41.769 37.228 43.785 27 H TYR 6 H TYR 6 38.301 36.604 44.349 28 HA TYR 6 HA TYR 6 38.626 35.108 46.791 29 HB2 TYR 6 HB2 TYR 6 36.450 34.969 44.672 30 HB3 TYR 6 HB3 TYR 6 36.355 34.244 46.274 31 HD1 TYR 6 HD1 TYR 6 35.833 37.278 44.357 32 HD2 TYR 6 HD2 TYR 6 36.542 35.768 48.339 33 HE1 TYR 6 HE1 TYR 6 35.059 39.435 45.312 34 HE2 TYR 6 HE2 TYR 6 35.809 37.955 49.284 35 HH TYR 6 HH TYR 6 34.412 40.527 47.335 36 H ARG 7 H ARG 7 38.324 32.775 47.078 37 HA ARG 7 HA ARG 7 40.099 31.337 45.123 38 HB2 ARG 7 HB2 ARG 7 39.982 31.064 48.145 39 HB3 ARG 7 HB3 ARG 7 41.125 30.281 47.041 40 HG2 ARG 7 HG2 ARG 7 42.013 32.526 46.395 41 HG3 ARG 7 HG3 ARG 7 40.911 33.270 47.566 42 HD2 ARG 7 HD2 ARG 7 41.999 31.821 49.360 43 HD3 ARG 7 HD3 ARG 7 43.218 31.380 48.150 44 HE ARG 7 HE ARG 7 42.590 34.240 48.800 45 HH11 ARG 7 HH11 ARG 7 45.040 31.747 49.049 46 HH12 ARG 7 HH12 ARG 7 46.348 32.909 49.127 47 HH21 ARG 7 HH21 ARG 7 44.230 35.610 48.802 48 HH22 ARG 7 HH22 ARG 7 45.879 35.084 49.076 49 H ARG 8 H ARG 8 37.011 31.036 46.588 50 HA ARG 8 HA ARG 8 36.867 28.103 46.319 51 HB2 ARG 8 HB2 ARG 8 34.502 28.330 46.785 52 HB3 ARG 8 HB3 ARG 8 35.427 29.234 47.969 53 HG2 ARG 8 HG2 ARG 8 34.815 31.343 47.017 54 HG3 ARG 8 HG3 ARG 8 34.217 30.601 45.530 55 HD2 ARG 8 HD2 ARG 8 32.367 29.534 46.727 56 HD3 ARG 8 HD3 ARG 8 32.986 30.141 48.268 57 HE ARG 8 HE ARG 8 32.268 32.311 47.760 58 HH11 ARG 8 HH11 ARG 8 31.620 30.368 44.849 59 HH12 ARG 8 HH12 ARG 8 30.505 31.601 44.273 60 HH21 ARG 8 HH21 ARG 8 31.046 33.761 46.857 61 HH22 ARG 8 HH22 ARG 8 30.352 33.510 45.255 62 H GLY 9 H GLY 9 35.176 27.096 44.916 63 HA2 GLY 9 HA2 GLY 9 35.198 27.813 42.133 64 HA3 GLY 9 HA3 GLY 9 33.993 26.798 42.931 65 H LEU 10 H LEU 10 34.060 29.271 41.000 66 HA LEU 10 HA LEU 10 31.991 30.977 42.324 67 HB2 LEU 10 HB2 LEU 10 33.906 31.616 40.044 68 HB3 LEU 10 HB3 LEU 10 32.699 32.704 40.698 69 HG LEU 10 HG LEU 10 35.171 31.684 42.155 70 HD11 LEU 10 HD11 LEU 10 35.604 33.364 40.395 71 HD12 LEU 10 HD12 LEU 10 34.420 34.456 41.146 72 HD13 LEU 10 HD13 LEU 10 35.908 34.015 42.015 73 HD21 LEU 10 HD21 LEU 10 33.397 32.032 43.792 74 HD22 LEU 10 HD22 LEU 10 34.565 33.346 43.910 75 HD23 LEU 10 HD23 LEU 10 33.008 33.622 43.095 76 H SER 11 H SER 11 30.019 31.176 41.369 77 HA SER 11 HA SER 11 29.280 29.480 39.110 78 HB2 SER 11 HB2 SER 11 27.681 29.963 40.865 79 HB3 SER 11 HB3 SER 11 27.793 31.707 40.549 80 HG SER 11 HG SER 11 26.015 30.343 39.522 81 H LYS 12 H LYS 12 28.425 30.223 37.054 82 HA LYS 12 HA LYS 12 29.873 32.309 35.698 83 HB2 LYS 12 HB2 LYS 12 28.895 30.327 34.626 84 HB3 LYS 12 HB3 LYS 12 27.268 30.922 34.974 85 HG2 LYS 12 HG2 LYS 12 27.654 32.894 33.561 86 HG3 LYS 12 HG3 LYS 12 29.318 32.377 33.239 87 HD2 LYS 12 HD2 LYS 12 26.800 30.834 32.475 88 HD3 LYS 12 HD3 LYS 12 27.699 31.905 31.400 89 HE2 LYS 12 HE2 LYS 12 29.679 30.500 31.506 90 HE3 LYS 12 HE3 LYS 12 28.939 29.455 32.733 91 HZ1 LYS 12 HZ1 LYS 12 27.657 29.792 30.107 92 HZ2 LYS 12 HZ2 LYS 12 28.868 28.683 30.327 93 HZ3 LYS 12 HZ3 LYS 12 27.471 28.575 31.201 94 H TYR 13 H TYR 13 26.879 32.337 37.530 95 HA TYR 13 HA TYR 13 25.798 34.883 36.892 96 HB2 TYR 13 HB2 TYR 13 24.544 33.379 38.198 97 HB3 TYR 13 HB3 TYR 13 25.851 33.082 39.322 98 HD1 TYR 13 HD1 TYR 13 23.118 35.410 38.426 99 HD2 TYR 13 HD2 TYR 13 26.231 34.448 41.253 100 HE1 TYR 13 HE1 TYR 13 22.115 36.986 40.067 101 HE2 TYR 13 HE2 TYR 13 25.226 36.009 42.894 102 HH TYR 13 HH TYR 13 22.377 38.030 42.105 103 H GLU 14 H GLU 14 28.490 34.071 39.085 104 HA GLU 14 HA GLU 14 28.836 36.963 39.761 105 HB2 GLU 14 HB2 GLU 14 30.019 36.202 41.742 106 HB3 GLU 14 HB3 GLU 14 28.389 35.533 41.659 107 HG2 GLU 14 HG2 GLU 14 29.404 33.417 40.688 108 HG3 GLU 14 HG3 GLU 14 30.995 34.089 41.056 109 H SER 15 H SER 15 30.229 34.542 37.818 110 HA SER 15 HA SER 15 32.963 35.549 37.772 111 HB2 SER 15 HB2 SER 15 31.485 33.816 35.756 112 HB3 SER 15 HB3 SER 15 33.228 34.116 35.798 113 HG SER 15 HG SER 15 31.681 32.824 37.809 114 H ILE 16 H ILE 16 31.564 37.800 37.637 115 HA ILE 16 HA ILE 16 31.093 38.695 34.868 116 HB ILE 16 HB ILE 16 31.022 40.228 37.488 117 HG12 ILE 16 HG12 ILE 16 29.281 38.574 37.570 118 HG13 ILE 16 HG13 ILE 16 28.552 40.132 37.248 119 HG21 ILE 16 HG21 ILE 16 30.107 41.045 34.696 120 HG22 ILE 16 HG22 ILE 16 29.694 41.910 36.192 121 HG23 ILE 16 HG23 ILE 16 31.375 41.799 35.684 122 HD11 ILE 16 HD11 ILE 16 28.362 39.495 34.806 123 HD12 ILE 16 HD12 ILE 16 28.989 37.885 35.235 124 HD13 ILE 16 HD13 ILE 16 27.453 38.440 35.901 125 H ASP 17 H ASP 17 32.337 40.116 33.696 126 HA ASP 17 HA ASP 17 35.170 39.933 34.163 127 HB2 ASP 17 HB2 ASP 17 33.725 41.495 32.011 128 HB3 ASP 17 HB3 ASP 17 35.402 40.932 31.996 129 H GLU 18 H GLU 18 36.663 41.432 34.645 130 HA GLU 18 HA GLU 18 35.964 43.585 36.412 131 HB2 GLU 18 HB2 GLU 18 37.910 42.109 36.693 132 HB3 GLU 18 HB3 GLU 18 38.541 42.610 35.135 133 HG2 GLU 18 HG2 GLU 18 39.877 43.747 36.587 134 HG3 GLU 18 HG3 GLU 18 38.713 44.989 36.141 135 H ASP 19 H ASP 19 35.325 45.646 35.822 136 HA ASP 19 HA ASP 19 35.572 46.457 33.071 137 HB2 ASP 19 HB2 ASP 19 34.329 48.445 33.681 138 HB3 ASP 19 HB3 ASP 19 33.562 46.965 34.222 139 H GLU 20 H GLU 20 37.777 46.845 35.612 140 HA GLU 20 HA GLU 20 39.217 49.185 34.843 141 HB2 GLU 20 HB2 GLU 20 39.655 47.533 36.793 142 HB3 GLU 20 HB3 GLU 20 40.406 46.490 35.600 143 HG2 GLU 20 HG2 GLU 20 42.181 47.625 36.623 144 HG3 GLU 20 HG3 GLU 20 42.016 48.375 35.041 145 H LEU 21 H LEU 21 38.967 45.980 33.311 146 HA LEU 21 HA LEU 21 41.068 46.346 31.363 147 HB2 LEU 21 HB2 LEU 21 38.567 44.608 31.261 148 HB3 LEU 21 HB3 LEU 21 39.983 44.434 30.230 149 HG LEU 21 HG LEU 21 39.997 44.045 33.266 150 HD11 LEU 21 HD11 LEU 21 40.165 41.656 32.752 151 HD12 LEU 21 HD12 LEU 21 38.660 42.338 32.118 152 HD13 LEU 21 HD13 LEU 21 40.015 41.998 31.013 153 HD21 LEU 21 HD21 LEU 21 42.113 43.449 31.149 154 HD22 LEU 21 HD22 LEU 21 42.214 44.692 32.419 155 HD23 LEU 21 HD23 LEU 21 42.200 42.984 32.862 156 H LEU 22 H LEU 22 37.661 47.329 31.451 157 HA LEU 22 HA LEU 22 37.532 48.098 28.621 158 HB2 LEU 22 HB2 LEU 22 35.778 49.014 30.936 159 HB3 LEU 22 HB3 LEU 22 35.438 49.183 29.223 160 HG LEU 22 HG LEU 22 35.540 46.557 30.774 161 HD11 LEU 22 HD11 LEU 22 33.123 46.539 30.361 162 HD12 LEU 22 HD12 LEU 22 33.584 47.999 31.248 163 HD13 LEU 22 HD13 LEU 22 33.231 48.094 29.508 164 HD21 LEU 22 HD21 LEU 22 34.598 45.573 28.675 165 HD22 LEU 22 HD22 LEU 22 34.910 47.116 27.847 166 HD23 LEU 22 HD23 LEU 22 36.258 46.147 28.480 167 H ALA 23 H ALA 23 38.383 49.686 31.696 168 HA ALA 23 HA ALA 23 38.389 52.350 30.731 169 HB1 ALA 23 HB1 ALA 23 38.462 51.666 33.130 170 HB2 ALA 23 HB2 ALA 23 40.148 51.144 32.908 171 HB3 ALA 23 HB3 ALA 23 39.719 52.850 32.708 172 H SER 24 H SER 24 40.739 49.796 30.230 173 HA SER 24 HA SER 24 42.978 51.380 29.412 174 HB2 SER 24 HB2 SER 24 43.952 49.348 28.728 175 HB3 SER 24 HB3 SER 24 42.962 48.933 30.129 176 HG SER 24 HG SER 24 41.442 48.001 28.743 177 H LEU 25 H LEU 25 40.042 50.979 27.724 178 HA LEU 25 HA LEU 25 41.186 50.784 25.023 179 HB2 LEU 25 HB2 LEU 25 38.311 51.073 25.969 180 HB3 LEU 25 HB3 LEU 25 38.825 50.697 24.330 181 HG LEU 25 HG LEU 25 39.165 48.913 26.786 182 HD11 LEU 25 HD11 LEU 25 36.882 49.032 25.889 183 HD12 LEU 25 HD12 LEU 25 37.479 48.619 24.265 184 HD13 LEU 25 HD13 LEU 25 37.601 47.443 25.597 185 HD21 LEU 25 HD21 LEU 25 39.928 47.195 25.107 186 HD22 LEU 25 HD22 LEU 25 40.097 48.517 23.917 187 HD23 LEU 25 HD23 LEU 25 41.075 48.501 25.391 188 H SER 26 H SER 26 40.931 52.295 23.322 189 HA SER 26 HA SER 26 40.959 55.105 24.055 190 HB2 SER 26 HB2 SER 26 41.045 55.539 21.674 191 HB3 SER 26 HB3 SER 26 42.156 54.218 22.078 192 HG SER 26 HG SER 26 40.810 52.767 21.217 193 H ALA 27 H ALA 27 39.438 56.750 23.322 194 HA ALA 27 HA ALA 27 36.735 56.307 23.946 195 HB1 ALA 27 HB1 ALA 27 36.393 58.545 22.939 196 HB2 ALA 27 HB2 ALA 27 37.840 58.508 23.960 197 HB3 ALA 27 HB3 ALA 27 38.000 58.460 22.187 198 H GLU 28 H GLU 28 38.333 55.785 20.846 199 HA GLU 28 HA GLU 28 35.829 55.543 19.321 200 HB2 GLU 28 HB2 GLU 28 38.690 54.832 18.571 201 HB3 GLU 28 HB3 GLU 28 37.315 54.955 17.471 202 HG2 GLU 28 HG2 GLU 28 38.623 57.224 19.048 203 HG3 GLU 28 HG3 GLU 28 38.709 56.959 17.321 204 H GLU 29 H GLU 29 38.242 53.294 20.759 205 HA GLU 29 HA GLU 29 36.985 50.866 19.827 206 HB2 GLU 29 HB2 GLU 29 38.876 51.579 22.084 207 HB3 GLU 29 HB3 GLU 29 38.252 49.944 21.915 208 HG2 GLU 29 HG2 GLU 29 39.212 49.645 19.751 209 HG3 GLU 29 HG3 GLU 29 39.577 51.361 19.582 210 H LEU 30 H LEU 30 36.365 52.925 22.663 211 HA LEU 30 HA LEU 30 34.444 51.173 23.897 212 HB2 LEU 30 HB2 LEU 30 34.873 54.175 23.993 213 HB3 LEU 30 HB3 LEU 30 33.662 53.364 24.972 214 HG LEU 30 HG LEU 30 36.645 52.679 25.093 215 HD11 LEU 30 HD11 LEU 30 36.645 53.958 27.202 216 HD12 LEU 30 HD12 LEU 30 36.274 54.991 25.825 217 HD13 LEU 30 HD13 LEU 30 34.962 54.466 26.908 218 HD21 LEU 30 HD21 LEU 30 36.014 51.648 27.260 219 HD22 LEU 30 HD22 LEU 30 34.299 52.005 26.946 220 HD23 LEU 30 HD23 LEU 30 35.196 50.864 25.918 221 H LYS 31 H LYS 31 34.138 53.147 21.029 222 HA LYS 31 HA LYS 31 31.173 52.920 20.955 223 HB2 LYS 31 HB2 LYS 31 33.095 53.692 18.719 224 HB3 LYS 31 HB3 LYS 31 31.350 53.907 18.744 225 HG2 LYS 31 HG2 LYS 31 31.484 55.621 20.456 226 HG3 LYS 31 HG3 LYS 31 33.207 55.302 20.697 227 HD2 LYS 31 HD2 LYS 31 33.616 55.926 18.285 228 HD3 LYS 31 HD3 LYS 31 31.923 56.462 18.202 229 HE2 LYS 31 HE2 LYS 31 32.328 58.104 19.983 230 HE3 LYS 31 HE3 LYS 31 33.971 57.476 20.225 231 HZ1 LYS 31 HZ1 LYS 31 34.030 59.439 18.853 232 HZ2 LYS 31 HZ2 LYS 31 34.506 58.162 17.963 233 HZ3 LYS 31 HZ3 LYS 31 32.982 58.769 17.747 234 H GLU 32 H GLU 32 34.036 51.340 19.566 235 HA GLU 32 HA GLU 32 32.618 49.632 17.767 236 HB2 GLU 32 HB2 GLU 32 35.046 50.299 17.645 237 HB3 GLU 32 HB3 GLU 32 35.367 49.233 19.017 238 HG2 GLU 32 HG2 GLU 32 35.956 48.173 16.889 239 HG3 GLU 32 HG3 GLU 32 34.678 47.279 17.717 240 H LEU 33 H LEU 33 33.678 49.098 21.131 241 HA LEU 33 HA LEU 33 32.528 46.428 21.263 242 HB2 LEU 33 HB2 LEU 33 34.324 47.169 22.762 243 HB3 LEU 33 HB3 LEU 33 33.290 48.444 23.424 244 HG LEU 33 HG LEU 33 31.789 46.733 24.396 245 HD11 LEU 33 HD11 LEU 33 32.043 44.863 22.838 246 HD12 LEU 33 HD12 LEU 33 33.766 44.723 23.259 247 HD13 LEU 33 HD13 LEU 33 32.510 44.348 24.464 248 HD21 LEU 33 HD21 LEU 33 34.713 46.286 25.060 249 HD22 LEU 33 HD22 LEU 33 33.684 47.590 25.697 250 HD23 LEU 33 HD23 LEU 33 33.328 45.898 26.110 251 H GLU 34 H GLU 34 31.259 49.707 22.033 252 HA GLU 34 HA GLU 34 28.783 48.940 23.139 253 HB2 GLU 34 HB2 GLU 34 29.571 51.164 23.340 254 HB3 GLU 34 HB3 GLU 34 29.697 51.346 21.582 255 HG2 GLU 34 HG2 GLU 34 27.236 51.298 21.372 256 HG3 GLU 34 HG3 GLU 34 27.096 51.149 23.133 257 H ARG 35 H ARG 35 29.667 49.398 19.723 258 HA ARG 35 HA ARG 35 27.165 48.847 18.480 259 HB2 ARG 35 HB2 ARG 35 30.070 48.424 17.643 260 HB3 ARG 35 HB3 ARG 35 28.768 47.818 16.646 261 HG2 ARG 35 HG2 ARG 35 27.740 50.046 16.543 262 HG3 ARG 35 HG3 ARG 35 29.076 50.720 17.500 263 HD2 ARG 35 HD2 ARG 35 29.539 49.204 14.881 264 HD3 ARG 35 HD3 ARG 35 29.114 50.912 14.882 265 HE ARG 35 HE ARG 35 31.715 49.811 15.439 266 HH11 ARG 35 HH11 ARG 35 29.685 52.582 16.246 267 HH12 ARG 35 HH12 ARG 35 31.081 53.646 16.248 268 HH21 ARG 35 HH21 ARG 35 33.337 51.116 15.670 269 HH22 ARG 35 HH22 ARG 35 33.121 52.830 16.050 270 H GLU 36 H GLU 36 29.542 46.420 19.673 271 HA GLU 36 HA GLU 36 28.099 44.208 18.504 272 HB2 GLU 36 HB2 GLU 36 30.538 44.273 19.205 273 HB3 GLU 36 HB3 GLU 36 29.992 44.157 20.880 274 HG2 GLU 36 HG2 GLU 36 30.688 41.972 20.052 275 HG3 GLU 36 HG3 GLU 36 28.961 41.948 20.397 276 H LEU 37 H LEU 37 27.689 46.014 21.432 277 HA LEU 37 HA LEU 37 25.958 44.020 22.702 278 HB2 LEU 37 HB2 LEU 37 26.948 46.754 23.592 279 HB3 LEU 37 HB3 LEU 37 25.974 45.643 24.598 280 HG LEU 37 HG LEU 37 28.712 44.887 23.530 281 HD11 LEU 37 HD11 LEU 37 27.974 46.001 26.244 282 HD12 LEU 37 HD12 LEU 37 29.567 45.391 25.757 283 HD13 LEU 37 HD13 LEU 37 28.912 46.847 24.987 284 HD21 LEU 37 HD21 LEU 37 27.295 42.968 24.153 285 HD22 LEU 37 HD22 LEU 37 28.616 43.195 25.311 286 HD23 LEU 37 HD23 LEU 37 26.980 43.728 25.728 287 H GLU 38 H GLU 38 25.274 46.176 20.275 288 HA GLU 38 HA GLU 38 22.898 47.443 21.333 289 HB2 GLU 38 HB2 GLU 38 23.736 46.866 18.474 290 HB3 GLU 38 HB3 GLU 38 22.393 47.911 18.941 291 HG2 GLU 38 HG2 GLU 38 25.315 48.378 19.674 292 HG3 GLU 38 HG3 GLU 38 24.448 49.180 18.375 293 H ASP 39 H ASP 39 23.320 44.352 19.628 294 HA ASP 39 HA ASP 39 20.503 43.774 19.444 295 HB2 ASP 39 HB2 ASP 39 22.747 41.749 19.567 296 HB3 ASP 39 HB3 ASP 39 21.166 41.559 18.825 297 H ILE 40 H ILE 40 22.323 44.060 22.246 298 HA ILE 40 HA ILE 40 20.856 42.022 23.827 299 HB ILE 40 HB ILE 40 22.702 44.227 24.788 300 HG12 ILE 40 HG12 ILE 40 24.040 42.868 23.317 301 HG13 ILE 40 HG13 ILE 40 24.485 42.542 24.979 302 HG21 ILE 40 HG21 ILE 40 21.341 43.406 26.600 303 HG22 ILE 40 HG22 ILE 40 21.664 41.724 26.167 304 HG23 ILE 40 HG23 ILE 40 22.965 42.753 26.798 305 HD11 ILE 40 HD11 ILE 40 22.744 40.751 23.219 306 HD12 ILE 40 HD12 ILE 40 24.436 40.486 23.655 307 HD13 ILE 40 HD13 ILE 40 23.184 40.416 24.910 308 H GLU 41 H GLU 41 20.663 45.451 23.015 309 HA GLU 41 HA GLU 41 19.098 46.356 25.219 310 HB2 GLU 41 HB2 GLU 41 19.385 47.475 22.403 311 HB3 GLU 41 HB3 GLU 41 18.496 48.274 23.720 312 HG2 GLU 41 HG2 GLU 41 20.515 48.182 25.152 313 HG3 GLU 41 HG3 GLU 41 21.432 47.450 23.834 314 H1 GLY 0 H1 GLY 0 33.414 56.613 29.533 315 H2 GLY 0 H2 GLY 0 32.844 55.639 28.319 316 H3 GLY 0 H3 GLY 0 34.379 55.426 28.922 317 HA2 GLY 0 HA2 GLY 0 32.740 53.758 29.697 318 HA3 GLY 0 HA3 GLY 0 33.648 54.626 30.950 319 H MET 1 H MET 1 30.699 53.512 30.363 320 HA MET 1 HA MET 1 29.616 55.092 32.462 321 HB2 MET 1 HB2 MET 1 27.573 55.904 31.443 322 HB3 MET 1 HB3 MET 1 28.980 56.614 30.681 323 HG2 MET 1 HG2 MET 1 27.741 56.202 28.845 324 HG3 MET 1 HG3 MET 1 28.651 54.697 28.885 325 HE1 MET 1 HE1 MET 1 25.067 53.867 27.410 326 HE2 MET 1 HE2 MET 1 25.838 55.466 27.304 327 HE3 MET 1 HE3 MET 1 26.807 53.995 27.072 328 H ASP 2 H ASP 2 28.254 53.935 33.625 329 HA ASP 2 HA ASP 2 28.909 51.319 33.567 330 HB2 ASP 2 HB2 ASP 2 26.638 52.476 35.205 331 HB3 ASP 2 HB3 ASP 2 27.609 51.058 35.590 332 H ALA 3 H ALA 3 26.032 52.544 32.064 333 HA ALA 3 HA ALA 3 24.408 50.204 32.045 334 HB1 ALA 3 HB1 ALA 3 23.809 52.603 31.326 335 HB2 ALA 3 HB2 ALA 3 24.621 52.232 29.790 336 HB3 ALA 3 HB3 ALA 3 23.210 51.298 30.289 337 H ILE 4 H ILE 4 27.308 51.020 30.167 338 HA ILE 4 HA ILE 4 26.985 49.035 28.091 339 HB ILE 4 HB ILE 4 29.468 50.401 29.198 340 HG12 ILE 4 HG12 ILE 4 27.918 52.008 28.205 341 HG13 ILE 4 HG13 ILE 4 29.376 51.844 27.249 342 HG21 ILE 4 HG21 ILE 4 30.541 49.738 27.021 343 HG22 ILE 4 HG22 ILE 4 30.234 48.390 28.114 344 HG23 ILE 4 HG23 ILE 4 29.166 48.656 26.723 345 HD11 ILE 4 HD11 ILE 4 27.434 52.035 25.795 346 HD12 ILE 4 HD12 ILE 4 28.141 50.429 25.599 347 HD13 ILE 4 HD13 ILE 4 26.655 50.642 26.560 348 H LYS 5 H LYS 5 28.844 48.936 31.202 349 HA LYS 5 HA LYS 5 29.510 46.136 30.820 350 HB2 LYS 5 HB2 LYS 5 30.280 46.096 33.091 351 HB3 LYS 5 HB3 LYS 5 30.923 47.488 32.230 352 HG2 LYS 5 HG2 LYS 5 29.418 48.996 33.401 353 HG3 LYS 5 HG3 LYS 5 28.577 47.633 34.181 354 HD2 LYS 5 HD2 LYS 5 30.674 46.996 35.330 355 HD3 LYS 5 HD3 LYS 5 31.516 48.336 34.527 356 HE2 LYS 5 HE2 LYS 5 30.086 49.971 35.658 357 HE3 LYS 5 HE3 LYS 5 29.150 48.669 36.426 358 HZ1 LYS 5 HZ1 LYS 5 32.067 49.074 36.819 359 HZ2 LYS 5 HZ2 LYS 5 30.909 49.614 37.868 360 HZ3 LYS 5 HZ3 LYS 5 31.118 48.009 37.637 361 H LYS 6 H LYS 6 26.702 47.729 32.322 362 HA LYS 6 HA LYS 6 25.578 45.298 33.335 363 HB2 LYS 6 HB2 LYS 6 24.901 47.702 33.857 364 HB3 LYS 6 HB3 LYS 6 23.916 47.652 32.384 365 HG2 LYS 6 HG2 LYS 6 22.606 45.783 33.273 366 HG3 LYS 6 HG3 LYS 6 23.727 45.581 34.630 367 HD2 LYS 6 HD2 LYS 6 23.125 47.862 35.445 368 HD3 LYS 6 HD3 LYS 6 21.908 47.984 34.174 369 HE2 LYS 6 HE2 LYS 6 21.976 45.835 36.361 370 HE3 LYS 6 HE3 LYS 6 21.029 47.331 36.431 371 HZ1 LYS 6 HZ1 LYS 6 19.590 45.656 35.660 372 HZ2 LYS 6 HZ2 LYS 6 19.926 46.582 34.350 373 HZ3 LYS 6 HZ3 LYS 6 20.651 45.091 34.543 374 H LYS 7 H LYS 7 25.475 46.596 29.988 375 HA LYS 7 HA LYS 7 23.704 44.508 29.013 376 HB2 LYS 7 HB2 LYS 7 25.832 46.091 27.495 377 HB3 LYS 7 HB3 LYS 7 24.680 44.960 26.779 378 HG2 LYS 7 HG2 LYS 7 22.839 46.381 27.927 379 HG3 LYS 7 HG3 LYS 7 24.089 47.612 28.114 380 HD2 LYS 7 HD2 LYS 7 23.242 46.386 25.470 381 HD3 LYS 7 HD3 LYS 7 22.584 47.868 26.140 382 HE2 LYS 7 HE2 LYS 7 24.745 48.992 26.012 383 HE3 LYS 7 HE3 LYS 7 25.522 47.497 25.451 384 HZ1 LYS 7 HZ1 LYS 7 23.957 47.578 23.520 385 HZ2 LYS 7 HZ2 LYS 7 23.427 49.047 24.013 386 HZ3 LYS 7 HZ3 LYS 7 24.945 48.876 23.497 387 H MET 8 H MET 8 27.266 44.549 29.437 388 HA MET 8 HA MET 8 27.647 41.893 28.346 389 HB2 MET 8 HB2 MET 8 29.352 43.180 30.506 390 HB3 MET 8 HB3 MET 8 29.791 41.888 29.388 391 HG2 MET 8 HG2 MET 8 29.366 43.616 27.514 392 HG3 MET 8 HG3 MET 8 29.392 44.829 28.794 393 HE1 MET 8 HE1 MET 8 31.799 43.014 30.614 394 HE2 MET 8 HE2 MET 8 33.141 44.088 30.194 395 HE3 MET 8 HE3 MET 8 31.559 44.777 30.631 396 H GLN 9 H GLN 9 27.028 43.058 31.691 397 HA GLN 9 HA GLN 9 27.033 40.516 32.964 398 HB2 GLN 9 HB2 GLN 9 27.091 42.654 34.176 399 HB3 GLN 9 HB3 GLN 9 25.451 43.029 33.633 400 HG2 GLN 9 HG2 GLN 9 24.569 41.088 34.884 401 HG3 GLN 9 HG3 GLN 9 26.204 40.649 35.379 402 HE21 GLN 9 HE21 GLN 9 25.827 42.621 38.279 403 HE22 GLN 9 HE22 GLN 9 26.089 40.998 37.639 404 H MET 10 H MET 10 24.226 42.316 31.540 405 HA MET 10 HA MET 10 22.261 40.350 31.993 406 HB2 MET 10 HB2 MET 10 21.746 42.606 31.312 407 HB3 MET 10 HB3 MET 10 22.563 42.392 29.760 408 HG2 MET 10 HG2 MET 10 20.912 40.779 29.025 409 HG3 MET 10 HG3 MET 10 20.133 40.770 30.609 410 HE1 MET 10 HE1 MET 10 18.142 44.044 30.767 411 HE2 MET 10 HE2 MET 10 18.318 42.383 31.372 412 HE3 MET 10 HE3 MET 10 19.629 43.561 31.613 413 H LEU 11 H LEU 11 24.433 40.647 29.121 414 HA LEU 11 HA LEU 11 23.467 38.399 27.707 415 HB2 LEU 11 HB2 LEU 11 24.916 40.081 26.736 416 HB3 LEU 11 HB3 LEU 11 26.205 39.711 27.871 417 HG LEU 11 HG LEU 11 26.571 37.517 26.831 418 HD11 LEU 11 HD11 LEU 11 24.294 37.053 25.981 419 HD12 LEU 11 HD12 LEU 11 24.462 38.359 24.794 420 HD13 LEU 11 HD13 LEU 11 25.501 36.923 24.700 421 HD21 LEU 11 HD21 LEU 11 26.519 39.859 24.880 422 HD22 LEU 11 HD22 LEU 11 27.820 39.448 26.017 423 HD23 LEU 11 HD23 LEU 11 27.453 38.369 24.662 424 H LYS 12 H LYS 12 25.964 38.491 30.292 425 HA LYS 12 HA LYS 12 26.428 35.611 30.132 426 HB2 LYS 12 HB2 LYS 12 28.098 37.402 30.861 427 HB3 LYS 12 HB3 LYS 12 27.257 37.439 32.420 428 HG2 LYS 12 HG2 LYS 12 27.688 35.024 32.720 429 HG3 LYS 12 HG3 LYS 12 28.428 34.927 31.121 430 HD2 LYS 12 HD2 LYS 12 29.529 36.370 33.562 431 HD3 LYS 12 HD3 LYS 12 30.130 34.883 32.829 432 HE2 LYS 12 HE2 LYS 12 30.537 36.263 30.685 433 HE3 LYS 12 HE3 LYS 12 30.213 37.696 31.671 434 HZ1 LYS 12 HZ1 LYS 12 32.470 37.491 31.820 435 HZ2 LYS 12 HZ2 LYS 12 32.039 36.690 33.187 436 HZ3 LYS 12 HZ3 LYS 12 32.492 35.839 31.858 437 H LEU 13 H LEU 13 24.358 37.649 32.188 438 HA LEU 13 HA LEU 13 23.494 35.521 33.944 439 HB2 LEU 13 HB2 LEU 13 22.265 38.188 33.146 440 HB3 LEU 13 HB3 LEU 13 21.507 37.100 34.299 441 HG LEU 13 HG LEU 13 24.260 38.357 34.686 442 HD11 LEU 13 HD11 LEU 13 21.570 38.950 35.995 443 HD12 LEU 13 HD12 LEU 13 23.121 39.723 36.383 444 HD13 LEU 13 HD13 LEU 13 22.375 39.977 34.791 445 HD21 LEU 13 HD21 LEU 13 22.527 36.677 36.534 446 HD22 LEU 13 HD22 LEU 13 24.124 36.234 35.884 447 HD23 LEU 13 HD23 LEU 13 23.985 37.567 37.028 448 H ASP 14 H ASP 14 22.105 36.767 30.848 449 HA ASP 14 HA ASP 14 20.014 34.782 30.765 450 HB2 ASP 14 HB2 ASP 14 21.356 36.504 28.666 451 HB3 ASP 14 HB3 ASP 14 20.235 35.229 28.211 452 H ASN 15 H ASN 15 23.445 34.655 29.567 453 HA ASN 15 HA ASN 15 23.213 32.038 28.432 454 HB2 ASN 15 HB2 ASN 15 25.151 33.591 28.109 455 HB3 ASN 15 HB3 ASN 15 25.646 33.296 29.777 456 HD21 ASN 15 HD21 ASN 15 26.296 30.419 26.944 457 HD22 ASN 15 HD22 ASN 15 25.147 31.723 26.618 458 H TYR 16 H TYR 16 24.008 32.999 31.810 459 HA TYR 16 HA TYR 16 24.239 30.325 32.817 460 HB2 TYR 16 HB2 TYR 16 25.129 32.308 33.966 461 HB3 TYR 16 HB3 TYR 16 23.500 32.914 34.226 462 HD1 TYR 16 HD1 TYR 16 25.337 29.651 34.768 463 HD2 TYR 16 HD2 TYR 16 22.716 32.648 36.432 464 HE1 TYR 16 HE1 TYR 16 25.327 28.434 36.929 465 HE2 TYR 16 HE2 TYR 16 22.715 31.421 38.608 466 HH TYR 16 HH TYR 16 23.902 28.206 38.869 467 H HIS 17 H HIS 17 21.388 32.499 32.539 468 HA HIS 17 HA HIS 17 19.519 30.741 33.863 469 HB2 HIS 17 HB2 HIS 17 19.143 33.179 33.352 470 HB3 HIS 17 HB3 HIS 17 18.981 32.767 31.647 471 HD2 HIS 17 HD2 HIS 17 16.637 31.759 30.862 472 HE1 HIS 17 HE1 HIS 17 14.758 31.477 34.679 473 HE2 HIS 17 HE2 HIS 17 14.390 31.290 32.159 474 H LEU 18 H LEU 18 20.405 31.117 30.411 475 HA LEU 18 HA LEU 18 18.635 29.131 29.400 476 HB2 LEU 18 HB2 LEU 18 21.237 30.325 28.386 477 HB3 LEU 18 HB3 LEU 18 20.306 29.160 27.462 478 HG LEU 18 HG LEU 18 19.090 31.786 28.401 479 HD11 LEU 18 HD11 LEU 18 21.058 32.236 26.960 480 HD12 LEU 18 HD12 LEU 18 20.383 31.162 25.712 481 HD13 LEU 18 HD13 LEU 18 19.537 32.660 26.159 482 HD21 LEU 18 HD21 LEU 18 17.446 30.099 27.759 483 HD22 LEU 18 HD22 LEU 18 17.519 31.373 26.538 484 HD23 LEU 18 HD23 LEU 18 18.301 29.809 26.223 485 H GLU 19 H GLU 19 22.141 28.748 30.381 486 HA GLU 19 HA GLU 19 22.057 25.944 29.700 487 HB2 GLU 19 HB2 GLU 19 24.169 25.699 30.632 488 HB3 GLU 19 HB3 GLU 19 24.142 27.296 29.888 489 HG2 GLU 19 HG2 GLU 19 23.743 28.259 32.190 490 HG3 GLU 19 HG3 GLU 19 23.976 26.644 32.864 491 H ASN 20 H ASN 20 21.129 27.637 32.684 492 HA ASN 20 HA ASN 20 20.708 25.197 34.229 493 HB2 ASN 20 HB2 ASN 20 19.839 28.091 34.516 494 HB3 ASN 20 HB3 ASN 20 19.082 26.825 35.476 495 HD21 ASN 20 HD21 ASN 20 22.949 27.786 36.341 496 HD22 ASN 20 HD22 ASN 20 22.254 28.327 34.808 497 H GLU 21 H GLU 21 18.535 27.204 32.150 498 HA GLU 21 HA GLU 21 16.217 25.557 32.529 499 HB2 GLU 21 HB2 GLU 21 17.099 27.471 30.336 500 HB3 GLU 21 HB3 GLU 21 15.621 26.537 30.177 501 HG2 GLU 21 HG2 GLU 21 16.177 28.430 32.495 502 HG3 GLU 21 HG3 GLU 21 15.253 28.840 31.042 503 H VAL 22 H VAL 22 18.771 25.389 29.984 504 HA VAL 22 HA VAL 22 17.673 23.105 28.656 505 HB VAL 22 HB VAL 22 20.540 24.093 28.893 506 HG11 VAL 22 HG11 VAL 22 19.426 21.909 27.101 507 HG12 VAL 22 HG12 VAL 22 21.041 22.633 26.948 508 HG13 VAL 22 HG13 VAL 22 20.648 21.682 28.382 509 HG21 VAL 22 HG21 VAL 22 18.468 24.171 26.640 510 HG22 VAL 22 HG22 VAL 22 18.991 25.550 27.620 511 HG23 VAL 22 HG23 VAL 22 20.134 24.772 26.526 512 H ALA 23 H ALA 23 20.005 23.230 31.428 513 HA ALA 23 HA ALA 23 20.172 20.408 31.760 514 HB1 ALA 23 HB1 ALA 23 20.437 22.666 33.796 515 HB2 ALA 23 HB2 ALA 23 20.985 20.992 34.028 516 HB3 ALA 23 HB3 ALA 23 21.731 22.004 32.777 517 H ARG 24 H ARG 24 17.867 22.747 33.272 518 HA ARG 24 HA ARG 24 16.492 20.856 34.943 519 HB2 ARG 24 HB2 ARG 24 16.340 23.329 35.190 520 HB3 ARG 24 HB3 ARG 24 15.472 23.437 33.655 521 HG2 ARG 24 HG2 ARG 24 13.620 22.044 34.633 522 HG3 ARG 24 HG3 ARG 24 14.523 21.959 36.149 523 HD2 ARG 24 HD2 ARG 24 12.854 23.648 36.428 524 HD3 ARG 24 HD3 ARG 24 14.404 24.472 36.294 525 HE ARG 24 HE ARG 24 13.765 25.432 34.258 526 HH11 ARG 24 HH11 ARG 24 11.168 23.286 35.240 527 HH12 ARG 24 HH12 ARG 24 10.062 24.023 34.095 528 HH21 ARG 24 HH21 ARG 24 12.382 26.195 32.798 529 HH22 ARG 24 HH22 ARG 24 10.753 25.526 32.673 530 H LEU 25 H LEU 25 15.687 22.053 31.674 531 HA LEU 25 HA LEU 25 13.357 20.392 31.421 532 HB2 LEU 25 HB2 LEU 25 15.021 21.794 29.312 533 HB3 LEU 25 HB3 LEU 25 13.407 21.101 29.079 534 HG LEU 25 HG LEU 25 13.877 23.307 31.131 535 HD11 LEU 25 HD11 LEU 25 13.206 24.942 29.474 536 HD12 LEU 25 HD12 LEU 25 14.662 24.117 28.911 537 HD13 LEU 25 HD13 LEU 25 13.081 23.690 28.215 538 HD21 LEU 25 HD21 LEU 25 11.501 23.737 30.760 539 HD22 LEU 25 HD22 LEU 25 11.441 22.435 29.551 540 HD23 LEU 25 HD23 LEU 25 11.750 22.061 31.265 541 H LYS 26 H LYS 26 16.771 19.866 30.257 542 HA LYS 26 HA LYS 26 16.207 17.335 29.003 543 HB2 LYS 26 HB2 LYS 26 18.735 18.469 30.270 544 HB3 LYS 26 HB3 LYS 26 18.667 16.849 29.562 545 HG2 LYS 26 HG2 LYS 26 17.889 17.789 27.415 546 HG3 LYS 26 HG3 LYS 26 18.023 19.420 28.065 547 HD2 LYS 26 HD2 LYS 26 20.464 19.003 28.492 548 HD3 LYS 26 HD3 LYS 26 20.320 17.429 27.691 549 HE2 LYS 26 HE2 LYS 26 19.540 20.076 26.400 550 HE3 LYS 26 HE3 LYS 26 21.164 19.395 26.253 551 HZ1 LYS 26 HZ1 LYS 26 19.430 18.957 24.454 552 HZ2 LYS 26 HZ2 LYS 26 20.365 17.687 24.916 553 HZ3 LYS 26 HZ3 LYS 26 18.802 17.806 25.431 554 H LYS 27 H LYS 27 16.936 18.074 32.429 555 HA LYS 27 HA LYS 27 16.839 15.307 33.260 556 HB2 LYS 27 HB2 LYS 27 17.994 17.177 34.424 557 HB3 LYS 27 HB3 LYS 27 16.427 17.818 34.937 558 HG2 LYS 27 HG2 LYS 27 16.002 15.861 36.304 559 HG3 LYS 27 HG3 LYS 27 17.361 14.981 35.572 560 HD2 LYS 27 HD2 LYS 27 18.956 16.592 36.548 561 HD3 LYS 27 HD3 LYS 27 17.617 17.488 37.292 562 HE2 LYS 27 HE2 LYS 27 17.022 15.576 38.671 563 HE3 LYS 27 HE3 LYS 27 18.186 14.539 37.826 564 HZ1 LYS 27 HZ1 LYS 27 18.915 16.917 39.450 565 HZ2 LYS 27 HZ2 LYS 27 19.075 15.385 39.953 566 HZ3 LYS 27 HZ3 LYS 27 19.985 15.893 38.713 567 H LEU 28 H LEU 28 14.256 17.622 32.696 568 HA LEU 28 HA LEU 28 12.201 15.883 33.893 569 HB2 LEU 28 HB2 LEU 28 12.076 18.373 32.163 570 HB3 LEU 28 HB3 LEU 28 10.646 17.521 32.728 571 HG LEU 28 HG LEU 28 12.742 18.632 34.645 572 HD11 LEU 28 HD11 LEU 28 10.152 19.912 33.686 573 HD12 LEU 28 HD12 LEU 28 11.194 20.517 34.992 574 HD13 LEU 28 HD13 LEU 28 11.799 20.477 33.329 575 HD21 LEU 28 HD21 LEU 28 9.840 17.793 35.055 576 HD22 LEU 28 HD22 LEU 28 11.269 16.901 35.619 577 HD23 LEU 28 HD23 LEU 28 10.918 18.496 36.287 578 H VAL 29 H VAL 29 13.342 16.555 30.544 579 HA VAL 29 HA VAL 29 11.485 14.686 29.320 580 HB VAL 29 HB VAL 29 14.078 15.902 28.304 581 HG11 VAL 29 HG11 VAL 29 13.587 13.857 26.979 582 HG12 VAL 29 HG12 VAL 29 11.925 14.429 26.717 583 HG13 VAL 29 HG13 VAL 29 13.307 15.310 26.033 584 HG21 VAL 29 HG21 VAL 29 12.572 17.355 26.975 585 HG22 VAL 29 HG22 VAL 29 11.159 16.600 27.748 586 HG23 VAL 29 HG23 VAL 29 12.302 17.562 28.700 587 H GLY 30 H GLY 30 14.755 14.343 30.625 588 HA2 GLY 30 HA2 GLY 30 15.633 12.326 31.473 589 HA3 GLY 30 HA3 GLY 30 14.556 11.386 30.439 590 H GLU 31 H GLU 31 16.275 13.978 28.852 591 HA GLU 31 HA GLU 31 17.589 12.200 27.001 592 HB2 GLU 31 HB2 GLU 31 18.139 15.155 27.507 593 HB3 GLU 31 HB3 GLU 31 18.606 14.210 26.089 594 HG2 GLU 31 HG2 GLU 31 16.088 13.776 25.741 595 HG3 GLU 31 HG3 GLU 31 15.821 15.061 26.933 596 H ARG 32 H ARG 32 19.852 11.848 26.624 597 HA ARG 32 HA ARG 32 21.828 12.646 28.672 598 HB2 ARG 32 HB2 ARG 32 21.382 9.725 27.914 599 HB3 ARG 32 HB3 ARG 32 22.710 10.354 28.897 600 HG2 ARG 32 HG2 ARG 32 21.035 11.119 30.601 601 HG3 ARG 32 HG3 ARG 32 19.754 10.408 29.605 602 HD2 ARG 32 HD2 ARG 32 20.977 8.178 29.815 603 HD3 ARG 32 HD3 ARG 32 21.972 8.952 31.069 604 HE ARG 32 HE ARG 32 19.062 9.250 31.394 605 HH11 ARG 32 HH11 ARG 32 21.719 7.085 32.429 606 HH12 ARG 32 HH12 ARG 32 20.783 6.695 33.847 607 HH21 ARG 32 HH21 ARG 32 18.047 8.487 33.081 608 HH22 ARG 32 HH22 ARG 32 18.824 7.327 34.148 609 H1 GLY 0 H1 GLY 0 42.902 43.534 21.633 610 H2 GLY 0 H2 GLY 0 44.185 44.304 22.337 611 H3 GLY 0 H3 GLY 0 43.024 45.171 21.569 612 HA2 GLY 0 HA2 GLY 0 42.690 43.650 24.061 613 HA3 GLY 0 HA3 GLY 0 42.699 45.418 23.894 614 H MET 1 H MET 1 41.001 46.306 22.329 615 HA MET 1 HA MET 1 38.360 45.613 23.062 616 HB2 MET 1 HB2 MET 1 38.884 47.765 22.207 617 HB3 MET 1 HB3 MET 1 39.548 47.133 20.712 618 HG2 MET 1 HG2 MET 1 36.623 46.825 21.478 619 HG3 MET 1 HG3 MET 1 37.232 48.247 20.653 620 HE1 MET 1 HE1 MET 1 38.264 46.906 17.112 621 HE2 MET 1 HE2 MET 1 38.142 48.333 18.161 622 HE3 MET 1 HE3 MET 1 39.360 47.078 18.495 623 H ASP 2 H ASP 2 40.264 44.500 20.265 624 HA ASP 2 HA ASP 2 38.240 43.146 18.820 625 HB2 ASP 2 HB2 ASP 2 40.182 41.858 17.866 626 HB3 ASP 2 HB3 ASP 2 40.291 43.607 17.747 627 H ALA 3 H ALA 3 40.501 41.826 21.288 628 HA ALA 3 HA ALA 3 39.356 39.203 21.337 629 HB1 ALA 3 HB1 ALA 3 41.609 39.760 22.179 630 HB2 ALA 3 HB2 ALA 3 40.892 40.718 23.496 631 HB3 ALA 3 HB3 ALA 3 40.637 38.959 23.428 632 H ILE 4 H ILE 4 38.603 42.108 23.315 633 HA ILE 4 HA ILE 4 36.669 40.806 25.021 634 HB ILE 4 HB ILE 4 36.962 43.728 24.228 635 HG12 ILE 4 HG12 ILE 4 37.777 42.429 26.866 636 HG13 ILE 4 HG13 ILE 4 38.893 42.533 25.515 637 HG21 ILE 4 HG21 ILE 4 34.673 43.308 25.074 638 HG22 ILE 4 HG22 ILE 4 35.333 42.481 26.495 639 HG23 ILE 4 HG23 ILE 4 35.593 44.219 26.260 640 HD11 ILE 4 HD11 ILE 4 37.634 44.916 26.914 641 HD12 ILE 4 HD12 ILE 4 39.316 44.378 26.999 642 HD13 ILE 4 HD13 ILE 4 38.669 45.001 25.470 643 H LYS 5 H LYS 5 36.311 42.607 21.945 644 HA LYS 5 HA LYS 5 33.482 42.290 21.673 645 HB2 LYS 5 HB2 LYS 5 35.032 43.902 20.443 646 HB3 LYS 5 HB3 LYS 5 35.540 42.539 19.433 647 HG2 LYS 5 HG2 LYS 5 33.122 42.222 18.788 648 HG3 LYS 5 HG3 LYS 5 32.713 43.643 19.766 649 HD2 LYS 5 HD2 LYS 5 34.113 45.072 18.302 650 HD3 LYS 5 HD3 LYS 5 34.597 43.636 17.364 651 HE2 LYS 5 HE2 LYS 5 32.098 43.212 17.022 652 HE3 LYS 5 HE3 LYS 5 31.801 44.845 17.628 653 HZ1 LYS 5 HZ1 LYS 5 32.915 45.729 15.737 654 HZ2 LYS 5 HZ2 LYS 5 33.617 44.312 15.354 655 HZ3 LYS 5 HZ3 LYS 5 32.001 44.465 15.138 656 H LYS 6 H LYS 6 36.189 40.209 20.501 657 HA LYS 6 HA LYS 6 34.539 38.216 19.308 658 HB2 LYS 6 HB2 LYS 6 37.011 38.452 18.999 659 HB3 LYS 6 HB3 LYS 6 37.253 37.863 20.640 660 HG2 LYS 6 HG2 LYS 6 37.659 36.064 19.112 661 HG3 LYS 6 HG3 LYS 6 36.185 35.688 19.999 662 HD2 LYS 6 HD2 LYS 6 34.824 36.400 18.028 663 HD3 LYS 6 HD3 LYS 6 36.318 36.824 17.164 664 HE2 LYS 6 HE2 LYS 6 37.078 34.423 17.462 665 HE3 LYS 6 HE3 LYS 6 35.506 34.063 18.183 666 HZ1 LYS 6 HZ1 LYS 6 35.425 33.482 15.878 667 HZ2 LYS 6 HZ2 LYS 6 34.481 34.777 16.029 668 HZ3 LYS 6 HZ3 LYS 6 35.979 34.936 15.374 669 H LYS 7 H LYS 7 35.622 38.484 22.733 670 HA LYS 7 HA LYS 7 34.360 36.096 23.665 671 HB2 LYS 7 HB2 LYS 7 36.002 37.592 24.897 672 HB3 LYS 7 HB3 LYS 7 34.662 38.692 25.238 673 HG2 LYS 7 HG2 LYS 7 33.475 36.861 26.450 674 HG3 LYS 7 HG3 LYS 7 34.806 35.758 26.054 675 HD2 LYS 7 HD2 LYS 7 36.365 37.359 27.274 676 HD3 LYS 7 HD3 LYS 7 34.927 38.232 27.838 677 HE2 LYS 7 HE2 LYS 7 34.100 36.137 28.920 678 HE3 LYS 7 HE3 LYS 7 35.507 35.270 28.292 679 HZ1 LYS 7 HZ1 LYS 7 35.981 35.841 30.508 680 HZ2 LYS 7 HZ2 LYS 7 36.897 36.858 29.609 681 HZ3 LYS 7 HZ3 LYS 7 35.521 37.406 30.359 682 H MET 8 H MET 8 32.975 39.399 23.333 683 HA MET 8 HA MET 8 30.330 38.646 24.217 684 HB2 MET 8 HB2 MET 8 31.140 40.883 22.321 685 HB3 MET 8 HB3 MET 8 29.566 40.698 23.089 686 HG2 MET 8 HG2 MET 8 32.199 41.238 24.512 687 HG3 MET 8 HG3 MET 8 30.907 42.378 24.203 688 HE1 MET 8 HE1 MET 8 31.339 39.632 27.779 689 HE2 MET 8 HE2 MET 8 31.797 39.010 26.178 690 HE3 MET 8 HE3 MET 8 32.575 40.477 26.821 691 H GLN 9 H GLN 9 31.780 38.684 20.916 692 HA GLN 9 HA GLN 9 29.461 37.842 19.497 693 HB2 GLN 9 HB2 GLN 9 32.420 37.401 18.972 694 HB3 GLN 9 HB3 GLN 9 31.160 36.923 17.830 695 HG2 GLN 9 HG2 GLN 9 30.466 39.153 17.449 696 HG3 GLN 9 HG3 GLN 9 31.315 39.776 18.848 697 HE21 GLN 9 HE21 GLN 9 33.359 40.908 16.094 698 HE22 GLN 9 HE22 GLN 9 31.727 41.203 16.746 699 H MET 10 H MET 10 32.014 35.796 21.060 700 HA MET 10 HA MET 10 30.813 33.303 20.299 701 HB2 MET 10 HB2 MET 10 32.609 34.020 22.641 702 HB3 MET 10 HB3 MET 10 32.100 32.370 22.232 703 HG2 MET 10 HG2 MET 10 33.110 32.591 19.988 704 HG3 MET 10 HG3 MET 10 33.638 34.223 20.384 705 HE1 MET 10 HE1 MET 10 34.315 30.413 20.668 706 HE2 MET 10 HE2 MET 10 35.435 30.286 22.040 707 HE3 MET 10 HE3 MET 10 33.730 30.694 22.325 708 H LEU 11 H LEU 11 30.289 35.265 23.300 709 HA LEU 11 HA LEU 11 28.341 33.473 24.403 710 HB2 LEU 11 HB2 LEU 11 28.771 36.464 24.690 711 HB3 LEU 11 HB3 LEU 11 27.564 35.581 25.624 712 HG LEU 11 HG LEU 11 30.543 34.925 25.697 713 HD11 LEU 11 HD11 LEU 11 30.110 37.207 26.531 714 HD12 LEU 11 HD12 LEU 11 28.866 36.577 27.635 715 HD13 LEU 11 HD13 LEU 11 30.574 36.111 27.842 716 HD21 LEU 11 HD21 LEU 11 29.933 33.766 27.810 717 HD22 LEU 11 HD22 LEU 11 28.215 34.128 27.511 718 HD23 LEU 11 HD23 LEU 11 29.119 33.051 26.423 719 H LYS 12 H LYS 12 27.933 36.077 21.980 720 HA LYS 12 HA LYS 12 25.032 35.824 21.842 721 HB2 LYS 12 HB2 LYS 12 27.111 36.985 19.942 722 HB3 LYS 12 HB3 LYS 12 25.380 37.001 19.605 723 HG2 LYS 12 HG2 LYS 12 24.909 38.341 21.574 724 HG3 LYS 12 HG3 LYS 12 26.567 38.187 22.148 725 HD2 LYS 12 HD2 LYS 12 26.331 40.370 21.228 726 HD3 LYS 12 HD3 LYS 12 27.372 39.448 20.140 727 HE2 LYS 12 HE2 LYS 12 25.482 39.093 18.594 728 HE3 LYS 12 HE3 LYS 12 24.376 39.893 19.725 729 HZ1 LYS 12 HZ1 LYS 12 25.847 41.913 19.453 730 HZ2 LYS 12 HZ2 LYS 12 26.639 41.145 18.266 731 HZ3 LYS 12 HZ3 LYS 12 25.033 41.499 18.091 732 H LEU 13 H LEU 13 27.665 34.139 20.140 733 HA LEU 13 HA LEU 13 25.896 32.626 18.387 734 HB2 LEU 13 HB2 LEU 13 28.776 32.222 19.292 735 HB3 LEU 13 HB3 LEU 13 27.987 31.205 18.099 736 HG LEU 13 HG LEU 13 28.316 34.214 17.728 737 HD11 LEU 13 HD11 LEU 13 30.521 33.140 17.886 738 HD12 LEU 13 HD12 LEU 13 30.033 31.928 16.680 739 HD13 LEU 13 HD13 LEU 13 30.178 33.643 16.224 740 HD21 LEU 13 HD21 LEU 13 26.536 33.274 16.365 741 HD22 LEU 13 HD22 LEU 13 27.941 33.658 15.352 742 HD23 LEU 13 HD23 LEU 13 27.613 31.970 15.808 743 H ASP 14 H ASP 14 27.429 31.896 21.543 744 HA ASP 14 HA ASP 14 26.306 29.276 21.851 745 HB2 ASP 14 HB2 ASP 14 27.275 31.346 23.862 746 HB3 ASP 14 HB3 ASP 14 26.724 29.736 24.312 747 H ASN 15 H ASN 15 25.063 32.491 23.020 748 HA ASN 15 HA ASN 15 22.643 31.374 24.052 749 HB2 ASN 15 HB2 ASN 15 23.391 34.187 23.186 750 HB3 ASN 15 HB3 ASN 15 21.785 33.771 23.785 751 HD21 ASN 15 HD21 ASN 15 23.326 34.839 26.841 752 HD22 ASN 15 HD22 ASN 15 22.462 35.459 25.441 753 H TYR 16 H TYR 16 23.389 32.362 20.672 754 HA TYR 16 HA TYR 16 20.670 32.090 19.756 755 HB2 TYR 16 HB2 TYR 16 22.535 33.203 18.502 756 HB3 TYR 16 HB3 TYR 16 23.231 31.623 18.180 757 HD1 TYR 16 HD1 TYR 16 20.463 33.952 17.452 758 HD2 TYR 16 HD2 TYR 16 22.138 30.078 16.545 759 HE1 TYR 16 HE1 TYR 16 18.949 33.762 15.488 760 HE2 TYR 16 HE2 TYR 16 20.617 29.887 14.580 761 HH TYR 16 HH TYR 16 18.222 32.430 13.778 762 H HIS 17 H HIS 17 23.308 29.692 20.137 763 HA HIS 17 HA HIS 17 21.839 27.433 19.052 764 HB2 HIS 17 HB2 HIS 17 24.284 27.430 19.345 765 HB3 HIS 17 HB3 HIS 17 24.106 27.568 21.087 766 HD2 HIS 17 HD2 HIS 17 24.803 25.009 18.607 767 HE1 HIS 17 HE1 HIS 17 22.880 22.857 21.746 768 HE2 HIS 17 HE2 HIS 17 24.281 22.627 19.639 769 H LEU 18 H LEU 18 22.349 28.571 22.410 770 HA LEU 18 HA LEU 18 20.669 26.673 23.643 771 HB2 LEU 18 HB2 LEU 18 21.520 29.460 24.479 772 HB3 LEU 18 HB3 LEU 18 20.659 28.344 25.536 773 HG LEU 18 HG LEU 18 23.342 27.618 24.297 774 HD11 LEU 18 HD11 LEU 18 22.805 28.871 27.023 775 HD12 LEU 18 HD12 LEU 18 24.365 28.272 26.429 776 HD13 LEU 18 HD13 LEU 18 23.607 29.670 25.651 777 HD21 LEU 18 HD21 LEU 18 22.029 25.726 25.171 778 HD22 LEU 18 HD22 LEU 18 23.440 26.038 26.191 779 HD23 LEU 18 HD23 LEU 18 21.831 26.570 26.728 780 H GLU 19 H GLU 19 19.697 29.937 22.392 781 HA GLU 19 HA GLU 19 17.046 29.879 23.430 782 HB2 GLU 19 HB2 GLU 19 18.135 31.865 22.386 783 HB3 GLU 19 HB3 GLU 19 18.028 31.069 20.809 784 HG2 GLU 19 HG2 GLU 19 15.498 31.012 21.103 785 HG3 GLU 19 HG3 GLU 19 15.706 31.930 22.598 786 H ASN 20 H ASN 20 18.340 28.516 20.402 787 HA ASN 20 HA ASN 20 15.797 27.505 19.409 788 HB2 ASN 20 HB2 ASN 20 18.732 26.951 18.800 789 HB3 ASN 20 HB3 ASN 20 17.455 26.008 18.065 790 HD21 ASN 20 HD21 ASN 20 18.007 29.825 16.766 791 HD22 ASN 20 HD22 ASN 20 18.841 29.317 18.219 792 H GLU 21 H GLU 21 18.374 26.054 21.459 793 HA GLU 21 HA GLU 21 17.079 23.468 21.569 794 HB2 GLU 21 HB2 GLU 21 19.502 23.768 21.862 795 HB3 GLU 21 HB3 GLU 21 19.218 24.760 23.291 796 HG2 GLU 21 HG2 GLU 21 19.950 22.579 23.963 797 HG3 GLU 21 HG3 GLU 21 18.299 22.825 24.494 798 H VAL 22 H VAL 22 16.968 26.311 23.753 799 HA VAL 22 HA VAL 22 15.190 25.079 25.666 800 HB VAL 22 HB VAL 22 15.787 27.984 25.001 801 HG11 VAL 22 HG11 VAL 22 14.033 26.904 27.258 802 HG12 VAL 22 HG12 VAL 22 14.634 28.569 27.122 803 HG13 VAL 22 HG13 VAL 22 13.501 27.955 25.921 804 HG21 VAL 22 HG21 VAL 22 17.583 26.693 26.119 805 HG22 VAL 22 HG22 VAL 22 16.901 27.873 27.234 806 HG23 VAL 22 HG23 VAL 22 16.450 26.166 27.381 807 H ALA 23 H ALA 23 14.522 26.974 22.653 808 HA ALA 23 HA ALA 23 11.699 26.908 22.878 809 HB1 ALA 23 HB1 ALA 23 13.444 26.822 20.377 810 HB2 ALA 23 HB2 ALA 23 11.728 27.275 20.439 811 HB3 ALA 23 HB3 ALA 23 12.940 28.282 21.253 812 H ARG 24 H ARG 24 13.898 24.422 21.482 813 HA ARG 