NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16013 | 1z9i | 6579 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 HT1 ARG 1 -4.331 -17.820 7.292 2 2H ARG 1 HT2 ARG 1 -5.434 -17.482 8.563 3 3H ARG 1 HT3 ARG 1 -4.235 -16.331 8.134 4 HA ARG 1 HA ARG 1 -5.242 -15.830 6.147 5 1HB ARG 1 HB2 ARG 1 -5.720 -18.337 5.776 6 2HB ARG 1 HB1 ARG 1 -7.246 -18.033 6.596 7 1HG ARG 1 HG2 ARG 1 -7.296 -16.057 4.772 8 2HG ARG 1 HG1 ARG 1 -6.359 -17.269 3.896 9 1HD ARG 1 HD2 ARG 1 -8.167 -18.516 3.526 10 2HD ARG 1 HD1 ARG 1 -8.640 -18.452 5.223 11 HE ARG 1 HE ARG 1 -9.665 -16.844 3.076 12 1HH1 ARG 1 1HH1 ARG 1 -9.158 -17.013 6.525 13 2HH1 ARG 1 2HH1 ARG 1 -10.432 -15.899 6.893 14 1HH2 ARG 1 1HH2 ARG 1 -11.340 -15.379 3.558 15 2HH2 ARG 1 2HH2 ARG 1 -11.671 -14.972 5.209 16 H ARG 2 HN ARG 2 -6.966 -14.383 5.962 17 HA ARG 2 HA ARG 2 -9.065 -14.317 7.930 18 1HB ARG 2 HB2 ARG 2 -6.688 -13.032 8.599 19 2HB ARG 2 HB1 ARG 2 -7.721 -11.738 8.010 20 1HG ARG 2 HG2 ARG 2 -9.038 -13.587 9.860 21 2HG ARG 2 HG1 ARG 2 -7.694 -12.680 10.556 22 1HD ARG 2 HD2 ARG 2 -9.159 -10.833 9.040 23 2HD ARG 2 HD1 ARG 2 -10.354 -11.798 9.905 24 HE ARG 2 HE ARG 2 -9.681 -10.814 11.855 25 1HH1 ARG 2 1HH1 ARG 2 -7.240 -10.262 9.423 26 2HH1 ARG 2 2HH1 ARG 2 -6.323 -9.175 10.411 27 1HH2 ARG 2 1HH2 ARG 2 -8.477 -9.385 13.156 28 2HH2 ARG 2 2HH2 ARG 2 -7.025 -8.677 12.531 29 H ARG 3 HN ARG 3 -7.316 -12.165 5.682 30 HA ARG 3 HA ARG 3 -9.919 -11.428 4.517 31 1HB ARG 3 HB2 ARG 3 -7.399 -9.827 4.162 32 2HB ARG 3 HB1 ARG 3 -9.068 -9.306 3.981 33 1HG ARG 3 HG2 ARG 3 -9.010 -10.040 6.601 34 2HG ARG 3 HG1 ARG 3 -7.376 -9.418 6.364 35 1HD ARG 3 HD2 ARG 3 -9.544 -7.789 5.211 36 2HD ARG 3 HD1 ARG 3 -9.514 -7.881 6.970 37 HE ARG 3 HE ARG 3 -7.511 -6.717 6.986 38 1HH1 ARG 3 1HH1 ARG 3 -8.447 -7.461 3.702 39 2HH1 ARG 3 2HH1 ARG 3 -7.300 -6.371 3.000 40 1HH2 ARG 3 1HH2 ARG 3 -6.005 -5.288 6.058 41 2HH2 ARG 3 2HH2 ARG 3 -5.914 -5.140 4.334 42 H HIS 4 HN HIS 4 -9.089 -10.298 2.165 43 HA HIS 4 HA HIS 4 -7.849 -12.565 0.745 44 1HB HIS 4 HB2 HIS 4 -10.211 -10.854 0.034 45 2HB HIS 4 HB1 HIS 4 -9.272 -11.639 -1.231 46 HD1 HIS 4 HD1 HIS 4 -11.064 -12.651 1.973 47 HD2 HIS 4 HD2 HIS 4 -10.154 -14.129 -1.802 48 HE1 HIS 4 HE1 HIS 4 -12.209 -14.886 1.832 49 HE2 HIS 4 HE2 HIS 4 -11.711 -15.724 -0.491 50 H ILE 5 HN ILE 5 -5.782 -11.618 0.870 51 HA ILE 5 HA ILE 5 -5.243 -9.735 -1.243 52 HB ILE 5 HB ILE 5 -3.912 -8.214 0.278 53 1HG1 ILE 5 2HG1 ILE 5 -5.712 -8.909 2.525 54 2HG1 ILE 5 1HG1 ILE 5 -4.409 -10.049 2.204 55 1HG2 ILE 5 1HG2 ILE 5 -5.759 -6.786 0.705 56 2HG2 ILE 5 2HG2 ILE 5 -6.878 -8.147 0.781 57 3HG2 ILE 5 3HG2 ILE 5 -6.143 -7.694 -0.757 58 1HD1 ILE 5 1HD1 ILE 5 -4.264 -7.209 3.090 59 2HD1 ILE 5 2HD1 ILE 5 -2.913 -7.929 2.215 60 3HD1 ILE 5 3HD1 ILE 5 -3.453 -8.635 3.738 61 H VAL 6 HN VAL 6 -3.330 -10.179 -2.151 62 HA VAL 6 HA VAL 6 -1.796 -12.383 -1.342 63 HB VAL 6 HB VAL 6 -1.849 -11.593 -3.662 64 1HG1 VAL 6 1HG1 VAL 6 -0.937 -9.593 -4.405 65 2HG1 VAL 6 2HG1 VAL 6 0.022 -9.371 -2.942 66 3HG1 VAL 6 3HG1 VAL 6 -1.724 -9.129 -2.896 67 1HG2 VAL 6 1HG2 VAL 6 0.226 -12.366 -4.147 68 2HG2 VAL 6 2HG2 VAL 6 0.219 -12.754 -2.426 69 3HG2 VAL 6 3HG2 VAL 6 1.018 -11.288 -2.997 70 H ARG 7 HN ARG 7 -0.700 -12.454 0.508 71 HA ARG 7 HA ARG 7 1.002 -10.150 1.208 72 1HB ARG 7 HB2 ARG 7 0.724 -10.757 3.562 73 2HB ARG 7 HB1 ARG 7 -0.829 -10.426 2.806 74 1HG ARG 7 HG2 ARG 7 -0.911 -12.996 2.450 75 2HG ARG 7 HG1 ARG 7 0.313 -13.027 3.720 76 1HD ARG 7 HD2 ARG 7 -1.228 -12.705 5.290 77 2HD ARG 7 HD1 ARG 7 -1.841 -11.275 4.461 78 HE ARG 7 HE ARG 7 -2.731 -13.742 3.294 79 1HH1 ARG 7 1HH1 ARG 7 -3.357 -11.377 5.782 80 2HH1 ARG 7 2HH1 ARG 7 -5.042 -11.758 5.895 81 1HH2 ARG 7 1HH2 ARG 7 -4.948 -14.244 3.440 82 2HH2 ARG 7 2HH2 ARG 7 -5.946 -13.385 4.566 83 H LYS 8 HN LYS 8 0.720 -13.672 1.185 84 HA LYS 8 HA LYS 8 3.185 -14.314 2.310 85 1HB LYS 8 HB2 LYS 8 1.385 -15.718 0.365 86 2HB LYS 8 HB1 LYS 8 2.939 -16.415 0.803 87 1HG LYS 8 HG2 LYS 8 2.310 -16.600 3.083 88 2HG LYS 8 HG1 LYS 8 0.858 -15.630 2.825 89 1HD LYS 8 HD2 LYS 8 1.403 -18.343 1.620 90 2HD LYS 8 HD1 LYS 8 0.336 -18.020 2.988 91 1HE LYS 8 HE2 LYS 8 -0.818 -16.367 1.335 92 2HE LYS 8 HE1 LYS 8 -0.022 -17.341 0.100 93 1HZ LYS 8 HZ1 LYS 8 -1.167 -19.261 0.811 94 2HZ LYS 8 HZ2 LYS 8 -2.333 -18.040 0.707 95 3HZ LYS 8 HZ3 LYS 8 -1.734 -18.510 2.218 96 H ARG 9 HN ARG 9 2.383 -14.136 -1.178 97 HA ARG 9 HA ARG 9 5.146 -14.300 -1.918 98 1HB ARG 9 HB2 ARG 9 2.600 -13.833 -3.449 99 2HB ARG 9 HB1 ARG 9 4.173 -13.730 -4.228 100 1HG ARG 9 HG2 ARG 9 3.452 -15.906 -4.646 101 2HG ARG 9 HG1 ARG 9 4.590 -16.072 -3.307 102 1HD ARG 9 HD2 ARG 9 2.847 -16.338 -1.734 103 2HD ARG 9 HD1 ARG 9 1.626 -15.798 -2.885 104 HE ARG 9 HE ARG 9 3.022 -18.176 -3.702 105 1HH1 ARG 9 1HH1 ARG 9 0.338 -16.923 -1.856 106 2HH1 ARG 9 2HH1 ARG 9 -0.574 -18.392 -1.951 107 1HH2 ARG 9 1HH2 ARG 9 1.823 -20.109 -3.827 108 2HH2 ARG 9 2HH2 ARG 9 0.269 -20.201 -3.069 109 H THR 10 HN THR 10 3.043 -11.730 -1.057 110 HA THR 10 HA THR 10 4.256 -9.670 -2.584 111 HB THR 10 HB THR 10 2.005 -9.847 -1.051 112 HG1 THR 10 HG1 THR 10 2.537 -8.356 -2.771 113 1HG2 THR 10 1HG2 THR 10 3.910 -8.075 0.463 114 2HG2 THR 10 2HG2 THR 10 3.090 -9.513 1.068 115 3HG2 THR 10 3HG2 THR 10 2.156 -8.077 0.652 116 H LEU 11 HN LEU 11 4.629 -10.643 0.830 117 HA LEU 11 HA LEU 11 6.521 -8.790 1.597 118 1HB LEU 11 HB2 LEU 11 7.328 -10.566 3.205 119 2HB LEU 11 HB1 LEU 11 5.625 -10.162 3.282 120 HG LEU 11 HG LEU 11 5.154 -12.198 1.897 121 1HD1 LEU 11 1HD1 LEU 11 8.085 -12.320 1.975 122 2HD1 LEU 11 2HD1 LEU 11 6.949 -12.993 0.806 123 3HD1 LEU 11 3HD1 LEU 11 7.266 -13.844 2.317 124 1HD2 LEU 11 1HD2 LEU 11 4.912 -13.451 3.764 125 2HD2 LEU 11 2HD2 LEU 11 5.374 -11.943 4.554 126 3HD2 LEU 11 3HD2 LEU 11 6.579 -13.201 4.280 127 H ARG 12 HN ARG 12 6.873 -11.505 -0.516 128 HA ARG 12 HA ARG 12 9.645 -11.869 -0.326 129 1HB ARG 12 HB2 ARG 12 7.496 -12.780 -2.023 130 2HB ARG 12 HB1 ARG 12 8.912 -12.399 -2.993 131 1HG ARG 12 HG2 ARG 12 10.013 -14.202 -2.287 132 2HG ARG 12 HG1 ARG 12 9.561 -13.926 -0.604 133 1HD ARG 12 HD2 ARG 12 7.330 -14.794 -2.272 134 2HD ARG 12 HD1 ARG 12 8.647 -15.965 -2.207 135 HE ARG 12 HE ARG 12 6.865 -15.235 -0.071 136 1HH1 ARG 12 1HH1 ARG 12 9.989 -16.574 -0.866 137 2HH1 ARG 12 2HH1 ARG 12 10.138 -17.436 0.629 138 1HH2 ARG 12 1HH2 ARG 12 7.061 -16.369 1.895 139 2HH2 ARG 12 2HH2 ARG 12 8.477 -17.320 2.195 140 H ARG 13 HN ARG 13 7.669 -9.624 -2.154 141 HA ARG 13 HA ARG 13 9.867 -8.574 -3.679 142 1HB ARG 13 HB2 ARG 13 8.312 -7.131 -4.668 143 2HB ARG 13 HB1 ARG 13 7.360 -8.561 -4.300 144 1HG ARG 13 HG2 ARG 13 7.032 -7.058 -2.040 145 2HG ARG 13 HG1 ARG 13 7.113 -5.830 -3.301 146 1HD ARG 13 HD2 ARG 13 5.471 -7.989 -4.200 147 2HD ARG 13 HD1 ARG 13 4.930 -7.481 -2.600 148 HE ARG 13 HE ARG 13 4.736 -5.993 -5.055 149 1HH1 ARG 13 1HH1 ARG 13 4.815 -5.783 -1.572 150 2HH1 ARG 13 2HH1 ARG 13 3.979 -4.268 -1.519 151 1HH2 ARG 13 1HH2 ARG 13 3.635 -4.000 -4.987 152 2HH2 ARG 13 2HH2 ARG 13 3.309 -3.256 -3.458 153 H LEU 14 HN LEU 14 8.235 -7.861 -0.701 154 HA LEU 14 HA LEU 14 9.387 -5.299 -0.238 155 1HB LEU 14 HB2 LEU 14 7.515 -6.991 1.041 156 2HB LEU 14 HB1 LEU 14 8.768 -6.650 2.219 157 HG LEU 14 HG LEU 14 7.887 -4.255 0.804 158 1HD1 LEU 14 1HD1 LEU 14 5.686 -4.104 1.501 159 2HD1 LEU 14 2HD1 LEU 14 5.857 -5.414 2.669 160 3HD1 LEU 14 3HD1 LEU 14 5.799 -5.773 0.943 161 1HD2 LEU 14 1HD2 LEU 14 9.163 -4.803 3.118 162 2HD2 LEU 14 2HD2 LEU 14 7.520 -4.556 3.709 163 3HD2 LEU 14 3HD2 LEU 14 8.327 -3.286 2.789 164 H LEU 15 HN LEU 15 10.131 -8.536 1.058 165 HA LEU 15 HA LEU 15 12.386 -7.774 2.542 166 1HB LEU 15 HB2 LEU 15 11.888 -10.462 1.270 167 2HB LEU 15 HB1 LEU 15 12.918 -10.126 2.648 168 HG LEU 15 HG LEU 15 10.043 -9.408 2.884 169 1HD1 LEU 15 1HD1 LEU 15 11.015 -12.242 3.200 170 2HD1 LEU 15 2HD1 LEU 15 10.078 -11.660 1.823 171 3HD1 LEU 15 3HD1 LEU 15 9.375 -11.637 3.440 172 1HD2 LEU 15 1HD2 LEU 15 11.771 -10.817 4.882 173 2HD2 LEU 15 2HD2 LEU 15 10.396 -9.747 5.153 174 3HD2 LEU 15 3HD2 LEU 15 11.936 -9.082 4.609 175 H GLN 16 HN GLN 16 11.946 -8.449 -0.834 176 HA GLN 16 HA GLN 16 14.802 -8.629 -1.342 177 1HB GLN 16 HB2 GLN 16 12.322 -9.030 -2.946 178 2HB GLN 16 HB1 GLN 16 13.802 -8.618 -3.801 179 1HG GLN 16 HG2 GLN 16 13.979 -10.792 -1.810 180 2HG GLN 16 HG1 GLN 16 13.062 -11.125 -3.279 181 1HE2 GLN 16 1HE2 GLN 16 14.160 -11.818 -4.970 182 2HE2 GLN 16 2HE2 GLN 16 15.865 -11.666 -5.205 183 H GLU 17 HN GLU 17 12.340 -6.240 -1.279 184 HA GLU 17 HA GLU 17 13.746 -4.422 -3.052 185 1HB GLU 17 HB2 GLU 17 11.118 -4.450 -1.669 186 2HB GLU 17 HB1 GLU 17 11.819 -2.877 -2.021 187 1HG GLU 17 HG2 GLU 17 11.786 -3.254 -4.332 188 2HG GLU 17 HG1 GLU 17 11.535 -4.987 -4.131 189 H ARG 18 HN ARG 18 14.636 -5.383 -0.197 190 HA ARG 18 HA ARG 18 14.777 -2.950 1.304 191 1HB ARG 18 HB2 ARG 18 16.144 -4.203 2.864 192 2HB ARG 18 HB1 ARG 18 14.754 -5.167 2.385 193 1HG ARG 18 HG2 ARG 18 16.062 -6.574 1.031 194 2HG ARG 18 HG1 ARG 18 17.434 -5.465 1.067 195 1HD ARG 18 HD2 ARG 18 18.205 -6.328 2.977 196 2HD ARG 18 HD1 ARG 18 16.610 -6.299 3.726 197 HE ARG 18 HE ARG 18 16.334 -8.505 3.162 198 1HH1 ARG 18 1HH1 ARG 18 19.075 -7.217 1.427 199 2HH1 ARG 18 2HH1 ARG 18 19.590 -8.764 0.844 200 1HH2 ARG 18 1HH2 ARG 18 17.010 -10.539 2.396 201 2HH2 ARG 18 2HH2 ARG 18 18.418 -10.650 1.393 202 H GLU 19 HN GLU 19 16.510 -4.158 -1.336 203 HA GLU 19 HA GLU 19 18.813 -2.435 -0.703 204 1HB GLU 19 HB2 GLU 19 19.051 -5.010 -1.165 205 2HB GLU 19 HB1 GLU 19 18.904 -4.520 -2.848 206 1HG GLU 19 HG2 GLU 19 20.823 -2.941 -1.314 207 2HG GLU 19 HG1 GLU 19 21.227 -4.652 -1.436 208 H LEU 20 HN LEU 20 16.194 -1.676 -1.910 209 HA LEU 20 HA LEU 20 17.291 -0.177 -4.132 210 1HB LEU 20 HB2 LEU 20 15.342 -2.386 -4.464 211 2HB LEU 20 HB1 LEU 20 15.028 -0.920 -5.373 212 HG LEU 20 HG LEU 20 17.777 -2.015 -5.540 213 1HD1 LEU 20 1HD1 LEU 20 16.752 -3.440 -7.514 214 2HD1 LEU 20 2HD1 LEU 20 15.352 -3.471 -6.442 215 3HD1 LEU 20 3HD1 LEU 20 16.905 -4.092 -5.883 216 1HD2 LEU 20 1HD2 LEU 20 15.877 -0.449 -7.182 217 2HD2 LEU 20 2HD2 LEU 20 17.034 -1.467 -8.039 218 3HD2 LEU 20 3HD2 LEU 20 17.607 -0.226 -6.924 219 H VAL 21 HN VAL 21 13.928 -0.966 -3.317 220 HA VAL 21 HA VAL 21 13.493 1.882 -2.734 221 HB VAL 21 HB VAL 21 11.015 1.156 -3.026 222 1HG1 VAL 21 1HG1 VAL 21 11.634 2.651 -4.614 223 2HG1 VAL 21 2HG1 VAL 21 11.497 1.228 -5.647 224 3HG1 VAL 21 3HG1 VAL 21 13.079 1.744 -5.062 225 1HG2 VAL 21 1HG2 VAL 21 10.509 -0.798 -4.073 226 2HG2 VAL 21 2HG2 VAL 21 11.969 -1.318 -3.232 227 3HG2 VAL 21 3HG2 VAL 21 12.048 -0.863 -4.933 228 H GLU 22 HN GLU 22 13.972 1.958 -0.565 229 HA GLU 22 HA GLU 22 11.977 1.368 1.272 230 1HB GLU 22 HB2 GLU 22 13.786 -0.861 0.744 231 2HB GLU 22 HB1 GLU 22 13.755 -0.407 2.443 232 1HG GLU 22 HG2 GLU 22 11.087 -0.496 1.385 233 2HG GLU 22 HG1 GLU 22 11.930 -2.011 1.067 234 HA PRO 23 HA PRO 23 16.200 2.432 3.610 235 1HB PRO 23 HB2 PRO 23 17.718 3.237 1.176 236 2HB PRO 23 HB1 PRO 23 18.291 2.456 2.655 237 1HG PRO 23 HG2 PRO 23 18.004 1.057 0.410 238 2HG PRO 23 HG1 PRO 23 17.573 0.355 1.981 239 1HD PRO 23 HD2 PRO 23 15.801 1.423 -0.171 240 2HD PRO 23 HD1 PRO 23 15.555 0.038 0.912 241 H LEU 24 HN LEU 24 16.048 4.228 0.523 242 HA LEU 24 HA LEU 24 15.502 6.667 2.079 243 1HB LEU 24 HB2 LEU 24 16.369 7.903 0.133 244 2HB LEU 24 HB1 LEU 24 17.558 6.820 0.831 245 HG LEU 24 HG LEU 24 15.948 5.826 -1.469 246 1HD1 LEU 24 1HD1 LEU 24 17.921 8.045 -1.572 247 2HD1 LEU 24 2HD1 LEU 24 16.486 7.758 -2.556 248 3HD1 LEU 24 3HD1 LEU 24 17.957 6.830 -2.850 249 1HD2 LEU 24 1HD2 LEU 24 18.544 5.136 -1.861 250 2HD2 LEU 24 2HD2 LEU 24 17.372 4.163 -0.973 251 3HD2 LEU 24 3HD2 LEU 24 18.475 5.228 -0.101 252 H THR 25 HN THR 25 14.446 4.694 -0.616 253 HA THR 25 HA THR 25 12.243 6.532 -1.180 254 HB THR 25 HB THR 25 11.851 4.553 -2.948 255 HG1 THR 25 HG1 THR 25 13.815 3.685 -3.567 256 1HG2 THR 25 1HG2 THR 25 14.129 6.385 -3.530 257 2HG2 THR 25 2HG2 THR 25 12.505 7.034 -3.300 258 3HG2 THR 25 3HG2 THR 25 12.812 5.858 -4.578 259 HA PRO 26 HA PRO 26 9.803 4.022 1.687 260 1HB PRO 26 HB2 PRO 26 7.660 5.793 0.653 261 2HB PRO 26 HB1 PRO 26 8.135 5.456 2.320 262 1HG PRO 26 HG2 PRO 26 8.725 7.790 1.172 263 2HG PRO 26 HG1 PRO 26 9.861 7.000 2.281 264 1HD PRO 26 HD2 PRO 26 9.911 7.136 -0.707 265 2HD PRO 26 HD1 PRO 26 11.255 7.238 0.450 266 H SER 27 HN SER 27 8.054 5.151 -1.216 267 HA SER 27 HA SER 27 7.345 2.342 -1.757 268 1HB SER 27 HB2 SER 27 5.698 4.842 -1.866 269 2HB SER 27 HB1 SER 27 5.313 3.508 -2.953 270 HG SER 27 HG SER 27 5.278 3.563 -0.134 271 H GLY 28 HN GLY 28 8.110 5.491 -3.171 272 1HA GLY 28 HA2 GLY 28 9.386 4.207 -5.412 273 2HA GLY 28 HA1 GLY 28 7.904 5.047 -5.846 274 H GLU 29 HN GLU 29 8.045 7.140 -6.336 275 HA GLU 29 HA GLU 29 10.568 8.442 -6.369 276 1HB GLU 29 HB2 GLU 29 8.071 8.815 -7.589 277 2HB GLU 29 HB1 GLU 29 8.344 10.274 -6.646 278 1HG GLU 29 HG2 GLU 29 10.275 9.129 -8.651 279 2HG GLU 29 HG1 GLU 29 9.148 10.448 -8.965 280 H ALA 30 HN ALA 30 7.744 8.638 -4.274 281 HA ALA 30 HA ALA 30 9.145 9.491 -2.027 282 1HB ALA 30 HB1 ALA 30 8.280 11.671 -3.817 283 2HB ALA 30 HB2 ALA 30 9.594 11.619 -2.643 284 3HB ALA 30 HB3 ALA 30 7.937 11.890 -2.101 285 HA PRO 31 HA PRO 31 5.292 8.577 -0.096 286 1HB PRO 31 HB2 PRO 31 5.213 10.276 2.024 287 2HB PRO 31 HB1 PRO 31 6.290 8.876 1.953 288 1HG PRO 31 HG2 PRO 31 6.886 11.756 1.389 289 2HG PRO 31 HG1 PRO 31 7.848 10.569 2.290 290 1HD PRO 31 HD2 PRO 31 8.401 11.243 -0.271 291 2HD PRO 31 HD1 PRO 31 8.700 9.615 0.371 292 H ASN 32 HN ASN 32 5.895 11.997 -0.662 293 HA ASN 32 HA ASN 32 3.501 13.196 -0.252 294 1HB ASN 32 HB2 ASN 32 5.191 13.668 -2.709 295 2HB ASN 32 HB1 ASN 32 4.098 14.814 -1.939 296 1HD2 ASN 32 1HD2 ASN 32 4.694 14.592 0.676 297 2HD2 ASN 32 2HD2 ASN 32 6.332 15.056 0.968 298 H GLN 33 HN GLN 33 4.345 11.104 -2.960 299 HA GLN 33 HA GLN 33 1.827 11.572 -4.293 300 1HB GLN 33 HB2 GLN 33 3.624 9.299 -5.000 301 2HB GLN 33 HB1 GLN 33 2.619 10.298 -6.041 302 1HG GLN 33 HG2 GLN 33 4.351 12.149 -5.137 303 2HG GLN 33 HG1 GLN 33 5.374 10.715 -5.095 304 1HE2 GLN 33 1HE2 GLN 33 4.727 13.257 -6.908 305 2HE2 GLN 33 2HE2 GLN 33 4.949 12.607 -8.493 306 H ALA 34 HN ALA 34 3.118 9.323 -2.005 307 HA ALA 34 HA ALA 34 1.312 7.189 -2.407 308 1HB ALA 34 HB1 ALA 34 2.745 8.006 0.124 309 2HB ALA 34 HB2 ALA 34 3.394 6.943 -1.125 310 3HB ALA 34 HB3 ALA 34 1.989 6.443 -0.184 311 H LEU 35 HN LEU 35 1.346 9.925 -0.145 312 HA LEU 35 HA LEU 35 -1.235 9.367 0.924 313 1HB LEU 35 HB2 LEU 35 -0.319 12.171 0.955 314 2HB LEU 35 HB1 LEU 35 -0.929 11.176 2.263 315 HG LEU 35 HG LEU 35 1.488 10.024 1.809 316 1HD1 LEU 35 1HD1 LEU 35 3.124 11.618 1.321 317 2HD1 LEU 35 2HD1 LEU 35 2.016 12.966 1.576 318 3HD1 LEU 35 3HD1 LEU 35 1.845 11.944 0.147 319 1HD2 LEU 35 1HD2 LEU 35 2.246 11.488 3.757 320 2HD2 LEU 35 2HD2 LEU 35 0.797 10.513 4.002 321 3HD2 LEU 35 3HD2 LEU 35 0.652 12.237 3.662 322 H LEU 36 HN LEU 36 0.047 11.200 -1.741 323 HA LEU 36 HA LEU 36 -2.244 12.689 -2.359 324 1HB LEU 36 HB2 LEU 36 0.299 12.061 -3.662 325 2HB LEU 36 HB1 LEU 36 -1.014 12.376 -4.779 326 HG LEU 36 HG LEU 36 -0.127 14.245 -2.580 327 1HD1 LEU 36 1HD1 LEU 36 1.618 14.279 -4.125 328 2HD1 LEU 36 2HD1 LEU 36 0.590 15.626 -4.614 329 3HD1 LEU 36 3HD1 LEU 36 0.529 14.102 -5.501 330 1HD2 LEU 36 1HD2 LEU 36 -2.573 14.230 -3.488 331 2HD2 LEU 36 2HD2 LEU 36 -1.850 15.005 -4.897 332 3HD2 LEU 36 3HD2 LEU 36 -1.707 15.755 -3.308 333 H ARG 37 HN ARG 37 -1.084 9.573 -3.730 334 HA ARG 37 HA ARG 37 -3.415 9.251 -5.329 335 1HB ARG 37 HB2 ARG 37 -2.592 7.000 -5.751 336 2HB ARG 37 HB1 ARG 37 -1.269 8.152 -5.868 337 1HG ARG 37 HG2 ARG 37 -0.699 7.547 -3.483 338 2HG ARG 37 