24 HA ARG 24 11.852 22.508 20.797 814 HB2 ARG 24 HB2 ARG 24 14.243 22.413 20.026 815 HB3 ARG 24 HB3 ARG 24 14.740 22.005 21.669 816 HG2 ARG 24 HG2 ARG 24 13.262 19.934 21.526 817 HG3 ARG 24 HG3 ARG 24 12.938 20.365 19.842 818 HD2 ARG 24 HD2 ARG 24 14.657 18.731 19.781 819 HD3 ARG 24 HD3 ARG 24 15.444 20.264 19.429 820 HE ARG 24 HE ARG 24 16.613 20.167 21.477 821 HH11 ARG 24 HH11 ARG 24 14.448 17.318 21.364 822 HH12 ARG 24 HH12 ARG 24 15.292 16.641 22.751 823 HH21 ARG 24 HH21 ARG 24 17.496 19.152 23.166 824 HH22 ARG 24 HH22 ARG 24 16.867 17.593 23.719 825 H LEU 25 H LEU 25 13.848 22.794 23.753 826 HA LEU 25 HA LEU 25 12.655 20.551 25.038 827 HB2 LEU 25 HB2 LEU 25 14.344 22.877 25.995 828 HB3 LEU 25 HB3 LEU 25 13.819 21.599 27.072 829 HG LEU 25 HG LEU 25 15.433 21.026 24.563 830 HD11 LEU 25 HD11 LEU 25 17.373 20.857 26.011 831 HD12 LEU 25 HD12 LEU 25 16.675 22.475 26.165 832 HD13 LEU 25 HD13 LEU 25 16.402 21.272 27.445 833 HD21 LEU 25 HD21 LEU 25 14.807 19.370 27.055 834 HD22 LEU 25 HD22 LEU 25 14.225 19.058 25.403 835 HD23 LEU 25 HD23 LEU 25 15.941 18.903 25.772 836 H LYS 26 H LYS 26 11.859 24.041 25.463 837 HA LYS 26 HA LYS 26 9.953 23.752 27.581 838 HB2 LYS 26 HB2 LYS 26 10.195 25.718 25.267 839 HB3 LYS 26 HB3 LYS 26 8.948 25.876 26.490 840 HG2 LYS 26 HG2 LYS 26 11.904 25.751 27.212 841 HG3 LYS 26 HG3 LYS 26 11.113 27.255 26.757 842 HD2 LYS 26 HD2 LYS 26 10.304 25.521 29.133 843 HD3 LYS 26 HD3 LYS 26 11.310 26.974 29.194 844 HE2 LYS 26 HE2 LYS 26 9.386 28.244 28.100 845 HE3 LYS 26 HE3 LYS 26 8.385 26.807 28.345 846 HZ1 LYS 26 HZ1 LYS 26 9.681 28.442 30.448 847 HZ2 LYS 26 HZ2 LYS 26 8.050 28.240 30.181 848 HZ3 LYS 26 HZ3 LYS 26 8.969 27.000 30.756 849 H LYS 27 H LYS 27 9.471 23.634 24.055 850 HA LYS 27 HA LYS 27 6.658 23.013 24.100 851 HB2 LYS 27 HB2 LYS 27 7.913 23.937 22.175 852 HB3 LYS 27 HB3 LYS 27 8.818 22.429 22.015 853 HG2 LYS 27 HG2 LYS 27 6.772 21.198 21.474 854 HG3 LYS 27 HG3 LYS 27 5.783 22.635 21.761 855 HD2 LYS 27 HD2 LYS 27 7.925 22.406 19.589 856 HD3 LYS 27 HD3 LYS 27 6.199 22.118 19.356 857 HE2 LYS 27 HE2 LYS 27 5.816 24.485 20.296 858 HE3 LYS 27 HE3 LYS 27 7.556 24.745 20.096 859 HZ1 LYS 27 HZ1 LYS 27 5.638 24.007 17.949 860 HZ2 LYS 27 HZ2 LYS 27 6.254 25.502 18.181 861 HZ3 LYS 27 HZ3 LYS 27 7.235 24.296 17.692 862 H LEU 28 H LEU 28 9.543 20.913 24.035 863 HA LEU 28 HA LEU 28 8.106 18.471 23.848 864 HB2 LEU 28 HB2 LEU 28 10.443 18.870 23.156 865 HB3 LEU 28 HB3 LEU 28 10.918 19.051 24.844 866 HG LEU 28 HG LEU 28 10.414 16.694 25.279 867 HD11 LEU 28 HD11 LEU 28 9.667 16.562 22.316 868 HD12 LEU 28 HD12 LEU 28 9.902 15.158 23.377 869 HD13 LEU 28 HD13 LEU 28 8.571 16.273 23.688 870 HD21 LEU 28 HD21 LEU 28 12.094 17.085 22.766 871 HD22 LEU 28 HD22 LEU 28 12.652 17.327 24.438 872 HD23 LEU 28 HD23 LEU 28 12.188 15.712 23.881 873 H VAL 29 H VAL 29 9.100 20.271 26.806 874 HA VAL 29 HA VAL 29 7.977 18.137 28.519 875 HB VAL 29 HB VAL 29 8.351 19.552 30.404 876 HG11 VAL 29 HG11 VAL 29 10.779 19.603 28.577 877 HG12 VAL 29 HG12 VAL 29 10.777 19.743 30.349 878 HG13 VAL 29 HG13 VAL 29 10.233 18.241 29.588 879 HG21 VAL 29 HG21 VAL 29 7.826 21.768 29.438 880 HG22 VAL 29 HG22 VAL 29 9.339 21.741 30.321 881 HG23 VAL 29 HG23 VAL 29 9.356 21.725 28.543 882 H GLY 30 H GLY 30 6.732 21.046 26.988 883 HA2 GLY 30 HA2 GLY 30 4.425 21.510 26.717 884 HA3 GLY 30 HA3 GLY 30 4.030 20.517 28.118 885 H GLU 31 H GLU 31 6.529 23.091 28.138 886 HA GLU 31 HA GLU 31 4.970 24.514 30.242 887 HB2 GLU 31 HB2 GLU 31 7.893 24.606 29.443 888 HB3 GLU 31 HB3 GLU 31 7.107 25.916 30.331 889 HG2 GLU 31 HG2 GLU 31 6.325 24.185 32.022 890 HG3 GLU 31 HG3 GLU 31 7.491 23.080 31.295 891 H ARG 32 H ARG 32 4.140 26.439 30.075 892 HA ARG 32 HA ARG 32 4.192 28.058 27.633 893 HB2 ARG 32 HB2 ARG 32 3.174 28.646 30.438 894 HB3 ARG 32 HB3 ARG 32 3.032 29.730 29.062 895 HG2 ARG 32 HG2 ARG 32 1.738 26.985 29.310 896 HG3 ARG 32 HG3 ARG 32 0.933 28.543 29.449 897 HD2 ARG 32 HD2 ARG 32 2.202 27.390 26.929 898 HD3 ARG 32 HD3 ARG 32 0.481 27.529 27.288 899 HE ARG 32 HE ARG 32 2.159 29.996 27.188 900 HH11 ARG 32 HH11 ARG 32 -0.452 28.209 25.565 901 HH12 ARG 32 HH12 ARG 32 -1.013 29.720 24.849 902 HH21 ARG 32 HH21 ARG 32 1.489 31.665 25.977 903 HH22 ARG 32 HH22 ARG 32 0.056 31.517 24.984 Start of MODEL 5 1 H1 SER 2 H1 SER 2 44.357 60.257 31.592 2 H2 SER 2 H2 SER 2 43.266 61.492 31.589 3 H3 SER 2 H3 SER 2 44.652 61.631 30.738 4 HA SER 2 HA SER 2 44.053 59.952 29.204 5 HB2 SER 2 HB2 SER 2 42.824 58.444 30.653 6 HB3 SER 2 HB3 SER 2 41.562 59.671 30.918 7 HG SER 2 HG SER 2 41.023 58.111 29.302 8 H THR 3 H THR 3 43.669 61.000 27.362 9 HA THR 3 HA THR 3 42.083 63.406 27.098 10 HB THR 3 HB THR 3 42.435 62.874 24.617 11 HG1 THR 3 HG1 THR 3 42.763 60.742 24.488 12 HG21 THR 3 HG21 THR 3 44.935 62.839 26.362 13 HG22 THR 3 HG22 THR 3 44.835 63.301 24.653 14 HG23 THR 3 HG23 THR 3 44.025 64.293 25.880 15 H PHE 4 H PHE 4 41.019 60.233 27.549 16 HA PHE 4 HA PHE 4 38.599 60.586 25.852 17 HB2 PHE 4 HB2 PHE 4 39.789 58.048 26.996 18 HB3 PHE 4 HB3 PHE 4 38.496 58.168 25.817 19 HD1 PHE 4 HD1 PHE 4 39.076 59.380 23.538 20 HD2 PHE 4 HD2 PHE 4 42.078 57.933 26.280 21 HE1 PHE 4 HE1 PHE 4 40.728 59.296 21.690 22 HE2 PHE 4 HE2 PHE 4 43.727 57.861 24.433 23 HZ PHE 4 HZ PHE 4 43.053 58.538 22.135 24 H GLY 5 H GLY 5 39.244 61.446 28.792 25 HA2 GLY 5 HA2 GLY 5 37.747 61.924 30.566 26 HA3 GLY 5 HA3 GLY 5 36.652 60.655 30.015 27 H TYR 6 H TYR 6 37.313 60.842 32.713 28 HA TYR 6 HA TYR 6 39.476 58.999 33.369 29 HB2 TYR 6 HB2 TYR 6 37.368 60.437 34.962 30 HB3 TYR 6 HB3 TYR 6 38.177 59.043 35.659 31 HD1 TYR 6 HD1 TYR 6 38.717 62.512 34.418 32 HD2 TYR 6 HD2 TYR 6 40.545 59.009 36.178 33 HE1 TYR 6 HE1 TYR 6 40.814 63.791 34.795 34 HE2 TYR 6 HE2 TYR 6 42.639 60.306 36.558 35 HH TYR 6 HH TYR 6 42.943 63.746 35.903 36 H ARG 7 H ARG 7 39.315 56.955 34.239 37 HA ARG 7 HA ARG 7 38.891 54.747 33.926 38 HB2 ARG 7 HB2 ARG 7 36.000 55.485 34.402 39 HB3 ARG 7 HB3 ARG 7 36.728 53.900 34.625 40 HG2 ARG 7 HG2 ARG 7 37.447 56.395 36.225 41 HG3 ARG 7 HG3 ARG 7 36.339 55.145 36.754 42 HD2 ARG 7 HD2 ARG 7 39.260 54.578 36.112 43 HD3 ARG 7 HD3 ARG 7 38.699 55.060 37.709 44 HE ARG 7 HE ARG 7 37.125 53.022 37.520 45 HH11 ARG 7 HH11 ARG 7 40.546 52.903 36.531 46 HH12 ARG 7 HH12 ARG 7 40.425 51.137 36.435 47 HH21 ARG 7 HH21 ARG 7 37.316 50.835 37.606 48 HH22 ARG 7 HH22 ARG 7 38.813 50.089 37.025 49 H ARG 8 H ARG 8 38.742 56.471 31.462 50 HA ARG 8 HA ARG 8 38.096 54.209 29.678 51 HB2 ARG 8 HB2 ARG 8 36.098 55.682 29.670 52 HB3 ARG 8 HB3 ARG 8 37.100 57.056 29.195 53 HG2 ARG 8 HG2 ARG 8 37.590 56.018 27.033 54 HG3 ARG 8 HG3 ARG 8 36.873 54.492 27.567 55 HD2 ARG 8 HD2 ARG 8 35.345 55.527 26.076 56 HD3 ARG 8 HD3 ARG 8 34.642 55.589 27.700 57 HE ARG 8 HE ARG 8 35.930 58.044 27.412 58 HH11 ARG 8 HH11 ARG 8 33.248 56.483 25.565 59 HH12 ARG 8 HH12 ARG 8 32.829 58.033 24.916 60 HH21 ARG 8 HH21 ARG 8 35.003 59.941 26.641 61 HH22 ARG 8 HH22 ARG 8 33.671 59.814 25.520 62 H GLY 9 H GLY 9 39.450 54.116 27.832 63 HA2 GLY 9 HA2 GLY 9 41.430 54.362 26.706 64 HA3 GLY 9 HA3 GLY 9 41.316 56.093 27.022 65 H LEU 10 H LEU 10 41.583 53.601 29.536 66 HA LEU 10 HA LEU 10 43.844 54.913 30.793 67 HB2 LEU 10 HB2 LEU 10 42.685 52.152 31.319 68 HB3 LEU 10 HB3 LEU 10 43.737 53.071 32.386 69 HG LEU 10 HG LEU 10 40.852 53.742 31.668 70 HD11 LEU 10 HD11 LEU 10 40.473 53.272 34.043 71 HD12 LEU 10 HD12 LEU 10 41.208 51.876 33.242 72 HD13 LEU 10 HD13 LEU 10 42.194 52.920 34.263 73 HD21 LEU 10 HD21 LEU 10 41.933 55.864 31.881 74 HD22 LEU 10 HD22 LEU 10 41.085 55.543 33.404 75 HD23 LEU 10 HD23 LEU 10 42.839 55.331 33.309 76 H SER 11 H SER 11 45.865 53.756 31.407 77 HA SER 11 HA SER 11 47.188 52.670 29.033 78 HB2 SER 11 HB2 SER 11 48.357 54.147 30.655 79 HB3 SER 11 HB3 SER 11 48.226 52.859 31.882 80 HG SER 11 HG SER 11 49.885 53.088 29.690 81 H LYS 12 H LYS 12 47.332 50.565 28.468 82 HA LYS 12 HA LYS 12 45.790 48.549 29.726 83 HB2 LYS 12 HB2 LYS 12 48.000 48.454 27.637 84 HB3 LYS 12 HB3 LYS 12 47.156 46.996 28.161 85 HG2 LYS 12 HG2 LYS 12 45.026 47.822 27.472 86 HG3 LYS 12 HG3 LYS 12 45.655 49.466 27.190 87 HD2 LYS 12 HD2 LYS 12 46.892 48.754 25.267 88 HD3 LYS 12 HD3 LYS 12 46.492 47.044 25.540 89 HE2 LYS 12 HE2 LYS 12 44.212 47.345 25.006 90 HE3 LYS 12 HE3 LYS 12 44.260 49.090 25.296 91 HZ1 LYS 12 HZ1 LYS 12 45.723 47.852 23.030 92 HZ2 LYS 12 HZ2 LYS 12 44.202 48.445 22.879 93 HZ3 LYS 12 HZ3 LYS 12 45.403 49.466 23.315 94 H TYR 13 H TYR 13 49.207 49.239 30.229 95 HA TYR 13 HA TYR 13 49.932 46.977 31.791 96 HB2 TYR 13 HB2 TYR 13 50.886 49.857 32.073 97 HB3 TYR 13 HB3 TYR 13 51.742 48.418 32.589 98 HD1 TYR 13 HD1 TYR 13 50.988 50.632 29.793 99 HD2 TYR 13 HD2 TYR 13 52.700 46.827 30.874 100 HE1 TYR 13 HE1 TYR 13 52.109 50.517 27.579 101 HE2 TYR 13 HE2 TYR 13 53.881 46.751 28.679 102 HH TYR 13 HH TYR 13 54.673 48.514 26.942 103 H GLU 14 H GLU 14 47.825 49.631 32.648 104 HA GLU 14 HA GLU 14 48.265 49.380 35.538 105 HB2 GLU 14 HB2 GLU 14 48.048 51.517 34.046 106 HB3 GLU 14 HB3 GLU 14 46.310 51.251 34.174 107 HG2 GLU 14 HG2 GLU 14 46.335 51.677 36.513 108 HG3 GLU 14 HG3 GLU 14 48.059 51.328 36.658 109 H SER 15 H SER 15 46.994 47.180 33.959 110 HA SER 15 HA SER 15 44.578 46.754 35.621 111 HB2 SER 15 HB2 SER 15 43.216 46.140 33.759 112 HB3 SER 15 HB3 SER 15 43.889 47.735 33.402 113 HG SER 15 HG SER 15 45.490 46.624 32.087 114 H ILE 16 H ILE 16 43.834 44.452 35.539 115 HA ILE 16 HA ILE 16 45.817 42.470 34.617 116 HB ILE 16 HB ILE 16 45.549 41.155 36.747 117 HG12 ILE 16 HG12 ILE 16 44.873 43.845 38.022 118 HG13 ILE 16 HG13 ILE 16 43.708 42.547 37.789 119 HG21 ILE 16 HG21 ILE 16 47.620 42.362 35.983 120 HG22 ILE 16 HG22 ILE 16 47.151 43.717 37.031 121 HG23 ILE 16 HG23 ILE 16 47.506 42.121 37.726 122 HD11 ILE 16 HD11 ILE 16 46.163 42.427 39.565 123 HD12 ILE 16 HD12 ILE 16 44.461 42.453 40.050 124 HD13 ILE 16 HD13 ILE 16 45.108 41.038 39.199 125 H ASP 17 H ASP 17 42.623 42.551 36.327 126 HA ASP 17 HA ASP 17 41.775 40.104 35.099 127 HB2 ASP 17 HB2 ASP 17 40.163 42.343 36.377 128 HB3 ASP 17 HB3 ASP 17 39.515 40.770 35.931 129 H GLU 18 H GLU 18 40.469 39.682 33.283 130 HA GLU 18 HA GLU 18 40.372 41.705 31.214 131 HB2 GLU 18 HB2 GLU 18 40.505 39.083 31.011 132 HB3 GLU 18 HB3 GLU 18 38.750 39.183 31.125 133 HG2 GLU 18 HG2 GLU 18 39.096 41.025 29.174 134 HG3 GLU 18 HG3 GLU 18 40.640 40.212 28.978 135 H ASP 19 H ASP 19 38.389 41.172 33.885 136 HA ASP 19 HA ASP 19 35.978 42.513 32.863 137 HB2 ASP 19 HB2 ASP 19 36.878 41.924 35.711 138 HB3 ASP 19 HB3 ASP 19 35.276 42.462 35.213 139 H GLU 20 H GLU 20 39.083 43.527 34.148 140 HA GLU 20 HA GLU 20 38.173 46.316 34.697 141 HB2 GLU 20 HB2 GLU 20 39.792 45.203 36.245 142 HB3 GLU 20 HB3 GLU 20 40.897 44.986 34.904 143 HG2 GLU 20 HG2 GLU 20 41.710 46.823 36.092 144 HG3 GLU 20 HG3 GLU 20 41.032 47.485 34.619 145 H LEU 21 H LEU 21 40.131 44.400 32.457 146 HA LEU 21 HA LEU 21 41.567 46.247 31.099 147 HB2 LEU 21 HB2 LEU 21 41.714 43.794 30.904 148 HB3 LEU 21 HB3 LEU 21 40.203 43.763 29.993 149 HG LEU 21 HG LEU 21 41.299 45.030 28.139 150 HD11 LEU 21 HD11 LEU 21 43.826 44.656 29.810 151 HD12 LEU 21 HD12 LEU 21 43.780 45.194 28.118 152 HD13 LEU 21 HD13 LEU 21 43.078 46.207 29.384 153 HD21 LEU 21 HD21 LEU 21 41.193 42.588 28.088 154 HD22 LEU 21 HD22 LEU 21 42.704 43.160 27.364 155 HD23 LEU 21 HD23 LEU 21 42.711 42.480 29.003 156 H LEU 22 H LEU 22 38.123 45.787 30.558 157 HA LEU 22 HA LEU 22 37.721 46.999 28.051 158 HB2 LEU 22 HB2 LEU 22 36.017 45.805 29.420 159 HB3 LEU 22 HB3 LEU 22 36.046 47.121 30.593 160 HG LEU 22 HG LEU 22 35.171 48.682 28.810 161 HD11 LEU 22 HD11 LEU 22 35.876 47.478 26.789 162 HD12 LEU 22 HD12 LEU 22 34.867 46.081 27.235 163 HD13 LEU 22 HD13 LEU 22 34.116 47.633 26.811 164 HD21 LEU 22 HD21 LEU 22 33.688 47.605 30.451 165 HD22 LEU 22 HD22 LEU 22 32.887 47.847 28.900 166 HD23 LEU 22 HD23 LEU 22 33.463 46.223 29.350 167 H ALA 23 H ALA 23 38.372 48.578 31.185 168 HA ALA 23 HA ALA 23 37.667 51.246 30.373 169 HB1 ALA 23 HB1 ALA 23 39.535 50.232 32.561 170 HB2 ALA 23 HB2 ALA 23 38.830 51.863 32.449 171 HB3 ALA 23 HB3 ALA 23 37.781 50.462 32.713 172 H SER 24 H SER 24 40.452 49.321 29.542 173 HA SER 24 HA SER 24 42.306 51.524 29.134 174 HB2 SER 24 HB2 SER 24 43.732 49.964 28.100 175 HB3 SER 24 HB3 SER 24 43.029 49.175 29.516 176 HG SER 24 HG SER 24 41.645 48.030 28.166 177 H LEU 25 H LEU 25 39.605 50.396 27.277 178 HA LEU 25 HA LEU 25 40.673 51.105 24.679 179 HB2 LEU 25 HB2 LEU 25 37.795 50.681 25.545 180 HB3 LEU 25 HB3 LEU 25 38.394 50.743 23.885 181 HG LEU 25 HG LEU 25 38.932 48.587 25.975 182 HD11 LEU 25 HD11 LEU 25 37.782 47.168 24.348 183 HD12 LEU 25 HD12 LEU 25 36.769 48.558 24.780 184 HD13 LEU 25 HD13 LEU 25 37.624 48.541 23.223 185 HD21 LEU 25 HD21 LEU 25 41.023 48.807 24.788 186 HD22 LEU 25 HD22 LEU 25 40.178 47.403 24.130 187 HD23 LEU 25 HD23 LEU 25 40.189 48.937 23.226 188 H SER 26 H SER 26 40.607 52.936 23.562 189 HA SER 26 HA SER 26 40.025 55.469 24.802 190 HB2 SER 26 HB2 SER 26 40.589 56.363 22.586 191 HB3 SER 26 HB3 SER 26 41.786 55.167 23.111 192 HG SER 26 HG SER 26 40.742 55.143 20.872 193 H ALA 27 H ALA 27 38.634 57.124 23.573 194 HA ALA 27 HA ALA 27 35.924 56.341 23.912 195 HB1 ALA 27 HB1 ALA 27 36.788 58.641 24.244 196 HB2 ALA 27 HB2 ALA 27 37.064 58.782 22.487 197 HB3 ALA 27 HB3 ALA 27 35.419 58.611 23.127 198 H GLU 28 H GLU 28 37.866 56.520 20.928 199 HA GLU 28 HA GLU 28 35.578 55.794 19.252 200 HB2 GLU 28 HB2 GLU 28 37.045 55.960 17.406 201 HB3 GLU 28 HB3 GLU 28 37.236 57.366 18.421 202 HG2 GLU 28 HG2 GLU 28 39.163 55.002 18.298 203 HG3 GLU 28 HG3 GLU 28 39.337 56.503 17.399 204 H GLU 29 H GLU 29 38.268 53.911 20.737 205 HA GLU 29 HA GLU 29 37.605 51.517 19.164 206 HB2 GLU 29 HB2 GLU 29 39.254 51.932 21.696 207 HB3 GLU 29 HB3 GLU 29 38.865 50.343 21.032 208 HG2 GLU 29 HG2 GLU 29 39.869 51.097 18.827 209 HG3 GLU 29 HG3 GLU 29 40.464 52.534 19.661 210 H LEU 30 H LEU 30 36.794 52.700 22.454 211 HA LEU 30 HA LEU 30 35.281 50.419 23.223 212 HB2 LEU 30 HB2 LEU 30 36.165 52.205 24.752 213 HB3 LEU 30 HB3 LEU 30 35.000 53.334 24.066 214 HG LEU 30 HG LEU 30 33.135 51.843 24.898 215 HD11 LEU 30 HD11 LEU 30 33.684 50.211 26.690 216 HD12 LEU 30 HD12 LEU 30 34.344 49.708 25.133 217 HD13 LEU 30 HD13 LEU 30 35.415 50.429 26.360 218 HD21 LEU 30 HD21 LEU 30 33.813 53.818 26.114 219 HD22 LEU 30 HD22 LEU 30 33.333 52.529 27.211 220 HD23 LEU 30 HD23 LEU 30 35.066 52.880 26.988 221 H LYS 31 H LYS 31 34.347 53.266 21.305 222 HA LYS 31 HA LYS 31 31.533 52.917 21.546 223 HB2 LYS 31 HB2 LYS 31 32.723 54.975 20.776 224 HB3 LYS 31 HB3 LYS 31 32.953 54.211 19.188 225 HG2 LYS 31 HG2 LYS 31 30.527 54.069 18.873 226 HG3 LYS 31 HG3 LYS 31 30.248 54.499 20.568 227 HD2 LYS 31 HD2 LYS 31 31.323 56.753 20.072 228 HD3 LYS 31 HD3 LYS 31 31.240 56.318 18.342 229 HE2 LYS 31 HE2 LYS 31 28.784 55.940 18.581 230 HE3 LYS 31 HE3 LYS 31 28.905 56.286 20.311 231 HZ1 LYS 31 HZ1 LYS 31 29.281 58.207 18.093 232 HZ2 LYS 31 HZ2 LYS 31 28.155 58.217 19.302 233 HZ3 LYS 31 HZ3 LYS 31 29.738 58.540 19.640 234 H GLU 32 H GLU 32 33.796 51.123 19.538 235 HA GLU 32 HA GLU 32 31.709 50.051 17.815 236 HB2 GLU 32 HB2 GLU 32 34.102 50.100 17.164 237 HB3 GLU 32 HB3 GLU 32 34.480 48.996 18.487 238 HG2 GLU 32 HG2 GLU 32 34.427 47.789 16.401 239 HG3 GLU 32 HG3 GLU 32 33.131 47.223 17.441 240 H LEU 33 H LEU 33 33.007 49.139 20.979 241 HA LEU 33 HA LEU 33 31.398 46.692 21.161 242 HB2 LEU 33 HB2 LEU 33 32.705 48.265 23.401 243 HB3 LEU 33 HB3 LEU 33 32.117 46.609 23.450 244 HG LEU 33 HG LEU 33 34.536 47.659 21.915 245 HD11 LEU 33 HD11 LEU 33 35.756 46.150 23.421 246 HD12 LEU 33 HD12 LEU 33 34.812 47.342 24.335 247 HD13 LEU 33 HD13 LEU 33 34.230 45.673 24.197 248 HD21 LEU 33 HD21 LEU 33 33.535 45.892 20.535 249 HD22 LEU 33 HD22 LEU 33 34.997 45.294 21.322 250 HD23 LEU 33 HD23 LEU 33 33.402 44.827 21.949 251 H GLU 34 H GLU 34 31.053 50.097 22.077 252 HA GLU 34 HA GLU 34 28.570 49.933 23.464 253 HB2 GLU 34 HB2 GLU 34 30.288 51.882 23.054 254 HB3 GLU 34 HB3 GLU 34 29.295 52.256 21.652 255 HG2 GLU 34 HG2 GLU 34 27.448 52.879 23.000 256 HG3 GLU 34 HG3 GLU 34 28.057 51.991 24.401 257 H ARG 35 H ARG 35 29.252 49.965 19.975 258 HA ARG 35 HA ARG 35 26.418 49.770 19.213 259 HB2 ARG 35 HB2 ARG 35 29.001 49.342 17.635 260 HB3 ARG 35 HB3 ARG 35 27.373 49.222 16.953 261 HG2 ARG 35 HG2 ARG 35 26.928 51.575 17.742 262 HG3 ARG 35 HG3 ARG 35 28.630 51.719 18.168 263 HD2 ARG 35 HD2 ARG 35 27.575 51.076 15.385 264 HD3 ARG 35 HD3 ARG 35 27.975 52.690 15.968 265 HE ARG 35 HE ARG 35 30.114 50.565 15.922 266 HH11 ARG 35 HH11 ARG 35 28.941 53.627 14.571 267 HH12 ARG 35 HH12 ARG 35 30.368 53.771 13.590 268 HH21 ARG 35 HH21 ARG 35 31.846 50.917 14.767 269 HH22 ARG 35 HH22 ARG 35 32.081 52.403 13.829 270 H GLU 36 H GLU 36 29.090 47.378 19.507 271 HA GLU 36 HA GLU 36 27.585 45.141 18.622 272 HB2 GLU 36 HB2 GLU 36 30.070 45.240 18.966 273 HB3 GLU 36 HB3 GLU 36 29.794 45.200 20.703 274 HG2 GLU 36 HG2 GLU 36 30.441 43.025 20.094 275 HG3 GLU 36 HG3 GLU 36 28.725 42.916 20.424 276 H LEU 37 H LEU 37 27.545 46.721 21.784 277 HA LEU 37 HA LEU 37 25.406 44.844 22.683 278 HB2 LEU 37 HB2 LEU 37 27.250 46.564 24.365 279 HB3 LEU 37 HB3 LEU 37 25.979 45.508 24.978 280 HG LEU 37 HG LEU 37 28.502 44.599 23.524 281 HD11 LEU 37 HD11 LEU 37 29.043 43.600 25.710 282 HD12 LEU 37 HD12 LEU 37 28.855 45.353 25.842 283 HD13 LEU 37 HD13 LEU 37 27.557 44.283 26.408 284 HD21 LEU 37 HD21 LEU 37 26.242 42.942 24.738 285 HD22 LEU 37 HD22 LEU 37 26.665 43.034 23.015 286 HD23 LEU 37 HD23 LEU 37 27.795 42.305 24.153 287 H GLU 38 H GLU 38 25.015 47.266 20.907 288 HA GLU 38 HA GLU 38 23.711 49.375 22.203 289 HB2 GLU 38 HB2 GLU 38 24.166 49.409 19.844 290 HB3 GLU 38 HB3 GLU 38 23.236 47.947 19.586 291 HG2 GLU 38 HG2 GLU 38 21.933 49.588 18.660 292 HG3 GLU 38 HG3 GLU 38 21.126 49.231 20.168 293 H ASP 39 H ASP 39 22.183 46.362 21.065 294 HA ASP 39 HA ASP 39 19.558 46.913 21.601 295 HB2 ASP 39 HB2 ASP 39 20.894 44.184 21.504 296 HB3 ASP 39 HB3 ASP 39 19.200 44.519 21.161 297 H ILE 40 H ILE 40 21.534 46.599 24.196 298 HA ILE 40 HA ILE 40 19.521 45.184 25.903 299 HB ILE 40 HB ILE 40 22.433 45.533 26.580 300 HG12 ILE 40 HG12 ILE 40 21.241 43.004 25.388 301 HG13 ILE 40 HG13 ILE 40 22.141 44.173 24.430 302 HG21 ILE 40 HG21 ILE 40 21.031 44.976 28.539 303 HG22 ILE 40 HG22 ILE 40 20.305 43.631 27.648 304 HG23 ILE 40 HG23 ILE 40 22.014 43.600 28.125 305 HD11 ILE 40 HD11 ILE 40 23.640 42.441 24.968 306 HD12 ILE 40 HD12 ILE 40 24.131 43.885 25.859 307 HD13 ILE 40 HD13 ILE 40 23.301 42.553 26.700 308 H GLU 41 H GLU 41 19.534 48.026 25.016 309 HA GLU 41 HA GLU 41 20.220 49.876 27.090 310 HB2 GLU 41 HB2 GLU 41 19.843 50.319 24.628 311 HB3 GLU 41 HB3 GLU 41 18.122 50.109 24.908 312 HG2 GLU 41 HG2 GLU 41 18.561 52.437 24.829 313 HG3 GLU 41 HG3 GLU 41 18.174 52.048 26.496 314 H1 GLY 0 H1 GLY 0 28.113 53.805 26.685 315 H2 GLY 0 H2 GLY 0 27.274 55.076 27.280 316 H3 GLY 0 H3 GLY 0 27.210 53.626 28.058 317 HA2 GLY 0 HA2 GLY 0 29.672 55.203 27.729 318 HA3 GLY 0 HA3 GLY 0 28.661 55.235 29.195 319 H MET 1 H MET 1 31.406 54.397 29.264 320 HA MET 1 HA MET 1 31.919 51.685 28.782 321 HB2 MET 1 HB2 MET 1 33.543 53.557 29.343 322 HB3 MET 1 HB3 MET 1 33.160 53.318 31.039 323 HG2 MET 1 HG2 MET 1 34.236 51.150 29.185 324 HG3 MET 1 HG3 MET 1 35.262 52.198 30.148 325 HE1 MET 1 HE1 MET 1 34.051 52.417 32.984 326 HE2 MET 1 HE2 MET 1 34.704 50.985 33.807 327 HE3 MET 1 HE3 MET 1 35.742 51.931 32.725 328 H ASP 2 H ASP 2 30.759 53.076 31.851 329 HA ASP 2 HA ASP 2 30.709 50.665 33.371 330 HB2 ASP 2 HB2 ASP 2 30.713 52.937 34.269 331 HB3 ASP 2 HB3 ASP 2 29.145 53.267 33.547 332 H ALA 3 H ALA 3 28.061 52.260 31.515 333 HA ALA 3 HA ALA 3 26.140 50.210 31.871 334 HB1 ALA 3 HB1 ALA 3 26.444 52.218 29.602 335 HB2 ALA 3 HB2 ALA 3 24.987 51.281 29.981 336 HB3 ALA 3 HB3 ALA 3 25.584 52.477 31.140 337 H ILE 4 H ILE 4 28.699 50.517 29.329 338 HA ILE 4 HA ILE 4 27.872 48.252 27.763 339 HB ILE 4 HB ILE 4 30.623 49.442 28.248 340 HG12 ILE 4 HG12 ILE 4 28.894 49.550 25.738 341 HG13 ILE 4 HG13 ILE 4 28.832 50.786 26.981 342 HG21 ILE 4 HG21 ILE 4 30.904 47.047 27.575 343 HG22 ILE 4 HG22 ILE 4 29.894 47.360 26.147 344 HG23 ILE 4 HG23 ILE 4 31.468 48.149 26.337 345 HD11 ILE 4 HD11 ILE 4 31.335 51.118 26.693 346 HD12 ILE 4 HD12 ILE 4 31.226 50.084 25.245 347 HD13 ILE 4 HD13 ILE 4 30.334 51.601 25.331 348 H LYS 5 H LYS 5 30.066 48.438 30.641 349 HA LYS 5 HA LYS 5 30.445 45.576 30.654 350 HB2 LYS 5 HB2 LYS 5 31.785 47.542 31.939 351 HB3 LYS 5 HB3 LYS 5 30.688 47.066 33.247 352 HG2 LYS 5 HG2 LYS 5 31.411 44.590 32.462 353 HG3 LYS 5 HG3 LYS 5 32.794 45.440 31.784 354 HD2 LYS 5 HD2 LYS 5 31.906 45.313 34.683 355 HD3 LYS 5 HD3 LYS 5 33.296 44.505 33.954 356 HE2 LYS 5 HE2 LYS 5 34.179 46.890 33.439 357 HE3 LYS 5 HE3 LYS 5 32.906 47.454 34.548 358 HZ1 LYS 5 HZ1 LYS 5 35.221 45.730 35.118 359 HZ2 LYS 5 HZ2 LYS 5 34.723 47.072 35.969 360 HZ3 LYS 5 HZ3 LYS 5 33.911 45.659 36.098 361 H LYS 6 H LYS 6 28.067 47.659 32.337 362 HA LYS 6 HA LYS 6 26.828 45.511 33.768 363 HB2 LYS 6 HB2 LYS 6 26.416 47.791 34.426 364 HB3 LYS 6 HB3 LYS 6 25.666 48.177 32.866 365 HG2 LYS 6 HG2 LYS 6 23.787 46.807 33.281 366 HG3 LYS 6 HG3 LYS 6 24.583 45.931 34.600 367 HD2 LYS 6 HD2 LYS 6 24.425 47.852 36.069 368 HD3 LYS 6 HD3 LYS 6 23.746 48.854 34.757 369 HE2 LYS 6 HE2 LYS 6 21.782 47.465 34.584 370 HE3 LYS 6 HE3 LYS 6 22.490 46.216 35.606 371 HZ1 LYS 6 HZ1 LYS 6 22.314 47.655 37.500 372 HZ2 LYS 6 HZ2 LYS 6 21.743 48.916 36.605 373 HZ3 LYS 6 HZ3 LYS 6 20.853 47.532 36.742 374 H LYS 7 H LYS 7 25.968 46.825 30.536 375 HA LYS 7 HA LYS 7 23.934 44.935 29.886 376 HB2 LYS 7 HB2 LYS 7 25.954 46.454 28.178 377 HB3 LYS 7 HB3 LYS 7 24.703 45.419 27.498 378 HG2 LYS 7 HG2 LYS 7 22.937 46.789 28.561 379 HG3 LYS 7 HG3 LYS 7 24.154 47.878 29.227 380 HD2 LYS 7 HD2 LYS 7 24.936 48.424 26.917 381 HD3 LYS 7 HD3 LYS 7 23.752 47.275 26.277 382 HE2 LYS 7 HE2 LYS 7 21.928 48.656 27.353 383 HE3 LYS 7 HE3 LYS 7 23.150 49.874 27.724 384 HZ1 LYS 7 HZ1 LYS 7 22.370 48.981 24.976 385 HZ2 LYS 7 HZ2 LYS 7 22.056 50.427 25.694 386 HZ3 LYS 7 HZ3 LYS 7 23.590 50.040 25.324 387 H MET 8 H MET 8 27.491 44.667 29.381 388 HA MET 8 HA MET 8 27.450 42.051 28.265 389 HB2 MET 8 HB2 MET 8 29.393 43.593 28.219 390 HB3 MET 8 HB3 MET 8 29.598 43.391 29.957 391 HG2 MET 8 HG2 MET 8 31.199 42.025 28.811 392 HG3 MET 8 HG3 MET 8 30.049 40.972 29.628 393 HE1 MET 8 HE1 MET 8 31.075 38.968 28.205 394 HE2 MET 8 HE2 MET 8 31.160 38.954 26.429 395 HE3 MET 8 HE3 MET 8 32.164 40.090 27.360 396 H GLN 9 H GLN 9 27.629 43.012 31.747 397 HA GLN 9 HA GLN 9 27.735 40.310 32.734 398 HB2 GLN 9 HB2 GLN 9 28.323 42.442 34.002 399 HB3 GLN 9 HB3 GLN 9 26.602 42.760 34.109 400 HG2 GLN 9 HG2 GLN 9 27.046 41.778 36.158 401 HG3 GLN 9 HG3 GLN 9 26.377 40.438 35.256 402 HE21 GLN 9 HE21 GLN 9 30.461 40.224 35.840 403 HE22 GLN 9 HE22 GLN 9 29.823 41.786 35.381 404 H MET 10 H MET 10 24.931 42.506 32.109 405 HA MET 10 HA MET 10 22.861 40.743 32.970 406 HB2 MET 10 HB2 MET 10 22.914 42.906 30.834 407 HB3 MET 10 HB3 MET 10 21.446 42.068 31.339 408 HG2 MET 10 HG2 MET 10 21.531 42.965 33.532 409 HG3 MET 10 HG3 MET 10 23.200 43.487 33.355 410 HE1 MET 10 HE1 MET 10 19.617 45.604 31.294 411 HE2 MET 10 HE2 MET 10 20.214 44.033 30.727 412 HE3 MET 10 HE3 MET 10 19.462 44.166 32.333 413 H LEU 11 H LEU 11 24.506 40.966 29.781 414 HA LEU 11 HA LEU 11 22.936 39.035 28.464 415 HB2 LEU 11 HB2 LEU 11 24.697 40.656 27.533 416 HB3 LEU 11 HB3 LEU 11 25.917 39.509 28.074 417 HG LEU 11 HG LEU 11 24.873 37.773 26.570 418 HD11 LEU 11 HD11 LEU 11 23.268 40.156 25.520 419 HD12 LEU 11 HD12 LEU 11 23.355 38.542 24.781 420 HD13 LEU 11 HD13 LEU 11 22.588 38.753 26.358 421 HD21 LEU 11 HD21 LEU 11 25.780 38.709 24.505 422 HD22 LEU 11 HD22 LEU 11 25.667 40.362 25.155 423 HD23 LEU 11 HD23 LEU 11 26.810 39.208 25.855 424 H LYS 12 H LYS 12 25.676 38.537 30.691 425 HA LYS 12 HA LYS 12 25.698 35.621 30.483 426 HB2 LYS 12 HB2 LYS 12 26.603 37.276 32.865 427 HB3 LYS 12 HB3 LYS 12 27.039 35.617 32.483 428 HG2 LYS 12 HG2 LYS 12 28.344 36.394 30.519 429 HG3 LYS 12 HG3 LYS 12 27.873 38.061 30.881 430 HD2 LYS 12 HD2 LYS 12 28.872 37.645 33.240 431 HD3 LYS 12 HD3 LYS 12 29.650 36.223 32.520 432 HE2 LYS 12 HE2 LYS 12 30.774 37.701 30.854 433 HE3 LYS 12 HE3 LYS 12 29.879 39.086 31.493 434 HZ1 LYS 12 HZ1 LYS 12 31.040 38.363 33.726 435 HZ2 LYS 12 HZ2 LYS 12 32.141 37.678 32.747 436 HZ3 LYS 12 HZ3 LYS 12 31.864 39.262 32.611 437 H LEU 13 H LEU 13 23.963 37.939 32.611 438 HA LEU 13 HA LEU 13 22.898 35.946 34.389 439 HB2 LEU 13 HB2 LEU 13 21.733 38.653 33.621 440 HB3 LEU 13 HB3 LEU 13 21.164 37.647 34.939 441 HG LEU 13 HG LEU 13 23.922 38.927 34.777 442 HD11 LEU 13 HD11 LEU 13 21.534 39.527 36.561 443 HD12 LEU 13 HD12 LEU 13 23.120 40.331 36.612 444 HD13 LEU 13 HD13 LEU 13 22.080 40.521 35.193 445 HD21 LEU 13 HD21 LEU 13 22.637 37.263 36.979 446 HD22 LEU 13 HD22 LEU 13 24.096 36.851 36.028 447 HD23 LEU 13 HD23 LEU 13 24.133 38.211 37.151 448 H ASP 14 H ASP 14 21.629 37.175 31.280 449 HA ASP 14 HA ASP 14 19.323 35.389 31.405 450 HB2 ASP 14 HB2 ASP 14 20.449 37.125 29.201 451 HB3 ASP 14 HB3 ASP 14 19.020 36.102 29.016 452 H ASN 15 H ASN 15 22.569 35.091 29.909 453 HA ASN 15 HA ASN 15 22.226 32.571 28.628 454 HB2 ASN 15 HB2 ASN 15 24.261 34.225 28.819 455 HB3 ASN 15 HB3 ASN 15 24.664 33.352 30.286 456 HD21 ASN 15 HD21 ASN 15 25.942 32.095 26.783 457 HD22 ASN 15 HD22 ASN 15 24.770 33.396 26.862 458 H TYR 16 H TYR 16 22.924 33.364 32.026 459 HA TYR 16 HA TYR 16 22.770 30.694 33.088 460 HB2 TYR 16 HB2 TYR 16 24.062 32.353 34.172 461 HB3 TYR 16 HB3 TYR 16 22.755 33.507 34.185 462 HD1 TYR 16 HD1 TYR 16 21.439 33.822 36.068 463 HD2 TYR 16 HD2 TYR 16 23.778 30.209 35.671 464 HE1 TYR 16 HE1 TYR 16 20.954 33.254 38.437 465 HE2 TYR 16 HE2 TYR 16 23.247 29.608 38.032 466 HH TYR 16 HH TYR 16 22.468 30.563 40.075 467 H HIS 17 H HIS 17 20.227 33.243 32.693 468 HA HIS 17 HA HIS 17 18.145 31.834 34.093 469 HB2 HIS 17 HB2 HIS 17 18.127 34.242 33.223 470 HB3 HIS 17 HB3 HIS 17 17.779 33.586 31.632 471 HD2 HIS 17 HD2 HIS 17 16.131 34.851 34.658 472 HE1 HIS 17 HE1 HIS 17 13.039 32.765 32.623 473 HE2 HIS 17 HE2 HIS 17 13.539 34.455 34.455 474 H LEU 18 H LEU 18 19.147 31.754 30.657 475 HA LEU 18 HA LEU 18 17.363 29.665 29.851 476 HB2 LEU 18 HB2 LEU 18 20.014 30.632 28.730 477 HB3 LEU 18 HB3 LEU 18 18.985 29.438 27.934 478 HG LEU 18 HG LEU 18 17.940 32.208 28.638 479 HD11 LEU 18 HD11 LEU 18 19.941 32.462 27.197 480 HD12 LEU 18 HD12 LEU 18 19.204 31.364 26.003 481 HD13 LEU 18 HD13 LEU 18 18.446 32.920 26.371 482 HD21 LEU 18 HD21 LEU 18 16.347 31.734 26.819 483 HD22 LEU 18 HD22 LEU 18 17.098 30.148 26.555 484 HD23 LEU 18 HD23 LEU 18 16.243 30.495 28.076 485 H GLU 19 H GLU 19 20.823 29.411 31.021 486 HA GLU 19 HA GLU 19 20.883 26.575 30.789 487 HB2 GLU 19 HB2 GLU 19 22.891 27.899 31.093 488 HB3 GLU 19 HB3 GLU 19 22.408 28.336 32.741 489 HG2 GLU 19 HG2 GLU 19 22.719 26.129 33.554 490 HG3 GLU 19 HG3 GLU 19 22.603 25.426 31.940 491 H ASN 20 H ASN 20 19.453 28.540 33.388 492 HA ASN 20 HA ASN 20 18.852 26.140 35.025 493 HB2 ASN 20 HB2 ASN 20 18.000 29.049 35.231 494 HB3 ASN 20 HB3 ASN 20 17.446 27.795 36.313 495 HD21 ASN 20 HD21 ASN 20 21.089 29.341 36.921 496 HD22 ASN 20 HD22 ASN 20 20.029 29.959 35.689 497 H GLU 21 H GLU 21 17.157 27.839 32.377 498 HA GLU 21 HA GLU 21 14.721 26.254 32.755 499 HB2 GLU 21 HB2 GLU 21 14.699 28.431 31.564 500 HB3 GLU 21 HB3 GLU 21 15.758 27.764 30.330 501 HG2 GLU 21 HG2 GLU 21 13.532 27.800 29.468 502 HG3 GLU 21 HG3 GLU 21 14.000 26.122 29.690 503 H VAL 22 H VAL 22 17.672 25.929 30.747 504 HA VAL 22 HA VAL 22 17.070 23.401 29.563 505 HB VAL 22 HB VAL 22 19.718 24.651 30.391 506 HG11 VAL 22 HG11 VAL 22 20.808 22.992 28.901 507 HG12 VAL 22 HG12 VAL 22 20.110 22.245 30.341 508 HG13 VAL 22 HG13 VAL 22 19.270 22.105 28.779 509 HG21 VAL 22 HG21 VAL 22 19.990 24.988 27.958 510 HG22 VAL 22 HG22 VAL 22 18.403 24.244 27.660 511 HG23 VAL 22 HG23 VAL 22 18.532 25.779 28.541 512 H ALA 23 H ALA 23 18.539 24.126 32.799 513 HA ALA 23 HA ALA 23 18.718 21.394 33.588 514 HB1 ALA 23 HB1 ALA 23 18.937 22.285 35.851 515 HB2 ALA 23 HB2 ALA 23 19.891 23.237 34.699 516 HB3 ALA 23 HB3 ALA 23 18.345 23.870 35.316 517 H ARG 24 H ARG 24 15.969 23.701 33.997 518 HA ARG 24 HA ARG 24 14.205 21.946 35.406 519 HB2 ARG 24 HB2 ARG 24 13.959 24.449 34.931 520 HB3 ARG 24 HB3 ARG 24 13.405 24.019 33.311 521 HG2 ARG 24 HG2 ARG 24 11.512 22.718 34.347 522 HG3 ARG 24 HG3 ARG 24 12.112 23.197 35.940 523 HD2 ARG 24 HD2 ARG 24 10.412 24.769 35.527 524 HD3 ARG 24 HD3 ARG 24 11.889 25.631 35.164 525 HE ARG 24 HE ARG 24 11.378 25.673 32.897 526 HH11 ARG 24 HH11 ARG 24 8.845 23.852 34.552 527 HH12 ARG 24 HH12 ARG 24 7.785 23.947 33.169 528 HH21 ARG 24 HH21 ARG 24 10.043 25.705 31.217 529 HH22 ARG 24 HH22 ARG 24 8.416 25.047 31.330 530 H LEU 25 H LEU 25 14.653 22.393 31.901 531 HA LEU 25 HA LEU 25 12.858 20.274 31.125 532 HB2 LEU 25 HB2 LEU 25 15.108 21.691 29.666 533 HB3 LEU 25 HB3 LEU 25 13.979 20.573 28.904 534 HG LEU 25 HG LEU 25 12.980 23.042 30.387 535 HD11 LEU 25 HD11 LEU 25 12.909 24.273 28.333 536 HD12 LEU 25 HD12 LEU 25 14.578 23.767 28.613 537 HD13 LEU 25 HD13 LEU 25 13.574 22.916 27.412 538 HD21 LEU 25 HD21 LEU 25 11.041 22.797 28.912 539 HD22 LEU 25 HD22 LEU 25 11.783 21.386 28.125 540 HD23 LEU 25 HD23 LEU 25 11.297 21.314 29.836 541 H LYS 26 H LYS 26 16.361 20.255 31.818 542 HA LYS 26 HA LYS 26 16.905 17.571 31.024 543 HB2 LYS 26 HB2 LYS 26 18.586 19.377 31.484 544 HB3 LYS 26 HB3 LYS 26 18.271 19.183 33.216 545 HG2 LYS 26 HG2 LYS 26 19.055 16.835 33.084 546 HG3 LYS 26 HG3 LYS 26 19.325 17.024 31.340 547 HD2 LYS 26 HD2 LYS 26 21.026 18.786 31.825 548 HD3 LYS 26 HD3 LYS 26 20.741 18.562 33.567 549 HE2 LYS 26 HE2 LYS 26 21.387 16.153 33.336 550 HE3 LYS 26 HE3 LYS 26 21.722 16.419 31.623 551 HZ1 LYS 26 HZ1 LYS 26 23.441 18.048 32.304 552 HZ2 LYS 26 HZ2 LYS 26 23.150 17.690 33.900 553 HZ3 LYS 26 HZ3 LYS 26 23.752 16.555 32.870 554 H LYS 27 H LYS 27 15.469 18.794 34.034 555 HA LYS 27 HA LYS 27 15.276 16.103 35.212 556 HB2 LYS 27 HB2 LYS 27 15.203 18.112 36.631 557 HB3 LYS 27 HB3 LYS 27 13.681 18.618 35.869 558 HG2 LYS 27 HG2 LYS 27 12.568 16.574 36.649 559 HG3 LYS 27 HG3 LYS 27 14.076 15.945 37.299 560 HD2 LYS 27 HD2 LYS 27 12.682 18.464 38.310 561 HD3 LYS 27 HD3 LYS 27 12.492 16.843 38.996 562 HE2 LYS 27 HE2 LYS 27 14.999 16.781 39.357 563 HE3 LYS 27 HE3 LYS 27 15.055 18.481 38.890 564 HZ1 LYS 27 HZ1 LYS 27 14.890 18.344 41.252 565 HZ2 LYS 27 HZ2 LYS 27 13.434 18.896 40.742 566 HZ3 LYS 27 HZ3 LYS 27 13.591 17.342 41.219 567 H LEU 28 H LEU 28 12.928 18.216 33.476 568 HA LEU 28 HA LEU 28 10.795 16.388 33.513 569 HB2 LEU 28 HB2 LEU 28 11.498 18.547 31.501 570 HB3 LEU 28 HB3 LEU 28 9.965 17.688 31.480 571 HG LEU 28 HG LEU 28 10.918 19.213 33.936 572 HD11 LEU 28 HD11 LEU 28 9.420 21.037 33.238 573 HD12 LEU 28 HD12 LEU 28 10.750 20.813 32.099 574 HD13 LEU 28 HD13 LEU 28 9.121 20.213 31.695 575 HD21 LEU 28 HD21 LEU 28 8.520 19.214 34.519 576 HD22 LEU 28 HD22 LEU 28 8.157 18.282 33.057 577 HD23 LEU 28 HD23 LEU 28 9.127 17.559 34.358 578 H VAL 29 H VAL 29 13.396 16.501 31.043 579 HA VAL 29 HA VAL 29 12.232 14.405 29.440 580 HB VAL 29 HB VAL 29 13.875 16.191 28.736 581 HG11 VAL 29 HG11 VAL 29 16.245 15.767 28.893 582 HG12 VAL 29 HG12 VAL 29 15.568 15.772 30.528 583 HG13 VAL 29 HG13 VAL 29 15.982 14.234 29.747 584 HG21 VAL 29 HG21 VAL 29 14.842 14.907 26.967 585 HG22 VAL 29 HG22 VAL 29 14.636 13.390 27.854 586 HG23 VAL 29 HG23 VAL 29 13.211 14.289 27.277 587 H GLY 30 H GLY 30 13.564 14.127 32.514 588 HA2 GLY 30 HA2 GLY 30 14.353 11.271 32.268 589 HA3 GLY 30 HA3 GLY 30 14.337 12.277 33.718 590 H GLU 31 H GLU 31 11.449 13.168 32.857 591 HA GLU 31 HA GLU 31 10.124 11.133 34.491 592 HB2 GLU 31 HB2 GLU 31 8.880 13.523 33.095 593 HB3 GLU 31 HB3 GLU 31 8.242 12.649 34.476 594 HG2 GLU 31 HG2 GLU 31 10.750 14.373 34.473 595 HG3 GLU 31 HG3 GLU 31 9.160 14.875 35.018 596 H ARG 32 H ARG 32 10.690 11.204 31.203 597 HA ARG 32 HA ARG 32 8.067 10.447 30.184 598 HB2 ARG 32 HB2 ARG 32 9.104 10.460 28.025 599 HB3 ARG 32 HB3 ARG 32 9.638 11.867 28.920 600 HG2 ARG 32 HG2 ARG 32 11.752 10.632 29.520 601 HG3 ARG 32 HG3 ARG 32 11.245 9.311 28.446 602 HD2 ARG 32 HD2 ARG 32 11.294 10.843 26.513 603 HD3 ARG 32 HD3 ARG 32 11.584 12.211 27.584 604 HE ARG 32 HE ARG 32 13.722 11.259 28.227 605 HH11 ARG 32 HH11 ARG 32 12.491 9.761 25.298 606 HH12 ARG 32 HH12 ARG 32 14.091 9.675 24.581 607 HH21 ARG 32 HH21 ARG 32 15.657 10.614 27.490 608 HH22 ARG 32 HH22 ARG 32 15.870 10.219 25.796 609 H1 GLY 0 H1 GLY 0 45.004 43.411 21.032 610 H2 GLY 0 H2 GLY 0 43.559 42.988 20.325 611 H3 GLY 0 H3 GLY 0 43.820 42.640 21.886 612 HA2 GLY 0 HA2 GLY 0 43.788 44.908 22.545 613 HA3 GLY 0 HA3 GLY 0 43.657 45.370 20.829 614 H MET 1 H MET 1 41.664 46.377 20.873 615 HA MET 1 HA MET 1 39.319 45.429 22.167 616 HB2 MET 1 HB2 MET 1 39.592 47.702 21.395 617 HB3 MET 1 HB3 MET 1 39.671 47.201 19.710 618 HG2 MET 1 HG2 MET 1 37.238 46.558 21.396 619 HG3 MET 1 HG3 MET 1 37.457 48.179 20.765 620 HE1 MET 1 HE1 MET 1 38.504 48.108 17.907 621 HE2 MET 1 HE2 MET 1 36.997 47.938 16.983 622 HE3 MET 1 HE3 MET 1 37.040 48.983 18.420 623 H ASP 2 H ASP 2 40.672 44.511 19.060 624 HA ASP 2 HA ASP 2 38.582 43.161 17.775 625 HB2 ASP 2 HB2 ASP 2 40.481 41.746 16.843 626 HB3 ASP 2 HB3 ASP 2 40.586 43.489 16.611 627 H ALA 3 H ALA 3 40.824 41.809 20.230 628 HA ALA 3 HA ALA 3 39.595 39.207 20.314 629 HB1 ALA 3 HB1 ALA 3 41.919 39.688 21.020 630 HB2 ALA 3 HB2 ALA 3 41.311 40.666 22.376 631 HB3 ALA 3 HB3 ALA 3 40.995 38.918 22.326 632 H ILE 4 H ILE 4 38.883 42.208 22.070 633 HA ILE 4 HA ILE 4 37.094 40.950 24.014 634 HB ILE 4 HB ILE 4 37.413 43.869 23.222 635 HG12 ILE 4 HG12 ILE 4 38.474 42.371 25.669 636 HG13 ILE 4 HG13 ILE 4 39.449 42.755 24.255 637 HG21 ILE 4 HG21 ILE 4 35.952 42.611 25.593 638 HG22 ILE 4 HG22 ILE 4 36.181 44.351 25.326 639 HG23 ILE 4 HG23 ILE 4 35.182 43.426 24.217 640 HD11 ILE 4 HD11 ILE 4 39.925 44.371 25.952 641 HD12 ILE 4 HD12 ILE 4 39.074 45.177 24.624 642 HD13 ILE 4 HD13 ILE 4 38.218 44.793 26.140 643 H LYS 5 H LYS 5 36.616 42.792 20.952 644 HA LYS 5 HA LYS 5 33.784 42.513 20.819 645 HB2 LYS 5 HB2 LYS 5 35.260 43.991 19.356 646 HB3 LYS 5 HB3 LYS 5 35.691 42.541 18.436 647 HG2 LYS 5 HG2 LYS 5 33.254 42.165 17.958 648 HG3 LYS 5 HG3 LYS 5 32.864 43.632 18.867 649 HD2 LYS 5 HD2 LYS 5 34.133 44.987 17.214 650 HD3 LYS 5 HD3 LYS 5 34.547 43.496 16.325 651 HE2 LYS 5 HE2 LYS 5 32.080 43.009 16.126 652 HE3 LYS 5 HE3 LYS 5 31.731 44.560 16.869 653 HZ1 LYS 5 HZ1 LYS 5 33.187 44.207 14.304 654 HZ2 LYS 5 HZ2 LYS 5 31.624 44.683 14.461 655 HZ3 LYS 5 HZ3 LYS 5 32.765 45.665 14.996 656 H LYS 6 H LYS 6 36.344 40.259 19.700 657 HA LYS 6 HA LYS 6 34.595 38.292 18.611 658 HB2 LYS 6 HB2 LYS 6 37.049 38.291 18.289 659 HB3 LYS 6 HB3 LYS 6 37.293 37.934 19.991 660 HG2 LYS 6 HG2 LYS 6 37.558 35.939 18.587 661 HG3 LYS 6 HG3 LYS 6 36.273 35.744 19.765 662 HD2 LYS 6 HD2 LYS 6 35.676 34.779 17.608 663 HD3 LYS 6 HD3 LYS 6 34.559 36.071 18.026 664 HE2 LYS 6 HE2 LYS 6 35.693 37.619 16.485 665 HE3 LYS 6 HE3 LYS 6 36.961 36.420 16.178 666 HZ1 LYS 6 HZ1 LYS 6 35.314 36.405 14.409 667 HZ2 LYS 6 HZ2 LYS 6 35.322 34.976 15.205 668 HZ3 LYS 6 HZ3 LYS 6 34.102 36.084 15.460 669 H LYS 7 H LYS 7 35.763 38.581 22.006 670 HA LYS 7 HA LYS 7 34.297 36.301 22.957 671 HB2 LYS 7 HB2 LYS 7 36.249 37.409 24.053 672 HB3 LYS 7 HB3 LYS 7 35.205 38.755 24.528 673 HG2 LYS 7 HG2 LYS 7 33.893 37.321 25.975 674 HG3 LYS 7 HG3 LYS 7 34.637 35.855 25.302 675 HD2 LYS 7 HD2 LYS 7 36.824 36.493 26.218 676 HD3 LYS 7 HD3 LYS 7 36.149 38.001 26.858 677 HE2 LYS 7 HE2 LYS 7 34.744 36.807 28.417 678 HE3 LYS 7 HE3 LYS 7 35.134 35.241 27.675 679 HZ1 LYS 7 HZ1 LYS 7 37.375 35.439 28.427 680 HZ2 LYS 7 HZ2 LYS 7 37.162 36.996 28.927 681 HZ3 LYS 7 HZ3 LYS 7 36.453 35.745 29.741 682 H MET 8 H MET 8 33.312 39.733 22.712 683 HA MET 8 HA MET 8 30.687 39.358 23.865 684 HB2 MET 8 HB2 MET 8 31.735 41.418 21.875 685 HB3 MET 8 HB3 MET 8 30.126 41.458 22.608 686 HG2 MET 8 HG2 MET 8 31.139 41.514 24.854 687 HG3 MET 8 HG3 MET 8 32.754 41.541 24.141 688 HE1 MET 8 HE1 MET 8 33.128 43.670 25.796 689 HE2 MET 8 HE2 MET 8 32.112 45.131 25.733 690 HE3 MET 8 HE3 MET 8 31.423 43.594 26.302 691 H GLN 9 H GLN 9 31.778 39.207 20.423 692 HA GLN 9 HA GLN 9 29.270 38.559 19.277 693 HB2 GLN 9 HB2 GLN 9 31.144 39.201 17.907 694 HB3 GLN 9 HB3 GLN 9 32.125 37.850 18.484 695 HG2 GLN 9 HG2 GLN 9 30.636 36.228 17.377 696 HG3 GLN 9 HG3 GLN 9 29.573 37.539 16.857 697 HE21 GLN 9 HE21 GLN 9 31.546 38.311 14.053 698 HE22 GLN 9 HE22 GLN 9 30.382 39.013 15.189 699 H MET 10 H MET 10 31.783 36.325 20.585 700 HA MET 10 HA MET 10 30.380 33.899 20.068 701 HB2 MET 10 HB2 MET 10 32.448 34.689 22.151 702 HB3 MET 10 HB3 MET 10 31.804 33.044 22.029 703 HG2 MET 10 HG2 MET 10 32.605 32.765 19.805 704 HG3 MET 10 HG3 MET 10 33.044 34.467 19.648 705 HE1 MET 10 HE1 MET 10 34.608 31.302 19.528 706 HE2 MET 10 HE2 MET 10 35.158 32.728 18.621 707 HE3 MET 10 HE3 MET 10 36.265 31.905 19.744 708 H LEU 11 H LEU 11 30.215 36.028 22.999 709 HA LEU 11 HA LEU 11 28.334 34.329 24.315 710 HB2 LEU 11 HB2 LEU 11 29.780 35.997 25.428 711 HB3 LEU 11 HB3 LEU 11 28.847 37.300 24.693 712 HG LEU 11 HG LEU 11 26.841 36.616 25.952 713 HD11 LEU 11 HD11 LEU 11 28.625 34.442 27.136 714 HD12 LEU 11 HD12 LEU 11 27.033 34.924 27.779 715 HD13 LEU 11 HD13 LEU 11 27.150 34.208 26.177 716 HD21 LEU 11 HD21 LEU 11 27.602 37.239 28.179 717 HD22 LEU 11 HD22 LEU 11 29.276 36.786 27.780 718 HD23 LEU 11 HD23 LEU 11 28.508 38.173 26.984 719 H LYS 12 H LYS 12 27.782 37.057 22.049 720 HA LYS 12 HA LYS 12 24.898 37.058 22.263 721 HB2 LYS 12 HB2 LYS 12 26.803 37.903 20.040 722 HB3 LYS 12 HB3 LYS 12 25.044 38.050 19.898 723 HG2 LYS 12 HG2 LYS 12 24.932 39.533 21.825 724 HG3 LYS 12 HG3 LYS 12 26.641 39.298 22.166 725 HD2 LYS 12 HD2 LYS 12 26.389 41.435 21.154 726 HD3 LYS 12 HD3 LYS 12 27.235 40.385 20.015 727 HE2 LYS 12 HE2 LYS 12 25.150 40.103 18.706 728 HE3 LYS 12 HE3 LYS 12 24.256 41.064 19.897 729 HZ1 LYS 12 HZ1 LYS 12 24.988 42.415 17.938 730 HZ2 LYS 12 HZ2 LYS 12 25.612 42.972 19.346 731 HZ3 LYS 12 HZ3 LYS 12 26.558 42.108 18.343 732 H LEU 13 H LEU 13 27.071 35.100 20.213 733 HA LEU 13 HA LEU 13 24.885 33.692 18.896 734 HB2 LEU 13 HB2 LEU 13 27.849 33.074 19.210 735 HB3 LEU 13 HB3 LEU 13 26.746 32.102 18.242 736 HG LEU 13 HG LEU 13 27.322 35.058 17.720 737 HD11 LEU 13 HD11 LEU 13 28.305 32.549 16.320 738 HD12 LEU 13 HD12 LEU 13 28.636 34.229 15.815 739 HD13 LEU 13 HD13 LEU 13 29.294 33.622 17.351 740 HD21 LEU 13 HD21 LEU 13 25.839 32.956 16.073 741 HD22 LEU 13 HD22 LEU 13 25.125 34.398 16.832 742 HD23 LEU 13 HD23 LEU 13 26.273 34.587 15.514 743 H ASP 14 H ASP 14 26.907 32.919 21.753 744 HA ASP 14 HA ASP 14 25.820 30.357 22.339 745 HB2 ASP 14 HB2 ASP 14 27.859 31.276 23.310 746 HB3 ASP 14 HB3 ASP 14 26.947 32.571 24.083 747 H ASN 15 H ASN 15 24.628 33.631 23.356 748 HA ASN 15 HA ASN 15 22.328 32.687 24.755 749 HB2 ASN 15 HB2 ASN 15 23.024 35.289 23.353 750 HB3 ASN 15 HB3 ASN 15 21.396 35.004 23.965 751 HD21 ASN 15 HD21 ASN 15 22.495 36.324 27.018 752 HD22 ASN 15 HD22 ASN 15 21.467 36.577 25.585 753 H TYR 16 H TYR 16 22.669 33.337 21.206 754 HA TYR 16 HA TYR 16 19.921 32.676 20.590 755 HB2 TYR 16 HB2 TYR 16 21.069 33.819 18.883 756 HB3 TYR 16 HB3 TYR 16 22.468 32.761 18.965 757 HD1 TYR 16 HD1 TYR 16 22.626 30.752 17.681 758 HD2 TYR 16 HD2 TYR 16 18.884 32.883 17.884 759 HE1 TYR 16 HE1 TYR 16 21.684 29.251 15.944 760 HE2 TYR 16 HE2 TYR 16 17.941 31.381 16.120 761 HH TYR 16 HH TYR 16 19.912 28.813 14.580 762 H HIS 17 H HIS 17 22.892 30.627 20.659 763 HA HIS 17 HA HIS 17 21.443 28.243 19.900 764 HB2 HIS 17 HB2 HIS 17 24.190 28.726 21.058 765 HB3 HIS 17 HB3 HIS 17 23.536 27.095 20.880 766 HD2 HIS 17 HD2 HIS 17 25.333 29.678 18.895 767 HE1 HIS 17 HE1 HIS 17 23.762 26.980 15.995 768 HE2 HIS 17 HE2 HIS 17 25.366 28.907 16.360 769 H LEU 18 H LEU 18 22.027 29.687 23.124 770 HA LEU 18 HA LEU 18 20.824 27.438 24.500 771 HB2 LEU 18 HB2 LEU 18 21.449 30.309 25.205 772 HB3 LEU 18 HB3 LEU 18 20.433 29.345 26.267 773 HG LEU 18 HG LEU 18 23.218 28.443 25.435 774 HD11 LEU 18 HD11 LEU 18 23.794 29.166 27.795 775 HD12 LEU 18 HD12 LEU 18 23.415 30.507 26.671 776 HD13 LEU 18 HD13 LEU 18 22.228 29.968 27.879 777 HD21 LEU 18 HD21 LEU 18 22.998 26.975 27.429 778 HD22 LEU 18 HD22 LEU 18 21.342 27.565 27.689 779 HD23 LEU 18 HD23 LEU 18 21.745 26.608 26.248 780 H GLU 19 H GLU 19 19.355 30.507 23.237 781 HA GLU 19 HA GLU 19 16.637 29.886 23.959 782 HB2 GLU 19 HB2 GLU 19 18.027 31.544 21.886 783 HB3 GLU 19 HB3 GLU 19 16.402 31.060 21.472 784 HG2 GLU 19 HG2 GLU 19 16.782 32.252 24.207 785 HG3 GLU 19 HG3 GLU 19 16.991 33.313 22.815 786 H ASN 20 H ASN 20 18.621 28.803 21.187 787 HA ASN 20 HA ASN 20 16.461 27.294 20.022 788 HB2 ASN 20 HB2 ASN 20 18.608 28.383 18.953 789 HB3 ASN 20 HB3 ASN 20 19.396 26.859 19.383 790 HD21 ASN 20 HD21 ASN 20 16.273 26.826 16.655 791 HD22 ASN 20 HD22 ASN 20 16.352 28.079 17.886 792 H GLU 21 H GLU 21 19.144 26.312 22.181 793 HA GLU 21 HA GLU 21 18.546 23.491 22.091 794 HB2 GLU 21 HB2 GLU 21 20.723 24.569 22.816 795 HB3 GLU 21 HB3 GLU 21 19.907 25.098 24.289 796 HG2 GLU 21 HG2 GLU 21 21.145 23.120 24.803 797 HG3 GLU 21 HG3 GLU 21 19.443 22.683 24.840 798 H VAL 22 H VAL 22 17.510 26.153 24.280 799 HA VAL 22 HA VAL 22 15.705 24.618 25.907 800 HB VAL 22 HB VAL 22 15.740 27.542 25.076 801 HG11 VAL 22 HG11 VAL 22 13.380 27.048 25.476 802 HG12 VAL 22 HG12 VAL 22 13.784 26.190 26.982 803 HG13 VAL 22 HG13 VAL 22 14.034 27.944 26.843 804 HG21 VAL 22 HG21 VAL 22 17.475 26.767 26.686 805 HG22 VAL 22 HG22 VAL 22 16.337 27.881 27.446 806 HG23 VAL 22 HG23 VAL 22 16.198 26.138 27.752 807 H ALA 23 H ALA 23 15.164 26.294 22.730 808 HA ALA 23 HA ALA 23 12.479 25.449 22.455 809 HB1 ALA 23 HB1 ALA 23 13.545 27.202 21.124 810 HB2 ALA 23 HB2 ALA 23 14.526 25.989 20.274 811 HB3 ALA 23 HB3 ALA 23 12.766 25.988 20.091 812 H ARG 24 H ARG 24 15.465 23.728 21.369 813 HA ARG 24 HA ARG 24 14.185 21.473 20.191 814 HB2 ARG 24 HB2 ARG 24 16.647 22.085 20.088 815 HB3 ARG 24 HB3 ARG 24 16.822 21.484 21.739 816 HG2 ARG 24 HG2 ARG 24 15.998 19.218 20.928 817 HG3 ARG 24 HG3 ARG 24 15.936 19.889 19.293 818 HD2 ARG 24 HD2 ARG 24 18.002 18.754 19.388 819 HD3 ARG 24 HD3 ARG 24 18.421 20.450 19.557 820 HE ARG 24 HE ARG 24 19.009 20.112 21.850 821 HH11 ARG 24 HH11 ARG 24 17.975 17.041 20.464 822 HH12 ARG 24 HH12 ARG 24 18.897 16.140 21.637 823 HH21 ARG 24 HH21 ARG 24 19.938 19.016 23.278 824 HH22 ARG 24 HH22 ARG 24 19.964 17.241 23.300 825 H LEU 25 H LEU 25 15.275 21.891 23.584 826 HA LEU 25 HA LEU 25 14.166 19.400 24.517 827 HB2 LEU 25 HB2 LEU 25 14.915 22.000 25.889 828 HB3 LEU 25 HB3 LEU 25 14.427 20.546 26.765 829 HG LEU 25 HG LEU 25 16.814 20.620 24.864 830 HD11 LEU 25 HD11 LEU 25 18.216 20.817 26.854 831 HD12 LEU 25 HD12 LEU 25 17.149 22.217 26.707 832 HD13 LEU 25 HD13 LEU 25 16.777 20.942 27.897 833 HD21 LEU 25 HD21 LEU 25 15.953 18.354 25.322 834 HD22 LEU 25 HD22 LEU 25 17.510 18.611 26.113 835 HD23 LEU 25 HD23 LEU 25 16.015 18.673 27.073 836 H LYS 26 H LYS 26 12.754 22.670 24.343 837 HA LYS 26 HA LYS 26 10.182 21.961 25.461 838 HB2 LYS 26 HB2 LYS 26 11.257 24.190 25.484 839 HB3 LYS 26 HB3 LYS 26 11.031 24.322 23.739 840 HG2 LYS 26 HG2 LYS 26 8.639 24.482 23.986 841 HG3 LYS 26 HG3 LYS 26 8.724 24.012 25.700 842 HD2 LYS 26 HD2 LYS 26 9.930 26.065 26.262 843 HD3 LYS 26 HD3 LYS 26 10.016 26.528 24.552 844 HE2 LYS 26 HE2 LYS 26 7.580 26.756 24.442 845 HE3 LYS 26 HE3 LYS 26 7.419 26.184 26.112 846 HZ1 LYS 26 HZ1 LYS 26 8.917 28.654 25.375 847 HZ2 LYS 26 HZ2 LYS 26 7.365 28.653 25.885 848 HZ3 LYS 26 HZ3 LYS 26 8.503 28.139 26.901 849 H LYS 27 H LYS 27 11.506 21.254 22.358 850 HA LYS 27 HA LYS 27 8.865 20.466 21.288 851 HB2 LYS 27 HB2 LYS 27 10.851 21.071 19.792 852 HB3 LYS 27 HB3 LYS 27 11.559 19.523 20.273 853 HG2 LYS 27 HG2 LYS 27 9.320 18.453 19.495 854 HG3 LYS 27 HG3 LYS 27 8.972 20.026 18.759 855 HD2 LYS 27 HD2 LYS 27 11.185 19.811 17.520 856 HD3 LYS 27 HD3 LYS 27 11.318 18.166 18.152 857 HE2 LYS 27 HE2 LYS 27 9.165 19.261 16.281 858 HE3 LYS 27 HE3 LYS 27 10.484 18.170 15.864 859 HZ1 LYS 27 HZ1 LYS 27 8.096 17.546 17.490 860 HZ2 LYS 27 HZ2 LYS 27 8.629 16.828 16.099 861 HZ3 LYS 27 HZ3 LYS 27 9.426 16.558 17.496 862 H LEU 28 H LEU 28 11.750 18.819 22.562 863 HA LEU 28 HA LEU 28 10.700 16.197 22.401 864 HB2 LEU 28 HB2 LEU 28 12.959 17.366 24.070 865 HB3 LEU 28 HB3 LEU 28 12.673 15.638 23.887 866 HG LEU 28 HG LEU 28 13.250 17.498 21.535 867 HD11 LEU 28 HD11 LEU 28 15.500 16.508 21.556 868 HD12 LEU 28 HD12 LEU 28 15.180 17.396 23.053 869 HD13 LEU 28 HD13 LEU 28 15.108 15.616 23.040 870 HD21 LEU 28 HD21 LEU 28 13.174 14.470 21.775 871 HD22 LEU 28 HD22 LEU 28 12.058 15.481 20.840 872 HD23 LEU 28 HD23 LEU 28 13.751 15.372 20.358 873 H VAL 29 H VAL 29 10.514 18.412 25.211 874 HA VAL 29 HA VAL 29 9.411 16.403 26.980 875 HB VAL 29 HB VAL 29 9.394 19.432 27.015 876 HG11 VAL 29 HG11 VAL 29 8.764 19.309 29.415 877 HG12 VAL 29 HG12 VAL 29 7.446 18.829 28.355 878 HG13 VAL 29 HG13 VAL 29 8.385 17.583 29.214 879 HG21 VAL 29 HG21 VAL 29 11.580 18.293 27.370 880 HG22 VAL 29 HG22 VAL 29 11.029 19.075 28.852 881 HG23 VAL 29 HG23 VAL 29 10.864 17.320 28.668 882 H GLY 30 H GLY 30 8.059 17.715 24.203 883 HA2 GLY 30 HA2 GLY 30 5.240 17.182 24.917 884 HA3 GLY 30 HA3 GLY 30 5.858 17.796 23.382 885 H GLU 31 H GLU 31 7.653 15.023 24.528 886 HA GLU 31 HA GLU 31 5.780 13.084 23.376 887 HB2 GLU 31 HB2 GLU 31 7.305 12.093 21.852 888 HB3 GLU 31 HB3 GLU 31 7.146 13.796 21.426 889 HG2 GLU 31 HG2 GLU 31 9.327 14.320 22.176 890 HG3 GLU 31 HG3 GLU 31 9.474 12.863 23.146 891 H ARG 32 H ARG 32 6.424 10.897 23.631 892 HA ARG 32 HA ARG 32 8.798 10.299 25.163 893 HB2 ARG 32 HB2 ARG 32 7.845 8.627 26.577 894 HB3 ARG 32 HB3 ARG 32 7.017 10.157 26.869 895 HG2 ARG 32 HG2 ARG 32 5.167 9.305 25.278 896 HG3 ARG 32 HG3 ARG 32 5.955 7.722 25.387 897 HD2 ARG 32 HD2 ARG 32 4.791 9.379 27.659 898 HD3 ARG 32 HD3 ARG 32 4.129 7.884 27.005 899 HE ARG 32 HE ARG 32 6.721 8.111 28.554 900 HH11 ARG 32 HH11 ARG 32 3.937 6.069 27.768 901 HH12 ARG 32 HH12 ARG 32 4.556 4.826 28.837 902 HH21 ARG 32 HH21 ARG 32 7.380 6.550 29.663 903 HH22 ARG 32 HH22 ARG 32 6.543 4.977 29.746 Start of MODEL 6 1 H1 SER 2 H1 SER 2 34.148 32.301 36.707 2 H2 SER 2 H2 SER 2 34.289 33.849 36.156 3 H3 SER 2 H3 SER 2 33.842 33.574 37.711 4 HA SER 2 HA SER 2 36.135 34.315 37.473 5 HB2 SER 2 HB2 SER 2 35.480 32.949 39.449 6 HB3 SER 2 HB3 SER 2 35.896 31.480 38.550 7 HG SER 2 HG SER 2 37.655 32.046 39.778 8 H THR 3 H THR 3 38.122 34.034 36.577 9 HA THR 3 HA THR 3 38.534 32.837 34.059 10 HB THR 3 HB THR 3 40.520 33.539 36.258 11 HG1 THR 3 HG1 THR 3 40.613 35.491 35.052 12 HG21 THR 3 HG21 THR 3 40.970 33.353 33.251 13 HG22 THR 3 HG22 THR 3 42.100 34.040 34.434 14 HG23 THR 3 HG23 THR 3 41.711 32.317 34.497 15 H PHE 4 H PHE 4 39.811 30.985 33.398 16 HA PHE 4 HA PHE 4 40.205 28.798 33.261 17 HB2 PHE 4 HB2 PHE 4 41.818 29.290 35.053 18 HB3 PHE 4 HB3 PHE 4 40.634 28.831 36.257 19 HD1 PHE 4 HD1 PHE 4 42.781 27.567 33.503 20 HD2 PHE 4 HD2 PHE 4 40.252 26.531 36.835 21 HE1 PHE 4 HE1 PHE 4 43.683 25.254 33.470 22 HE2 PHE 4 HE2 PHE 4 41.143 24.208 36.793 23 HZ PHE 4 HZ PHE 4 42.869 23.572 35.115 24 H GLY 5 H GLY 5 37.471 29.771 35.086 25 HA2 GLY 5 HA2 GLY 5 36.128 27.244 35.343 26 HA3 GLY 5 HA3 GLY 5 35.358 28.832 35.234 27 H TYR 6 H TYR 6 34.389 26.388 34.061 28 HA TYR 6 HA TYR 6 35.194 26.038 31.360 29 HB2 TYR 6 HB2 TYR 6 34.127 24.293 32.647 30 HB3 TYR 6 HB3 TYR 6 32.668 25.260 32.831 31 HD1 TYR 6 HD1 TYR 6 34.869 23.871 30.086 32 HD2 TYR 6 HD2 TYR 6 30.867 24.784 31.421 33 HE1 TYR 6 HE1 TYR 6 33.945 22.872 28.008 34 HE2 TYR 6 HE2 TYR 6 29.942 23.759 29.356 35 HH TYR 6 HH TYR 6 30.479 22.378 27.531 36 H ARG 7 H ARG 7 34.422 26.619 29.455 37 HA ARG 7 HA ARG 7 31.967 28.166 29.037 38 HB2 ARG 7 HB2 ARG 7 34.728 29.137 28.153 39 HB3 ARG 7 HB3 ARG 7 33.214 29.679 27.413 40 HG2 ARG 7 HG2 ARG 7 32.433 30.569 29.571 41 HG3 ARG 7 HG3 ARG 7 33.928 30.035 30.358 42 HD2 ARG 7 HD2 ARG 7 35.270 31.560 29.032 43 HD3 ARG 7 HD3 ARG 7 33.882 31.962 28.011 44 HE ARG 7 HE ARG 7 33.189 33.527 29.557 45 HH11 ARG 7 HH11 ARG 7 35.597 31.596 31.315 46 HH12 ARG 7 HH12 ARG 7 35.296 32.579 32.753 47 HH21 ARG 7 HH21 ARG 7 32.980 34.591 31.377 48 HH22 ARG 7 HH22 ARG 7 33.918 34.112 32.802 49 H ARG 8 H ARG 8 31.127 27.736 26.906 50 HA ARG 8 HA ARG 8 31.815 25.036 26.046 51 HB2 ARG 8 HB2 ARG 8 29.853 27.112 24.982 52 HB3 ARG 8 HB3 ARG 8 30.017 25.499 24.294 53 HG2 ARG 8 HG2 ARG 8 29.267 24.412 26.249 54 HG3 ARG 8 HG3 ARG 8 29.461 25.839 27.268 55 HD2 ARG 8 HD2 ARG 8 27.487 25.791 24.961 56 HD3 ARG 8 HD3 ARG 8 27.065 25.163 26.553 57 HE ARG 8 HE ARG 8 27.502 27.988 25.786 58 HH11 ARG 8 HH11 ARG 8 26.869 25.803 28.530 59 HH12 ARG 8 HH12 ARG 8 26.447 27.108 29.579 60 HH21 ARG 8 HH21 ARG 8 27.059 29.545 27.185 61 HH22 ARG 8 HH22 ARG 8 26.496 29.253 28.806 62 H GLY 9 H GLY 9 32.929 24.298 24.311 63 HA2 GLY 9 HA2 GLY 9 34.276 24.265 22.463 64 HA3 GLY 9 HA3 GLY 9 33.455 25.731 21.920 65 H LEU 10 H LEU 10 35.444 25.467 24.868 66 HA LEU 10 HA LEU 10 37.792 26.764 23.649 67 HB2 LEU 10 HB2 LEU 10 36.219 27.898 26.006 68 HB3 LEU 10 HB3 LEU 10 37.859 28.391 25.605 69 HG LEU 10 HG LEU 10 35.454 28.790 23.769 70 HD11 LEU 10 HD11 LEU 10 35.609 31.136 24.405 71 HD12 LEU 10 HD12 LEU 10 35.295 30.127 25.824 72 HD13 LEU 10 HD13 LEU 10 36.936 30.765 25.546 73 HD21 LEU 10 HD21 LEU 10 37.605 28.692 22.528 74 HD22 LEU 10 HD22 LEU 10 36.972 30.336 22.558 75 HD23 LEU 10 HD23 LEU 10 38.309 29.884 23.640 76 H SER 11 H SER 11 39.731 26.469 24.934 77 HA SER 11 HA SER 11 39.574 24.209 26.798 78 HB2 SER 11 HB2 SER 11 41.470 24.508 25.142 79 HB3 SER 11 HB3 SER 11 42.063 25.809 26.203 80 HG SER 11 HG SER 11 41.614 23.071 26.775 81 H LYS 12 H LYS 12 40.085 24.235 28.967 82 HA LYS 12 HA LYS 12 39.308 26.387 30.616 83 HB2 LYS 12 HB2 LYS 12 40.274 25.111 32.452 84 HB3 LYS 12 HB3 LYS 12 39.395 24.076 31.332 85 HG2 LYS 12 HG2 LYS 12 41.694 23.500 30.271 86 HG3 LYS 12 HG3 LYS 12 42.413 24.338 31.644 87 HD2 LYS 12 HD2 LYS 12 42.419 22.029 32.186 88 HD3 LYS 12 HD3 LYS 12 41.123 22.745 33.164 89 HE2 LYS 12 HE2 LYS 12 39.454 21.997 31.477 90 HE3 LYS 12 HE3 LYS 12 40.751 21.314 30.483 91 HZ1 LYS 12 HZ1 LYS 12 41.238 19.775 32.312 92 HZ2 LYS 12 HZ2 LYS 12 39.984 20.410 33.204 93 HZ3 LYS 12 HZ3 LYS 12 39.694 19.617 31.829 94 H TYR 13 H TYR 13 42.586 25.676 29.437 95 HA TYR 13 HA TYR 13 43.954 27.574 31.067 96 HB2 TYR 13 HB2 TYR 13 44.822 26.597 28.330 97 HB3 TYR 13 HB3 TYR 13 45.844 27.109 29.666 98 HD1 TYR 13 HD1 TYR 13 45.747 25.685 31.857 99 HD2 TYR 13 HD2 TYR 13 44.307 24.320 28.027 100 HE1 TYR 13 HE1 TYR 13 45.811 23.325 32.668 101 HE2 TYR 13 HE2 TYR 13 44.327 21.974 28.849 102 HH TYR 13 HH TYR 13 45.889 21.089 31.826 103 H GLU 14 H GLU 14 41.995 28.119 28.277 104 HA GLU 14 HA GLU 14 43.013 30.904 28.008 105 HB2 GLU 14 HB2 GLU 14 42.476 30.854 25.660 106 HB3 GLU 14 HB3 GLU 14 43.615 29.580 26.080 107 HG2 GLU 14 HG2 GLU 14 41.591 28.000 26.197 108 HG3 GLU 14 HG3 GLU 14 40.661 29.278 25.410 109 H SER 15 H SER 15 40.676 29.436 29.564 110 HA SER 15 HA SER 15 38.420 31.161 28.736 111 HB2 SER 15 HB2 SER 15 37.922 28.860 29.410 112 HB3 SER 15 HB3 SER 15 38.645 29.166 31.003 113 HG SER 15 HG SER 15 36.525 29.495 31.250 114 H ILE 16 H ILE 16 38.008 33.061 29.586 115 HA ILE 16 HA ILE 16 38.969 33.943 32.216 116 HB ILE 16 HB ILE 16 40.859 34.433 30.825 117 HG12 ILE 16 HG12 ILE 16 39.358 37.059 31.138 118 HG13 ILE 16 HG13 ILE 16 40.001 36.146 32.507 119 HG21 ILE 16 HG21 ILE 16 40.705 35.897 28.810 120 HG22 ILE 16 HG22 ILE 16 39.890 34.363 28.587 121 HG23 ILE 16 HG23 ILE 16 38.935 35.827 28.914 122 HD11 ILE 16 HD11 ILE 16 42.292 36.312 31.537 123 HD12 ILE 16 HD12 ILE 16 41.638 37.355 30.249 124 HD13 ILE 16 HD13 ILE 16 41.565 37.881 31.936 125 H ASP 17 H ASP 17 37.810 35.749 33.022 126 HA ASP 17 HA ASP 17 35.093 35.794 32.040 127 HB2 ASP 17 HB2 ASP 17 36.438 37.116 34.384 128 HB3 ASP 17 HB3 ASP 17 34.783 37.499 33.925 129 H GLU 18 H GLU 18 33.803 37.374 31.391 130 HA GLU 18 HA GLU 18 34.861 38.949 29.290 131 HB2 GLU 18 HB2 GLU 18 32.121 39.051 30.640 132 HB3 GLU 18 HB3 GLU 18 32.537 39.740 29.076 133 HG2 GLU 18 HG2 GLU 18 31.436 37.722 28.583 134 HG3 GLU 18 HG3 GLU 18 33.139 37.436 28.248 135 H ASP 19 H ASP 19 33.822 39.933 32.572 136 HA ASP 19 HA ASP 19 34.302 42.709 32.299 137 HB2 ASP 19 HB2 ASP 19 34.601 40.991 34.783 138 HB3 ASP 19 HB3 ASP 19 34.389 42.735 34.740 139 H GLU 20 H GLU 20 36.679 40.097 32.616 140 HA GLU 20 HA GLU 20 38.898 41.862 33.443 141 HB2 GLU 20 HB2 GLU 20 39.033 39.094 32.238 142 HB3 GLU 20 HB3 GLU 20 40.307 39.904 33.108 143 HG2 GLU 20 HG2 GLU 20 37.694 39.273 34.541 144 HG3 GLU 20 HG3 GLU 20 38.820 37.989 34.162 145 H LEU 21 H LEU 21 37.502 40.584 30.451 146 HA LEU 21 HA LEU 21 39.578 41.675 28.683 147 HB2 LEU 21 HB2 LEU 21 36.883 40.357 28.352 148 HB3 LEU 21 HB3 LEU 21 37.464 41.393 27.053 149 HG LEU 21 HG LEU 21 39.497 40.087 26.796 150 HD11 LEU 21 HD11 LEU 21 38.384 38.273 28.981 151 HD12 LEU 21 HD12 LEU 21 39.780 37.914 27.928 152 HD13 LEU 21 HD13 LEU 21 39.866 39.246 29.076 153 HD21 LEU 21 HD21 LEU 21 37.465 39.457 25.544 154 HD22 LEU 21 HD22 LEU 21 38.474 38.045 25.901 155 HD23 LEU 21 HD23 LEU 21 37.001 38.345 26.858 156 H LEU 22 H LEU 22 36.365 42.787 29.859 157 HA LEU 22 HA LEU 22 36.376 45.305 28.524 158 HB2 LEU 22 HB2 LEU 22 34.435 44.287 29.664 159 HB3 LEU 22 HB3 LEU 22 35.233 44.482 31.218 160 HG LEU 22 HG LEU 22 35.117 46.941 31.017 161 HD11 LEU 22 HD11 LEU 22 35.142 47.229 28.583 162 HD12 LEU 22 HD12 LEU 22 33.596 46.357 28.432 163 HD13 LEU 22 HD13 LEU 22 33.668 47.936 29.246 164 HD21 LEU 22 HD21 LEU 22 32.463 45.514 30.556 165 HD22 LEU 22 HD22 LEU 22 33.310 45.680 32.116 166 HD23 LEU 22 HD23 LEU 22 32.675 47.115 31.297 167 H ALA 23 H ALA 23 37.953 44.313 31.573 168 HA ALA 23 HA ALA 23 38.993 46.882 32.284 169 HB1 ALA 23 HB1 ALA 23 40.055 44.107 32.971 170 HB2 ALA 23 HB2 ALA 23 40.399 45.614 33.831 171 HB3 ALA 23 HB3 ALA 23 38.759 44.950 33.845 172 H SER 24 H SER 24 39.893 45.047 29.554 173 HA SER 24 HA SER 24 42.715 45.927 29.547 174 HB2 SER 24 HB2 SER 24 42.963 44.718 27.544 175 HB3 SER 24 HB3 SER 24 41.948 43.712 28.584 176 HG SER 24 HG SER 24 40.143 44.362 27.399 177 H LEU 25 H LEU 25 39.731 47.404 28.664 178 HA LEU 25 HA LEU 25 40.776 48.666 26.228 179 HB2 LEU 25 HB2 LEU 25 38.077 48.956 27.580 180 HB3 LEU 25 HB3 LEU 25 38.518 49.553 25.980 181 HG LEU 25 HG LEU 25 38.277 46.633 26.841 182 HD11 LEU 25 HD11 LEU 25 36.747 48.336 24.828 183 HD12 LEU 25 HD12 LEU 25 36.476 46.607 25.155 184 HD13 LEU 25 HD13 LEU 25 36.158 47.805 26.416 185 HD21 LEU 25 HD21 LEU 25 38.699 46.096 24.442 186 HD22 LEU 25 HD22 LEU 25 39.172 47.796 24.169 187 HD23 LEU 25 HD23 LEU 25 40.119 46.746 25.255 188 H SER 26 H SER 26 41.261 50.703 25.829 189 HA SER 26 HA SER 26 41.581 52.596 28.082 190 HB2 SER 26 HB2 SER 26 42.883 53.903 26.538 191 HB3 SER 26 HB3 SER 26 43.426 52.222 26.481 192 HG SER 26 HG SER 26 42.293 51.925 24.552 193 H ALA 27 H ALA 27 40.994 54.954 27.591 194 HA ALA 27 HA ALA 27 38.210 55.063 27.762 195 HB1 ALA 27 HB1 ALA 27 39.755 56.647 28.825 196 HB2 ALA 27 HB2 ALA 27 40.196 57.312 27.230 197 HB3 ALA 27 HB3 ALA 27 38.541 57.496 27.850 198 H GLU 28 H GLU 28 40.188 56.042 24.883 199 HA GLU 28 HA GLU 28 37.817 56.983 23.458 200 HB2 GLU 28 HB2 GLU 28 40.585 56.371 22.360 201 HB3 GLU 28 HB3 GLU 28 39.327 57.341 21.606 202 HG2 GLU 28 HG2 GLU 28 40.945 58.020 24.095 203 HG3 GLU 28 HG3 GLU 28 40.960 58.833 22.539 204 H GLU 29 H GLU 29 39.438 53.865 23.734 205 HA GLU 29 HA GLU 29 38.099 52.589 21.481 206 HB2 GLU 29 HB2 GLU 29 39.100 51.392 24.101 207 HB3 GLU 29 HB3 GLU 29 38.544 50.489 22.704 208 HG2 GLU 29 HG2 GLU 29 40.401 51.293 21.355 209 HG3 GLU 29 HG3 GLU 29 40.967 52.320 22.685 210 H LEU 30 H LEU 30 37.263 53.104 24.927 211 HA LEU 30 HA LEU 30 34.807 51.579 24.850 212 HB2 LEU 30 HB2 LEU 30 35.816 53.791 26.672 213 HB3 LEU 30 HB3 LEU 30 34.310 52.935 26.954 214 HG LEU 30 HG LEU 30 36.934 51.406 26.682 215 HD11 LEU 30 HD11 LEU 30 37.331 53.036 28.423 216 HD12 LEU 30 HD12 LEU 30 35.772 52.675 29.189 217 HD13 LEU 30 HD13 LEU 30 37.079 51.454 29.160 218 HD21 LEU 30 HD21 LEU 30 35.746 49.760 28.075 219 HD22 LEU 30 HD22 LEU 30 34.315 50.811 28.130 220 HD23 LEU 30 HD23 LEU 30 34.842 50.095 26.592 221 H LYS 31 H LYS 31 35.503 55.050 24.346 222 HA LYS 31 HA LYS 31 32.840 55.953 23.837 223 HB2 LYS 31 HB2 LYS 31 34.753 57.430 24.233 224 HB3 LYS 31 HB3 LYS 31 35.537 56.866 22.755 225 HG2 LYS 31 HG2 LYS 31 33.656 57.822 21.401 226 HG3 LYS 31 HG3 LYS 31 32.940 58.468 22.884 227 HD2 LYS 31 HD2 LYS 31 35.753 59.085 21.874 228 HD3 LYS 31 HD3 LYS 31 34.338 60.078 21.501 229 HE2 LYS 31 HE2 LYS 31 34.036 60.743 23.761 230 HE3 LYS 31 HE3 LYS 31 35.115 59.480 24.378 231 HZ1 LYS 31 HZ1 LYS 31 36.042 61.701 22.660 232 HZ2 LYS 31 HZ2 LYS 31 36.214 61.644 24.313 233 HZ3 LYS 31 HZ3 LYS 31 36.959 60.547 23.348 234 H GLU 32 H GLU 32 35.193 54.465 21.600 235 HA GLU 32 HA GLU 32 33.414 54.650 19.297 236 HB2 GLU 32 HB2 GLU 32 35.984 54.468 19.314 237 HB3 GLU 32 HB3 GLU 32 35.762 52.764 19.689 238 HG2 GLU 32 HG2 GLU 32 36.017 52.777 17.368 239 HG3 GLU 32 HG3 GLU 32 34.264 52.694 17.536 240 H LEU 33 H LEU 33 34.261 52.003 21.588 241 HA LEU 33 HA LEU 33 32.707 49.970 20.431 242 HB2 LEU 33 HB2 LEU 33 34.437 49.580 22.107 243 HB3 LEU 33 HB3 LEU 33 33.499 50.456 23.318 244 HG LEU 33 HG LEU 33 31.743 48.699 23.256 245 HD11 LEU 33 HD11 LEU 33 32.238 46.531 22.142 246 HD12 LEU 33 HD12 LEU 33 32.016 47.831 20.970 247 HD13 LEU 33 HD13 LEU 33 33.658 47.263 21.354 248 HD21 LEU 33 HD21 LEU 33 33.023 46.973 24.396 249 HD22 LEU 33 HD22 LEU 33 34.537 47.598 23.705 250 HD23 LEU 33 HD23 LEU 33 33.610 48.576 24.864 251 H GLU 34 H GLU 34 31.662 52.530 22.703 252 HA GLU 34 HA GLU 34 29.148 51.488 23.381 253 HB2 GLU 34 HB2 GLU 34 30.308 53.449 24.366 254 HB3 GLU 34 HB3 GLU 34 29.861 54.419 22.959 255 HG2 GLU 34 HG2 GLU 34 27.505 54.222 23.474 256 HG3 GLU 34 HG3 GLU 34 27.813 52.973 24.689 257 H ARG 35 H ARG 35 30.002 53.249 20.393 258 HA ARG 35 HA ARG 35 27.224 52.896 19.375 259 HB2 ARG 35 HB2 ARG 35 27.793 54.310 17.546 260 HB3 ARG 35 HB3 ARG 35 28.222 55.095 19.064 261 HG2 ARG 35 HG2 ARG 35 30.608 54.591 18.695 262 HG3 ARG 35 HG3 ARG 35 30.204 53.692 17.214 263 HD2 ARG 35 HD2 ARG 35 29.134 55.809 16.335 264 HD3 ARG 35 HD3 ARG 35 29.800 56.669 17.738 265 HE ARG 35 HE ARG 35 32.068 55.564 16.776 266 HH11 ARG 35 HH11 ARG 35 29.609 57.238 14.882 267 HH12 ARG 35 HH12 ARG 35 30.689 57.397 13.520 268 HH21 ARG 35 HH21 ARG 35 33.337 55.952 15.253 269 HH22 ARG 35 HH22 ARG 35 32.883 56.833 13.790 270 H GLU 36 H GLU 36 29.935 51.007 19.461 271 HA GLU 36 HA GLU 36 29.114 49.503 17.018 272 HB2 GLU 36 HB2 GLU 36 31.589 49.244 18.745 273 HB3 GLU 36 HB3 GLU 36 31.215 48.220 17.373 274 HG2 GLU 36 HG2 GLU 36 31.608 51.236 17.139 275 HG3 GLU 36 HG3 GLU 36 32.883 50.040 16.923 276 H LEU 37 H LEU 37 28.592 49.442 20.361 277 HA LEU 37 HA LEU 37 27.998 46.656 20.656 278 HB2 LEU 37 HB2 LEU 37 28.000 49.050 22.236 279 HB3 LEU 37 HB3 LEU 37 26.366 48.428 22.341 280 HG LEU 37 HG LEU 37 28.880 46.778 22.898 281 HD11 LEU 37 HD11 LEU 37 28.300 47.058 25.279 282 HD12 LEU 37 HD12 LEU 37 28.643 48.616 24.508 283 HD13 LEU 37 HD13 LEU 37 26.961 48.146 24.832 284 HD21 LEU 37 HD21 LEU 37 26.943 45.374 22.308 285 HD22 LEU 37 HD22 LEU 37 27.265 45.255 24.041 286 HD23 LEU 37 HD23 LEU 37 25.924 46.257 23.460 287 H GLU 38 H GLU 38 26.100 49.330 19.320 288 HA GLU 38 HA GLU 38 23.511 48.098 19.512 289 HB2 GLU 38 HB2 GLU 38 24.520 50.195 17.545 290 HB3 GLU 38 HB3 GLU 38 22.854 49.727 17.793 291 HG2 GLU 38 HG2 GLU 38 23.534 50.274 20.388 292 HG3 GLU 38 HG3 GLU 38 24.623 51.384 19.525 293 H ASP 39 H ASP 39 26.062 47.765 17.049 294 HA ASP 39 HA ASP 39 24.654 46.355 15.084 295 HB2 ASP 39 HB2 ASP 39 27.480 45.715 15.972 296 HB3 ASP 39 HB3 ASP 39 26.783 45.481 14.383 297 H ILE 40 H ILE 40 25.352 45.317 18.297 298 HA ILE 40 HA ILE 40 24.868 42.449 17.686 299 HB ILE 40 HB ILE 40 25.757 43.408 20.396 300 HG12 ILE 40 HG12 ILE 40 27.674 43.107 18.032 301 HG13 ILE 40 HG13 ILE 40 27.345 44.580 18.941 302 HG21 ILE 40 HG21 ILE 40 26.825 41.191 20.470 303 HG22 ILE 40 HG22 ILE 40 25.174 40.992 19.947 304 HG23 ILE 40 HG23 ILE 40 26.468 40.930 18.742 305 HD11 ILE 40 HD11 ILE 40 28.258 43.474 21.009 306 HD12 ILE 40 HD12 ILE 40 28.820 42.150 19.952 307 HD13 ILE 40 HD13 ILE 40 29.428 43.789 19.709 308 H GLU 41 H GLU 41 23.082 45.127 18.558 309 HA GLU 41 HA GLU 41 21.749 44.390 20.907 310 HB2 GLU 41 HB2 GLU 41 21.859 46.645 19.814 311 HB3 GLU 41 HB3 GLU 41 20.587 46.128 18.721 312 HG2 GLU 41 HG2 GLU 41 19.088 45.740 20.679 313 HG3 GLU 41 HG3 GLU 41 20.439 46.184 21.772 314 H1 GLY 0 H1 GLY 0 27.883 55.242 27.550 315 H2 GLY 0 H2 GLY 0 27.696 56.688 28.300 316 H3 GLY 0 H3 GLY 0 27.242 55.307 29.088 317 HA2 GLY 0 HA2 GLY 0 29.999 55.933 28.305 318 HA3 GLY 0 HA3 GLY 0 29.318 56.158 29.936 319 H MET 1 H MET 1 31.131 54.688 30.500 320 HA MET 1 HA MET 1 31.219 51.913 29.929 321 HB2 MET 1 HB2 MET 1 32.997 53.035 31.116 322 HB3 MET 1 HB3 MET 1 31.905 53.519 32.415 323 HG2 MET 1 HG2 MET 1 33.300 51.699 33.172 324 HG3 MET 1 HG3 MET 1 31.626 51.188 33.114 325 HE1 MET 1 HE1 MET 1 35.133 49.599 30.574 326 HE2 MET 1 HE2 MET 1 34.786 51.337 30.687 327 HE3 MET 1 HE3 MET 1 35.241 50.424 32.143 328 H ASP 2 H ASP 2 28.983 53.692 31.944 329 HA ASP 2 HA ASP 2 27.699 51.608 33.409 330 HB2 ASP 2 HB2 ASP 2 25.702 53.282 33.154 331 HB3 ASP 2 HB3 ASP 2 27.116 53.706 34.100 332 H ALA 3 H ALA 3 26.743 53.052 30.262 333 HA ALA 3 HA ALA 3 24.680 51.157 29.692 334 HB1 ALA 3 HB1 ALA 3 26.350 52.866 27.787 335 HB2 ALA 3 HB2 ALA 3 24.788 52.107 27.422 336 HB3 ALA 3 HB3 ALA 3 24.878 53.393 28.639 337 H ILE 4 H ILE 4 28.141 51.185 28.759 338 HA ILE 4 HA ILE 4 28.105 48.835 27.136 339 HB ILE 4 HB ILE 4 30.341 50.038 28.808 340 HG12 ILE 4 HG12 ILE 4 29.831 50.262 25.803 341 HG13 ILE 4 HG13 ILE 4 29.350 51.486 26.967 342 HG21 ILE 4 HG21 ILE 4 30.876 47.674 28.317 343 HG22 ILE 4 HG22 ILE 4 30.531 47.944 26.595 344 HG23 ILE 4 HG23 ILE 4 31.907 48.738 27.384 345 HD11 ILE 4 HD11 ILE 4 31.772 51.709 27.667 346 HD12 ILE 4 HD12 ILE 4 32.191 50.679 26.274 347 HD13 ILE 4 HD13 ILE 4 31.387 52.231 26.022 348 H LYS 5 H LYS 5 28.869 49.157 30.651 349 HA LYS 5 HA LYS 5 29.163 46.336 31.070 350 HB2 LYS 5 HB2 LYS 5 30.084 48.182 32.511 351 HB3 LYS 5 HB3 LYS 5 28.453 48.462 33.136 352 HG2 LYS 5 HG2 LYS 5 28.405 46.113 33.997 353 HG3 LYS 5 HG3 LYS 5 30.025 45.839 33.322 354 HD2 LYS 5 HD2 LYS 5 30.927 47.632 34.815 355 HD3 LYS 5 HD3 LYS 5 29.300 47.894 35.456 356 HE2 LYS 5 HE2 LYS 5 30.433 46.567 37.055 357 HE3 LYS 5 HE3 LYS 5 29.270 45.502 36.255 358 HZ1 LYS 5 HZ1 LYS 5 32.174 45.651 35.561 359 HZ2 LYS 5 HZ2 LYS 5 31.556 44.547 36.554 360 HZ3 LYS 5 HZ3 LYS 5 31.120 44.523 34.994 361 H LYS 6 H LYS 6 26.263 48.446 31.403 362 HA LYS 6 HA LYS 6 24.533 46.353 32.393 363 HB2 LYS 6 HB2 LYS 6 24.123 49.081 31.197 364 HB3 LYS 6 HB3 LYS 6 22.796 47.943 31.049 365 HG2 LYS 6 HG2 LYS 6 22.384 49.164 33.011 366 HG3 LYS 6 HG3 LYS 6 22.817 47.531 33.488 367 HD2 LYS 6 HD2 LYS 6 25.125 48.382 34.087 368 HD3 LYS 6 HD3 LYS 6 24.563 50.026 33.687 369 HE2 LYS 6 HE2 LYS 6 22.713 49.767 35.358 370 HE3 LYS 6 HE3 LYS 6 23.334 48.167 35.771 371 HZ1 LYS 6 HZ1 LYS 6 24.685 50.772 36.285 372 HZ2 LYS 6 HZ2 LYS 6 24.165 49.663 37.371 373 HZ3 LYS 6 HZ3 LYS 6 25.441 49.307 36.472 374 H LYS 7 H LYS 7 25.006 47.451 28.967 375 HA LYS 7 HA LYS 7 23.370 45.346 27.874 376 HB2 LYS 7 HB2 LYS 7 25.494 47.186 26.742 377 HB3 LYS 7 HB3 LYS 7 24.844 45.865 25.767 378 HG2 LYS 7 HG2 LYS 7 22.587 46.667 25.935 379 HG3 LYS 7 HG3 LYS 7 23.038 47.907 27.116 380 HD2 LYS 7 HD2 LYS 7 24.283 49.158 25.515 381 HD3 LYS 7 HD3 LYS 7 24.233 47.863 24.317 382 HE2 LYS 7 HE2 LYS 7 21.734 49.330 25.292 383 HE3 LYS 7 HE3 LYS 7 22.702 49.851 23.915 384 HZ1 LYS 7 HZ1 LYS 7 21.144 47.340 24.103 385 HZ2 LYS 7 HZ2 LYS 7 21.027 48.499 22.977 386 HZ3 LYS 7 HZ3 LYS 7 22.340 47.547 22.987 387 H MET 8 H MET 8 26.871 45.315 28.664 388 HA MET 8 HA MET 8 27.305 42.640 27.707 389 HB2 MET 8 HB2 MET 8 29.129 44.223 28.299 390 HB3 MET 8 HB3 MET 8 28.667 44.108 30.001 391 HG2 MET 8 HG2 MET 8 29.150 41.638 29.922 392 HG3 MET 8 HG3 MET 8 29.637 41.826 28.239 393 HE1 MET 8 HE1 MET 8 31.988 43.249 31.960 394 HE2 MET 8 HE2 MET 8 30.347 43.840 31.627 395 HE3 MET 8 HE3 MET 8 30.624 42.115 31.980 396 H GLN 9 H GLN 9 26.291 43.805 30.968 397 HA GLN 9 HA GLN 9 26.139 41.223 32.150 398 HB2 GLN 9 HB2 GLN 9 26.277 43.217 33.460 399 HB3 GLN 9 HB3 GLN 9 24.753 43.850 32.825 400 HG2 GLN 9 HG2 GLN 9 23.448 42.221 33.966 401 HG3 GLN 9 HG3 GLN 9 24.850 41.203 34.316 402 HE21 GLN 9 HE21 GLN 9 23.913 43.041 37.433 403 HE22 GLN 9 HE22 GLN 9 22.978 42.044 36.329 404 H MET 10 H MET 10 23.653 43.018 30.266 405 HA MET 10 HA MET 10 21.487 41.226 30.675 406 HB2 MET 10 HB2 MET 10 22.286 42.877 28.250 407 HB3 MET 10 HB3 MET 10 20.759 41.997 28.366 408 HG2 MET 10 HG2 MET 10 19.968 43.332 30.150 409 HG3 MET 10 HG3 MET 10 21.566 43.967 30.514 410 HE1 MET 10 HE1 MET 10 18.475 44.132 28.112 411 HE2 MET 10 HE2 MET 10 18.986 45.336 26.910 412 HE3 MET 10 HE3 MET 10 19.745 43.733 26.929 413 H LEU 11 H LEU 11 24.148 40.966 28.242 414 HA LEU 11 HA LEU 11 23.154 38.512 27.092 415 HB2 LEU 11 HB2 LEU 11 25.971 39.667 27.205 416 HB3 LEU 11 HB3 LEU 11 25.504 38.264 26.249 417 HG LEU 11 HG LEU 11 24.341 41.050 25.841 418 HD11 LEU 11 HD11 LEU 11 25.787 41.132 23.855 419 HD12 LEU 11 HD12 LEU 11 26.759 40.947 25.324 420 HD13 LEU 11 HD13 LEU 11 26.477 39.547 24.263 421 HD21 LEU 11 HD21 LEU 11 22.833 39.273 25.021 422 HD22 LEU 11 HD22 LEU 11 23.595 40.103 23.661 423 HD23 LEU 11 HD23 LEU 11 24.180 38.501 24.163 424 H LYS 12 H LYS 12 25.425 39.097 29.805 425 HA LYS 12 HA LYS 12 26.010 36.294 30.285 426 HB2 LYS 12 HB2 LYS 12 26.097 38.646 32.230 427 HB3 LYS 12 HB3 LYS 12 26.764 37.039 32.527 428 HG2 LYS 12 HG2 LYS 12 28.352 37.352 30.612 429 HG3 LYS 12 HG3 LYS 12 27.696 38.968 30.365 430 HD2 LYS 12 HD2 LYS 12 29.604 39.428 31.600 431 HD3 LYS 12 HD3 LYS 12 28.356 39.418 32.853 432 HE2 LYS 12 HE2 LYS 12 28.992 36.975 33.288 433 HE3 LYS 12 HE3 LYS 12 30.329 37.196 32.156 434 HZ1 LYS 12 HZ1 LYS 12 31.119 37.555 34.397 435 HZ2 LYS 12 HZ2 LYS 12 31.110 39.049 33.691 436 HZ3 LYS 12 HZ3 LYS 12 29.925 38.591 34.731 437 H LEU 13 H LEU 13 23.481 38.452 31.609 438 HA LEU 13 HA LEU 13 22.382 36.549 33.445 439 HB2 LEU 13 HB2 LEU 13 21.241 38.996 32.050 440 HB3 LEU 13 HB3 LEU 13 20.283 38.038 33.169 441 HG LEU 13 HG LEU 13 22.921 39.347 33.966 442 HD11 LEU 13 HD11 LEU 13 21.491 41.040 35.079 443 HD12 LEU 13 HD12 LEU 13 21.267 41.054 33.319 444 HD13 LEU 13 HD13 LEU 13 20.051 40.291 34.367 445 HD21 LEU 13 HD21 LEU 13 22.277 37.477 35.434 446 HD22 LEU 13 HD22 LEU 13 22.056 39.017 36.264 447 HD23 LEU 13 HD23 LEU 13 20.645 38.158 35.611 448 H ASP 14 H ASP 14 21.345 37.293 30.047 449 HA ASP 14 HA ASP 14 19.313 35.294 29.938 450 HB2 ASP 14 HB2 ASP 14 21.126 36.476 27.811 451 HB3 ASP 14 HB3 ASP 14 19.876 35.293 27.438 452 H ASN 15 H ASN 15 22.835 34.988 29.201 453 HA ASN 15 HA ASN 15 22.836 32.283 28.402 454 HB2 ASN 15 HB2 ASN 15 24.706 34.102 28.374 455 HB3 ASN 15 HB3 ASN 15 25.066 33.603 30.014 456 HD21 ASN 15 HD21 ASN 15 26.420 31.489 26.848 457 HD22 ASN 15 HD22 ASN 15 25.298 32.843 26.662 458 H TYR 16 H TYR 16 23.352 33.616 31.703 459 HA TYR 16 HA TYR 16 23.599 31.029 32.951 460 HB2 TYR 16 HB2 TYR 16 22.937 33.734 34.161 461 HB3 TYR 16 HB3 TYR 16 23.468 32.313 35.047 462 HD1 TYR 16 HD1 TYR 16 24.770 34.731 35.599 463 HD2 TYR 16 HD2 TYR 16 25.618 31.994 32.364 464 HE1 TYR 16 HE1 TYR 16 27.128 35.536 35.520 465 HE2 TYR 16 HE2 TYR 16 27.941 32.828 32.269 466 HH TYR 16 HH TYR 16 29.399 34.543 33.007 467 H HIS 17 H HIS 17 20.776 33.207 32.507 468 HA HIS 17 HA HIS 17 19.033 31.667 34.228 469 HB2 HIS 17 HB2 HIS 17 18.732 34.076 33.620 470 HB3 HIS 17 HB3 HIS 17 18.275 33.573 31.990 471 HD2 HIS 17 HD2 HIS 17 15.692 33.489 31.723 472 HE1 HIS 17 HE1 HIS 17 14.552 32.424 35.687 473 HE2 HIS 17 HE2 HIS 17 13.684 32.964 33.359 474 H LEU 18 H LEU 18 19.640 31.602 30.687 475 HA LEU 18 HA LEU 18 17.798 29.451 30.138 476 HB2 LEU 18 HB2 LEU 18 20.301 30.428 28.720 477 HB3 LEU 18 HB3 LEU 18 19.259 29.156 28.088 478 HG LEU 18 HG LEU 18 18.201 31.950 28.681 479 HD11 LEU 18 HD11 LEU 18 19.211 30.838 26.023 480 HD12 LEU 18 HD12 LEU 18 18.450 32.419 26.290 481 HD13 LEU 18 HD13 LEU 18 20.030 32.076 27.005 482 HD21 LEU 18 HD21 LEU 18 16.430 31.300 27.105 483 HD22 LEU 18 HD22 LEU 18 17.178 29.707 26.886 484 HD23 LEU 18 HD23 LEU 18 16.488 30.169 28.462 485 H GLU 19 H GLU 19 21.328 29.387 31.031 486 HA GLU 19 HA GLU 19 21.520 26.532 30.902 487 HB2 GLU 19 HB2 GLU 19 23.475 27.949 30.962 488 HB3 GLU 19 HB3 GLU 19 23.077 28.533 32.587 489 HG2 GLU 19 HG2 GLU 19 23.505 26.393 33.579 490 HG3 GLU 19 HG3 GLU 19 23.501 25.581 32.012 491 H ASN 20 H ASN 20 20.444 28.629 33.583 492 HA ASN 20 HA ASN 20 19.943 26.565 35.504 493 HB2 ASN 20 HB2 ASN 20 19.935 28.699 36.394 494 HB3 ASN 20 HB3 ASN 20 19.113 29.410 35.023 495 HD21 ASN 20 HD21 ASN 20 16.011 29.405 36.563 496 HD22 ASN 20 HD22 ASN 20 16.947 29.799 35.127 497 H GLU 21 H GLU 21 17.835 27.824 32.864 498 HA GLU 21 HA GLU 21 15.613 26.106 33.564 499 HB2 GLU 21 HB2 GLU 21 15.362 28.231 32.356 500 HB3 GLU 21 HB3 GLU 21 16.288 27.593 30.999 501 HG2 GLU 21 HG2 GLU 21 13.887 27.583 30.536 502 HG3 GLU 21 HG3 GLU 21 14.568 25.965 30.494 503 H VAL 22 H VAL 22 18.315 25.750 31.217 504 HA VAL 22 HA VAL 22 17.597 23.198 30.155 505 HB VAL 22 HB VAL 22 20.286 24.512 30.676 506 HG11 VAL 22 HG11 VAL 22 20.805 22.157 30.783 507 HG12 VAL 22 HG12 VAL 22 19.803 21.825 29.345 508 HG13 VAL 22 HG13 VAL 22 21.302 22.769 29.205 509 HG21 VAL 22 HG21 VAL 22 20.344 24.688 28.220 510 HG22 VAL 22 HG22 VAL 22 18.773 23.861 28.107 511 HG23 VAL 22 HG23 VAL 22 18.897 25.456 28.869 512 H ALA 23 H ALA 23 19.371 23.980 33.197 513 HA ALA 23 HA ALA 23 19.656 21.256 34.023 514 HB1 ALA 23 HB1 ALA 23 20.132 22.235 36.232 515 HB2 ALA 23 HB2 ALA 23 20.982 23.101 34.935 516 HB3 ALA 23 HB3 ALA 23 19.534 23.810 35.671 517 H ARG 24 H ARG 24 16.916 23.544 34.533 518 HA ARG 24 HA ARG 24 15.383 21.786 36.246 519 HB2 ARG 24 HB2 ARG 24 14.928 24.243 35.931 520 HB3 ARG 24 HB3 ARG 24 14.331 23.904 34.303 521 HG2 ARG 24 HG2 ARG 24 12.555 22.425 35.273 522 HG3 ARG 24 HG3 ARG 24 13.196 22.753 36.886 523 HD2 ARG 24 HD2 ARG 24 11.340 24.165 36.691 524 HD3 ARG 24 HD3 ARG 24 12.723 25.223 36.458 525 HE ARG 24 HE ARG 24 12.254 25.335 34.076 526 HH11 ARG 24 HH11 ARG 24 9.521 23.985 35.928 527 HH12 ARG 24 HH12 ARG 24 8.426 24.391 34.637 528 HH21 ARG 24 HH21 ARG 24 10.837 25.574 32.526 529 HH22 ARG 24 HH22 ARG 24 9.099 25.520 32.854 530 H LEU 25 H LEU 25 15.248 22.296 32.701 531 HA LEU 25 HA LEU 25 13.298 20.282 32.201 532 HB2 LEU 25 HB2 LEU 25 15.483 21.431 30.428 533 HB3 LEU 25 HB3 LEU 25 14.161 20.417 29.845 534 HG LEU 25 HG LEU 25 13.633 23.028 31.319 535 HD11 LEU 25 HD11 LEU 25 15.026 23.495 29.327 536 HD12 LEU 25 HD12 LEU 25 13.846 22.627 28.309 537 HD13 LEU 25 HD13 LEU 25 13.379 24.111 29.172 538 HD21 LEU 25 HD21 LEU 25 11.482 22.916 30.152 539 HD22 LEU 25 HD22 LEU 25 11.952 21.387 29.368 540 HD23 LEU 25 HD23 LEU 25 11.717 21.470 31.132 541 H LYS 26 H LYS 26 16.873 19.972 32.326 542 HA LYS 26 HA LYS 26 17.063 17.231 31.553 543 HB2 LYS 26 HB2 LYS 26 18.713 18.998 33.392 544 HB3 LYS 26 HB3 LYS 26 19.112 17.293 33.161 545 HG2 LYS 26 HG2 LYS 26 19.401 17.582 30.772 546 HG3 LYS 26 HG3 LYS 26 18.877 19.268 30.852 547 HD2 LYS 26 HD2 LYS 26 20.809 19.785 32.353 548 HD3 LYS 26 HD3 LYS 26 21.330 18.089 32.236 549 HE2 LYS 26 HE2 LYS 26 21.503 18.366 29.743 550 HE3 LYS 26 HE3 LYS 26 21.082 20.068 29.924 551 HZ1 LYS 26 HZ1 LYS 26 23.107 20.300 31.346 552 HZ2 LYS 26 HZ2 LYS 26 23.464 18.741 31.094 553 HZ3 LYS 26 HZ3 LYS 26 23.457 19.812 29.817 554 H LYS 27 H LYS 27 15.971 18.539 34.684 555 HA LYS 27 HA LYS 27 16.014 15.967 36.032 556 HB2 LYS 27 HB2 LYS 27 15.871 18.224 37.190 557 HB3 LYS 27 HB3 LYS 27 14.195 18.335 36.635 558 HG2 LYS 27 HG2 LYS 27 13.803 16.066 37.809 559 HG3 LYS 27 HG3 LYS 27 15.408 16.278 38.525 560 HD2 LYS 27 HD2 LYS 27 14.615 18.447 39.521 561 HD3 LYS 27 HD3 LYS 27 13.010 18.145 38.813 562 HE2 LYS 27 HE2 LYS 27 13.038 15.899 40.061 563 HE3 LYS 27 HE3 LYS 27 14.464 16.489 40.922 564 HZ1 LYS 27 HZ1 LYS 27 11.759 17.694 40.912 565 HZ2 LYS 27 HZ2 LYS 27 12.472 16.959 42.197 566 HZ3 LYS 27 HZ3 LYS 27 13.056 18.405 41.636 567 H LEU 28 H LEU 28 13.406 17.793 34.393 568 HA LEU 28 HA LEU 28 11.351 15.836 34.734 569 HB2 LEU 28 HB2 LEU 28 11.755 18.139 32.782 570 HB3 LEU 28 HB3 LEU 28 10.398 17.034 32.635 571 HG LEU 28 HG LEU 28 9.672 17.580 34.954 572 HD11 LEU 28 HD11 LEU 28 11.730 18.484 35.947 573 HD12 LEU 28 HD12 LEU 28 11.754 19.798 34.741 574 HD13 LEU 28 HD13 LEU 28 10.465 19.708 35.958 575 HD21 LEU 28 HD21 LEU 28 8.713 19.761 34.327 576 HD22 LEU 28 HD22 LEU 28 9.899 19.923 33.012 577 HD23 LEU 28 HD23 LEU 28 8.669 18.639 32.965 578 H VAL 29 H VAL 29 13.794 16.161 32.149 579 HA VAL 29 HA VAL 29 12.743 14.272 30.347 580 HB VAL 29 HB VAL 29 15.557 15.203 30.942 581 HG11 VAL 29 HG11 VAL 