HG1 ARG 37 -1.847 6.217 -3.645 339 1HD ARG 37 HD2 ARG 37 -0.022 6.323 -5.887 340 2HD ARG 37 HD1 ARG 37 0.845 6.210 -4.356 341 HE ARG 37 HE ARG 37 -0.780 4.182 -5.586 342 1HH1 ARG 37 1HH1 ARG 37 0.549 5.352 -2.578 343 2HH1 ARG 37 2HH1 ARG 37 0.474 3.807 -1.800 344 1HH2 ARG 37 1HH2 ARG 37 -0.879 2.149 -4.564 345 2HH2 ARG 37 2HH2 ARG 37 -0.336 1.989 -2.927 346 H ILE 38 HN ILE 38 -2.594 8.458 -2.045 347 HA ILE 38 HA ILE 38 -4.799 6.635 -1.735 348 HB ILE 38 HB ILE 38 -3.093 8.032 0.337 349 1HG1 ILE 38 2HG1 ILE 38 -3.058 5.100 -0.293 350 2HG1 ILE 38 1HG1 ILE 38 -2.161 6.223 -1.309 351 1HG2 ILE 38 1HG2 ILE 38 -5.478 6.318 0.580 352 2HG2 ILE 38 2HG2 ILE 38 -4.821 7.516 1.694 353 3HG2 ILE 38 3HG2 ILE 38 -4.123 5.898 1.628 354 1HD1 ILE 38 1HD1 ILE 38 -1.511 5.160 1.292 355 2HD1 ILE 38 2HD1 ILE 38 -1.452 6.922 1.276 356 3HD1 ILE 38 3HD1 ILE 38 -0.488 5.997 0.126 357 H LEU 39 HN LEU 39 -4.121 9.969 -0.687 358 HA LEU 39 HA LEU 39 -6.762 10.370 0.302 359 1HB LEU 39 HB2 LEU 39 -4.816 11.547 1.206 360 2HB LEU 39 HB1 LEU 39 -4.594 12.366 -0.328 361 HG LEU 39 HG LEU 39 -7.151 13.073 0.231 362 1HD1 LEU 39 1HD1 LEU 39 -7.557 12.349 2.336 363 2HD1 LEU 39 2HD1 LEU 39 -6.737 13.854 2.749 364 3HD1 LEU 39 3HD1 LEU 39 -5.850 12.331 2.779 365 1HD2 LEU 39 1HD2 LEU 39 -5.108 14.747 1.540 366 2HD2 LEU 39 2HD2 LEU 39 -6.305 15.162 0.313 367 3HD2 LEU 39 3HD2 LEU 39 -4.812 14.346 -0.151 368 H LYS 40 HN LYS 40 -5.292 10.776 -2.854 369 HA LYS 40 HA LYS 40 -7.513 12.484 -3.686 370 1HB LYS 40 HB2 LYS 40 -6.261 13.169 -5.462 371 2HB LYS 40 HB1 LYS 40 -4.972 12.709 -4.365 372 1HG LYS 40 HG2 LYS 40 -5.358 10.375 -5.652 373 2HG LYS 40 HG1 LYS 40 -5.824 11.505 -6.916 374 1HD LYS 40 HD2 LYS 40 -3.180 10.855 -5.853 375 2HD LYS 40 HD1 LYS 40 -3.635 11.536 -7.408 376 1HE LYS 40 HE2 LYS 40 -4.076 13.675 -5.881 377 2HE LYS 40 HE1 LYS 40 -2.861 12.880 -4.881 378 1HZ LYS 40 HZ1 LYS 40 -1.975 12.808 -7.530 379 2HZ LYS 40 HZ2 LYS 40 -1.313 13.670 -6.234 380 3HZ LYS 40 HZ3 LYS 40 -2.484 14.391 -7.217 381 H GLU 41 HN GLU 41 -6.528 9.165 -3.911 382 HA GLU 41 HA GLU 41 -8.648 8.672 -5.895 383 1HB GLU 41 HB2 GLU 41 -6.668 6.633 -4.910 384 2HB GLU 41 HB1 GLU 41 -7.623 6.597 -6.386 385 1HG GLU 41 HG2 GLU 41 -5.503 8.639 -5.877 386 2HG GLU 41 HG1 GLU 41 -5.165 7.080 -6.617 387 H THR 42 HN THR 42 -8.199 8.802 -2.675 388 HA THR 42 HA THR 42 -10.433 6.988 -2.190 389 HB THR 42 HB THR 42 -8.080 7.187 -0.334 390 HG1 THR 42 HG1 THR 42 -8.569 5.249 -2.342 391 1HG2 THR 42 1HG2 THR 42 -9.158 5.791 0.980 392 2HG2 THR 42 2HG2 THR 42 -9.525 4.711 -0.366 393 3HG2 THR 42 3HG2 THR 42 -10.585 6.076 -0.015 394 H GLU 43 HN GLU 43 -9.600 10.025 -2.272 395 HA GLU 43 HA GLU 43 -9.822 11.282 0.125 396 1HB GLU 43 HB2 GLU 43 -11.432 12.893 -1.371 397 2HB GLU 43 HB1 GLU 43 -9.680 12.919 -1.427 398 1HG GLU 43 HG2 GLU 43 -9.606 11.728 -3.426 399 2HG GLU 43 HG1 GLU 43 -11.257 11.137 -3.241 400 H PHE 44 HN PHE 44 -12.648 10.610 -1.943 401 HA PHE 44 HA PHE 44 -14.371 10.861 0.390 402 1HB PHE 44 HB2 PHE 44 -14.658 11.289 -2.472 403 2HB PHE 44 HB1 PHE 44 -15.987 10.344 -1.809 404 HD1 PHE 44 HD1 PHE 44 -14.135 13.527 -1.462 405 HD2 PHE 44 HD2 PHE 44 -17.678 11.358 -0.542 406 HE1 PHE 44 HE1 PHE 44 -15.176 15.592 -0.624 407 HE2 PHE 44 HE2 PHE 44 -18.727 13.419 0.298 408 HZ PHE 44 HZ PHE 44 -17.476 15.540 0.258 409 H LYS 45 HN LYS 45 -13.133 8.451 -1.796 410 HA LYS 45 HA LYS 45 -15.026 6.461 -1.601 411 1HB LYS 45 HB2 LYS 45 -12.075 5.878 -1.521 412 2HB LYS 45 HB1 LYS 45 -13.352 4.946 -2.292 413 1HG LYS 45 HG2 LYS 45 -13.454 7.470 -3.487 414 2HG LYS 45 HG1 LYS 45 -11.741 7.079 -3.361 415 1HD LYS 45 HD2 LYS 45 -12.271 4.858 -4.401 416 2HD LYS 45 HD1 LYS 45 -13.903 5.464 -4.698 417 1HE LYS 45 HE2 LYS 45 -12.393 7.490 -5.697 418 2HE LYS 45 HE1 LYS 45 -11.371 6.097 -6.050 419 1HZ LYS 45 HZ1 LYS 45 -12.755 6.337 -7.902 420 2HZ LYS 45 HZ2 LYS 45 -14.136 6.613 -6.966 421 3HZ LYS 45 HZ3 LYS 45 -13.452 5.067 -7.028 422 H LYS 46 HN LYS 46 -12.155 6.735 0.506 423 HA LYS 46 HA LYS 46 -12.946 4.654 2.227 424 1HB LYS 46 HB2 LYS 46 -11.205 5.555 3.771 425 2HB LYS 46 HB1 LYS 46 -10.644 5.244 2.137 426 1HG LYS 46 HG2 LYS 46 -9.844 7.305 2.077 427 2HG LYS 46 HG1 LYS 46 -11.498 7.909 2.151 428 1HD LYS 46 HD2 LYS 46 -10.322 8.952 3.925 429 2HD LYS 46 HD1 LYS 46 -11.335 7.707 4.661 430 1HE LYS 46 HE2 LYS 46 -9.554 6.399 5.230 431 2HE LYS 46 HE1 LYS 46 -8.574 6.955 3.874 432 1HZ LYS 46 HZ1 LYS 46 -9.212 8.926 5.922 433 2HZ LYS 46 HZ2 LYS 46 -7.785 8.703 5.041 434 3HZ LYS 46 HZ3 LYS 46 -8.127 7.705 6.363 435 H ILE 47 HN ILE 47 -13.338 8.183 2.575 436 HA ILE 47 HA ILE 47 -14.359 8.062 5.195 437 HB ILE 47 HB ILE 47 -15.304 10.328 4.757 438 1HG1 ILE 47 2HG1 ILE 47 -14.142 11.191 2.462 439 2HG1 ILE 47 1HG1 ILE 47 -14.600 9.558 1.995 440 1HG2 ILE 47 1HG2 ILE 47 -12.991 11.335 4.230 441 2HG2 ILE 47 2HG2 ILE 47 -12.439 9.660 4.216 442 3HG2 ILE 47 3HG2 ILE 47 -13.173 10.334 5.671 443 1HD1 ILE 47 1HD1 ILE 47 -16.817 10.671 3.317 444 2HD1 ILE 47 2HD1 ILE 47 -16.647 10.287 1.604 445 3HD1 ILE 47 3HD1 ILE 47 -16.216 11.892 2.195 446 H LYS 48 HN LYS 48 -16.143 8.400 2.102 447 HA LYS 48 HA LYS 48 -18.701 8.391 3.145 448 1HB LYS 48 HB2 LYS 48 -19.481 7.772 0.985 449 2HB LYS 48 HB1 LYS 48 -18.039 8.744 0.734 450 1HG LYS 48 HG2 LYS 48 -16.732 6.709 0.373 451 2HG LYS 48 HG1 LYS 48 -18.185 5.738 0.616 452 1HD LYS 48 HD2 LYS 48 -19.226 6.944 -1.302 453 2HD LYS 48 HD1 LYS 48 -17.674 7.736 -1.585 454 1HE LYS 48 HE2 LYS 48 -16.699 5.374 -1.701 455 2HE LYS 48 HE1 LYS 48 -18.369 4.825 -1.839 456 1HZ LYS 48 HZ1 LYS 48 -18.545 5.609 -3.927 457 2HZ LYS 48 HZ2 LYS 48 -16.860 5.469 -3.927 458 3HZ LYS 48 HZ3 LYS 48 -17.583 6.970 -3.634 459 H VAL 49 HN VAL 49 -16.517 5.715 2.585 460 HA VAL 49 HA VAL 49 -18.475 3.687 3.165 461 HB VAL 49 HB VAL 49 -15.467 3.447 3.023 462 1HG1 VAL 49 1HG1 VAL 49 -15.962 1.443 3.937 463 2HG1 VAL 49 2HG1 VAL 49 -16.428 1.037 2.286 464 3HG1 VAL 49 3HG1 VAL 49 -17.656 1.521 3.455 465 1HG2 VAL 49 1HG2 VAL 49 -17.281 2.576 0.826 466 2HG2 VAL 49 2HG2 VAL 49 -15.597 3.094 0.761 467 3HG2 VAL 49 3HG2 VAL 49 -16.879 4.287 0.970 468 H LEU 50 HN LEU 50 -15.871 5.309 4.910 469 HA LEU 50 HA LEU 50 -16.078 3.636 7.226 470 1HB LEU 50 HB2 LEU 50 -14.745 6.304 6.781 471 2HB LEU 50 HB1 LEU 50 -14.635 5.395 8.277 472 HG LEU 50 HG LEU 50 -13.808 4.116 5.700 473 1HD1 LEU 50 1HD1 LEU 50 -11.760 5.118 5.629 474 2HD1 LEU 50 2HD1 LEU 50 -11.774 5.526 7.344 475 3HD1 LEU 50 3HD1 LEU 50 -12.733 6.472 6.205 476 1HD2 LEU 50 1HD2 LEU 50 -12.782 2.580 7.018 477 2HD2 LEU 50 2HD2 LEU 50 -14.036 3.093 8.148 478 3HD2 LEU 50 3HD2 LEU 50 -12.405 3.751 8.282 479 H GLY 51 HN GLY 51 -17.550 6.611 6.155 480 1HA GLY 51 HA2 GLY 51 -18.759 7.036 8.790 481 2HA GLY 51 HA1 GLY 51 -18.795 8.167 7.445 482 H SER 52 HN SER 52 -19.515 4.797 6.991 483 HA SER 52 HA SER 52 -21.968 5.275 5.735 484 1HB SER 52 HB2 SER 52 -22.190 2.942 5.571 485 2HB SER 52 HB1 SER 52 -20.444 3.184 5.645 486 HG SER 52 HG SER 52 -20.551 2.690 7.874 487 H GLY 53 HN GLY 53 -21.164 4.586 9.083 488 1HA GLY 53 HA2 GLY 53 -24.033 4.791 9.760 489 2HA GLY 53 HA1 GLY 53 -22.854 3.905 10.715 Start of MODEL 2 1 1H ARG 1 HT1 ARG 1 22.058 6.722 28.547 2 2H ARG 1 HT2 ARG 1 20.501 6.298 29.134 3 3H ARG 1 HT3 ARG 1 20.735 6.614 27.463 4 HA ARG 1 HA ARG 1 22.115 4.457 28.895 5 1HB ARG 1 HB2 ARG 1 19.330 4.708 28.107 6 2HB ARG 1 HB1 ARG 1 20.108 3.363 27.286 7 1HG ARG 1 HG2 ARG 1 19.313 2.355 29.187 8 2HG ARG 1 HG1 ARG 1 20.964 2.755 29.666 9 1HD ARG 1 HD2 ARG 1 19.505 5.023 30.306 10 2HD ARG 1 HD1 ARG 1 18.437 3.689 30.742 11 HE ARG 1 HE ARG 1 20.992 3.135 31.737 12 1HH1 ARG 1 1HH1 ARG 1 18.381 5.394 32.251 13 2HH1 ARG 1 2HH1 ARG 1 18.758 5.642 33.923 14 1HH2 ARG 1 1HH2 ARG 1 21.489 3.459 33.937 15 2HH2 ARG 1 2HH2 ARG 1 20.522 4.544 34.880 16 H ARG 2 HN ARG 2 20.587 5.341 25.789 17 HA ARG 2 HA ARG 2 22.906 4.174 24.412 18 1HB ARG 2 HB2 ARG 2 20.043 4.205 23.881 19 2HB ARG 2 HB1 ARG 2 20.979 4.723 22.486 20 1HG ARG 2 HG2 ARG 2 22.345 2.647 22.731 21 2HG ARG 2 HG1 ARG 2 21.208 2.120 23.974 22 1HD ARG 2 HD2 ARG 2 20.004 1.226 22.328 23 2HD ARG 2 HD1 ARG 2 19.586 2.873 21.861 24 HE ARG 2 HE ARG 2 21.964 2.420 20.621 25 1HH1 ARG 2 1HH1 ARG 2 18.897 0.756 20.675 26 2HH1 ARG 2 2HH1 ARG 2 19.066 0.132 19.069 27 1HH2 ARG 2 1HH2 ARG 2 22.188 1.601 18.508 28 2HH2 ARG 2 2HH2 ARG 2 20.934 0.611 17.838 29 H ARG 3 HN ARG 3 20.585 6.822 23.817 30 HA ARG 3 HA ARG 3 22.792 8.660 23.372 31 1HB ARG 3 HB2 ARG 3 20.856 7.816 21.232 32 2HB ARG 3 HB1 ARG 3 21.636 9.391 21.183 33 1HG ARG 3 HG2 ARG 3 23.786 8.426 20.990 34 2HG ARG 3 HG1 ARG 3 23.172 6.817 21.378 35 1HD ARG 3 HD2 ARG 3 23.677 7.322 18.929 36 2HD ARG 3 HD1 ARG 3 22.115 6.595 19.300 37 HE ARG 3 HE ARG 3 22.612 9.313 18.375 38 1HH1 ARG 3 1HH1 ARG 3 20.306 6.961 19.548 39 2HH1 ARG 3 2HH1 ARG 3 18.934 7.839 18.965 40 1HH2 ARG 3 1HH2 ARG 3 20.804 10.460 17.612 41 2HH2 ARG 3 2HH2 ARG 3 19.215 9.821 17.867 42 H HIS 4 HN HIS 4 21.873 9.565 25.309 43 HA HIS 4 HA HIS 4 19.237 10.792 25.050 44 1HB HIS 4 HB2 HIS 4 20.594 9.659 27.194 45 2HB HIS 4 HB1 HIS 4 20.687 11.389 27.507 46 HD1 HIS 4 HD1 HIS 4 18.481 8.530 27.850 47 HD2 HIS 4 HD2 HIS 4 18.027 12.649 27.541 48 HE1 HIS 4 HE1 HIS 4 16.153 9.014 28.670 49 HE2 HIS 4 HE2 HIS 4 15.940 11.522 28.571 50 H ILE 5 HN ILE 5 21.799 11.682 23.642 51 HA ILE 5 HA ILE 5 21.537 14.518 24.350 52 HB ILE 5 HB ILE 5 24.185 13.230 23.687 53 1HG1 ILE 5 2HG1 ILE 5 24.304 14.223 26.289 54 2HG1 ILE 5 1HG1 ILE 5 22.745 13.408 26.211 55 1HG2 ILE 5 1HG2 ILE 5 23.478 15.797 23.336 56 2HG2 ILE 5 2HG2 ILE 5 25.112 15.288 23.762 57 3HG2 ILE 5 3HG2 ILE 5 24.012 15.857 25.016 58 1HD1 ILE 5 1HD1 ILE 5 23.991 11.417 25.276 59 2HD1 ILE 5 2HD1 ILE 5 24.279 11.807 26.971 60 3HD1 ILE 5 3HD1 ILE 5 25.472 12.251 25.750 61 H VAL 6 HN VAL 6 23.106 12.348 21.990 62 HA VAL 6 HA VAL 6 23.109 14.146 19.846 63 HB VAL 6 HB VAL 6 22.948 11.129 19.719 64 1HG1 VAL 6 1HG1 VAL 6 24.449 12.400 17.610 65 2HG1 VAL 6 2HG1 VAL 6 22.792 13.001 17.654 66 3HG1 VAL 6 3HG1 VAL 6 23.097 11.272 17.505 67 1HG2 VAL 6 1HG2 VAL 6 24.905 12.588 20.930 68 2HG2 VAL 6 2HG2 VAL 6 25.534 12.439 19.290 69 3HG2 VAL 6 3HG2 VAL 6 25.131 10.992 20.214 70 H ARG 7 HN ARG 7 21.129 15.196 19.638 71 HA ARG 7 HA ARG 7 18.943 13.509 18.618 72 1HB ARG 7 HB2 ARG 7 18.837 14.887 20.977 73 2HB ARG 7 HB1 ARG 7 18.127 16.044 19.859 74 1HG ARG 7 HG2 ARG 7 16.364 14.755 20.796 75 2HG ARG 7 HG1 ARG 7 16.558 14.256 19.115 76 1HD ARG 7 HD2 ARG 7 18.259 12.627 20.685 77 2HD ARG 7 HD1 ARG 7 16.688 12.673 21.486 78 HE ARG 7 HE ARG 7 17.327 11.391 19.003 79 1HH1 ARG 7 1HH1 ARG 7 14.768 12.877 20.854 80 2HH1 ARG 7 2HH1 ARG 7 13.507 12.010 20.041 81 1HH2 ARG 7 1HH2 ARG 7 15.671 10.251 17.934 82 2HH2 ARG 7 2HH2 ARG 7 14.019 10.518 18.384 83 H LYS 8 HN LYS 8 19.470 17.028 18.865 84 HA LYS 8 HA LYS 8 18.246 17.705 16.485 85 1HB LYS 8 HB2 LYS 8 19.771 19.758 16.563 86 2HB LYS 8 HB1 LYS 8 18.722 19.473 17.946 87 1HG LYS 8 HG2 LYS 8 21.087 18.135 18.557 88 2HG LYS 8 HG1 LYS 8 21.595 19.655 17.819 89 1HD LYS 8 HD2 LYS 8 20.541 20.940 19.447 90 2HD LYS 8 HD1 LYS 8 19.473 19.623 19.932 91 1HE LYS 8 HE2 LYS 8 21.799 18.489 20.543 92 2HE LYS 8 HE1 LYS 8 22.285 20.176 20.700 93 1HZ LYS 8 HZ1 LYS 8 21.501 19.877 22.775 94 2HZ LYS 8 HZ2 LYS 8 20.472 18.608 22.343 95 3HZ LYS 8 HZ3 LYS 8 20.007 20.208 22.055 96 H ARG 9 HN ARG 9 21.578 16.692 17.030 97 HA ARG 9 HA ARG 9 22.466 17.271 14.390 98 1HB ARG 9 HB2 ARG 9 24.457 15.983 15.007 99 2HB ARG 9 HB1 ARG 9 24.025 17.150 16.247 100 1HG ARG 9 HG2 ARG 9 22.863 15.254 17.445 101 2HG ARG 9 HG1 ARG 9 23.657 14.172 16.298 102 1HD ARG 9 HD2 ARG 9 25.103 14.184 18.120 103 2HD ARG 9 HD1 ARG 9 25.829 15.348 17.015 104 HE ARG 9 HE ARG 9 24.513 15.920 19.552 105 1HH1 ARG 9 1HH1 ARG 9 26.009 17.163 16.647 106 2HH1 ARG 9 2HH1 ARG 9 26.288 18.733 17.319 107 1HH2 ARG 9 1HH2 ARG 9 24.878 17.985 20.427 108 2HH2 ARG 9 2HH2 ARG 9 25.646 19.201 19.461 109 H THR 10 HN THR 10 20.824 14.580 15.837 110 HA THR 10 HA THR 10 21.523 12.713 13.762 111 HB THR 10 HB THR 10 20.624 12.421 16.305 112 HG1 THR 10 HG1 THR 10 21.626 10.805 15.098 113 1HG2 THR 10 1HG2 THR 10 18.334 13.041 15.781 114 2HG2 THR 10 2HG2 THR 10 18.447 11.349 16.260 115 3HG2 THR 10 3HG2 THR 10 18.263 11.775 14.557 116 H LEU 11 HN LEU 11 18.675 14.646 14.610 117 HA LEU 11 HA LEU 11 16.977 13.748 12.570 118 1HB LEU 11 HB2 LEU 11 17.146 16.250 14.199 119 2HB LEU 11 HB1 LEU 11 16.039 16.189 12.842 120 HG LEU 11 HG LEU 11 14.926 14.230 13.854 121 1HD1 LEU 11 1HD1 LEU 11 15.512 13.979 16.383 122 2HD1 LEU 11 2HD1 LEU 11 17.077 14.619 15.882 123 3HD1 LEU 11 3HD1 LEU 11 16.463 13.131 15.165 124 1HD2 LEU 11 1HD2 LEU 11 14.425 16.748 14.362 125 2HD2 LEU 11 2HD2 LEU 11 14.998 16.327 15.976 126 3HD2 LEU 11 3HD2 LEU 11 13.619 15.475 15.278 127 H ARG 12 HN ARG 12 19.877 15.406 12.305 128 HA ARG 12 HA ARG 12 19.170 16.926 9.960 129 1HB ARG 12 HB2 ARG 12 21.348 16.870 11.864 130 2HB ARG 12 HB1 ARG 12 21.960 16.887 10.215 131 1HG ARG 12 HG2 ARG 12 20.731 18.900 9.728 132 2HG ARG 12 HG1 ARG 12 19.966 18.855 11.318 133 1HD ARG 12 HD2 ARG 12 21.655 20.362 11.693 134 2HD ARG 12 HD1 ARG 12 22.439 18.859 12.174 135 HE ARG 12 HE ARG 12 23.044 20.486 9.854 136 1HH1 ARG 12 1HH1 ARG 12 23.469 17.409 11.454 137 2HH1 ARG 12 2HH1 ARG 12 24.888 17.000 10.554 138 1HH2 ARG 12 1HH2 ARG 12 24.911 19.945 8.675 139 2HH2 ARG 12 2HH2 ARG 12 25.709 18.437 8.979 140 H ARG 13 HN ARG 13 20.436 13.797 10.691 141 HA ARG 13 HA ARG 13 21.617 13.429 8.075 142 1HB ARG 13 HB2 ARG 13 22.315 11.319 8.803 143 2HB ARG 13 HB1 ARG 13 22.369 12.286 10.267 144 1HG ARG 13 HG2 ARG 13 20.448 11.265 11.143 145 2HG ARG 13 HG1 ARG 13 19.989 10.589 9.581 146 1HD ARG 13 HD2 ARG 13 22.444 9.495 9.917 147 2HD ARG 13 HD1 ARG 13 21.895 9.602 11.589 148 HE ARG 13 HE ARG 13 19.783 8.487 10.332 149 1HH1 ARG 13 1HH1 ARG 13 23.184 7.705 10.396 150 2HH1 ARG 13 2HH1 ARG 13 22.926 6.010 10.163 151 1HH2 ARG 13 1HH2 ARG 13 19.443 6.256 10.024 152 2HH2 ARG 13 2HH2 ARG 13 20.804 5.187 9.951 153 H LEU 14 HN LEU 14 18.681 12.649 9.774 154 HA LEU 14 HA LEU 14 17.541 10.930 7.840 155 1HB LEU 14 HB2 LEU 14 16.857 11.600 10.343 156 2HB LEU 14 HB1 LEU 14 15.761 12.656 9.471 157 HG LEU 14 HG LEU 14 15.907 9.655 9.170 158 1HD1 LEU 14 1HD1 LEU 14 13.722 11.318 10.402 159 2HD1 LEU 14 2HD1 LEU 14 14.983 10.512 11.336 160 3HD1 LEU 14 3HD1 LEU 14 13.857 9.560 10.370 161 1HD2 LEU 14 1HD2 LEU 14 14.047 11.690 7.948 162 2HD2 LEU 14 2HD2 LEU 14 13.847 9.941 7.849 163 3HD2 LEU 14 3HD2 LEU 14 15.243 10.713 7.098 164 H LEU 15 HN LEU 15 16.991 14.394 8.503 165 HA LEU 15 HA LEU 15 15.305 14.815 6.294 166 1HB LEU 15 HB2 LEU 15 15.789 17.229 6.641 167 2HB LEU 15 HB1 LEU 15 15.236 16.383 8.072 168 HG LEU 15 HG LEU 15 17.808 16.178 8.581 169 1HD1 LEU 15 1HD1 LEU 15 17.974 17.543 6.209 170 2HD1 LEU 15 2HD1 LEU 15 19.232 17.465 7.441 171 3HD1 LEU 15 3HD1 LEU 15 18.115 18.829 7.407 172 1HD2 LEU 15 1HD2 LEU 15 17.435 17.740 10.167 173 2HD2 LEU 15 2HD2 LEU 15 15.785 17.682 9.549 174 3HD2 LEU 15 3HD2 LEU 15 16.888 18.944 9.001 175 H GLN 16 HN GLN 16 18.766 14.714 6.572 176 HA GLN 16 HA GLN 16 19.153 15.949 3.966 177 1HB GLN 16 HB2 GLN 16 20.966 14.974 6.130 178 2HB GLN 16 HB1 GLN 16 21.596 15.263 4.518 179 1HG GLN 16 HG2 GLN 16 20.120 17.542 5.132 180 2HG GLN 16 HG1 GLN 16 20.984 17.138 6.614 181 1HE2 GLN 16 1HE2 GLN 16 22.720 18.361 6.745 182 2HE2 GLN 16 2HE2 GLN 16 23.833 18.691 5.466 183 H GLU 17 HN GLU 17 18.989 12.775 5.366 184 HA GLU 17 HA GLU 17 20.402 11.410 3.303 185 1HB GLU 17 HB2 GLU 17 18.722 10.643 5.624 186 2HB GLU 17 HB1 GLU 17 18.846 9.467 4.322 187 1HG GLU 17 HG2 