29 16.307 14.171 28.808 582 HG12 VAL 29 HG12 VAL 29 15.931 12.962 30.031 583 HG13 VAL 29 HG13 VAL 29 14.776 13.271 28.714 584 HG21 VAL 29 HG21 VAL 29 15.288 16.342 28.789 585 HG22 VAL 29 HG22 VAL 29 13.725 15.542 28.516 586 HG23 VAL 29 HG23 VAL 29 13.904 16.731 29.811 587 H GLY 30 H GLY 30 14.284 13.525 33.450 588 HA2 GLY 30 HA2 GLY 30 14.578 10.659 32.773 589 HA3 GLY 30 HA3 GLY 30 14.963 11.444 34.299 590 H GLU 31 H GLU 31 11.977 12.609 34.098 591 HA GLU 31 HA GLU 31 11.081 10.517 35.949 592 HB2 GLU 31 HB2 GLU 31 11.105 12.892 36.595 593 HB3 GLU 31 HB3 GLU 31 9.967 13.266 35.298 594 HG2 GLU 31 HG2 GLU 31 8.766 13.207 37.360 595 HG3 GLU 31 HG3 GLU 31 8.247 11.825 36.417 596 H ARG 32 H ARG 32 9.483 9.081 35.685 597 HA ARG 32 HA ARG 32 7.446 9.395 33.527 598 HB2 ARG 32 HB2 ARG 32 9.073 6.859 34.037 599 HB3 ARG 32 HB3 ARG 32 7.722 7.010 32.910 600 HG2 ARG 32 HG2 ARG 32 10.385 8.468 32.675 601 HG3 ARG 32 HG3 ARG 32 9.931 7.036 31.800 602 HD2 ARG 32 HD2 ARG 32 8.115 8.181 30.625 603 HD3 ARG 32 HD3 ARG 32 8.449 9.674 31.544 604 HE ARG 32 HE ARG 32 9.964 8.650 29.273 605 HH11 ARG 32 HH11 ARG 32 10.093 10.983 31.921 606 HH12 ARG 32 HH12 ARG 32 11.620 11.605 31.314 607 HH21 ARG 32 HH21 ARG 32 11.830 9.560 28.651 608 HH22 ARG 32 HH22 ARG 32 12.565 10.834 29.645 609 H1 GLY 0 H1 GLY 0 41.724 47.486 23.217 610 H2 GLY 0 H2 GLY 0 43.223 46.914 22.879 611 H3 GLY 0 H3 GLY 0 42.059 45.865 23.360 612 HA2 GLY 0 HA2 GLY 0 41.952 47.467 20.887 613 HA3 GLY 0 HA3 GLY 0 42.459 45.765 20.959 614 H MET 1 H MET 1 39.724 47.981 21.283 615 HA MET 1 HA MET 1 37.894 46.097 22.237 616 HB2 MET 1 HB2 MET 1 36.162 47.669 21.831 617 HB3 MET 1 HB3 MET 1 37.597 48.502 22.387 618 HG2 MET 1 HG2 MET 1 36.682 49.867 20.733 619 HG3 MET 1 HG3 MET 1 38.063 49.112 19.945 620 HE1 MET 1 HE1 MET 1 35.160 49.821 17.252 621 HE2 MET 1 HE2 MET 1 35.210 50.658 18.816 622 HE3 MET 1 HE3 MET 1 36.714 50.392 17.899 623 H ASP 2 H ASP 2 38.961 46.094 18.906 624 HA ASP 2 HA ASP 2 36.500 45.216 17.751 625 HB2 ASP 2 HB2 ASP 2 37.663 44.736 15.815 626 HB3 ASP 2 HB3 ASP 2 38.598 46.042 16.533 627 H ALA 3 H ALA 3 39.160 43.388 19.249 628 HA ALA 3 HA ALA 3 38.083 40.771 18.910 629 HB1 ALA 3 HB1 ALA 3 40.420 41.257 19.522 630 HB2 ALA 3 HB2 ALA 3 39.892 41.934 21.081 631 HB3 ALA 3 HB3 ALA 3 39.665 40.205 20.738 632 H ILE 4 H ILE 4 37.279 43.315 21.238 633 HA ILE 4 HA ILE 4 35.694 41.569 22.991 634 HB ILE 4 HB ILE 4 36.227 44.543 22.893 635 HG12 ILE 4 HG12 ILE 4 36.884 44.163 25.254 636 HG13 ILE 4 HG13 ILE 4 36.484 42.456 25.107 637 HG21 ILE 4 HG21 ILE 4 34.702 44.834 24.842 638 HG22 ILE 4 HG22 ILE 4 33.835 44.472 23.359 639 HG23 ILE 4 HG23 ILE 4 34.074 43.196 24.576 640 HD11 ILE 4 HD11 ILE 4 38.361 42.092 23.606 641 HD12 ILE 4 HD12 ILE 4 38.649 43.846 23.472 642 HD13 ILE 4 HD13 ILE 4 38.934 43.004 25.008 643 H LYS 5 H LYS 5 34.959 43.930 20.345 644 HA LYS 5 HA LYS 5 32.140 43.526 20.295 645 HB2 LYS 5 HB2 LYS 5 33.481 45.224 18.956 646 HB3 LYS 5 HB3 LYS 5 33.923 43.920 17.847 647 HG2 LYS 5 HG2 LYS 5 31.459 43.530 17.420 648 HG3 LYS 5 HG3 LYS 5 31.105 44.909 18.473 649 HD2 LYS 5 HD2 LYS 5 32.408 46.385 16.931 650 HD3 LYS 5 HD3 LYS 5 32.669 45.002 15.853 651 HE2 LYS 5 HE2 LYS 5 30.267 44.735 15.508 652 HE3 LYS 5 HE3 LYS 5 29.904 45.995 16.690 653 HZ1 LYS 5 HZ1 LYS 5 30.793 47.654 15.197 654 HZ2 LYS 5 HZ2 LYS 5 31.368 46.505 14.146 655 HZ3 LYS 5 HZ3 LYS 5 29.764 46.770 14.366 656 H LYS 6 H LYS 6 34.685 41.658 18.624 657 HA LYS 6 HA LYS 6 33.033 39.597 17.552 658 HB2 LYS 6 HB2 LYS 6 35.493 40.142 17.070 659 HB3 LYS 6 HB3 LYS 6 35.897 39.310 18.556 660 HG2 LYS 6 HG2 LYS 6 36.296 37.819 16.771 661 HG3 LYS 6 HG3 LYS 6 34.856 37.213 17.589 662 HD2 LYS 6 HD2 LYS 6 33.415 38.042 15.815 663 HD3 LYS 6 HD3 LYS 6 34.756 38.957 15.086 664 HE2 LYS 6 HE2 LYS 6 35.968 36.846 14.625 665 HE3 LYS 6 HE3 LYS 6 34.657 35.915 15.351 666 HZ1 LYS 6 HZ1 LYS 6 34.327 37.675 12.980 667 HZ2 LYS 6 HZ2 LYS 6 34.500 36.029 12.916 668 HZ3 LYS 6 HZ3 LYS 6 33.183 36.687 13.631 669 H LYS 7 H LYS 7 34.622 39.753 20.776 670 HA LYS 7 HA LYS 7 33.817 37.179 21.672 671 HB2 LYS 7 HB2 LYS 7 35.547 38.800 22.715 672 HB3 LYS 7 HB3 LYS 7 34.186 39.634 23.442 673 HG2 LYS 7 HG2 LYS 7 35.072 38.198 25.088 674 HG3 LYS 7 HG3 LYS 7 33.560 37.445 24.580 675 HD2 LYS 7 HD2 LYS 7 34.802 35.817 23.205 676 HD3 LYS 7 HD3 LYS 7 36.330 36.657 23.545 677 HE2 LYS 7 HE2 LYS 7 36.059 36.181 25.964 678 HE3 LYS 7 HE3 LYS 7 34.541 35.332 25.636 679 HZ1 LYS 7 HZ1 LYS 7 37.221 34.534 24.593 680 HZ2 LYS 7 HZ2 LYS 7 36.448 33.804 25.819 681 HZ3 LYS 7 HZ3 LYS 7 35.833 33.737 24.292 682 H MET 8 H MET 8 32.180 40.332 22.102 683 HA MET 8 HA MET 8 29.920 39.247 23.542 684 HB2 MET 8 HB2 MET 8 30.268 41.857 22.010 685 HB3 MET 8 HB3 MET 8 28.885 41.455 23.044 686 HG2 MET 8 HG2 MET 8 30.483 41.125 24.962 687 HG3 MET 8 HG3 MET 8 31.795 41.661 23.919 688 HE1 MET 8 HE1 MET 8 28.797 42.524 26.073 689 HE2 MET 8 HE2 MET 8 28.488 44.254 25.795 690 HE3 MET 8 HE3 MET 8 28.051 43.061 24.550 691 H GLN 9 H GLN 9 30.458 39.894 20.049 692 HA GLN 9 HA GLN 9 27.885 39.110 19.133 693 HB2 GLN 9 HB2 GLN 9 29.612 40.270 17.796 694 HB3 GLN 9 HB3 GLN 9 30.621 38.818 17.825 695 HG2 GLN 9 HG2 GLN 9 28.809 37.582 16.604 696 HG3 GLN 9 HG3 GLN 9 27.873 39.075 16.542 697 HE21 GLN 9 HE21 GLN 9 29.398 39.032 13.279 698 HE22 GLN 9 HE22 GLN 9 28.097 38.259 14.188 699 H MET 10 H MET 10 30.823 37.063 19.675 700 HA MET 10 HA MET 10 29.487 34.586 19.073 701 HB2 MET 10 HB2 MET 10 31.974 35.186 20.714 702 HB3 MET 10 HB3 MET 10 31.401 33.553 20.336 703 HG2 MET 10 HG2 MET 10 31.491 34.094 17.909 704 HG3 MET 10 HG3 MET 10 32.196 35.659 18.288 705 HE1 MET 10 HE1 MET 10 35.734 34.669 19.712 706 HE2 MET 10 HE2 MET 10 34.553 35.973 19.469 707 HE3 MET 10 HE3 MET 10 34.294 34.763 20.744 708 H LEU 11 H LEU 11 29.746 36.382 22.188 709 HA LEU 11 HA LEU 11 28.525 34.337 23.762 710 HB2 LEU 11 HB2 LEU 11 29.722 36.248 24.721 711 HB3 LEU 11 HB3 LEU 11 28.507 37.359 24.085 712 HG LEU 11 HG LEU 11 26.788 36.372 25.565 713 HD11 LEU 11 HD11 LEU 11 29.083 34.692 26.678 714 HD12 LEU 11 HD12 LEU 11 27.470 34.860 27.409 715 HD13 LEU 11 HD13 LEU 11 27.635 34.079 25.843 716 HD21 LEU 11 HD21 LEU 11 29.328 37.182 27.038 717 HD22 LEU 11 HD22 LEU 11 28.148 38.300 26.313 718 HD23 LEU 11 HD23 LEU 11 27.668 37.262 27.668 719 H LYS 12 H LYS 12 26.973 36.920 21.759 720 HA LYS 12 HA LYS 12 24.308 36.084 22.564 721 HB2 LYS 12 HB2 LYS 12 25.024 38.329 21.503 722 HB3 LYS 12 HB3 LYS 12 24.917 37.487 19.946 723 HG2 LYS 12 HG2 LYS 12 22.532 36.876 20.487 724 HG3 LYS 12 HG3 LYS 12 22.694 37.704 22.047 725 HD2 LYS 12 HD2 LYS 12 23.222 39.821 20.783 726 HD3 LYS 12 HD3 LYS 12 22.841 38.957 19.278 727 HE2 LYS 12 HE2 LYS 12 20.521 38.489 20.254 728 HE3 LYS 12 HE3 LYS 12 20.978 39.490 21.639 729 HZ1 LYS 12 HZ1 LYS 12 20.503 40.372 18.867 730 HZ2 LYS 12 HZ2 LYS 12 20.021 41.090 20.265 731 HZ3 LYS 12 HZ3 LYS 12 21.541 41.220 19.806 732 H LEU 13 H LEU 13 26.496 34.931 20.017 733 HA LEU 13 HA LEU 13 24.562 33.156 18.807 734 HB2 LEU 13 HB2 LEU 13 26.608 33.846 17.660 735 HB3 LEU 13 HB3 LEU 13 27.597 33.063 18.889 736 HG LEU 13 HG LEU 13 26.746 30.843 18.219 737 HD11 LEU 13 HD11 LEU 13 25.279 32.368 16.018 738 HD12 LEU 13 HD12 LEU 13 25.477 30.600 16.110 739 HD13 LEU 13 HD13 LEU 13 24.519 31.442 17.335 740 HD21 LEU 13 HD21 LEU 13 28.781 31.753 17.179 741 HD22 LEU 13 HD22 LEU 13 27.880 30.743 16.040 742 HD23 LEU 13 HD23 LEU 13 27.805 32.513 15.900 743 H ASP 14 H ASP 14 26.809 32.752 21.569 744 HA ASP 14 HA ASP 14 26.170 30.041 22.199 745 HB2 ASP 14 HB2 ASP 14 28.009 31.617 23.135 746 HB3 ASP 14 HB3 ASP 14 26.775 32.213 24.238 747 H ASN 15 H ASN 15 24.625 33.115 23.338 748 HA ASN 15 HA ASN 15 22.501 31.922 24.789 749 HB2 ASN 15 HB2 ASN 15 22.587 34.584 23.300 750 HB3 ASN 15 HB3 ASN 15 21.304 34.091 24.394 751 HD21 ASN 15 HD21 ASN 15 23.274 36.035 26.643 752 HD22 ASN 15 HD22 ASN 15 22.049 36.248 25.372 753 H TYR 16 H TYR 16 22.589 32.749 21.281 754 HA TYR 16 HA TYR 16 19.940 31.841 20.682 755 HB2 TYR 16 HB2 TYR 16 21.169 33.222 19.139 756 HB3 TYR 16 HB3 TYR 16 22.475 32.058 19.027 757 HD1 TYR 16 HD1 TYR 16 22.334 30.085 17.634 758 HD2 TYR 16 HD2 TYR 16 18.973 32.761 18.007 759 HE1 TYR 16 HE1 TYR 16 21.206 28.940 15.729 760 HE2 TYR 16 HE2 TYR 16 17.855 31.622 16.090 761 HH TYR 16 HH TYR 16 18.210 30.065 14.294 762 H HIS 17 H HIS 17 23.025 30.002 20.874 763 HA HIS 17 HA HIS 17 21.737 27.502 20.089 764 HB2 HIS 17 HB2 HIS 17 24.481 28.333 20.888 765 HB3 HIS 17 HB3 HIS 17 24.017 26.673 21.279 766 HD2 HIS 17 HD2 HIS 17 24.472 28.988 18.234 767 HE1 HIS 17 HE1 HIS 17 23.325 25.192 16.670 768 HE2 HIS 17 HE2 HIS 17 24.001 27.544 16.048 769 H LEU 18 H LEU 18 22.297 29.067 23.230 770 HA LEU 18 HA LEU 18 21.230 26.878 24.779 771 HB2 LEU 18 HB2 LEU 18 21.431 29.863 25.271 772 HB3 LEU 18 HB3 LEU 18 20.730 28.757 26.439 773 HG LEU 18 HG LEU 18 23.580 28.448 25.412 774 HD11 LEU 18 HD11 LEU 18 23.328 30.609 26.553 775 HD12 LEU 18 HD12 LEU 18 22.531 29.812 27.930 776 HD13 LEU 18 HD13 LEU 18 24.233 29.485 27.568 777 HD21 LEU 18 HD21 LEU 18 22.127 27.316 27.846 778 HD22 LEU 18 HD22 LEU 18 22.635 26.394 26.409 779 HD23 LEU 18 HD23 LEU 18 23.853 27.108 27.475 780 H GLU 19 H GLU 19 19.523 29.717 23.236 781 HA GLU 19 HA GLU 19 16.925 28.812 24.075 782 HB2 GLU 19 HB2 GLU 19 17.098 31.020 23.223 783 HB3 GLU 19 HB3 GLU 19 17.745 30.477 21.667 784 HG2 GLU 19 HG2 GLU 19 15.682 29.607 20.934 785 HG3 GLU 19 HG3 GLU 19 15.046 29.455 22.572 786 H ASN 20 H ASN 20 18.834 27.904 21.156 787 HA ASN 20 HA ASN 20 16.861 26.116 20.076 788 HB2 ASN 20 HB2 ASN 20 19.874 26.344 19.840 789 HB3 ASN 20 HB3 ASN 20 19.066 24.913 19.222 790 HD21 ASN 20 HD21 ASN 20 18.638 28.409 17.195 791 HD22 ASN 20 HD22 ASN 20 19.244 28.463 18.840 792 H GLU 21 H GLU 21 19.331 25.559 22.603 793 HA GLU 21 HA GLU 21 18.728 22.743 22.874 794 HB2 GLU 21 HB2 GLU 21 20.911 23.837 23.489 795 HB3 GLU 21 HB3 GLU 21 20.094 24.663 24.806 796 HG2 GLU 21 HG2 GLU 21 21.302 22.775 25.670 797 HG3 GLU 21 HG3 GLU 21 19.578 22.494 25.872 798 H VAL 22 H VAL 22 17.649 25.637 24.718 799 HA VAL 22 HA VAL 22 15.941 24.222 26.544 800 HB VAL 22 HB VAL 22 15.923 27.071 25.494 801 HG11 VAL 22 HG11 VAL 22 14.316 27.600 27.330 802 HG12 VAL 22 HG12 VAL 22 13.594 26.628 26.052 803 HG13 VAL 22 HG13 VAL 22 14.069 25.861 27.590 804 HG21 VAL 22 HG21 VAL 22 16.551 25.837 28.220 805 HG22 VAL 22 HG22 VAL 22 17.748 26.437 27.048 806 HG23 VAL 22 HG23 VAL 22 16.631 27.562 27.824 807 H ALA 23 H ALA 23 15.189 25.679 23.311 808 HA ALA 23 HA ALA 23 12.496 24.791 23.210 809 HB1 ALA 23 HB1 ALA 23 13.475 26.460 21.690 810 HB2 ALA 23 HB2 ALA 23 14.507 25.215 20.952 811 HB3 ALA 23 HB3 ALA 23 12.737 25.130 20.777 812 H ARG 24 H ARG 24 15.506 23.069 22.242 813 HA ARG 24 HA ARG 24 14.237 20.700 21.208 814 HB2 ARG 24 HB2 ARG 24 16.615 21.412 20.846 815 HB3 ARG 24 HB3 ARG 24 16.978 20.996 22.526 816 HG2 ARG 24 HG2 ARG 24 16.373 18.616 22.034 817 HG3 ARG 24 HG3 ARG 24 15.977 19.088 20.376 818 HD2 ARG 24 HD2 ARG 24 18.151 18.244 20.195 819 HD3 ARG 24 HD3 ARG 24 18.383 19.984 20.190 820 HE ARG 24 HE ARG 24 19.373 19.891 22.364 821 HH11 ARG 24 HH11 ARG 24 18.775 16.625 21.181 822 HH12 ARG 24 HH12 ARG 24 19.476 15.940 22.644 823 HH21 ARG 24 HH21 ARG 24 20.305 18.886 24.079 824 HH22 ARG 24 HH22 ARG 24 20.319 17.125 24.137 825 H LEU 25 H LEU 25 15.468 21.421 24.501 826 HA LEU 25 HA LEU 25 14.612 18.901 25.616 827 HB2 LEU 25 HB2 LEU 25 15.350 21.575 26.838 828 HB3 LEU 25 HB3 LEU 25 14.987 20.140 27.799 829 HG LEU 25 HG LEU 25 17.208 20.185 25.710 830 HD11 LEU 25 HD11 LEU 25 17.637 21.881 27.444 831 HD12 LEU 25 HD12 LEU 25 17.401 20.660 28.717 832 HD13 LEU 25 HD13 LEU 25 18.758 20.520 27.566 833 HD21 LEU 25 HD21 LEU 25 16.664 18.349 28.083 834 HD22 LEU 25 HD22 LEU 25 16.447 17.924 26.369 835 HD23 LEU 25 HD23 LEU 25 18.066 18.268 26.990 836 H LYS 26 H LYS 26 12.988 22.106 25.507 837 HA LYS 26 HA LYS 26 10.617 21.352 26.930 838 HB2 LYS 26 HB2 LYS 26 11.143 23.423 24.766 839 HB3 LYS 26 HB3 LYS 26 9.559 23.190 25.508 840 HG2 LYS 26 HG2 LYS 26 10.462 23.660 27.743 841 HG3 LYS 26 HG3 LYS 26 12.086 23.818 27.085 842 HD2 LYS 26 HD2 LYS 26 11.210 26.025 27.457 843 HD3 LYS 26 HD3 LYS 26 11.322 25.767 25.704 844 HE2 LYS 26 HE2 LYS 26 8.913 25.247 25.607 845 HE3 LYS 26 HE3 LYS 26 8.790 25.391 27.366 846 HZ1 LYS 26 HZ1 LYS 26 9.366 27.758 27.137 847 HZ2 LYS 26 HZ2 LYS 26 9.443 27.607 25.498 848 HZ3 LYS 26 HZ3 LYS 26 8.026 27.338 26.251 849 H LYS 27 H LYS 27 11.263 21.210 23.381 850 HA LYS 27 HA LYS 27 8.857 19.857 22.657 851 HB2 LYS 27 HB2 LYS 27 11.657 19.802 21.466 852 HB3 LYS 27 HB3 LYS 27 10.289 18.979 20.714 853 HG2 LYS 27 HG2 LYS 27 9.126 21.004 20.268 854 HG3 LYS 27 HG3 LYS 27 10.145 21.946 21.360 855 HD2 LYS 27 HD2 LYS 27 12.109 21.525 19.883 856 HD3 LYS 27 HD3 LYS 27 11.057 20.668 18.744 857 HE2 LYS 27 HE2 LYS 27 9.722 22.727 18.409 858 HE3 LYS 27 HE3 LYS 27 10.681 23.558 19.644 859 HZ1 LYS 27 HZ1 LYS 27 12.658 23.157 18.200 860 HZ2 LYS 27 HZ2 LYS 27 11.671 22.632 16.996 861 HZ3 LYS 27 HZ3 LYS 27 11.564 24.179 17.528 862 H LEU 28 H LEU 28 11.956 18.416 23.792 863 HA LEU 28 HA LEU 28 11.117 15.709 23.539 864 HB2 LEU 28 HB2 LEU 28 13.195 17.089 25.247 865 HB3 LEU 28 HB3 LEU 28 12.944 15.357 25.362 866 HG LEU 28 HG LEU 28 13.501 16.680 22.675 867 HD11 LEU 28 HD11 LEU 28 15.516 15.547 24.662 868 HD12 LEU 28 HD12 LEU 28 15.862 16.022 22.982 869 HD13 LEU 28 HD13 LEU 28 15.370 17.248 24.157 870 HD21 LEU 28 HD21 LEU 28 12.612 14.366 22.619 871 HD22 LEU 28 HD22 LEU 28 14.286 14.433 22.079 872 HD23 LEU 28 HD23 LEU 28 13.917 13.838 23.710 873 H VAL 29 H VAL 29 10.517 17.937 26.294 874 HA VAL 29 HA VAL 29 9.069 15.752 27.707 875 HB VAL 29 HB VAL 29 8.748 17.257 29.534 876 HG11 VAL 29 HG11 VAL 29 10.880 16.022 29.377 877 HG12 VAL 29 HG12 VAL 29 11.628 17.417 28.563 878 HG13 VAL 29 HG13 VAL 29 11.057 17.564 30.233 879 HG21 VAL 29 HG21 VAL 29 8.457 19.409 28.335 880 HG22 VAL 29 HG22 VAL 29 9.657 19.513 29.629 881 HG23 VAL 29 HG23 VAL 29 10.190 19.403 27.943 882 H GLY 30 H GLY 30 8.251 17.989 25.311 883 HA2 GLY 30 HA2 GLY 30 6.176 18.198 24.273 884 HA3 GLY 30 HA3 GLY 30 5.393 17.402 25.639 885 H GLU 31 H GLU 31 7.523 20.207 26.081 886 HA GLU 31 HA GLU 31 5.174 21.793 26.895 887 HB2 GLU 31 HB2 GLU 31 6.785 21.413 28.682 888 HB3 GLU 31 HB3 GLU 31 8.050 22.167 27.719 889 HG2 GLU 31 HG2 GLU 31 7.270 23.668 29.453 890 HG3 GLU 31 HG3 GLU 31 6.924 24.343 27.875 891 H ARG 32 H ARG 32 4.972 23.962 26.406 892 HA ARG 32 HA ARG 32 5.785 24.627 23.634 893 HB2 ARG 32 HB2 ARG 32 3.886 26.169 23.692 894 HB3 ARG 32 HB3 ARG 32 3.407 24.544 24.187 895 HG2 ARG 32 HG2 ARG 32 3.774 25.422 26.639 896 HG3 ARG 32 HG3 ARG 32 3.727 27.030 25.928 897 HD2 ARG 32 HD2 ARG 32 1.544 24.999 25.369 898 HD3 ARG 32 HD3 ARG 32 1.595 25.887 26.894 899 HE ARG 32 HE ARG 32 1.792 27.650 24.571 900 HH11 ARG 32 HH11 ARG 32 -0.555 25.948 26.512 901 HH12 ARG 32 HH12 ARG 32 -1.585 27.344 26.708 902 HH21 ARG 32 HH21 ARG 32 0.212 29.263 24.488 903 HH22 ARG 32 HH22 ARG 32 -1.178 29.119 25.557 Start of MODEL 7 1 H1 SER 2 H1 SER 2 21.354 19.582 13.760 2 H2 SER 2 H2 SER 2 22.656 19.109 14.659 3 H3 SER 2 H3 SER 2 22.144 20.689 14.657 4 HA SER 2 HA SER 2 20.085 20.104 15.682 5 HB2 SER 2 HB2 SER 2 20.080 17.733 14.842 6 HB3 SER 2 HB3 SER 2 21.313 17.358 16.076 7 HG SER 2 HG SER 2 18.676 18.324 16.411 8 H THR 3 H THR 3 19.909 20.351 17.987 9 HA THR 3 HA THR 3 22.412 20.982 19.378 10 HB THR 3 HB THR 3 20.952 21.682 21.208 11 HG1 THR 3 HG1 THR 3 19.145 20.775 21.392 12 HG21 THR 3 HG21 THR 3 19.731 23.479 20.146 13 HG22 THR 3 HG22 THR 3 21.276 23.271 19.304 14 HG23 THR 3 HG23 THR 3 19.771 22.662 18.573 15 H PHE 4 H PHE 4 20.444 18.124 19.126 16 HA PHE 4 HA PHE 4 20.702 17.145 21.768 17 HB2 PHE 4 HB2 PHE 4 19.070 16.224 20.267 18 HB3 PHE 4 HB3 PHE 4 20.313 15.722 19.123 19 HD1 PHE 4 HD1 PHE 4 20.988 13.473 19.150 20 HD2 PHE 4 HD2 PHE 4 19.387 15.208 22.760 21 HE1 PHE 4 HE1 PHE 4 21.221 11.288 20.313 22 HE2 PHE 4 HE2 PHE 4 19.612 13.026 23.907 23 HZ PHE 4 HZ PHE 4 20.551 11.071 22.695 24 H GLY 5 H GLY 5 22.112 15.903 22.843 25 HA2 GLY 5 HA2 GLY 5 23.961 14.521 23.248 26 HA3 GLY 5 HA3 GLY 5 24.532 14.781 21.602 27 H TYR 6 H TYR 6 24.141 17.873 22.325 28 HA TYR 6 HA TYR 6 26.905 18.204 23.282 29 HB2 TYR 6 HB2 TYR 6 24.903 20.163 22.113 30 HB3 TYR 6 HB3 TYR 6 26.550 20.568 22.595 31 HD1 TYR 6 HD1 TYR 6 24.489 18.792 20.077 32 HD2 TYR 6 HD2 TYR 6 28.490 19.709 21.377 33 HE1 TYR 6 HE1 TYR 6 25.384 17.793 17.997 34 HE2 TYR 6 HE2 TYR 6 29.401 18.649 19.295 35 HH TYR 6 HH TYR 6 28.734 16.961 17.703 36 H ARG 7 H ARG 7 27.486 18.732 25.265 37 HA ARG 7 HA ARG 7 25.403 18.972 27.313 38 HB2 ARG 7 HB2 ARG 7 28.395 18.545 27.349 39 HB3 ARG 7 HB3 ARG 7 27.538 18.961 28.823 40 HG2 ARG 7 HG2 ARG 7 27.895 16.512 28.447 41 HG3 ARG 7 HG3 ARG 7 26.237 16.997 28.819 42 HD2 ARG 7 HD2 ARG 7 25.563 16.722 26.507 43 HD3 ARG 7 HD3 ARG 7 27.233 16.453 25.992 44 HE ARG 7 HE ARG 7 25.465 14.598 27.508 45 HH11 ARG 7 HH11 ARG 7 28.709 15.143 26.337 46 HH12 ARG 7 HH12 ARG 7 29.170 13.465 26.532 47 HH21 ARG 7 HH21 ARG 7 25.939 12.521 27.396 48 HH22 ARG 7 HH22 ARG 7 27.526 11.961 26.829 49 H ARG 8 H ARG 8 24.543 20.737 27.870 50 HA ARG 8 HA ARG 8 25.999 23.300 28.197 51 HB2 ARG 8 HB2 ARG 8 23.145 22.499 28.949 52 HB3 ARG 8 HB3 ARG 8 23.813 24.117 29.067 53 HG2 ARG 8 HG2 ARG 8 23.172 22.550 26.560 54 HG3 ARG 8 HG3 ARG 8 22.515 24.089 27.096 55 HD2 ARG 8 HD2 ARG 8 25.279 23.528 25.957 56 HD3 ARG 8 HD3 ARG 8 23.983 24.505 25.259 57 HE ARG 8 HE ARG 8 25.071 25.441 27.874 58 HH11 ARG 8 HH11 ARG 8 25.247 25.891 24.393 59 HH12 ARG 8 HH12 ARG 8 26.050 27.430 24.587 60 HH21 ARG 8 HH21 ARG 8 26.003 27.320 28.026 61 HH22 ARG 8 HH22 ARG 8 26.328 28.295 26.574 62 H GLY 9 H GLY 9 25.673 24.410 30.319 63 HA2 GLY 9 HA2 GLY 9 26.042 24.338 32.715 64 HA3 GLY 9 HA3 GLY 9 26.575 22.651 32.583 65 H LEU 10 H LEU 10 27.227 25.787 31.082 66 HA LEU 10 HA LEU 10 30.202 25.362 31.096 67 HB2 LEU 10 HB2 LEU 10 28.479 26.470 28.840 68 HB3 LEU 10 HB3 LEU 10 30.229 26.308 28.813 69 HG LEU 10 HG LEU 10 28.255 23.980 28.894 70 HD11 LEU 10 HD11 LEU 10 28.195 25.262 26.778 71 HD12 LEU 10 HD12 LEU 10 29.951 25.074 26.615 72 HD13 LEU 10 HD13 LEU 10 28.892 23.649 26.553 73 HD21 LEU 10 HD21 LEU 10 30.214 22.613 28.297 74 HD22 LEU 10 HD22 LEU 10 31.275 24.027 28.463 75 HD23 LEU 10 HD23 LEU 10 30.434 23.368 29.889 76 H SER 11 H SER 11 27.478 27.585 31.323 77 HA SER 11 HA SER 11 28.529 30.067 30.780 78 HB2 SER 11 HB2 SER 11 26.784 30.893 32.403 79 HB3 SER 11 HB3 SER 11 26.193 29.726 31.208 80 HG SER 11 HG SER 11 26.037 28.188 32.645 81 H LYS 12 H LYS 12 29.050 28.279 33.794 82 HA LYS 12 HA LYS 12 30.097 30.346 35.403 83 HB2 LYS 12 HB2 LYS 12 29.503 27.887 35.989 84 HB3 LYS 12 HB3 LYS 12 31.150 27.490 35.482 85 HG2 LYS 12 HG2 LYS 12 32.038 29.082 37.192 86 HG3 LYS 12 HG3 LYS 12 30.380 29.523 37.630 87 HD2 LYS 12 HD2 LYS 12 29.994 27.099 38.278 88 HD3 LYS 12 HD3 LYS 12 31.732 26.815 38.023 89 HE2 LYS 12 HE2 LYS 12 32.275 28.538 39.718 90 HE3 LYS 12 HE3 LYS 12 30.557 28.927 39.885 91 HZ1 LYS 12 HZ1 LYS 12 30.248 26.550 40.656 92 HZ2 LYS 12 HZ2 LYS 12 31.882 26.425 40.775 93 HZ3 LYS 12 HZ3 LYS 12 31.057 27.517 41.663 94 H TYR 13 H TYR 13 31.725 28.790 32.675 95 HA TYR 13 HA TYR 13 34.418 29.506 33.408 96 HB2 TYR 13 HB2 TYR 13 33.131 29.044 30.691 97 HB3 TYR 13 HB3 TYR 13 34.854 29.250 30.950 98 HD1 TYR 13 HD1 TYR 13 35.699 27.637 33.102 99 HD2 TYR 13 HD2 TYR 13 32.641 26.805 30.173 100 HE1 TYR 13 HE1 TYR 13 36.055 25.198 33.419 101 HE2 TYR 13 HE2 TYR 13 33.053 24.362 30.446 102 HH TYR 13 HH TYR 13 34.777 22.835 31.249 103 H GLU 14 H GLU 14 31.819 31.516 32.156 104 HA GLU 14 HA GLU 14 33.788 33.743 31.773 105 HB2 GLU 14 HB2 GLU 14 31.157 33.223 30.359 106 HB3 GLU 14 HB3 GLU 14 32.049 34.734 30.232 107 HG2 GLU 14 HG2 GLU 14 33.119 32.008 29.385 108 HG3 GLU 14 HG3 GLU 14 32.431 33.225 28.315 109 H SER 15 H SER 15 32.491 32.838 34.287 110 HA SER 15 HA SER 15 30.427 34.690 35.006 111 HB2 SER 15 HB2 SER 15 30.892 33.857 37.331 112 HB3 SER 15 HB3 SER 15 30.575 32.595 36.135 113 HG SER 15 HG SER 15 32.632 31.960 36.191 114 H ILE 16 H ILE 16 33.675 35.408 34.609 115 HA ILE 16 HA ILE 16 34.041 37.268 36.829 116 HB ILE 16 HB ILE 16 35.664 36.267 34.490 117 HG12 ILE 16 HG12 ILE 16 37.329 35.791 36.281 118 HG13 ILE 16 HG13 ILE 16 36.231 36.458 37.487 119 HG21 ILE 16 HG21 ILE 16 36.515 38.672 36.144 120 HG22 ILE 16 HG22 ILE 16 37.561 37.723 35.065 121 HG23 ILE 16 HG23 ILE 16 36.217 38.621 34.389 122 HD11 ILE 16 HD11 ILE 16 35.602 34.031 35.746 123 HD12 ILE 16 HD12 ILE 16 36.305 33.951 37.374 124 HD13 ILE 16 HD13 ILE 16 34.681 34.609 37.161 125 H ASP 17 H ASP 17 34.172 39.507 36.772 126 HA ASP 17 HA ASP 17 32.830 40.969 34.622 127 HB2 ASP 17 HB2 ASP 17 34.261 41.956 37.113 128 HB3 ASP 17 HB3 ASP 17 33.306 42.945 36.006 129 H GLU 18 H GLU 18 33.762 42.033 32.985 130 HA GLU 18 HA GLU 18 36.465 41.300 32.285 131 HB2 GLU 18 HB2 GLU 18 34.577 43.107 30.742 132 HB3 GLU 18 HB3 GLU 18 35.933 42.188 30.094 133 HG2 GLU 18 HG2 GLU 18 33.330 41.042 31.188 134 HG3 GLU 18 HG3 GLU 18 33.769 41.228 29.502 135 H ASP 19 H ASP 19 36.502 43.192 34.479 136 HA ASP 19 HA ASP 19 36.720 45.895 33.706 137 HB2 ASP 19 HB2 ASP 19 38.269 44.688 36.013 138 HB3 ASP 19 HB3 ASP 19 37.674 46.337 35.858 139 H GLU 20 H GLU 20 39.364 43.484 33.954 140 HA GLU 20 HA GLU 20 41.437 45.467 33.549 141 HB2 GLU 20 HB2 GLU 20 41.680 42.454 33.231 142 HB3 GLU 20 HB3 GLU 20 42.973 43.619 33.465 143 HG2 GLU 20 HG2 GLU 20 42.694 42.625 35.575 144 HG3 GLU 20 HG3 GLU 20 41.958 44.221 35.714 145 H LEU 21 H LEU 21 39.543 43.482 31.358 146 HA LEU 21 HA LEU 21 41.164 43.907 28.977 147 HB2 LEU 21 HB2 LEU 21 38.194 43.256 29.330 148 HB3 LEU 21 HB3 LEU 21 39.004 43.442 27.785 149 HG LEU 21 HG LEU 21 40.539 41.538 28.395 150 HD11 LEU 21 HD11 LEU 21 40.230 41.384 30.826 151 HD12 LEU 21 HD12 LEU 21 38.479 41.127 30.616 152 HD13 LEU 21 HD13 LEU 21 39.648 39.910 30.071 153 HD21 LEU 21 HD21 LEU 21 38.597 41.311 26.878 154 HD22 LEU 21 HD22 LEU 21 38.859 39.841 27.825 155 HD23 LEU 21 HD23 LEU 21 37.549 40.954 28.276 156 H LEU 22 H LEU 22 38.302 45.522 30.411 157 HA LEU 22 HA LEU 22 38.120 47.632 28.468 158 HB2 LEU 22 HB2 LEU 22 37.185 47.404 31.356 159 HB3 LEU 22 HB3 LEU 22 36.737 48.734 30.298 160 HG LEU 22 HG LEU 22 36.109 45.827 29.607 161 HD11 LEU 22 HD11 LEU 22 33.836 46.272 30.437 162 HD12 LEU 22 HD12 LEU 22 35.036 46.377 31.732 163 HD13 LEU 22 HD13 LEU 22 34.358 47.869 31.033 164 HD21 LEU 22 HD21 LEU 22 34.952 48.477 28.629 165 HD22 LEU 22 HD22 LEU 22 36.018 47.398 27.702 166 HD23 LEU 22 HD23 LEU 22 34.397 46.858 28.154 167 H ALA 23 H ALA 23 39.881 47.475 31.592 168 HA ALA 23 HA ALA 23 40.825 50.152 31.608 169 HB1 ALA 23 HB1 ALA 23 42.073 47.603 32.724 170 HB2 ALA 23 HB2 ALA 23 42.486 49.259 33.204 171 HB3 ALA 23 HB3 ALA 23 40.864 48.623 33.542 172 H SER 24 H SER 24 42.043 47.368 29.766 173 HA SER 24 HA SER 24 44.599 48.497 29.078 174 HB2 SER 24 HB2 SER 24 44.820 46.764 27.547 175 HB3 SER 24 HB3 SER 24 43.850 46.059 28.842 176 HG SER 24 HG SER 24 42.002 46.343 27.518 177 H LEU 25 H LEU 25 41.411 49.232 27.921 178 HA LEU 25 HA LEU 25 42.230 50.030 25.247 179 HB2 LEU 25 HB2 LEU 25 39.572 50.321 26.694 180 HB3 LEU 25 HB3 LEU 25 39.842 50.591 24.981 181 HG LEU 25 HG LEU 25 40.078 47.937 26.451 182 HD11 LEU 25 HD11 LEU 25 37.789 48.638 26.097 183 HD12 LEU 25 HD12 LEU 25 38.112 48.995 24.386 184 HD13 LEU 25 HD13 LEU 25 38.179 47.321 24.981 185 HD21 LEU 25 HD21 LEU 25 40.407 46.903 24.239 186 HD22 LEU 25 HD22 LEU 25 40.501 48.520 23.489 187 HD23 LEU 25 HD23 LEU 25 41.742 47.972 24.636 188 H SER 26 H SER 26 42.314 51.946 24.328 189 HA SER 26 HA SER 26 42.705 54.379 25.850 190 HB2 SER 26 HB2 SER 26 42.803 55.444 23.647 191 HB3 SER 26 HB3 SER 26 43.766 53.952 23.644 192 HG SER 26 HG SER 26 42.236 52.918 22.519 193 H ALA 27 H ALA 27 41.398 56.332 25.622 194 HA ALA 27 HA ALA 27 38.673 56.031 26.213 195 HB1 ALA 27 HB1 ALA 27 40.114 58.436 25.005 196 HB2 ALA 27 HB2 ALA 27 38.549 58.472 25.844 197 HB3 ALA 27 HB3 ALA 27 40.018 58.030 26.736 198 H GLU 28 H GLU 28 40.157 56.583 22.975 199 HA GLU 28 HA GLU 28 37.568 56.778 21.694 200 HB2 GLU 28 HB2 GLU 28 39.752 57.886 20.946 201 HB3 GLU 28 HB3 GLU 28 40.217 56.313 20.299 202 HG2 GLU 28 HG2 GLU 28 39.217 57.802 18.581 203 HG3 GLU 28 HG3 GLU 28 38.284 56.326 18.786 204 H GLU 29 H GLU 29 39.694 54.043 22.423 205 HA GLU 29 HA GLU 29 38.251 52.145 20.733 206 HB2 GLU 29 HB2 GLU 29 40.083 51.941 23.125 207 HB3 GLU 29 HB3 GLU 29 39.191 50.529 22.579 208 HG2 GLU 29 HG2 GLU 29 40.210 50.535 20.427 209 HG3 GLU 29 HG3 GLU 29 40.919 52.137 20.677 210 H LEU 30 H LEU 30 37.812 53.312 24.109 211 HA LEU 30 HA LEU 30 35.505 51.617 24.612 212 HB2 LEU 30 HB2 LEU 30 36.498 54.189 25.894 213 HB3 LEU 30 HB3 LEU 30 35.105 53.291 26.490 214 HG LEU 30 HG LEU 30 37.902 52.087 26.276 215 HD11 LEU 30 HD11 LEU 30 36.461 53.327 28.658 216 HD12 LEU 30 HD12 LEU 30 37.990 52.412 28.725 217 HD13 LEU 30 HD13 LEU 30 37.923 53.947 27.847 218 HD21 LEU 30 HD21 LEU 30 36.098 50.397 26.341 219 HD22 LEU 30 HD22 LEU 30 36.999 50.414 27.859 220 HD23 LEU 30 HD23 LEU 30 35.396 51.184 27.771 221 H LYS 31 H LYS 31 35.833 54.902 23.264 222 HA LYS 31 HA LYS 31 32.987 55.403 22.994 223 HB2 LYS 31 HB2 LYS 31 35.428 56.473 21.528 224 HB3 LYS 31 HB3 LYS 31 33.790 57.027 21.192 225 HG2 LYS 31 HG2 LYS 31 33.484 57.921 23.378 226 HG3 LYS 31 HG3 LYS 31 34.928 57.128 24.012 227 HD2 LYS 31 HD2 LYS 31 36.365 58.519 22.569 228 HD3 LYS 31 HD3 LYS 31 34.935 59.322 21.895 229 HE2 LYS 31 HE2 LYS 31 34.342 60.045 24.257 230 HE3 LYS 31 HE3 LYS 31 35.872 59.334 24.798 231 HZ1 LYS 31 HZ1 LYS 31 36.270 61.577 24.486 232 HZ2 LYS 31 HZ2 LYS 31 36.946 60.902 23.145 233 HZ3 LYS 31 HZ3 LYS 31 35.481 61.672 23.045 234 H GLU 32 H GLU 32 35.373 53.959 20.686 235 HA GLU 32 HA GLU 32 33.420 53.417 18.677 236 HB2 GLU 32 HB2 GLU 32 35.924 53.391 18.412 237 HB3 GLU 32 HB3 GLU 32 35.964 51.854 19.266 238 HG2 GLU 32 HG2 GLU 32 36.069 51.463 16.877 239 HG3 GLU 32 HG3 GLU 32 34.554 50.826 17.502 240 H LEU 33 H LEU 33 34.564 51.349 21.391 241 HA LEU 33 HA LEU 33 33.075 49.039 20.817 242 HB2 LEU 33 HB2 LEU 33 34.904 49.268 22.468 243 HB3 LEU 33 HB3 LEU 33 33.879 50.266 23.485 244 HG LEU 33 HG LEU 33 32.386 48.347 23.914 245 HD11 LEU 33 HD11 LEU 33 34.422 46.664 22.378 246 HD12 LEU 33 HD12 LEU 33 32.982 46.085 23.248 247 HD13 LEU 33 HD13 LEU 33 32.801 47.056 21.791 248 HD21 LEU 33 HD21 LEU 33 34.353 48.823 25.368 249 HD22 LEU 33 HD22 LEU 33 33.943 47.103 25.328 250 HD23 LEU 33 HD23 LEU 33 35.327 47.710 24.395 251 H GLU 34 H GLU 34 31.982 52.024 22.390 252 HA GLU 34 HA GLU 34 29.362 51.009 23.139 253 HB2 GLU 34 HB2 GLU 34 30.359 52.850 24.301 254 HB3 GLU 34 HB3 GLU 34 30.450 53.830 22.831 255 HG2 GLU 34 HG2 GLU 34 28.071 54.085 22.729 256 HG3 GLU 34 HG3 GLU 34 27.812 52.773 23.891 257 H ARG 35 H ARG 35 30.581 52.838 20.280 258 HA ARG 35 HA ARG 35 28.018 53.035 18.946 259 HB2 ARG 35 HB2 ARG 35 30.179 54.291 18.357 260 HB3 ARG 35 HB3 ARG 35 30.780 52.782 17.681 261 HG2 ARG 35 HG2 ARG 35 28.456 52.884 16.301 262 HG3 ARG 35 HG3 ARG 35 28.540 54.582 16.718 263 HD2 ARG 35 HD2 ARG 35 29.509 54.172 14.499 264 HD3 ARG 35 HD3 ARG 35 30.732 54.764 15.620 265 HE ARG 35 HE ARG 35 31.942 52.829 15.256 266 HH11 ARG 35 HH11 ARG 35 28.619 51.887 14.487 267 HH12 ARG 35 HH12 ARG 35 29.199 50.346 13.883 268 HH21 ARG 35 HH21 ARG 35 32.423 50.874 14.815 269 HH22 ARG 35 HH22 ARG 35 31.190 49.636 14.536 270 H GLU 36 H GLU 36 30.543 50.553 18.938 271 HA GLU 36 HA GLU 36 29.378 48.787 17.031 272 HB2 GLU 36 HB2 GLU 36 31.262 48.349 19.366 273 HB3 GLU 36 HB3 GLU 36 30.842 47.074 18.234 274 HG2 GLU 36 HG2 GLU 36 32.010 49.703 17.235 275 HG3 GLU 36 HG3 GLU 36 33.031 48.426 17.890 276 H LEU 37 H LEU 37 28.197 49.445 20.246 277 HA LEU 37 HA LEU 37 26.882 46.931 20.737 278 HB2 LEU 37 HB2 LEU 37 26.015 49.737 21.511 279 HB3 LEU 37 HB3 LEU 37 25.342 48.252 22.159 280 HG LEU 37 HG LEU 37 28.248 49.094 22.515 281 HD11 LEU 37 HD11 LEU 37 26.683 50.621 23.662 282 HD12 LEU 37 HD12 LEU 37 25.919 49.229 24.471 283 HD13 LEU 37 HD13 LEU 37 27.613 49.651 24.816 284 HD21 LEU 37 HD21 LEU 37 27.866 46.633 22.696 285 HD22 LEU 37 HD22 LEU 37 28.334 47.374 24.234 286 HD23 LEU 37 HD23 LEU 37 26.636 46.939 23.932 287 H GLU 38 H GLU 38 26.076 49.674 18.623 288 HA GLU 38 HA GLU 38 23.376 48.784 18.001 289 HB2 GLU 38 HB2 GLU 38 25.317 50.587 16.479 290 HB3 GLU 38 HB3 GLU 38 23.629 50.322 16.084 291 HG2 GLU 38 HG2 GLU 38 23.182 51.080 18.579 292 HG3 GLU 38 HG3 GLU 38 24.805 51.773 18.474 293 H ASP 39 H ASP 39 26.536 47.771 16.892 294 HA ASP 39 HA ASP 39 25.406 46.262 14.616 295 HB2 ASP 39 HB2 ASP 39 27.704 47.245 14.502 296 HB3 ASP 39 HB3 ASP 39 28.207 46.142 15.790 297 H ILE 40 H ILE 40 26.559 45.699 17.958 298 HA ILE 40 HA ILE 40 26.198 42.841 17.953 299 HB ILE 40 HB ILE 40 26.348 44.967 20.089 300 HG12 ILE 40 HG12 ILE 40 28.435 44.361 18.959 301 HG13 ILE 40 HG13 ILE 40 28.462 43.937 20.664 302 HG21 ILE 40 HG21 ILE 40 24.864 43.421 21.140 303 HG22 ILE 40 HG22 ILE 40 25.857 42.033 20.661 304 HG23 ILE 40 HG23 ILE 40 26.464 43.221 21.846 305 HD11 ILE 40 HD11 ILE 40 27.984 41.534 20.033 306 HD12 ILE 40 HD12 ILE 40 28.115 42.002 18.321 307 HD13 ILE 40 HD13 ILE 40 29.500 42.165 19.397 308 H GLU 41 H GLU 41 23.894 45.447 18.520 309 HA GLU 41 HA GLU 41 21.846 44.032 19.614 310 HB2 GLU 41 HB2 GLU 41 21.896 46.496 19.192 311 HB3 GLU 41 HB3 GLU 41 21.398 46.178 17.516 312 HG2 GLU 41 HG2 GLU 41 19.436 46.780 18.637 313 HG3 GLU 41 HG3 GLU 41 19.298 45.038 18.460 314 H1 GLY 0 H1 GLY 0 27.870 54.929 28.669 315 H2 GLY 0 H2 GLY 0 28.195 54.716 27.055 316 H3 GLY 0 H3 GLY 0 28.257 56.213 27.708 317 HA2 GLY 0 HA2 GLY 0 30.468 55.357 27.366 318 HA3 GLY 0 HA3 GLY 0 30.106 55.658 29.077 319 H MET 1 H MET 1 31.779 54.185 29.628 320 HA MET 1 HA MET 1 31.701 51.358 29.073 321 HB2 MET 1 HB2 MET 1 33.660 52.646 30.009 322 HB3 MET 1 HB3 MET 1 32.790 52.746 31.549 323 HG2 MET 1 HG2 MET 1 32.661 50.188 31.487 324 HG3 MET 1 HG3 MET 1 33.762 50.242 30.117 325 HE1 MET 1 HE1 MET 1 35.848 52.623 31.085 326 HE2 MET 1 HE2 MET 1 37.072 51.572 31.822 327 HE3 MET 1 HE3 MET 1 36.292 51.087 30.301 328 H ASP 2 H ASP 2 29.984 53.401 31.300 329 HA ASP 2 HA ASP 2 28.814 51.643 33.144 330 HB2 ASP 2 HB2 ASP 2 26.897 53.377 33.030 331 HB3 ASP 2 HB3 ASP 2 28.495 53.897 33.545 332 H ALA 3 H ALA 3 27.433 52.625 29.986 333 HA ALA 3 HA ALA 3 25.320 50.694 29.957 334 HB1 ALA 3 HB1 ALA 3 25.140 51.368 27.576 335 HB2 ALA 3 HB2 ALA 3 25.307 52.775 28.645 336 HB3 ALA 3 HB3 ALA 3 26.698 52.210 27.689 337 H ILE 4 H ILE 4 28.638 50.556 28.606 338 HA ILE 4 HA ILE 4 28.347 48.105 27.165 339 HB ILE 4 HB ILE 4 30.760 49.443 28.422 340 HG12 ILE 4 HG12 ILE 4 30.097 49.096 25.469 341 HG13 ILE 4 HG13 ILE 4 29.465 50.455 26.391 342 HG21 ILE 4 HG21 ILE 4 32.187 47.918 27.058 343 HG22 ILE 4 HG22 ILE 4 31.306 47.051 28.302 344 HG23 ILE 4 HG23 ILE 4 30.745 46.986 26.615 345 HD11 ILE 4 HD11 ILE 4 32.440 49.890 26.102 346 HD12 ILE 4 HD12 ILE 4 31.513 51.029 25.128 347 HD13 ILE 4 HD13 ILE 4 31.680 51.300 26.865 348 H LYS 5 H LYS 5 29.314 48.631 30.611 349 HA LYS 5 HA LYS 5 29.537 45.802 31.202 350 HB2 LYS 5 HB2 LYS 5 28.954 48.142 33.069 351 HB3 LYS 5 HB3 LYS 5 29.232 46.471 33.573 352 HG2 LYS 5 HG2 LYS 5 31.485 46.660 32.249 353 HG3 LYS 5 HG3 LYS 5 31.205 48.406 32.344 354 HD2 LYS 5 HD2 LYS 5 30.932 48.078 34.887 355 HD3 LYS 5 HD3 LYS 5 31.505 46.416 34.632 356 HE2 LYS 5 HE2 LYS 5 33.557 47.463 33.472 357 HE3 LYS 5 HE3 LYS 5 32.983 49.023 34.083 358 HZ1 LYS 5 HZ1 LYS 5 34.454 48.235 35.740 359 HZ2 LYS 5 HZ2 LYS 5 33.008 47.721 36.363 360 HZ3 LYS 5 HZ3 LYS 5 33.988 46.697 35.612 361 H LYS 6 H LYS 6 26.698 48.016 31.413 362 HA LYS 6 HA LYS 6 24.923 46.026 32.497 363 HB2 LYS 6 HB2 LYS 6 24.284 48.396 30.674 364 HB3 LYS 6 HB3 LYS 6 23.082 47.378 31.450 365 HG2 LYS 6 HG2 LYS 6 25.004 49.285 32.811 366 HG3 LYS 6 HG3 LYS 6 23.246 49.363 32.724 367 HD2 LYS 6 HD2 LYS 6 23.240 47.134 34.028 368 HD3 LYS 6 HD3 LYS 6 24.973 47.432 34.315 369 HE2 LYS 6 HE2 LYS 6 24.277 49.726 35.238 370 HE3 LYS 6 HE3 LYS 6 22.607 49.146 35.157 371 HZ1 LYS 6 HZ1 LYS 6 23.515 47.187 36.532 372 HZ2 LYS 6 HZ2 LYS 6 24.816 48.166 36.832 373 HZ3 LYS 6 HZ3 LYS 6 23.309 48.629 37.307 374 H LYS 7 H LYS 7 25.406 46.849 29.018 375 HA LYS 7 HA LYS 7 23.670 44.769 28.098 376 HB2 LYS 7 HB2 LYS 7 24.478 46.778 26.809 377 HB3 LYS 7 HB3 LYS 7 26.043 45.995 26.637 378 HG2 LYS 7 HG2 LYS 7 24.716 45.775 24.624 379 HG3 LYS 7 HG3 LYS 7 25.010 44.180 25.308 380 HD2 LYS 7 HD2 LYS 7 22.741 43.914 25.966 381 HD3 LYS 7 HD3 LYS 7 22.415 45.657 25.893 382 HE2 LYS 7 HE2 LYS 7 22.706 45.650 23.446 383 HE3 LYS 7 HE3 LYS 7 23.058 43.916 23.471 384 HZ1 LYS 7 HZ1 LYS 7 20.466 45.133 24.282 385 HZ2 LYS 7 HZ2 LYS 7 20.743 44.426 22.857 386 HZ3 LYS 7 HZ3 LYS 7 20.789 43.526 24.251 387 H MET 8 H MET 8 27.182 44.646 28.806 388 HA MET 8 HA MET 8 27.576 41.941 27.933 389 HB2 MET 8 HB2 MET 8 29.458 43.440 28.386 390 HB3 MET 8 HB3 MET 8 28.997 43.569 30.080 391 HG2 MET 8 HG2 MET 8 30.872 42.032 29.822 392 HG3 MET 8 HG3 MET 8 29.462 41.203 30.453 393 HE1 MET 8 HE1 MET 8 32.120 41.393 27.597 394 HE2 MET 8 HE2 MET 8 31.270 40.660 26.219 395 HE3 MET 8 HE3 MET 8 30.745 42.235 26.842 396 H GLN 9 H GLN 9 26.848 43.170 31.281 397 HA GLN 9 HA GLN 9 26.757 40.538 32.342 398 HB2 GLN 9 HB2 GLN 9 26.971 42.927 33.499 399 HB3 GLN 9 HB3 GLN 9 25.218 42.793 33.621 400 HG2 GLN 9 HG2 GLN 9 26.073 41.937 35.656 401 HG3 GLN 9 HG3 GLN 9 25.626 40.493 34.752 402 HE21 GLN 9 HE21 GLN 9 29.084 40.118 36.254 403 HE22 GLN 9 HE22 GLN 9 27.456 40.248 36.899 404 H MET 10 H MET 10 24.152 42.509 30.903 405 HA MET 10 HA MET 10 21.990 40.720 31.530 406 HB2 MET 10 HB2 MET 10 22.424 42.703 29.271 407 HB3 MET 10 HB3 MET 10 20.936 41.784 29.468 408 HG2 MET 10 HG2 MET 10 22.114 43.647 31.564 409 HG3 MET 10 HG3 MET 10 20.819 44.066 30.453 410 HE1 MET 10 HE1 MET 10 18.386 43.210 30.573 411 HE2 MET 10 HE2 MET 10 18.895 41.511 30.439 412 HE3 MET 10 HE3 MET 10 17.785 42.002 31.730 413 H LEU 11 H LEU 11 24.238 40.731 28.682 414 HA LEU 11 HA LEU 11 23.038 38.421 27.452 415 HB2 LEU 11 HB2 LEU 11 25.825 39.636 27.314 416 HB3 LEU 11 HB3 LEU 11 25.343 38.260 26.334 417 HG LEU 11 HG LEU 11 23.842 40.908 26.233 418 HD11 LEU 11 HD11 LEU 11 25.128 41.383 24.188 419 HD12 LEU 11 HD12 LEU 11 26.193 41.273 25.598 420 HD13 LEU 11 HD13 LEU 11 26.101 39.915 24.445 421 HD21 LEU 11 HD21 LEU 11 22.605 38.970 25.341 422 HD22 LEU 11 HD22 LEU 11 23.097 40.053 24.038 423 HD23 LEU 11 HD23 LEU 11 23.989 38.539 24.313 424 H LYS 12 H LYS 12 25.464 38.680 30.032 425 HA LYS 12 HA LYS 12 25.963 35.796 30.177 426 HB2 LYS 12 HB2 LYS 12 26.482 38.022 32.202 427 HB3 LYS 12 HB3 LYS 12 26.991 36.340 32.381 428 HG2 LYS 12 HG2 LYS 12 28.306 36.543 30.251 429 HG3 LYS 12 HG3 LYS 12 27.904 38.263 30.196 430 HD2 LYS 12 HD2 LYS 12 29.035 38.561 32.428 431 HD3 LYS 12 HD3 LYS 12 29.465 36.838 32.387 432 HE2 LYS 12 HE2 LYS 12 30.535 37.368 30.075 433 HE3 LYS 12 HE3 LYS 12 30.401 39.068 30.533 434 HZ1 LYS 12 HZ1 LYS 12 32.589 38.130 31.104 435 HZ2 LYS 12 HZ2 LYS 12 31.838 38.525 32.498 436 HZ3 LYS 12 HZ3 LYS 12 31.887 36.978 32.030 437 H LEU 13 H LEU 13 23.705 37.986 31.884 438 HA LEU 13 HA LEU 13 22.593 36.004 33.633 439 HB2 LEU 13 HB2 LEU 13 21.585 38.633 32.511 440 HB3 LEU 13 HB3 LEU 13 20.561 37.649 33.538 441 HG LEU 13 HG LEU 13 23.336 38.478 34.468 442 HD11 LEU 13 HD11 LEU 13 22.124 40.541 33.900 443 HD12 LEU 13 HD12 LEU 13 20.721 39.998 34.843 444 HD13 LEU 13 HD13 LEU 13 22.263 40.359 35.655 445 HD21 LEU 13 HD21 LEU 13 22.159 36.678 35.734 446 HD22 LEU 13 HD22 LEU 13 22.350 38.152 36.693 447 HD23 LEU 13 HD23 LEU 13 20.775 37.768 35.968 448 H ASP 14 H ASP 14 21.570 36.987 30.317 449 HA ASP 14 HA ASP 14 19.432 35.182 29.989 450 HB2 ASP 14 HB2 ASP 14 21.593 35.919 27.985 451 HB3 ASP 14 HB3 ASP 14 20.065 35.140 27.580 452 H ASN 15 H ASN 15 22.935 34.552 29.516 453 HA ASN 15 HA ASN 15 22.682 31.853 28.670 454 HB2 ASN 15 HB2 ASN 15 24.665 33.595 28.582 455 HB3 ASN 15 HB3 ASN 15 25.115 32.917 30.145 456 HD21 ASN 15 HD21 ASN 15 25.584 30.746 26.685 457 HD22 ASN 15 HD22 ASN 15 24.371 32.039 26.744 458 H TYR 16 H TYR 16 23.268 33.179 31.991 459 HA TYR 16 HA TYR 16 23.260 30.660 33.362 460 HB2 TYR 16 HB2 TYR 16 22.294 33.398 34.287 461 HB3 TYR 16 HB3 TYR 16 22.491 32.011 35.338 462 HD1 TYR 16 HD1 TYR 16 23.729 34.905 35.364 463 HD2 TYR 16 HD2 TYR 16 25.216 30.990 34.338 464 HE1 TYR 16 HE1 TYR 16 26.003 35.588 36.085 465 HE2 TYR 16 HE2 TYR 16 27.504 31.691 35.025 466 HH TYR 16 HH TYR 16 28.149 34.910 36.435 467 H HIS 17 H HIS 17 20.502 32.858 32.597 468 HA HIS 17 HA HIS 17 18.503 31.321 33.963 469 HB2 HIS 17 HB2 HIS 17 18.277 33.695 33.228 470 HB3 HIS 17 HB3 HIS 17 18.222 33.167 31.548 471 HD2 HIS 17 HD2 HIS 17 15.956 31.880 30.735 472 HE1 HIS 17 HE1 HIS 17 13.647 32.617 34.240 473 HE2 HIS 17 HE2 HIS 17 13.564 31.780 31.843 474 H LEU 18 H LEU 18 19.556 31.268 30.547 475 HA LEU 18 HA LEU 18 17.719 29.211 29.728 476 HB2 LEU 18 HB2 LEU 18 20.330 30.278 28.612 477 HB3 LEU 18 HB3 LEU 18 19.381 29.033 27.801 478 HG LEU 18 HG LEU 18 18.191 31.745 28.510 479 HD11 LEU 18 HD11 LEU 18 19.453 30.936 25.857 480 HD12 LEU 18 HD12 LEU 18 18.643 32.468 26.232 481 HD13 LEU 18 HD13 LEU 18 20.169 32.064 27.030 482 HD21 LEU 18 HD21 LEU 18 16.560 29.968 27.982 483 HD22 LEU 18 HD22 LEU 18 16.608 31.182 26.697 484 HD23 LEU 18 HD23 LEU 18 17.416 29.619 26.464 485 H GLU 19 H GLU 19 21.182 28.958 30.856 486 HA GLU 19 HA GLU 19 21.198 26.092 30.514 487 HB2 GLU 19 HB2 GLU 19 22.922 27.896 32.263 488 HB3 GLU 19 HB3 GLU 19 23.113 26.141 32.139 489 HG2 GLU 19 HG2 GLU 19 23.150 26.570 29.548 490 HG3 GLU 19 HG3 GLU 19 23.594 28.212 29.983 491 H ASN 20 H ASN 20 20.013 28.081 33.229 492 HA ASN 20 HA ASN 20 19.507 25.813 34.954 493 HB2 ASN 20 HB2 ASN 20 18.419 28.650 34.849 494 HB3 ASN 20 HB3 ASN 20 17.872 27.478 36.041 495 HD21 ASN 20 HD21 ASN 20 20.646 29.496 37.510 496 HD22 ASN 20 HD22 ASN 20 19.134 29.936 36.738 497 H GLU 21 H GLU 21 17.362 27.455 32.534 498 HA GLU 21 HA GLU 21 15.116 25.699 33.020 499 HB2 GLU 21 HB2 GLU 21 14.847 27.865 31.943 500 HB3 GLU 21 HB3 GLU 21 15.912 27.385 30.629 501 HG2 GLU 21 HG2 GLU 21 13.673 27.354 29.825 502 HG3 GLU 21 HG3 GLU 21 14.264 25.706 29.865 503 H VAL 22 H VAL 22 17.830 25.497 30.678 504 HA VAL 22 HA VAL 22 17.058 23.051 29.406 505 HB VAL 22 HB VAL 22 19.765 24.340 29.911 506 HG11 VAL 22 HG11 VAL 22 20.714 22.802 28.224 507 HG12 VAL 22 HG12 VAL 22 20.231 21.939 29.688 508 HG13 VAL 22 HG13 VAL 22 19.202 21.883 28.230 509 HG21 VAL 22 HG21 VAL 22 18.257 25.459 28.292 510 HG22 VAL 22 HG22 VAL 22 19.656 24.773 27.474 511 HG23 VAL 22 HG23 VAL 22 18.083 23.949 27.385 512 H ALA 23 H ALA 23 19.021 23.568 32.395 513 HA ALA 23 HA ALA 23 19.403 20.791 32.938 514 HB1 ALA 23 HB1 ALA 23 19.962 21.558 35.207 515 HB2 ALA 23 HB2 ALA 23 20.727 22.580 33.972 516 HB3 ALA 23 HB3 ALA 23 19.291 23.168 34.846 517 H ARG 24 H ARG 24 16.782 23.030 34.065 518 HA ARG 24 HA ARG 24 15.344 21.195 35.684 519 HB2 ARG 24 HB2 ARG 24 14.847 23.642 35.515 520 HB3 ARG 24 HB3 ARG 24 14.219 23.393 33.883 521 HG2 ARG 24 HG2 ARG 24 12.490 21.785 34.888 522 HG3 ARG 24 HG3 ARG 24 13.092 22.256 36.477 523 HD2 ARG 24 HD2 ARG 24 11.144 23.563 36.065 524 HD3 ARG 24 HD3 ARG 24 12.515 24.655 35.876 525 HE ARG 24 HE ARG 24 12.042 24.897 33.595 526 HH11 ARG 24 HH11 ARG 24 9.875 22.259 34.766 527 HH12 ARG 24 HH12 ARG 24 8.958 22.421 33.275 528 HH21 ARG 24 HH21 ARG 24 10.762 24.806 31.790 529 HH22 ARG 24 HH22 ARG 24 9.386 23.674 31.793 530 H LEU 25 H LEU 25 14.908 21.814 32.179 531 HA LEU 25 HA LEU 25 12.866 19.820 31.875 532 HB2 LEU 25 HB2 LEU 25 14.769 21.049 29.856 533 HB3 LEU 25 HB3 LEU 25 13.357 20.061 29.453 534 HG LEU 25 HG LEU 25 13.026 22.598 31.096 535 HD11 LEU 25 HD11 LEU 25 14.256 23.191 29.028 536 HD12 LEU 25 HD12 LEU 25 12.982 22.406 28.060 537 HD13 LEU 25 HD13 LEU 25 12.613 23.830 29.060 538 HD21 LEU 25 HD21 LEU 25 10.779 22.547 30.063 539 HD22 LEU 25 HD22 LEU 25 11.195 21.048 29.211 540 HD23 LEU 25 HD23 LEU 25 11.097 21.073 30.987 541 H LYS 26 H LYS 26 16.446 19.567 31.429 542 HA LYS 26 HA LYS 26 16.395 16.852 30.480 543 HB2 LYS 26 HB2 LYS 26 18.543 18.474 31.881 544 HB3 LYS 26 HB3 LYS 26 18.786 16.787 31.399 545 HG2 LYS 26 HG2 LYS 26 18.271 17.333 29.047 546 HG3 LYS 26 HG3 LYS 26 17.997 19.021 29.492 547 HD2 LYS 26 HD2 LYS 26 20.382 19.058 30.397 548 HD3 LYS 26 HD3 LYS 26 20.633 17.481 29.627 549 HE2 LYS 26 HE2 LYS 26 19.584 19.938 28.165 550 HE3 LYS 26 HE3 LYS 26 21.312 19.630 28.321 551 HZ1 LYS 26 HZ1 LYS 26 21.083 17.683 26.981 552 HZ2 LYS 26 HZ2 LYS 26 19.465 17.667 27.042 553 HZ3 LYS 26 HZ3 LYS 26 20.202 18.855 26.217 554 H LYS 27 H LYS 27 16.298 18.064 33.853 555 HA LYS 27 HA LYS 27 16.645 15.526 35.135 556 HB2 LYS 27 HB2 LYS 27 14.905 17.886 35.980 557 HB3 LYS 27 HB3 LYS 27 15.232 16.475 36.982 558 HG2 LYS 27 HG2 LYS 27 17.665 16.970 36.920 559 HG3 LYS 27 HG3 LYS 27 17.336 18.413 35.965 560 HD2 LYS 27 HD2 LYS 27 15.819 19.215 37.835 561 HD3 LYS 27 HD3 LYS 27 16.411 17.851 38.812 562 HE2 LYS 27 HE2 LYS 27 18.750 18.682 38.517 563 HE3 LYS 27 HE3 LYS 27 18.137 20.010 37.520 564 HZ1 LYS 27 HZ1 LYS 27 18.480 20.813 39.693 565 HZ2 LYS 27 HZ2 LYS 27 16.842 20.738 39.495 566 HZ3 LYS 27 HZ3 LYS 27 17.628 19.626 40.421 567 H LEU 28 H LEU 28 13.743 16.845 33.566 568 HA LEU 28 HA LEU 28 11.947 14.828 34.601 569 HB2 LEU 28 HB2 LEU 28 11.690 16.572 32.120 570 HB3 LEU 28 HB3 LEU 28 10.382 15.703 32.911 571 HG LEU 28 HG LEU 28 11.967 17.984 34.180 572 HD11 LEU 28 HD11 LEU 28 9.939 19.316 33.828 573 HD12 LEU 28 HD12 LEU 28 10.595 18.741 32.289 574 HD13 LEU 28 HD13 LEU 28 9.166 17.949 32.995 575 HD21 LEU 28 HD21 LEU 28 9.430 16.562 35.099 576 HD22 LEU 28 HD22 LEU 28 11.024 16.462 35.883 577 HD23 LEU 28 HD23 LEU 28 10.152 17.997 35.857 578 H VAL 29 H VAL 29 13.986 14.961 31.708 579 HA VAL 29 HA VAL 29 12.872 12.359 30.751 580 HB VAL 29 HB VAL 29 14.029 12.877 28.626 581 HG11 VAL 29 HG11 VAL 29 12.083 15.006 29.600 582 HG12 VAL 29 HG12 VAL 29 12.449 14.615 27.912 583 HG13 VAL 29 HG13 VAL 29 11.656 13.412 28.943 584 HG21 VAL 29 HG21 VAL 29 14.465 15.675 29.736 585 HG22 VAL 29 HG22 VAL 29 15.759 14.469 29.602 586 HG23 VAL 29 HG23 VAL 29 14.926 15.046 28.148 587 H GLY 30 H GLY 30 15.537 13.386 32.553 588 HA2 GLY 30 HA2 GLY 30 17.332 12.218 33.377 589 HA3 GLY 30 HA3 GLY 30 16.751 10.763 32.557 590 H GLU 31 H GLU 31 17.229 13.443 30.463 591 HA GLU 31 HA GLU 31 19.018 11.942 28.834 592 HB2 GLU 31 HB2 GLU 31 17.286 13.549 28.038 593 HB3 GLU 31 HB3 GLU 31 18.272 14.881 28.651 594 HG2 GLU 31 HG2 GLU 31 20.111 14.097 27.061 595 HG3 GLU 31 HG3 GLU 31 18.955 12.936 26.402 596 H ARG 32 H ARG 32 21.168 12.034 28.424 597 HA ARG 32 HA ARG 32 22.781 13.550 30.412 598 HB2 ARG 32 HB2 ARG 32 22.331 11.081 30.755 599 HB3 ARG 32 HB3 ARG 32 23.391 10.774 29.365 600 HG2 ARG 32 HG2 ARG 32 25.231 11.994 30.517 601 HG3 ARG 32 HG3 ARG 32 24.133 12.381 31.859 602 HD2 ARG 32 HD2 ARG 32 23.836 9.918 32.259 603 HD3 ARG 32 HD3 ARG 32 25.056 9.622 31.008 604 HE ARG 32 HE ARG 32 25.533 11.199 33.518 605 HH11 ARG 32 HH11 ARG 32 26.943 8.862 31.239 606 HH12 ARG 32 HH12 ARG 32 28.524 9.157 31.970 607 HH21 ARG 32 HH21 ARG 32 27.415 11.367 34.298 608 HH22 ARG 32 HH22 ARG 32 28.767 10.388 33.695 609 H1 GLY 0 H1 GLY 0 43.080 47.849 21.083 610 H2 GLY 0 H2 GLY 0 43.779 47.280 19.710 611 H3 GLY 0 H3 GLY 0 43.284 46.227 20.876 612 HA2 GLY 0 HA2 GLY 0 41.499 47.999 19.354 613 HA3 GLY 0 HA3 GLY 0 41.728 46.266 19.011 614 H MET 1 H MET 1 39.326 47.924 20.029 615 HA MET 1 HA MET 1 38.725 46.863 22.655 616 HB2 MET 1 HB2 MET 1 36.496 47.769 22.251 617 HB3 MET 1 HB3 MET 1 37.760 48.932 21.917 618 HG2 MET 1 HG2 MET 1 36.126 49.220 20.235 619 HG3 MET 1 HG3 MET 1 37.519 48.478 19.472 620 HE1 MET 1 HE1 MET 1 36.692 47.397 17.361 621 HE2 MET 1 HE2 MET 1 35.031 46.801 17.164 622 HE3 MET 1 HE3 MET 1 35.316 48.498 17.606 623 H ASP 2 H ASP 2 39.046 45.062 19.929 624 HA ASP 2 HA ASP 2 36.523 44.047 19.340 625 HB2 ASP 2 HB2 ASP 2 37.724 42.359 18.037 626 HB3 ASP 2 HB3 ASP 2 38.409 43.965 17.807 627 H ALA 3 H ALA 3 38.806 42.794 21.773 628 HA ALA 3 HA ALA 3 37.771 40.217 22.129 629 HB1 ALA 3 HB1 ALA 3 39.836 41.055 23.164 630 HB2 ALA 3 HB2 ALA 3 38.897 42.146 24.210 631 HB3 ALA 3 HB3 ALA 3 38.750 40.386 24.396 632 H ILE 4 H ILE 4 36.471 43.270 23.529 633 HA ILE 4 HA ILE 4 34.481 41.857 25.143 634 HB ILE 4 HB ILE 4 34.688 44.802 24.406 635 HG12 ILE 4 HG12 ILE 4 35.165 44.657 27.101 636 HG13 ILE 4 HG13 ILE 4 35.837 43.105 26.627 637 HG21 ILE 4 HG21 ILE 4 33.085 45.152 26.279 638 HG22 ILE 4 HG22 ILE 4 32.358 44.228 24.970 639 HG23 ILE 4 HG23 ILE 4 32.911 43.398 26.445 640 HD11 ILE 4 HD11 ILE 4 37.504 44.967 26.686 641 HD12 ILE 4 HD12 ILE 4 37.379 44.274 25.058 642 HD13 ILE 4 HD13 ILE 4 36.579 45.817 25.438 643 H LYS 5 H LYS 5 34.406 43.575 21.985 644 HA LYS 5 HA LYS 5 31.627 43.123 21.439 645 HB2 LYS 5 HB2 LYS 5 33.181 44.700 20.196 646 HB3 LYS 5 HB3 LYS 5 33.882 43.287 19.385 647 HG2 LYS 5 HG2 LYS 5 31.574 42.695 18.559 648 HG3 LYS 5 HG3 LYS 5 30.960 44.167 19.337 649 HD2 LYS 5 HD2 LYS 5 32.441 45.511 17.812 650 HD3 LYS 5 HD3 LYS 5 32.933 44.001 17.020 651 HE2 LYS 5 HE2 LYS 5 30.496 43.492 16.590 652 HE3 LYS 5 HE3 LYS 5 30.072 45.083 17.236 653 HZ1 LYS 5 HZ1 LYS 5 31.179 46.124 15.410 654 HZ2 LYS 5 HZ2 LYS 5 31.917 44.754 14.937 655 HZ3 LYS 5 HZ3 LYS 5 30.281 44.926 14.754 656 H LYS 6 H LYS 6 34.491 41.095 20.810 657 HA LYS 6 HA LYS 6 33.154 38.904 19.532 658 HB2 LYS 6 HB2 LYS 6 35.744 39.139 21.104 659 HB3 LYS 6 HB3 LYS 6 35.206 37.612 20.392 660 HG2 LYS 6 HG2 LYS 6 35.242 38.480 18.177 661 HG3 LYS 6 HG3 LYS 6 35.436 40.146 18.717 662 HD2 LYS 6 HD2 LYS 6 37.684 39.668 19.573 663 HD3 LYS 6 HD3 LYS 6 37.503 37.950 19.143 664 HE2 LYS 6 HE2 LYS 6 37.199 38.582 16.763 665 HE3 LYS 6 HE3 LYS 6 37.376 40.294 17.190 666 HZ1 LYS 6 HZ1 LYS 6 39.612 39.916 17.833 667 HZ2 LYS 6 HZ2 LYS 6 39.456 38.260 17.661 668 HZ3 LYS 6 HZ3 LYS 6 39.414 39.215 16.337 669 H LYS 7 H LYS 7 33.938 39.292 23.067 670 HA LYS 7 HA LYS 7 32.518 36.927 23.857 671 HB2 LYS 7 HB2 LYS 7 33.104 39.509 25.358 672 HB3 LYS 7 HB3 LYS 7 32.210 38.160 26.070 673 HG2 LYS 7 HG2 LYS 7 34.197 36.660 25.473 674 HG3 LYS 7 HG3 LYS 7 35.099 38.144 25.117 675 HD2 LYS 7 HD2 LYS 7 34.635 38.934 27.464 676 HD3 LYS 7 HD3 LYS 7 33.769 37.418 27.770 677 HE2 LYS 7 HE2 LYS 7 35.932 36.197 27.146 678 HE3 LYS 7 HE3 LYS 7 36.739 37.774 27.193 679 HZ1 LYS 7 HZ1 LYS 7 35.905 37.948 29.557 680 HZ2 LYS 7 HZ2 LYS 7 35.307 36.434 29.423 681 HZ3 LYS 7 HZ3 LYS 7 36.914 36.649 29.336 682 H MET 8 H MET 8 31.188 40.249 23.403 683 HA MET 8 HA MET 8 28.505 39.547 24.132 684 HB2 MET 8 HB2 MET 8 29.533 41.680 22.215 685 HB3 MET 8 HB3 MET 8 27.848 41.505 22.713 686 HG2 MET 8 HG2 MET 8 28.504 41.821 25.073 687 HG3 MET 8 HG3 MET 8 30.180 42.068 24.569 688 HE1 MET 8 HE1 MET 8 28.762 45.615 25.752 689 HE2 MET 8 HE2 MET 8 28.261 44.024 26.351 690 HE3 MET 8 HE3 MET 8 29.986 44.369 26.073 691 H GLN 9 H GLN 9 30.026 39.536 20.851 692 HA GLN 9 HA GLN 9 27.704 38.617 19.479 693 HB2 GLN 9 HB2 GLN 9 29.560 39.677 18.327 694 HB3 GLN 9 HB3 GLN 9 30.671 38.417 18.854 695 HG2 GLN 9 HG2 GLN 9 30.160 38.105 16.524 696 HG3 GLN 9 HG3 GLN 9 29.505 36.754 17.430 697 HE21 GLN 9 HE21 GLN 9 26.120 37.538 16.511 698 HE22 GLN 9 HE22 GLN 9 27.065 36.766 17.805 699 H MET 10 H MET 10 30.373 36.749 21.010 700 HA MET 10 HA MET 10 29.386 34.180 20.146 701 HB2 MET 10 HB2 MET 10 31.265 34.973 22.400 702 HB3 MET 10 HB3 MET 10 30.880 33.298 21.962 703 HG2 MET 10 HG2 MET 10 31.630 33.752 19.627 704 HG3 MET 10 HG3 MET 10 32.153 35.355 20.111 705 HE1 MET 10 HE1 MET 10 35.158 34.473 22.566 706 HE2 MET 10 HE2 MET 10 34.166 35.784 21.885 707 HE3 MET 10 HE3 MET 10 33.470 34.652 23.072 708 H LEU 11 H LEU 11 28.824 36.031 23.224 709 HA LEU 11 HA LEU 11 27.069 34.086 24.377 710 HB2 LEU 11 HB2 LEU 11 27.255 37.109 24.639 711 HB3 LEU 11 HB3 LEU 11 26.090 36.159 25.555 712 HG LEU 11 HG LEU 11 29.074 35.579 25.697 713 HD11 LEU 11 HD11 LEU 11 29.121 36.898 27.760 714 HD12 LEU 11 HD12 LEU 11 28.663 37.922 26.394 715 HD13 LEU 11 HD13 LEU 11 27.420 37.363 27.537 716 HD21 LEU 11 HD21 LEU 11 26.742 34.954 27.570 717 HD22 LEU 11 HD22 LEU 11 27.572 33.784 26.525 718 HD23 LEU 11 HD23 LEU 11 28.448 34.546 27.857 719 H LYS 12 H LYS 12 26.261 36.858 22.210 720 HA LYS 12 HA LYS 12 23.462 36.447 22.104 721 HB2 LYS 12 HB2 LYS 12 24.727 38.402 21.180 722 HB3 LYS 12 HB3 LYS 12 25.309 37.381 19.857 723 HG2 LYS 12 HG2 LYS 12 22.909 37.001 19.160 724 HG3 LYS 12 HG3 LYS 12 22.405 38.104 20.458 725 HD2 LYS 12 HD2 LYS 12 23.821 39.886 19.382 726 HD3 LYS 12 HD3 LYS 12 24.158 38.761 18.044 727 HE2 LYS 12 HE2 LYS 12 21.677 38.583 17.635 728 HE3 LYS 12 HE3 LYS 12 21.416 39.756 18.938 729 HZ1 LYS 12 HZ1 LYS 12 22.682 40.274 16.322 730 HZ2 LYS 12 HZ2 LYS 12 21.417 41.069 17.075 731 HZ3 LYS 12 HZ3 LYS 12 22.916 41.264 17.627 732 H LEU 13 H LEU 13 25.994 34.833 20.218 733 HA LEU 13 HA LEU 13 24.164 33.246 18.610 734 HB2 LEU 13 HB2 LEU 13 26.398 33.896 17.836 735 HB3 LEU 13 HB3 LEU 13 27.147 33.049 19.187 736 HG LEU 13 HG LEU 13 26.375 30.875 18.296 737 HD11 LEU 13 HD11 LEU 13 24.330 31.488 17.114 738 HD12 LEU 13 HD12 LEU 13 25.231 32.571 16.033 739 HD13 LEU 13 HD13 LEU 13 25.464 30.819 15.934 740 HD21 LEU 13 HD21 LEU 13 27.840 30.824 16.322 741 HD22 LEU 13 HD22 LEU 13 27.805 32.599 16.235 742 HD23 LEU 13 HD23 LEU 13 28.565 31.784 17.621 743 H ASP 14 H ASP 14 26.109 32.586 21.571 744 HA ASP 14 HA ASP 14 25.442 29.846 21.842 745 HB2 ASP 14 HB2 ASP 14 27.200 31.302 23.080 746 HB3 ASP 14 HB3 ASP 14 25.890 31.762 24.172 747 H ASN 15 H ASN 15 23.802 32.749 23.123 748 HA ASN 15 HA ASN 15 21.682 31.408 24.458 749 HB2 ASN 15 HB2 ASN 15 21.876 34.215 23.318 750 HB3 ASN 15 HB3 ASN 15 20.587 33.651 24.385 751 HD21 ASN 15 HD21 ASN 15 23.139 35.342 26.491 752 HD22 ASN 15 HD22 ASN 15 22.090 35.825 25.152 753 H TYR 16 H TYR 16 22.034 32.170 20.996 754 HA TYR 16 HA TYR 16 19.273 31.492 20.307 755 HB2 TYR 16 HB2 TYR 16 20.355 32.882 18.767 756 HB3 TYR 16 HB3 TYR 16 21.827 31.943 18.767 757 HD1 TYR 16 HD1 TYR 16 22.140 29.996 17.369 758 HD2 TYR 16 HD2 TYR 16 18.362 32.084 17.449 759 HE1 TYR 16 HE1 TYR 16 21.442 28.819 15.289 760 HE2 TYR 16 HE2 TYR 16 17.673 30.910 15.360 761 HH TYR 16 HH TYR 16 18.177 29.164 13.921 762 H HIS 17 H HIS 17 22.364 29.627 20.378 763 HA HIS 17 HA HIS 17 21.135 27.142 19.497 764 HB2 HIS 17 HB2 HIS 17 23.659 27.671 21.109 765 HB3 HIS 17 HB3 HIS 17 23.146 26.078 20.547 766 HD2 HIS 17 HD2 HIS 17 25.093 29.050 19.414 767 HE1 HIS 17 HE1 HIS 17 24.207 26.940 15.820 768 HE2 HIS 17 HE2 HIS 17 25.561 28.841 16.830 769 H LEU 18 H LEU 18 21.622 28.593 22.721 770 HA LEU 18 HA LEU 18 20.425 26.479 24.242 771 HB2 LEU 18 HB2 LEU 18 20.871 29.439 24.636 772 HB3 LEU 18 HB3 LEU 18 19.957 28.523 25.812 773 HG LEU 18 HG LEU 18 22.744 27.638 24.989 774 HD11 LEU 18 HD11 LEU 18 23.589 28.826 26.997 775 HD12 LEU 18 HD12 LEU 18 22.959 29.946 25.788 776 HD13 LEU 18 HD13 LEU 18 22.000 29.567 27.230 777 HD21 LEU 18 HD21 LEU 18 21.356 26.010 26.223 778 HD22 LEU 18 HD22 LEU 18 22.674 26.607 27.251 779 HD23 LEU 18 HD23 LEU 18 21.035 27.217 27.488 780 H GLU 19 H GLU 19 18.856 29.440 22.809 781 HA GLU 19 HA GLU 19 16.260 28.878 23.774 782 HB2 GLU 19 HB2 GLU 19 16.896 31.006 22.782 783 HB3 GLU 19 HB3 GLU 19 17.129 30.252 21.198 784 HG2 GLU 19 HG2 GLU 19 14.739 29.720 21.047 785 HG3 GLU 19 HG3 GLU 19 14.469 30.327 22.682 786 H ASN 20 H ASN 20 17.870 27.612 20.864 787 HA ASN 20 HA ASN 20 15.601 26.046 19.937 788 HB2 ASN 20 HB2 ASN 20 18.584 26.078 19.329 789 HB3 ASN 20 HB3 ASN 20 17.514 24.846 18.664 790 HD21 ASN 20 HD21 ASN 20 17.402 28.529 17.027 791 HD22 ASN 20 HD22 ASN 20 18.360 28.283 18.482 792 H GLU 21 H GLU 21 18.417 25.228 22.051 793 HA GLU 21 HA GLU 21 17.650 22.469 22.350 794 HB2 GLU 21 HB2 GLU 21 19.916 23.251 22.805 795 HB3 GLU 21 HB3 GLU 21 19.331 24.325 24.066 796 HG2 GLU 21 HG2 GLU 21 20.404 22.449 25.076 797 HG3 GLU 21 HG3 GLU 21 18.697 22.409 25.466 798 H VAL 22 H VAL 22 16.791 25.382 24.271 799 HA VAL 22 HA VAL 22 15.102 24.043 26.181 800 HB VAL 22 HB VAL 22 15.039 26.876 25.073 801 HG11 VAL 22 HG11 VAL 22 13.570 27.432 27.016 802 HG12 VAL 22 HG12 VAL 22 12.761 26.408 25.833 803 HG13 VAL 22 HG13 VAL 22 13.378 25.694 27.345 804 HG21 VAL 22 HG21 VAL 22 15.920 27.459 27.302 805 HG22 VAL 22 HG22 VAL 22 15.879 25.750 27.784 806 HG23 VAL 22 HG23 VAL 22 16.983 26.300 26.504 807 H ALA 23 H ALA 23 14.350 25.393 22.907 808 HA ALA 23 HA ALA 23 11.592 24.709 22.966 809 HB1 ALA 23 HB1 ALA 23 13.473 24.898 20.570 810 HB2 ALA 23 HB2 ALA 23 11.702 24.950 20.522 811 HB3 ALA 23 HB3 ALA 23 12.598 26.249 21.320 812 H ARG 24 H ARG 24 14.383 22.780 21.715 813 HA ARG 24 HA ARG 24 12.932 20.444 20.966 814 HB2 ARG 24 HB2 ARG 24 15.352 20.922 20.450 815 HB3 ARG 24 HB3 ARG 24 15.747 20.618 22.144 816 HG2 ARG 24 HG2 ARG 24 14.756 18.263 21.843 817 HG3 ARG 24 HG3 ARG 24 14.588 18.644 20.129 818 HD2 ARG 24 HD2 ARG 24 16.616 17.393 20.384 819 HD3 ARG 24 HD3 ARG 24 17.080 19.062 20.054 820 HE ARG 24 HE ARG 24 17.945 19.288 22.231 821 HH11 ARG 24 HH11 ARG 24 16.309 16.137 22.163 822 HH12 ARG 24 HH12 ARG 24 17.104 15.695 23.681 823 HH21 ARG 24 HH21 ARG 24 18.771 18.615 24.088 824 HH22 ARG 24 HH22 ARG 24 18.359 17.022 24.730 825 H LEU 25 H LEU 25 14.452 21.213 24.118 826 HA LEU 25 HA LEU 25 13.630 18.779 25.387 827 HB2 LEU 25 HB2 LEU 25 14.523 21.488 26.418 828 HB3 LEU 25 HB3 LEU 25 14.167 20.136 27.485 829 HG LEU 25 HG LEU 25 16.243 19.917 25.278 830 HD11 LEU 25 HD11 LEU 25 17.907 20.339 26.994 831 HD12 LEU 25 HD12 LEU 25 16.826 21.730 26.868 832 HD13 LEU 25 HD13 LEU 25 16.642 20.598 28.226 833 HD21 LEU 25 HD21 LEU 25 15.711 18.298 27.815 834 HD22 LEU 25 HD22 LEU 25 15.436 17.754 26.144 835 HD23 LEU 25 HD23 LEU 25 17.075 18.067 26.705 836 H LYS 26 H LYS 26 12.069 22.046 25.461 837 HA LYS 26 HA LYS 26 9.885 21.314 27.169 838 HB2 LYS 26 HB2 LYS 26 10.208 23.395 24.966 839 HB3 LYS 26 HB3 LYS 26 8.677 23.163 25.809 840 HG2 LYS 26 HG2 LYS 26 9.820 23.550 27.997 841 HG3 LYS 26 HG3 LYS 26 11.318 23.926 27.119 842 HD2 LYS 26 HD2 LYS 26 10.265 25.802 25.997 843 HD3 LYS 26 HD3 LYS 26 8.679 25.356 26.654 844 HE2 LYS 26 HE2 LYS 26 9.539 25.772 28.966 845 HE3 LYS 26 HE3 LYS 26 11.071 26.322 28.294 846 HZ1 LYS 26 HZ1 LYS 26 8.430 27.500 27.606 847 HZ2 LYS 26 HZ2 LYS 26 9.420 28.164 28.729 848 HZ3 LYS 26 HZ3 LYS 26 9.887 28.092 27.155 849 H LYS 27 H LYS 27 10.185 21.049 23.614 850 HA LYS 27 HA LYS 27 7.534 19.931 23.242 851 HB2 LYS 27 HB2 LYS 27 10.028 19.908 21.500 852 HB3 LYS 27 HB3 LYS 27 8.430 19.355 20.976 853 HG2 LYS 27 HG2 LYS 27 7.463 21.568 21.306 854 HG3 LYS 27 HG3 LYS 27 8.944 22.181 22.017 855 HD2 LYS 27 HD2 LYS 27 10.125 21.587 19.813 856 HD3 LYS 27 HD3 LYS 27 8.503 21.315 19.144 857 HE2 LYS 27 HE2 LYS 27 7.945 23.695 19.986 858 HE3 LYS 27 HE3 LYS 27 9.681 23.887 20.290 859 HZ1 LYS 27 HZ1 LYS 27 8.345 23.354 17.709 860 HZ2 LYS 27 HZ2 LYS 27 9.163 24.698 18.069 861 HZ3 LYS 27 HZ3 LYS 27 9.992 23.276 17.880 862 H LEU 28 H LEU 28 10.710 18.368 23.774 863 HA LEU 28 HA LEU 28 9.736 15.670 23.506 864 HB2 LEU 28 HB2 LEU 28 12.115 16.339 23.361 865 HB3 LEU 28 HB3 LEU 28 12.081 16.851 25.046 866 HG LEU 28 HG LEU 28 11.634 14.481 25.738 867 HD11 LEU 28 HD11 LEU 28 12.091 12.680 24.097 868 HD12 LEU 28 HD12 LEU 28 10.637 13.582 23.680 869 HD13 LEU 28 HD13 LEU 28 12.152 13.881 22.790 870 HD21 LEU 28 HD21 LEU 28 13.915 15.435 25.719 871 HD22 LEU 28 HD22 LEU 28 13.923 13.708 25.336 872 HD23 LEU 28 HD23 LEU 28 14.124 14.899 24.036 873 H VAL 29 H VAL 29 9.998 17.840 26.333 874 HA VAL 29 HA VAL 29 8.876 16.008 28.273 875 HB VAL 29 HB VAL 29 9.275 19.016 28.156 876 HG11 VAL 29 HG11 VAL 29 8.760 19.131 30.571 877 HG12 VAL 29 HG12 VAL 29 7.332 18.753 29.618 878 HG13 VAL 29 HG13 VAL 29 8.153 17.459 30.519 879 HG21 VAL 29 HG21 VAL 29 11.276 17.518 28.450 880 HG22 VAL 29 HG22 VAL 29 10.988 18.560 29.846 881 HG23 VAL 29 HG23 VAL 29 10.519 16.849 29.908 882 H GLY 30 H GLY 30 7.382 18.242 25.951 883 HA2 GLY 30 HA2 GLY 30 5.127 18.399 25.330 884 HA3 GLY 30 HA3 GLY 30 4.669 17.252 26.596 885 H GLU 31 H GLU 31 6.644 20.171 27.008 886 HA GLU 31 HA GLU 31 5.061 21.222 29.202 887 HB2 GLU 31 HB2 GLU 31 7.610 21.356 28.801 888 HB3 GLU 31 HB3 GLU 31 7.247 22.585 27.603 889 HG2 GLU 31 HG2 GLU 31 7.921 23.729 29.542 890 HG3 GLU 31 HG3 GLU 31 6.183 23.960 29.472 891 H ARG 32 H ARG 32 4.211 23.497 29.189 892 HA ARG 32 HA ARG 32 2.472 23.910 26.805 893 HB2 ARG 32 HB2 ARG 32 2.204 24.777 29.713 894 HB3 ARG 32 HB3 ARG 32 1.161 25.357 28.426 895 HG2 ARG 32 HG2 ARG 32 -0.115 23.660 29.230 896 HG3 ARG 32 HG3 ARG 32 0.680 22.878 27.867 897 HD2 ARG 32 HD2 ARG 32 2.340 21.882 29.505 898 HD3 ARG 32 HD3 ARG 32 1.421 22.608 30.824 899 HE ARG 32 HE ARG 32 0.770 20.239 29.233 900 HH11 ARG 32 HH11 ARG 32 -0.908 22.720 31.113 901 HH12 ARG 32 HH12 ARG 32 -2.178 21.563 31.517 902 HH21 ARG 32 HH21 ARG 32 -0.764 18.881 30.110 903 HH22 ARG 32 HH22 ARG 32 -2.121 19.607 30.960 Start of MODEL 8 1 H1 SER 2 H1 SER 2 29.172 2.970 42.373 2 H2 SER 2 H2 SER 2 30.482 2.924 41.390 3 H3 SER 2 H3 SER 2 28.990 3.208 40.764 4 HA SER 2 HA SER 2 30.234 5.007 42.721 5 HB2 SER 2 HB2 SER 2 31.669 4.903 40.717 6 HB3 SER 2 HB3 SER 2 30.252 5.297 39.712 7 HG SER 2 HG SER 2 31.325 7.149 40.111 8 H THR 3 H THR 3 29.062 6.913 43.057 9 HA THR 3 HA THR 3 26.241 6.564 43.088 10 HB THR 3 HB THR 3 26.289 8.915 44.019 11 HG1 THR 3 HG1 THR 3 28.119 9.981 44.091 12 HG21 THR 3 HG21 THR 3 26.616 6.931 45.501 13 HG22 THR 3 HG22 THR 3 28.370 7.056 45.249 14 HG23 THR 3 HG23 THR 3 27.493 8.368 46.057 15 H PHE 4 H PHE 4 24.623 8.092 42.436 16 HA PHE 4 HA PHE 4 24.858 9.187 39.705 17 HB2 PHE 4 HB2 PHE 4 22.782 8.090 40.270 18 HB3 PHE 4 HB3 PHE 4 22.627 9.010 41.762 19 HD1 PHE 4 HD1 PHE 4 22.544 9.308 38.036 20 HD2 PHE 4 HD2 PHE 4 21.585 11.167 41.810 21 HE1 PHE 4 HE1 PHE 4 21.276 11.081 36.847 22 HE2 PHE 4 HE2 PHE 4 20.316 12.936 40.613 23 HZ PHE 4 HZ PHE 4 20.163 12.900 38.137 24 H GLY 5 H GLY 5 24.702 11.429 39.222 25 HA2 GLY 5 HA2 GLY 5 24.115 13.448 41.095 26 HA3 GLY 5 HA3 GLY 5 25.873 13.372 40.945 27 H TYR 6 H TYR 6 24.115 15.555 40.199 28 HA TYR 6 HA TYR 6 25.104 16.098 37.505 29 HB2 TYR 6 HB2 TYR 6 22.886 14.908 37.207 30 HB3 TYR 6 HB3 TYR 6 22.118 16.204 38.099 31 HD1 TYR 6 HD1 TYR 6 24.464 15.790 35.152 32 HD2 TYR 6 HD2 TYR 6 20.950 17.719 36.739 33 HE1 TYR 6 HE1 TYR 6 24.041 16.847 32.934 34 HE2 TYR 6 HE2 TYR 6 20.529 18.767 34.512 35 HH TYR 6 HH TYR 6 22.487 18.023 31.628 36 H ARG 7 H ARG 7 24.975 18.407 37.016 37 HA ARG 7 HA ARG 7 25.460 20.560 37.544 38 HB2 ARG 7 HB2 ARG 7 23.288 20.441 39.656 39 HB3 ARG 7 HB3 ARG 7 23.957 21.875 38.885 40 HG2 ARG 7 HG2 ARG 7 22.281 19.705 37.575 41 HG3 ARG 7 HG3 ARG 7 21.752 21.330 37.956 42 HD2 ARG 7 HD2 ARG 7 24.039 20.792 36.005 43 HD3 ARG 7 HD3 ARG 7 22.359 20.770 35.513 44 HE ARG 7 HE ARG 7 22.583 23.204 36.803 45 HH11 ARG 7 HH11 ARG 7 24.190 21.767 33.995 46 HH12 ARG 7 HH12 ARG 7 24.289 23.321 33.203 47 HH21 ARG 7 HH21 ARG 7 22.805 25.149 35.639 48 HH22 ARG 7 HH22 ARG 7 23.700 25.111 34.130 49 H ARG 8 H ARG 8 27.337 19.277 38.173 50 HA ARG 8 HA ARG 8 28.293 19.631 40.952 51 HB2 ARG 8 HB2 ARG 8 28.983 17.707 39.417 52 HB3 ARG 8 HB3 ARG 8 29.839 18.893 38.423 53 HG2 ARG 8 HG2 ARG 8 31.145 19.536 40.532 54 HG3 ARG 8 HG3 ARG 8 30.334 18.180 41.336 55 HD2 ARG 8 HD2 ARG 8 32.529 17.482 40.682 56 HD3 ARG 8 HD3 ARG 8 31.346 16.636 39.670 57 HE ARG 8 HE ARG 8 32.362 19.121 38.476 58 HH11 ARG 8 HH11 ARG 8 33.215 15.732 38.887 59 HH12 ARG 8 HH12 ARG 8 33.992 15.686 37.311 60 HH21 ARG 8 HH21 ARG 8 33.443 19.004 36.582 61 HH22 ARG 8 HH22 ARG 8 34.224 17.519 36.102 62 H GLY 9 H GLY 9 29.472 21.370 41.676 63 HA2 GLY 9 HA2 GLY 9 30.704 23.321 41.702 64 HA3 GLY 9 HA3 GLY 9 31.108 23.033 40.010 65 H LEU 10 H LEU 10 30.918 25.214 39.428 66 HA LEU 10 HA LEU 10 28.342 26.639 39.756 67 HB2 LEU 10 HB2 LEU 10 30.945 27.453 38.404 68 HB3 LEU 10 HB3 LEU 10 29.534 28.479 38.613 69 HG LEU 10 HG LEU 10 31.249 27.365 40.870 70 HD11 LEU 10 HD11 LEU 10 31.928 29.709 41.164 71 HD12 LEU 10 HD12 LEU 10 32.346 29.134 39.544 72 HD13 LEU 10 HD13 LEU 10 30.931 30.192 39.773 73 HD21 LEU 10 HD21 LEU 10 28.870 29.277 40.950 74 HD22 LEU 10 HD22 LEU 10 28.936 27.646 41.652 75 HD23 LEU 10 HD23 LEU 10 29.951 28.924 42.315 76 H SER 11 H SER 11 27.028 27.301 38.063 77 HA SER 11 HA SER 11 26.923 25.505 35.745 78 HB2 SER 11 HB2 SER 11 24.884 26.709 35.172 79 HB3 SER 11 HB3 SER 11 24.869 26.114 36.837 80 HG SER 11 HG SER 11 25.406 28.248 37.510 81 H LYS 12 H LYS 12 26.551 26.461 33.481 82 HA LYS 12 HA LYS 12 29.202 26.998 32.774 83 HB2 LYS 12 HB2 LYS 12 27.611 25.828 31.349 84 HB3 LYS 12 HB3 LYS 12 26.617 27.275 31.204 85 HG2 LYS 12 HG2 LYS 12 27.792 26.916 29.170 86 HG3 LYS 12 HG3 LYS 12 28.353 28.406 29.902 87 HD2 LYS 12 HD2 LYS 12 30.425 27.226 30.682 88 HD3 LYS 12 HD3 LYS 12 29.851 25.741 29.876 89 HE2 LYS 12 HE2 LYS 12 29.769 26.933 27.709 90 HE3 LYS 12 HE3 LYS 12 30.204 28.444 28.504 91 HZ1 LYS 12 HZ1 LYS 12 32.365 27.391 29.098 92 HZ2 LYS 12 HZ2 LYS 12 31.986 26.096 28.134 93 HZ3 LYS 12 HZ3 LYS 12 32.108 27.607 27.508 94 H TYR 13 H TYR 13 26.622 29.396 32.952 95 HA TYR 13 HA TYR 13 28.521 31.533 32.112 96 HB2 TYR 13 HB2 TYR 13 25.509 31.556 32.164 97 HB3 TYR 13 HB3 TYR 13 26.539 32.850 31.568 98 HD1 TYR 13 HD1 TYR 13 24.897 29.718 30.721 99 HD2 TYR 13 HD2 TYR 13 28.129 32.358 29.612 100 HE1 TYR 13 HE1 TYR 13 25.141 28.525 28.547 101 HE2 TYR 13 HE2 TYR 13 28.342 31.177 27.433 102 HH TYR 13 HH TYR 13 27.382 29.635 26.028 103 H GLU 14 H GLU 14 28.050 30.255 34.946 104 HA GLU 14 HA GLU 14 27.036 32.475 36.543 105 HB2 GLU 14 HB2 GLU 14 26.698 30.010 36.848 106 HB3 GLU 14 HB3 GLU 14 28.365 29.867 37.372 107 HG2 GLU 14 HG2 GLU 14 27.957 30.890 39.424 108 HG3 GLU 14 HG3 GLU 14 26.614 31.850 38.789 109 H SER 15 H SER 15 30.269 31.439 35.575 110 HA SER 15 HA SER 15 31.669 32.685 37.769 111 HB2 SER 15 HB2 SER 15 33.658 32.485 36.196 112 HB3 SER 15 HB3 SER 15 32.853 30.997 36.700 113 HG SER 15 HG SER 15 33.323 30.972 34.495 114 H ILE 16 H ILE 16 31.862 34.764 38.187 115 HA ILE 16 HA ILE 16 31.305 36.849 36.224 116 HB ILE 16 HB ILE 16 32.444 37.033 39.032 117 HG12 ILE 16 HG12 ILE 16 30.198 36.108 39.121 118 HG13 ILE 16 HG13 ILE 16 30.219 37.746 39.739 119 HG21 ILE 16 HG21 ILE 16 31.438 39.212 37.156 120 HG22 ILE 16 HG22 ILE 16 31.727 39.435 38.894 121 HG23 ILE 16 HG23 ILE 16 33.069 39.031 37.825 122 HD11 ILE 16 HD11 ILE 16 29.220 38.574 37.605 123 HD12 ILE 16 HD12 ILE 16 29.185 36.900 36.993 124 HD13 ILE 16 HD13 ILE 16 28.216 37.354 38.401 125 H ASP 17 H ASP 17 32.667 37.874 34.933 126 HA ASP 17 HA ASP 17 35.499 36.989 34.825 127 HB2 ASP 17 HB2 ASP 17 33.760 38.428 32.795 128 HB3 ASP 17 HB3 ASP 17 35.431 37.919 32.550 129 H GLU 18 H GLU 18 37.113 38.698 34.074 130 HA GLU 18 HA GLU 18 37.045 40.780 36.124 131 HB2 GLU 18 HB2 GLU 18 39.345 41.171 35.580 132 HB3 GLU 18 HB3 GLU 18 39.060 39.465 35.866 133 HG2 GLU 18 HG2 GLU 18 39.243 40.618 33.038 134 HG3 GLU 18 HG3 GLU 18 40.651 40.182 33.975 135 H ASP 19 H ASP 19 36.987 42.961 35.939 136 HA ASP 19 HA ASP 19 35.979 44.164 33.498 137 HB2 ASP 19 HB2 ASP 19 37.165 45.583 35.904 138 HB3 ASP 19 HB3 ASP 19 36.071 46.255 34.698 139 H GLU 20 H GLU 20 39.187 43.548 34.658 140 HA GLU 20 HA GLU 20 40.604 45.735 33.759 141 HB2 GLU 20 HB2 GLU 20 41.437 43.870 35.189 142 HB3 GLU 20 HB3 GLU 20 41.545 42.842 33.765 143 HG2 GLU 20 HG2 GLU 20 43.730 43.794 34.464 144 HG3 GLU 20 HG3 GLU 20 43.294 44.223 32.815 145 H LEU 21 H LEU 21 39.334 43.165 31.738 146 HA LEU 21 HA LEU 21 40.831 43.706 29.333 147 HB2 LEU 21 HB2 LEU 21 39.560 41.641 29.677 148 HB3 LEU 21 HB3 LEU 21 38.061 42.554 29.859 149 HG LEU 21 HG LEU 21 38.186 43.266 27.485 150 HD11 LEU 21 HD11 LEU 21 40.613 41.419 27.352 151 HD12 LEU 21 HD12 LEU 21 39.768 42.120 25.951 152 HD13 LEU 21 HD13 LEU 21 40.609 43.178 27.081 153 HD21 LEU 21 HD21 LEU 21 38.403 40.260 27.890 154 HD22 LEU 21 HD22 LEU 21 36.943 41.241 28.125 155 HD23 LEU 21 HD23 LEU 21 37.648 41.085 26.506 156 H LEU 22 H LEU 22 37.981 45.228 30.796 157 HA LEU 22 HA LEU 22 37.452 46.980 28.478 158 HB2 LEU 22 HB2 LEU 22 36.316 47.231 31.288 159 HB3 LEU 22 HB3 LEU 22 35.667 47.867 29.784 160 HG LEU 22 HG LEU 22 35.741 44.930 30.616 161 HD11 LEU 22 HD11 LEU 22 33.315 45.150 30.789 162 HD12 LEU 22 HD12 LEU 22 34.120 46.297 31.869 163 HD13 LEU 22 HD13 LEU 22 33.412 46.870 30.343 164 HD21 LEU 22 HD21 LEU 22 34.529 46.246 28.147 165 HD22 LEU 22 HD22 LEU 22 35.897 45.108 28.186 166 HD23 LEU 22 HD23 LEU 22 34.283 44.554 28.644 167 H ALA 23 H ALA 23 38.738 47.239 31.807 168 HA ALA 23 HA ALA 23 39.274 50.022 31.776 169 HB1 ALA 23 HB1 ALA 23 39.078 48.559 33.800 170 HB2 ALA 23 HB2 ALA 23 40.656 47.839 33.390 171 HB3 ALA 23 HB3 ALA 23 40.551 49.548 33.806 172 H SER 24 H SER 24 41.005 47.519 30.204 173 HA SER 24 HA SER 24 43.592 48.831 29.957 174 HB2 SER 24 HB2 SER 24 42.279 46.574 28.378 175 HB3 SER 24 HB3 SER 24 43.962 47.097 28.199 176 HG SER 24 HG SER 24 42.715 45.980 30.499 177 H LEU 25 H LEU 25 40.616 49.702 28.546 178 HA LEU 25 HA LEU 25 41.867 50.693 26.029 179 HB2 LEU 25 HB2 LEU 25 38.972 50.428 26.884 180 HB3 LEU 25 HB3 LEU 25 39.515 51.046 25.331 181 HG LEU 25 HG LEU 25 39.891 48.193 26.346 182 HD11 LEU 25 HD11 LEU 25 38.330 47.673 24.499 183 HD12 LEU 25 HD12 LEU 25 37.590 48.707 25.727 184 HD13 LEU 25 HD13 LEU 25 38.122 49.408 24.175 185 HD21 LEU 25 HD21 LEU 25 40.655 47.705 24.034 186 HD22 LEU 25 HD22 LEU 25 40.637 49.447 23.660 187 HD23 LEU 25 HD23 LEU 25 41.762 48.788 24.870 188 H SER 26 H SER 26 41.785 52.838 25.416 189 HA SER 26 HA SER 26 41.305 54.850 27.515 190 HB2 SER 26 HB2 SER 26 43.268 54.949 25.937 191 HB3 SER 26 HB3 SER 26 42.120 55.317 24.629 192 HG SER 26 HG SER 26 42.650 56.766 27.030 193 H ALA 27 H ALA 27 39.929 56.733 27.171 194 HA ALA 27 HA ALA 27 37.288 56.121 26.759 195 HB1 ALA 27 HB1 ALA 27 36.922 58.568 26.790 196 HB2 ALA 27 HB2 ALA 27 38.127 58.065 27.986 197 HB3 ALA 27 HB3 ALA 27 38.650 58.845 26.470 198 H GLU 28 H GLU 28 39.424 57.455 24.162 199 HA GLU 28 HA GLU 28 37.230 57.782 22.281 200 HB2 GLU 28 HB2 GLU 28 40.240 57.792 21.876 201 HB3 GLU 28 HB3 GLU 28 39.042 58.110 20.604 202 HG2 GLU 28 HG2 GLU 28 38.099 59.959 22.055 203 HG3 GLU 28 HG3 GLU 28 39.462 59.743 23.145 204 H GLU 29 H GLU 29 39.348 55.087 23.082 205 HA GLU 29 HA GLU 29 38.635 53.353 20.835 206 HB2 GLU 29 HB2 GLU 29 39.378 52.415 23.621 207 HB3 GLU 29 HB3 GLU 29 39.632 51.582 22.119 208 HG2 GLU 29 HG2 GLU 29 41.132 54.167 22.742 209 HG3 GLU 29 HG3 GLU 29 41.584 52.665 23.507 210 H LEU 30 H LEU 30 37.541 53.799 24.199 211 HA LEU 30 HA LEU 30 35.410 51.889 24.183 212 HB2 LEU 30 HB2 LEU 30 35.941 54.363 25.863 213 HB3 LEU 30 HB3 LEU 30 34.647 53.234 26.210 214 HG LEU 30 HG LEU 30 37.571 52.382 26.121 215 HD11 LEU 30 HD11 LEU 30 35.865 53.185 28.527 216 HD12 LEU 30 HD12 LEU 30 37.495 52.469 28.580 217 HD13 LEU 30 HD13 LEU 30 37.271 54.068 27.884 218 HD21 LEU 30 HD21 LEU 30 35.982 50.535 25.875 219 HD22 LEU 30 HD22 LEU 30 36.688 50.487 27.492 220 HD23 LEU 30 HD23 LEU 30 35.036 51.105 27.274 221 H LYS 31 H LYS 31 35.551 55.062 22.752 222 HA LYS 31 HA LYS 31 32.652 55.458 22.648 223 HB2 LYS 31 HB2 LYS 31 34.545 57.248 22.479 224 HB3 LYS 31 HB3 LYS 31 34.677 56.732 20.788 225 HG2 LYS 31 HG2 LYS 31 32.207 57.214 20.515 226 HG3 LYS 31 HG3 LYS 31 32.181 57.782 22.195 227 HD2 LYS 31 HD2 LYS 31 33.993 59.469 21.515 228 HD3 LYS 31 HD3 LYS 31 33.680 58.985 19.834 229 HE2 LYS 31 HE2 LYS 31 31.261 59.564 20.154 230 HE3 LYS 31 HE3 LYS 31 31.630 60.077 21.807 231 HZ1 LYS 31 HZ1 LYS 31 32.566 61.357 19.302 232 HZ2 LYS 31 HZ2 LYS 31 31.661 62.005 20.511 233 HZ3 LYS 31 HZ3 LYS 31 33.238 61.684 20.766 234 H GLU 32 H GLU 32 35.107 54.180 20.381 235 HA GLU 32 HA GLU 32 33.271 53.556 18.244 236 HB2 GLU 32 HB2 GLU 32 35.760 53.686 18.023 237 HB3 GLU 32 HB3 GLU 32 35.908 52.258 19.030 238 HG2 GLU 32 HG2 GLU 32 36.201 51.541 16.802 239 HG3 GLU 32 HG3 GLU 32 34.636 50.935 17.313 240 H LEU 33 H LEU 33 34.480 51.652 21.026 241 HA LEU 33 HA LEU 33 33.183 49.235 20.498 242 HB2 LEU 33 HB2 LEU 33 34.935 49.586 22.183 243 HB3 LEU 33 HB3 LEU 33 33.822 50.523 23.167 244 HG LEU 33 HG LEU 33 32.448 48.581 23.641 245 HD11 LEU 33 HD11 LEU 33 33.061 46.306 22.950 246 HD12 LEU 33 HD12 LEU 33 32.672 47.279 21.533 247 HD13 LEU 33 HD13 LEU 33 34.369 46.936 21.931 248 HD21 LEU 33 HD21 LEU 33 34.465 48.991 25.015 249 HD22 LEU 33 HD22 LEU 33 34.074 47.271 24.920 250 HD23 LEU 33 HD23 LEU 33 35.409 47.931 23.951 251 H GLU 34 H GLU 34 31.794 52.111 22.126 252 HA GLU 34 HA GLU 34 29.408 50.843 23.051 253 HB2 GLU 34 HB2 GLU 34 30.345 53.028 23.803 254 HB3 GLU 34 HB3 GLU 34 29.823 53.764 22.293 255 HG2 GLU 34 HG2 GLU 34 27.658 53.939 22.990 256 HG3 GLU 34 HG3 GLU 34 27.639 52.315 23.675 257 H ARG 35 H ARG 35 30.212 52.154 19.851 258 HA ARG 35 HA ARG 35 27.469 51.675 18.821 259 HB2 ARG 35 HB2 ARG 35 29.049 53.554 18.010 260 HB3 ARG 35 HB3 ARG 35 29.980 52.275 17.230 261 HG2 ARG 35 HG2 ARG 35 27.557 51.633 16.198 262 HG3 ARG 35 HG3 ARG 35 27.181 53.292 16.645 263 HD2 ARG 35 HD2 ARG 35 27.859 53.263 14.348 264 HD3 ARG 35 HD3 ARG 35 29.167 54.034 15.254 265 HE ARG 35 HE ARG 35 29.116 51.243 14.129 266 HH11 ARG 35 HH11 ARG 35 31.145 53.875 15.334 267 HH12 ARG 35 HH12 ARG 35 32.598 52.936 15.019 268 HH21 ARG 35 HH21 ARG 35 31.068 50.165 13.873 269 HH22 ARG 35 HH22 ARG 35 32.549 51.005 14.348 270 H GLU 36 H GLU 36 30.668 50.088 18.673 271 HA GLU 36 HA GLU 36 30.062 48.066 16.768 272 HB2 GLU 36 HB2 GLU 36 31.888 48.181 19.178 273 HB3 GLU 36 HB3 GLU 36 31.852 46.773 18.154 274 HG2 GLU 36 HG2 GLU 36 32.257 49.503 16.876 275 HG3 GLU 36 HG3 GLU 36 33.583 48.732 17.743 276 H LEU 37 H LEU 37 29.313 48.082 20.281 277 HA LEU 37 HA LEU 37 28.179 45.386 20.158 278 HB2 LEU 37 HB2 LEU 37 27.807 47.551 22.257 279 HB3 LEU 37 HB3 LEU 37 27.337 45.857 22.396 280 HG LEU 37 HG LEU 37 30.153 46.996 22.333 281 HD11 LEU 37 HD11 LEU 37 28.610 45.313 24.347 282 HD12 LEU 37 HD12 LEU 37 30.295 45.826 24.507 283 HD13 LEU 37 HD13 LEU 37 29.002 47.042 24.488 284 HD21 LEU 37 HD21 LEU 37 29.354 44.069 22.198 285 HD22 LEU 37 HD22 LEU 37 30.279 44.980 20.983 286 HD23 LEU 37 HD23 LEU 37 30.985 44.675 22.571 287 H GLU 38 H GLU 38 26.885 48.518 19.287 288 HA GLU 38 HA GLU 38 24.083 47.690 19.505 289 HB2 GLU 38 HB2 GLU 38 25.514 50.128 18.414 290 HB3 GLU 38 HB3 GLU 38 23.862 49.821 17.939 291 HG2 GLU 38 HG2 GLU 38 24.836 50.090 20.801 292 HG3 GLU 38 HG3 GLU 38 23.998 51.335 19.869 293 H ASP 39 H ASP 39 26.556 47.087 17.177 294 HA ASP 39 HA ASP 39 24.664 46.295 15.061 295 HB2 ASP 39 HB2 ASP 39 27.654 45.893 15.468 296 HB3 ASP 39 HB3 ASP 39 26.762 45.212 14.109 297 H ILE 40 H ILE 40 25.829 44.849 17.982 298 HA ILE 40 HA ILE 40 25.293 42.077 17.059 299 HB ILE 40 HB ILE 40 26.386 43.146 19.686 300 HG12 ILE 40 HG12 ILE 40 27.829 41.733 17.391 301 HG13 ILE 40 HG13 ILE 40 27.881 43.471 17.681 302 HG21 ILE 40 HG21 ILE 40 27.005 40.772 20.161 303 HG22 ILE 40 HG22 ILE 40 25.269 40.986 20.060 304 HG23 ILE 40 HG23 ILE 40 26.145 40.271 18.688 305 HD11 ILE 40 HD11 ILE 40 28.895 43.058 19.928 306 HD12 ILE 40 HD12 ILE 40 29.036 41.339 19.492 307 HD13 ILE 40 HD13 ILE 40 29.892 42.562 18.547 308 H GLU 41 H GLU 41 23.891 44.564 19.121 309 HA GLU 41 HA GLU 41 21.293 43.189 19.158 310 HB2 GLU 41 HB3 GLU 41 22.435 42.286 21.155 311 HB3 GLU 41 HB2 GLU 41 22.844 43.914 21.684 312 HG2 GLU 41 HG2 GLU 41 20.965 42.940 22.945 313 HG3 GLU 41 HG3 GLU 41 20.545 44.446 22.138 314 H1 GLY 0 H1 GLY 0 30.964 54.086 26.873 315 H2 GLY 0 H2 GLY 0 30.004 55.348 27.247 316 H3 GLY 0 H3 GLY 0 29.432 53.811 27.379 317 HA2 GLY 0 HA2 GLY 0 31.681 54.893 28.960 318 HA3 GLY 0 HA3 GLY 0 30.002 54.828 29.551 319 H MET 1 H MET 1 32.689 53.352 30.231 320 HA MET 1 HA MET 1 32.599 50.682 29.456 321 HB2 MET 1 HB2 MET 1 34.482 51.701 30.542 322 HB3 MET 1 HB3 MET 1 33.604 51.882 32.063 323 HG2 MET 1 HG2 MET 1 34.093 49.193 30.747 324 HG3 MET 1 HG3 MET 1 35.296 49.942 31.786 325 HE1 MET 1 HE1 MET 1 33.787 49.773 35.339 326 HE2 MET 1 HE2 MET 1 35.180 50.213 34.329 327 HE3 MET 1 HE3 MET 1 33.684 51.178 34.259 328 H ASP 2 H ASP 2 30.953 51.999 32.406 329 HA ASP 2 HA ASP 2 29.910 49.555 33.284 330 HB2 ASP 2 HB2 ASP 2 28.557 52.261 33.559 331 HB3 ASP 2 HB3 ASP 2 28.354 50.855 34.608 332 H ALA 3 H ALA 3 28.614 51.654 30.741 333 HA ALA 3 HA ALA 3 26.050 50.268 30.511 334 HB1 ALA 3 HB1 ALA 3 25.771 51.716 28.539 335 HB2 ALA 3 HB2 ALA 3 26.304 52.660 29.940 336 HB3 ALA 3 HB3 ALA 3 27.454 52.245 28.651 337 H ILE 4 H ILE 4 29.128 50.347 28.691 338 HA ILE 4 HA ILE 4 28.611 48.336 26.744 339 HB ILE 4 HB ILE 4 31.084 49.357 28.165 340 HG12 ILE 4 HG12 ILE 4 30.297 49.615 25.235 341 HG13 ILE 4 HG13 ILE 4 29.738 50.740 26.465 342 HG21 ILE 4 HG21 ILE 4 32.549 48.194 26.623 343 HG22 ILE 4 HG22 ILE 4 31.627 47.018 27.542 344 HG23 ILE 4 HG23 ILE 4 31.171 47.385 25.863 345 HD11 ILE 4 HD11 ILE 4 31.639 51.707 25.378 346 HD12 ILE 4 HD12 ILE 4 32.098 51.305 27.041 347 HD13 ILE 4 HD13 ILE 4 32.637 50.283 25.690 348 H LYS 5 H LYS 5 29.979 48.018 30.041 349 HA LYS 5 HA LYS 5 30.004 45.168 30.166 350 HB2 LYS 5 HB2 LYS 5 31.249 46.591 31.715 351 HB3 LYS 5 HB3 LYS 5 29.752 