GLU 17 21.453 10.247 4.699 188 2HG GLU 17 HG1 GLU 17 20.794 10.243 6.334 189 H ARG 18 HN ARG 18 17.260 12.744 3.525 190 HA ARG 18 HA ARG 18 15.851 11.016 1.824 191 1HB ARG 18 HB2 ARG 18 14.278 12.900 1.580 192 2HB ARG 18 HB1 ARG 18 14.719 12.595 3.252 193 1HG ARG 18 HG2 ARG 18 15.155 14.743 3.442 194 2HG ARG 18 HG1 ARG 18 16.549 14.491 2.394 195 1HD ARG 18 HD2 ARG 18 15.610 15.696 0.775 196 2HD ARG 18 HD1 ARG 18 14.153 14.707 0.824 197 HE ARG 18 HE ARG 18 14.315 16.647 2.940 198 1HH1 ARG 18 1HH1 ARG 18 13.314 16.076 -0.355 199 2HH1 ARG 18 2HH1 ARG 18 12.147 17.356 -0.353 200 1HH2 ARG 18 1HH2 ARG 18 12.780 18.329 2.943 201 2HH2 ARG 18 2HH2 ARG 18 11.843 18.634 1.518 202 H GLU 19 HN GLU 19 17.734 13.940 1.154 203 HA GLU 19 HA GLU 19 18.438 14.895 -0.788 204 1HB GLU 19 HB2 GLU 19 19.602 12.555 -0.591 205 2HB GLU 19 HB1 GLU 19 18.619 12.170 -1.998 206 1HG GLU 19 HG2 GLU 19 19.576 14.218 -3.089 207 2HG GLU 19 HG1 GLU 19 20.706 14.308 -1.737 208 H LEU 20 HN LEU 20 15.484 14.169 -0.598 209 HA LEU 20 HA LEU 20 13.627 14.376 -1.885 210 1HB LEU 20 HB2 LEU 20 14.690 16.422 -2.627 211 2HB LEU 20 HB1 LEU 20 15.632 15.542 -3.813 212 HG LEU 20 HG LEU 20 13.762 15.175 -5.199 213 1HD1 LEU 20 1HD1 LEU 20 11.946 14.497 -4.037 214 2HD1 LEU 20 2HD1 LEU 20 11.487 16.190 -4.215 215 3HD1 LEU 20 3HD1 LEU 20 12.229 15.631 -2.716 216 1HD2 LEU 20 1HD2 LEU 20 12.935 17.862 -4.305 217 2HD2 LEU 20 2HD2 LEU 20 13.412 17.291 -5.904 218 3HD2 LEU 20 3HD2 LEU 20 14.642 17.659 -4.696 219 H VAL 21 HN VAL 21 15.666 12.021 -2.267 220 HA VAL 21 HA VAL 21 14.594 11.046 -4.823 221 HB VAL 21 HB VAL 21 17.053 11.061 -4.630 222 1HG1 VAL 21 1HG1 VAL 21 16.614 10.167 -2.051 223 2HG1 VAL 21 2HG1 VAL 21 18.170 10.265 -2.873 224 3HG1 VAL 21 3HG1 VAL 21 17.263 8.754 -2.882 225 1HG2 VAL 21 1HG2 VAL 21 15.595 8.459 -4.925 226 2HG2 VAL 21 2HG2 VAL 21 17.342 8.556 -5.148 227 3HG2 VAL 21 3HG2 VAL 21 16.267 9.506 -6.175 228 H GLU 22 HN GLU 22 14.776 10.335 -1.393 229 HA GLU 22 HA GLU 22 13.607 8.903 -0.076 230 1HB GLU 22 HB2 GLU 22 11.942 8.348 -2.539 231 2HB GLU 22 HB1 GLU 22 11.503 7.982 -0.877 232 1HG GLU 22 HG2 GLU 22 10.340 9.906 -1.153 233 2HG GLU 22 HG1 GLU 22 11.865 10.578 -0.580 234 HA PRO 23 HA PRO 23 16.197 5.521 -2.040 235 1HB PRO 23 HB2 PRO 23 17.565 5.041 0.307 236 2HB PRO 23 HB1 PRO 23 18.124 6.115 -0.979 237 1HG PRO 23 HG2 PRO 23 16.728 6.782 1.578 238 2HG PRO 23 HG1 PRO 23 18.062 7.630 0.773 239 1HD PRO 23 HD2 PRO 23 15.534 8.528 0.636 240 2HD PRO 23 HD1 PRO 23 16.650 8.677 -0.737 241 H LEU 24 HN LEU 24 14.601 5.778 1.104 242 HA LEU 24 HA LEU 24 13.774 2.968 0.815 243 1HB LEU 24 HB2 LEU 24 13.845 2.671 3.182 244 2HB LEU 24 HB1 LEU 24 15.399 3.289 2.657 245 HG LEU 24 HG LEU 24 13.251 5.029 3.864 246 1HD1 LEU 24 1HD1 LEU 24 15.273 3.278 5.124 247 2HD1 LEU 24 2HD1 LEU 24 13.697 3.804 5.714 248 3HD1 LEU 24 3HD1 LEU 24 15.079 4.896 5.798 249 1HD2 LEU 24 1HD2 LEU 24 14.627 6.555 2.924 250 2HD2 LEU 24 2HD2 LEU 24 15.994 5.442 2.857 251 3HD2 LEU 24 3HD2 LEU 24 15.587 6.248 4.372 252 H THR 25 HN THR 25 11.669 2.654 0.688 253 HA THR 25 HA THR 25 9.817 4.378 2.096 254 HB THR 25 HB THR 25 8.745 5.332 0.310 255 HG1 THR 25 HG1 THR 25 8.178 3.620 -0.908 256 1HG2 THR 25 1HG2 THR 25 10.869 6.356 0.165 257 2HG2 THR 25 2HG2 THR 25 10.350 6.002 -1.482 258 3HG2 THR 25 3HG2 THR 25 11.549 4.975 -0.696 259 HA PRO 26 HA PRO 26 8.177 0.207 2.557 260 1HB PRO 26 HB2 PRO 26 5.922 1.770 3.714 261 2HB PRO 26 HB1 PRO 26 6.798 0.390 4.385 262 1HG PRO 26 HG2 PRO 26 7.226 2.849 5.311 263 2HG PRO 26 HG1 PRO 26 8.564 1.700 5.122 264 1HD PRO 26 HD2 PRO 26 7.808 4.029 3.410 265 2HD PRO 26 HD1 PRO 26 9.420 3.428 3.853 266 H SER 27 HN SER 27 6.179 2.951 1.490 267 HA SER 27 HA SER 27 4.190 1.377 0.236 268 1HB SER 27 HB2 SER 27 3.495 3.491 -0.839 269 2HB SER 27 HB1 SER 27 3.765 3.695 0.891 270 HG SER 27 HG SER 27 5.595 4.799 0.492 271 H GLY 28 HN GLY 28 6.241 3.664 -1.543 272 1HA GLY 28 HA2 GLY 28 7.652 1.920 -3.152 273 2HA GLY 28 HA1 GLY 28 6.087 2.114 -3.930 274 H GLU 29 HN GLU 29 9.117 3.142 -4.133 275 HA GLU 29 HA GLU 29 10.097 4.859 -5.264 276 1HB GLU 29 HB2 GLU 29 7.357 5.018 -6.082 277 2HB GLU 29 HB1 GLU 29 7.970 6.649 -5.848 278 1HG GLU 29 HG2 GLU 29 8.396 6.171 -8.087 279 2HG GLU 29 HG1 GLU 29 9.946 5.935 -7.282 280 H ALA 30 HN ALA 30 7.338 6.228 -3.440 281 HA ALA 30 HA ALA 30 9.063 7.479 -1.537 282 1HB ALA 30 HB1 ALA 30 7.978 9.809 -2.290 283 2HB ALA 30 HB2 ALA 30 8.109 9.027 -3.865 284 3HB ALA 30 HB3 ALA 30 9.545 9.245 -2.868 285 HA PRO 31 HA PRO 31 5.298 7.515 0.754 286 1HB PRO 31 HB2 PRO 31 5.641 9.551 2.487 287 2HB PRO 31 HB1 PRO 31 6.594 8.066 2.578 288 1HG PRO 31 HG2 PRO 31 7.342 10.734 1.467 289 2HG PRO 31 HG1 PRO 31 8.320 9.595 2.407 290 1HD PRO 31 HD2 PRO 31 8.456 9.869 -0.329 291 2HD PRO 31 HD1 PRO 31 8.921 8.403 0.555 292 H ASN 32 HN ASN 32 6.195 10.866 -0.085 293 HA ASN 32 HA ASN 32 3.822 12.152 0.145 294 1HB ASN 32 HB2 ASN 32 5.981 13.176 -0.576 295 2HB ASN 32 HB1 ASN 32 5.702 12.531 -2.191 296 1HD2 ASN 32 1HD2 ASN 32 3.778 14.254 0.248 297 2HD2 ASN 32 2HD2 ASN 32 3.174 15.456 -0.835 298 H GLN 33 HN GLN 33 4.860 10.414 -2.796 299 HA GLN 33 HA GLN 33 2.579 10.867 -4.319 300 1HB GLN 33 HB2 GLN 33 3.215 8.955 -5.646 301 2HB GLN 33 HB1 GLN 33 4.641 9.887 -5.216 302 1HG GLN 33 HG2 GLN 33 5.521 7.928 -4.627 303 2HG GLN 33 HG1 GLN 33 4.520 8.075 -3.184 304 1HE2 GLN 33 1HE2 GLN 33 3.893 6.059 -2.776 305 2HE2 GLN 33 2HE2 GLN 33 3.086 5.019 -3.894 306 H ALA 34 HN ALA 34 3.051 8.725 -1.639 307 HA ALA 34 HA ALA 34 0.872 6.980 -2.129 308 1HB ALA 34 HB1 ALA 34 2.890 6.990 -0.327 309 2HB ALA 34 HB2 ALA 34 1.430 6.015 -0.160 310 3HB ALA 34 HB3 ALA 34 1.560 7.560 0.680 311 H LEU 35 HN LEU 35 1.243 9.707 0.118 312 HA LEU 35 HA LEU 35 -1.501 9.951 0.734 313 1HB LEU 35 HB2 LEU 35 0.472 12.215 0.804 314 2HB LEU 35 HB1 LEU 35 -0.934 11.972 1.823 315 HG LEU 35 HG LEU 35 0.990 9.802 2.084 316 1HD1 LEU 35 1HD1 LEU 35 2.828 11.104 1.900 317 2HD1 LEU 35 2HD1 LEU 35 2.409 11.520 3.561 318 3HD1 LEU 35 3HD1 LEU 35 1.946 12.593 2.241 319 1HD2 LEU 35 1HD2 LEU 35 0.752 10.592 4.517 320 2HD2 LEU 35 2HD2 LEU 35 -0.673 9.939 3.709 321 3HD2 LEU 35 3HD2 LEU 35 -0.485 11.683 3.891 322 H LEU 36 HN LEU 36 0.533 11.173 -1.799 323 HA LEU 36 HA LEU 36 -1.020 13.255 -2.772 324 1HB LEU 36 HB2 LEU 36 1.276 11.811 -3.603 325 2HB LEU 36 HB1 LEU 36 0.202 11.958 -4.980 326 HG LEU 36 HG LEU 36 1.861 13.780 -4.853 327 1HD1 LEU 36 1HD1 LEU 36 0.419 15.317 -5.679 328 2HD1 LEU 36 2HD1 LEU 36 -0.702 15.156 -4.326 329 3HD1 LEU 36 3HD1 LEU 36 -0.691 13.948 -5.612 330 1HD2 LEU 36 1HD2 LEU 36 0.450 15.086 -2.618 331 2HD2 LEU 36 2HD2 LEU 36 2.157 15.116 -3.059 332 3HD2 LEU 36 3HD2 LEU 36 1.495 13.732 -2.189 333 H ARG 37 HN ARG 37 -1.127 9.792 -3.719 334 HA ARG 37 HA ARG 37 -3.564 10.421 -5.228 335 1HB ARG 37 HB2 ARG 37 -3.184 8.124 -6.224 336 2HB ARG 37 HB1 ARG 37 -2.004 9.361 -6.630 337 1HG ARG 37 HG2 ARG 37 -0.326 8.279 -5.609 338 2HG ARG 37 HG1 ARG 37 -1.342 7.761 -4.262 339 1HD ARG 37 HD2 ARG 37 -2.342 6.040 -5.715 340 2HD ARG 37 HD1 ARG 37 -1.262 6.536 -7.017 341 HE ARG 37 HE ARG 37 0.419 5.963 -4.962 342 1HH1 ARG 37 1HH1 ARG 37 -2.128 4.203 -6.570 343 2HH1 ARG 37 2HH1 ARG 37 -1.406 2.654 -6.290 344 1HH2 ARG 37 1HH2 ARG 37 1.372 3.926 -4.592 345 2HH2 ARG 37 2HH2 ARG 37 0.580 2.496 -5.167 346 H ILE 38 HN ILE 38 -2.677 8.927 -2.253 347 HA ILE 38 HA ILE 38 -4.833 7.022 -2.306 348 HB ILE 38 HB ILE 38 -2.927 6.568 -0.863 349 1HG1 ILE 38 2HG1 ILE 38 -4.554 6.696 1.386 350 2HG1 ILE 38 1HG1 ILE 38 -5.696 6.684 0.047 351 1HG2 ILE 38 1HG2 ILE 38 -2.155 7.926 0.793 352 2HG2 ILE 38 2HG2 ILE 38 -3.736 8.645 1.093 353 3HG2 ILE 38 3HG2 ILE 38 -2.790 9.148 -0.306 354 1HD1 ILE 38 1HD1 ILE 38 -4.423 4.497 1.206 355 2HD1 ILE 38 2HD1 ILE 38 -3.644 4.712 -0.361 356 3HD1 ILE 38 3HD1 ILE 38 -5.394 4.514 -0.266 357 H LEU 39 HN LEU 39 -4.330 10.113 -0.615 358 HA LEU 39 HA LEU 39 -6.916 10.207 0.516 359 1HB LEU 39 HB2 LEU 39 -4.712 12.156 0.075 360 2HB LEU 39 HB1 LEU 39 -6.306 12.805 0.404 361 HG LEU 39 HG LEU 39 -5.128 12.698 2.473 362 1HD1 LEU 39 1HD1 LEU 39 -6.723 10.248 2.841 363 2HD1 LEU 39 2HD1 LEU 39 -7.568 11.622 2.129 364 3HD1 LEU 39 3HD1 LEU 39 -6.785 11.788 3.700 365 1HD2 LEU 39 1HD2 LEU 39 -3.753 11.038 3.149 366 2HD2 LEU 39 2HD2 LEU 39 -3.683 10.701 1.419 367 3HD2 LEU 39 3HD2 LEU 39 -4.763 9.769 2.456 368 H LYS 40 HN LYS 40 -5.759 10.695 -2.644 369 HA LYS 40 HA LYS 40 -8.076 12.284 -3.444 370 1HB LYS 40 HB2 LYS 40 -5.451 11.588 -4.712 371 2HB LYS 40 HB1 LYS 40 -6.781 12.161 -5.705 372 1HG LYS 40 HG2 LYS 40 -5.061 13.857 -4.880 373 2HG LYS 40 HG1 LYS 40 -6.767 14.267 -4.736 374 1HD LYS 40 HD2 LYS 40 -6.176 14.826 -2.626 375 2HD LYS 40 HD1 LYS 40 -6.341 13.103 -2.329 376 1HE LYS 40 HE2 LYS 40 -4.238 14.114 -1.453 377 2HE LYS 40 HE1 LYS 40 -4.004 12.752 -2.547 378 1HZ LYS 40 HZ1 LYS 40 -2.708 15.056 -2.782 379 2HZ LYS 40 HZ2 LYS 40 -4.039 15.390 -3.772 380 3HZ LYS 40 HZ3 LYS 40 -3.053 14.056 -4.103 381 H GLU 41 HN GLU 41 -6.568 9.142 -4.029 382 HA GLU 41 HA GLU 41 -8.758 8.403 -5.821 383 1HB GLU 41 HB2 GLU 41 -7.476 6.553 -6.472 384 2HB GLU 41 HB1 GLU 41 -6.289 7.825 -6.223 385 1HG GLU 41 HG2 GLU 41 -5.191 6.351 -4.986 386 2HG GLU 41 HG1 GLU 41 -6.420 6.643 -3.758 387 H THR 42 HN THR 42 -8.292 8.481 -2.583 388 HA THR 42 HA THR 42 -10.263 6.356 -2.171 389 HB THR 42 HB THR 42 -7.763 6.813 -0.540 390 HG1 THR 42 HG1 THR 42 -7.648 5.533 -2.508 391 1HG2 THR 42 1HG2 THR 42 -10.267 5.509 0.184 392 2HG2 THR 42 2HG2 THR 42 -8.931 6.052 1.199 393 3HG2 THR 42 3HG2 THR 42 -8.841 4.490 0.382 394 H GLU 43 HN GLU 43 -9.822 9.515 -2.101 395 HA GLU 43 HA GLU 43 -10.316 10.600 0.342 396 1HB GLU 43 HB2 GLU 43 -11.966 12.159 -1.020 397 2HB GLU 43 HB1 GLU 43 -10.232 12.230 -1.272 398 1HG GLU 43 HG2 GLU 43 -10.432 11.631 -3.396 399 2HG GLU 43 HG1 GLU 43 -11.453 10.255 -2.985 400 H PHE 44 HN PHE 44 -12.937 9.674 -1.892 401 HA PHE 44 HA PHE 44 -14.819 9.645 0.311 402 1HB PHE 44 HB2 PHE 44 -15.338 10.635 -1.949 403 2HB PHE 44 HB1 PHE 44 -15.337 8.997 -2.592 404 HD1 PHE 44 HD1 PHE 44 -17.153 7.500 -2.178 405 HD2 PHE 44 HD2 PHE 44 -17.080 11.363 -0.396 406 HE1 PHE 44 HE1 PHE 44 -19.522 7.254 -1.557 407 HE2 PHE 44 HE2 PHE 44 -19.448 11.124 0.229 408 HZ PHE 44 HZ PHE 44 -20.672 9.067 -0.352 409 H LYS 45 HN LYS 45 -13.003 7.396 -1.613 410 HA LYS 45 HA LYS 45 -14.570 5.113 -1.384 411 1HB LYS 45 HB2 LYS 45 -11.559 5.127 -1.264 412 2HB LYS 45 HB1 LYS 45 -12.604 3.855 -1.880 413 1HG LYS 45 HG2 LYS 45 -12.090 6.552 -3.110 414 2HG LYS 45 HG1 LYS 45 -11.614 4.974 -3.735 415 1HD LYS 45 HD2 LYS 45 -13.861 4.385 -4.215 416 2HD LYS 45 HD1 LYS 45 -14.487 5.758 -3.301 417 1HE LYS 45 HE2 LYS 45 -14.609 6.789 -5.284 418 2HE LYS 45 HE1 LYS 45 -12.862 6.977 -5.132 419 1HZ LYS 45 HZ1 LYS 45 -13.969 5.865 -7.234 420 2HZ LYS 45 HZ2 LYS 45 -13.856 4.478 -6.275 421 3HZ LYS 45 HZ3 LYS 45 -12.463 5.359 -6.651 422 H LYS 46 HN LYS 46 -11.952 6.185 0.793 423 HA LYS 46 HA LYS 46 -12.292 4.053 2.617 424 1HB LYS 46 HB2 LYS 46 -10.883 5.445 4.140 425 2HB LYS 46 HB1 LYS 46 -10.189 5.169 2.550 426 1HG LYS 46 HG2 LYS 46 -9.948 7.348 2.278 427 2HG LYS 46 HG1 LYS 46 -11.692 7.562 2.415 428 1HD LYS 46 HD2 LYS 46 -10.870 8.924 4.108 429 2HD LYS 46 HD1 LYS 46 -11.267 7.433 4.965 430 1HE LYS 46 HE2 LYS 46 -8.848 6.755 4.598 431 2HE LYS 46 HE1 LYS 46 -8.561 8.421 4.101 432 1HZ LYS 46 HZ1 LYS 46 -8.262 7.647 6.582 433 2HZ LYS 46 HZ2 LYS 46 -9.920 7.979 6.651 434 3HZ LYS 46 HZ3 LYS 46 -8.833 9.195 6.203 435 H ILE 47 HN ILE 47 -13.587 7.358 2.594 436 HA ILE 47 HA ILE 47 -14.670 7.189 5.206 437 HB ILE 47 HB ILE 47 -15.853 9.217 4.766 438 1HG1 ILE 47 2HG1 ILE 47 -15.265 8.674 1.852 439 2HG1 ILE 47 1HG1 ILE 47 -16.846 8.769 2.618 440 1HG2 ILE 47 1HG2 ILE 47 -14.030 10.654 4.017 441 2HG2 ILE 47 2HG2 ILE 47 -13.193 9.253 3.349 442 3HG2 ILE 47 3HG2 ILE 47 -13.443 9.384 5.090 443 1HD1 ILE 47 1HD1 ILE 47 -15.001 10.938 1.800 444 2HD1 ILE 47 2HD1 ILE 47 -16.026 11.201 3.210 445 3HD1 ILE 47 3HD1 ILE 47 -16.754 10.820 1.649 446 H LYS 48 HN LYS 48 -16.273 6.884 2.013 447 HA LYS 48 HA LYS 48 -18.830 6.370 2.937 448 1HB LYS 48 HB2 LYS 48 -19.312 5.441 0.796 449 2HB LYS 48 HB1 LYS 48 -18.129 6.716 0.542 450 1HG LYS 48 HG2 LYS 48 -16.360 5.078 0.329 451 2HG LYS 48 HG1 LYS 48 -17.499 3.775 0.679 452 1HD LYS 48 HD2 LYS 48 -18.805 4.533 -1.341 453 2HD LYS 48 HD1 LYS 48 -17.443 5.585 -1.728 454 1HE LYS 48 HE2 LYS 48 -16.056 3.383 -1.477 455 2HE LYS 48 HE1 LYS 48 -17.612 2.604 -1.756 456 1HZ LYS 48 HZ1 LYS 48 -16.959 2.816 -3.891 457 2HZ LYS 48 HZ2 LYS 48 -15.948 4.136 -3.587 458 3HZ LYS 48 HZ3 LYS 48 -17.618 4.365 -3.729 459 H VAL 49 HN VAL 49 -16.088 4.213 2.640 460 HA VAL 49 HA VAL 49 -17.556 1.832 3.272 461 HB VAL 49 HB VAL 49 -14.575 2.315 3.333 462 1HG1 VAL 49 1HG1 VAL 49 -14.612 -0.231 2.913 463 2HG1 VAL 49 2HG1 VAL 49 -16.255 -0.158 3.550 464 3HG1 VAL 49 3HG1 VAL 49 -14.898 0.358 4.552 465 1HG2 VAL 49 1HG2 VAL 49 -15.945 2.642 1.139 466 2HG2 VAL 49 2HG2 VAL 49 -16.007 0.880 1.139 467 3HG2 VAL 49 3HG2 VAL 49 -14.450 1.708 1.111 468 H LEU 50 HN LEU 50 -15.655 4.179 5.082 469 HA LEU 50 HA LEU 50 -15.668 2.600 7.495 470 1HB LEU 50 HB2 LEU 50 -14.831 5.438 6.925 471 2HB LEU 50 HB1 LEU 50 -14.716 4.697 8.510 472 HG LEU 50 HG LEU 50 -13.370 3.456 6.130 473 1HD1 LEU 50 1HD1 LEU 50 -12.810 6.005 6.782 474 2HD1 LEU 50 2HD1 LEU 50 -11.609 4.862 6.181 475 3HD1 LEU 50 3HD1 LEU 50 -11.754 5.158 7.913 476 1HD2 LEU 50 1HD2 LEU 50 -12.996 3.332 9.114 477 2HD2 LEU 50 2HD2 LEU 50 -11.830 2.678 7.963 478 3HD2 LEU 50 3HD2 LEU 50 -13.469 2.030 8.023 479 H GLY 51 HN GLY 51 -17.588 5.153 6.094 480 1HA GLY 51 HA2 GLY 51 -19.102 5.445 8.592 481 2HA GLY 51 HA1 GLY 51 -19.194 6.520 7.204 482 H SER 52 HN SER 52 -19.263 3.066 6.819 483 HA SER 52 HA SER 52 -21.679 3.121 5.365 484 1HB SER 52 HB2 SER 52 -19.888 0.973 6.421 485 2HB SER 52 HB1 SER 52 -21.496 0.527 5.853 486 HG SER 52 HG SER 52 -19.634 0.575 4.290 487 H GLY 53 HN GLY 53 -20.936 2.581 8.736 488 1HA GLY 53 HA2 GLY 53 -22.598 3.024 10.410 489 2HA GLY 53 HA1 GLY 53 -23.827 2.473 9.282 Start of MODEL 3 1 1H ARG 1 HT1 ARG 1 -8.540 -13.327 0.473 2 2H ARG 1 HT2 ARG 1 -7.823 -14.788 -0.075 3 3H ARG 1 HT3 ARG 1 -8.597 -14.730 1.455 4 HA ARG 1 HA ARG 1 -9.978 -15.831 -0.090 5 1HB ARG 1 HB2 ARG 1 -10.609 -13.391 1.320 6 2HB ARG 1 HB1 ARG 1 -11.658 -13.571 -0.079 7 1HG ARG 1 HG2 ARG 1 -12.226 -15.857 0.716 8 2HG ARG 1 HG1 ARG 1 -11.289 -15.530 2.175 9 1HD ARG 1 HD2 ARG 1 -13.488 -15.042 2.790 10 2HD ARG 1 HD1 ARG 1 -12.778 -13.466 2.442 11 HE ARG 1 HE ARG 1 -14.219 -13.239 0.675 12 1HH1 ARG 1 1HH1 ARG 1 -14.227 -16.566 1.730 13 2HH1 ARG 1 2HH1 ARG 1 -15.565 -17.012 0.726 14 1HH2 ARG 1 1HH2 ARG 1 -15.978 -13.825 -0.648 15 2HH2 ARG 1 2HH2 ARG 1 -16.559 -15.456 -0.625 16 H ARG 2 HN ARG 2 -9.607 -12.431 -1.117 17 HA ARG 2 HA ARG 2 -9.962 -13.338 -3.899 18 1HB ARG 2 HB2 ARG 2 -10.971 -10.937 -2.444 19 2HB ARG 2 HB1 ARG 2 -10.586 -10.773 -4.151 20 1HG ARG 2 HG2 ARG 2 -12.079 -12.835 -4.478 21 2HG ARG 2 HG1 ARG 2 -12.666 -12.488 -2.851 22 1HD ARG 2 HD2 ARG 2 -13.813 -10.665 -3.515 23 2HD ARG 2 HD1 ARG 2 -12.569 -10.177 -4.666 24 HE ARG 2 HE ARG 2 -13.670 -12.352 -5.834 25 1HH1 ARG 2 1HH1 ARG 2 -15.018 -9.417 -4.513 26 2HH1 ARG 2 2HH1 ARG 2 -16.365 -9.397 -5.603 27 1HH2 ARG 2 1HH2 ARG 2 -15.440 -12.327 -7.268 28 2HH2 ARG 2 2HH2 ARG 2 -16.604 -11.049 -7.166 29 H ARG 3 HN ARG 3 -8.249 -11.118 -1.756 30 HA ARG 3 HA ARG 3 -6.328 -10.557 -3.908 31 1HB ARG 3 HB2 ARG 3 -6.513 -9.142 -1.250 32 2HB ARG 3 HB1 ARG 3 -5.674 -8.608 -2.701 33 1HG ARG 3 HG2 ARG 3 -8.083 -8.686 -3.738 34 2HG ARG 3 HG1 ARG 3 -8.575 -8.538 -2.050 35 1HD ARG 3 HD2 ARG 3 -8.426 -6.344 -3.057 36 2HD ARG 3 HD1 ARG 3 -7.165 -6.531 -1.839 37 HE ARG 3 HE ARG 3 -5.928 -7.246 -4.141 38 1HH1 ARG 3 1HH1 ARG 3 -7.768 -4.442 -3.179 39 2HH1 ARG 3 2HH1 ARG 3 -6.907 -3.362 -4.224 40 1HH2 ARG 3 1HH2 ARG 3 -4.794 -5.829 -5.516 41 2HH2 ARG 3 2HH2 ARG 3 -5.218 -4.150 -5.552 42 H HIS 4 HN HIS 4 -4.127 -9.840 -2.442 43 HA HIS 4 HA HIS 4 -2.239 -10.705 -1.519 44 1HB HIS 4 HB2 HIS 4 -4.371 -11.284 0.279 45 2HB HIS 4 HB1 HIS 4 -3.287 -12.671 0.270 46 HD1 HIS 4 HD1 HIS 4 -0.705 -10.772 -0.235 47 HD2 HIS 4 HD2 HIS 4 -3.509 -10.489 2.819 48 HE1 HIS 4 HE1 HIS 4 0.456 -9.554 1.634 49 HE2 HIS 4 HE2 HIS 4 -1.237 -9.456 3.497 50 H ILE 5 HN ILE 5 -3.323 -11.970 -3.882 51 HA ILE 5 HA ILE 5 -2.993 -14.809 -3.621 52 HB ILE 5 HB ILE 5 -2.969 -13.203 -6.174 53 1HG1 ILE 5 2HG1 ILE 5 -5.392 -14.500 -4.935 54 2HG1 ILE 5 1HG1 ILE 5 -4.974 -12.819 -4.622 55 1HG2 ILE 5 1HG2 ILE 5 -4.065 -15.447 -6.931 56 2HG2 ILE 5 2HG2 ILE 5 -3.272 -16.092 -5.495 57 3HG2 ILE 5 3HG2 ILE 5 -2.313 -15.328 -6.763 58 1HD1 ILE 5 1HD1 ILE 5 -6.581 -12.828 -6.351 59 2HD1 ILE 5 2HD1 ILE 5 -5.712 -14.074 -7.246 60 3HD1 ILE 5 3HD1 ILE 5 -5.030 -12.454 -7.103 61 H VAL 6 HN VAL 6 -1.171 -12.378 -5.490 62 HA VAL 6 HA VAL 6 1.140 -14.149 -5.532 63 HB VAL 6 HB VAL 6 0.831 -11.427 -6.801 64 1HG1 VAL 6 1HG1 VAL 6 2.872 -11.692 -7.719 65 2HG1 VAL 6 2HG1 VAL 6 2.661 -13.428 -7.941 66 3HG1 VAL 6 3HG1 VAL 6 3.128 -12.792 -6.365 67 1HG2 VAL 6 1HG2 VAL 6 -0.138 -14.083 -7.599 68 2HG2 VAL 6 2HG2 VAL 6 0.728 -13.197 -8.854 69 3HG2 VAL 6 3HG2 VAL 6 -0.686 -12.479 -8.084 70 H ARG 7 HN ARG 7 2.188 -14.114 -3.617 71 HA ARG 7 HA ARG 7 3.122 -11.490 -2.660 72 1HB ARG 7 HB2 ARG 7 2.959 -12.274 -0.366 73 2HB ARG 7 HB1 ARG 7 1.393 -12.389 -1.157 74 1HG ARG 7 HG2 ARG 7 1.781 -14.794 -1.519 75 2HG ARG 7 HG1 ARG 7 3.309 -14.655 -0.647 76 1HD ARG 7 HD2 ARG 7 2.122 -13.946 1.353 77 2HD ARG 7 HD1 ARG 7 0.588 -14.010 0.485 78 HE ARG 7 HE ARG 7 2.053 -16.223 1.588 79 1HH1 ARG 7 1HH1 ARG 7 -0.304 -15.252 -0.795 80 2HH1 ARG 7 2HH1 ARG 7 -1.020 -16.825 -0.910 81 1HH2 ARG 7 1HH2 ARG 7 1.114 -18.293 1.438 82 2HH2 ARG 7 2HH2 ARG 7 -0.216 -18.551 0.358 83 H LYS 8 HN LYS 8 3.753 -14.982 -2.708 84 HA LYS 8 HA LYS 8 6.344 -14.917 -1.669 85 1HB LYS 8 HB2 LYS 8 4.616 -16.845 -2.889 86 2HB LYS 8 HB1 LYS 8 6.219 -16.995 -3.595 87 1HG LYS 8 HG2 LYS 8 5.954 -16.819 -0.635 88 2HG LYS 8 HG1 LYS 8 5.568 -18.335 -1.450 89 1HD LYS 8 HD2 LYS 8 8.165 -16.838 -1.775 90 2HD LYS 8 HD1 LYS 8 7.925 -18.185 -0.661 91 1HE LYS 8 HE2 LYS 8 7.193 -19.539 -2.669 92 2HE LYS 8 HE1 LYS 8 7.794 -18.215 -3.667 93 1HZ LYS 8 HZ1 LYS 8 9.284 -20.284 -2.918 94 2HZ LYS 8 HZ2 LYS 8 9.632 -19.216 -1.654 95 3HZ LYS 8 HZ3 LYS 8 9.924 -18.755 -3.255 96 H ARG 9 HN ARG 9 5.340 -15.025 -5.094 97 HA ARG 9 HA ARG 9 8.029 -14.519 -5.985 98 1HB ARG 9 HB2 ARG 9 6.859 -14.335 -8.258 99 2HB ARG 9 HB1 ARG 9 6.813 -15.891 -7.443 100 1HG ARG 9 HG2 ARG 9 4.556 -14.088 -6.873 101 2HG ARG 9 HG1 ARG 9 4.665 -14.693 -8.527 102 1HD ARG 9 HD2 ARG 9 5.157 -16.803 -6.622 103 2HD ARG 9 HD1 ARG 9 3.612 -16.017 -6.301 104 HE ARG 9 HE ARG 9 4.302 -17.638 -8.585 105 1HH1 ARG 9 1HH1 ARG 9 2.118 -15.238 -7.299 106 2HH1 ARG 9 2HH1 ARG 9 0.850 -15.613 -8.417 107 1HH2 ARG 9 1HH2 ARG 9 2.637 -18.130 -10.056 108 2HH2 ARG 9 2HH2 ARG 9 1.145 -17.254 -9.982 109 H THR 10 HN THR 10 5.441 -12.563 -4.967 110 HA THR 10 HA THR 10 6.054 -10.304 -6.632 111 HB THR 10 HB THR 10 3.847 -11.031 -5.216 112 HG1 THR 10 HG1 THR 10 4.616 -8.441 -6.062 113 1HG2 THR 10 1HG2 THR 10 4.726 -10.416 -3.048 114 2HG2 THR 10 2HG2 THR 10 3.431 -9.316 -3.521 115 3HG2 THR 10 3HG2 THR 10 5.115 -8.802 -3.640 116 H LEU 11 HN LEU 11 6.493 -11.051 -3.168 117 HA LEU 11 HA LEU 11 7.762 -8.749 -2.365 118 1HB LEU 11 HB2 LEU 11 8.975 -10.218 -0.701 119 2HB LEU 11 HB1 LEU 11 7.224 -10.320 -0.698 120 HG LEU 11 HG LEU 11 7.679 -12.366 -2.312 121 1HD1 LEU 11 1HD1 LEU 11 10.231 -11.724 -1.998 122 2HD1 LEU 11 2HD1 LEU 11 9.701 -13.396 -2.173 123 3HD1 LEU 11 3HD1 LEU 11 10.049 -12.743 -0.572 124 1HD2 LEU 11 1HD2 LEU 11 7.511 -12.085 0.610 125 2HD2 LEU 11 2HD2 LEU 11 8.102 -13.643 0.032 126 3HD2 LEU 11 3HD2 LEU 11 6.531 -13.044 -0.499 127 H ARG 12 HN ARG 12 8.981 -11.318 -4.351 128 HA ARG 12 HA ARG 12 11.716 -10.913 -4.079 129 1HB ARG 12 HB2 ARG 12 9.939 -12.177 -6.041 130 2HB ARG 12 HB1 ARG 12 11.444 -11.586 -6.731 131 1HG ARG 12 HG2 ARG 12 12.597 -12.838 -4.823 132 2HG ARG 12 HG1 ARG 12 11.045 -13.646 -4.592 133 1HD ARG 12 HD2 ARG 12 11.823 -15.111 -6.101 134 2HD ARG 12 HD1 ARG 12 11.379 -13.879 -7.280 135 HE ARG 12 HE ARG 12 13.985 -13.379 -6.350 136 1HH1 ARG 12 1HH1 ARG 12 12.226 -15.654 -8.326 137 2HH1 ARG 12 2HH1 ARG 12 13.595 -16.050 -9.310 138 1HH2 ARG 12 1HH2 ARG 12 15.787 -13.895 -7.644 139 2HH2 ARG 12 2HH2 ARG 12 15.617 -15.051 -8.923 140 H ARG 13 HN ARG 13 9.308 -9.058 -5.753 141 HA ARG 13 HA ARG 13 11.205 -7.526 -7.288 142 1HB ARG 13 HB2 ARG 13 9.381 -6.494 -8.260 143 2HB ARG 13 HB1 ARG 13 8.669 -8.026 -7.777 144 1HG ARG 13 HG2 ARG 13 7.834 -6.897 -5.712 145 2HG ARG 13 HG1 ARG 13 8.400 -5.371 -6.388 146 1HD ARG 13 HD2 ARG 13 6.980 -6.215 -8.469 147 2HD ARG 13 HD1 ARG 13 6.120 -7.090 -7.202 148 HE ARG 13 HE ARG 13 6.066 -4.264 -7.699 149 1HH1 ARG 13 1HH1 ARG 13 5.648 -6.739 -5.274 150 2HH1 ARG 13 2HH1 ARG 13 4.618 -5.765 -4.280 151 1HH2 ARG 13 1HH2 ARG 13 4.710 -2.983 -6.393 152 2HH2 ARG 13 2HH2 ARG 13 4.086 -3.633 -4.914 153 H LEU 14 HN LEU 14 9.246 -7.086 -4.406 154 HA LEU 14 HA LEU 14 9.947 -4.436 -3.814 155 1HB LEU 14 HB2 LEU 14 8.206 -6.105 -2.728 156 2HB LEU 14 HB1 LEU 14 9.519 -6.392 -1.602 157 HG LEU 14 HG LEU 14 9.555 -3.805 -1.354 158 1HD1 LEU 14 1HD1 LEU 14 6.659 -3.895 -1.900 159 2HD1 LEU 14 2HD1 LEU 14 7.716 -3.857 -3.309 160 3HD1 LEU 14 3HD1 LEU 14 7.815 -2.578 -2.099 161 1HD2 LEU 14 1HD2 LEU 14 8.122 -3.956 0.513 162 2HD2 LEU 14 2HD2 LEU 14 8.823 -5.563 0.319 163 3HD2 LEU 14 3HD2 LEU 14 7.174 -5.249 -0.221 164 H LEU 15 HN LEU 15 11.435 -7.503 -2.837 165 HA LEU 15 HA LEU 15 13.496 -6.266 -1.297 166 1HB LEU 15 HB2 LEU 15 13.549 -9.046 -2.441 167 2HB LEU 15 HB1 LEU 15 14.395 -8.451 -1.025 168 HG LEU 15 HG LEU 15 11.445 -8.275 -0.927 169 1HD1 LEU 15 1HD1 LEU 15 11.052 -10.564 -0.548 170 2HD1 LEU 15 2HD1 LEU 15 12.774 -10.940 -0.534 171 3HD1 LEU 15 3HD1 LEU 15 11.983 -10.485 -2.043 172 1HD2 LEU 15 1HD2 LEU 15 12.290 -7.690 1.091 173 2HD2 LEU 15 2HD2 LEU 15 13.742 -8.671 0.893 174 3HD2 LEU 15 3HD2 LEU 15 12.220 -9.433 1.355 175 H GLN 16 HN GLN 16 13.083 -6.973 -4.646 176 HA GLN 16 HA GLN 16 15.934 -6.834 -5.210 177 1HB GLN 16 HB2 GLN 16 13.487 -7.470 -6.794 178 2HB GLN 16 HB1 GLN 16 14.914 -6.906 -7.651 179 1HG GLN 16 HG2 GLN 16 16.186 -8.734 -6.441 180 2HG GLN 16 HG1 GLN 16 14.611 -9.373 -5.974 181 1HE2 GLN 16 1HE2 GLN 16 16.384 -10.851 -7.471 182 2HE2 GLN 16 2HE2 GLN 16 15.754 -11.061 -9.066 183 H GLU 17 HN GLU 17 13.188 -4.749 -5.147 184 HA GLU 17 HA GLU 17 14.125 -2.806 -6.998 185 1HB GLU 17 HB2 GLU 17 11.845 -3.172 -5.296 186 2HB GLU 17 HB1 GLU 17 12.469 -1.543 -5.083 187 1HG GLU 17 HG2 GLU 17 11.774 -0.883 -7.096 188 2HG GLU 17 HG1 GLU 17 12.302 -2.374 -7.874 189 H ARG 18 HN ARG 18 15.168 -3.638 -3.890 190 HA ARG 18 HA ARG 18 15.897 -1.102 -2.882 191 1HB ARG 18 HB2 ARG 18 17.166 -2.271 -1.245 192 2HB ARG 18 HB1 ARG 18 15.735 -3.239 -1.564 193 1HG ARG 18 HG2 ARG 18 17.011 -4.986 -2.009 194 2HG ARG 18 HG1 ARG 18 17.767 -4.104 -3.337 195 1HD ARG 18 HD2 ARG 18 19.634 -3.696 -2.158 196 2HD ARG 18 HD1 ARG 18 18.739 -3.345 -0.680 197 HE ARG 18 HE ARG 18 18.804 -6.137 -1.379 198 1HH1 ARG 18 1HH1 ARG 18 20.449 -3.560 0.305 199 2HH1 ARG 18 2HH1 ARG 18 21.293 -4.628 1.374 200 1HH2 ARG 18 1HH2 ARG 18 19.914 -7.544 0.026 201 2HH2 ARG 18 2HH2 ARG 18 20.990 -6.891 1.215 202 H GLU 19 HN GLU 19 17.162 -2.925 -5.448 203 HA GLU 19 HA GLU 19 19.879 -2.439 -5.373 204 1HB GLU 19 HB2 GLU 19 18.303 -3.672 -7.122 205 2HB GLU 19 HB1 GLU 19 18.478 -2.151 -7.986 206 1HG GLU 19 HG2 GLU 19 21.001 -3.232 -6.999 207 2HG GLU 19 HG1 GLU 19 20.175 -4.283 -8.148 208 H LEU 20 HN LEU 20 17.291 -0.200 -5.928 209 HA LEU 20 HA LEU 20 19.282 1.928 -6.275 210 1HB LEU 20 HB2 LEU 20 16.707 1.686 -7.830 211 2HB LEU 20 HB1 LEU 20 17.800 3.056 -7.886 212 HG LEU 20 HG LEU 20 19.436 0.909 -8.513 213 1HD1 LEU 20 1HD1 LEU 20 16.766 0.567 -9.869 214 2HD1 LEU 20 2HD1 LEU 20 17.529 -0.568 -8.758 215 3HD1 LEU 20 3HD1 LEU 20 18.259 -0.248 -10.331 216 1HD2 LEU 20 1HD2 LEU 20 19.204 1.839 -10.862 217 2HD2 LEU 20 2HD2 LEU 20 19.674 2.981 -9.604 218 3HD2 LEU 20 3HD2 LEU 20 18.011 2.954 -10.192 219 H VAL 21 HN VAL 21 15.722 1.829 -6.133 220 HA VAL 21 HA VAL 21 15.884 3.570 -3.760 221 HB VAL 21 HB VAL 21 15.068 4.802 -5.714 222 1HG1 VAL 21 1HG1 VAL 21 14.051 2.719 -6.772 223 2HG1 VAL 21 2HG1 VAL 21 13.144 4.224 -6.927 224 3HG1 VAL 21 3HG1 VAL 21 12.653 3.017 -5.737 225 1HG2 VAL 21 1HG2 VAL 21 13.286 5.866 -4.647 226 2HG2 VAL 21 2HG2 VAL 21 14.187 5.129 -3.322 227 3HG2 VAL 21 3HG2 VAL 21 12.710 4.369 -3.914 228 H GLU 22 HN GLU 22 15.120 2.673 -1.992 229 HA GLU 22 HA GLU 22 12.614 1.540 -1.679 230 1HB GLU 22 HB2 GLU 22 14.066 -0.272 -3.047 231 2HB GLU 22 HB1 GLU 22 14.489 -0.738 -1.407 232 1HG GLU 22 HG2 GLU 22 12.570 -1.983 -2.362 233 2HG GLU 22 HG1 GLU 22 12.217 -1.153 -0.848 234 HA PRO 23 HA PRO 23 15.520 0.429 2.192 235 1HB PRO 23 HB2 PRO 23 17.665 2.355 1.409 236 2HB PRO 23 HB1 PRO 23 17.789 0.833 2.301 237 1HG PRO 23 HG2 PRO 23 18.516 0.947 -0.247 238 2HG PRO 23 HG1 PRO 23 17.633 -0.460 0.375 239 1HD PRO 23 HD2 PRO 23 16.657 1.799 -1.310 240 2HD PRO 23 HD1 PRO 23 16.202 0.085 -1.349 241 H LEU 24 HN LEU 24 15.126 3.499 0.567 242 HA LEU 24 HA LEU 24 14.321 4.692 3.132 243 1HB LEU 24 HB2 LEU 24 15.104 6.900 2.078 244 2HB LEU 24 HB1 LEU 24 16.312 5.815 2.738 245 HG LEU 24 HG LEU 24 16.918 6.887 0.554 246 1HD1 LEU 24 1HD1 LEU 24 17.488 4.401 1.507 247 2HD1 LEU 24 2HD1 LEU 24 18.258 5.156 0.111 248 3HD1 LEU 24 3HD1 LEU 24 16.909 4.043 -0.120 249 1HD2 LEU 24 1HD2 LEU 24 15.046 4.940 -0.740 250 2HD2 LEU 24 2HD2 LEU 24 15.866 6.334 -1.441 251 3HD2 LEU 24 3HD2 LEU 24 14.519 6.572 -0.328 252 H THR 25 HN THR 25 12.728 3.370 1.086 253 HA THR 25 HA THR 25 10.757 5.452 0.733 254 HB THR 25 HB THR 25 10.524 4.762 -1.752 255 HG1 THR 25 HG1 THR 25 11.956 3.352 -2.324 256 1HG2 THR 25 1HG2 THR 25 13.027 6.253 -1.618 257 2HG2 THR 25 2HG2 THR 25 11.744 6.901 -0.596 258 3HG2 THR 25 3HG2 THR 25 11.473 6.693 -2.327 259 HA PRO 26 HA PRO 26 8.657 1.563 1.739 260 1HB PRO 26 HB2 PRO 26 6.295 2.717 2.434 261 2HB PRO 26 HB1 PRO 26 7.684 2.626 3.524 262 1HG PRO 26 HG2 PRO 26 6.748 4.911 1.832 263 2HG PRO 26 HG1 PRO 26 7.337 4.923 3.505 264 1HD PRO 26 HD2 PRO 26 8.895 5.640 1.413 265 2HD PRO 26 HD1 PRO 26 9.550 4.849 2.860 266 H SER 27 HN SER 27 7.638 4.109 -0.434 267 HA SER 27 HA SER 27 5.652 2.391 -1.696 268 1HB SER 27 HB2 SER 27 5.330 4.447 -3.182 269 2HB SER 27 HB1 SER 27 4.908 4.632 -1.480 270 HG SER 27 HG SER 27 6.534 6.131 -2.833 271 H GLY 28 HN GLY 28 8.128 4.531 -3.100 272 1HA GLY 28 HA2 GLY 28 9.758 2.663 -4.295 273 2HA GLY 28 HA1 GLY 28 8.413 2.869 -5.408 274 H GLU 29 HN GLU 29 7.878 5.296 -5.791 275 HA GLU 29 HA GLU 29 10.340 6.513 -6.728 276 1HB GLU 29 HB2 GLU 29 7.599 6.510 -7.550 277 2HB GLU 29 HB1 GLU 29 8.104 8.174 -7.288 278 1HG GLU 29 HG2 GLU 29 10.084 7.699 -8.751 279 2HG GLU 29 HG1 GLU 29 9.333 6.151 -9.139 280 H ALA 30 HN ALA 30 7.756 7.172 -4.431 281 HA ALA 30 HA ALA 30 9.372 8.751 -2.760 282 1HB ALA 30 HB1 ALA 30 7.600 10.255 -4.664 283 2HB ALA 30 HB2 ALA 30 9.315 10.497 -4.333 284 3HB ALA 30 HB3 ALA 30 8.112 10.933 -3.118 285 HA PRO 31 HA PRO 31 6.075 7.678 -0.026 286 1HB PRO 31 HB2 PRO 31 6.391 9.594 1.896 287 2HB PRO 31 HB1 PRO 31 7.433 8.177 1.749 288 1HG PRO 31 HG2 PRO 31 7.899 10.978 0.811 289 2HG PRO 31 HG1 PRO 31 9.030 9.854 1.586 290 1HD PRO 31 HD2 PRO 31 9.039 10.300 -1.078 291 2HD PRO 31 HD1 PRO 31 9.445 8.718 -0.382 292 H ASN 32 HN ASN 32 6.384 11.215 -0.423 293 HA ASN 32 HA ASN 32 3.871 12.026 0.233 294 1HB ASN 32 HB2 ASN 32 4.202 13.863 -1.491 295 2HB ASN 32 HB1 ASN 32 5.479 13.683 -0.291 296 1HD2 ASN 32 1HD2 ASN 32 4.564 13.041 -3.609 297 2HD2 ASN 32 2HD2 ASN 32 6.171 12.886 -4.223 298 H GLN 33 HN GLN 33 4.841 10.409 -2.722 299 HA GLN 33 HA GLN 33 2.556 10.932 -4.269 300 1HB GLN 33 HB2 GLN 33 4.132 8.372 -4.368 301 2HB GLN 33 HB1 GLN 33 3.217 9.132 -5.662 302 1HG GLN 33 HG2 GLN 33 5.299 10.852 -4.580 303 2HG GLN 33 HG1 GLN 33 5.920 9.345 -5.254 304 1HE2 GLN 33 1HE2 GLN 33 6.744 9.901 -7.155 305 2HE2 GLN 33 2HE2 GLN 33 5.908 10.761 -8.398 306 H ALA 34 HN ALA 34 3.053 8.799 -1.585 307 HA ALA 34 HA ALA 34 0.904 7.019 -2.065 308 1HB ALA 34 HB1 ALA 34 1.028 6.729 0.484 309 2HB ALA 34 HB2 ALA 34 2.401 7.833 0.412 310 3HB ALA 34 HB3 ALA 34 2.457 6.299 -0.457 311 H LEU 35 HN LEU 35 1.196 9.844 0.065 312 HA LEU 35 HA LEU 35 -1.581 10.003 0.639 313 1HB LEU 35 HB2 LEU 35 0.357 12.307 0.729 314 2HB LEU 35 HB1 LEU 35 -1.099 12.088 1.680 315 HG LEU 35 HG LEU 35 0.809 9.936 2.113 316 1HD1 LEU 35 1HD1 LEU 35 2.163 11.700 3.593 317 2HD1 LEU 35 2HD1 LEU 35 1.761 12.730 2.220 318 3HD1 LEU 35 3HD1 LEU 35 2.656 11.232 1.966 319 1HD2 LEU 35 1HD2 LEU 35 -0.897 11.788 3.685 320 2HD2 LEU 35 2HD2 LEU 35 0.459 11.015 4.506 321 3HD2 LEU 35 3HD2 LEU 35 -0.784 10.027 3.739 322 H LEU 36 HN LEU 36 0.473 11.175 -1.906 323 HA LEU 36 HA LEU 36 -1.114 13.204 -2.953 324 1HB LEU 36 HB2 LEU 36 1.261 11.924 -3.660 325 2HB LEU 36 HB1 LEU 36 0.215 11.744 -5.055 326 HG LEU 36 HG LEU 36 -0.172 14.336 -4.655 327 1HD1 LEU 36 1HD1 LEU 36 2.557 13.823 -3.481 328 2HD1 LEU 36 2HD1 LEU 36 1.160 14.503 -2.647 329 3HD1 LEU 36 3HD1 LEU 36 1.934 15.405 -3.951 330 1HD2 LEU 36 1HD2 LEU 36 2.254 13.131 -5.982 331 2HD2 LEU 36 2HD2 LEU 36 1.642 14.759 -6.266 332 3HD2 LEU 36 3HD2 LEU 36 0.663 13.361 -6.707 333 H ARG 37 HN ARG 37 -1.132 9.706 -3.781 334 HA ARG 37 HA ARG 37 -3.611 10.235 -5.263 335 1HB ARG 37 HB2 ARG 37 -3.170 7.885 -6.176 336 2HB ARG 37 HB1 ARG 37 -2.104 9.178 -6.706 337 1HG ARG 37 HG2 ARG 37 -0.306 8.359 -5.559 338 2HG ARG 37 HG1 ARG 37 -1.306 7.567 -4.340 339 1HD ARG 37 HD2 ARG 37 -1.672 5.716 -5.645 340 2HD ARG 37 HD1 ARG 37 -1.457 6.604 -7.153 341 HE ARG 37 HE ARG 37 0.528 5.168 -5.756 342 1HH1 ARG 37 1HH1 ARG 37 0.075 8.144 -7.521 343 2HH1 ARG 37 2HH1 ARG 37 1.729 8.242 -8.025 344 1HH2 ARG 37 1HH2 ARG 37 2.703 5.295 -6.418 345 2HH2 ARG 37 2HH2 ARG 37 3.221 6.624 -7.400 346 H ILE 38 HN ILE 38 -2.632 8.944 -2.268 347 HA ILE 38 HA ILE 38 -4.645 6.896 -2.156 348 HB ILE 38 HB ILE 38 -2.870 8.116 -0.053 349 1HG1 ILE 38 2HG1 ILE 38 -3.008 5.264 -0.995 350 2HG1 ILE 38 1HG1 ILE 38 -2.074 6.475 -1.866 351 1HG2 ILE 38 1HG2 ILE 38 -3.833 5.928 1.179 352 2HG2 ILE 38 2HG2 ILE 38 -5.266 6.419 0.275 353 3HG2 ILE 38 3HG2 ILE 38 -4.507 7.542 1.403 354 1HD1 ILE 38 1HD1 ILE 38 -1.139 6.862 0.623 355 2HD1 ILE 38 2HD1 ILE 38 -0.420 5.743 -0.536 356 3HD1 ILE 38 3HD1 ILE 38 -1.531 5.145 0.697 357 H LEU 39 HN LEU 39 -4.307 10.076 -0.593 358 HA LEU 39 HA LEU 39 -6.954 9.987 0.497 359 1HB LEU 39 HB2 LEU 39 -4.674 11.789 0.568 360 2HB LEU 39 HB1 LEU 39 -6.187 12.662 0.425 361 HG LEU 39 HG LEU 39 -6.600 10.721 2.426 362 1HD1 LEU 39 1HD1 LEU 39 -4.298 12.287 3.384 363 2HD1 LEU 39 2HD1 LEU 39 -3.923 10.962 2.283 364 3HD1 LEU 39 3HD1 LEU 39 -4.802 10.645 3.779 365 1HD2 LEU 39 1HD2 LEU 39 -7.477 13.098 2.140 366 2HD2 LEU 39 2HD2 LEU 39 -5.976 13.620 2.906 367 3HD2 LEU 39 3HD2 LEU 39 -7.094 12.573 3.780 368 H LYS 40 HN LYS 40 -5.706 10.617 -2.559 369 HA LYS 40 HA LYS 40 -7.931 12.349 -3.353 370 1HB LYS 40 HB2 LYS 40 -5.399 11.497 -4.759 371 2HB LYS 40 HB1 LYS 40 -6.661 