47.256 32.374 352 HG2 LYS 5 HG2 LYS 5 29.109 45.109 33.294 353 HG3 LYS 5 HG3 LYS 5 30.445 44.285 32.469 354 HD2 LYS 5 HD2 LYS 5 32.093 45.370 33.855 355 HD3 LYS 5 HD3 LYS 5 30.880 46.480 34.539 356 HE2 LYS 5 HE2 LYS 5 29.685 44.610 35.576 357 HE3 LYS 5 HE3 LYS 5 30.792 43.444 34.839 358 HZ1 LYS 5 HZ1 LYS 5 31.250 44.082 37.214 359 HZ2 LYS 5 HZ2 LYS 5 32.554 44.219 36.187 360 HZ3 LYS 5 HZ3 LYS 5 31.752 45.539 36.711 361 H LYS 6 H LYS 6 27.415 47.442 31.325 362 HA LYS 6 HA LYS 6 25.640 45.421 32.192 363 HB2 LYS 6 HB2 LYS 6 25.448 47.859 32.691 364 HB3 LYS 6 HB3 LYS 6 24.892 48.139 31.033 365 HG2 LYS 6 HG2 LYS 6 22.959 46.608 31.483 366 HG3 LYS 6 HG3 LYS 6 23.509 46.413 33.146 367 HD2 LYS 6 HD2 LYS 6 22.697 49.063 31.865 368 HD3 LYS 6 HD3 LYS 6 21.621 48.032 32.810 369 HE2 LYS 6 HE2 LYS 6 23.056 48.304 34.805 370 HE3 LYS 6 HE3 LYS 6 24.150 49.350 33.881 371 HZ1 LYS 6 HZ1 LYS 6 22.517 50.641 35.189 372 HZ2 LYS 6 HZ2 LYS 6 22.323 50.910 33.566 373 HZ3 LYS 6 HZ3 LYS 6 21.276 49.956 34.382 374 H LYS 7 H LYS 7 25.838 46.858 28.903 375 HA LYS 7 HA LYS 7 23.677 45.397 27.746 376 HB2 LYS 7 HB2 LYS 7 24.842 47.420 26.809 377 HB3 LYS 7 HB3 LYS 7 26.214 46.399 26.379 378 HG2 LYS 7 HG2 LYS 7 24.740 45.071 24.883 379 HG3 LYS 7 HG3 LYS 7 23.353 46.082 25.337 380 HD2 LYS 7 HD2 LYS 7 24.464 48.074 24.357 381 HD3 LYS 7 HD3 LYS 7 25.905 47.113 24.029 382 HE2 LYS 7 HE2 LYS 7 24.874 47.199 21.947 383 HE3 LYS 7 HE3 LYS 7 24.422 45.611 22.549 384 HZ1 LYS 7 HZ1 LYS 7 22.530 46.676 21.607 385 HZ2 LYS 7 HZ2 LYS 7 22.236 46.724 23.234 386 HZ3 LYS 7 HZ3 LYS 7 22.736 48.055 22.411 387 H MET 8 H MET 8 27.162 44.470 27.898 388 HA MET 8 HA MET 8 26.647 41.888 26.646 389 HB2 MET 8 HB2 MET 8 28.809 43.001 26.478 390 HB3 MET 8 HB3 MET 8 29.028 42.917 28.234 391 HG2 MET 8 HG2 MET 8 29.143 40.488 28.160 392 HG3 MET 8 HG3 MET 8 28.646 40.472 26.469 393 HE1 MET 8 HE1 MET 8 32.835 41.860 27.929 394 HE2 MET 8 HE2 MET 8 31.405 42.895 28.117 395 HE3 MET 8 HE3 MET 8 31.515 41.357 29.007 396 H GLN 9 H GLN 9 26.896 42.936 30.070 397 HA GLN 9 HA GLN 9 26.910 40.280 31.124 398 HB2 GLN 9 HB2 GLN 9 27.863 42.256 32.197 399 HB3 GLN 9 HB3 GLN 9 26.255 42.913 32.504 400 HG2 GLN 9 HG2 GLN 9 25.784 41.360 34.189 401 HG3 GLN 9 HG3 GLN 9 26.868 40.138 33.529 402 HE21 GLN 9 HE21 GLN 9 28.415 41.692 36.628 403 HE22 GLN 9 HE22 GLN 9 26.779 41.141 36.404 404 H MET 10 H MET 10 24.164 42.563 30.551 405 HA MET 10 HA MET 10 22.196 40.782 31.717 406 HB2 MET 10 HB2 MET 10 21.890 43.004 29.665 407 HB3 MET 10 HB3 MET 10 20.557 42.117 30.420 408 HG2 MET 10 HG2 MET 10 21.548 42.792 32.681 409 HG3 MET 10 HG3 MET 10 22.541 43.937 31.802 410 HE1 MET 10 HE1 MET 10 20.076 44.680 29.465 411 HE2 MET 10 HE2 MET 10 19.676 46.247 30.197 412 HE3 MET 10 HE3 MET 10 21.377 45.740 30.062 413 H LEU 11 H LEU 11 23.792 40.757 28.565 414 HA LEU 11 HA LEU 11 22.032 38.699 27.483 415 HB2 LEU 11 HB2 LEU 11 23.249 40.277 26.053 416 HB3 LEU 11 HB3 LEU 11 24.788 39.674 26.663 417 HG LEU 11 HG LEU 11 24.337 37.449 25.651 418 HD11 LEU 11 HD11 LEU 11 21.857 38.821 24.512 419 HD12 LEU 11 HD12 LEU 11 22.518 37.271 23.949 420 HD13 LEU 11 HD13 LEU 11 21.888 37.406 25.591 421 HD21 LEU 11 HD21 LEU 11 25.605 39.176 24.441 422 HD22 LEU 11 HD22 LEU 11 24.650 38.196 23.329 423 HD23 LEU 11 HD23 LEU 11 24.093 39.821 23.755 424 H LYS 12 H LYS 12 25.229 38.680 29.158 425 HA LYS 12 HA LYS 12 25.500 35.815 29.184 426 HB2 LYS 12 HB2 LYS 12 27.300 37.543 29.779 427 HB3 LYS 12 HB3 LYS 12 26.530 37.688 31.361 428 HG2 LYS 12 HG2 LYS 12 26.877 35.263 31.759 429 HG3 LYS 12 HG3 LYS 12 27.565 35.088 30.131 430 HD2 LYS 12 HD2 LYS 12 29.458 36.614 30.849 431 HD3 LYS 12 HD3 LYS 12 28.787 36.594 32.490 432 HE2 LYS 12 HE2 LYS 12 28.909 34.091 32.475 433 HE3 LYS 12 HE3 LYS 12 29.635 34.147 30.865 434 HZ1 LYS 12 HZ1 LYS 12 30.869 35.050 33.411 435 HZ2 LYS 12 HZ2 LYS 12 31.311 33.838 32.472 436 HZ3 LYS 12 HZ3 LYS 12 31.570 35.376 31.954 437 H LEU 13 H LEU 13 23.722 37.993 31.367 438 HA LEU 13 HA LEU 13 22.868 35.951 33.175 439 HB2 LEU 13 HB2 LEU 13 21.792 38.690 32.470 440 HB3 LEU 13 HB3 LEU 13 21.002 37.672 33.671 441 HG LEU 13 HG LEU 13 23.945 38.430 33.894 442 HD11 LEU 13 HD11 LEU 13 23.235 40.123 35.540 443 HD12 LEU 13 HD12 LEU 13 22.620 40.494 33.923 444 HD13 LEU 13 HD13 LEU 13 21.533 39.796 35.150 445 HD21 LEU 13 HD21 LEU 13 23.608 37.873 36.274 446 HD22 LEU 13 HD22 LEU 13 21.929 37.414 35.938 447 HD23 LEU 13 HD23 LEU 13 23.272 36.477 35.250 448 H ASP 14 H ASP 14 21.312 37.094 30.113 449 HA ASP 14 HA ASP 14 19.016 35.424 30.373 450 HB2 ASP 14 HB2 ASP 14 19.374 37.301 28.680 451 HB3 ASP 14 HB3 ASP 14 20.355 36.172 27.747 452 H ASN 15 H ASN 15 22.200 34.769 28.837 453 HA ASN 15 HA ASN 15 21.690 32.031 28.210 454 HB2 ASN 15 HB2 ASN 15 24.315 33.450 28.872 455 HB3 ASN 15 HB3 ASN 15 24.190 31.819 28.203 456 HD21 ASN 15 HD21 ASN 15 24.787 33.876 25.279 457 HD22 ASN 15 HD22 ASN 15 25.688 33.233 26.667 458 H TYR 16 H TYR 16 22.917 33.474 31.253 459 HA TYR 16 HA TYR 16 23.419 31.049 32.663 460 HB2 TYR 16 HB2 TYR 16 24.270 33.179 33.448 461 HB3 TYR 16 HB3 TYR 16 22.645 33.844 33.537 462 HD1 TYR 16 HD1 TYR 16 24.825 31.209 35.018 463 HD2 TYR 16 HD2 TYR 16 21.337 33.694 35.512 464 HE1 TYR 16 HE1 TYR 16 24.593 30.456 37.360 465 HE2 TYR 16 HE2 TYR 16 21.151 32.949 37.894 466 HH TYR 16 HH TYR 16 23.699 30.932 39.387 467 H HIS 17 H HIS 17 20.409 33.000 32.466 468 HA HIS 17 HA HIS 17 18.886 31.229 34.169 469 HB2 HIS 17 HB2 HIS 17 18.205 33.547 33.733 470 HB3 HIS 17 HB3 HIS 17 17.986 33.185 32.016 471 HD2 HIS 17 HD2 HIS 17 15.661 32.236 31.293 472 HE1 HIS 17 HE1 HIS 17 14.020 31.371 35.125 473 HE2 HIS 17 HE2 HIS 17 13.527 31.452 32.641 474 H LEU 18 H LEU 18 19.222 31.434 30.587 475 HA LEU 18 HA LEU 18 17.433 29.286 30.042 476 HB2 LEU 18 HB2 LEU 18 19.744 30.432 28.448 477 HB3 LEU 18 HB3 LEU 18 18.617 29.226 27.825 478 HG LEU 18 HG LEU 18 17.627 31.910 28.858 479 HD11 LEU 18 HD11 LEU 18 18.386 31.182 25.987 480 HD12 LEU 18 HD12 LEU 18 17.610 32.686 26.543 481 HD13 LEU 18 HD13 LEU 18 19.263 32.317 27.041 482 HD21 LEU 18 HD21 LEU 18 15.933 30.122 28.586 483 HD22 LEU 18 HD22 LEU 18 15.711 31.421 27.410 484 HD23 LEU 18 HD23 LEU 18 16.452 29.890 26.899 485 H GLU 19 H GLU 19 21.043 29.142 30.490 486 HA GLU 19 HA GLU 19 21.173 26.336 29.942 487 HB2 GLU 19 HB2 GLU 19 23.030 28.066 29.995 488 HB3 GLU 19 HB3 GLU 19 23.095 27.871 31.740 489 HG2 GLU 19 HG2 GLU 19 23.290 25.469 29.867 490 HG3 GLU 19 HG3 GLU 19 24.662 26.540 30.038 491 H ASN 20 H ASN 20 20.366 28.052 32.931 492 HA ASN 20 HA ASN 20 20.250 25.555 34.478 493 HB2 ASN 20 HB2 ASN 20 19.687 28.458 35.120 494 HB3 ASN 20 HB3 ASN 20 19.264 27.155 36.231 495 HD21 ASN 20 HD21 ASN 20 23.125 28.284 36.023 496 HD22 ASN 20 HD22 ASN 20 21.869 29.114 35.101 497 H GLU 21 H GLU 21 17.931 27.388 32.550 498 HA GLU 21 HA GLU 21 15.604 25.876 33.478 499 HB2 GLU 21 HB2 GLU 21 15.386 28.099 32.433 500 HB3 GLU 21 HB3 GLU 21 16.130 27.493 30.962 501 HG2 GLU 21 HG2 GLU 21 13.824 27.639 30.531 502 HG3 GLU 21 HG3 GLU 21 14.195 25.928 30.640 503 H VAL 22 H VAL 22 17.890 25.606 30.719 504 HA VAL 22 HA VAL 22 17.009 23.150 29.593 505 HB VAL 22 HB VAL 22 19.747 24.438 29.855 506 HG11 VAL 22 HG11 VAL 22 20.592 22.827 28.163 507 HG12 VAL 22 HG12 VAL 22 20.285 22.081 29.729 508 HG13 VAL 22 HG13 VAL 22 19.130 21.850 28.392 509 HG21 VAL 22 HG21 VAL 22 17.890 23.972 27.485 510 HG22 VAL 22 HG22 VAL 22 18.173 25.508 28.319 511 HG23 VAL 22 HG23 VAL 22 19.484 24.756 27.416 512 H ALA 23 H ALA 23 19.396 23.644 32.269 513 HA ALA 23 HA ALA 23 19.638 20.909 32.945 514 HB1 ALA 23 HB1 ALA 23 21.142 22.679 33.710 515 HB2 ALA 23 HB2 ALA 23 19.846 23.384 34.707 516 HB3 ALA 23 HB3 ALA 23 20.468 21.779 35.097 517 H ARG 24 H ARG 24 17.232 23.301 34.162 518 HA ARG 24 HA ARG 24 16.039 21.697 36.169 519 HB2 ARG 24 HB2 ARG 24 15.623 24.177 35.750 520 HB3 ARG 24 HB3 ARG 24 14.591 23.714 34.400 521 HG2 ARG 24 HG2 ARG 24 13.164 22.391 36.030 522 HG3 ARG 24 HG3 ARG 24 14.208 22.968 37.334 523 HD2 ARG 24 HD2 ARG 24 12.225 24.346 37.280 524 HD3 ARG 24 HD3 ARG 24 13.596 25.318 36.748 525 HE ARG 24 HE ARG 24 12.663 25.532 34.636 526 HH11 ARG 24 HH11 ARG 24 10.788 22.995 36.258 527 HH12 ARG 24 HH12 ARG 24 9.629 22.968 34.945 528 HH21 ARG 24 HH21 ARG 24 11.133 25.456 33.103 529 HH22 ARG 24 HH22 ARG 24 9.696 24.473 33.348 530 H LEU 25 H LEU 25 15.250 21.965 32.727 531 HA LEU 25 HA LEU 25 13.139 19.970 32.759 532 HB2 LEU 25 HB2 LEU 25 14.777 21.215 30.513 533 HB3 LEU 25 HB3 LEU 25 13.374 20.182 30.256 534 HG LEU 25 HG LEU 25 13.238 22.817 31.799 535 HD11 LEU 25 HD11 LEU 25 13.958 23.208 29.463 536 HD12 LEU 25 HD12 LEU 25 12.536 22.304 28.882 537 HD13 LEU 25 HD13 LEU 25 12.335 23.824 29.783 538 HD21 LEU 25 HD21 LEU 25 11.372 21.279 32.272 539 HD22 LEU 25 HD22 LEU 25 10.828 22.659 31.314 540 HD23 LEU 25 HD23 LEU 25 11.077 21.084 30.528 541 H LYS 26 H LYS 26 16.582 19.859 31.652 542 HA LYS 26 HA LYS 26 16.521 17.278 30.578 543 HB2 LYS 26 HB2 LYS 26 18.751 18.958 31.737 544 HB3 LYS 26 HB3 LYS 26 19.052 17.282 31.272 545 HG2 LYS 26 HG2 LYS 26 18.142 17.719 29.004 546 HG3 LYS 26 HG3 LYS 26 17.960 19.436 29.412 547 HD2 LYS 26 HD2 LYS 26 20.371 19.651 29.764 548 HD3 LYS 26 HD3 LYS 26 20.566 17.896 29.622 549 HE2 LYS 26 HE2 LYS 26 19.766 17.984 27.279 550 HE3 LYS 26 HE3 LYS 26 19.670 19.751 27.368 551 HZ1 LYS 26 HZ1 LYS 26 22.161 18.197 27.864 552 HZ2 LYS 26 HZ2 LYS 26 21.775 18.842 26.419 553 HZ3 LYS 26 HZ3 LYS 26 22.059 19.829 27.685 554 H LYS 27 H LYS 27 17.162 18.028 34.036 555 HA LYS 27 HA LYS 27 17.781 15.303 34.707 556 HB2 LYS 27 HB2 LYS 27 17.427 15.922 37.025 557 HB3 LYS 27 HB3 LYS 27 18.428 17.080 36.159 558 HG2 LYS 27 HG2 LYS 27 16.484 18.635 35.998 559 HG3 LYS 27 HG3 LYS 27 15.493 17.479 36.907 560 HD2 LYS 27 HD2 LYS 27 16.923 17.693 38.864 561 HD3 LYS 27 HD3 LYS 27 18.129 18.602 37.955 562 HE2 LYS 27 HE2 LYS 27 16.898 20.089 39.409 563 HE3 LYS 27 HE3 LYS 27 16.620 20.506 37.714 564 HZ1 LYS 27 HZ1 LYS 27 14.779 18.886 39.379 565 HZ2 LYS 27 HZ2 LYS 27 14.593 20.487 39.142 566 HZ3 LYS 27 HZ3 LYS 27 14.462 19.440 37.855 567 H LEU 28 H LEU 28 14.655 16.762 34.172 568 HA LEU 28 HA LEU 28 13.132 14.621 35.461 569 HB2 LEU 28 HB2 LEU 28 12.203 16.763 33.513 570 HB3 LEU 28 HB3 LEU 28 11.194 15.809 34.588 571 HG LEU 28 HG LEU 28 13.253 17.874 35.486 572 HD11 LEU 28 HD11 LEU 28 11.325 18.884 34.338 573 HD12 LEU 28 HD12 LEU 28 10.215 18.022 35.427 574 HD13 LEU 28 HD13 LEU 28 11.321 19.261 36.067 575 HD21 LEU 28 HD21 LEU 28 12.199 17.687 37.706 576 HD22 LEU 28 HD22 LEU 28 11.159 16.378 37.104 577 HD23 LEU 28 HD23 LEU 28 12.913 16.143 37.214 578 H VAL 29 H VAL 29 14.443 15.167 32.264 579 HA VAL 29 HA VAL 29 13.040 12.749 31.188 580 HB VAL 29 HB VAL 29 13.789 13.504 28.967 581 HG11 VAL 29 HG11 VAL 29 12.180 15.325 28.733 582 HG12 VAL 29 HG12 VAL 29 11.542 14.081 29.817 583 HG13 VAL 29 HG13 VAL 29 12.179 15.600 30.486 584 HG21 VAL 29 HG21 VAL 29 14.590 16.116 30.303 585 HG22 VAL 29 HG22 VAL 29 15.753 14.906 29.717 586 HG23 VAL 29 HG23 VAL 29 14.668 15.717 28.581 587 H GLY 30 H GLY 30 16.044 13.634 32.509 588 HA2 GLY 30 HA2 GLY 30 17.829 12.332 33.018 589 HA3 GLY 30 HA3 GLY 30 17.037 10.945 32.273 590 H GLU 31 H GLU 31 17.707 13.842 30.403 591 HA GLU 31 HA GLU 31 19.540 12.469 28.559 592 HB2 GLU 31 HB2 GLU 31 18.509 15.330 28.768 593 HB3 GLU 31 HB3 GLU 31 19.616 14.778 27.510 594 HG2 GLU 31 HG2 GLU 31 17.929 13.034 26.846 595 HG3 GLU 31 HG3 GLU 31 16.765 13.856 27.890 596 H ARG 32 H ARG 32 21.363 14.417 27.911 597 HA ARG 32 HA ARG 32 22.958 15.130 30.311 598 HB2 ARG 32 HB2 ARG 32 24.052 13.968 27.698 599 HB3 ARG 32 HB3 ARG 32 25.034 14.662 28.985 600 HG2 ARG 32 HG2 ARG 32 23.289 12.168 29.227 601 HG3 ARG 32 HG3 ARG 32 25.046 12.202 29.053 602 HD2 ARG 32 HD2 ARG 32 25.270 13.409 31.190 603 HD3 ARG 32 HD3 ARG 32 23.521 13.426 31.404 604 HE ARG 32 HE ARG 32 25.353 11.194 31.792 605 HH11 ARG 32 HH11 ARG 32 21.923 12.110 31.555 606 HH12 ARG 32 HH12 ARG 32 21.412 10.603 32.244 607 HH21 ARG 32 HH21 ARG 32 24.566 9.282 32.537 608 HH22 ARG 32 HH22 ARG 32 22.861 9.160 33.000 609 H1 GLY 0 H1 GLY 0 44.002 44.778 22.537 610 H2 GLY 0 H2 GLY 0 42.670 43.829 22.724 611 H3 GLY 0 H3 GLY 0 42.808 45.254 23.546 612 HA2 GLY 0 HA2 GLY 0 42.660 46.527 21.549 613 HA3 GLY 0 HA3 GLY 0 42.658 45.027 20.610 614 H MET 1 H MET 1 40.678 47.276 20.930 615 HA MET 1 HA MET 1 38.460 46.755 22.438 616 HB2 MET 1 HB2 MET 1 38.807 48.753 21.157 617 HB3 MET 1 HB3 MET 1 38.695 47.892 19.628 618 HG2 MET 1 HG2 MET 1 36.412 48.045 21.611 619 HG3 MET 1 HG3 MET 1 36.685 49.292 20.399 620 HE1 MET 1 HE1 MET 1 35.972 47.413 17.022 621 HE2 MET 1 HE2 MET 1 36.182 49.017 17.755 622 HE3 MET 1 HE3 MET 1 37.507 47.831 17.783 623 H ASP 2 H ASP 2 38.865 45.350 19.136 624 HA ASP 2 HA ASP 2 36.379 44.172 18.977 625 HB2 ASP 2 HB2 ASP 2 38.974 43.192 17.744 626 HB3 ASP 2 HB3 ASP 2 37.353 42.717 17.228 627 H ALA 3 H ALA 3 38.980 42.911 20.972 628 HA ALA 3 HA ALA 3 38.143 40.169 21.103 629 HB1 ALA 3 HB1 ALA 3 40.318 41.013 21.932 630 HB2 ALA 3 HB2 ALA 3 39.484 41.943 23.197 631 HB3 ALA 3 HB3 ALA 3 39.429 40.168 23.214 632 H ILE 4 H ILE 4 36.871 43.099 22.611 633 HA ILE 4 HA ILE 4 35.099 41.698 24.491 634 HB ILE 4 HB ILE 4 35.215 44.598 23.591 635 HG12 ILE 4 HG12 ILE 4 36.067 43.593 26.326 636 HG13 ILE 4 HG13 ILE 4 37.202 43.476 24.989 637 HG21 ILE 4 HG21 ILE 4 33.640 43.282 25.851 638 HG22 ILE 4 HG22 ILE 4 33.853 45.032 25.671 639 HG23 ILE 4 HG23 ILE 4 32.975 44.129 24.439 640 HD11 ILE 4 HD11 ILE 4 36.997 45.877 24.525 641 HD12 ILE 4 HD12 ILE 4 35.935 46.063 25.937 642 HD13 ILE 4 HD13 ILE 4 37.616 45.540 26.156 643 H LYS 5 H LYS 5 34.735 43.391 21.328 644 HA LYS 5 HA LYS 5 31.911 42.870 21.147 645 HB2 LYS 5 HB2 LYS 5 31.933 44.042 19.270 646 HB3 LYS 5 HB3 LYS 5 33.529 44.525 19.801 647 HG2 LYS 5 HG2 LYS 5 34.466 42.691 18.259 648 HG3 LYS 5 HG3 LYS 5 32.803 42.460 17.678 649 HD2 LYS 5 HD2 LYS 5 32.772 44.962 17.180 650 HD3 LYS 5 HD3 LYS 5 34.510 44.980 17.511 651 HE2 LYS 5 HE2 LYS 5 34.679 43.147 15.684 652 HE3 LYS 5 HE3 LYS 5 32.992 43.560 15.289 653 HZ1 LYS 5 HZ1 LYS 5 35.362 45.320 15.156 654 HZ2 LYS 5 HZ2 LYS 5 34.371 44.884 13.899 655 HZ3 LYS 5 HZ3 LYS 5 33.836 45.920 15.050 656 H LYS 6 H LYS 6 34.699 40.963 20.048 657 HA LYS 6 HA LYS 6 33.273 38.738 18.959 658 HB2 LYS 6 HB2 LYS 6 35.719 39.137 18.756 659 HB3 LYS 6 HB3 LYS 6 35.917 38.806 20.484 660 HG2 LYS 6 HG2 LYS 6 35.060 36.489 20.129 661 HG3 LYS 6 HG3 LYS 6 34.852 36.846 18.403 662 HD2 LYS 6 HD2 LYS 6 37.307 37.226 18.203 663 HD3 LYS 6 HD3 LYS 6 37.489 36.951 19.939 664 HE2 LYS 6 HE2 LYS 6 38.131 34.945 18.743 665 HE3 LYS 6 HE3 LYS 6 36.678 34.641 19.702 666 HZ1 LYS 6 HZ1 LYS 6 36.677 35.187 16.771 667 HZ2 LYS 6 HZ2 LYS 6 36.519 33.707 17.466 668 HZ3 LYS 6 HZ3 LYS 6 35.355 34.837 17.663 669 H LYS 7 H LYS 7 34.209 39.371 22.392 670 HA LYS 7 HA LYS 7 33.088 36.922 23.374 671 HB2 LYS 7 HB2 LYS 7 34.742 38.261 24.597 672 HB3 LYS 7 HB3 LYS 7 33.553 39.545 24.864 673 HG2 LYS 7 HG2 LYS 7 32.218 38.160 26.280 674 HG3 LYS 7 HG3 LYS 7 33.028 36.680 25.742 675 HD2 LYS 7 HD2 LYS 7 35.083 37.290 26.870 676 HD3 LYS 7 HD3 LYS 7 34.419 38.874 27.344 677 HE2 LYS 7 HE2 LYS 7 32.790 37.880 28.788 678 HE3 LYS 7 HE3 LYS 7 33.044 36.269 28.094 679 HZ1 LYS 7 HZ1 LYS 7 35.138 37.684 29.658 680 HZ2 LYS 7 HZ2 LYS 7 34.089 36.567 30.274 681 HZ3 LYS 7 HZ3 LYS 7 35.164 36.136 29.116 682 H MET 8 H MET 8 31.546 40.183 23.090 683 HA MET 8 HA MET 8 29.018 39.212 24.075 684 HB2 MET 8 HB2 MET 8 29.620 41.633 23.953 685 HB3 MET 8 HB3 MET 8 29.426 41.560 22.190 686 HG2 MET 8 HG2 MET 8 27.085 40.801 22.484 687 HG3 MET 8 HG3 MET 8 27.291 40.799 24.235 688 HE1 MET 8 HE1 MET 8 24.871 42.123 24.149 689 HE2 MET 8 HE2 MET 8 24.658 43.597 23.178 690 HE3 MET 8 HE3 MET 8 25.001 42.057 22.370 691 H GLN 9 H GLN 9 30.333 39.333 20.717 692 HA GLN 9 HA GLN 9 28.027 38.350 19.392 693 HB2 GLN 9 HB2 GLN 9 30.059 39.278 18.282 694 HB3 GLN 9 HB3 GLN 9 30.957 37.849 18.775 695 HG2 GLN 9 HG2 GLN 9 28.797 36.700 17.438 696 HG3 GLN 9 HG3 GLN 9 28.962 38.224 16.600 697 HE21 GLN 9 HE21 GLN 9 31.245 36.563 14.492 698 HE22 GLN 9 HE22 GLN 9 29.716 37.413 14.666 699 H MET 10 H MET 10 30.757 36.468 20.844 700 HA MET 10 HA MET 10 29.742 33.884 20.310 701 HB2 MET 10 HB2 MET 10 32.013 34.357 21.130 702 HB3 MET 10 HB3 MET 10 31.361 34.873 22.691 703 HG2 MET 10 HG2 MET 10 30.372 32.554 22.959 704 HG3 MET 10 HG3 MET 10 31.243 32.073 21.503 705 HE1 MET 10 HE1 MET 10 33.830 31.721 21.367 706 HE2 MET 10 HE2 MET 10 34.063 33.452 21.711 707 HE3 MET 10 HE3 MET 10 34.970 32.237 22.629 708 H LEU 11 H LEU 11 29.047 36.026 23.116 709 HA LEU 11 HA LEU 11 27.237 34.190 24.398 710 HB2 LEU 11 HB2 LEU 11 27.583 37.204 24.568 711 HB3 LEU 11 HB3 LEU 11 26.443 36.316 25.571 712 HG LEU 11 HG LEU 11 29.428 35.696 25.560 713 HD11 LEU 11 HD11 LEU 11 27.816 37.509 27.403 714 HD12 LEU 11 HD12 LEU 11 29.498 36.988 27.679 715 HD13 LEU 11 HD13 LEU 11 29.106 38.002 26.284 716 HD21 LEU 11 HD21 LEU 11 28.032 33.871 26.435 717 HD22 LEU 11 HD22 LEU 11 28.910 34.654 27.744 718 HD23 LEU 11 HD23 LEU 11 27.183 35.014 27.508 719 H LYS 12 H LYS 12 26.648 36.682 21.882 720 HA LYS 12 HA LYS 12 23.770 36.389 21.926 721 HB2 LYS 12 HB2 LYS 12 25.003 38.364 20.999 722 HB3 LYS 12 HB3 LYS 12 25.622 37.352 19.702 723 HG2 LYS 12 HG2 LYS 12 23.799 38.721 18.904 724 HG3 LYS 12 HG3 LYS 12 23.347 37.022 18.829 725 HD2 LYS 12 HD2 LYS 12 21.986 37.279 20.883 726 HD3 LYS 12 HD3 LYS 12 22.436 38.992 20.995 727 HE2 LYS 12 HE2 LYS 12 21.163 37.821 18.495 728 HE3 LYS 12 HE3 LYS 12 20.158 38.256 19.875 729 HZ1 LYS 12 HZ1 LYS 12 21.984 40.265 18.674 730 HZ2 LYS 12 HZ2 LYS 12 20.472 39.983 18.096 731 HZ3 LYS 12 HZ3 LYS 12 20.675 40.510 19.639 732 H LEU 13 H LEU 13 26.311 34.749 20.058 733 HA LEU 13 HA LEU 13 24.509 33.028 18.580 734 HB2 LEU 13 HB2 LEU 13 27.450 32.796 19.324 735 HB3 LEU 13 HB3 LEU 13 26.627 31.676 18.242 736 HG LEU 13 HG LEU 13 26.739 34.674 17.684 737 HD11 LEU 13 HD11 LEU 13 29.039 33.832 17.827 738 HD12 LEU 13 HD12 LEU 13 28.637 32.505 16.713 739 HD13 LEU 13 HD13 LEU 13 28.599 34.195 16.151 740 HD21 LEU 13 HD21 LEU 13 25.016 33.414 16.432 741 HD22 LEU 13 HD22 LEU 13 26.311 33.972 15.367 742 HD23 LEU 13 HD23 LEU 13 26.256 32.270 15.874 743 H ASP 14 H ASP 14 26.191 32.585 21.740 744 HA ASP 14 HA ASP 14 25.078 29.998 22.308 745 HB2 ASP 14 HB2 ASP 14 26.051 32.264 24.074 746 HB3 ASP 14 HB3 ASP 14 25.363 30.792 24.747 747 H ASN 15 H ASN 15 23.696 33.282 22.779 748 HA ASN 15 HA ASN 15 21.408 32.509 24.230 749 HB2 ASN 15 HB2 ASN 15 22.372 34.865 23.602 750 HB3 ASN 15 HB3 ASN 15 21.387 34.733 22.138 751 HD21 ASN 15 HD21 ASN 15 19.622 35.232 25.817 752 HD22 ASN 15 HD22 ASN 15 21.144 34.340 25.685 753 H TYR 16 H TYR 16 21.812 32.771 20.692 754 HA TYR 16 HA TYR 16 19.222 31.855 19.904 755 HB2 TYR 16 HB2 TYR 16 20.666 33.028 18.387 756 HB3 TYR 16 HB3 TYR 16 21.953 31.854 18.568 757 HD1 TYR 16 HD1 TYR 16 18.644 32.488 17.026 758 HD2 TYR 16 HD2 TYR 16 21.935 29.731 17.395 759 HE1 TYR 16 HE1 TYR 16 17.765 31.172 15.094 760 HE2 TYR 16 HE2 TYR 16 21.034 28.399 15.489 761 HH TYR 16 HH TYR 16 19.261 28.076 14.117 762 H HIS 17 H HIS 17 22.258 29.973 20.503 763 HA HIS 17 HA HIS 17 21.152 27.424 19.774 764 HB2 HIS 17 HB2 HIS 17 23.552 27.723 19.915 765 HB3 HIS 17 HB3 HIS 17 23.428 28.202 21.615 766 HD2 HIS 17 HD2 HIS 17 23.250 25.055 19.388 767 HE1 HIS 17 HE1 HIS 17 23.222 23.700 23.428 768 HE2 HIS 17 HE2 HIS 17 23.303 22.952 20.998 769 H LEU 18 H LEU 18 21.402 29.013 22.962 770 HA LEU 18 HA LEU 18 20.187 26.888 24.419 771 HB2 LEU 18 HB2 LEU 18 20.501 29.859 24.967 772 HB3 LEU 18 HB3 LEU 18 19.852 28.735 26.143 773 HG LEU 18 HG LEU 18 22.612 28.331 24.915 774 HD11 LEU 18 HD11 LEU 18 23.543 29.391 26.891 775 HD12 LEU 18 HD12 LEU 18 22.490 30.535 26.063 776 HD13 LEU 18 HD13 LEU 18 21.920 29.723 27.543 777 HD21 LEU 18 HD21 LEU 18 21.301 27.298 27.480 778 HD22 LEU 18 HD22 LEU 18 21.651 26.350 26.014 779 HD23 LEU 18 HD23 LEU 18 22.980 27.003 26.968 780 H GLU 19 H GLU 19 18.619 29.812 22.943 781 HA GLU 19 HA GLU 19 16.019 28.945 23.974 782 HB2 GLU 19 HB2 GLU 19 15.076 30.858 22.987 783 HB3 GLU 19 HB3 GLU 19 16.599 31.256 23.786 784 HG2 GLU 19 HG2 GLU 19 17.594 31.061 21.340 785 HG3 GLU 19 HG3 GLU 19 15.941 31.199 20.835 786 H ASN 20 H ASN 20 17.806 27.843 21.298 787 HA ASN 20 HA ASN 20 15.422 26.508 20.084 788 HB2 ASN 20 HB2 ASN 20 17.229 27.123 18.578 789 HB3 ASN 20 HB3 ASN 20 18.418 26.329 19.573 790 HD21 ASN 20 HD21 ASN 20 18.145 23.487 17.550 791 HD22 ASN 20 HD22 ASN 20 19.191 24.594 18.401 792 H GLU 21 H GLU 21 18.217 25.645 22.244 793 HA GLU 21 HA GLU 21 17.488 22.886 22.528 794 HB2 GLU 21 HB2 GLU 21 19.718 23.768 23.038 795 HB3 GLU 21 HB3 GLU 21 19.063 24.760 24.327 796 HG2 GLU 21 HG2 GLU 21 20.166 22.932 25.340 797 HG3 GLU 21 HG3 GLU 21 18.442 22.699 25.593 798 H VAL 22 H VAL 22 16.585 25.720 24.560 799 HA VAL 22 HA VAL 22 14.921 24.284 26.404 800 HB VAL 22 HB VAL 22 14.821 27.165 25.422 801 HG11 VAL 22 HG11 VAL 22 13.409 27.620 27.439 802 HG12 VAL 22 HG12 VAL 22 12.575 26.664 26.222 803 HG13 VAL 22 HG13 VAL 22 13.224 25.869 27.680 804 HG21 VAL 22 HG21 VAL 22 15.757 27.630 27.675 805 HG22 VAL 22 HG22 VAL 22 15.761 25.895 28.045 806 HG23 VAL 22 HG23 VAL 22 16.807 26.550 26.766 807 H ALA 23 H ALA 23 14.152 25.621 23.152 808 HA ALA 23 HA ALA 23 11.360 24.940 23.254 809 HB1 ALA 23 HB1 ALA 23 11.429 25.316 20.832 810 HB2 ALA 23 HB2 ALA 23 12.322 26.586 21.682 811 HB3 ALA 23 HB3 ALA 23 13.203 25.293 20.844 812 H ARG 24 H ARG 24 14.230 23.085 22.104 813 HA ARG 24 HA ARG 24 12.817 20.741 21.226 814 HB2 ARG 24 HB2 ARG 24 15.230 21.219 20.786 815 HB3 ARG 24 HB3 ARG 24 15.586 20.945 22.491 816 HG2 ARG 24 HG2 ARG 24 14.624 18.579 22.206 817 HG3 ARG 24 HG3 ARG 24 14.528 18.920 20.476 818 HD2 ARG 24 HD2 ARG 24 16.539 17.674 20.912 819 HD3 ARG 24 HD3 ARG 24 17.002 19.315 20.463 820 HE ARG 24 HE ARG 24 17.881 19.676 22.594 821 HH11 ARG 24 HH11 ARG 24 16.077 16.636 22.790 822 HH12 ARG 24 HH12 ARG 24 16.778 16.285 24.358 823 HH21 ARG 24 HH21 ARG 24 18.710 19.072 24.544 824 HH22 ARG 24 HH22 ARG 24 18.095 17.570 25.290 825 H LEU 25 H LEU 25 14.201 21.507 24.445 826 HA LEU 25 HA LEU 25 13.318 19.073 25.672 827 HB2 LEU 25 HB2 LEU 25 14.084 21.798 26.771 828 HB3 LEU 25 HB3 LEU 25 13.714 20.425 27.814 829 HG LEU 25 HG LEU 25 15.838 20.204 25.643 830 HD11 LEU 25 HD11 LEU 25 17.513 20.742 27.293 831 HD12 LEU 25 HD12 LEU 25 16.416 22.112 27.091 832 HD13 LEU 25 HD13 LEU 25 16.267 21.067 28.528 833 HD21 LEU 25 HD21 LEU 25 15.063 18.082 26.651 834 HD22 LEU 25 HD22 LEU 25 16.713 18.448 27.138 835 HD23 LEU 25 HD23 LEU 25 15.383 18.728 28.279 836 H LYS 26 H LYS 26 11.697 22.287 25.514 837 HA LYS 26 HA LYS 26 9.388 21.433 27.027 838 HB2 LYS 26 HB2 LYS 26 9.813 23.702 25.050 839 HB3 LYS 26 HB3 LYS 26 8.295 23.449 25.927 840 HG2 LYS 26 HG2 LYS 26 9.402 23.703 28.092 841 HG3 LYS 26 HG3 LYS 26 10.987 23.740 27.330 842 HD2 LYS 26 HD2 LYS 26 10.581 25.983 27.828 843 HD3 LYS 26 HD3 LYS 26 10.264 25.842 26.105 844 HE2 LYS 26 HE2 LYS 26 8.511 27.176 26.854 845 HE3 LYS 26 HE3 LYS 26 7.759 25.586 26.754 846 HZ1 LYS 26 HZ1 LYS 26 8.078 25.389 29.177 847 HZ2 LYS 26 HZ2 LYS 26 8.784 26.876 29.244 848 HZ3 LYS 26 HZ3 LYS 26 7.203 26.711 28.799 849 H LYS 27 H LYS 27 10.062 21.182 23.498 850 HA LYS 27 HA LYS 27 7.525 19.918 22.890 851 HB2 LYS 27 HB2 LYS 27 9.025 20.854 21.144 852 HB3 LYS 27 HB3 LYS 27 10.200 19.565 21.459 853 HG2 LYS 27 HG2 LYS 27 8.526 17.853 20.798 854 HG3 LYS 27 HG3 LYS 27 7.302 19.108 20.626 855 HD2 LYS 27 HD2 LYS 27 7.965 18.476 18.459 856 HD3 LYS 27 HD3 LYS 27 8.629 20.088 18.740 857 HE2 LYS 27 HE2 LYS 27 10.859 19.183 19.082 858 HE3 LYS 27 HE3 LYS 27 10.238 17.522 19.099 859 HZ1 LYS 27 HZ1 LYS 27 11.233 18.175 16.912 860 HZ2 LYS 27 HZ2 LYS 27 9.676 17.706 16.782 861 HZ3 LYS 27 HZ3 LYS 27 10.050 19.296 16.716 862 H LEU 28 H LEU 28 10.664 18.503 23.892 863 HA LEU 28 HA LEU 28 9.852 15.794 23.702 864 HB2 LEU 28 HB2 LEU 28 12.186 16.532 23.861 865 HB3 LEU 28 HB3 LEU 28 11.910 17.138 25.493 866 HG LEU 28 HG LEU 28 11.500 14.829 26.306 867 HD11 LEU 28 HD11 LEU 28 12.262 14.014 23.461 868 HD12 LEU 28 HD12 LEU 28 12.135 12.911 24.845 869 HD13 LEU 28 HD13 LEU 28 10.693 13.731 24.252 870 HD21 LEU 28 HD21 LEU 28 14.111 15.148 24.772 871 HD22 LEU 28 HD22 LEU 28 13.759 15.845 26.365 872 HD23 LEU 28 HD23 LEU 28 13.828 14.088 26.163 873 H VAL 29 H VAL 29 9.559 18.033 26.499 874 HA VAL 29 HA VAL 29 8.177 16.068 28.165 875 HB VAL 29 HB VAL 29 8.265 19.101 28.331 876 HG11 VAL 29 HG11 VAL 29 7.497 18.807 30.666 877 HG12 VAL 29 HG12 VAL 29 6.278 18.213 29.534 878 HG13 VAL 29 HG13 VAL 29 7.310 17.061 30.394 879 HG21 VAL 29 HG21 VAL 29 9.857 18.691 30.187 880 HG22 VAL 29 HG22 VAL 29 9.764 16.942 29.892 881 HG23 VAL 29 HG23 VAL 29 10.482 18.017 28.680 882 H GLY 30 H GLY 30 7.038 18.672 25.940 883 HA2 GLY 30 HA2 GLY 30 5.156 18.586 24.593 884 HA3 GLY 30 HA3 GLY 30 4.622 17.112 25.401 885 H GLU 31 H GLU 31 5.345 19.831 27.417 886 HA GLU 31 HA GLU 31 2.435 20.261 27.992 887 HB2 GLU 31 HB2 GLU 31 4.830 19.975 29.820 888 HB3 GLU 31 HB3 GLU 31 3.331 20.665 30.401 889 HG2 GLU 31 HG2 GLU 31 3.317 17.941 29.064 890 HG3 GLU 31 HG3 GLU 31 3.756 18.156 30.750 891 H ARG 32 H ARG 32 2.939 22.322 29.929 892 HA ARG 32 HA ARG 32 3.429 24.664 28.144 893 HB2 ARG 32 HB2 ARG 32 0.990 23.949 29.811 894 HB3 ARG 32 HB3 ARG 32 1.275 25.565 29.172 895 HG2 ARG 32 HG2 ARG 32 0.791 25.005 27.016 896 HG3 ARG 32 HG3 ARG 32 1.459 23.388 27.116 897 HD2 ARG 32 HD2 ARG 32 -1.192 24.189 28.356 898 HD3 ARG 32 HD3 ARG 32 -0.984 23.446 26.760 899 HE ARG 32 HE ARG 32 0.286 21.839 28.801 900 HH11 ARG 32 HH11 ARG 32 -2.897 22.569 27.501 901 HH12 ARG 32 HH12 ARG 32 -3.568 21.112 28.222 902 HH21 ARG 32 HH21 ARG 32 -0.593 19.910 29.393 903 HH22 ARG 32 HH22 ARG 32 -2.299 19.607 29.106 Start of MODEL 9 1 H1 SER 2 H1 SER 2 24.814 26.357 46.874 2 H2 SER 2 H2 SER 2 24.258 25.397 48.093 3 H3 SER 2 H3 SER 2 23.999 24.993 46.517 4 HA SER 2 HA SER 2 26.461 24.895 48.073 5 HB2 SER 2 HB2 SER 2 26.608 22.597 47.190 6 HB3 SER 2 HB3 SER 2 25.088 22.889 48.063 7 HG SER 2 HG SER 2 24.556 21.869 46.172 8 H THR 3 H THR 3 26.683 23.443 44.954 9 HA THR 3 HA THR 3 28.347 23.799 43.379 10 HB THR 3 HB THR 3 27.739 25.599 41.823 11 HG1 THR 3 HG1 THR 3 27.095 27.070 43.463 12 HG21 THR 3 HG21 THR 3 25.295 24.142 42.910 13 HG22 THR 3 HG22 THR 3 25.539 24.791 41.272 14 HG23 THR 3 HG23 THR 3 26.515 23.431 41.829 15 H PHE 4 H PHE 4 29.873 24.208 45.386 16 HA PHE 4 HA PHE 4 30.898 26.904 45.651 17 HB2 PHE 4 HB2 PHE 4 32.085 24.300 46.657 18 HB3 PHE 4 HB3 PHE 4 32.441 25.919 47.239 19 HD1 PHE 4 HD1 PHE 4 31.256 23.193 48.562 20 HD2 PHE 4 HD2 PHE 4 29.684 27.091 47.567 21 HE1 PHE 4 HE1 PHE 4 29.568 22.984 50.365 22 HE2 PHE 4 HE2 PHE 4 28.001 26.870 49.363 23 HZ PHE 4 HZ PHE 4 27.918 24.807 50.756 24 H GLY 5 H GLY 5 33.008 27.643 45.333 25 HA2 GLY 5 HA2 GLY 5 35.320 27.156 44.589 26 HA3 GLY 5 HA3 GLY 5 34.645 26.292 43.207 27 H TYR 6 H TYR 6 36.450 28.149 42.682 28 HA TYR 6 HA TYR 6 35.881 30.804 42.407 29 HB2 TYR 6 HB2 TYR 6 38.030 29.868 41.865 30 HB3 TYR 6 HB3 TYR 6 37.354 28.978 40.503 31 HD1 TYR 6 HD1 TYR 6 37.872 32.476 41.783 32 HD2 TYR 6 HD2 TYR 6 37.341 29.942 38.328 33 HE1 TYR 6 HE1 TYR 6 38.279 34.420 40.288 34 HE2 TYR 6 HE2 TYR 6 37.810 31.879 36.850 35 HH TYR 6 HH TYR 6 38.178 34.112 36.724 36 H ARG 7 H ARG 7 34.123 31.693 41.819 37 HA ARG 7 HA ARG 7 32.207 32.328 40.812 38 HB2 ARG 7 HB2 ARG 7 33.913 31.973 38.324 39 HB3 ARG 7 HB3 ARG 7 32.418 32.921 38.428 40 HG2 ARG 7 HG2 ARG 7 33.436 34.308 40.246 41 HG3 ARG 7 HG3 ARG 7 34.965 33.434 40.034 42 HD2 ARG 7 HD2 ARG 7 35.093 34.208 37.699 43 HD3 ARG 7 HD3 ARG 7 33.574 35.115 37.926 44 HE ARG 7 HE ARG 7 35.180 36.010 39.984 45 HH11 ARG 7 HH11 ARG 7 35.405 36.210 36.461 46 HH12 ARG 7 HH12 ARG 7 36.577 37.541 36.617 47 HH21 ARG 7 HH21 ARG 7 36.596 37.804 39.913 48 HH22 ARG 7 HH22 ARG 7 37.143 38.310 38.311 49 H ARG 8 H ARG 8 32.460 29.309 41.163 50 HA ARG 8 HA ARG 8 30.891 28.118 39.031 51 HB2 ARG 8 HB2 ARG 8 31.472 27.160 41.874 52 HB3 ARG 8 HB3 ARG 8 30.711 26.186 40.620 53 HG2 ARG 8 HG2 ARG 8 33.568 27.233 40.617 54 HG3 ARG 8 HG3 ARG 8 33.016 25.562 40.759 55 HD2 ARG 8 HD2 ARG 8 31.971 25.836 38.441 56 HD3 ARG 8 HD3 ARG 8 32.828 27.370 38.306 57 HE ARG 8 HE ARG 8 33.957 24.629 38.298 58 HH11 ARG 8 HH11 ARG 8 34.827 28.070 38.164 59 HH12 ARG 8 HH12 ARG 8 36.031 27.710 36.936 60 HH21 ARG 8 HH21 ARG 8 35.820 24.317 37.236 61 HH22 ARG 8 HH22 ARG 8 36.898 25.658 36.929 62 H GLY 9 H GLY 9 29.824 30.128 41.525 63 HA2 GLY 9 HA2 GLY 9 27.026 29.212 41.381 64 HA3 GLY 9 HA3 GLY 9 27.636 30.632 42.234 65 H LEU 10 H LEU 10 28.823 30.648 39.017 66 HA LEU 10 HA LEU 10 26.679 32.492 38.052 67 HB2 LEU 10 HB2 LEU 10 29.682 32.986 38.080 68 HB3 LEU 10 HB3 LEU 10 28.467 34.057 37.406 69 HG LEU 10 HG LEU 10 28.624 33.412 40.368 70 HD11 LEU 10 HD11 LEU 10 29.644 35.834 38.832 71 HD12 LEU 10 HD12 LEU 10 29.636 35.633 40.597 72 HD13 LEU 10 HD13 LEU 10 30.654 34.584 39.595 73 HD21 LEU 10 HD21 LEU 10 26.386 34.190 39.572 74 HD22 LEU 10 HD22 LEU 10 27.189 35.417 40.571 75 HD23 LEU 10 HD23 LEU 10 27.158 35.590 38.807 76 H SER 11 H SER 11 27.272 33.214 35.741 77 HA SER 11 HA SER 11 27.039 31.147 33.905 78 HB2 SER 11 HB2 SER 11 26.444 33.432 33.353 79 HB3 SER 11 HB3 SER 11 28.110 33.971 33.579 80 HG SER 11 HG SER 11 27.021 32.431 31.481 81 H LYS 12 H LYS 12 28.316 30.184 32.328 82 HA LYS 12 HA LYS 12 31.064 29.529 32.855 83 HB2 LYS 12 HB2 LYS 12 31.080 28.501 30.674 84 HB3 LYS 12 HB3 LYS 12 29.554 28.149 31.485 85 HG2 LYS 12 HG2 LYS 12 28.518 30.051 30.148 86 HG3 LYS 12 HG3 LYS 12 30.019 30.158 29.233 87 HD2 LYS 12 HD2 LYS 12 28.368 27.604 29.443 88 HD3 LYS 12 HD3 LYS 12 28.108 28.828 28.193 89 HE2 LYS 12 HE2 LYS 12 30.412 28.569 27.386 90 HE3 LYS 12 HE3 LYS 12 30.746 27.368 28.651 91 HZ1 LYS 12 HZ1 LYS 12 30.131 26.407 26.428 92 HZ2 LYS 12 HZ2 LYS 12 29.205 25.867 27.649 93 HZ3 LYS 12 HZ3 LYS 12 28.617 26.995 26.607 94 H TYR 13 H TYR 13 29.741 32.397 31.379 95 HA TYR 13 HA TYR 13 32.312 33.203 30.170 96 HB2 TYR 13 HB2 TYR 13 29.535 34.402 30.294 97 HB3 TYR 13 HB3 TYR 13 30.915 35.367 29.793 98 HD1 TYR 13 HD1 TYR 13 28.871 32.386 28.908 99 HD2 TYR 13 HD2 TYR 13 32.037 35.050 27.699 100 HE1 TYR 13 HE1 TYR 13 28.886 31.353 26.633 101 HE2 TYR 13 HE2 TYR 13 32.024 34.033 25.425 102 HH TYR 13 HH TYR 13 29.921 31.267 24.607 103 H GLU 14 H GLU 14 31.029 33.413 33.374 104 HA GLU 14 HA GLU 14 32.224 36.014 34.008 105 HB2 GLU 14 HB2 GLU 14 30.994 33.811 35.682 106 HB3 GLU 14 HB3 GLU 14 31.654 35.276 36.382 107 HG2 GLU 14 HG2 GLU 14 29.721 35.700 34.123 108 HG3 GLU 14 HG3 GLU 14 29.053 34.995 35.574 109 H SER 15 H SER 15 33.653 32.920 33.614 110 HA SER 15 HA SER 15 35.437 32.871 35.798 111 HB2 SER 15 HB2 SER 15 34.759 30.988 34.287 112 HB3 SER 15 HB3 SER 15 35.925 31.595 33.091 113 HG SER 15 HG SER 15 36.581 29.907 34.800 114 H ILE 16 H ILE 16 35.669 35.046 33.181 115 HA ILE 16 HA ILE 16 38.368 35.903 34.060 116 HB ILE 16 HB ILE 16 37.598 35.594 31.133 117 HG12 ILE 16 HG12 ILE 16 39.774 34.157 32.722 118 HG13 ILE 16 HG13 ILE 16 38.257 33.435 32.187 119 HG21 ILE 16 HG21 ILE 16 38.937 37.653 31.530 120 HG22 ILE 16 HG22 ILE 16 40.167 36.688 32.376 121 HG23 ILE 16 HG23 ILE 16 39.866 36.470 30.641 122 HD11 ILE 16 HD11 ILE 16 38.913 33.874 29.805 123 HD12 ILE 16 HD12 ILE 16 40.526 34.349 30.400 124 HD13 ILE 16 HD13 ILE 16 39.930 32.711 30.675 125 H ASP 17 H ASP 17 38.441 38.039 34.412 126 HA ASP 17 HA ASP 17 36.156 39.684 34.459 127 HB2 ASP 17 HB2 ASP 17 39.083 40.523 34.456 128 HB3 ASP 17 HB3 ASP 17 37.728 41.517 34.975 129 H GLU 18 H GLU 18 35.495 41.532 33.302 130 HA GLU 18 HA GLU 18 36.871 42.119 30.716 131 HB2 GLU 18 HB2 GLU 18 34.316 43.351 31.805 132 HB3 GLU 18 HB3 GLU 18 35.036 43.572 30.220 133 HG2 GLU 18 HG2 GLU 18 33.436 42.023 29.703 134 HG3 GLU 18 HG3 GLU 18 34.830 40.991 29.934 135 H ASP 19 H ASP 19 36.646 43.362 33.996 136 HA ASP 19 HA ASP 19 37.070 46.060 33.655 137 HB2 ASP 19 HB2 ASP 19 38.214 44.266 35.833 138 HB3 ASP 19 HB3 ASP 19 38.075 46.021 35.928 139 H GLU 20 H GLU 20 39.710 43.631 33.877 140 HA GLU 20 HA GLU 20 41.795 45.616 33.536 141 HB2 GLU 20 HB2 GLU 20 43.310 43.752 33.422 142 HB3 GLU 20 HB3 GLU 20 42.168 43.524 34.741 143 HG2 GLU 20 HG2 GLU 20 40.889 41.898 33.355 144 HG3 GLU 20 HG3 GLU 20 42.015 42.153 32.015 145 H LEU 21 H LEU 21 39.666 44.152 31.270 146 HA LEU 21 HA LEU 21 41.485 44.496 28.967 147 HB2 LEU 21 HB2 LEU 21 38.571 43.678 29.011 148 HB3 LEU 21 HB3 LEU 21 39.685 43.580 27.651 149 HG LEU 21 HG LEU 21 39.874 41.951 30.226 150 HD11 LEU 21 HD11 LEU 21 39.246 40.065 28.811 151 HD12 LEU 21 HD12 LEU 21 37.997 41.308 28.759 152 HD13 LEU 21 HD13 LEU 21 39.116 41.135 27.388 153 HD21 LEU 21 HD21 LEU 21 41.532 41.785 27.663 154 HD22 LEU 21 HD22 LEU 21 42.119 42.334 29.254 155 HD23 LEU 21 HD23 LEU 21 41.612 40.664 29.046 156 H LEU 22 H LEU 22 38.835 46.172 30.534 157 HA LEU 22 HA LEU 22 38.298 48.015 28.334 158 HB2 LEU 22 HB2 LEU 22 37.365 47.760 31.217 159 HB3 LEU 22 HB3 LEU 22 36.798 49.045 30.164 160 HG LEU 22 HG LEU 22 36.470 46.137 29.346 161 HD11 LEU 22 HD11 LEU 22 34.199 46.228 30.296 162 HD12 LEU 22 HD12 LEU 22 35.435 46.367 31.554 163 HD13 LEU 22 HD13 LEU 22 34.555 47.817 31.014 164 HD21 LEU 22 HD21 LEU 22 36.103 47.888 27.618 165 HD22 LEU 22 HD22 LEU 22 34.597 47.057 28.036 166 HD23 LEU 22 HD23 LEU 22 34.921 48.682 28.672 167 H ALA 23 H ALA 23 40.199 48.265 31.321 168 HA ALA 23 HA ALA 23 39.811 50.893 31.909 169 HB1 ALA 23 HB1 ALA 23 41.797 50.679 33.342 170 HB2 ALA 23 HB2 ALA 23 40.867 49.175 33.346 171 HB3 ALA 23 HB3 ALA 23 42.360 49.285 32.392 172 H SER 24 H SER 24 41.987 49.901 29.351 173 HA SER 24 HA SER 24 43.473 52.455 29.279 174 HB2 SER 24 HB2 SER 24 44.735 51.252 27.496 175 HB3 SER 24 HB3 SER 24 44.726 50.400 29.050 176 HG SER 24 HG SER 24 44.299 49.058 27.219 177 H LEU 25 H LEU 25 40.546 51.346 27.882 178 HA LEU 25 HA LEU 25 41.126 52.013 25.156 179 HB2 LEU 25 HB2 LEU 25 38.483 51.467 26.552 180 HB3 LEU 25 HB3 LEU 25 38.697 51.568 24.809 181 HG LEU 25 HG LEU 25 39.912 49.471 26.660 182 HD11 LEU 25 HD11 LEU 25 37.910 49.250 24.373 183 HD12 LEU 25 HD12 LEU 25 38.505 47.924 25.409 184 HD13 LEU 25 HD13 LEU 25 37.512 49.213 26.103 185 HD21 LEU 25 HD21 LEU 25 41.567 49.857 24.953 186 HD22 LEU 25 HD22 LEU 25 40.682 48.397 24.527 187 HD23 LEU 25 HD23 LEU 25 40.330 49.915 23.680 188 H SER 26 H SER 26 40.615 53.579 23.824 189 HA SER 26 HA SER 26 39.799 56.245 24.707 190 HB2 SER 26 HB2 SER 26 39.766 56.762 22.317 191 HB3 SER 26 HB3 SER 26 41.276 55.958 22.780 192 HG SER 26 HG SER 26 40.500 54.034 21.929 193 H ALA 27 H ALA 27 37.806 57.328 23.882 194 HA ALA 27 HA ALA 27 35.425 55.828 24.412 195 HB1 ALA 27 HB1 ALA 27 35.756 58.446 22.926 196 HB2 ALA 27 HB2 ALA 27 34.277 57.843 23.690 197 HB3 ALA 27 HB3 ALA 27 35.669 58.294 24.699 198 H GLU 28 H GLU 28 37.044 56.690 21.333 199 HA GLU 28 HA GLU 28 35.274 55.574 19.467 200 HB2 GLU 28 HB2 GLU 28 38.318 55.721 19.614 201 HB3 GLU 28 HB3 GLU 28 37.473 55.048 18.230 202 HG2 GLU 28 HG2 GLU 28 38.093 57.300 17.753 203 HG3 GLU 28 HG3 GLU 28 36.343 57.133 17.783 204 H GLU 29 H GLU 29 37.891 53.849 21.266 205 HA GLU 29 HA GLU 29 37.242 51.252 20.141 206 HB2 GLU 29 HB2 GLU 29 38.803 52.133 22.582 207 HB3 GLU 29 HB3 GLU 29 38.643 50.439 22.111 208 HG2 GLU 29 HG2 GLU 29 39.867 50.712 20.116 209 HG3 GLU 29 HG3 GLU 29 39.705 52.467 20.124 210 H LEU 30 H LEU 30 36.094 52.984 23.037 211 HA LEU 30 HA LEU 30 34.537 50.730 24.028 212 HB2 LEU 30 HB2 LEU 30 34.343 53.727 24.494 213 HB3 LEU 30 HB3 LEU 30 33.325 52.555 25.319 214 HG LEU 30 HG LEU 30 36.372 52.458 25.475 215 HD11 LEU 30 HD11 LEU 30 35.623 54.606 26.369 216 HD12 LEU 30 HD12 LEU 30 34.417 53.790 27.393 217 HD13 LEU 30 HD13 LEU 30 36.160 53.538 27.672 218 HD21 LEU 30 HD21 LEU 30 35.211 50.365 26.112 219 HD22 LEU 30 HD22 LEU 30 35.961 51.143 27.509 220 HD23 LEU 30 HD23 LEU 30 34.204 51.272 27.260 221 H LYS 31 H LYS 31 33.772 53.433 21.779 222 HA LYS 31 HA LYS 31 31.024 52.628 21.425 223 HB2 LYS 31 HB2 LYS 31 31.963 54.914 20.998 224 HB3 LYS 31 HB3 LYS 31 32.809 54.274 19.598 225 HG2 LYS 31 HG2 LYS 31 30.817 55.437 18.896 226 HG3 LYS 31 HG3 LYS 31 30.657 53.735 18.513 227 HD2 LYS 31 HD2 LYS 31 28.552 54.633 19.278 228 HD3 LYS 31 HD3 LYS 31 29.123 53.457 20.444 229 HE2 LYS 31 HE2 LYS 31 29.941 55.330 21.910 230 HE3 LYS 31 HE3 LYS 31 29.343 56.485 20.699 231 HZ1 LYS 31 HZ1 LYS 31 27.648 56.264 22.354 232 HZ2 LYS 31 HZ2 LYS 31 27.110 55.446 21.041 233 HZ3 LYS 31 HZ3 LYS 31 27.688 54.609 22.316 234 H GLU 32 H GLU 32 34.002 51.651 19.750 235 HA GLU 32 HA GLU 32 32.775 49.916 