12.434 -5.544 372 1HG LYS 40 HG2 LYS 40 -4.663 13.696 -4.621 373 2HG LYS 40 HG1 LYS 40 -6.263 14.309 -4.211 374 1HD LYS 40 HD2 LYS 40 -5.850 14.078 -2.027 375 2HD LYS 40 HD1 LYS 40 -5.386 12.397 -2.247 376 1HE LYS 40 HE2 LYS 40 -3.618 13.777 -1.248 377 2HE LYS 40 HE1 LYS 40 -3.160 12.984 -2.746 378 1HZ LYS 40 HZ1 LYS 40 -3.962 15.830 -2.465 379 2HZ LYS 40 HZ2 LYS 40 -3.548 15.074 -3.920 380 3HZ LYS 40 HZ3 LYS 40 -2.385 15.266 -2.709 381 H GLU 41 HN GLU 41 -6.595 9.165 -3.924 382 HA GLU 41 HA GLU 41 -8.719 8.553 -5.835 383 1HB GLU 41 HB2 GLU 41 -7.407 6.762 -6.530 384 2HB GLU 41 HB1 GLU 41 -6.199 7.955 -6.058 385 1HG GLU 41 HG2 GLU 41 -5.324 6.169 -5.005 386 2HG GLU 41 HG1 GLU 41 -6.424 6.705 -3.734 387 H THR 42 HN THR 42 -8.320 8.516 -2.576 388 HA THR 42 HA THR 42 -10.409 6.493 -2.269 389 HB THR 42 HB THR 42 -7.926 6.731 -0.566 390 HG1 THR 42 HG1 THR 42 -8.849 4.758 -2.367 391 1HG2 THR 42 1HG2 THR 42 -9.130 5.850 1.075 392 2HG2 THR 42 2HG2 THR 42 -9.173 4.379 0.105 393 3HG2 THR 42 3HG2 THR 42 -10.499 5.538 0.012 394 H GLU 43 HN GLU 43 -9.809 9.601 -2.096 395 HA GLU 43 HA GLU 43 -10.220 10.636 0.386 396 1HB GLU 43 HB2 GLU 43 -11.832 12.298 -0.953 397 2HB GLU 43 HB1 GLU 43 -10.088 12.347 -1.119 398 1HG GLU 43 HG2 GLU 43 -10.157 11.720 -3.261 399 2HG GLU 43 HG1 GLU 43 -11.386 10.492 -2.960 400 H PHE 44 HN PHE 44 -12.902 9.917 -1.854 401 HA PHE 44 HA PHE 44 -14.743 9.893 0.391 402 1HB PHE 44 HB2 PHE 44 -15.067 10.955 -2.012 403 2HB PHE 44 HB1 PHE 44 -15.619 9.329 -2.405 404 HD1 PHE 44 HD1 PHE 44 -16.584 12.484 -1.206 405 HD2 PHE 44 HD2 PHE 44 -17.395 8.331 -0.761 406 HE1 PHE 44 HE1 PHE 44 -18.803 13.019 -0.287 407 HE2 PHE 44 HE2 PHE 44 -19.615 8.857 0.158 408 HZ PHE 44 HZ PHE 44 -20.322 11.205 0.396 409 H LYS 45 HN LYS 45 -13.171 7.658 -1.781 410 HA LYS 45 HA LYS 45 -14.874 5.497 -1.712 411 1HB LYS 45 HB2 LYS 45 -11.872 5.288 -1.493 412 2HB LYS 45 HB1 LYS 45 -12.977 4.117 -2.203 413 1HG LYS 45 HG2 LYS 45 -12.256 6.835 -3.276 414 2HG LYS 45 HG1 LYS 45 -11.867 5.261 -3.971 415 1HD LYS 45 HD2 LYS 45 -14.129 4.853 -4.545 416 2HD LYS 45 HD1 LYS 45 -14.696 6.203 -3.561 417 1HE LYS 45 HE2 LYS 45 -14.106 7.765 -5.115 418 2HE LYS 45 HE1 LYS 45 -12.772 6.797 -5.740 419 1HZ LYS 45 HZ1 LYS 45 -15.329 5.589 -6.205 420 2HZ LYS 45 HZ2 LYS 45 -14.075 5.910 -7.293 421 3HZ LYS 45 HZ3 LYS 45 -15.200 7.117 -6.921 422 H LYS 46 HN LYS 46 -12.179 6.039 0.562 423 HA LYS 46 HA LYS 46 -12.851 3.864 2.220 424 1HB LYS 46 HB2 LYS 46 -11.243 4.818 3.819 425 2HB LYS 46 HB1 LYS 46 -10.605 4.735 2.185 426 1HG LYS 46 HG2 LYS 46 -9.978 6.844 2.507 427 2HG LYS 46 HG1 LYS 46 -11.675 7.253 2.263 428 1HD LYS 46 HD2 LYS 46 -11.915 7.880 4.395 429 2HD LYS 46 HD1 LYS 46 -11.144 6.410 4.988 430 1HE LYS 46 HE2 LYS 46 -9.293 8.311 3.755 431 2HE LYS 46 HE1 LYS 46 -10.111 8.936 5.186 432 1HZ LYS 46 HZ1 LYS 46 -7.894 7.483 5.288 433 2HZ LYS 46 HZ2 LYS 46 -9.039 6.244 5.403 434 3HZ LYS 46 HZ3 LYS 46 -9.041 7.504 6.532 435 H ILE 47 HN ILE 47 -13.538 7.350 2.631 436 HA ILE 47 HA ILE 47 -14.627 7.173 5.176 437 HB ILE 47 HB ILE 47 -15.675 9.293 4.828 438 1HG1 ILE 47 2HG1 ILE 47 -15.228 8.807 1.878 439 2HG1 ILE 47 1HG1 ILE 47 -16.777 8.938 2.702 440 1HG2 ILE 47 1HG2 ILE 47 -13.787 10.610 4.056 441 2HG2 ILE 47 2HG2 ILE 47 -13.089 9.187 3.285 442 3HG2 ILE 47 3HG2 ILE 47 -13.238 9.254 5.041 443 1HD1 ILE 47 1HD1 ILE 47 -16.571 11.004 1.728 444 2HD1 ILE 47 2HD1 ILE 47 -14.828 11.075 1.993 445 3HD1 ILE 47 3HD1 ILE 47 -15.937 11.305 3.346 446 H LYS 48 HN LYS 48 -16.404 7.068 2.060 447 HA LYS 48 HA LYS 48 -18.931 6.680 3.183 448 1HB LYS 48 HB2 LYS 48 -19.669 6.004 1.023 449 2HB LYS 48 HB1 LYS 48 -18.428 7.223 0.773 450 1HG LYS 48 HG2 LYS 48 -17.569 5.780 -0.691 451 2HG LYS 48 HG1 LYS 48 -16.973 4.913 0.723 452 1HD LYS 48 HD2 LYS 48 -18.091 3.170 -0.158 453 2HD LYS 48 HD1 LYS 48 -19.507 3.952 0.548 454 1HE LYS 48 HE2 LYS 48 -19.985 5.058 -1.550 455 2HE LYS 48 HE1 LYS 48 -18.512 4.402 -2.264 456 1HZ LYS 48 HZ1 LYS 48 -20.433 2.503 -1.151 457 2HZ LYS 48 HZ2 LYS 48 -19.428 2.356 -2.502 458 3HZ LYS 48 HZ3 LYS 48 -20.850 3.266 -2.603 459 H VAL 49 HN VAL 49 -16.353 4.423 2.464 460 HA VAL 49 HA VAL 49 -17.885 2.063 2.937 461 HB VAL 49 HB VAL 49 -14.890 2.460 2.975 462 1HG1 VAL 49 1HG1 VAL 49 -16.605 0.010 3.154 463 2HG1 VAL 49 2HG1 VAL 49 -15.193 0.457 4.111 464 3HG1 VAL 49 3HG1 VAL 49 -14.994 -0.068 2.440 465 1HG2 VAL 49 1HG2 VAL 49 -16.403 2.854 0.841 466 2HG2 VAL 49 2HG2 VAL 49 -16.329 1.093 0.762 467 3HG2 VAL 49 3HG2 VAL 49 -14.842 2.041 0.731 468 H LEU 50 HN LEU 50 -15.684 4.018 4.914 469 HA LEU 50 HA LEU 50 -15.700 2.317 7.168 470 1HB LEU 50 HB2 LEU 50 -15.239 5.297 7.011 471 2HB LEU 50 HB1 LEU 50 -14.871 4.289 8.398 472 HG LEU 50 HG LEU 50 -13.632 3.547 5.800 473 1HD1 LEU 50 1HD1 LEU 50 -11.732 5.139 6.426 474 2HD1 LEU 50 2HD1 LEU 50 -12.933 5.989 7.398 475 3HD1 LEU 50 3HD1 LEU 50 -13.159 5.833 5.656 476 1HD2 LEU 50 1HD2 LEU 50 -12.131 3.711 8.337 477 2HD2 LEU 50 2HD2 LEU 50 -12.141 2.453 7.100 478 3HD2 LEU 50 3HD2 LEU 50 -13.449 2.540 8.282 479 H GLY 51 HN GLY 51 -17.882 4.783 6.029 480 1HA GLY 51 HA2 GLY 51 -19.414 4.656 8.531 481 2HA GLY 51 HA1 GLY 51 -19.632 5.843 7.251 482 H SER 52 HN SER 52 -19.295 2.470 6.508 483 HA SER 52 HA SER 52 -21.737 2.395 5.082 484 1HB SER 52 HB2 SER 52 -19.693 0.981 4.619 485 2HB SER 52 HB1 SER 52 -20.138 0.005 6.018 486 HG SER 52 HG SER 52 -22.186 -0.335 4.943 487 H GLY 53 HN GLY 53 -20.727 0.879 8.146 488 1HA GLY 53 HA2 GLY 53 -23.589 0.688 8.857 489 2HA GLY 53 HA1 GLY 53 -22.468 -0.624 9.189 Start of MODEL 4 1 1H ARG 1 HT1 ARG 1 -18.476 24.413 13.698 2 2H ARG 1 HT2 ARG 1 -20.061 24.043 13.152 3 3H ARG 1 HT3 ARG 1 -19.802 24.519 14.780 4 HA ARG 1 HA ARG 1 -20.663 26.365 13.757 5 1HB ARG 1 HB2 ARG 1 -18.085 26.277 14.806 6 2HB ARG 1 HB1 ARG 1 -17.916 27.246 13.348 7 1HG ARG 1 HG2 ARG 1 -20.220 28.197 14.613 8 2HG ARG 1 HG1 ARG 1 -19.036 27.952 15.899 9 1HD ARG 1 HD2 ARG 1 -17.684 29.597 15.147 10 2HD ARG 1 HD1 ARG 1 -18.019 29.242 13.453 11 HE ARG 1 HE ARG 1 -20.336 30.327 14.322 12 1HH1 ARG 1 1HH1 ARG 1 -17.009 31.365 14.486 13 2HH1 ARG 1 2HH1 ARG 1 -17.402 33.051 14.453 14 1HH2 ARG 1 1HH2 ARG 1 -20.857 32.544 14.277 15 2HH2 ARG 1 2HH2 ARG 1 -19.587 33.720 14.335 16 H ARG 2 HN ARG 2 -17.729 25.574 11.878 17 HA ARG 2 HA ARG 2 -18.699 26.966 9.568 18 1HB ARG 2 HB2 ARG 2 -16.311 25.182 10.036 19 2HB ARG 2 HB1 ARG 2 -16.659 25.920 8.479 20 1HG ARG 2 HG2 ARG 2 -16.785 28.037 10.254 21 2HG ARG 2 HG1 ARG 2 -15.439 27.062 10.844 22 1HD ARG 2 HD2 ARG 2 -15.077 27.099 8.101 23 2HD ARG 2 HD1 ARG 2 -15.634 28.730 8.473 24 HE ARG 2 HE ARG 2 -13.649 29.132 9.546 25 1HH1 ARG 2 1HH1 ARG 2 -13.974 25.700 9.003 26 2HH1 ARG 2 2HH1 ARG 2 -12.352 25.342 9.493 27 1HH2 ARG 2 1HH2 ARG 2 -11.515 28.663 10.191 28 2HH2 ARG 2 2HH2 ARG 2 -10.956 27.023 10.167 29 H ARG 3 HN ARG 3 -18.925 25.940 7.435 30 HA ARG 3 HA ARG 3 -20.185 23.287 7.674 31 1HB ARG 3 HB2 ARG 3 -21.610 25.325 7.044 32 2HB ARG 3 HB1 ARG 3 -20.769 25.288 5.501 33 1HG ARG 3 HG2 ARG 3 -21.591 23.049 5.073 34 2HG ARG 3 HG1 ARG 3 -22.379 23.018 6.652 35 1HD ARG 3 HD2 ARG 3 -24.015 23.523 4.956 36 2HD ARG 3 HD1 ARG 3 -23.757 24.949 5.959 37 HE ARG 3 HE ARG 3 -22.138 24.892 3.583 38 1HH1 ARG 3 1HH1 ARG 3 -25.231 25.801 4.920 39 2HH1 ARG 3 2HH1 ARG 3 -25.539 27.004 3.713 40 1HH2 ARG 3 1HH2 ARG 3 -22.542 26.474 1.996 41 2HH2 ARG 3 2HH2 ARG 3 -24.013 27.386 2.053 42 H HIS 4 HN HIS 4 -17.326 24.057 7.071 43 HA HIS 4 HA HIS 4 -15.634 23.444 5.677 44 1HB HIS 4 HB2 HIS 4 -16.863 21.221 6.263 45 2HB HIS 4 HB1 HIS 4 -17.400 21.275 4.588 46 HD1 HIS 4 HD1 HIS 4 -14.847 22.200 3.197 47 HD2 HIS 4 HD2 HIS 4 -14.923 19.324 6.196 48 HE1 HIS 4 HE1 HIS 4 -12.756 20.840 2.877 49 HE2 HIS 4 HE2 HIS 4 -12.865 19.056 4.652 50 H ILE 5 HN ILE 5 -15.578 25.211 4.302 51 HA ILE 5 HA ILE 5 -17.011 24.901 1.744 52 HB ILE 5 HB ILE 5 -15.908 27.465 2.896 53 1HG1 ILE 5 2HG1 ILE 5 -18.836 27.020 2.679 54 2HG1 ILE 5 1HG1 ILE 5 -18.004 26.161 3.972 55 1HG2 ILE 5 1HG2 ILE 5 -18.034 27.567 0.888 56 2HG2 ILE 5 2HG2 ILE 5 -16.521 26.873 0.304 57 3HG2 ILE 5 3HG2 ILE 5 -16.535 28.491 1.007 58 1HD1 ILE 5 1HD1 ILE 5 -17.423 29.044 3.683 59 2HD1 ILE 5 2HD1 ILE 5 -17.573 28.051 5.134 60 3HD1 ILE 5 3HD1 ILE 5 -19.018 28.591 4.281 61 H VAL 6 HN VAL 6 -13.939 25.835 3.232 62 HA VAL 6 HA VAL 6 -12.536 26.250 0.809 63 HB VAL 6 HB VAL 6 -11.746 27.149 2.954 64 1HG1 VAL 6 1HG1 VAL 6 -11.111 24.278 3.630 65 2HG1 VAL 6 2HG1 VAL 6 -12.345 25.280 4.395 66 3HG1 VAL 6 3HG1 VAL 6 -10.640 25.689 4.578 67 1HG2 VAL 6 1HG2 VAL 6 -10.225 26.547 0.950 68 2HG2 VAL 6 2HG2 VAL 6 -9.620 25.267 2.002 69 3HG2 VAL 6 3HG2 VAL 6 -9.478 26.954 2.495 70 H ARG 7 HN ARG 7 -11.443 24.893 -0.497 71 HA ARG 7 HA ARG 7 -11.757 22.031 -0.013 72 1HB ARG 7 HB2 ARG 7 -10.924 23.599 -2.455 73 2HB ARG 7 HB1 ARG 7 -10.949 21.843 -2.392 74 1HG ARG 7 HG2 ARG 7 -13.292 21.782 -2.168 75 2HG ARG 7 HG1 ARG 7 -13.378 23.507 -1.806 76 1HD ARG 7 HD2 ARG 7 -12.484 22.335 -4.437 77 2HD ARG 7 HD1 ARG 7 -14.102 22.955 -4.108 78 HE ARG 7 HE ARG 7 -12.003 24.849 -3.584 79 1HH1 ARG 7 1HH1 ARG 7 -14.131 23.535 -6.017 80 2HH1 ARG 7 2HH1 ARG 7 -14.057 24.943 -7.022 81 1HH2 ARG 7 1HH2 ARG 7 -11.905 26.703 -4.903 82 2HH2 ARG 7 2HH2 ARG 7 -12.793 26.742 -6.390 83 H LYS 8 HN LYS 8 -10.039 20.564 -0.058 84 HA LYS 8 HA LYS 8 -7.707 21.296 1.253 85 1HB LYS 8 HB2 LYS 8 -6.818 19.076 0.471 86 2HB LYS 8 HB1 LYS 8 -8.380 19.009 1.276 87 1HG LYS 8 HG2 LYS 8 -8.896 19.342 -1.474 88 2HG LYS 8 HG1 LYS 8 -7.653 18.098 -1.328 89 1HD LYS 8 HD2 LYS 8 -9.043 16.641 -0.278 90 2HD LYS 8 HD1 LYS 8 -9.935 17.921 0.546 91 1HE LYS 8 HE2 LYS 8 -10.750 18.471 -1.892 92 2HE LYS 8 HE1 LYS 8 -10.317 16.787 -2.184 93 1HZ LYS 8 HZ1 LYS 8 -11.725 16.390 -0.059 94 2HZ LYS 8 HZ2 LYS 8 -12.499 16.614 -1.546 95 3HZ LYS 8 HZ3 LYS 8 -12.410 17.890 -0.439 96 H ARG 9 HN ARG 9 -8.444 21.328 -2.157 97 HA ARG 9 HA ARG 9 -5.917 21.327 -3.273 98 1HB ARG 9 HB2 ARG 9 -6.923 22.700 -5.103 99 2HB ARG 9 HB1 ARG 9 -7.845 21.262 -4.688 100 1HG ARG 9 HG2 ARG 9 -9.635 22.447 -4.082 101 2HG ARG 9 HG1 ARG 9 -8.668 23.625 -3.193 102 1HD ARG 9 HD2 ARG 9 -9.035 23.555 -6.186 103 2HD ARG 9 HD1 ARG 9 -9.867 24.645 -5.078 104 HE ARG 9 HE ARG 9 -7.262 25.120 -4.555 105 1HH1 ARG 9 1HH1 ARG 9 -9.114 25.047 -7.512 106 2HH1 ARG 9 2HH1 ARG 9 -8.125 26.225 -8.307 107 1HH2 ARG 9 1HH2 ARG 9 -5.959 26.669 -5.600 108 2HH2 ARG 9 2HH2 ARG 9 -6.334 27.146 -7.222 109 H THR 10 HN THR 10 -7.393 23.746 -1.312 110 HA THR 10 HA THR 10 -5.793 25.930 -2.195 111 HB THR 10 HB THR 10 -7.272 25.542 0.404 112 HG1 THR 10 HG1 THR 10 -8.497 25.546 -1.636 113 1HG2 THR 10 1HG2 THR 10 -5.489 27.583 -0.372 114 2HG2 THR 10 2HG2 THR 10 -6.505 27.493 1.068 115 3HG2 THR 10 3HG2 THR 10 -7.123 28.249 -0.401 116 H LEU 11 HN LEU 11 -5.270 23.275 -0.040 117 HA LEU 11 HA LEU 11 -3.408 24.261 1.742 118 1HB LEU 11 HB2 LEU 11 -3.842 21.609 0.462 119 2HB LEU 11 HB1 LEU 11 -2.342 21.859 1.334 120 HG LEU 11 HG LEU 11 -3.518 22.291 3.384 121 1HD1 LEU 11 1HD1 LEU 11 -6.030 22.058 3.421 122 2HD1 LEU 11 2HD1 LEU 11 -5.984 22.220 1.666 123 3HD1 LEU 11 3HD1 LEU 11 -5.403 23.534 2.688 124 1HD2 LEU 11 1HD2 LEU 11 -4.579 19.883 1.917 125 2HD2 LEU 11 2HD2 LEU 11 -4.747 20.141 3.654 126 3HD2 LEU 11 3HD2 LEU 11 -3.144 19.970 2.939 127 H ARG 12 HN ARG 12 -3.152 23.960 -1.648 128 HA ARG 12 HA ARG 12 -0.329 23.787 -1.872 129 1HB ARG 12 HB2 ARG 12 -2.619 24.116 -3.653 130 2HB ARG 12 HB1 ARG 12 -1.208 25.019 -4.188 131 1HG ARG 12 HG2 ARG 12 0.127 23.013 -4.213 132 2HG ARG 12 HG1 ARG 12 -1.208 22.080 -3.533 133 1HD ARG 12 HD2 ARG 12 -2.491 22.987 -5.637 134 2HD ARG 12 HD1 ARG 12 -0.861 23.181 -6.283 135 HE ARG 12 HE ARG 12 -1.378 20.582 -5.161 136 1HH1 ARG 12 1HH1 ARG 12 -1.578 22.559 -8.031 137 2HH1 ARG 12 2HH1 ARG 12 -1.575 21.207 -9.113 138 1HH2 ARG 12 1HH2 ARG 12 -1.371 18.804 -6.583 139 2HH2 ARG 12 2HH2 ARG 12 -1.457 19.075 -8.291 140 H ARG 13 HN ARG 13 -2.524 26.367 -1.232 141 HA ARG 13 HA ARG 13 -0.949 28.533 -2.131 142 1HB ARG 13 HB2 ARG 13 -3.222 28.227 -0.206 143 2HB ARG 13 HB1 ARG 13 -2.347 29.751 -0.269 144 1HG ARG 13 HG2 ARG 13 -3.173 28.701 -2.880 145 2HG ARG 13 HG1 ARG 13 -4.495 29.137 -1.796 146 1HD ARG 13 HD2 ARG 13 -3.811 31.009 -3.239 147 2HD ARG 13 HD1 ARG 13 -3.584 31.364 -1.527 148 HE ARG 13 HE ARG 13 -1.327 31.506 -1.888 149 1HH1 ARG 13 1HH1 ARG 13 -2.818 29.963 -4.640 150 2HH1 ARG 13 2HH1 ARG 13 -1.375 29.991 -5.596 151 1HH2 ARG 13 1HH2 ARG 13 0.572 31.545 -3.142 152 2HH2 ARG 13 2HH2 ARG 13 0.552 30.889 -4.745 153 H LEU 14 HN LEU 14 -1.245 26.934 1.023 154 HA LEU 14 HA LEU 14 0.457 28.596 2.477 155 1HB LEU 14 HB2 LEU 14 -0.530 25.814 2.749 156 2HB LEU 14 HB1 LEU 14 0.881 26.243 3.697 157 HG LEU 14 HG LEU 14 -0.462 28.196 4.595 158 1HD1 LEU 14 1HD1 LEU 14 -2.477 26.889 2.872 159 2HD1 LEU 14 2HD1 LEU 14 -2.294 28.584 3.325 160 3HD1 LEU 14 3HD1 LEU 14 -3.022 27.442 4.456 161 1HD2 LEU 14 1HD2 LEU 14 -0.046 26.217 5.926 162 2HD2 LEU 14 2HD2 LEU 14 -1.400 25.386 5.159 163 3HD2 LEU 14 3HD2 LEU 14 -1.693 26.783 6.194 164 H LEU 15 HN LEU 15 1.223 25.554 0.777 165 HA LEU 15 HA LEU 15 3.990 25.669 1.341 166 1HB LEU 15 HB2 LEU 15 4.174 24.023 -0.575 167 2HB LEU 15 HB1 LEU 15 3.175 23.550 0.785 168 HG LEU 15 HG LEU 15 1.338 24.709 -0.896 169 1HD1 LEU 15 1HD1 LEU 15 2.771 22.943 -2.771 170 2HD1 LEU 15 2HD1 LEU 15 3.463 24.546 -2.527 171 3HD1 LEU 15 3HD1 LEU 15 1.796 24.381 -3.078 172 1HD2 LEU 15 1HD2 LEU 15 0.892 22.243 -1.527 173 2HD2 LEU 15 2HD2 LEU 15 0.771 22.725 0.165 174 3HD2 LEU 15 3HD2 LEU 15 2.212 21.888 -0.411 175 H GLN 16 HN GLN 16 2.255 26.305 -1.713 176 HA GLN 16 HA GLN 16 4.084 27.057 -3.449 177 1HB GLN 16 HB2 GLN 16 1.463 28.275 -2.762 178 2HB GLN 16 HB1 GLN 16 2.479 29.122 -3.919 179 1HG GLN 16 HG2 GLN 16 2.343 26.315 -4.543 180 2HG GLN 16 HG1 GLN 16 0.728 27.014 -4.421 181 1HE2 GLN 16 1HE2 GLN 16 0.367 29.020 -5.655 182 2HE2 GLN 16 2HE2 GLN 16 1.135 29.182 -7.194 183 H GLU 17 HN GLU 17 2.886 29.488 -1.101 184 HA GLU 17 HA GLU 17 4.577 31.550 -1.753 185 1HB GLU 17 HB2 GLU 17 3.127 30.747 0.706 186 2HB GLU 17 HB1 GLU 17 4.390 31.956 0.895 187 1HG GLU 17 HG2 GLU 17 3.311 33.394 -0.711 188 2HG GLU 17 HG1 GLU 17 2.092 32.164 -1.036 189 H ARG 18 HN ARG 18 5.235 28.800 0.358 190 HA ARG 18 HA ARG 18 7.804 29.789 1.148 191 1HB ARG 18 HB2 ARG 18 7.915 27.981 2.571 192 2HB ARG 18 HB1 ARG 18 6.181 28.200 2.407 193 1HG ARG 18 HG2 ARG 18 5.891 26.230 1.347 194 2HG ARG 18 HG1 ARG 18 7.442 26.315 0.512 195 1HD ARG 18 HD2 ARG 18 8.374 24.995 2.035 196 2HD ARG 18 HD1 ARG 18 7.897 26.096 3.325 197 HE ARG 18 HE ARG 18 6.644 23.621 2.615 198 1HH1 ARG 18 1HH1 ARG 18 6.108 26.761 4.042 199 2HH1 ARG 18 2HH1 ARG 18 4.750 26.241 4.981 200 1HH2 ARG 18 1HH2 ARG 18 4.858 22.935 3.851 201 2HH2 ARG 18 2HH2 ARG 18 4.039 24.069 4.873 202 H GLU 19 HN GLU 19 7.161 29.204 -1.791 203 HA GLU 19 HA GLU 19 8.120 28.253 -3.626 204 1HB GLU 19 HB2 GLU 19 10.484 28.680 -3.810 205 2HB GLU 19 HB1 GLU 19 9.722 30.008 -2.949 206 1HG GLU 19 HG2 GLU 19 10.884 27.807 -1.337 207 2HG GLU 19 HG1 GLU 19 11.989 28.913 -2.147 208 H LEU 20 HN LEU 20 7.154 26.180 -2.234 209 HA LEU 20 HA LEU 20 9.130 24.245 -1.522 210 1HB LEU 20 HB2 LEU 20 6.244 24.441 -1.536 211 2HB LEU 20 HB1 LEU 20 6.762 22.886 -2.163 212 HG LEU 20 HG LEU 20 7.537 24.044 0.509 213 1HD1 LEU 20 1HD1 LEU 20 6.202 21.803 1.091 214 2HD1 LEU 20 2HD1 LEU 20 5.363 22.260 -0.391 215 3HD1 LEU 20 3HD1 LEU 20 5.424 23.381 0.969 216 1HD2 LEU 20 1HD2 LEU 20 8.163 21.445 0.673 217 2HD2 LEU 20 2HD2 LEU 20 9.311 22.684 0.165 218 3HD2 LEU 20 3HD2 LEU 20 8.470 21.712 -1.043 219 H VAL 21 HN VAL 21 7.431 25.111 -4.429 