17.805 236 HB2 GLU 32 HB2 GLU 32 35.055 50.579 17.557 237 HB3 GLU 32 HB3 GLU 32 35.473 50.012 19.169 238 HG2 GLU 32 HG2 GLU 32 36.428 48.585 17.508 239 HG3 GLU 32 HG3 GLU 32 35.287 47.691 18.489 240 H LEU 33 H LEU 33 33.330 49.454 21.296 241 HA LEU 33 HA LEU 33 32.381 46.662 21.170 242 HB2 LEU 33 HB2 LEU 33 32.813 48.530 23.534 243 HB3 LEU 33 HB3 LEU 33 32.344 46.848 23.665 244 HG LEU 33 HG LEU 33 34.931 47.772 22.342 245 HD11 LEU 33 HD11 LEU 33 36.034 47.039 24.413 246 HD12 LEU 33 HD12 LEU 33 34.924 48.379 24.711 247 HD13 LEU 33 HD13 LEU 33 34.447 46.725 25.157 248 HD21 LEU 33 HD21 LEU 33 34.035 45.037 23.318 249 HD22 LEU 33 HD22 LEU 33 34.187 45.535 21.616 250 HD23 LEU 33 HD23 LEU 33 35.622 45.431 22.628 251 H GLU 34 H GLU 34 30.953 49.863 21.958 252 HA GLU 34 HA GLU 34 28.333 48.849 22.505 253 HB2 GLU 34 HB2 GLU 34 29.116 51.525 21.349 254 HB3 GLU 34 HB3 GLU 34 27.502 51.100 21.916 255 HG2 GLU 34 HG2 GLU 34 28.447 50.691 24.200 256 HG3 GLU 34 HG3 GLU 34 30.016 51.230 23.614 257 H ARG 35 H ARG 35 29.957 49.295 19.399 258 HA ARG 35 HA ARG 35 27.732 49.044 17.639 259 HB2 ARG 35 HB2 ARG 35 30.046 49.634 16.968 260 HB3 ARG 35 HB3 ARG 35 30.574 47.981 17.300 261 HG2 ARG 35 HG2 ARG 35 29.248 47.087 15.491 262 HG3 ARG 35 HG3 ARG 35 28.380 48.609 15.304 263 HD2 ARG 35 HD2 ARG 35 29.915 48.595 13.516 264 HD3 ARG 35 HD3 ARG 35 30.606 49.693 14.686 265 HE ARG 35 HE ARG 35 32.299 48.116 15.244 266 HH11 ARG 35 HH11 ARG 35 30.484 47.003 12.409 267 HH12 ARG 35 HH12 ARG 35 31.874 46.137 11.814 268 HH21 ARG 35 HH21 ARG 35 33.873 46.896 14.536 269 HH22 ARG 35 HH22 ARG 35 33.747 46.052 12.989 270 H GLU 36 H GLU 36 29.308 46.546 19.572 271 HA GLU 36 HA GLU 36 27.647 44.446 18.309 272 HB2 GLU 36 HB2 GLU 36 30.111 44.167 18.988 273 HB3 GLU 36 HB3 GLU 36 29.541 44.127 20.651 274 HG2 GLU 36 HG2 GLU 36 29.941 41.876 19.656 275 HG3 GLU 36 HG3 GLU 36 28.296 42.066 20.222 276 H LEU 37 H LEU 37 26.910 46.814 20.370 277 HA LEU 37 HA LEU 37 24.979 45.205 21.975 278 HB2 LEU 37 HB2 LEU 37 26.632 47.593 22.850 279 HB3 LEU 37 HB3 LEU 37 25.378 46.840 23.806 280 HG LEU 37 HG LEU 37 27.922 45.397 22.946 281 HD11 LEU 37 HD11 LEU 37 28.622 45.694 25.276 282 HD12 LEU 37 HD12 LEU 37 28.409 47.253 24.474 283 HD13 LEU 37 HD13 LEU 37 27.172 46.663 25.617 284 HD21 LEU 37 HD21 LEU 37 26.067 43.847 23.408 285 HD22 LEU 37 HD22 LEU 37 27.252 43.784 24.710 286 HD23 LEU 37 HD23 LEU 37 25.727 44.670 24.950 287 H GLU 38 H GLU 38 24.957 47.046 19.428 288 HA GLU 38 HA GLU 38 23.116 49.183 19.793 289 HB2 GLU 38 HB2 GLU 38 23.529 47.253 17.473 290 HB3 GLU 38 HB3 GLU 38 22.606 48.740 17.357 291 HG2 GLU 38 HG2 GLU 38 25.558 48.640 18.127 292 HG3 GLU 38 HG3 GLU 38 24.991 48.768 16.468 293 H ASP 39 H ASP 39 22.549 45.674 19.212 294 HA ASP 39 HA ASP 39 19.727 45.773 18.922 295 HB2 ASP 39 HB2 ASP 39 20.642 43.372 20.337 296 HB3 ASP 39 HB3 ASP 39 19.835 43.534 18.791 297 H ILE 40 H ILE 40 21.776 45.521 21.779 298 HA ILE 40 HA ILE 40 19.606 45.338 23.702 299 HB ILE 40 HB ILE 40 22.548 45.909 24.179 300 HG12 ILE 40 HG12 ILE 40 22.521 43.906 22.841 301 HG13 ILE 40 HG13 ILE 40 22.911 43.501 24.494 302 HG21 ILE 40 HG21 ILE 40 21.260 46.237 26.210 303 HG22 ILE 40 HG22 ILE 40 20.404 44.709 25.977 304 HG23 ILE 40 HG23 ILE 40 22.139 44.715 26.357 305 HD11 ILE 40 HD11 ILE 40 21.390 41.852 23.475 306 HD12 ILE 40 HD12 ILE 40 20.623 42.633 24.866 307 HD13 ILE 40 HD13 ILE 40 20.168 43.101 23.209 308 H GLU 41 H GLU 41 21.198 48.059 22.197 309 HA GLU 41 HA GLU 41 20.877 50.008 24.240 310 HB2 GLU 41 HB3 GLU 41 22.239 50.309 22.161 311 HB3 GLU 41 HB2 GLU 41 20.756 50.434 21.223 312 HG2 GLU 41 HG2 GLU 41 21.795 52.641 21.718 313 HG3 GLU 41 HG3 GLU 41 20.134 52.507 22.280 314 H1 GLY 0 H1 GLY 0 28.827 55.202 26.596 315 H2 GLY 0 H2 GLY 0 28.178 54.197 27.739 316 H3 GLY 0 H3 GLY 0 28.949 53.588 26.393 317 HA2 GLY 0 HA2 GLY 0 31.030 54.533 27.118 318 HA3 GLY 0 HA3 GLY 0 30.186 55.149 28.556 319 H MET 1 H MET 1 32.266 53.748 29.166 320 HA MET 1 HA MET 1 32.264 50.930 29.164 321 HB2 MET 1 HB2 MET 1 34.168 52.405 29.771 322 HB3 MET 1 HB3 MET 1 33.348 52.823 31.284 323 HG2 MET 1 HG2 MET 1 33.404 50.398 31.938 324 HG3 MET 1 HG3 MET 1 34.239 50.050 30.425 325 HE1 MET 1 HE1 MET 1 34.499 51.221 34.107 326 HE2 MET 1 HE2 MET 1 36.030 52.110 34.162 327 HE3 MET 1 HE3 MET 1 34.628 52.818 33.334 328 H ASP 2 H ASP 2 30.726 53.125 31.526 329 HA ASP 2 HA ASP 2 29.950 51.145 33.445 330 HB2 ASP 2 HB2 ASP 2 30.143 53.492 33.947 331 HB3 ASP 2 HB3 ASP 2 28.972 53.918 32.703 332 H ALA 3 H ALA 3 28.108 52.580 30.688 333 HA ALA 3 HA ALA 3 25.804 50.889 31.005 334 HB1 ALA 3 HB1 ALA 3 25.231 51.695 28.750 335 HB2 ALA 3 HB2 ALA 3 25.754 53.027 29.794 336 HB3 ALA 3 HB3 ALA 3 26.860 52.376 28.560 337 H ILE 4 H ILE 4 28.835 50.495 29.105 338 HA ILE 4 HA ILE 4 28.096 48.107 27.714 339 HB ILE 4 HB ILE 4 30.783 49.183 28.605 340 HG12 ILE 4 HG12 ILE 4 29.698 48.914 25.772 341 HG13 ILE 4 HG13 ILE 4 29.357 50.327 26.755 342 HG21 ILE 4 HG21 ILE 4 31.117 46.789 28.455 343 HG22 ILE 4 HG22 ILE 4 30.253 46.710 26.905 344 HG23 ILE 4 HG23 ILE 4 31.826 47.518 27.030 345 HD11 ILE 4 HD11 ILE 4 32.112 49.395 25.852 346 HD12 ILE 4 HD12 ILE 4 31.251 50.866 25.392 347 HD13 ILE 4 HD13 ILE 4 31.839 50.691 27.038 348 H LYS 5 H LYS 5 29.675 48.471 30.955 349 HA LYS 5 HA LYS 5 29.707 45.666 31.594 350 HB2 LYS 5 HB2 LYS 5 29.533 48.136 33.369 351 HB3 LYS 5 HB3 LYS 5 29.701 46.485 33.980 352 HG2 LYS 5 HG2 LYS 5 31.815 46.206 32.724 353 HG3 LYS 5 HG3 LYS 5 31.697 47.873 32.140 354 HD2 LYS 5 HD2 LYS 5 31.703 48.679 34.517 355 HD3 LYS 5 HD3 LYS 5 31.861 46.997 35.054 356 HE2 LYS 5 HE2 LYS 5 33.966 46.893 33.544 357 HE3 LYS 5 HE3 LYS 5 33.833 48.660 33.442 358 HZ1 LYS 5 HZ1 LYS 5 33.790 48.466 36.034 359 HZ2 LYS 5 HZ2 LYS 5 34.459 46.993 35.793 360 HZ3 LYS 5 HZ3 LYS 5 35.219 48.338 35.272 361 H LYS 6 H LYS 6 27.179 48.106 32.305 362 HA LYS 6 HA LYS 6 25.402 46.293 33.630 363 HB2 LYS 6 HB2 LYS 6 24.970 48.951 32.214 364 HB3 LYS 6 HB3 LYS 6 23.681 48.112 33.096 365 HG2 LYS 6 HG2 LYS 6 24.864 48.223 35.178 366 HG3 LYS 6 HG3 LYS 6 26.367 48.720 34.401 367 HD2 LYS 6 HD2 LYS 6 25.329 50.884 33.752 368 HD3 LYS 6 HD3 LYS 6 23.854 50.424 34.642 369 HE2 LYS 6 HE2 LYS 6 25.161 50.197 36.730 370 HE3 LYS 6 HE3 LYS 6 26.663 50.466 35.838 371 HZ1 LYS 6 HZ1 LYS 6 26.087 52.460 36.901 372 HZ2 LYS 6 HZ2 LYS 6 25.923 52.692 35.318 373 HZ3 LYS 6 HZ3 LYS 6 24.566 52.526 36.272 374 H LYS 7 H LYS 7 25.555 47.143 30.160 375 HA LYS 7 HA LYS 7 23.435 45.362 29.314 376 HB2 LYS 7 HB2 LYS 7 25.872 46.494 27.874 377 HB3 LYS 7 HB3 LYS 7 24.685 45.439 27.103 378 HG2 LYS 7 HG2 LYS 7 22.880 47.086 27.655 379 HG3 LYS 7 HG3 LYS 7 24.112 48.196 28.279 380 HD2 LYS 7 HD2 LYS 7 25.264 48.171 26.088 381 HD3 LYS 7 HD3 LYS 7 24.067 47.003 25.480 382 HE2 LYS 7 HE2 LYS 7 22.275 48.651 25.697 383 HE3 LYS 7 HE3 LYS 7 23.403 49.811 26.406 384 HZ1 LYS 7 HZ1 LYS 7 23.569 48.774 23.607 385 HZ2 LYS 7 HZ2 LYS 7 23.120 50.286 24.108 386 HZ3 LYS 7 HZ3 LYS 7 24.632 49.860 24.319 387 H MET 8 H MET 8 27.013 44.808 29.473 388 HA MET 8 HA MET 8 26.896 42.105 28.566 389 HB2 MET 8 HB2 MET 8 28.869 43.505 30.406 390 HB3 MET 8 HB3 MET 8 29.057 41.833 29.864 391 HG2 MET 8 HG2 MET 8 28.950 42.628 27.487 392 HG3 MET 8 HG3 MET 8 28.994 44.283 28.071 393 HE1 MET 8 HE1 MET 8 31.269 43.571 30.683 394 HE2 MET 8 HE2 MET 8 32.579 44.382 29.803 395 HE3 MET 8 HE3 MET 8 30.943 45.077 29.797 396 H GLN 9 H GLN 9 26.480 43.405 31.902 397 HA GLN 9 HA GLN 9 26.266 40.883 33.169 398 HB2 GLN 9 HB2 GLN 9 26.548 43.056 34.324 399 HB3 GLN 9 HB3 GLN 9 24.897 43.495 33.888 400 HG2 GLN 9 HG2 GLN 9 24.912 42.762 36.173 401 HG3 GLN 9 HG3 GLN 9 24.052 41.556 35.237 402 HE21 GLN 9 HE21 GLN 9 27.255 40.414 37.395 403 HE22 GLN 9 HE22 GLN 9 26.654 42.078 37.459 404 H MET 10 H MET 10 23.713 42.690 31.354 405 HA MET 10 HA MET 10 21.600 40.820 32.058 406 HB2 MET 10 HB2 MET 10 21.862 42.559 29.567 407 HB3 MET 10 HB3 MET 10 20.428 41.664 30.081 408 HG2 MET 10 HG2 MET 10 20.557 42.959 32.274 409 HG3 MET 10 HG3 MET 10 21.719 44.023 31.478 410 HE1 MET 10 HE1 MET 10 20.550 44.279 28.491 411 HE2 MET 10 HE2 MET 10 19.517 45.709 28.687 412 HE3 MET 10 HE3 MET 10 21.109 45.660 29.473 413 H LEU 11 H LEU 11 23.953 40.886 29.337 414 HA LEU 11 HA LEU 11 22.946 38.483 28.103 415 HB2 LEU 11 HB2 LEU 11 25.714 39.748 27.993 416 HB3 LEU 11 HB3 LEU 11 25.138 38.465 26.929 417 HG LEU 11 HG LEU 11 23.916 41.255 27.063 418 HD11 LEU 11 HD11 LEU 11 25.033 41.605 24.901 419 HD12 LEU 11 HD12 LEU 11 26.217 41.286 26.176 420 HD13 LEU 11 HD13 LEU 11 25.795 40.004 25.018 421 HD21 LEU 11 HD21 LEU 11 23.484 38.927 25.131 422 HD22 LEU 11 HD22 LEU 11 22.290 39.584 26.268 423 HD23 LEU 11 HD23 LEU 11 22.848 40.572 24.917 424 H LYS 12 H LYS 12 25.451 38.966 30.601 425 HA LYS 12 HA LYS 12 26.258 36.208 30.908 426 HB2 LYS 12 HB2 LYS 12 26.156 38.554 32.858 427 HB3 LYS 12 HB3 LYS 12 26.813 36.976 33.275 428 HG2 LYS 12 HG2 LYS 12 28.601 37.165 31.691 429 HG3 LYS 12 HG3 LYS 12 27.936 38.649 30.992 430 HD2 LYS 12 HD2 LYS 12 28.274 39.857 33.113 431 HD3 LYS 12 HD3 LYS 12 28.769 38.367 33.906 432 HE2 LYS 12 HE2 LYS 12 30.681 38.250 32.179 433 HE3 LYS 12 HE3 LYS 12 30.252 39.898 31.727 434 HZ1 LYS 12 HZ1 LYS 12 31.983 39.976 33.330 435 HZ2 LYS 12 HZ2 LYS 12 30.664 40.502 34.120 436 HZ3 LYS 12 HZ3 LYS 12 31.165 38.980 34.405 437 H LEU 13 H LEU 13 23.684 38.101 32.545 438 HA LEU 13 HA LEU 13 22.745 35.921 34.142 439 HB2 LEU 13 HB2 LEU 13 21.476 38.532 33.259 440 HB3 LEU 13 HB3 LEU 13 20.681 37.417 34.364 441 HG LEU 13 HG LEU 13 23.456 38.545 34.948 442 HD11 LEU 13 HD11 LEU 13 22.340 40.183 36.411 443 HD12 LEU 13 HD12 LEU 13 21.872 40.413 34.714 444 HD13 LEU 13 HD13 LEU 13 20.754 39.626 35.835 445 HD21 LEU 13 HD21 LEU 13 22.859 36.548 36.242 446 HD22 LEU 13 HD22 LEU 13 22.903 37.984 37.261 447 HD23 LEU 13 HD23 LEU 13 21.329 37.310 36.734 448 H ASP 14 H ASP 14 21.543 37.086 30.921 449 HA ASP 14 HA ASP 14 19.574 35.046 30.590 450 HB2 ASP 14 HB2 ASP 14 21.326 36.543 28.611 451 HB3 ASP 14 HB3 ASP 14 20.180 35.310 28.100 452 H ASN 15 H ASN 15 23.089 34.936 29.785 453 HA ASN 15 HA ASN 15 23.039 32.280 28.729 454 HB2 ASN 15 HB2 ASN 15 24.776 34.046 28.381 455 HB3 ASN 15 HB3 ASN 15 25.348 33.800 30.029 456 HD21 ASN 15 HD21 ASN 15 26.289 31.150 27.071 457 HD22 ASN 15 HD22 ASN 15 25.076 32.410 26.810 458 H TYR 16 H TYR 16 23.422 33.433 32.065 459 HA TYR 16 HA TYR 16 23.950 30.838 33.276 460 HB2 TYR 16 HB2 TYR 16 24.510 33.001 34.307 461 HB3 TYR 16 HB3 TYR 16 22.825 33.455 34.352 462 HD1 TYR 16 HD1 TYR 16 21.551 33.029 36.303 463 HD2 TYR 16 HD2 TYR 16 25.206 30.844 35.602 464 HE1 TYR 16 HE1 TYR 16 21.528 32.220 38.662 465 HE2 TYR 16 HE2 TYR 16 25.198 30.064 37.962 466 HH TYR 16 HH TYR 16 24.348 30.879 40.090 467 H HIS 17 H HIS 17 20.999 32.838 32.875 468 HA HIS 17 HA HIS 17 19.167 31.067 34.101 469 HB2 HIS 17 HB2 HIS 17 18.742 33.438 33.744 470 HB3 HIS 17 HB3 HIS 17 18.875 33.248 32.003 471 HD2 HIS 17 HD2 HIS 17 16.822 32.411 30.650 472 HE1 HIS 17 HE1 HIS 17 14.027 32.124 33.844 473 HE2 HIS 17 HE2 HIS 17 14.317 32.012 31.314 474 H LEU 18 H LEU 18 20.130 31.264 30.658 475 HA LEU 18 HA LEU 18 18.345 29.184 29.781 476 HB2 LEU 18 HB2 LEU 18 20.933 30.325 28.677 477 HB3 LEU 18 HB3 LEU 18 19.992 29.088 27.844 478 HG LEU 18 HG LEU 18 18.735 31.741 28.652 479 HD11 LEU 18 HD11 LEU 18 19.170 32.583 26.417 480 HD12 LEU 18 HD12 LEU 18 20.705 32.205 27.208 481 HD13 LEU 18 HD13 LEU 18 20.039 31.104 25.975 482 HD21 LEU 18 HD21 LEU 18 18.041 29.680 26.513 483 HD22 LEU 18 HD22 LEU 18 17.160 29.950 28.036 484 HD23 LEU 18 HD23 LEU 18 17.188 31.212 26.797 485 H GLU 19 H GLU 19 21.732 28.997 31.016 486 HA GLU 19 HA GLU 19 21.907 26.103 30.672 487 HB2 GLU 19 HB2 GLU 19 23.482 28.231 32.099 488 HB3 GLU 19 HB3 GLU 19 23.735 26.574 32.589 489 HG2 GLU 19 HG2 GLU 19 23.894 27.429 29.665 490 HG3 GLU 19 HG3 GLU 19 25.267 27.538 30.761 491 H ASN 20 H ASN 20 20.659 28.169 33.310 492 HA ASN 20 HA ASN 20 20.104 25.963 35.095 493 HB2 ASN 20 HB2 ASN 20 18.809 28.715 34.843 494 HB3 ASN 20 HB3 ASN 20 18.483 27.588 36.145 495 HD21 ASN 20 HD21 ASN 20 21.201 30.127 36.975 496 HD22 ASN 20 HD22 ASN 20 19.598 30.326 36.262 497 H GLU 21 H GLU 21 18.186 27.494 32.505 498 HA GLU 21 HA GLU 21 15.811 25.938 32.925 499 HB2 GLU 21 HB2 GLU 21 15.816 28.109 31.796 500 HB3 GLU 21 HB3 GLU 21 16.885 27.488 30.543 501 HG2 GLU 21 HG2 GLU 21 14.709 27.664 29.640 502 HG3 GLU 21 HG3 GLU 21 15.103 25.956 29.759 503 H VAL 22 H VAL 22 18.615 25.443 30.708 504 HA VAL 22 HA VAL 22 17.693 22.962 29.598 505 HB VAL 22 HB VAL 22 20.484 24.060 30.070 506 HG11 VAL 22 HG11 VAL 22 20.756 21.630 30.022 507 HG12 VAL 22 HG12 VAL 22 19.704 21.509 28.589 508 HG13 VAL 22 HG13 VAL 22 21.289 22.307 28.485 509 HG21 VAL 22 HG21 VAL 22 20.448 24.379 27.629 510 HG22 VAL 22 HG22 VAL 22 18.832 23.644 27.529 511 HG23 VAL 22 HG23 VAL 22 19.063 25.195 28.353 512 H ALA 23 H ALA 23 19.525 23.593 32.649 513 HA ALA 23 HA ALA 23 19.704 20.854 33.417 514 HB1 ALA 23 HB1 ALA 23 19.597 23.352 35.159 515 HB2 ALA 23 HB2 ALA 23 20.181 21.752 35.652 516 HB3 ALA 23 HB3 ALA 23 21.050 22.664 34.404 517 H ARG 24 H ARG 24 17.001 23.159 33.839 518 HA ARG 24 HA ARG 24 15.349 21.363 35.428 519 HB2 ARG 24 HB2 ARG 24 14.981 23.829 35.314 520 HB3 ARG 24 HB3 ARG 24 14.541 23.689 33.610 521 HG2 ARG 24 HG2 ARG 24 12.609 22.216 34.244 522 HG3 ARG 24 HG3 ARG 24 13.077 22.389 35.938 523 HD2 ARG 24 HD2 ARG 24 11.298 23.914 35.601 524 HD3 ARG 24 HD3 ARG 24 12.756 24.900 35.670 525 HE ARG 24 HE ARG 24 12.634 25.264 33.279 526 HH11 ARG 24 HH11 ARG 24 9.565 23.798 34.496 527 HH12 ARG 24 HH12 ARG 24 8.779 24.412 33.059 528 HH21 ARG 24 HH21 ARG 24 11.380 25.859 31.567 529 HH22 ARG 24 HH22 ARG 24 9.645 25.467 31.642 530 H LEU 25 H LEU 25 15.375 22.140 31.932 531 HA LEU 25 HA LEU 25 13.291 20.328 31.237 532 HB2 LEU 25 HB2 LEU 25 15.537 21.565 29.606 533 HB3 LEU 25 HB3 LEU 25 14.221 20.640 28.883 534 HG LEU 25 HG LEU 25 13.722 23.111 30.603 535 HD11 LEU 25 HD11 LEU 25 13.448 24.364 28.547 536 HD12 LEU 25 HD12 LEU 25 15.089 23.710 28.625 537 HD13 LEU 25 HD13 LEU 25 13.877 22.946 27.566 538 HD21 LEU 25 HD21 LEU 25 11.974 21.693 28.545 539 HD22 LEU 25 HD22 LEU 25 11.766 21.603 30.309 540 HD23 LEU 25 HD23 LEU 25 11.556 23.144 29.486 541 H LYS 26 H LYS 26 16.818 19.745 31.363 542 HA LYS 26 HA LYS 26 16.892 17.145 30.260 543 HB2 LYS 26 HB2 LYS 26 18.500 18.545 32.409 544 HB3 LYS 26 HB3 LYS 26 18.770 16.833 32.074 545 HG2 LYS 26 HG2 LYS 26 19.286 17.292 29.724 546 HG3 LYS 26 HG3 LYS 26 18.874 18.991 29.924 547 HD2 LYS 26 HD2 LYS 26 21.295 18.756 29.931 548 HD3 LYS 26 HD3 LYS 26 20.728 19.287 31.511 549 HE2 LYS 26 HE2 LYS 26 22.294 17.692 32.100 550 HE3 LYS 26 HE3 LYS 26 20.809 16.758 32.186 551 HZ1 LYS 26 HZ1 LYS 26 22.853 16.735 30.052 552 HZ2 LYS 26 HZ2 LYS 26 22.419 15.503 31.061 553 HZ3 LYS 26 HZ3 LYS 26 21.407 15.981 29.839 554 H LYS 27 H LYS 27 16.154 17.956 33.702 555 HA LYS 27 HA LYS 27 15.776 15.231 34.508 556 HB2 LYS 27 HB2 LYS 27 16.126 17.231 36.015 557 HB3 LYS 27 HB3 LYS 27 14.449 17.707 35.703 558 HG2 LYS 27 HG2 LYS 27 13.692 15.493 36.645 559 HG3 LYS 27 HG3 LYS 27 15.385 15.082 36.954 560 HD2 LYS 27 HD2 LYS 27 15.502 17.181 38.423 561 HD3 LYS 27 HD3 LYS 27 13.765 17.356 38.177 562 HE2 LYS 27 HE2 LYS 27 14.032 16.264 40.279 563 HE3 LYS 27 HE3 LYS 27 13.432 15.053 39.145 564 HZ1 LYS 27 HZ1 LYS 27 15.266 14.192 40.509 565 HZ2 LYS 27 HZ2 LYS 27 15.729 14.231 38.938 566 HZ3 LYS 27 HZ3 LYS 27 16.252 15.381 39.981 567 H LEU 28 H LEU 28 13.471 17.594 33.217 568 HA LEU 28 HA LEU 28 11.096 15.998 33.571 569 HB2 LEU 28 HB2 LEU 28 11.704 18.329 31.700 570 HB3 LEU 28 HB3 LEU 28 10.096 17.680 32.003 571 HG LEU 28 HG LEU 28 11.841 18.907 34.181 572 HD11 LEU 28 HD11 LEU 28 11.262 20.601 32.501 573 HD12 LEU 28 HD12 LEU 28 9.549 20.133 32.592 574 HD13 LEU 28 HD13 LEU 28 10.351 20.866 33.995 575 HD21 LEU 28 HD21 LEU 28 9.710 19.036 35.422 576 HD22 LEU 28 HD22 LEU 28 8.880 18.189 34.096 577 HD23 LEU 28 HD23 LEU 28 10.138 17.358 35.039 578 H VAL 29 H VAL 29 13.291 16.375 30.752 579 HA VAL 29 HA VAL 29 11.675 14.509 29.169 580 HB VAL 29 HB VAL 29 12.949 16.525 28.294 581 HG11 VAL 29 HG11 VAL 29 15.154 16.032 29.333 582 HG12 VAL 29 HG12 VAL 29 15.314 14.599 28.295 583 HG13 VAL 29 HG13 VAL 29 15.252 16.220 27.580 584 HG21 VAL 29 HG21 VAL 29 13.335 15.551 26.141 585 HG22 VAL 29 HG22 VAL 29 13.452 13.922 26.820 586 HG23 VAL 29 HG23 VAL 29 11.899 14.797 26.849 587 H GLY 30 H GLY 30 14.173 14.118 31.477 588 HA2 GLY 30 HA2 GLY 30 14.482 11.983 32.484 589 HA3 GLY 30 HA3 GLY 30 14.241 11.182 30.942 590 H GLU 31 H GLU 31 16.401 13.880 30.743 591 HA GLU 31 HA GLU 31 18.748 12.158 30.317 592 HB2 GLU 31 HB2 GLU 31 18.369 15.174 30.418 593 HB3 GLU 31 HB3 GLU 31 19.932 14.385 30.279 594 HG2 GLU 31 HG2 GLU 31 18.906 13.186 28.193 595 HG3 GLU 31 HG3 GLU 31 17.673 14.447 28.267 596 H ARG 32 H ARG 32 20.706 12.393 31.473 597 HA ARG 32 HA ARG 32 20.461 12.524 34.401 598 HB2 ARG 32 HB2 ARG 32 21.738 10.742 33.210 599 HB3 ARG 32 HB3 ARG 32 22.857 11.977 32.609 600 HG2 ARG 32 HG2 ARG 32 23.442 12.557 34.956 601 HG3 ARG 32 HG3 ARG 32 22.314 11.314 35.533 602 HD2 ARG 32 HD2 ARG 32 23.687 9.630 34.215 603 HD3 ARG 32 HD3 ARG 32 24.883 10.913 33.949 604 HE ARG 32 HE ARG 32 24.687 11.064 36.608 605 HH11 ARG 32 HH11 ARG 32 25.380 8.277 34.675 606 HH12 ARG 32 HH12 ARG 32 25.612 7.231 36.030 607 HH21 ARG 32 HH21 ARG 32 25.110 9.694 38.360 608 HH22 ARG 32 HH22 ARG 32 25.231 7.987 38.091 609 H1 GLY 0 H1 GLY 0 42.156 44.611 26.659 610 H2 GLY 0 H2 GLY 0 43.366 45.690 26.893 611 H3 GLY 0 H3 GLY 0 43.460 44.638 25.640 612 HA2 GLY 0 HA2 GLY 0 41.630 46.901 25.945 613 HA3 GLY 0 HA3 GLY 0 42.819 46.644 24.655 614 H MET 1 H MET 1 41.294 46.736 22.986 615 HA MET 1 HA MET 1 38.651 46.045 23.575 616 HB2 MET 1 HB2 MET 1 39.451 47.973 22.291 617 HB3 MET 1 HB3 MET 1 39.856 46.935 20.932 618 HG2 MET 1 HG2 MET 1 37.075 47.099 22.141 619 HG3 MET 1 HG3 MET 1 37.619 48.236 20.922 620 HE1 MET 1 HE1 MET 1 37.893 46.354 17.674 621 HE2 MET 1 HE2 MET 1 38.169 47.828 18.614 622 HE3 MET 1 HE3 MET 1 39.271 46.459 18.785 623 H ASP 2 H ASP 2 40.660 44.448 20.994 624 HA ASP 2 HA ASP 2 38.595 42.991 19.893 625 HB2 ASP 2 HB2 ASP 2 41.532 42.260 20.099 626 HB3 ASP 2 HB3 ASP 2 40.373 41.232 19.257 627 H ALA 3 H ALA 3 40.413 41.954 22.779 628 HA ALA 3 HA ALA 3 39.376 39.305 22.938 629 HB1 ALA 3 HB1 ALA 3 41.316 40.104 24.222 630 HB2 ALA 3 HB2 ALA 3 40.281 41.230 25.131 631 HB3 ALA 3 HB3 ALA 3 40.072 39.473 25.313 632 H ILE 4 H ILE 4 37.977 42.414 23.999 633 HA ILE 4 HA ILE 4 35.747 41.175 25.442 634 HB ILE 4 HB ILE 4 36.025 44.029 24.462 635 HG12 ILE 4 HG12 ILE 4 36.589 43.199 27.321 636 HG13 ILE 4 HG13 ILE 4 37.881 43.179 26.122 637 HG21 ILE 4 HG21 ILE 4 34.338 44.514 26.246 638 HG22 ILE 4 HG22 ILE 4 33.700 43.371 25.074 639 HG23 ILE 4 HG23 ILE 4 34.272 42.791 26.644 640 HD11 ILE 4 HD11 ILE 4 37.840 45.311 27.341 641 HD12 ILE 4 HD12 ILE 4 37.576 45.528 25.607 642 HD13 ILE 4 HD13 ILE 4 36.212 45.634 26.738 643 H LYS 5 H LYS 5 36.205 42.764 22.240 644 HA LYS 5 HA LYS 5 33.546 42.411 21.259 645 HB2 LYS 5 HB2 LYS 5 35.198 43.867 20.209 646 HB3 LYS 5 HB3 LYS 5 36.208 42.487 19.775 647 HG2 LYS 5 HG2 LYS 5 34.578 41.688 18.194 648 HG3 LYS 5 HG3 LYS 5 33.334 42.787 18.802 649 HD2 LYS 5 HD2 LYS 5 34.255 43.479 16.621 650 HD3 LYS 5 HD3 LYS 5 34.449 44.704 17.858 651 HE2 LYS 5 HE2 LYS 5 36.794 44.259 18.099 652 HE3 LYS 5 HE3 LYS 5 36.684 42.758 17.108 653 HZ1 LYS 5 HZ1 LYS 5 36.392 44.017 15.202 654 HZ2 LYS 5 HZ2 LYS 5 36.002 45.396 15.955 655 HZ3 LYS 5 HZ3 LYS 5 37.591 44.857 15.982 656 H LYS 6 H LYS 6 36.344 40.203 20.981 657 HA LYS 6 HA LYS 6 35.041 38.007 19.723 658 HB2 LYS 6 HB2 LYS 6 37.517 38.340 20.103 659 HB3 LYS 6 HB3 LYS 6 37.276 37.948 21.805 660 HG2 LYS 6 HG2 LYS 6 36.360 35.682 21.042 661 HG3 LYS 6 HG3 LYS 6 36.842 36.135 19.393 662 HD2 LYS 6 HD2 LYS 6 39.209 36.464 20.270 663 HD3 LYS 6 HD3 LYS 6 38.650 35.841 21.837 664 HE2 LYS 6 HE2 LYS 6 37.848 33.756 20.574 665 HE3 LYS 6 HE3 LYS 6 38.700 34.394 19.156 666 HZ1 LYS 6 HZ1 LYS 6 40.758 34.393 20.601 667 HZ2 LYS 6 HZ2 LYS 6 39.913 33.630 21.765 668 HZ3 LYS 6 HZ3 LYS 6 40.129 32.879 20.333 669 H LYS 7 H LYS 7 35.438 38.640 23.251 670 HA LYS 7 HA LYS 7 34.006 36.362 24.159 671 HB2 LYS 7 HB2 LYS 7 35.508 37.909 25.504 672 HB3 LYS 7 HB3 LYS 7 34.174 39.071 25.563 673 HG2 LYS 7 HG2 LYS 7 32.768 37.316 26.690 674 HG3 LYS 7 HG3 LYS 7 34.151 36.211 26.625 675 HD2 LYS 7 HD2 LYS 7 35.455 37.878 28.032 676 HD3 LYS 7 HD3 LYS 7 33.959 38.833 28.177 677 HE2 LYS 7 HE2 LYS 7 32.821 36.747 29.058 678 HE3 LYS 7 HE3 LYS 7 34.394 35.941 29.076 679 HZ1 LYS 7 HZ1 LYS 7 35.120 37.621 30.750 680 HZ2 LYS 7 HZ2 LYS 7 33.654 38.354 30.656 681 HZ3 LYS 7 HZ3 LYS 7 33.783 36.839 31.227 682 H MET 8 H MET 8 32.736 39.641 23.424 683 HA MET 8 HA MET 8 30.025 39.008 24.170 684 HB2 MET 8 HB2 MET 8 31.155 41.170 22.363 685 HB3 MET 8 HB3 MET 8 29.451 41.046 22.830 686 HG2 MET 8 HG2 MET 8 30.179 41.091 25.249 687 HG3 MET 8 HG3 MET 8 31.805 41.485 24.703 688 HE1 MET 8 HE1 MET 8 32.342 43.651 23.220 689 HE2 MET 8 HE2 MET 8 30.969 43.435 22.125 690 HE3 MET 8 HE3 MET 8 31.190 44.985 22.949 691 H GLN 9 H GLN 9 31.629 38.916 20.897 692 HA GLN 9 HA GLN 9 29.221 38.080 19.570 693 HB2 GLN 9 HB2 GLN 9 32.159 37.725 18.845 694 HB3 GLN 9 HB3 GLN 9 30.816 37.160 17.836 695 HG2 GLN 9 HG2 GLN 9 29.871 39.530 17.950 696 HG3 GLN 9 HG3 GLN 9 31.421 40.041 18.615 697 HE21 GLN 9 HE21 GLN 9 31.455 40.625 14.931 698 HE22 GLN 9 HE22 GLN 9 30.485 41.182 16.302 699 H MET 10 H MET 10 31.815 36.094 21.109 700 HA MET 10 HA MET 10 30.616 33.553 20.530 701 HB2 MET 10 HB2 MET 10 32.370 34.503 22.833 702 HB3 MET 10 HB3 MET 10 31.803 32.840 22.643 703 HG2 MET 10 HG2 MET 10 32.867 32.675 20.450 704 HG3 MET 10 HG3 MET 10 33.477 34.321 20.602 705 HE1 MET 10 HE1 MET 10 33.447 30.756 22.314 706 HE2 MET 10 HE2 MET 10 34.894 30.814 23.346 707 HE3 MET 10 HE3 MET 10 33.462 31.766 23.773 708 H LEU 11 H LEU 11 30.109 35.725 23.355 709 HA LEU 11 HA LEU 11 28.242 34.096 24.716 710 HB2 LEU 11 HB2 LEU 11 29.458 35.935 25.710 711 HB3 LEU 11 HB3 LEU 11 28.708 37.096 24.625 712 HG LEU 11 HG LEU 11 26.543 36.828 25.720 713 HD11 LEU 11 HD11 LEU 11 26.639 34.487 26.453 714 HD12 LEU 11 HD12 LEU 11 27.988 34.864 27.549 715 HD13 LEU 11 HD13 LEU 11 26.377 35.552 27.839 716 HD21 LEU 11 HD21 LEU 11 28.885 37.249 27.634 717 HD22 LEU 11 HD22 LEU 11 28.123 38.484 26.604 718 HD23 LEU 11 HD23 LEU 11 27.220 37.757 27.947 719 H LYS 12 H LYS 12 27.609 36.637 22.244 720 HA LYS 12 HA LYS 12 24.728 36.331 22.296 721 HB2 LYS 12 HB2 LYS 12 26.630 37.469 20.205 722 HB3 LYS 12 HB3 LYS 12 24.865 37.520 20.058 723 HG2 LYS 12 HG2 LYS 12 24.670 38.843 22.118 724 HG3 LYS 12 HG3 LYS 12 26.394 38.705 22.415 725 HD2 LYS 12 HD2 LYS 12 26.182 40.845 21.555 726 HD3 LYS 12 HD3 LYS 12 26.760 39.915 20.172 727 HE2 LYS 12 HE2 LYS 12 24.421 39.801 19.290 728 HE3 LYS 12 HE3 LYS 12 23.849 40.676 20.723 729 HZ1 LYS 12 HZ1 LYS 12 25.390 42.508 20.017 730 HZ2 LYS 12 HZ2 LYS 12 25.679 41.725 18.636 731 HZ3 LYS 12 HZ3 LYS 12 24.154 42.297 19.002 732 H LEU 13 H LEU 13 27.235 34.726 20.299 733 HA LEU 13 HA LEU 13 25.349 33.188 18.735 734 HB2 LEU 13 HB2 LEU 13 28.292 32.829 19.402 735 HB3 LEU 13 HB3 LEU 13 27.424 31.726 18.343 736 HG LEU 13 HG LEU 13 27.585 34.722 17.787 737 HD11 LEU 13 HD11 LEU 13 29.856 33.763 17.823 738 HD12 LEU 13 HD12 LEU 13 29.341 32.477 16.709 739 HD13 LEU 13 HD13 LEU 13 29.363 34.175 16.177 740 HD21 LEU 13 HD21 LEU 13 25.762 33.557 16.599 741 HD22 LEU 13 HD22 LEU 13 27.042 34.023 15.480 742 HD23 LEU 13 HD23 LEU 13 26.910 32.333 16.013 743 H ASP 14 H ASP 14 27.096 32.404 21.794 744 HA ASP 14 HA ASP 14 25.925 29.799 22.079 745 HB2 ASP 14 HB2 ASP 14 27.152 31.768 24.031 746 HB3 ASP 14 HB3 ASP 14 26.357 30.308 24.602 747 H ASN 15 H ASN 15 24.698 33.017 23.229 748 HA ASN 15 HA ASN 15 22.350 31.886 24.440 749 HB2 ASN 15 HB2 ASN 15 22.975 34.675 23.409 750 HB3 ASN 15 HB3 ASN 15 21.429 34.242 24.135 751 HD21 ASN 15 HD21 ASN 15 23.040 35.455 27.073 752 HD22 ASN 15 HD22 ASN 15 21.933 35.903 25.776 753 H TYR 16 H TYR 16 22.903 33.016 21.061 754 HA TYR 16 HA TYR 16 20.260 32.471 20.105 755 HB2 TYR 16 HB2 TYR 16 21.787 33.802 18.813 756 HB3 TYR 16 HB3 TYR 16 22.972 32.513 18.753 757 HD1 TYR 16 HD1 TYR 16 19.398 33.196 17.706 758 HD2 TYR 16 HD2 TYR 16 23.137 31.243 16.803 759 HE1 TYR 16 HE1 TYR 16 18.504 32.495 15.488 760 HE2 TYR 16 HE2 TYR 16 22.235 30.549 14.583 761 HH TYR 16 HH TYR 16 20.521 31.038 13.003 762 H HIS 17 H HIS 17 23.110 30.266 20.374 763 HA HIS 17 HA HIS 17 21.710 27.945 19.344 764 HB2 HIS 17 HB2 HIS 17 24.127 27.923 19.485 765 HB3 HIS 17 HB3 HIS 17 24.087 28.218 21.226 766 HD2 HIS 17 HD2 HIS 17 23.975 26.130 22.790 767 HE1 HIS 17 HE1 HIS 17 22.728 23.184 19.986 768 HE2 HIS 17 HE2 HIS 17 23.411 23.567 22.386 769 H LEU 18 H LEU 18 22.177 29.145 22.687 770 HA LEU 18 HA LEU 18 20.918 26.948 23.961 771 HB2 LEU 18 HB2 LEU 18 21.585 29.785 24.771 772 HB3 LEU 18 HB3 LEU 18 20.693 28.740 25.857 773 HG LEU 18 HG LEU 18 23.389 27.902 24.734 774 HD11 LEU 18 HD11 LEU 18 22.789 29.345 27.354 775 HD12 LEU 18 HD12 LEU 18 24.357 28.671 26.875 776 HD13 LEU 18 HD13 LEU 18 23.662 30.027 25.968 777 HD21 LEU 18 HD21 LEU 18 21.763 27.036 27.169 778 HD22 LEU 18 HD22 LEU 18 22.030 26.081 25.696 779 HD23 LEU 18 HD23 LEU 18 23.389 26.463 26.766 780 H GLU 19 H GLU 19 19.405 30.167 23.098 781 HA GLU 19 HA GLU 19 16.880 29.360 24.246 782 HB2 GLU 19 HB2 GLU 19 17.336 31.682 23.906 783 HB3 GLU 19 HB3 GLU 19 17.463 31.480 22.145 784 HG2 GLU 19 HG2 GLU 19 15.156 31.070 21.876 785 HG3 GLU 19 HG3 GLU 19 14.947 30.563 23.554 786 H ASN 20 H ASN 20 18.246 28.861 20.988 787 HA ASN 20 HA ASN 20 15.850 27.648 19.893 788 HB2 ASN 20 HB2 ASN 20 18.791 27.685 19.143 789 HB3 ASN 20 HB3 ASN 20 17.678 26.578 18.351 790 HD21 ASN 20 HD21 ASN 20 17.658 30.354 17.104 791 HD22 ASN 20 HD22 ASN 20 18.809 29.819 18.322 792 H GLU 21 H GLU 21 18.636 26.262 21.710 793 HA GLU 21 HA GLU 21 17.699 23.529 21.457 794 HB2 GLU 21 HB2 GLU 21 20.054 24.207 21.970 795 HB3 GLU 21 HB3 GLU 21 19.511 24.799 23.535 796 HG2 GLU 21 HG2 GLU 21 20.429 22.723 24.011 797 HG3 GLU 21 HG3 GLU 21 18.703 22.404 24.022 798 H VAL 22 H VAL 22 17.272 26.025 24.008 799 HA VAL 22 HA VAL 22 15.606 24.512 25.767 800 HB VAL 22 HB VAL 22 15.937 27.474 25.229 801 HG11 VAL 22 HG11 VAL 22 13.615 27.311 25.971 802 HG12 VAL 22 HG12 VAL 22 14.095 26.257 27.322 803 HG13 VAL 22 HG13 VAL 22 14.621 27.954 27.262 804 HG21 VAL 22 HG21 VAL 22 16.957 27.431 27.472 805 HG22 VAL 22 HG22 VAL 22 16.564 25.709 27.642 806 HG23 VAL 22 HG23 VAL 22 17.743 26.243 26.429 807 H ALA 23 H ALA 23 14.631 26.636 22.995 808 HA ALA 23 HA ALA 23 11.847 26.152 23.253 809 HB1 ALA 23 HB1 ALA 23 13.515 26.753 20.767 810 HB2 ALA 23 HB2 ALA 23 11.753 26.932 20.899 811 HB3 ALA 23 HB3 ALA 23 12.826 27.952 21.881 812 H ARG 24 H ARG 24 14.298 24.354 21.348 813 HA ARG 24 HA ARG 24 12.526 22.434 20.190 814 HB2 ARG 24 HB2 ARG 24 14.859 23.028 19.480 815 HB3 ARG 24 HB3 ARG 24 15.484 22.158 20.889 816 HG2 ARG 24 HG2 ARG 24 14.426 20.059 19.986 817 HG3 ARG 24 HG3 ARG 24 13.844 20.994 18.594 818 HD2 ARG 24 HD2 ARG 24 15.839 19.935 17.851 819 HD3 ARG 24 HD3 ARG 24 16.259 21.615 18.112 820 HE ARG 24 HE ARG 24 17.588 21.012 20.021 821 HH11 ARG 24 HH11 ARG 24 15.975 18.089 18.835 822 HH12 ARG 24 HH12 ARG 24 17.260 17.095 19.508 823 HH21 ARG 24 HH21 ARG 24 18.936 19.731 20.927 824 HH22 ARG 24 HH22 ARG 24 18.909 17.970 20.646 825 H LEU 25 H LEU 25 14.397 22.310 23.228 826 HA LEU 25 HA LEU 25 13.487 19.691 24.035 827 HB2 LEU 25 HB2 LEU 25 14.706 22.043 25.522 828 HB3 LEU 25 HB3 LEU 25 14.305 20.527 26.322 829 HG LEU 25 HG LEU 25 16.254 20.723 23.982 830 HD11 LEU 25 HD11 LEU 25 16.780 20.530 26.983 831 HD12 LEU 25 HD12 LEU 25 18.006 20.482 25.694 832 HD13 LEU 25 HD13 LEU 25 17.071 21.957 25.960 833 HD21 LEU 25 HD21 LEU 25 15.659 18.484 25.964 834 HD22 LEU 25 HD22 LEU 25 15.311 18.474 24.216 835 HD23 LEU 25 HD23 LEU 25 16.984 18.494 24.779 836 H LYS 26 H LYS 26 12.264 22.995 24.856 837 HA LYS 26 HA LYS 26 10.166 22.161 26.599 838 HB2 LYS 26 HB2 LYS 26 10.439 24.556 24.733 839 HB3 LYS 26 HB3 LYS 26 8.959 24.239 25.635 840 HG2 LYS 26 HG2 LYS 26 10.360 24.181 27.752 841 HG3 LYS 26 HG3 LYS 26 11.695 24.851 26.814 842 HD2 LYS 26 HD2 LYS 26 10.382 26.851 26.281 843 HD3 LYS 26 HD3 LYS 26 8.921 26.107 26.952 844 HE2 LYS 26 HE2 LYS 26 10.240 25.959 29.181 845 HE3 LYS 26 HE3 LYS 26 11.360 27.113 28.473 846 HZ1 LYS 26 HZ1 LYS 26 9.496 28.143 29.781 847 HZ2 LYS 26 HZ2 LYS 26 9.489 28.673 28.236 848 HZ3 LYS 26 HZ3 LYS 26 8.419 27.532 28.699 849 H LYS 27 H LYS 27 10.046 22.663 23.068 850 HA LYS 27 HA LYS 27 7.399 21.691 22.641 851 HB2 LYS 27 HB2 LYS 27 9.886 21.893 20.890 852 HB3 LYS 27 HB3 LYS 27 8.376 21.231 20.277 853 HG2 LYS 27 HG2 LYS 27 7.176 23.297 20.933 854 HG3 LYS 27 HG3 LYS 27 8.703 24.022 21.460 855 HD2 LYS 27 HD2 LYS 27 9.616 23.813 19.170 856 HD3 LYS 27 HD3 LYS 27 8.126 23.037 18.624 857 HE2 LYS 27 HE2 LYS 27 8.404 25.898 19.655 858 HE3 LYS 27 HE3 LYS 27 8.188 25.397 17.965 859 HZ1 LYS 27 HZ1 LYS 27 6.025 24.404 18.692 860 HZ2 LYS 27 HZ2 LYS 27 6.243 25.133 20.182 861 HZ3 LYS 27 HZ3 LYS 27 6.040 26.031 18.867 862 H LEU 28 H LEU 28 10.459 19.814 22.630 863 HA LEU 28 HA LEU 28 9.271 17.304 22.005 864 HB2 LEU 28 HB2 LEU 28 11.641 17.658 21.827 865 HB3 LEU 28 HB3 LEU 28 11.770 18.107 23.524 866 HG LEU 28 HG LEU 28 11.272 15.793 24.221 867 HD11 LEU 28 HD11 LEU 28 11.375 15.128 21.246 868 HD12 LEU 28 HD12 LEU 28 11.292 13.961 22.578 869 HD13 LEU 28 HD13 LEU 28 9.923 15.031 22.266 870 HD21 LEU 28 HD21 LEU 28 13.510 16.019 22.170 871 HD22 LEU 28 HD22 LEU 28 13.595 16.542 23.867 872 HD23 LEU 28 HD23 LEU 28 13.401 14.822 23.479 873 H VAL 29 H VAL 29 9.902 18.732 25.268 874 HA VAL 29 HA VAL 29 8.665 16.410 26.550 875 HB VAL 29 HB VAL 29 10.688 17.735 27.357 876 HG11 VAL 29 HG11 VAL 29 8.573 19.511 28.644 877 HG12 VAL 29 HG12 VAL 29 10.329 19.573 28.885 878 HG13 VAL 29 HG13 VAL 29 9.643 20.003 27.312 879 HG21 VAL 29 HG21 VAL 29 8.535 17.143 29.417 880 HG22 VAL 29 HG22 VAL 29 9.585 15.934 28.649 881 HG23 VAL 29 HG23 VAL 29 10.291 17.205 29.658 882 H GLY 30 H GLY 30 7.322 19.215 25.231 883 HA2 GLY 30 HA2 GLY 30 5.073 19.767 25.093 884 HA3 GLY 30 HA3 GLY 30 4.687 18.657 26.407 885 H GLU 31 H GLU 31 7.247 20.905 27.034 886 HA GLU 31 HA GLU 31 5.708 22.371 29.069 887 HB2 GLU 31 HB2 GLU 31 7.981 21.820 29.602 888 HB3 GLU 31 HB3 GLU 31 8.560 22.461 28.076 889 HG2 GLU 31 HG2 GLU 31 9.235 23.924 29.812 890 HG3 GLU 31 HG3 GLU 31 8.069 24.765 28.812 891 H ARG 32 H ARG 32 5.393 24.684 29.030 892 HA ARG 32 HA ARG 32 4.676 25.674 26.311 893 HB2 ARG 32 HB2 ARG 32 2.901 25.644 27.929 894 HB3 ARG 32 HB3 ARG 32 3.881 26.503 29.112 895 HG2 ARG 32 HG2 ARG 32 3.876 28.526 27.692 896 HG3 ARG 32 HG3 ARG 32 2.919 27.667 26.464 897 HD2 ARG 32 HD2 ARG 32 1.068 27.405 28.053 898 HD3 ARG 32 HD3 ARG 32 2.054 28.080 29.356 899 HE ARG 32 HE ARG 32 1.843 30.247 28.473 900 HH11 ARG 32 HH11 ARG 32 0.172 28.053 26.254 901 HH12 ARG 32 HH12 ARG 32 -0.720 29.395 25.571 902 HH21 ARG 32 HH21 ARG 32 0.722 31.764 27.568 903 HH22 ARG 32 HH22 ARG 32 -0.558 31.420 26.412 Start of MODEL 10 1 H1 SER 2 H1 SER 2 35.187 37.824 33.207 2 H2 SER 2 H2 SER 2 35.428 36.257 32.729 3 H3 SER 2 H3 SER 2 36.600 37.062 33.566 4 HA SER 2 HA SER 2 35.488 35.475 34.944 5 HB2 SER 2 HB2 SER 2 35.113 38.395 35.662 6 HB3 SER 2 HB3 SER 2 34.958 37.031 36.809 7 HG SER 2 HG SER 2 37.128 38.030 36.589 8 H THR 3 H THR 3 33.779 34.254 34.546 9 HA THR 3 HA THR 3 31.035 35.428 34.654 10 HB THR 3 HB THR 3 31.884 33.519 32.441 11 HG1 THR 3 HG1 THR 3 32.975 35.271 31.958 12 HG21 THR 3 HG21 THR 3 29.851 34.487 31.321 13 HG22 THR 3 HG22 THR 3 29.459 33.570 32.773 14 HG23 THR 3 HG23 THR 3 29.462 35.344 32.829 15 H PHE 4 H PHE 4 31.955 34.224 36.823 16 HA PHE 4 HA PHE 4 31.699 31.321 36.789 17 HB2 PHE 4 HB2 PHE 4 33.231 32.472 38.311 18 HB3 PHE 4 HB3 PHE 4 31.896 33.320 39.064 19 HD1 PHE 4 HD1 PHE 4 33.628 30.068 38.732 20 HD2 PHE 4 HD2 PHE 4 30.389 32.176 40.647 21 HE1 PHE 4 HE1 PHE 4 33.376 28.215 40.368 22 HE2 PHE 4 HE2 PHE 4 30.163 30.339 42.288 23 HZ PHE 4 HZ PHE 4 31.642 28.344 42.140 24 H GLY 5 H GLY 5 29.924 30.174 36.900 25 HA2 GLY 5 HA2 GLY 5 27.527 30.840 38.393 26 HA3 GLY 5 HA3 GLY 5 27.324 31.021 36.642 27 H TYR 6 H TYR 6 25.838 29.256 36.539 28 HA TYR 6 HA TYR 6 26.246 26.731 37.728 29 HB2 TYR 6 HB2 TYR 6 24.146 27.898 36.721 30 HB3 TYR 6 HB3 TYR 6 24.615 27.158 35.204 31 HD1 TYR 6 HD1 TYR 6 24.283 24.708 34.898 32 HD2 TYR 6 HD2 TYR 6 23.453 26.605 38.658 33 HE1 TYR 6 HE1 TYR 6 22.912 22.767 35.583 34 HE2 TYR 6 HE2 TYR 6 22.101 24.663 39.339 35 HH TYR 6 HH TYR 6 20.922 22.864 38.500 36 H ARG 7 H ARG 7 27.653 27.853 34.716 37 HA ARG 7 HA ARG 7 28.261 25.185 33.669 38 HB2 ARG 7 HB2 ARG 7 27.843 27.188 32.235 39 HB3 ARG 7 HB3 ARG 7 29.360 27.895 32.819 40 HG2 ARG 7 HG2 ARG 7 30.628 25.999 31.869 41 HG3 ARG 7 HG3 ARG 7 29.133 25.211 31.362 42 HD2 ARG 7 HD2 ARG 7 30.081 27.932 30.380 43 HD3 ARG 7 HD3 ARG 7 30.337 26.408 29.517 44 HE ARG 7 HE ARG 7 27.586 26.456 29.892 45 HH11 ARG 7 HH11 ARG 7 29.711 28.858 28.336 46 HH12 ARG 7 HH12 ARG 7 28.320 29.370 27.354 47 HH21 ARG 7 HH21 ARG 7 26.079 27.317 28.745 48 HH22 ARG 7 HH22 ARG 7 26.458 28.618 27.554 49 H ARG 8 H ARG 8 29.808 23.932 34.441 50 HA ARG 8 HA ARG 8 31.872 24.995 36.283 51 HB2 ARG 8 HB2 ARG 8 31.085 22.119 35.649 52 HB3 ARG 8 HB3 ARG 8 32.217 22.636 36.904 53 HG2 ARG 8 HG2 ARG 8 30.362 23.950 37.989 54 HG3 ARG 8 HG3 ARG 8 29.243 23.286 36.788 55 HD2 ARG 8 HD2 ARG 8 29.853 20.973 37.573 56 HD3 ARG 8 HD3 ARG 8 30.836 21.716 38.845 57 HE ARG 8 HE ARG 8 27.903 22.295 38.541 58 HH11 ARG 8 HH11 ARG 8 30.461 21.093 40.695 59 HH12 ARG 8 HH12 ARG 8 29.303 20.832 41.954 60 HH21 ARG 8 HH21 ARG 8 26.646 22.295 40.387 61 HH22 ARG 8 HH22 ARG 8 27.388 21.912 41.923 62 H GLY 9 H GLY 9 34.088 24.117 36.231 63 HA2 GLY 9 HA2 GLY 9 36.075 23.529 35.219 64 HA3 GLY 9 HA3 GLY 9 35.157 22.888 33.853 65 H LEU 10 H LEU 10 35.113 26.289 34.944 66 HA LEU 10 HA LEU 10 35.648 27.262 32.279 67 HB2 LEU 10 HB2 LEU 10 35.676 28.781 34.911 68 HB3 LEU 10 HB3 LEU 10 35.562 29.479 33.297 69 HG LEU 10 HG LEU 10 33.454 27.716 34.623 70 HD11 LEU 10 HD11 LEU 10 33.647 29.976 35.600 71 HD12 LEU 10 HD12 LEU 10 33.449 30.691 33.982 72 HD13 LEU 10 HD13 LEU 10 32.125 29.765 34.714 73 HD21 LEU 10 HD21 LEU 10 32.008 28.397 32.721 74 HD22 LEU 10 HD22 LEU 10 33.405 29.171 31.938 75 HD23 LEU 10 HD23 LEU 10 33.368 27.407 32.187 76 H SER 11 H SER 11 37.427 28.080 31.359 77 HA SER 11 HA SER 11 40.016 27.235 32.111 78 HB2 SER 11 HB2 SER 11 39.363 27.684 29.832 79 HB3 SER 11 HB3 SER 11 38.994 29.368 30.210 80 HG SER 11 HG SER 11 40.908 29.173 29.150 81 H LYS 12 H LYS 12 41.929 28.388 32.697 82 HA LYS 12 HA LYS 12 41.784 30.495 34.677 83 HB2 LYS 12 HB2 LYS 12 44.107 29.503 32.955 84 HB3 LYS 12 HB3 LYS 12 44.253 30.640 34.297 85 HG2 LYS 12 HG2 LYS 12 43.304 28.918 35.841 86 HG3 LYS 12 HG3 LYS 12 43.323 27.745 34.507 87 HD2 LYS 12 HD2 LYS 12 45.787 28.043 34.300 88 HD3 LYS 12 HD3 LYS 12 45.742 29.243 35.609 89 HE2 LYS 12 HE2 LYS 12 44.735 27.445 37.097 90 HE3 LYS 12 HE3 LYS 12 45.060 26.274 35.810 91 HZ1 LYS 12 HZ1 LYS 12 46.859 26.356 37.455 92 HZ2 LYS 12 HZ2 LYS 12 47.439 26.876 36.006 93 HZ3 LYS 12 HZ3 LYS 12 47.095 27.957 37.178 94 H TYR 13 H TYR 13 41.596 30.679 31.236 95 HA TYR 13 HA TYR 13 42.298 33.543 31.106 96 HB2 TYR 13 HB2 TYR 13 42.729 31.857 29.280 97 HB3 TYR 13 HB3 TYR 13 40.989 31.728 29.060 98 HD1 TYR 13 HD1 TYR 13 40.000 33.064 27.390 99 HD2 TYR 13 HD2 TYR 13 43.738 34.307 29.156 100 HE1 TYR 13 HE1 TYR 13 40.144 34.953 25.774 101 HE2 TYR 13 HE2 TYR 13 43.874 36.191 27.531 102 HH TYR 13 HH TYR 13 42.983 37.090 25.590 103 H GLU 14 H GLU 14 39.464 31.673 31.908 104 HA GLU 14 HA GLU 14 37.649 33.960 31.473 105 HB2 GLU 14 HB2 GLU 14 36.878 31.602 31.067 106 HB3 GLU 14 HB3 GLU 14 37.066 31.276 32.788 107 HG2 GLU 14 HG2 GLU 14 34.711 31.802 32.090 108 HG3 GLU 14 HG3 GLU 14 35.326 32.846 33.370 109 H SER 15 H SER 15 39.486 32.446 34.098 110 HA SER 15 HA SER 15 38.479 34.088 36.235 111 HB2 SER 15 HB2 SER 15 41.176 32.719 35.920 112 HB3 SER 15 HB3 SER 15 40.515 33.358 37.429 113 HG SER 15 HG SER 15 39.128 31.743 37.561 114 H ILE 16 H ILE 16 38.861 35.784 34.032 115 HA ILE 16 HA ILE 16 40.779 37.792 35.067 116 HB ILE 16 HB ILE 16 40.555 37.042 32.121 117 HG12 ILE 16 HG12 ILE 16 42.932 36.718 34.010 118 HG13 ILE 16 HG13 ILE 16 41.934 35.410 33.376 119 HG21 ILE 16 HG21 ILE 16 42.240 38.803 31.741 120 HG22 ILE 16 HG22 ILE 16 40.823 39.496 32.501 121 HG23 ILE 16 HG23 ILE 