220 HA VAL 21 HA VAL 21 8.245 22.756 -5.886 221 HB VAL 21 HB VAL 21 7.299 24.026 -7.858 222 1HG1 VAL 21 1HG1 VAL 21 5.265 23.159 -7.417 223 2HG1 VAL 21 2HG1 VAL 21 5.132 23.986 -5.865 224 3HG1 VAL 21 3HG1 VAL 21 6.081 22.505 -5.997 225 1HG2 VAL 21 1HG2 VAL 21 5.981 25.880 -5.955 226 2HG2 VAL 21 2HG2 VAL 21 6.369 26.096 -7.662 227 3HG2 VAL 21 3HG2 VAL 21 7.636 26.243 -6.445 228 H GLU 22 HN GLU 22 10.567 23.123 -5.382 229 HA GLU 22 HA GLU 22 11.957 24.043 -7.622 230 1HB GLU 22 HB2 GLU 22 11.288 26.131 -5.812 231 2HB GLU 22 HB1 GLU 22 13.019 25.853 -5.677 232 1HG GLU 22 HG2 GLU 22 12.086 25.925 -8.432 233 2HG GLU 22 HG1 GLU 22 11.772 27.418 -7.550 234 HA PRO 23 HA PRO 23 15.131 23.150 -3.940 235 1HB PRO 23 HB2 PRO 23 13.076 21.885 -2.176 236 2HB PRO 23 HB1 PRO 23 14.542 22.768 -1.739 237 1HG PRO 23 HG2 PRO 23 12.138 23.913 -1.545 238 2HG PRO 23 HG1 PRO 23 13.559 24.835 -2.067 239 1HD PRO 23 HD2 PRO 23 11.262 23.831 -3.664 240 2HD PRO 23 HD1 PRO 23 12.271 25.269 -3.911 241 H LEU 24 HN LEU 24 12.430 20.864 -3.564 242 HA LEU 24 HA LEU 24 13.690 18.996 -5.396 243 1HB LEU 24 HB2 LEU 24 13.850 18.770 -2.536 244 2HB LEU 24 HB1 LEU 24 12.917 17.433 -3.179 245 HG LEU 24 HG LEU 24 15.430 17.106 -2.884 246 1HD1 LEU 24 1HD1 LEU 24 13.885 16.483 -5.366 247 2HD1 LEU 24 2HD1 LEU 24 14.332 15.419 -4.031 248 3HD1 LEU 24 3HD1 LEU 24 15.556 15.946 -5.187 249 1HD2 LEU 24 1HD2 LEU 24 16.111 19.252 -3.872 250 2HD2 LEU 24 2HD2 LEU 24 15.499 18.712 -5.436 251 3HD2 LEU 24 3HD2 LEU 24 16.857 17.875 -4.683 252 H THR 25 HN THR 25 10.993 19.666 -3.199 253 HA THR 25 HA THR 25 8.747 19.401 -3.450 254 HB THR 25 HB THR 25 9.034 18.426 -6.259 255 HG1 THR 25 HG1 THR 25 9.470 21.106 -5.441 256 1HG2 THR 25 1HG2 THR 25 7.297 20.599 -6.097 257 2HG2 THR 25 2HG2 THR 25 6.976 19.625 -4.662 258 3HG2 THR 25 3HG2 THR 25 6.875 18.896 -6.264 259 HA PRO 26 HA PRO 26 9.041 14.935 -2.636 260 1HB PRO 26 HB2 PRO 26 7.111 14.891 -0.736 261 2HB PRO 26 HB1 PRO 26 8.770 15.399 -0.401 262 1HG PRO 26 HG2 PRO 26 6.345 17.077 -0.917 263 2HG PRO 26 HG1 PRO 26 7.613 17.288 0.306 264 1HD PRO 26 HD2 PRO 26 7.557 18.703 -2.006 265 2HD PRO 26 HD1 PRO 26 9.070 18.255 -1.193 266 H SER 27 HN SER 27 6.614 16.876 -3.983 267 HA SER 27 HA SER 27 4.630 14.784 -4.232 268 1HB SER 27 HB2 SER 27 3.676 16.656 -5.870 269 2HB SER 27 HB1 SER 27 3.522 16.793 -4.119 270 HG SER 27 HG SER 27 4.374 18.699 -4.720 271 H GLY 28 HN GLY 28 6.860 13.742 -5.285 272 1HA GLY 28 HA2 GLY 28 6.107 13.169 -7.964 273 2HA GLY 28 HA1 GLY 28 7.510 14.229 -7.933 274 H GLU 29 HN GLU 29 6.346 11.031 -7.514 275 HA GLU 29 HA GLU 29 7.397 9.027 -7.283 276 1HB GLU 29 HB2 GLU 29 9.012 10.390 -8.915 277 2HB GLU 29 HB1 GLU 29 10.108 10.225 -7.550 278 1HG GLU 29 HG2 GLU 29 9.385 7.708 -7.682 279 2HG GLU 29 HG1 GLU 29 8.981 8.140 -9.343 280 H ALA 30 HN ALA 30 6.997 10.853 -5.001 281 HA ALA 30 HA ALA 30 8.949 9.627 -3.172 282 1HB ALA 30 HB1 ALA 30 9.571 11.583 -2.275 283 2HB ALA 30 HB2 ALA 30 7.928 12.225 -2.299 284 3HB ALA 30 HB3 ALA 30 8.926 12.297 -3.752 285 HA PRO 31 HA PRO 31 5.874 8.387 -0.260 286 1HB PRO 31 HB2 PRO 31 6.435 10.749 1.479 287 2HB PRO 31 HB1 PRO 31 6.334 9.037 1.907 288 1HG PRO 31 HG2 PRO 31 8.697 10.239 1.687 289 2HG PRO 31 HG1 PRO 31 8.464 8.577 1.112 290 1HD PRO 31 HD2 PRO 31 8.711 11.104 -0.444 291 2HD PRO 31 HD1 PRO 31 9.234 9.461 -0.864 292 H ASN 32 HN ASN 32 5.874 11.931 -0.610 293 HA ASN 32 HA ASN 32 3.372 12.620 0.147 294 1HB ASN 32 HB2 ASN 32 5.382 13.812 -1.361 295 2HB ASN 32 HB1 ASN 32 3.971 13.866 -2.412 296 1HD2 ASN 32 1HD2 ASN 32 1.996 14.086 -0.434 297 2HD2 ASN 32 2HD2 ASN 32 2.137 15.643 0.299 298 H GLN 33 HN GLN 33 4.081 11.854 -3.265 299 HA GLN 33 HA GLN 33 1.481 11.731 -4.176 300 1HB GLN 33 HB2 GLN 33 2.292 10.386 -6.022 301 2HB GLN 33 HB1 GLN 33 3.424 11.678 -5.652 302 1HG GLN 33 HG2 GLN 33 5.062 10.256 -5.079 303 2HG GLN 33 HG1 GLN 33 3.957 9.137 -4.285 304 1HE2 GLN 33 1HE2 GLN 33 5.661 7.767 -5.496 305 2HE2 GLN 33 2HE2 GLN 33 5.183 7.217 -7.063 306 H ALA 34 HN ALA 34 3.124 9.455 -2.179 307 HA ALA 34 HA ALA 34 1.541 7.176 -2.730 308 1HB ALA 34 HB1 ALA 34 3.813 7.532 -1.338 309 2HB ALA 34 HB2 ALA 34 2.758 6.137 -1.116 310 3HB ALA 34 HB3 ALA 34 2.656 7.506 -0.008 311 H LEU 35 HN LEU 35 1.518 9.544 -0.074 312 HA LEU 35 HA LEU 35 -0.997 8.664 0.944 313 1HB LEU 35 HB2 LEU 35 -0.074 11.448 1.437 314 2HB LEU 35 HB1 LEU 35 -0.769 10.288 2.552 315 HG LEU 35 HG LEU 35 1.693 9.183 1.878 316 1HD1 LEU 35 1HD1 LEU 35 1.878 11.832 1.156 317 2HD1 LEU 35 2HD1 LEU 35 3.228 10.763 1.538 318 3HD1 LEU 35 3HD1 LEU 35 2.551 11.809 2.786 319 1HD2 LEU 35 1HD2 LEU 35 1.124 10.903 4.282 320 2HD2 LEU 35 2HD2 LEU 35 2.232 9.536 4.167 321 3HD2 LEU 35 3HD2 LEU 35 0.490 9.269 4.081 322 H LEU 36 HN LEU 36 0.120 11.063 -1.337 323 HA LEU 36 HA LEU 36 -2.273 12.492 -1.630 324 1HB LEU 36 HB2 LEU 36 0.310 12.467 -2.855 325 2HB LEU 36 HB1 LEU 36 -0.912 12.517 -4.114 326 HG LEU 36 HG LEU 36 -1.591 14.402 -2.060 327 1HD1 LEU 36 1HD1 LEU 36 0.464 14.975 -1.363 328 2HD1 LEU 36 2HD1 LEU 36 0.542 15.838 -2.898 329 3HD1 LEU 36 3HD1 LEU 36 1.258 14.233 -2.752 330 1HD2 LEU 36 1HD2 LEU 36 -2.361 15.387 -3.890 331 2HD2 LEU 36 2HD2 LEU 36 -1.564 14.171 -4.887 332 3HD2 LEU 36 3HD2 LEU 36 -0.712 15.653 -4.456 333 H ARG 37 HN ARG 37 -0.952 9.784 -3.566 334 HA ARG 37 HA ARG 37 -3.127 9.560 -5.325 335 1HB ARG 37 HB2 ARG 37 -2.386 7.294 -5.764 336 2HB ARG 37 HB1 ARG 37 -0.976 8.331 -5.607 337 1HG ARG 37 HG2 ARG 37 -0.218 7.245 -3.797 338 2HG ARG 37 HG1 ARG 37 -1.832 7.037 -3.118 339 1HD ARG 37 HD2 ARG 37 -1.793 5.437 -5.403 340 2HD ARG 37 HD1 ARG 37 -0.223 5.188 -4.641 341 HE ARG 37 HE ARG 37 -1.926 4.943 -2.570 342 1HH1 ARG 37 1HH1 ARG 37 -1.851 3.485 -5.741 343 2HH1 ARG 37 2HH1 ARG 37 -2.625 2.025 -5.225 344 1HH2 ARG 37 1HH2 ARG 37 -2.943 3.022 -1.891 345 2HH2 ARG 37 2HH2 ARG 37 -3.246 1.762 -3.039 346 H ILE 38 HN ILE 38 -2.691 8.612 -2.021 347 HA ILE 38 HA ILE 38 -5.071 6.984 -1.936 348 HB ILE 38 HB ILE 38 -3.642 8.283 0.386 349 1HG1 ILE 38 2HG1 ILE 38 -3.213 5.474 -0.592 350 2HG1 ILE 38 1HG1 ILE 38 -2.270 6.817 -1.225 351 1HG2 ILE 38 1HG2 ILE 38 -5.702 6.133 0.116 352 2HG2 ILE 38 2HG2 ILE 38 -5.650 7.502 1.227 353 3HG2 ILE 38 3HG2 ILE 38 -4.583 6.120 1.479 354 1HD1 ILE 38 1HD1 ILE 38 -1.998 5.373 1.261 355 2HD1 ILE 38 2HD1 ILE 38 -2.106 7.113 1.521 356 3HD1 ILE 38 3HD1 ILE 38 -0.865 6.456 0.454 357 H LEU 39 HN LEU 39 -4.190 10.234 -0.797 358 HA LEU 39 HA LEU 39 -6.752 10.951 0.090 359 1HB LEU 39 HB2 LEU 39 -4.408 12.082 0.414 360 2HB LEU 39 HB1 LEU 39 -4.863 12.983 -1.018 361 HG LEU 39 HG LEU 39 -7.085 13.362 0.440 362 1HD1 LEU 39 1HD1 LEU 39 -6.056 13.955 2.774 363 2HD1 LEU 39 2HD1 LEU 39 -4.909 12.682 2.358 364 3HD1 LEU 39 3HD1 LEU 39 -6.634 12.323 2.434 365 1HD2 LEU 39 1HD2 LEU 39 -5.123 14.920 -0.527 366 2HD2 LEU 39 2HD2 LEU 39 -4.853 15.136 1.202 367 3HD2 LEU 39 3HD2 LEU 39 -6.425 15.521 0.500 368 H LYS 40 HN LYS 40 -5.490 10.624 -3.114 369 HA LYS 40 HA LYS 40 -7.607 12.315 -4.236 370 1HB LYS 40 HB2 LYS 40 -5.093 11.090 -5.323 371 2HB LYS 40 HB1 LYS 40 -6.389 11.522 -6.427 372 1HG LYS 40 HG2 LYS 40 -5.304 13.477 -6.514 373 2HG LYS 40 HG1 LYS 40 -6.180 13.805 -5.018 374 1HD LYS 40 HD2 LYS 40 -3.612 12.351 -4.778 375 2HD LYS 40 HD1 LYS 40 -3.527 14.059 -5.226 376 1HE LYS 40 HE2 LYS 40 -5.232 13.169 -2.942 377 2HE LYS 40 HE1 LYS 40 -3.500 13.394 -2.722 378 1HZ LYS 40 HZ1 LYS 40 -5.493 15.339 -2.694 379 2HZ LYS 40 HZ2 LYS 40 -4.551 15.629 -4.068 380 3HZ LYS 40 HZ3 LYS 40 -3.823 15.564 -2.542 381 H GLU 41 HN GLU 41 -6.396 9.013 -4.202 382 HA GLU 41 HA GLU 41 -8.656 8.080 -5.803 383 1HB GLU 41 HB2 GLU 41 -6.423 6.492 -4.553 384 2HB GLU 41 HB1 GLU 41 -7.508 5.963 -5.835 385 1HG GLU 41 HG2 GLU 41 -6.057 8.389 -6.477 386 2HG GLU 41 HG1 GLU 41 -5.007 7.015 -6.145 387 H THR 42 HN THR 42 -8.384 8.953 -2.752 388 HA THR 42 HA THR 42 -10.392 7.059 -1.883 389 HB THR 42 HB THR 42 -7.838 7.475 -0.342 390 HG1 THR 42 HG1 THR 42 -7.410 5.324 -0.937 391 1HG2 THR 42 1HG2 THR 42 -10.349 6.487 0.474 392 2HG2 THR 42 2HG2 THR 42 -8.833 6.533 1.376 393 3HG2 THR 42 3HG2 THR 42 -9.227 5.130 0.382 394 H GLU 43 HN GLU 43 -9.710 10.123 -2.292 395 HA GLU 43 HA GLU 43 -9.931 11.495 0.094 396 1HB GLU 43 HB2 GLU 43 -11.421 13.106 -1.429 397 2HB GLU 43 HB1 GLU 43 -9.682 12.994 -1.618 398 1HG GLU 43 HG2 GLU 43 -9.836 12.075 -3.655 399 2HG GLU 43 HG1 GLU 43 -11.205 11.059 -3.206 400 H PHE 44 HN PHE 44 -12.617 10.559 -2.040 401 HA PHE 44 HA PHE 44 -14.492 10.974 0.147 402 1HB PHE 44 HB2 PHE 44 -14.937 11.887 -2.146 403 2HB PHE 44 HB1 PHE 44 -15.088 10.229 -2.719 404 HD1 PHE 44 HD1 PHE 44 -16.715 12.971 -1.055 405 HD2 PHE 44 HD2 PHE 44 -16.922 8.791 -1.821 406 HE1 PHE 44 HE1 PHE 44 -19.093 12.977 -0.424 407 HE2 PHE 44 HE2 PHE 44 -19.301 8.789 -1.194 408 HZ PHE 44 HZ PHE 44 -20.390 10.884 -0.494 409 H LYS 45 HN LYS 45 -12.846 8.407 -1.443 410 HA LYS 45 HA LYS 45 -14.732 6.354 -1.111 411 1HB LYS 45 HB2 LYS 45 -11.750 5.966 -1.000 412 2HB LYS 45 HB1 LYS 45 -12.969 4.834 -1.566 413 1HG LYS 45 HG2 LYS 45 -12.089 7.379 -2.909 414 2HG LYS 45 HG1 LYS 45 -11.811 5.725 -3.456 415 1HD LYS 45 HD2 LYS 45 -14.243 5.424 -3.711 416 2HD LYS 45 HD1 LYS 45 -14.487 7.102 -3.220 417 1HE LYS 45 HE2 LYS 45 -13.874 7.907 -5.227 418 2HE LYS 45 HE1 LYS 45 -12.562 6.743 -5.403 419 1HZ LYS 45 HZ1 LYS 45 -14.431 5.073 -5.832 420 2HZ LYS 45 HZ2 LYS 45 -14.051 6.166 -7.064 421 3HZ LYS 45 HZ3 LYS 45 -15.413 6.425 -6.097 422 H LYS 46 HN LYS 46 -12.032 7.355 1.000 423 HA LYS 46 HA LYS 46 -12.589 5.370 2.957 424 1HB LYS 46 HB2 LYS 46 -10.957 6.529 4.350 425 2HB LYS 46 HB1 LYS 46 -10.359 6.313 2.714 426 1HG LYS 46 HG2 LYS 46 -10.033 8.488 2.479 427 2HG LYS 46 HG1 LYS 46 -11.693 8.845 2.950 428 1HD LYS 46 HD2 LYS 46 -10.373 8.122 5.316 429 2HD LYS 46 HD1 LYS 46 -9.253 9.171 4.446 430 1HE LYS 46 HE2 LYS 46 -11.084 10.827 4.193 431 2HE LYS 46 HE1 LYS 46 -12.107 9.793 5.189 432 1HZ LYS 46 HZ1 LYS 46 -10.705 11.752 6.212 433 2HZ LYS 46 HZ2 LYS 46 -9.503 10.563 6.266 434 3HZ LYS 46 HZ3 LYS 46 -10.972 10.316 7.067 435 H ILE 47 HN ILE 47 -13.520 8.781 2.675 436 HA ILE 47 HA ILE 47 -14.551 9.014 5.287 437 HB ILE 47 HB ILE 47 -15.877 10.939 4.425 438 1HG1 ILE 47 2HG1 ILE 47 -14.903 11.530 1.977 439 2HG1 ILE 47 1HG1 ILE 47 -14.994 9.778 1.850 440 1HG2 ILE 47 1HG2 ILE 47 -13.954 12.343 3.981 441 2HG2 ILE 47 2HG2 ILE 47 -12.978 10.923 3.604 442 3HG2 ILE 47 3HG2 ILE 47 -13.575 11.172 5.244 443 1HD1 ILE 47 1HD1 ILE 47 -17.418 10.673 2.990 444 2HD1 ILE 47 2HD1 ILE 47 -17.151 9.943 1.407 445 3HD1 ILE 47 3HD1 ILE 47 -17.066 11.694 1.596 446 H LYS 48 HN LYS 48 -16.260 8.338 2.217 447 HA LYS 48 HA LYS 48 -18.813 8.080 3.283 448 1HB LYS 48 HB2 LYS 48 -19.402 6.890 1.282 449 2HB LYS 48 HB1 LYS 48 -18.247 8.144 0.852 450 1HG LYS 48 HG2 LYS 48 -16.470 6.515 0.718 451 2HG LYS 48 HG1 LYS 48 -17.561 5.243 1.270 452 1HD LYS 48 HD2 LYS 48 -18.975 5.693 -0.742 453 2HD LYS 48 HD1 LYS 48 -17.718 6.792 -1.312 454 1HE LYS 48 HE2 LYS 48 -17.413 4.662 -2.375 455 2HE LYS 48 HE1 LYS 48 -16.104 4.908 -1.220 456 1HZ LYS 48 HZ1 LYS 48 -17.282 3.497 0.354 457 2HZ LYS 48 HZ2 LYS 48 -16.978 2.666 -1.087 458 3HZ LYS 48 HZ3 LYS 48 -18.530 3.256 -0.763 459 H VAL 49 HN VAL 49 -16.143 5.830 3.237 460 HA VAL 49 HA VAL 49 -17.699 3.583 4.140 461 HB VAL 49 HB VAL 49 -14.696 3.929 4.122 462 1HG1 VAL 49 1HG1 VAL 49 -14.876 1.358 3.942 463 2HG1 VAL 49 2HG1 VAL 49 -16.506 1.584 4.576 464 3HG1 VAL 49 3HG1 VAL 49 -15.112 2.115 5.517 465 1HG2 VAL 49 1HG2 VAL 49 -16.111 4.094 1.910 466 2HG2 VAL 49 2HG2 VAL 49 -16.163 2.339 2.075 467 3HG2 VAL 49 3HG2 VAL 49 -14.611 3.168 1.962 468 H LEU 50 HN LEU 50 -15.700 6.071 5.596 469 HA LEU 50 HA LEU 50 -15.682 4.825 8.196 470 1HB LEU 50 HB2 LEU 50 -14.848 7.574 7.273 471 2HB LEU 50 HB1 LEU 50 -14.655 6.988 8.915 472 HG LEU 50 HG LEU 50 -13.458 5.398 6.692 473 1HD1 LEU 50 1HD1 LEU 50 -12.900 7.862 6.377 474 2HD1 LEU 50 2HD1 LEU 50 -11.546 6.742 6.516 475 3HD1 LEU 50 3HD1 LEU 50 -12.012 7.737 7.895 476 1HD2 LEU 50 1HD2 LEU 50 -12.772 5.968 9.568 477 2HD2 LEU 50 2HD2 LEU 50 -11.713 5.081 8.473 478 3HD2 LEU 50 3HD2 LEU 50 -13.310 4.443 8.863 479 H GLY 51 HN GLY 51 -17.596 7.199 6.499 480 1HA GLY 51 HA2 GLY 51 -19.049 7.863 8.960 481 2HA GLY 51 HA1 GLY 51 -19.171 8.720 7.430 482 H SER 52 HN SER 52 -19.289 5.242 7.599 483 HA SER 52 HA SER 52 -21.683 5.056 6.156 484 1HB SER 52 HB2 SER 52 -19.920 3.262 6.391 485 2HB SER 52 HB1 SER 52 -20.572 2.927 7.994 486 HG SER 52 HG SER 52 -21.729 2.508 5.472 487 H GLY 53 HN GLY 53 -21.051 5.273 9.583 488 1HA GLY 53 HA2 GLY 53 -22.718 6.121 11.075 489 2HA GLY 53 HA1 GLY 53 -23.953 5.421 10.038 Start of MODEL 5 1 1H ARG 1 HT1 ARG 1 1.887 -19.743 11.532 2 2H ARG 1 HT2 ARG 1 0.651 -20.226 12.621 3 3H ARG 1 HT3 ARG 1 0.402 -18.889 11.575 4 HA ARG 1 HA ARG 1 0.521 -21.745 10.944 5 1HB ARG 1 HB2 ARG 1 -1.415 -19.502 10.326 6 2HB ARG 1 HB1 ARG 1 -1.614 -21.176 9.830 7 1HG ARG 1 HG2 ARG 1 -1.175 -21.034 12.663 8 2HG ARG 1 HG1 ARG 1 -2.503 -19.972 12.192 9 1HD ARG 1 HD2 ARG 1 -3.712 -21.749 11.221 10 2HD ARG 1 HD1 ARG 1 -2.311 -22.819 11.248 11 HE ARG 1 HE ARG 1 -2.792 -22.191 13.875 12 1HH1 ARG 1 1HH1 ARG 1 -4.612 -23.660 11.283 13 2HH1 ARG 1 2HH1 ARG 1 -5.559 -24.649 12.342 14 1HH2 ARG 1 1HH2 ARG 1 -4.039 -23.491 15.269 15 2HH2 ARG 1 2HH2 ARG 1 -5.236 -24.553 14.604 16 H ARG 2 HN ARG 2 1.103 -18.510 9.720 17 HA ARG 2 HA ARG 2 1.596 -19.543 7.030 18 1HB ARG 2 HB2 ARG 2 1.654 -16.693 8.041 19 2HB ARG 2 HB1 ARG 2 1.759 -17.198 6.360 20 1HG ARG 2 HG2 ARG 2 -0.551 -18.376 7.024 21 2HG ARG 2 HG1 ARG 2 -0.581 -17.015 8.146 22 1HD ARG 2 HD2 ARG 2 -0.979 -15.539 6.512 23 2HD ARG 2 HD1 ARG 2 0.229 -16.260 5.449 24 HE ARG 2 HE ARG 2 -1.468 -17.308 4.359 25 1HH1 ARG 2 1HH1 ARG 2 -2.566 -16.546 7.582 26 2HH1 ARG 2 2HH1 ARG 2 -4.173 -17.127 7.307 27 1HH2 ARG 2 1HH2 ARG 2 -3.582 -18.073 3.995 28 2HH2 ARG 2 2HH2 ARG 2 -4.751 -17.995 5.271 29 H ARG 3 HN ARG 3 3.578 -19.259 5.953 30 HA ARG 3 HA ARG 3 5.876 -18.963 7.767 31 1HB ARG 3 HB2 ARG 3 5.295 -21.093 6.222 32 2HB ARG 3 HB1 ARG 3 6.257 -20.162 5.083 33 1HG ARG 3 HG2 ARG 3 8.151 -20.211 6.493 34 2HG ARG 3 HG1 ARG 3 7.206 -20.808 7.859 35 1HD ARG 3 HD2 ARG 3 6.735 -22.866 6.488 36 2HD ARG 3 HD1 ARG 3 7.930 -22.276 5.333 37 HE ARG 3 HE ARG 3 9.275 -22.251 7.678 38 1HH1 ARG 3 1HH1 ARG 3 7.413 -24.695 6.025 39 2HH1 ARG 3 2HH1 ARG 3 8.338 -26.011 6.664 40 1HH2 ARG 3 1HH2 ARG 3 10.494 -23.981 8.521 41 2HH2 ARG 3 2HH2 ARG 3 10.087 -25.606 8.083 42 H HIS 4 HN HIS 4 4.434 -16.766 6.446 43 HA HIS 4 HA HIS 4 4.913 -14.790 5.434 44 1HB HIS 4 HB2 HIS 4 7.594 -15.847 6.144 45 2HB HIS 4 HB1 HIS 4 7.548 -14.539 4.967 46 HD1 HIS 4 HD1 HIS 4 5.119 -13.013 6.307 47 HD2 HIS 4 HD2 HIS 4 8.544 -14.341 8.249 48 HE1 HIS 4 HE1 HIS 4 5.330 -11.573 8.358 49 HE2 HIS 4 HE2 HIS 4 7.458 -12.336 9.470 50 H ILE 5 HN ILE 5 7.548 -16.647 3.959 51 HA ILE 5 HA ILE 5 7.910 -17.371 1.826 52 HB ILE 5 HB ILE 5 5.060 -16.631 1.174 53 1HG1 ILE 5 2HG1 ILE 5 5.707 -19.455 1.716 54 2HG1 ILE 5 1HG1 ILE 5 5.751 -18.408 3.130 55 1HG2 ILE 5 1HG2 ILE 5 6.773 -18.759 -0.073 56 2HG2 ILE 5 2HG2 ILE 5 6.737 -17.099 -0.666 57 3HG2 ILE 5 3HG2 ILE 5 5.266 -18.071 -0.676 58 1HD1 ILE 5 1HD1 ILE 5 3.413 -18.534 1.251 59 2HD1 ILE 5 2HD1 ILE 5 3.485 -17.790 2.848 60 3HD1 ILE 5 3HD1 ILE 5 3.566 -19.544 2.688 61 H VAL 6 HN VAL 6 5.631 -14.634 1.579 62 HA VAL 6 HA VAL 6 7.278 -13.422 -0.479 63 HB VAL 6 HB VAL 6 4.729 -12.393 0.772 64 1HG1 VAL 6 1HG1 VAL 6 4.610 -11.121 -1.414 65 2HG1 VAL 6 2HG1 VAL 6 6.297 -11.572 -1.663 66 3HG1 VAL 6 3HG1 VAL 6 5.843 -10.586 -0.272 67 1HG2 VAL 6 1HG2 VAL 6 4.737 -13.551 -1.950 68 2HG2 VAL 6 2HG2 VAL 6 3.492 -13.590 -0.703 69 3HG2 VAL 6 3HG2 VAL 6 4.872 -14.682 -0.605 70 H ARG 7 HN ARG 7 6.184 -12.675 2.812 71 HA ARG 7 HA ARG 7 7.410 -10.159 3.029 72 1HB ARG 7 HB2 ARG 7 6.196 -12.116 4.857 73 2HB ARG 7 HB1 ARG 7 7.425 -11.100 5.599 74 1HG ARG 7 HG2 ARG 7 5.777 -9.640 5.917 75 2HG ARG 7 HG1 ARG 7 5.941 -9.280 4.198 76 1HD ARG 7 HD2 ARG 7 4.251 -11.035 3.725 77 2HD ARG 7 HD1 ARG 7 4.034 -11.245 5.462 78 HE ARG 7 HE ARG 7 3.669 -8.539 4.827 79 1HH1 ARG 7 1HH1 ARG 7 2.114 -11.626 4.344 80 2HH1 ARG 7 2HH1 ARG 7 0.523 -10.950 4.247 81 1HH2 ARG 7 1HH2 ARG 7 1.577 -7.649 4.701 82 2HH2 ARG 7 2HH2 ARG 7 0.218 -8.691 4.449 83 H LYS 8 HN LYS 8 8.601 -13.412 3.720 84 HA LYS 8 HA LYS 8 10.979 -12.745 5.005 85 1HB LYS 8 HB2 LYS 8 11.811 -14.958 4.162 86 2HB LYS 8 HB1 LYS 8 10.265 -15.022 4.997 87 1HG LYS 8 HG2 LYS 8 9.651 -16.268 3.241 88 2HG LYS 8 HG1 LYS 8 9.434 -14.707 2.447 89 1HD LYS 8 HD2 LYS 8 10.716 -16.196 1.024 90 2HD LYS 8 HD1 LYS 8 11.730 -14.859 1.570 91 1HE LYS 8 HE2 LYS 8 13.204 -16.371 2.266 92 2HE LYS 8 HE1 LYS 8 12.043 -16.838 3.507 93 1HZ LYS 8 HZ1 LYS 8 12.575 -18.104 0.901 94 2HZ LYS 8 HZ2 LYS 8 11.072 -18.309 1.650 95 3HZ LYS 8 HZ3 LYS 8 12.483 -18.815 2.434 96 H ARG 9 HN ARG 9 10.232 -12.938 1.558 97 HA ARG 9 HA ARG 9 12.971 -12.309 0.832 98 1HB ARG 9 HB2 ARG 9 12.214 -12.535 -1.466 99 2HB ARG 9 HB1 ARG 9 11.673 -13.910 -0.514 100 1HG ARG 9 HG2 ARG 9 9.478 -13.337 -0.672 101 2HG ARG 9 HG1 ARG 9 9.821 -11.611 -0.789 102 1HD ARG 9 HD2 ARG 9 10.537 -13.524 -2.989 103 2HD ARG 9 HD1 ARG 9 8.937 -12.797 -2.875 104 HE ARG 9 HE ARG 9 9.872 -10.698 -3.345 105 1HH1 ARG 9 1HH1 ARG 9 12.300 -13.216 -3.323 106 2HH1 ARG 9 2HH1 ARG 9 13.473 -12.255 -4.157 107 1HH2 ARG 9 1HH2 ARG 9 11.419 -9.445 -4.438 108 2HH2 ARG 9 2HH2 ARG 9 12.976 -10.119 -4.788 109 H THR 10 HN THR 10 10.036 -10.628 1.445 110 HA THR 10 HA THR 10 10.563 -8.355 -0.196 111 HB THR 10 HB THR 10 8.360 -9.273 1.106 112 HG1 THR 10 HG1 THR 10 8.756 -6.561 0.399 113 1HG2 THR 10 1HG2 THR 10 9.292 -6.889 2.690 114 2HG2 THR 10 2HG2 THR 10 9.029 -8.521 3.303 115 3HG2 THR 10 3HG2 THR 10 7.665 -7.569 2.721 116 H LEU 11 HN LEU 11 10.905 -9.010 3.287 117 HA LEU 11 HA LEU 11 11.815 -6.588 4.181 118 1HB LEU 11 HB2 LEU 11 13.177 -7.916 5.845 119 2HB LEU 11 HB1 LEU 11 11.465 -8.291 5.775 120 HG LEU 11 HG LEU 11 12.323 -10.162 4.086 121 1HD1 LEU 11 1HD1 LEU 11 14.469 -10.852 4.316 122 2HD1 LEU 11 2HD1 LEU 11 14.588 -10.295 5.985 123 3HD1 LEU 11 3HD1 LEU 11 14.716 -9.140 4.658 124 1HD2 LEU 11 1HD2 LEU 11 12.673 -11.583 6.267 125 2HD2 LEU 11 2HD2 LEU 11 11.086 -10.934 5.853 126 3HD2 LEU 11 3HD2 LEU 11 12.086 -10.118 7.055 127 H ARG 12 HN ARG 12 13.470 -8.925 2.217 128 HA ARG 12 HA ARG 12 16.103 -8.123 2.563 129 1HB ARG 12 HB2 ARG 12 14.719 -9.892 0.893 130 2HB ARG 12 HB1 ARG 12 15.553 -8.798 -0.201 131 1HG ARG 12 HG2 ARG 12 16.869 -10.801 0.313 132 2HG ARG 12 HG1 ARG 12 17.674 -9.318 0.828 133 1HD ARG 12 HD2 ARG 12 15.989 -10.387 2.921 134 2HD ARG 12 HD1 ARG 12 17.165 -11.579 2.373 135 HE ARG 12 HE ARG 12 17.695 -9.171 3.844 136 1HH1 ARG 12 1HH1 ARG 12 19.043 -11.530 1.653 137 2HH1 ARG 12 2HH1 ARG 12 20.680 -11.220 2.127 138 1HH2 ARG 12 1HH2 ARG 12 19.846 -8.760 4.467 139 2HH2 ARG 12 2HH2 ARG 12 21.136 -9.647 3.725 140 H ARG 13 HN ARG 13 13.496 -6.580 0.900 141 HA ARG 13 HA ARG 13 15.185 -4.805 -0.622 142 1HB ARG 13 HB2 ARG 13 13.252 -4.022 -1.608 143 2HB ARG 13 HB1 ARG 13 12.734 -5.631 -1.129 144 1HG ARG 13 HG2 ARG 13 11.659 -4.695 0.858 145 2HG ARG 13 HG1 ARG 13 12.178 -3.080 0.374 146 1HD ARG 13 HD2 ARG 13 10.805 -3.126 -1.561 147 2HD ARG 13 HD1 ARG 13 10.482 -4.849 -1.371 148 HE ARG 13 HE ARG 13 9.578 -3.486 0.913 149 1HH1 ARG 13 1HH1 ARG 13 8.802 -3.860 -2.469 150 2HH1 ARG 13 2HH1 ARG 13 7.113 -3.552 -2.245 151 1HH2 ARG 13 1HH2 ARG 13 7.356 -3.082 1.210 152 2HH2 ARG 13 2HH2 ARG 13 6.292 -3.109 -0.156 153 H LEU 14 HN LEU 14 13.102 -4.607 2.215 154 HA LEU 14 HA LEU 14 13.455 -1.913 2.845 155 1HB LEU 14 HB2 LEU 14 12.931 -4.328 4.561 156 2HB LEU 14 HB1 LEU 14 13.052 -2.720 5.249 157 HG LEU 14 HG LEU 14 11.164 -3.039 2.990 158 1HD1 LEU 14 1HD1 LEU 14 10.503 -5.012 4.030 159 2HD1 LEU 14 2HD1 LEU 14 9.433 -3.799 4.732 160 3HD1 LEU 14 3HD1 LEU 14 10.824 -4.381 5.646 161 1HD2 LEU 14 1HD2 LEU 14 9.844 -1.717 4.889 162 2HD2 LEU 14 2HD2 LEU 14 10.996 -0.931 3.810 163 3HD2 LEU 14 3HD2 LEU 14 11.491 -1.404 5.435 164 H LEU 15 HN LEU 15 15.386 -4.742 3.714 165 HA LEU 15 HA LEU 15 17.263 -3.250 5.282 166 1HB LEU 15 HB2 LEU 15 17.699 -5.983 4.106 167 2HB LEU 15 HB1 LEU 15 18.441 -5.294 5.538 168 HG LEU 15 HG LEU 15 15.494 -5.545 5.604 169 1HD1 LEU 15 1HD1 LEU 15 16.186 -7.640 4.500 170 2HD1 LEU 15 2HD1 LEU 15 15.529 -7.903 6.116 171 3HD1 LEU 15 3HD1 LEU 15 17.273 -7.966 5.850 172 1HD2 LEU 15 1HD2 LEU 15 17.008 -4.708 7.454 173 2HD2 LEU 15 2HD2 LEU 15 17.557 -6.375 7.627 174 3HD2 LEU 15 3HD2 LEU 15 15.860 -5.973 7.893 175 H GLN 16 HN GLN 16 16.883 -3.970 1.943 176 HA GLN 16 HA GLN 16 19.670 -3.429 1.305 177 1HB GLN 16 HB2 GLN 16 17.293 -4.398 -0.215 178 2HB GLN 16 HB1 GLN 16 18.591 -3.617 -1.109 179 1HG GLN 16 HG2 GLN 16 19.074 -5.906 0.770 180 2HG GLN 16 HG1 GLN 16 18.683 -6.133 -0.933 181 1HE2 GLN 16 1HE2 GLN 16 20.740 -7.175 -1.110 182 2HE2 GLN 16 2HE2 GLN 16 22.179 -6.234 -1.272 183 H GLU 17 HN GLU 17 16.650 -1.772 1.463 184 HA GLU 17 HA GLU 17 17.516 0.404 -0.249 185 1HB GLU 17 HB2 GLU 17 15.035 -0.620 0.527 186 2HB GLU 17 HB1 GLU 17 15.137 0.948 1.316 187 1HG GLU 17 HG2 GLU 17 15.099 2.096 -0.643 188 2HG GLU 17 HG1 GLU 17 15.893 0.806 -1.543 189 H ARG 18 HN ARG 18 17.976 -0.470 2.954 190 HA ARG 18 HA ARG 18 17.682 1.785 4.474 191 1HB ARG 18 HB2 ARG 18 19.438 0.941 5.903 192 2HB ARG 18 HB1 ARG 18 18.480 -0.408 5.308 193 1HG ARG 18 HG2 ARG 18 20.173 -1.050 3.778 194 2HG ARG 18 HG1 ARG 18 21.078 0.440 4.056 195 1HD ARG 18 HD2 ARG 18 20.515 -1.535 6.251 196 2HD ARG 18 HD1 ARG 18 21.927 -1.670 5.204 197 HE ARG 18 HE ARG 18 21.798 0.930 6.273 198 1HH1 ARG 18 1HH1 ARG 18 22.464 -2.355 7.247 199 2HH1 ARG 18 2HH1 ARG 18 23.523 -1.890 8.536 200 1HH2 ARG 18 1HH2 ARG 18 23.191 1.543 7.967 201 2HH2 ARG 18 2HH2 ARG 18 23.935 0.323 8.945 202 H GLU 19 HN GLU 19 20.019 1.216 1.958 203 HA GLU 19 HA GLU 19 21.703 3.435 2.689 204 1HB GLU 19 HB2 GLU 19 21.718 1.305 0.671 205 2HB GLU 19 HB1 GLU 19 22.346 2.839 0.086 206 1HG GLU 19 HG2 GLU 19 23.365 2.061 2.711 207 2HG GLU 19 HG1 GLU 19 23.783 0.946 1.412 208 H LEU 20 HN LEU 20 19.296 2.771 0.168 209 HA LEU 20 HA LEU 20 18.919 5.662 -0.128 210 1HB LEU 20 HB2 LEU 20 18.916 3.887 -2.546 211 2HB LEU 20 HB1 LEU 20 19.030 5.635 -2.467 212 HG LEU 20 HG LEU 20 21.304 4.903 -1.152 213 1HD1 LEU 20 1HD1 LEU 20 20.720 2.509 -1.807 214 2HD1 LEU 20 2HD1 LEU 20 22.348 3.078 -2.179 215 3HD1 LEU 20 3HD1 LEU 20 21.132 2.988 -3.454 216 1HD2 LEU 20 1HD2 LEU 20 20.654 5.693 -3.940 217 2HD2 LEU 20 2HD2 LEU 20 22.305 5.182 -3.584 218 3HD2 LEU 20 3HD2 LEU 20 21.595 6.540 -2.712 219 H VAL 21 HN VAL 21 16.936 5.745 0.785 220 HA VAL 21 HA VAL 21 14.771 4.445 -0.672 221 HB VAL 21 HB VAL 21 15.258 2.900 1.168 222 1HG1 VAL 21 1HG1 VAL 21 16.147 4.713 2.694 223 2HG1 VAL 21 2HG1 VAL 21 15.129 3.485 3.448 224 3HG1 VAL 21 3HG1 VAL 21 14.466 5.077 3.081 225 1HG2 VAL 21 1HG2 VAL 21 12.725 4.119 2.077 226 2HG2 VAL 21 2HG2 VAL 21 13.076 2.464 1.578 227 3HG2 VAL 21 3HG2 VAL 21 12.840 3.721 0.363 228 H GLU 22 HN GLU 22 15.514 6.588 2.092 229 HA GLU 22 HA GLU 22 13.132 8.155 1.436 230 1HB GLU 22 HB2 GLU 22 14.575 7.548 3.896 231 2HB GLU 22 HB1 GLU 22 14.247 9.267 3.721 232 1HG GLU 22 HG2 GLU 22 11.954 8.967 3.751 233 2HG GLU 22 HG1 GLU 22 12.070 7.269 3.291 234 HA PRO 23 HA PRO 23 16.734 11.487 1.660 235 1HB PRO 23 HB2 PRO 23 19.009 9.692 0.999 236 2HB PRO 23 HB1 PRO 23 18.951 11.082 2.087 237 1HG PRO 23 HG2 PRO 23 19.015 8.604 3.056 238 2HG PRO 23 HG1 PRO 23 18.016 9.855 3.819 239 1HD PRO 23 HD2 PRO 23 17.201 7.607 2.026 240 2HD PRO 23 HD1 PRO 23 16.376 8.268 3.453 241 H LEU 24 HN LEU 24 16.646 8.715 -0.469 242 HA LEU 24 HA LEU 24 17.365 10.393 -2.763 243 1HB LEU 24 HB2 LEU 24 18.520 8.220 -2.465 244 2HB LEU 24 HB1 LEU 24 16.976 7.403 -2.620 245 HG LEU 24 HG LEU 24 17.681 9.200 -4.854 246 1HD1 LEU 24 1HD1 LEU 24 19.774 7.785 -3.977 247 2HD1 LEU 24 2HD1 LEU 24 19.471 8.097 -5.685 248 3HD1 LEU 24 3HD1 LEU 24 18.994 6.556 -4.972 249 1HD2 LEU 24 1HD2 LEU 24 15.781 7.316 -4.402 250 2HD2 LEU 24 2HD2 LEU 24 16.981 6.384 -5.297 251 3HD2 LEU 24 3HD2 LEU 24 16.300 7.851 -6.000 252 H THR 25 HN THR 25 15.032 7.743 -2.242 253 HA THR 25 HA THR 25 12.942 7.392 -3.086 254 HB THR 25 HB THR 25 11.403 9.394 -2.852 255 HG1 THR 25 HG1 THR 25 12.237 11.239 -1.988 256 1HG2 THR 25 1HG2 THR 25 11.620 7.878 -0.996 257 2HG2 THR 25 2HG2 THR 25 11.572 9.541 -0.408 258 3HG2 THR 25 3HG2 THR 25 13.106 8.675 -0.481 259 HA PRO 26 HA PRO 26 13.653 8.902 -7.326 260 1HB PRO 26 HB2 PRO 26 13.353 6.569 -8.583 261 2HB PRO 26 HB1 PRO 26 14.827 6.933 -7.677 262 1HG PRO 26 HG2 PRO 26 12.498 5.231 -6.904 263 2HG PRO 26 HG1 PRO 26 14.226 4.963 -6.619 264 1HD PRO 26 HD2 PRO 26 12.431 5.997 -4.762 265 2HD PRO 26 HD1 PRO 26 14.195 6.164 -4.685 266 H SER 27 HN SER 27 11.195 9.365 -6.009 267 HA SER 27 HA SER 27 8.956 9.614 -6.354 268 1HB SER 27 HB2 SER 27 9.224 9.327 -9.292 269 2HB SER 27 HB1 SER 27 8.485 10.619 -8.346 270 HG SER 27 HG SER 27 10.755 11.146 -7.762 271 H GLY 28 HN GLY 28 9.472 7.053 -5.672 272 1HA GLY 28 HA2 GLY 28 7.581 5.561 -7.376 273 2HA GLY 28 HA1 GLY 28 9.062 4.808 -6.804 274 H GLU 29 HN GLU 29 9.322 4.505 -4.498 275 HA GLU 29 HA GLU 29 6.748 3.946 -3.226 276 1HB GLU 29 HB2 GLU 29 8.207 2.658 -1.591 277 2HB GLU 29 HB1 GLU 29 8.148 2.041 -3.236 278 1HG GLU 29 HG2 GLU 29 10.305 3.949 -2.786 279 2HG GLU 29 HG1 GLU 29 10.413 2.505 -1.781 280 H ALA 30 HN ALA 30 7.521 6.649 -3.341 281 HA ALA 30 HA ALA 30 8.605 7.351 -0.742 282 1HB ALA 30 HB1 ALA 30 7.456 9.469 -2.433 283 2HB ALA 30 HB2 ALA 30 8.792 8.562 -3.143 284 3HB ALA 30 HB3 ALA 30 9.010 9.394 -1.602 285 HA PRO 31 HA PRO 31 4.795 8.001 1.364 286 1HB PRO 31 HB2 PRO 31 5.234 10.296 2.754 287 2HB PRO 31 HB1 PRO 31 5.978 8.751 3.181 288 1HG PRO 31 HG2 PRO 31 7.136 11.065 1.682 289 2HG PRO 31 HG1 PRO 31 7.888 10.036 2.913 290 1HD PRO 31 HD2 PRO 31 8.337 9.727 0.250 291 2HD PRO 31 HD1 PRO 31 8.392 8.379 1.403 292 H ASN 32 HN ASN 32 5.985 11.126 0.117 293 HA ASN 32 HA ASN 32 3.713 12.585 -0.020 294 1HB ASN 32 HB2 ASN 32 6.201 12.505 -1.571 295 2HB ASN 32 HB1 ASN 32 4.850 13.234 -2.432 296 1HD2 ASN 32 1HD2 ASN 32 6.430 13.298 0.740 297 2HD2 ASN 32 2HD2 ASN 32 6.257 15.000 0.982 298 H GLN 33 HN GLN 33 4.816 10.569 -2.766 299 HA GLN 33 HA GLN 33 2.542 10.856 -4.331 300 1HB GLN 33 HB2 GLN 33 3.252 8.908 -5.537 301 2HB GLN 33 HB1 GLN 33 4.670 9.846 -5.092 302 1HG GLN 33 HG2 GLN 33 5.536 7.979 -4.276 303 2HG GLN 33 HG1 GLN 33 4.332 8.067 -2.991 304 1HE2 GLN 33 1HE2 GLN 33 3.213 6.287 -2.721 305 2HE2 GLN 33 2HE2 GLN 33 2.827 5.123 -3.937 306 H ALA 34 HN ALA 34 3.020 8.953 -1.480 307 HA ALA 34 HA ALA 34 0.906 7.105 -1.867 308 1HB ALA 34 HB1 ALA 34 2.874 7.378 -0.007 309 2HB ALA 34 HB2 ALA 34 1.476 6.315 0.165 310 3HB ALA 34 HB3 ALA 34 1.463 7.918 0.903 311 H LEU 35 HN LEU 35 1.110 10.056 0.111 312 HA LEU 35 HA LEU 35 -1.679 10.185 0.618 313 1HB LEU 35 HB2 LEU 35 0.193 12.540 0.633 314 2HB LEU 35 HB1 LEU 35 -1.272 12.320 1.571 315 HG LEU 35 HG LEU 35 0.841 10.321 2.047 316 1HD1 LEU 35 1HD1 LEU 35 1.784 12.828 1.801 317 2HD1 LEU 35 2HD1 LEU 35 2.434 11.644 2.936 318 3HD1 LEU 35 3HD1 LEU 35 1.273 12.852 3.489 319 1HD2 LEU 35 1HD2 LEU 35 0.107 11.231 4.448 320 2HD2 LEU 35 2HD2 LEU 35 -0.826 10.031 3.554 321 3HD2 LEU 35 3HD2 LEU 35 -1.305 11.728 3.516 322 H LEU 36 HN LEU 36 0.347 11.161 -2.003 323 HA LEU 36 HA LEU 36 -1.252 13.154 -3.142 324 1HB LEU 36 HB2 LEU 36 1.068 11.620 -3.901 325 2HB LEU 36 HB1 LEU 36 -0.001 11.851 -5.273 326 HG LEU 36 HG LEU 36 0.730 14.205 -3.587 327 1HD1 LEU 36 1HD1 LEU 36 2.446 13.345 -5.887 328 2HD1 LEU 36 2HD1 LEU 36 2.803 12.835 -4.236 329 3HD1 LEU 36 3HD1 LEU 36 2.776 14.551 -4.643 330 1HD2 LEU 36 1HD2 LEU 36 0.157 13.827 -6.524 331 2HD2 LEU 36 2HD2 LEU 36 0.482 15.366 -5.727 332 3HD2 LEU 36 3HD2 LEU 36 -0.968 14.450 -5.317 333 H ARG 37 HN ARG 37 -1.155 9.629 -3.889 334 HA ARG 37 HA ARG 37 -3.677 10.008 -5.337 335 1HB ARG 37 HB2 ARG 37 -3.163 7.812 -6.356 336 2HB ARG 37 HB1 ARG 37 -1.913 9.016 -6.653 337 1HG ARG 37 HG2 ARG 37 -0.366 7.908 -5.453 338 2HG ARG 37 HG1 ARG 37 -1.540 7.344 -4.261 339 1HD ARG 37 HD2 ARG 37 -2.299 5.614 -5.738 340 2HD ARG 37 HD1 ARG 37 -1.328 6.252 -7.064 341 HE ARG 37 HE ARG 37 0.508 5.195 -6.190 342 1HH1 ARG 37 1HH1 ARG 37 -2.032 5.228 -3.798 343 2HH1 ARG 37 2HH1 ARG 37 -1.200 4.159 -2.719 344 1HH2 ARG 37 1HH2 ARG 37 1.604 3.789 -4.773 345 2HH2 ARG 37 2HH2 ARG 37 0.865 3.343 -3.271 346 H ILE 38 HN ILE 38 -2.633 8.824 -2.309 347 HA ILE 38 HA ILE 38 -4.554 6.682 -2.192 348 HB ILE 38 HB ILE 38 -2.859 7.973 -0.056 349 1HG1 ILE 38 2HG1 ILE 38 -2.735 5.150 -1.097 350 2HG1 ILE 38 1HG1 ILE 38 -1.870 6.463 -1.890 351 1HG2 ILE 38 1HG2 ILE 38 -3.572 6.002 1.344 352 2HG2 ILE 38 2HG2 ILE 38 -4.856 5.732 0.165 353 3HG2 ILE 38 3HG2 ILE 38 -4.805 7.237 1.084 354 1HD1 ILE 38 1HD1 ILE 38 -0.260 5.598 -0.508 355 2HD1 ILE 38 2HD1 ILE 38 -1.407 5.227 0.779 356 3HD1 ILE 38 3HD1 ILE 38 -0.915 6.896 0.491 357 H LEU 39 HN LEU 39 -4.265 9.829 -0.541 358 HA LEU 39 HA LEU 39 -6.975 9.667 0.406 359 1HB LEU 39 HB2 LEU 39 -5.581 10.801 1.880 360 2HB LEU 39 HB1 LEU 39 -4.793 11.706 0.606 361 HG LEU 39 HG LEU 39 -6.848 13.055 0.318 362 1HD1 LEU 39 1HD1 LEU 39 -8.167 11.035 1.499 363 2HD1 LEU 39 2HD1 LEU 39 -8.781 12.686 1.416 364 3HD1 LEU 39 3HD1 LEU 39 -7.971 12.118 2.877 365 1HD2 LEU 39 1HD2 LEU 39 -5.155 13.977 1.709 366 2HD2 LEU 39 2HD2 LEU 39 -5.616 12.943 3.062 367 3HD2 LEU 39 3HD2 LEU 39 -6.695 14.232 2.530 368 H LYS 40 HN LYS 40 -5.608 10.501 -2.537 369 HA LYS 40 HA LYS 40 -7.742 12.410 -3.205 370 1HB LYS 40 HB2 LYS 40 -5.146 11.655 -4.501 371 2HB LYS 40 HB1 LYS 40 -6.405 12.430 -5.451 372 1HG LYS 40 HG2 LYS 40 -5.126 14.210 -4.770 373 2HG LYS 40 HG1 LYS 40 -6.416 14.188 -3.567 374 1HD LYS 40 HD2 LYS 40 -3.924 12.653 -3.026 375 2HD LYS 40 HD1 LYS 40 -3.892 14.406 -2.844 376 1HE LYS 40 HE2 LYS 40 -6.234 13.307 -1.607 377 2HE LYS 40 HE1 LYS 40 -4.789 12.482 -1.023 378 1HZ LYS 40 HZ1 LYS 40 -4.084 14.305 0.051 379 2HZ LYS 40 HZ2 LYS 40 -5.702 14.790 -0.031 380 3HZ LYS 40 HZ3 LYS 40 -4.588 15.368 -1.165 381 H GLU 41 HN GLU 41 -6.663 9.192 -3.805 382 HA GLU 41 HA GLU 41 -8.815 8.799 -5.778 383 1HB GLU 41 HB2 GLU 41 -6.570 6.911 -5.093 384 2HB GLU 41 HB1 GLU 41 -7.656 6.813 -6.471 385 1HG GLU 41 HG2 GLU 41 -6.169 9.307 -6.308 386 2HG GLU 41 HG1 GLU 41 -5.156 7.878 -6.483 387 H THR 42 HN THR 42 -8.424 8.747 -2.620 388 HA THR 42 HA THR 42 -10.441 6.698 -2.238 389 HB THR 42 HB THR 42 -8.044 6.771 -0.442 390 HG1 THR 42 HG1 THR 42 -7.157 5.124 -1.670 391 1HG2 THR 42 1HG2 THR 42 -8.892 4.975 0.543 392 2HG2 THR 42 2HG2 THR 42 -9.392 4.257 -0.988 393 3HG2 THR 42 3HG2 THR 42 -10.409 5.469 -0.208 394 H GLU 43 HN GLU 43 -9.791 9.775 -1.942 395 HA GLU 43 HA GLU 43 -9.958 10.604 0.667 396 1HB GLU 43 HB2 GLU 43 -11.631 12.405 -0.491 397 2HB GLU 43 HB1 GLU 43 -9.883 12.485 -0.598 398 1HG GLU 43 HG2 GLU 43 -9.859 11.643 -2.773 399 2HG GLU 43 HG1 GLU 43 -11.497 11.005 -2.641 400 H PHE 44 HN PHE 44 -12.753 10.103 -1.481 401 HA PHE 44 HA PHE 44 -14.490 9.939 0.853 402 1HB PHE 44 HB2 PHE 44 -15.034 10.188 -2.102 403 2HB PHE 44 HB1 PHE 44 -16.309 9.898 -0.923 404 HD1 PHE 44 HD1 PHE 44 -17.044 11.626 0.566 405 HD2 PHE 44 HD2 PHE 44 -13.837 12.310 -2.146 