16 42.272 39.173 33.478 122 HD11 ILE 16 HD11 ILE 16 42.621 36.048 31.046 123 HD12 ILE 16 HD12 ILE 16 43.801 37.173 31.764 124 HD13 ILE 16 HD13 ILE 16 43.925 35.440 32.084 125 H ASP 17 H ASP 17 39.666 39.589 35.435 126 HA ASP 17 HA ASP 17 36.879 39.839 34.799 127 HB2 ASP 17 HB2 ASP 17 38.791 41.866 36.012 128 HB3 ASP 17 HB3 ASP 17 37.032 41.945 36.040 129 H GLU 18 H GLU 18 36.152 40.344 32.777 130 HA GLU 18 HA GLU 18 37.834 41.992 31.030 131 HB2 GLU 18 HB2 GLU 18 36.419 41.352 29.261 132 HB3 GLU 18 HB3 GLU 18 36.814 39.920 30.191 133 HG2 GLU 18 HG2 GLU 18 34.194 41.388 30.691 134 HG3 GLU 18 HG3 GLU 18 34.387 40.347 29.288 135 H ASP 19 H ASP 19 35.387 42.808 33.248 136 HA ASP 19 HA ASP 19 34.455 45.184 31.756 137 HB2 ASP 19 HB2 ASP 19 33.295 45.725 33.899 138 HB3 ASP 19 HB3 ASP 19 32.780 44.241 33.122 139 H GLU 20 H GLU 20 36.570 44.430 34.564 140 HA GLU 20 HA GLU 20 37.524 47.193 34.705 141 HB2 GLU 20 HB2 GLU 20 38.704 44.679 35.924 142 HB3 GLU 20 HB3 GLU 20 39.124 46.336 36.356 143 HG2 GLU 20 HG2 GLU 20 36.369 45.084 36.760 144 HG3 GLU 20 HG3 GLU 20 37.621 45.199 37.977 145 H LEU 21 H LEU 21 38.520 44.451 32.783 146 HA LEU 21 HA LEU 21 41.067 45.456 31.961 147 HB2 LEU 21 HB2 LEU 21 40.221 43.164 31.573 148 HB3 LEU 21 HB3 LEU 21 38.995 43.804 30.473 149 HG LEU 21 HG LEU 21 40.750 44.490 28.879 150 HD11 LEU 21 HD11 LEU 21 42.644 44.916 30.408 151 HD12 LEU 21 HD12 LEU 21 42.677 43.203 30.870 152 HD13 LEU 21 HD13 LEU 21 43.090 43.695 29.213 153 HD21 LEU 21 HD21 LEU 21 41.007 41.605 29.806 154 HD22 LEU 21 HD22 LEU 21 39.743 42.251 28.733 155 HD23 LEU 21 HD23 LEU 21 41.435 42.238 28.200 156 H LEU 22 H LEU 22 37.862 46.663 31.237 157 HA LEU 22 HA LEU 22 38.308 47.853 28.692 158 HB2 LEU 22 HB2 LEU 22 36.523 48.735 30.989 159 HB3 LEU 22 HB3 LEU 22 36.409 49.351 29.349 160 HG LEU 22 HG LEU 22 35.932 46.454 30.146 161 HD11 LEU 22 HD11 LEU 22 33.581 46.937 29.748 162 HD12 LEU 22 HD12 LEU 22 34.219 48.028 30.986 163 HD13 LEU 22 HD13 LEU 22 33.962 48.629 29.332 164 HD21 LEU 22 HD21 LEU 22 36.694 46.599 27.817 165 HD22 LEU 22 HD22 LEU 22 34.976 46.219 27.880 166 HD23 LEU 22 HD23 LEU 22 35.498 47.874 27.484 167 H ALA 23 H ALA 23 39.567 48.888 31.792 168 HA ALA 23 HA ALA 23 40.207 51.601 31.126 169 HB1 ALA 23 HB1 ALA 23 41.805 51.383 32.983 170 HB2 ALA 23 HB2 ALA 23 40.248 50.654 33.412 171 HB3 ALA 23 HB3 ALA 23 41.619 49.614 32.962 172 H SER 24 H SER 24 41.435 48.704 29.735 173 HA SER 24 HA SER 24 43.983 49.902 28.831 174 HB2 SER 24 HB2 SER 24 44.428 47.783 27.798 175 HB3 SER 24 HB3 SER 24 43.893 47.516 29.462 176 HG SER 24 HG SER 24 41.856 46.922 28.685 177 H LEU 25 H LEU 25 40.879 50.493 27.822 178 HA LEU 25 HA LEU 25 41.642 50.683 24.934 179 HB2 LEU 25 HB2 LEU 25 38.962 49.967 26.171 180 HB3 LEU 25 HB3 LEU 25 39.239 50.237 24.458 181 HG LEU 25 HG LEU 25 40.491 47.997 26.114 182 HD11 LEU 25 HD11 LEU 25 39.016 46.545 24.800 183 HD12 LEU 25 HD12 LEU 25 38.078 47.725 25.730 184 HD13 LEU 25 HD13 LEU 25 38.317 47.965 23.984 185 HD21 LEU 25 HD21 LEU 25 40.632 48.585 23.120 186 HD22 LEU 25 HD22 LEU 25 41.987 48.594 24.255 187 HD23 LEU 25 HD23 LEU 25 41.175 47.077 23.895 188 H SER 26 H SER 26 41.124 52.448 23.794 189 HA SER 26 HA SER 26 40.580 54.926 25.221 190 HB2 SER 26 HB2 SER 26 40.867 55.983 23.059 191 HB3 SER 26 HB3 SER 26 42.142 54.794 23.326 192 HG SER 26 HG SER 26 41.032 53.341 21.994 193 H ALA 27 H ALA 27 38.968 56.530 24.444 194 HA ALA 27 HA ALA 27 36.327 55.671 24.761 195 HB1 ALA 27 HB1 ALA 27 37.165 57.965 25.151 196 HB2 ALA 27 HB2 ALA 27 37.381 58.192 23.400 197 HB3 ALA 27 HB3 ALA 27 35.754 57.973 24.078 198 H GLU 28 H GLU 28 38.133 55.877 21.720 199 HA GLU 28 HA GLU 28 35.837 55.487 19.953 200 HB2 GLU 28 HB2 GLU 28 38.856 55.162 19.616 201 HB3 GLU 28 HB3 GLU 28 37.701 54.903 18.312 202 HG2 GLU 28 HG2 GLU 28 38.110 57.517 19.837 203 HG3 GLU 28 HG3 GLU 28 38.696 57.157 18.214 204 H GLU 29 H GLU 29 38.330 53.292 21.356 205 HA GLU 29 HA GLU 29 37.282 50.896 20.092 206 HB2 GLU 29 HB2 GLU 29 39.050 51.444 22.490 207 HB3 GLU 29 HB3 GLU 29 38.630 49.805 22.005 208 HG2 GLU 29 HG2 GLU 29 39.830 49.912 19.993 209 HG3 GLU 29 HG3 GLU 29 39.797 51.673 19.930 210 H LEU 30 H LEU 30 36.622 52.527 23.189 211 HA LEU 30 HA LEU 30 34.770 50.545 24.169 212 HB2 LEU 30 HB2 LEU 30 35.093 53.509 24.762 213 HB3 LEU 30 HB3 LEU 30 34.019 52.443 25.663 214 HG LEU 30 HG LEU 30 37.037 51.998 25.462 215 HD11 LEU 30 HD11 LEU 30 35.414 53.249 27.715 216 HD12 LEU 30 HD12 LEU 30 37.164 52.896 27.715 217 HD13 LEU 30 HD13 LEU 30 36.520 54.115 26.615 218 HD21 LEU 30 HD21 LEU 30 35.814 49.949 26.006 219 HD22 LEU 30 HD22 LEU 30 36.711 50.545 27.398 220 HD23 LEU 30 HD23 LEU 30 34.947 50.789 27.315 221 H LYS 31 H LYS 31 34.245 53.404 22.021 222 HA LYS 31 HA LYS 31 31.368 53.059 22.021 223 HB2 LYS 31 HB2 LYS 31 31.273 54.865 20.759 224 HB3 LYS 31 HB3 LYS 31 32.972 55.067 21.129 225 HG2 LYS 31 HG2 LYS 31 33.517 53.940 18.926 226 HG3 LYS 31 HG3 LYS 31 31.787 53.844 18.591 227 HD2 LYS 31 HD2 LYS 31 31.660 56.346 18.861 228 HD3 LYS 31 HD3 LYS 31 33.426 56.385 18.973 229 HE2 LYS 31 HE2 LYS 31 31.788 55.353 16.606 230 HE3 LYS 31 HE3 LYS 31 32.570 56.932 16.704 231 HZ1 LYS 31 HZ1 LYS 31 34.718 55.794 16.874 232 HZ2 LYS 31 HZ2 LYS 31 33.958 54.315 16.717 233 HZ3 LYS 31 HZ3 LYS 31 33.939 55.367 15.485 234 H GLU 32 H GLU 32 33.938 51.572 20.098 235 HA GLU 32 HA GLU 32 32.119 50.180 18.349 236 HB2 GLU 32 HB2 GLU 32 34.541 50.642 17.871 237 HB3 GLU 32 HB3 GLU 32 34.985 49.456 19.095 238 HG2 GLU 32 HG2 GLU 32 35.078 48.560 16.772 239 HG3 GLU 32 HG3 GLU 32 33.989 47.657 17.823 240 H LEU 33 H LEU 33 33.536 49.293 21.516 241 HA LEU 33 HA LEU 33 32.289 46.660 21.555 242 HB2 LEU 33 HB2 LEU 33 33.320 48.460 23.788 243 HB3 LEU 33 HB3 LEU 33 32.697 46.829 24.043 244 HG LEU 33 HG LEU 33 35.132 47.547 22.366 245 HD11 LEU 33 HD11 LEU 33 34.838 46.185 25.074 246 HD12 LEU 33 HD12 LEU 33 36.354 46.351 24.163 247 HD13 LEU 33 HD13 LEU 33 35.522 47.796 24.761 248 HD21 LEU 33 HD21 LEU 33 35.540 45.090 22.333 249 HD22 LEU 33 HD22 LEU 33 33.929 44.830 23.051 250 HD23 LEU 33 HD23 LEU 33 34.108 45.544 21.429 251 H GLU 34 H GLU 34 31.145 49.892 22.684 252 HA GLU 34 HA GLU 34 28.686 48.810 23.706 253 HB2 GLU 34 HB2 GLU 34 29.580 51.184 24.070 254 HB3 GLU 34 HB3 GLU 34 28.922 51.572 22.467 255 HG2 GLU 34 HG2 GLU 34 26.694 50.697 23.223 256 HG3 GLU 34 HG3 GLU 34 27.380 50.350 24.810 257 H ARG 35 H ARG 35 29.602 49.885 20.432 258 HA ARG 35 HA ARG 35 27.115 49.372 19.139 259 HB2 ARG 35 HB2 ARG 35 29.212 50.669 18.362 260 HB3 ARG 35 HB3 ARG 35 29.843 49.102 17.838 261 HG2 ARG 35 HG2 ARG 35 27.857 48.857 16.321 262 HG3 ARG 35 HG3 ARG 35 27.222 50.386 16.944 263 HD2 ARG 35 HD2 ARG 35 28.294 50.986 14.931 264 HD3 ARG 35 HD3 ARG 35 29.424 51.467 16.178 265 HE ARG 35 HE ARG 35 30.820 49.546 15.669 266 HH11 ARG 35 HH11 ARG 35 28.427 50.172 13.128 267 HH12 ARG 35 HH12 ARG 35 29.526 49.406 11.971 268 HH21 ARG 35 HH21 ARG 35 31.736 48.270 14.267 269 HH22 ARG 35 HH22 ARG 35 31.246 48.326 12.561 270 H GLU 36 H GLU 36 29.412 47.086 20.335 271 HA GLU 36 HA GLU 36 28.286 44.846 18.760 272 HB2 GLU 36 HB2 GLU 36 30.711 44.969 19.549 273 HB3 GLU 36 HB3 GLU 36 30.134 44.762 21.200 274 HG2 GLU 36 HG2 GLU 36 30.873 42.626 20.232 275 HG3 GLU 36 HG3 GLU 36 29.157 42.577 20.640 276 H LEU 37 H LEU 37 28.030 46.211 22.024 277 HA LEU 37 HA LEU 37 26.124 44.193 22.974 278 HB2 LEU 37 HB2 LEU 37 27.172 46.822 24.083 279 HB3 LEU 37 HB3 LEU 37 26.055 45.774 24.945 280 HG LEU 37 HG LEU 37 28.791 44.803 24.014 281 HD11 LEU 37 HD11 LEU 37 29.046 46.684 25.545 282 HD12 LEU 37 HD12 LEU 37 27.956 45.912 26.722 283 HD13 LEU 37 HD13 LEU 37 29.522 45.166 26.318 284 HD21 LEU 37 HD21 LEU 37 26.735 43.727 26.002 285 HD22 LEU 37 HD22 LEU 37 27.250 42.975 24.478 286 HD23 LEU 37 HD23 LEU 37 28.390 43.106 25.816 287 H GLU 38 H GLU 38 25.751 46.647 20.826 288 HA GLU 38 HA GLU 38 23.423 47.935 21.705 289 HB2 GLU 38 HB2 GLU 38 25.220 48.670 20.086 290 HB3 GLU 38 HB3 GLU 38 24.484 47.635 18.866 291 HG2 GLU 38 HG2 GLU 38 23.957 50.058 18.671 292 HG3 GLU 38 HG3 GLU 38 22.545 49.026 18.777 293 H ASP 39 H ASP 39 23.520 44.790 20.783 294 HA ASP 39 HA ASP 39 20.769 44.501 19.766 295 HB2 ASP 39 HB2 ASP 39 22.727 42.494 20.948 296 HB3 ASP 39 HB3 ASP 39 21.166 42.094 20.240 297 H ILE 40 H ILE 40 22.058 45.324 22.794 298 HA ILE 40 HA ILE 40 19.792 44.138 24.329 299 HB ILE 40 HB ILE 40 22.578 44.970 25.181 300 HG12 ILE 40 HG12 ILE 40 22.264 42.283 25.840 301 HG13 ILE 40 HG13 ILE 40 21.349 42.372 24.343 302 HG21 ILE 40 HG21 ILE 40 20.377 43.785 26.886 303 HG22 ILE 40 HG22 ILE 40 22.096 43.928 27.347 304 HG23 ILE 40 HG23 ILE 40 21.145 45.383 27.072 305 HD11 ILE 40 HD11 ILE 40 23.709 41.723 23.988 306 HD12 ILE 40 HD12 ILE 40 23.375 43.262 23.188 307 HD13 ILE 40 HD13 ILE 40 24.258 43.236 24.732 308 H GLU 41 H GLU 41 20.796 47.136 23.122 309 HA GLU 41 HA GLU 41 20.256 48.940 25.261 310 HB2 GLU 41 HB2 GLU 41 21.636 49.466 23.327 311 HB3 GLU 41 HB3 GLU 41 20.254 49.311 22.247 312 HG2 GLU 41 HG2 GLU 41 20.804 51.667 22.645 313 HG3 GLU 41 HG3 GLU 41 19.191 51.287 23.213 314 H1 GLY 0 H1 GLY 0 29.132 55.538 26.716 315 H2 GLY 0 H2 GLY 0 30.690 55.889 26.304 316 H3 GLY 0 H3 GLY 0 29.657 57.101 26.624 317 HA2 GLY 0 HA2 GLY 0 31.228 56.727 28.447 318 HA3 GLY 0 HA3 GLY 0 29.532 56.521 28.925 319 H MET 1 H MET 1 32.263 55.180 29.789 320 HA MET 1 HA MET 1 32.267 52.514 28.813 321 HB2 MET 1 HB2 MET 1 34.177 53.646 29.970 322 HB3 MET 1 HB3 MET 1 33.316 53.445 31.506 323 HG2 MET 1 HG2 MET 1 33.268 50.955 31.073 324 HG3 MET 1 HG3 MET 1 34.256 51.221 29.640 325 HE1 MET 1 HE1 MET 1 36.499 53.287 30.524 326 HE2 MET 1 HE2 MET 1 37.722 52.188 31.191 327 HE3 MET 1 HE3 MET 1 36.853 51.739 29.710 328 H ASP 2 H ASP 2 30.468 53.903 31.533 329 HA ASP 2 HA ASP 2 29.582 51.637 32.847 330 HB2 ASP 2 HB2 ASP 2 27.754 53.972 32.289 331 HB3 ASP 2 HB3 ASP 2 27.843 52.961 33.728 332 H ALA 3 H ALA 3 28.360 52.906 29.724 333 HA ALA 3 HA ALA 3 25.986 51.262 29.654 334 HB1 ALA 3 HB1 ALA 3 27.553 52.597 27.401 335 HB2 ALA 3 HB2 ALA 3 25.893 51.972 27.309 336 HB3 ALA 3 HB3 ALA 3 26.253 53.351 28.356 337 H ILE 4 H ILE 4 29.355 50.754 28.589 338 HA ILE 4 HA ILE 4 28.856 48.165 27.346 339 HB ILE 4 HB ILE 4 31.435 49.363 28.446 340 HG12 ILE 4 HG12 ILE 4 31.729 49.234 25.705 341 HG13 ILE 4 HG13 ILE 4 30.007 49.561 25.815 342 HG21 ILE 4 HG21 ILE 4 31.562 46.881 28.363 343 HG22 ILE 4 HG22 ILE 4 31.115 46.937 26.646 344 HG23 ILE 4 HG23 ILE 4 32.631 47.661 27.199 345 HD11 ILE 4 HD11 ILE 4 30.551 51.577 27.233 346 HD12 ILE 4 HD12 ILE 4 32.280 51.195 27.029 347 HD13 ILE 4 HD13 ILE 4 31.294 51.647 25.630 348 H LYS 5 H LYS 5 30.042 49.207 30.577 349 HA LYS 5 HA LYS 5 30.180 46.583 31.717 350 HB2 LYS 5 HB2 LYS 5 29.843 49.330 32.994 351 HB3 LYS 5 HB3 LYS 5 30.042 47.840 33.920 352 HG2 LYS 5 HG2 LYS 5 32.187 47.391 32.744 353 HG3 LYS 5 HG3 LYS 5 32.055 48.943 31.909 354 HD2 LYS 5 HD2 LYS 5 32.302 50.181 33.958 355 HD3 LYS 5 HD3 LYS 5 32.049 48.727 34.948 356 HE2 LYS 5 HE2 LYS 5 34.139 47.741 34.081 357 HE3 LYS 5 HE3 LYS 5 34.440 49.171 33.093 358 HZ1 LYS 5 HZ1 LYS 5 35.592 49.018 35.342 359 HZ2 LYS 5 HZ2 LYS 5 34.826 50.452 35.036 360 HZ3 LYS 5 HZ3 LYS 5 34.189 49.311 36.047 361 H LYS 6 H LYS 6 27.363 48.735 31.463 362 HA LYS 6 HA LYS 6 25.626 46.922 32.983 363 HB2 LYS 6 HB2 LYS 6 25.143 49.464 31.389 364 HB3 LYS 6 HB3 LYS 6 23.835 48.525 32.111 365 HG2 LYS 6 HG2 LYS 6 24.780 48.766 34.343 366 HG3 LYS 6 HG3 LYS 6 26.189 49.631 33.711 367 HD2 LYS 6 HD2 LYS 6 24.719 51.472 32.931 368 HD3 LYS 6 HD3 LYS 6 23.299 50.573 33.473 369 HE2 LYS 6 HE2 LYS 6 23.725 52.192 35.148 370 HE3 LYS 6 HE3 LYS 6 24.200 50.633 35.833 371 HZ1 LYS 6 HZ1 LYS 6 26.506 51.213 35.498 372 HZ2 LYS 6 HZ2 LYS 6 26.083 52.578 34.628 373 HZ3 LYS 6 HZ3 LYS 6 25.805 52.487 36.218 374 H LYS 7 H LYS 7 25.777 47.736 29.417 375 HA LYS 7 HA LYS 7 23.744 45.767 28.822 376 HB2 LYS 7 HB2 LYS 7 25.774 47.106 26.985 377 HB3 LYS 7 HB3 LYS 7 24.493 45.989 26.463 378 HG2 LYS 7 HG2 LYS 7 22.790 47.460 27.506 379 HG3 LYS 7 HG3 LYS 7 24.028 48.651 27.857 380 HD2 LYS 7 HD2 LYS 7 23.350 47.701 25.025 381 HD3 LYS 7 HD3 LYS 7 22.554 49.037 25.848 382 HE2 LYS 7 HE2 LYS 7 24.946 50.003 26.186 383 HE3 LYS 7 HE3 LYS 7 25.419 48.910 24.878 384 HZ1 LYS 7 HZ1 LYS 7 23.915 50.114 23.377 385 HZ2 LYS 7 HZ2 LYS 7 23.186 50.852 24.651 386 HZ3 LYS 7 HZ3 LYS 7 24.703 51.266 24.253 387 H MET 8 H MET 8 27.295 45.382 29.070 388 HA MET 8 HA MET 8 27.293 42.635 28.193 389 HB2 MET 8 HB2 MET 8 29.344 43.923 28.325 390 HB3 MET 8 HB3 MET 8 29.163 44.119 30.078 391 HG2 MET 8 HG2 MET 8 29.544 41.791 30.476 392 HG3 MET 8 HG3 MET 8 29.331 41.391 28.773 393 HE1 MET 8 HE1 MET 8 31.710 43.140 31.407 394 HE2 MET 8 HE2 MET 8 33.105 43.571 30.392 395 HE3 MET 8 HE3 MET 8 31.560 44.417 30.172 396 H GLN 9 H GLN 9 26.707 44.072 31.450 397 HA GLN 9 HA GLN 9 26.566 41.567 32.844 398 HB2 GLN 9 HB2 GLN 9 26.877 43.725 33.973 399 HB3 GLN 9 HB3 GLN 9 25.312 44.281 33.396 400 HG2 GLN 9 HG2 GLN 9 24.975 43.732 35.619 401 HG3 GLN 9 HG3 GLN 9 24.223 42.411 34.751 402 HE21 GLN 9 HE21 GLN 9 26.372 41.228 37.648 403 HE22 GLN 9 HE22 GLN 9 25.011 42.341 37.488 404 H MET 10 H MET 10 24.006 43.554 31.275 405 HA MET 10 HA MET 10 21.808 41.779 31.723 406 HB2 MET 10 HB2 MET 10 22.479 43.775 29.551 407 HB3 MET 10 HB3 MET 10 20.971 42.866 29.527 408 HG2 MET 10 HG2 MET 10 21.867 44.581 31.872 409 HG3 MET 10 HG3 MET 10 20.896 45.193 30.543 410 HE1 MET 10 HE1 MET 10 18.452 44.572 30.005 411 HE2 MET 10 HE2 MET 10 18.743 42.814 29.938 412 HE3 MET 10 HE3 MET 10 17.443 43.460 30.958 413 H LEU 11 H LEU 11 24.223 41.761 29.037 414 HA LEU 11 HA LEU 11 23.063 39.529 27.686 415 HB2 LEU 11 HB2 LEU 11 24.582 41.120 26.623 416 HB3 LEU 11 HB3 LEU 11 25.883 40.663 27.721 417 HG LEU 11 HG LEU 11 25.942 38.398 26.752 418 HD11 LEU 11 HD11 LEU 11 23.934 39.452 24.717 419 HD12 LEU 11 HD12 LEU 11 24.765 37.873 24.682 420 HD13 LEU 11 HD13 LEU 11 23.590 38.232 25.955 421 HD21 LEU 11 HD21 LEU 11 26.969 39.017 24.631 422 HD22 LEU 11 HD22 LEU 11 26.136 40.590 24.651 423 HD23 LEU 11 HD23 LEU 11 27.374 40.216 25.867 424 H LYS 12 H LYS 12 25.445 39.636 30.342 425 HA LYS 12 HA LYS 12 25.865 36.740 30.410 426 HB2 LYS 12 HB2 LYS 12 26.441 38.980 32.399 427 HB3 LYS 12 HB3 LYS 12 26.750 37.272 32.742 428 HG2 LYS 12 HG2 LYS 12 28.203 37.102 30.752 429 HG3 LYS 12 HG3 LYS 12 27.970 38.825 30.422 430 HD2 LYS 12 HD2 LYS 12 29.045 39.408 32.566 431 HD3 LYS 12 HD3 LYS 12 29.181 37.685 32.980 432 HE2 LYS 12 HE2 LYS 12 30.525 37.349 30.867 433 HE3 LYS 12 HE3 LYS 12 30.527 39.103 30.633 434 HZ1 LYS 12 HZ1 LYS 12 31.714 37.628 32.929 435 HZ2 LYS 12 HZ2 LYS 12 32.534 38.310 31.719 436 HZ3 LYS 12 HZ3 LYS 12 31.735 39.266 32.786 437 H LEU 13 H LEU 13 23.519 38.893 32.029 438 HA LEU 13 HA LEU 13 22.506 36.950 33.835 439 HB2 LEU 13 HB2 LEU 13 21.369 39.462 32.602 440 HB3 LEU 13 HB3 LEU 13 20.368 38.467 33.647 441 HG LEU 13 HG LEU 13 23.101 39.424 34.584 442 HD11 LEU 13 HD11 LEU 13 20.428 40.863 34.876 443 HD12 LEU 13 HD12 LEU 13 21.929 41.291 35.720 444 HD13 LEU 13 HD13 LEU 13 21.840 41.435 33.963 445 HD21 LEU 13 HD21 LEU 13 22.103 39.123 36.807 446 HD22 LEU 13 HD22 LEU 13 20.548 38.666 36.075 447 HD23 LEU 13 HD23 LEU 13 21.961 37.615 35.891 448 H ASP 14 H ASP 14 21.578 37.428 30.407 449 HA ASP 14 HA ASP 14 19.540 35.402 30.344 450 HB2 ASP 14 HB2 ASP 14 21.471 36.506 28.293 451 HB3 ASP 14 HB3 ASP 14 20.575 35.041 27.933 452 H ASN 15 H ASN 15 23.097 35.108 29.851 453 HA ASN 15 HA ASN 15 23.084 32.313 29.335 454 HB2 ASN 15 HB2 ASN 15 24.866 34.166 28.873 455 HB3 ASN 15 HB3 ASN 15 25.439 33.847 30.511 456 HD21 ASN 15 HD21 ASN 15 26.002 31.103 27.494 457 HD22 ASN 15 HD22 ASN 15 24.677 32.278 27.400 458 H TYR 16 H TYR 16 23.681 34.089 32.381 459 HA TYR 16 HA TYR 16 24.259 31.906 34.085 460 HB2 TYR 16 HB2 TYR 16 22.815 34.529 34.627 461 HB3 TYR 16 HB3 TYR 16 23.359 33.442 35.883 462 HD1 TYR 16 HD1 TYR 16 26.179 32.816 34.574 463 HD2 TYR 16 HD2 TYR 16 23.981 36.414 35.490 464 HE1 TYR 16 HE1 TYR 16 28.309 34.051 34.884 465 HE2 TYR 16 HE2 TYR 16 26.117 37.651 35.770 466 HH TYR 16 HH TYR 16 28.394 37.490 35.891 467 H HIS 17 H HIS 17 21.102 33.000 32.900 468 HA HIS 17 HA HIS 17 19.578 31.164 34.659 469 HB2 HIS 17 HB2 HIS 17 18.431 33.156 34.216 470 HB3 HIS 17 HB3 HIS 17 18.930 33.207 32.532 471 HD2 HIS 17 HD2 HIS 17 17.059 32.733 30.897 472 HE1 HIS 17 HE1 HIS 17 14.620 30.143 33.226 473 HE2 HIS 17 HE2 HIS 17 14.793 31.379 31.020 474 H LEU 18 H LEU 18 20.387 31.420 31.175 475 HA LEU 18 HA LEU 18 18.795 29.272 30.358 476 HB2 LEU 18 HB2 LEU 18 21.235 30.608 29.162 477 HB3 LEU 18 HB3 LEU 18 20.396 29.312 28.324 478 HG LEU 18 HG LEU 18 18.920 31.803 29.246 479 HD11 LEU 18 HD11 LEU 18 20.765 32.459 27.715 480 HD12 LEU 18 HD12 LEU 18 20.165 31.295 26.513 481 HD13 LEU 18 HD13 LEU 18 19.166 32.683 26.980 482 HD21 LEU 18 HD21 LEU 18 18.310 29.718 27.105 483 HD22 LEU 18 HD22 LEU 18 17.490 29.874 28.675 484 HD23 LEU 18 HD23 LEU 18 17.335 31.156 27.467 485 H GLU 19 H GLU 19 22.278 29.027 31.323 486 HA GLU 19 HA GLU 19 22.557 26.264 30.608 487 HB2 GLU 19 HB2 GLU 19 24.415 27.853 31.274 488 HB3 GLU 19 HB3 GLU 19 23.838 27.752 32.920 489 HG2 GLU 19 HG2 GLU 19 25.491 26.224 33.082 490 HG3 GLU 19 HG3 GLU 19 24.206 25.128 32.625 491 H ASN 20 H ASN 20 21.264 27.755 33.579 492 HA ASN 20 HA ASN 20 20.880 25.260 35.035 493 HB2 ASN 20 HB2 ASN 20 21.229 27.249 36.299 494 HB3 ASN 20 HB3 ASN 20 20.028 28.158 35.392 495 HD21 ASN 20 HD21 ASN 20 17.320 27.150 37.392 496 HD22 ASN 20 HD22 ASN 20 17.816 27.953 35.909 497 H GLU 21 H GLU 21 18.719 27.376 33.076 498 HA GLU 21 HA GLU 21 16.355 25.784 33.577 499 HB2 GLU 21 HB2 GLU 21 16.288 28.156 32.969 500 HB3 GLU 21 HB3 GLU 21 17.028 27.799 31.412 501 HG2 GLU 21 HG2 GLU 21 14.753 28.151 30.983 502 HG3 GLU 21 HG3 GLU 21 14.992 26.422 30.818 503 H VAL 22 H VAL 22 18.752 25.757 30.873 504 HA VAL 22 HA VAL 22 17.475 23.610 29.422 505 HB VAL 22 HB VAL 22 20.327 24.647 29.473 506 HG11 VAL 22 HG11 VAL 22 20.538 22.294 28.856 507 HG12 VAL 22 HG12 VAL 22 19.189 22.444 27.702 508 HG13 VAL 22 HG13 VAL 22 20.720 23.299 27.419 509 HG21 VAL 22 HG21 VAL 22 19.703 25.449 27.208 510 HG22 VAL 22 HG22 VAL 22 18.098 24.714 27.372 511 HG23 VAL 22 HG23 VAL 22 18.572 26.077 28.410 512 H ALA 23 H ALA 23 19.926 23.570 32.090 513 HA ALA 23 HA ALA 23 20.152 20.736 32.169 514 HB1 ALA 23 HB1 ALA 23 20.390 22.744 34.450 515 HB2 ALA 23 HB2 ALA 23 21.008 21.077 34.440 516 HB3 ALA 23 HB3 ALA 23 21.681 22.277 33.325 517 H ARG 24 H ARG 24 17.773 22.870 33.874 518 HA ARG 24 HA ARG 24 16.309 20.778 35.196 519 HB2 ARG 24 HB2 ARG 24 16.060 23.235 35.651 520 HB3 ARG 24 HB3 ARG 24 15.256 23.425 34.090 521 HG2 ARG 24 HG2 ARG 24 13.476 21.785 34.883 522 HG3 ARG 24 HG3 ARG 24 14.288 21.754 36.450 523 HD2 ARG 24 HD2 ARG 24 12.453 23.264 36.637 524 HD3 ARG 24 HD3 ARG 24 13.916 24.242 36.619 525 HE ARG 24 HE ARG 24 13.400 25.053 34.438 526 HH11 ARG 24 HH11 ARG 24 10.686 23.192 35.667 527 HH12 ARG 24 HH12 ARG 24 9.733 23.517 34.242 528 HH21 ARG 24 HH21 ARG 24 12.010 25.701 32.920 529 HH22 ARG 24 HH22 ARG 24 10.392 25.027 32.827 530 H LEU 25 H LEU 25 15.782 22.241 31.964 531 HA LEU 25 HA LEU 25 13.538 20.577 31.334 532 HB2 LEU 25 HB2 LEU 25 15.441 22.216 29.634 533 HB3 LEU 25 HB3 LEU 25 14.041 21.377 28.969 534 HG LEU 25 HG LEU 25 13.809 23.469 31.173 535 HD11 LEU 25 HD11 LEU 25 14.752 24.448 29.117 536 HD12 LEU 25 HD12 LEU 25 13.416 23.761 28.162 537 HD13 LEU 25 HD13 LEU 25 13.097 25.005 29.398 538 HD21 LEU 25 HD21 LEU 25 11.867 21.971 31.064 539 HD22 LEU 25 HD22 LEU 25 11.447 23.560 30.425 540 HD23 LEU 25 HD23 LEU 25 11.750 22.214 29.306 541 H LYS 26 H LYS 26 17.032 20.088 30.511 542 HA LYS 26 HA LYS 26 16.674 17.615 29.086 543 HB2 LYS 26 HB2 LYS 26 18.949 18.714 30.787 544 HB3 LYS 26 HB3 LYS 26 19.025 17.114 30.042 545 HG2 LYS 26 HG2 LYS 26 18.785 18.067 27.801 546 HG3 LYS 26 HG3 LYS 26 18.560 19.678 28.482 547 HD2 LYS 26 HD2 LYS 26 20.833 19.537 27.688 548 HD3 LYS 26 HD3 LYS 26 20.834 19.608 29.446 549 HE2 LYS 26 HE2 LYS 26 22.392 17.963 29.117 550 HE3 LYS 26 HE3 LYS 26 20.953 16.970 29.317 551 HZ1 LYS 26 HZ1 LYS 26 22.363 17.673 26.819 552 HZ2 LYS 26 HZ2 LYS 26 22.103 16.172 27.428 553 HZ3 LYS 26 HZ3 LYS 26 20.855 17.033 26.757 554 H LYS 27 H LYS 27 17.034 18.195 32.598 555 HA LYS 27 HA LYS 27 16.879 15.415 33.357 556 HB2 LYS 27 HB2 LYS 27 16.390 17.999 34.885 557 HB3 LYS 27 HB3 LYS 27 16.361 16.403 35.644 558 HG2 LYS 27 HG2 LYS 27 18.667 15.987 35.177 559 HG3 LYS 27 HG3 LYS 27 18.766 17.310 34.018 560 HD2 LYS 27 HD2 LYS 27 18.352 18.928 35.927 561 HD3 LYS 27 HD3 LYS 27 18.544 17.562 37.042 562 HE2 LYS 27 HE2 LYS 27 20.813 17.148 36.235 563 HE3 LYS 27 HE3 LYS 27 20.606 18.298 34.915 564 HZ1 LYS 27 HZ1 LYS 27 21.876 19.285 36.726 565 HZ2 LYS 27 HZ2 LYS 27 20.466 20.086 36.571 566 HZ3 LYS 27 HZ3 LYS 27 20.650 19.036 37.796 567 H LEU 28 H LEU 28 14.293 17.904 33.117 568 HA LEU 28 HA LEU 28 12.136 16.200 33.881 569 HB2 LEU 28 HB2 LEU 28 11.974 18.622 33.857 570 HB3 LEU 28 HB3 LEU 28 12.296 18.675 32.126 571 HG LEU 28 HG LEU 28 10.128 17.564 31.661 572 HD11 LEU 28 HD11 LEU 28 9.812 16.307 33.781 573 HD12 LEU 28 HD12 LEU 28 9.649 17.841 34.660 574 HD13 LEU 28 HD13 LEU 28 8.439 17.364 33.450 575 HD21 LEU 28 HD21 LEU 28 9.904 20.021 33.441 576 HD22 LEU 28 HD22 LEU 28 10.301 20.020 31.706 577 HD23 LEU 28 HD23 LEU 28 8.710 19.470 32.248 578 H VAL 29 H VAL 29 13.464 16.857 30.615 579 HA VAL 29 HA VAL 29 11.664 15.157 29.142 580 HB VAL 29 HB VAL 29 14.418 16.324 28.624 581 HG11 VAL 29 HG11 VAL 29 12.828 14.683 26.620 582 HG12 VAL 29 HG12 VAL 29 14.246 15.700 26.260 583 HG13 VAL 29 HG13 VAL 29 14.429 14.278 27.280 584 HG21 VAL 29 HG21 VAL 29 13.180 17.700 26.995 585 HG22 VAL 29 HG22 VAL 29 11.689 16.803 27.345 586 HG23 VAL 29 HG23 VAL 29 12.427 17.836 28.587 587 H GLY 30 H GLY 30 14.494 14.415 31.075 588 HA2 GLY 30 HA2 GLY 30 15.354 12.336 31.679 589 HA3 GLY 30 HA3 GLY 30 14.208 11.525 30.598 590 H GLU 31 H GLU 31 16.433 14.146 29.697 591 HA GLU 31 HA GLU 31 17.852 12.458 27.699 592 HB2 GLU 31 HB2 GLU 31 16.970 14.683 27.108 593 HB3 GLU 31 HB3 GLU 31 17.984 15.445 28.328 594 HG2 GLU 31 HG2 GLU 31 19.979 14.960 27.126 595 HG3 GLU 31 HG3 GLU 31 19.176 13.783 26.092 596 H ARG 32 H ARG 32 20.383 13.084 27.657 597 HA ARG 32 HA ARG 32 21.572 12.975 30.397 598 HB2 ARG 32 HB2 ARG 32 22.528 11.404 27.966 599 HB3 ARG 32 HB3 ARG 32 23.270 11.409 29.566 600 HG2 ARG 32 HG2 ARG 32 20.493 10.328 28.912 601 HG3 ARG 32 HG3 ARG 32 21.939 9.363 29.095 602 HD2 ARG 32 HD2 ARG 32 22.145 9.932 31.438 603 HD3 ARG 32 HD3 ARG 32 20.824 11.104 31.335 604 HE ARG 32 HE ARG 32 20.596 8.139 31.359 605 HH11 ARG 32 HH11 ARG 32 18.798 11.158 30.936 606 HH12 ARG 32 HH12 ARG 32 17.316 10.257 30.766 607 HH21 ARG 32 HH21 ARG 32 18.668 7.230 31.471 608 HH22 ARG 32 HH22 ARG 32 17.178 8.182 31.334 609 H1 GLY 0 H1 GLY 0 44.135 43.866 19.976 610 H2 GLY 0 H2 GLY 0 42.762 44.635 19.538 611 H3 GLY 0 H3 GLY 0 42.693 43.048 19.949 612 HA2 GLY 0 HA2 GLY 0 43.370 43.579 22.217 613 HA3 GLY 0 HA3 GLY 0 43.352 45.296 21.747 614 H MET 1 H MET 1 41.336 46.248 21.109 615 HA MET 1 HA MET 1 38.951 45.667 22.448 616 HB2 MET 1 HB2 MET 1 39.408 47.743 21.335 617 HB3 MET 1 HB3 MET 1 39.528 46.983 19.762 618 HG2 MET 1 HG2 MET 1 36.977 46.939 21.387 619 HG3 MET 1 HG3 MET 1 37.392 48.304 20.364 620 HE1 MET 1 HE1 MET 1 37.183 46.888 16.738 621 HE2 MET 1 HE2 MET 1 37.550 48.292 17.764 622 HE3 MET 1 HE3 MET 1 38.671 46.908 17.700 623 H ASP 2 H ASP 2 39.994 44.401 19.259 624 HA ASP 2 HA ASP 2 37.644 43.141 18.494 625 HB2 ASP 2 HB2 ASP 2 38.918 41.841 16.991 626 HB3 ASP 2 HB3 ASP 2 39.684 43.420 17.103 627 H ALA 3 H ALA 3 40.028 41.852 20.833 628 HA ALA 3 HA ALA 3 39.010 39.178 20.924 629 HB1 ALA 3 HB1 ALA 3 41.226 39.860 21.774 630 HB2 ALA 3 HB2 ALA 3 40.448 40.803 23.066 631 HB3 ALA 3 HB3 ALA 3 40.274 39.036 23.025 632 H ILE 4 H ILE 4 38.120 42.093 22.815 633 HA ILE 4 HA ILE 4 36.140 40.671 24.426 634 HB ILE 4 HB ILE 4 36.468 43.659 23.951 635 HG12 ILE 4 HG12 ILE 4 37.484 41.841 26.187 636 HG13 ILE 4 HG13 ILE 4 38.468 42.674 24.983 637 HG21 ILE 4 HG21 ILE 4 34.882 42.152 26.090 638 HG22 ILE 4 HG22 ILE 4 35.051 43.914 25.969 639 HG23 ILE 4 HG23 ILE 4 34.171 43.043 24.729 640 HD11 ILE 4 HD11 ILE 4 37.641 44.874 25.924 641 HD12 ILE 4 HD12 ILE 4 36.929 43.946 27.267 642 HD13 ILE 4 HD13 ILE 4 38.675 43.910 26.997 643 H LYS 5 H LYS 5 36.029 42.640 21.431 644 HA LYS 5 HA LYS 5 33.219 42.525 20.986 645 HB2 LYS 5 HB2 LYS 5 34.945 43.960 19.834 646 HB3 LYS 5 HB3 LYS 5 35.438 42.550 18.896 647 HG2 LYS 5 HG2 LYS 5 33.240 42.411 17.848 648 HG3 LYS 5 HG3 LYS 5 32.617 43.688 18.919 649 HD2 LYS 5 HD2 LYS 5 34.061 45.356 17.921 650 HD3 LYS 5 HD3 LYS 5 34.939 44.128 17.012 651 HE2 LYS 5 HE2 LYS 5 33.504 45.173 15.444 652 HE3 LYS 5 HE3 LYS 5 32.824 43.574 15.777 653 HZ1 LYS 5 HZ1 LYS 5 31.233 44.629 17.258 654 HZ2 LYS 5 HZ2 LYS 5 31.846 46.167 16.835 655 HZ3 LYS 5 HZ3 LYS 5 31.111 45.191 15.754 656 H LYS 6 H LYS 6 35.741 40.252 19.851 657 HA LYS 6 HA LYS 6 34.067 38.245 18.681 658 HB2 LYS 6 HB2 LYS 6 36.761 38.127 20.092 659 HB3 LYS 6 HB3 LYS 6 36.028 36.716 19.338 660 HG2 LYS 6 HG2 LYS 6 36.258 37.552 17.159 661 HG3 LYS 6 HG3 LYS 6 36.467 39.225 17.690 662 HD2 LYS 6 HD2 LYS 6 38.644 38.637 18.724 663 HD3 LYS 6 HD3 LYS 6 38.439 36.956 18.210 664 HE2 LYS 6 HE2 LYS 6 38.578 37.560 15.895 665 HE3 LYS 6 HE3 LYS 6 38.486 39.292 16.247 666 HZ1 LYS 6 HZ1 LYS 6 40.691 37.660 17.359 667 HZ2 LYS 6 HZ2 LYS 6 40.772 38.250 15.811 668 HZ3 LYS 6 HZ3 LYS 6 40.664 39.286 17.066 669 H LYS 7 H LYS 7 35.238 38.517 22.093 670 HA LYS 7 HA LYS 7 33.903 36.198 23.050 671 HB2 LYS 7 HB2 LYS 7 35.694 37.615 24.224 672 HB3 LYS 7 HB3 LYS 7 34.391 38.712 24.708 673 HG2 LYS 7 HG2 LYS 7 33.241 36.760 25.817 674 HG3 LYS 7 HG3 LYS 7 34.596 35.730 25.333 675 HD2 LYS 7 HD2 LYS 7 36.124 37.231 26.708 676 HD3 LYS 7 HD3 LYS 7 34.662 38.073 27.285 677 HE2 LYS 7 HE2 LYS 7 33.768 35.785 27.992 678 HE3 LYS 7 HE3 LYS 7 35.350 35.111 27.601 679 HZ1 LYS 7 HZ1 LYS 7 36.299 36.593 29.347 680 HZ2 LYS 7 HZ2 LYS 7 34.764 37.120 29.716 681 HZ3 LYS 7 HZ3 LYS 7 35.198 35.555 29.910 682 H MET 8 H MET 8 32.633 39.544 22.778 683 HA MET 8 HA MET 8 30.069 38.865 23.946 684 HB2 MET 8 HB2 MET 8 30.893 41.195 22.187 685 HB3 MET 8 HB3 MET 8 29.322 41.033 22.978 686 HG2 MET 8 HG2 MET 8 32.015 41.287 24.369 687 HG3 MET 8 HG3 MET 8 30.762 42.505 24.239 688 HE1 MET 8 HE1 MET 8 31.453 38.813 25.766 689 HE2 MET 8 HE2 MET 8 32.426 40.123 26.484 690 HE3 MET 8 HE3 MET 8 31.173 39.311 27.445 691 H GLN 9 H GLN 9 31.145 38.936 20.482 692 HA GLN 9 HA GLN 9 28.557 38.154 19.474 693 HB2 GLN 9 HB2 GLN 9 31.353 37.733 18.325 694 HB3 GLN 9 HB3 GLN 9 29.844 37.279 17.507 695 HG2 GLN 9 HG2 GLN 9 29.053 39.663 17.867 696 HG3 GLN 9 HG3 GLN 9 30.696 40.073 18.349 697 HE21 GLN 9 HE21 GLN 9 30.805 41.150 14.934 698 HE22 GLN 9 HE22 GLN 9 30.366 41.671 16.550 699 H MET 10 H MET 10 31.352 36.143 20.530 700 HA MET 10 HA MET 10 30.112 33.632 20.093 701 HB2 MET 10 HB2 MET 10 32.534 34.044 20.583 702 HB3 MET 10 HB3 MET 10 32.112 34.388 22.259 703 HG2 MET 10 HG2 MET 10 32.906 32.122 22.110 704 HG3 MET 10 HG3 MET 10 31.194 32.094 22.500 705 HE1 MET 10 HE1 MET 10 33.078 32.519 18.946 706 HE2 MET 10 HE2 MET 10 33.991 31.328 19.904 707 HE3 MET 10 HE3 MET 10 33.093 30.814 18.458 708 H LEU 11 H LEU 11 29.939 35.734 23.021 709 HA LEU 11 HA LEU 11 28.290 33.929 24.517 710 HB2 LEU 11 HB2 LEU 11 29.680 35.712 25.486 711 HB3 LEU 11 HB3 LEU 11 28.679 36.940 24.711 712 HG LEU 11 HG LEU 11 26.751 36.299 26.105 713 HD11 LEU 11 HD11 LEU 11 27.136 33.922 26.502 714 HD12 LEU 11 HD12 LEU 11 28.662 34.267 27.348 715 HD13 LEU 11 HD13 LEU 11 27.108 34.761 28.051 716 HD21 LEU 11 HD21 LEU 11 29.282 36.689 27.763 717 HD22 LEU 11 HD22 LEU 11 28.413 37.984 26.911 718 HD23 LEU 11 HD23 LEU 11 27.620 37.114 28.235 719 H LYS 12 H LYS 12 27.399 36.568 22.243 720 HA LYS 12 HA LYS 12 24.530 36.281 22.639 721 HB2 LYS 12 HB2 LYS 12 26.212 37.416 20.368 722 HB3 LYS 12 HB3 LYS 12 24.445 37.338 20.303 723 HG2 LYS 12 HG2 LYS 12 24.293 38.620 22.420 724 HG3 LYS 12 HG3 LYS 12 26.050 38.804 22.442 725 HD2 LYS 12 HD2 LYS 12 24.147 39.858 20.315 726 HD3 LYS 12 HD3 LYS 12 24.890 40.816 21.604 727 HE2 LYS 12 HE2 LYS 12 27.151 40.304 20.671 728 HE3 LYS 12 HE3 LYS 12 26.384 39.367 19.378 729 HZ1 LYS 12 HZ1 LYS 12 26.113 42.287 19.796 730 HZ2 LYS 12 HZ2 LYS 12 26.848 41.522 18.570 731 HZ3 LYS 12 HZ3 LYS 12 25.195 41.420 18.733 732 H LEU 13 H LEU 13 26.808 34.654 20.414 733 HA LEU 13 HA LEU 13 24.796 33.013 19.161 734 HB2 LEU 13 HB2 LEU 13 27.797 32.697 19.502 735 HB3 LEU 13 HB3 LEU 13 26.816 31.557 18.590 736 HG LEU 13 HG LEU 13 26.943 34.531 17.918 737 HD11 LEU 13 HD11 LEU 13 29.168 33.501 17.682 738 HD12 LEU 13 HD12 LEU 13 28.475 32.201 16.688 739 HD13 LEU 13 HD13 LEU 13 28.472 33.886 16.108 740 HD21 LEU 13 HD21 LEU 13 26.077 33.790 15.729 741 HD22 LEU 13 HD22 LEU 13 25.958 32.113 16.342 742 HD23 LEU 13 HD23 LEU 13 24.945 33.406 17.018 743 H ASP 14 H ASP 14 26.826 32.428 22.083 744 HA ASP 14 HA ASP 14 25.875 29.812 22.624 745 HB2 ASP 14 HB2 ASP 14 27.795 31.107 23.731 746 HB3 ASP 14 HB3 ASP 14 26.578 31.898 24.734 747 H ASN 15 H ASN 15 24.547 32.965 23.774 748 HA ASN 15 HA ASN 15 22.261 31.835 25.090 749 HB2 ASN 15 HB2 ASN 15 22.771 34.582 23.875 750 HB3 ASN 15 HB3 ASN 15 21.316 34.177 24.793 751 HD21 ASN 15 HD21 ASN 15 23.748 35.770 27.113 752 HD22 ASN 15 HD22 ASN 15 23.098 36.232 25.551 753 H TYR 16 H TYR 16 22.630 32.945 21.679 754 HA TYR 16 HA TYR 16 19.926 32.434 20.878 755 HB2 TYR 16 HB2 TYR 16 21.263 33.786 19.474 756 HB3 TYR 16 HB3 TYR 16 22.588 32.638 19.466 757 HD1 TYR 16 HD1 TYR 16 22.819 30.979 17.813 758 HD2 TYR 16 HD2 TYR 16 19.104 33.145 18.178 759 HE1 TYR 16 HE1 TYR 16 22.014 29.979 15.671 760 HE2 TYR 16 HE2 TYR 16 18.301 32.125 16.053 761 HH TYR 16 HH TYR 16 18.845 30.760 14.267 762 H HIS 17 H HIS 17 22.778 30.256 20.945 763 HA HIS 17 HA HIS 17 21.450 27.960 19.818 764 HB2 HIS 17 HB2 HIS 17 23.921 28.278 20.041 765 HB3 HIS 17 HB3 HIS 17 23.777 28.099 21.785 766 HD2 HIS 17 HD2 HIS 17 24.401 26.126 18.719 767 HE1 HIS 17 HE1 HIS 17 23.171 23.212 21.577 768 HE2 HIS 17 HE2 HIS 17 24.312 23.566 19.320 769 H LEU 18 H LEU 18 22.003 28.918 23.245 770 HA LEU 18 HA LEU 18 20.560 26.771 24.381 771 HB2 LEU 18 HB2 LEU 18 21.197 29.551 25.389 772 HB3 LEU 18 HB3 LEU 18 20.446 28.310 26.394 773 HG LEU 18 HG LEU 18 23.109 27.809 25.009 774 HD11 LEU 18 HD11 LEU 18 22.705 28.926 27.817 775 HD12 LEU 18 HD12 LEU 18 24.241 28.475 27.051 776 HD13 LEU 18 HD13 LEU 18 23.323 29.844 26.423 777 HD21 LEU 18 HD21 LEU 18 21.831 26.620 27.510 778 HD22 LEU 18 HD22 LEU 18 21.926 25.832 25.914 779 HD23 LEU 18 HD23 LEU 18 23.404 26.175 26.817 780 H GLU 19 H GLU 19 19.249 30.017 23.424 781 HA GLU 19 HA GLU 19 16.587 29.499 24.395 782 HB2 GLU 19 HB2 GLU 19 17.512 31.232 22.078 783 HB3 GLU 19 HB3 GLU 19 15.887 31.238 22.729 784 HG2 GLU 19 HG2 GLU 19 17.966 31.687 24.802 785 HG3 GLU 19 HG3 GLU 19 18.032 32.857 23.500 786 H ASN 20 H ASN 20 18.239 28.216 21.582 787 HA ASN 20 HA ASN 20 15.701 27.140 20.459 788 HB2 ASN 20 HB2 ASN 20 18.530 27.330 19.390 789 HB3 ASN 20 HB3 ASN 20 17.302 26.298 18.651 790 HD21 ASN 20 HD21 ASN 20 17.012 30.315 18.112 791 HD22 ASN 20 HD22 ASN 20 18.307 29.642 19.109 792 H GLU 21 H GLU 21 18.571 25.973 22.264 793 HA GLU 21 HA GLU 21 17.720 23.198 22.253 794 HB2 GLU 21 HB2 GLU 21 19.418 24.875 24.127 795 HB3 GLU 21 HB3 GLU 21 19.020 23.207 24.504 796 HG2 GLU 21 HG2 GLU 21 20.437 24.138 21.966 797 HG3 GLU 21 HG3 GLU 21 21.225 23.425 23.382 798 H VAL 22 H VAL 22 16.881 25.963 24.387 799 HA VAL 22 HA VAL 22 14.987 24.598 26.031 800 HB VAL 22 HB VAL 22 15.084 27.466 25.028 801 HG11 VAL 22 HG11 VAL 22 13.142 26.261 27.047 802 HG12 VAL 22 HG12 VAL 22 13.424 28.002 26.816 803 HG13 VAL 22 HG13 VAL 22 12.727 27.053 25.507 804 HG21 VAL 22 HG21 VAL 22 15.752 27.957 27.339 805 HG22 VAL 22 HG22 VAL 22 15.582 26.245 27.784 806 HG23 VAL 22 HG23 VAL 22 16.843 26.757 26.652 807 H ALA 23 H ALA 23 14.503 26.059 22.752 808 HA ALA 23 HA ALA 23 11.755 25.334 22.570 809 HB1 ALA 23 HB1 ALA 23 11.991 25.788 20.198 810 HB2 ALA 23 HB2 ALA 23 12.891 27.002 21.123 811 HB3 ALA 23 HB3 ALA 23 13.754 25.682 20.299 812 H ARG 24 H ARG 24 14.673 23.480 21.534 813 HA ARG 24 HA ARG 24 13.318 21.212 20.450 814 HB2 ARG 24 HB2 ARG 24 15.762 21.725 20.215 815 HB3 ARG 24 HB3 ARG 24 15.994 21.310 21.917 816 HG2 ARG 24 HG2 ARG 24 15.156 18.975 21.409 817 HG3 ARG 24 HG3 ARG 24 15.011 19.446 19.716 818 HD2 ARG 24 HD2 ARG 24 17.090 18.245 19.987 819 HD3 ARG 24 HD3 ARG 24 17.470 19.937 19.670 820 HE ARG 24 HE ARG 24 18.387 20.149 21.813 821 HH11 ARG 24 HH11 ARG 24 16.793 17.003 21.787 822 HH12 ARG 24 HH12 ARG 24 17.436 16.656 23.398 823 HH21 ARG 24 HH21 ARG 24 19.094 19.621 23.653 824 HH22 ARG 24 HH22 ARG 24 18.816 18.011 24.373 825 H LEU 25 H LEU 25 14.446 21.792 23.795 826 HA LEU 25 HA LEU 25 13.426 19.287 24.804 827 HB2 LEU 25 HB2 LEU 25 14.221 21.864 26.198 828 HB3 LEU 25 HB3 LEU 25 13.859 20.345 27.029 829 HG LEU 25 HG LEU 25 16.042 20.485 24.903 830 HD11 LEU 25 HD11 LEU 25 16.521 22.180 26.656 831 HD12 LEU 25 HD12 LEU 25 16.428 20.898 27.890 832 HD13 LEU 25 HD13 LEU 25 17.675 20.849 26.622 833 HD21 LEU 25 HD21 LEU 25 15.306 18.231 25.553 834 HD22 LEU 25 HD22 LEU 25 16.934 18.551 26.144 835 HD23 LEU 25 HD23 LEU 25 15.557 18.625 27.269 836 H LYS 26 H LYS 26 11.986 22.590 24.744 837 HA LYS 26 HA LYS 26 9.548 21.931 26.106 838 HB2 LYS 26 HB2 LYS 26 10.240 23.986 23.970 839 HB3 LYS 26 HB3 LYS 26 8.599 23.769 24.562 840 HG2 LYS 26 HG2 LYS 26 9.396 24.167 26.908 841 HG3 LYS 26 HG3 LYS 26 10.993 24.582 26.268 842 HD2 LYS 26 HD2 LYS 26 10.101 26.464 25.016 843 HD3 LYS 26 HD3 LYS 26 8.441 25.908 25.291 844 HE2 LYS 26 HE2 LYS 26 8.816 26.195 27.775 845 HE3 LYS 26 HE3 LYS 26 10.308 27.057 27.376 846 HZ1 LYS 26 HZ1 LYS 26 7.677 27.770 26.226 847 HZ2 LYS 26 HZ2 LYS 26 8.179 28.422 27.592 848 HZ3 LYS 26 HZ3 LYS 26 9.046 28.719 26.232 849 H LYS 27 H LYS 27 10.319 21.689 22.602 850 HA LYS 27 HA LYS 27 7.812 20.610 21.771 851 HB2 LYS 27 HB2 LYS 27 10.652 20.254 20.732 852 HB3 LYS 27 HB3 LYS 27 9.268 19.493 19.952 853 HG2 LYS 27 HG2 LYS 27 8.240 21.659 19.492 854 HG3 LYS 27 HG3 LYS 27 9.541 22.502 20.349 855 HD2 LYS 27 HD2 LYS 27 11.205 21.552 18.737 856 HD3 LYS 27 HD3 LYS 27 9.900 20.707 17.907 857 HE2 LYS 27 HE2 LYS 27 10.411 22.620 16.613 858 HE3 LYS 27 HE3 LYS 27 8.843 22.931 17.369 859 HZ1 LYS 27 HZ1 LYS 27 10.548 24.761 17.399 860 HZ2 LYS 27 HZ2 LYS 27 9.858 24.444 18.860 861 HZ3 LYS 27 HZ3 LYS 27 11.411 23.909 18.483 862 H LEU 28 H LEU 28 10.516 18.933 23.382 863 HA LEU 28 HA LEU 28 9.334 16.302 22.961 864 HB2 LEU 28 HB2 LEU 28 11.565 17.289 24.766 865 HB3 LEU 28 HB3 LEU 28 11.053 15.609 24.708 866 HG LEU 28 HG LEU 28 11.982 17.113 22.225 867 HD11 LEU 28 HD11 LEU 28 13.800 17.034 23.903 868 HD12 LEU 28 HD12 LEU 28 13.595 15.268 24.017 869 HD13 LEU 28 HD13 LEU 28 14.140 16.008 22.500 870 HD21 LEU 28 HD21 LEU 28 12.398 14.782 21.384 871 HD22 LEU 28 HD22 LEU 28 11.639 14.154 22.851 872 HD23 LEU 28 HD23 LEU 28 10.682 15.098 21.698 873 H VAL 29 H VAL 29 9.250 18.647 25.653 874 HA VAL 29 HA VAL 29 7.655 16.976 27.418 875 HB VAL 29 HB VAL 29 8.166 19.977 27.378 876 HG11 VAL 29 HG11 VAL 29 6.144 19.609 28.710 877 HG12 VAL 29 HG12 VAL 29 6.932 18.281 29.589 878 HG13 VAL 29 HG13 VAL 29 7.497 19.955 29.780 879 HG21 VAL 29 HG21 VAL 29 9.731 19.477 29.233 880 HG22 VAL 29 HG22 VAL 29 9.391 17.740 29.054 881 HG23 VAL 29 HG23 VAL 29 10.200 18.642 27.756 882 H GLY 30 H GLY 30 6.820 19.253 24.863 883 HA2 GLY 30 HA2 GLY 30 4.697 19.637 23.883 884 HA3 GLY 30 HA3 GLY 30 3.889 18.840 25.243 885 H GLU 31 H GLU 31 6.409 21.151 25.912 886 HA GLU 31 HA GLU 31 4.552 22.927 27.334 887 HB2 GLU 31 HB2 GLU 31 6.668 22.184 28.343 888 HB3 GLU 31 HB3 GLU 31 7.566 22.906 27.022 889 HG2 GLU 31 HG2 GLU 31 7.664 24.266 29.068 890 HG3 GLU 31 HG3 GLU 31 6.917 25.151 27.750 891 H ARG 32 H ARG 32 4.562 25.275 27.017 892 HA ARG 32 HA ARG 32 4.310 25.818 24.102 893 HB2 ARG 32 HB2 ARG 32 2.693 26.993 26.367 894 HB3 ARG 32 HB3 ARG 32 2.352 27.084 24.636 895 HG2 ARG 32 HG2 ARG 32 2.143 24.528 24.692 896 HG3 ARG 32 HG3 ARG 32 2.129 24.646 26.458 897 HD2 ARG 32 HD2 ARG 32 0.215 26.020 24.536 898 HD3 ARG 32 HD3 ARG 32 -0.149 24.571 25.477 899 HE ARG 32 HE ARG 32 0.445 26.270 27.476 900 HH11 ARG 32 HH11 ARG 32 -1.601 26.808 24.676 901 HH12 ARG 32 HH12 ARG 32 -2.561 28.001 25.500 902 HH21 ARG 32 HH21 ARG 32 -0.913 27.763 28.499 903 HH22 ARG 32 HH22 ARG 32 -2.291 28.370 27.615
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