406 HE1 PHE 44 HE1 PHE 44 -17.211 14.045 0.985 407 HE2 PHE 44 HE2 PHE 44 -13.997 14.730 -1.732 408 HZ PHE 44 HZ PHE 44 -15.686 15.600 -0.165 409 H LYS 45 HN LYS 45 -12.982 7.902 -1.481 410 HA LYS 45 HA LYS 45 -14.796 5.779 -1.570 411 1HB LYS 45 HB2 LYS 45 -11.814 5.393 -1.621 412 2HB LYS 45 HB1 LYS 45 -13.049 4.467 -2.462 413 1HG LYS 45 HG2 LYS 45 -12.125 7.263 -3.077 414 2HG LYS 45 HG1 LYS 45 -11.912 5.815 -4.061 415 1HD LYS 45 HD2 LYS 45 -14.304 5.681 -4.432 416 2HD LYS 45 HD1 LYS 45 -14.571 7.063 -3.367 417 1HE LYS 45 HE2 LYS 45 -13.285 8.483 -4.887 418 2HE LYS 45 HE1 LYS 45 -13.006 7.103 -5.947 419 1HZ LYS 45 HZ1 LYS 45 -14.796 8.110 -6.938 420 2HZ LYS 45 HZ2 LYS 45 -15.486 8.609 -5.477 421 3HZ LYS 45 HZ3 LYS 45 -15.584 6.988 -5.947 422 H LYS 46 HN LYS 46 -11.969 6.199 0.553 423 HA LYS 46 HA LYS 46 -12.336 3.849 2.030 424 1HB LYS 46 HB2 LYS 46 -10.711 4.695 3.544 425 2HB LYS 46 HB1 LYS 46 -10.259 5.257 1.943 426 1HG LYS 46 HG2 LYS 46 -11.201 7.451 2.434 427 2HG LYS 46 HG1 LYS 46 -11.684 6.888 4.036 428 1HD LYS 46 HD2 LYS 46 -9.530 6.866 4.827 429 2HD LYS 46 HD1 LYS 46 -8.831 6.609 3.226 430 1HE LYS 46 HE2 LYS 46 -8.439 8.882 4.247 431 2HE LYS 46 HE1 LYS 46 -9.134 8.876 2.627 432 1HZ LYS 46 HZ1 LYS 46 -10.767 9.111 5.089 433 2HZ LYS 46 HZ2 LYS 46 -11.261 9.376 3.493 434 3HZ LYS 46 HZ3 LYS 46 -10.185 10.450 4.233 435 H ILE 47 HN ILE 47 -13.572 7.120 2.601 436 HA ILE 47 HA ILE 47 -14.623 6.505 5.170 437 HB ILE 47 HB ILE 47 -15.793 8.619 5.082 438 1HG1 ILE 47 2HG1 ILE 47 -14.989 8.649 2.168 439 2HG1 ILE 47 1HG1 ILE 47 -16.627 8.606 2.810 440 1HG2 ILE 47 1HG2 ILE 47 -13.831 9.494 5.626 441 2HG2 ILE 47 2HG2 ILE 47 -13.498 9.776 3.917 442 3HG2 ILE 47 3HG2 ILE 47 -12.990 8.268 4.677 443 1HD1 ILE 47 1HD1 ILE 47 -15.875 10.853 3.946 444 2HD1 ILE 47 2HD1 ILE 47 -16.459 10.804 2.282 445 3HD1 ILE 47 3HD1 ILE 47 -14.727 10.869 2.608 446 H LYS 48 HN LYS 48 -16.237 6.877 1.992 447 HA LYS 48 HA LYS 48 -18.816 6.315 2.806 448 1HB LYS 48 HB2 LYS 48 -19.306 5.729 0.528 449 2HB LYS 48 HB1 LYS 48 -18.139 7.042 0.516 450 1HG LYS 48 HG2 LYS 48 -16.375 5.596 -0.102 451 2HG LYS 48 HG1 LYS 48 -17.343 4.162 0.232 452 1HD LYS 48 HD2 LYS 48 -18.690 5.838 -1.674 453 2HD LYS 48 HD1 LYS 48 -17.047 5.502 -2.218 454 1HE LYS 48 HE2 LYS 48 -17.689 3.480 -2.873 455 2HE LYS 48 HE1 LYS 48 -18.111 3.082 -1.209 456 1HZ LYS 48 HZ1 LYS 48 -20.148 2.836 -2.085 457 2HZ LYS 48 HZ2 LYS 48 -19.824 3.810 -3.429 458 3HZ LYS 48 HZ3 LYS 48 -20.233 4.521 -1.949 459 H VAL 49 HN VAL 49 -16.186 4.099 2.070 460 HA VAL 49 HA VAL 49 -17.764 1.728 2.316 461 HB VAL 49 HB VAL 49 -14.763 2.068 2.442 462 1HG1 VAL 49 1HG1 VAL 49 -15.454 -0.028 3.463 463 2HG1 VAL 49 2HG1 VAL 49 -14.675 -0.331 1.909 464 3HG1 VAL 49 3HG1 VAL 49 -16.432 -0.416 2.046 465 1HG2 VAL 49 1HG2 VAL 49 -15.785 0.822 0.054 466 2HG2 VAL 49 2HG2 VAL 49 -14.759 2.247 0.224 467 3HG2 VAL 49 3HG2 VAL 49 -16.514 2.411 0.286 468 H LEU 50 HN LEU 50 -15.638 3.537 4.485 469 HA LEU 50 HA LEU 50 -15.793 1.612 6.598 470 1HB LEU 50 HB2 LEU 50 -14.885 4.487 6.559 471 2HB LEU 50 HB1 LEU 50 -14.768 3.443 7.963 472 HG LEU 50 HG LEU 50 -13.493 2.629 5.377 473 1HD1 LEU 50 1HD1 LEU 50 -11.472 3.759 5.947 474 2HD1 LEU 50 2HD1 LEU 50 -12.151 4.324 7.473 475 3HD1 LEU 50 3HD1 LEU 50 -12.770 4.953 5.947 476 1HD2 LEU 50 1HD2 LEU 50 -12.301 1.145 6.651 477 2HD2 LEU 50 2HD2 LEU 50 -13.804 1.215 7.571 478 3HD2 LEU 50 3HD2 LEU 50 -12.401 2.141 8.104 479 H GLY 51 HN GLY 51 -17.625 4.425 5.651 480 1HA GLY 51 HA2 GLY 51 -19.138 4.361 8.162 481 2HA GLY 51 HA1 GLY 51 -19.221 5.621 6.940 482 H SER 52 HN SER 52 -19.345 2.253 6.079 483 HA SER 52 HA SER 52 -21.739 2.530 4.633 484 1HB SER 52 HB2 SER 52 -21.529 0.254 4.111 485 2HB SER 52 HB1 SER 52 -19.864 0.752 4.411 486 HG SER 52 HG SER 52 -19.933 -0.906 5.724 487 H GLY 53 HN GLY 53 -21.068 1.523 7.924 488 1HA GLY 53 HA2 GLY 53 -22.454 1.125 9.709 489 2HA GLY 53 HA1 GLY 53 -23.650 2.086 8.852 Start of MODEL 6 1 1H ARG 1 HT1 ARG 1 14.112 7.536 31.231 2 2H ARG 1 HT2 ARG 1 15.155 8.190 30.035 3 3H ARG 1 HT3 ARG 1 14.044 9.208 30.856 4 HA ARG 1 HA ARG 1 16.079 9.634 31.808 5 1HB ARG 1 HB2 ARG 1 14.557 7.621 33.476 6 2HB ARG 1 HB1 ARG 1 15.753 8.744 34.107 7 1HG ARG 1 HG2 ARG 1 14.360 10.624 33.410 8 2HG ARG 1 HG1 ARG 1 13.159 9.497 32.776 9 1HD ARG 1 HD2 ARG 1 12.843 8.572 35.018 10 2HD ARG 1 HD1 ARG 1 14.049 9.692 35.652 11 HE ARG 1 HE ARG 1 12.244 11.332 34.489 12 1HH1 ARG 1 1HH1 ARG 1 11.955 8.736 36.803 13 2HH1 ARG 1 2HH1 ARG 1 10.567 9.417 37.581 14 1HH2 ARG 1 1HH2 ARG 1 10.418 12.229 35.512 15 2HH2 ARG 1 2HH2 ARG 1 9.694 11.400 36.849 16 H ARG 2 HN ARG 2 18.012 8.862 32.935 17 HA ARG 2 HA ARG 2 19.914 7.620 33.030 18 1HB ARG 2 HB2 ARG 2 18.362 6.050 34.205 19 2HB ARG 2 HB1 ARG 2 18.074 5.251 32.666 20 1HG ARG 2 HG2 ARG 2 20.145 4.283 32.620 21 2HG ARG 2 HG1 ARG 2 20.878 5.549 33.606 22 1HD ARG 2 HD2 ARG 2 18.852 3.612 34.693 23 2HD ARG 2 HD1 ARG 2 20.583 3.277 34.700 24 HE ARG 2 HE ARG 2 20.422 5.699 35.888 25 1HH1 ARG 2 1HH1 ARG 2 18.804 2.659 36.452 26 2HH1 ARG 2 2HH1 ARG 2 18.612 2.933 38.151 27 1HH2 ARG 2 1HH2 ARG 2 20.170 6.062 38.123 28 2HH2 ARG 2 2HH2 ARG 2 19.387 4.865 39.100 29 H ARG 3 HN ARG 3 21.355 6.179 31.768 30 HA ARG 3 HA ARG 3 20.736 6.410 28.904 31 1HB ARG 3 HB2 ARG 3 23.418 6.135 30.272 32 2HB ARG 3 HB1 ARG 3 23.165 6.326 28.542 33 1HG ARG 3 HG2 ARG 3 22.774 8.541 28.703 34 2HG ARG 3 HG1 ARG 3 21.969 8.398 30.267 35 1HD ARG 3 HD2 ARG 3 23.863 9.379 31.010 36 2HD ARG 3 HD1 ARG 3 24.466 7.722 30.981 37 HE ARG 3 HE ARG 3 24.845 9.136 28.506 38 1HH1 ARG 3 1HH1 ARG 3 26.187 8.483 31.661 39 2HH1 ARG 3 2HH1 ARG 3 27.812 8.834 31.181 40 1HH2 ARG 3 1HH2 ARG 3 26.984 9.597 27.872 41 2HH2 ARG 3 2HH2 ARG 3 28.265 9.467 29.031 42 H HIS 4 HN HIS 4 20.375 4.626 27.767 43 HA HIS 4 HA HIS 4 21.002 2.036 28.984 44 1HB HIS 4 HB2 HIS 4 18.707 2.941 27.786 45 2HB HIS 4 HB1 HIS 4 19.466 2.038 26.479 46 HD1 HIS 4 HD1 HIS 4 20.401 -0.466 27.510 47 HD2 HIS 4 HD2 HIS 4 17.062 1.344 29.194 48 HE1 HIS 4 HE1 HIS 4 19.157 -2.309 28.685 49 HE2 HIS 4 HE2 HIS 4 17.189 -1.173 29.771 50 H ILE 5 HN ILE 5 23.048 3.680 27.731 51 HA ILE 5 HA ILE 5 24.944 3.268 26.524 52 HB ILE 5 HB ILE 5 23.690 0.753 25.439 53 1HG1 ILE 5 2HG1 ILE 5 25.467 0.181 27.595 54 2HG1 ILE 5 1HG1 ILE 5 24.282 1.350 28.172 55 1HG2 ILE 5 1HG2 ILE 5 25.614 0.887 24.278 56 2HG2 ILE 5 2HG2 ILE 5 26.318 0.242 25.761 57 3HG2 ILE 5 3HG2 ILE 5 26.367 1.976 25.443 58 1HD1 ILE 5 1HD1 ILE 5 23.271 -0.972 26.642 59 2HD1 ILE 5 2HD1 ILE 5 22.560 -0.112 28.008 60 3HD1 ILE 5 3HD1 ILE 5 23.872 -1.260 28.275 61 H VAL 6 HN VAL 6 22.189 2.034 24.619 62 HA VAL 6 HA VAL 6 23.040 2.860 22.123 63 HB VAL 6 HB VAL 6 21.098 1.388 22.517 64 1HG1 VAL 6 1HG1 VAL 6 20.048 2.572 24.350 65 2HG1 VAL 6 2HG1 VAL 6 18.906 2.387 23.018 66 3HG1 VAL 6 3HG1 VAL 6 19.694 3.940 23.295 67 1HG2 VAL 6 1HG2 VAL 6 19.657 2.334 20.723 68 2HG2 VAL 6 2HG2 VAL 6 21.374 2.327 20.322 69 3HG2 VAL 6 3HG2 VAL 6 20.590 3.827 20.818 70 H ARG 7 HN ARG 7 23.069 4.734 21.016 71 HA ARG 7 HA ARG 7 21.687 7.067 22.131 72 1HB ARG 7 HB2 ARG 7 24.287 6.795 22.652 73 2HB ARG 7 HB1 ARG 7 24.426 7.489 21.043 74 1HG ARG 7 HG2 ARG 7 24.152 9.503 21.908 75 2HG ARG 7 HG1 ARG 7 22.533 9.043 22.434 76 1HD ARG 7 HD2 ARG 7 23.205 9.221 24.542 77 2HD ARG 7 HD1 ARG 7 24.330 7.892 24.271 78 HE ARG 7 HE ARG 7 24.958 10.694 24.447 79 1HH1 ARG 7 1HH1 ARG 7 26.011 7.589 23.251 80 2HH1 ARG 7 2HH1 ARG 7 27.683 8.036 23.200 81 1HH2 ARG 7 1HH2 ARG 7 27.157 11.284 24.377 82 2HH2 ARG 7 2HH2 ARG 7 28.334 10.132 23.839 83 H LYS 8 HN LYS 8 22.074 8.994 20.487 84 HA LYS 8 HA LYS 8 20.702 8.380 18.153 85 1HB LYS 8 HB2 LYS 8 21.457 10.632 17.358 86 2HB LYS 8 HB1 LYS 8 20.726 10.632 18.956 87 1HG LYS 8 HG2 LYS 8 22.677 11.157 20.006 88 2HG LYS 8 HG1 LYS 8 23.676 10.375 18.780 89 1HD LYS 8 HD2 LYS 8 22.122 12.704 17.862 90 2HD LYS 8 HD1 LYS 8 23.403 13.052 19.025 91 1HE LYS 8 HE2 LYS 8 24.678 11.360 17.326 92 2HE LYS 8 HE1 LYS 8 23.572 12.178 16.223 93 1HZ LYS 8 HZ1 LYS 8 25.633 13.410 17.959 94 2HZ LYS 8 HZ2 LYS 8 24.431 14.310 17.181 95 3HZ LYS 8 HZ3 LYS 8 25.553 13.433 16.270 96 H ARG 9 HN ARG 9 24.084 8.125 18.853 97 HA ARG 9 HA ARG 9 25.261 8.337 16.366 98 1HB ARG 9 HB2 ARG 9 25.909 6.424 18.613 99 2HB ARG 9 HB1 ARG 9 26.953 6.707 17.226 100 1HG ARG 9 HG2 ARG 9 27.522 8.830 17.913 101 2HG ARG 9 HG1 ARG 9 26.069 9.013 18.898 102 1HD ARG 9 HD2 ARG 9 27.047 8.116 20.700 103 2HD ARG 9 HD1 ARG 9 27.776 6.813 19.764 104 HE ARG 9 HE ARG 9 29.013 9.272 20.560 105 1HH1 ARG 9 1HH1 ARG 9 29.038 6.724 18.176 106 2HH1 ARG 9 2HH1 ARG 9 30.696 6.970 17.747 107 1HH2 ARG 9 1HH2 ARG 9 31.196 9.598 19.996 108 2HH2 ARG 9 2HH2 ARG 9 31.923 8.601 18.780 109 H THR 10 HN THR 10 23.366 5.707 17.691 110 HA THR 10 HA THR 10 23.927 3.959 15.448 111 HB THR 10 HB THR 10 23.461 3.322 17.948 112 HG1 THR 10 HG1 THR 10 22.477 1.962 15.678 113 1HG2 THR 10 1HG2 THR 10 21.277 4.344 18.175 114 2HG2 THR 10 2HG2 THR 10 21.171 2.592 18.354 115 3HG2 THR 10 3HG2 THR 10 20.662 3.358 16.848 116 H LEU 11 HN LEU 11 21.173 5.736 16.784 117 HA LEU 11 HA LEU 11 19.236 5.026 14.924 118 1HB LEU 11 HB2 LEU 11 19.663 7.456 16.623 119 2HB LEU 11 HB1 LEU 11 18.347 7.418 15.465 120 HG LEU 11 HG LEU 11 17.677 5.204 16.630 121 1HD1 LEU 11 1HD1 LEU 11 18.370 5.698 19.190 122 2HD1 LEU 11 2HD1 LEU 11 19.838 6.206 18.356 123 3HD1 LEU 11 3HD1 LEU 11 19.221 4.568 18.138 124 1HD2 LEU 11 1HD2 LEU 11 17.371 7.944 17.827 125 2HD2 LEU 11 2HD2 LEU 11 16.506 6.534 18.438 126 3HD2 LEU 11 3HD2 LEU 11 16.248 7.076 16.780 127 H ARG 12 HN ARG 12 22.055 6.894 14.484 128 HA ARG 12 HA ARG 12 21.149 8.544 12.366 129 1HB ARG 12 HB2 ARG 12 23.669 7.963 13.713 130 2HB ARG 12 HB1 ARG 12 23.876 8.214 11.985 131 1HG ARG 12 HG2 ARG 12 22.137 10.221 13.087 132 2HG ARG 12 HG1 ARG 12 23.657 10.158 13.979 133 1HD ARG 12 HD2 ARG 12 24.924 10.682 12.107 134 2HD ARG 12 HD1 ARG 12 23.666 10.160 10.987 135 HE ARG 12 HE ARG 12 22.817 12.275 11.047 136 1HH1 ARG 12 1HH1 ARG 12 24.806 11.812 13.877 137 2HH1 ARG 12 2HH1 ARG 12 24.664 13.457 14.399 138 1HH2 ARG 12 1HH2 ARG 12 22.630 14.439 11.731 139 2HH2 ARG 12 2HH2 ARG 12 23.429 14.948 13.180 140 H ARG 13 HN ARG 13 21.908 5.232 12.589 141 HA ARG 13 HA ARG 13 22.791 4.814 9.917 142 1HB ARG 13 HB2 ARG 13 22.754 2.527 10.410 143 2HB ARG 13 HB1 ARG 13 23.085 3.276 11.965 144 1HG ARG 13 HG2 ARG 13 20.825 2.946 12.678 145 2HG ARG 13 HG1 ARG 13 20.346 2.399 11.072 146 1HD ARG 13 HD2 ARG 13 22.520 0.971 12.540 147 2HD ARG 13 HD1 ARG 13 20.836 0.664 12.959 148 HE ARG 13 HE ARG 13 21.061 0.446 10.195 149 1HH1 ARG 13 1HH1 ARG 13 22.253 -1.184 13.041 150 2HH1 ARG 13 2HH1 ARG 13 22.384 -2.723 12.258 151 1HH2 ARG 13 1HH2 ARG 13 21.232 -1.576 9.163 152 2HH2 ARG 13 2HH2 ARG 13 21.805 -2.946 10.056 153 H LEU 14 HN LEU 14 19.674 4.884 11.516 154 HA LEU 14 HA LEU 14 18.152 3.750 9.422 155 1HB LEU 14 HB2 LEU 14 17.573 5.365 11.853 156 2HB LEU 14 HB1 LEU 14 16.327 5.279 10.621 157 HG LEU 14 HG LEU 14 16.842 2.666 10.839 158 1HD1 LEU 14 1HD1 LEU 14 17.047 3.307 13.708 159 2HD1 LEU 14 2HD1 LEU 14 18.514 3.539 12.757 160 3HD1 LEU 14 3HD1 LEU 14 17.724 1.962 12.791 161 1HD2 LEU 14 1HD2 LEU 14 14.765 4.275 11.412 162 2HD2 LEU 14 2HD2 LEU 14 15.152 3.689 13.029 163 3HD2 LEU 14 3HD2 LEU 14 14.777 2.543 11.742 164 H LEU 15 HN LEU 15 18.727 7.152 10.335 165 HA LEU 15 HA LEU 15 17.296 8.237 8.164 166 1HB LEU 15 HB2 LEU 15 18.613 10.327 8.660 167 2HB LEU 15 HB1 LEU 15 17.669 9.675 9.983 168 HG LEU 15 HG LEU 15 20.115 8.498 10.396 169 1HD1 LEU 15 1HD1 LEU 15 21.842 10.037 10.062 170 2HD1 LEU 15 2HD1 LEU 15 20.724 11.352 9.703 171 3HD1 LEU 15 3HD1 LEU 15 20.949 10.045 8.541 172 1HD2 LEU 15 1HD2 LEU 15 20.324 10.584 12.019 173 2HD2 LEU 15 2HD2 LEU 15 19.126 9.317 12.279 174 3HD2 LEU 15 3HD2 LEU 15 18.655 10.831 11.508 175 H GLN 16 HN GLN 16 20.806 7.827 8.643 176 HA GLN 16 HA GLN 16 21.575 8.751 6.113 177 1HB GLN 16 HB2 GLN 16 22.861 6.981 8.163 178 2HB GLN 16 HB1 GLN 16 23.623 7.200 6.594 179 1HG GLN 16 HG2 GLN 16 23.417 9.707 7.053 180 2HG GLN 16 HG1 GLN 16 23.095 9.240 8.722 181 1HE2 GLN 16 1HE2 GLN 16 24.744 8.571 9.999 182 2HE2 GLN 16 2HE2 GLN 16 26.399 8.540 9.503 183 H GLU 17 HN GLU 17 20.327 5.674 7.156 184 HA GLU 17 HA GLU 17 21.205 4.026 5.084 185 1HB GLU 17 HB2 GLU 17 19.077 3.965 7.101 186 2HB GLU 17 HB1 GLU 17 18.685 3.071 5.640 187 1HG GLU 17 HG2 GLU 17 21.370 2.490 6.494 188 2HG GLU 17 HG1 GLU 17 20.219 2.209 7.799 189 H ARG 18 HN ARG 18 18.563 6.330 5.211 190 HA ARG 18 HA ARG 18 17.222 5.541 2.867 191 1HB ARG 18 HB2 ARG 18 17.389 8.374 3.880 192 2HB ARG 18 HB1 ARG 18 16.074 7.619 2.991 193 1HG ARG 18 HG2 ARG 18 16.877 7.164 5.850 194 2HG ARG 18 HG1 ARG 18 15.360 7.823 5.233 195 1HD ARG 18 HD2 ARG 18 15.597 5.333 4.014 196 2HD ARG 18 HD1 ARG 18 16.144 5.071 5.668 197 HE ARG 18 HE ARG 18 13.683 6.545 5.476 198 1HH1 ARG 18 1HH1 ARG 18 15.117 3.366 5.621 199 2HH1 ARG 18 2HH1 ARG 18 13.686 2.612 6.239 200 1HH2 ARG 18 1HH2 ARG 18 11.800 5.554 6.290 201 2HH2 ARG 18 2HH2 ARG 18 11.802 3.854 6.618 202 H GLU 19 HN GLU 19 19.611 8.133 3.378 203 HA GLU 19 HA GLU 19 21.211 8.987 1.999 204 1HB GLU 19 HB2 GLU 19 20.337 7.067 -0.153 205 2HB GLU 19 HB1 GLU 19 21.893 7.867 0.017 206 1HG GLU 19 HG2 GLU 19 21.781 6.503 2.343 207 2HG GLU 19 HG1 GLU 19 20.872 5.426 1.284 208 H LEU 20 HN LEU 20 17.968 9.151 1.556 209 HA LEU 20 HA LEU 20 18.241 11.406 -0.267 210 1HB LEU 20 HB2 LEU 20 16.346 9.103 -0.732 211 2HB LEU 20 HB1 LEU 20 16.242 10.644 -1.560 212 HG LEU 20 HG LEU 20 18.894 9.681 -1.896 213 1HD1 LEU 20 1HD1 LEU 20 17.370 7.503 -1.397 214 2HD1 LEU 20 2HD1 LEU 20 18.784 7.508 -2.451 215 3HD1 LEU 20 3HD1 LEU 20 17.169 7.658 -3.142 216 1HD2 LEU 20 1HD2 LEU 20 18.507 10.201 -4.073 217 2HD2 LEU 20 2HD2 LEU 20 17.150 11.063 -3.348 218 3HD2 LEU 20 3HD2 LEU 20 16.899 9.477 -4.077 219 H VAL 21 HN VAL 21 15.484 9.546 0.994 220 HA VAL 21 HA VAL 21 14.835 11.625 2.899 221 HB VAL 21 HB VAL 21 12.850 10.976 0.716 222 1HG1 VAL 21 1HG1 VAL 21 11.581 11.553 2.558 223 2HG1 VAL 21 2HG1 VAL 21 11.805 13.113 1.767 224 3HG1 VAL 21 3HG1 VAL 21 12.789 12.685 3.166 225 1HG2 VAL 21 1HG2 VAL 21 14.608 12.280 -0.265 226 2HG2 VAL 21 2HG2 VAL 21 14.596 13.405 1.093 227 3HG2 VAL 21 3HG2 VAL 21 13.217 13.333 -0.004 228 H GLU 22 HN GLU 22 13.169 8.976 1.178 229 HA GLU 22 HA GLU 22 13.169 7.261 3.448 230 1HB GLU 22 HB2 GLU 22 10.919 9.107 3.088 231 2HB GLU 22 HB1 GLU 22 10.431 7.423 3.225 232 1HG GLU 22 HG2 GLU 22 11.859 7.321 5.310 233 2HG GLU 22 HG1 GLU 22 11.959 9.078 5.207 234 HA PRO 23 HA PRO 23 12.503 5.429 -0.823 235 1HB PRO 23 HB2 PRO 23 14.510 3.574 -0.536 236 2HB PRO 23 HB1 PRO 23 14.719 5.161 -1.281 237 1HG PRO 23 HG2 PRO 23 15.392 4.261 1.483 238 2HG PRO 23 HG1 PRO 23 16.289 5.344 0.406 239 1HD PRO 23 HD2 PRO 23 14.789 6.256 2.460 240 2HD PRO 23 HD1 PRO 23 14.987 7.167 0.949 241 H LEU 24 HN LEU 24 12.583 4.319 2.438 242 HA LEU 24 HA LEU 24 11.527 1.689 1.767 243 1HB LEU 24 HB2 LEU 24 12.134 2.989 4.424 244 2HB LEU 24 HB1 LEU 24 11.510 1.361 4.243 245 HG LEU 24 HG LEU 24 13.903 1.314 4.649 246 1HD1 LEU 24 1HD1 LEU 24 13.861 0.614 1.787 247 2HD1 LEU 24 2HD1 LEU 24 12.605 -0.121 2.784 248 3HD1 LEU 24 3HD1 LEU 24 14.305 -0.357 3.190 249 1HD2 LEU 24 1HD2 LEU 24 15.477 2.480 3.452 250 2HD2 LEU 24 2HD2 LEU 24 14.136 3.627 3.445 251 3HD2 LEU 24 3HD2 LEU 24 14.445 2.622 2.029 252 H THR 25 HN THR 25 9.731 3.106 0.715 253 HA THR 25 HA THR 25 7.645 3.680 2.705 254 HB THR 25 HB THR 25 7.963 5.613 1.447 255 HG1 THR 25 HG1 THR 25 6.009 4.575 -0.239 256 1HG2 THR 25 1HG2 THR 25 7.823 5.477 -1.137 257 2HG2 THR 25 2HG2 THR 25 8.352 3.812 -0.893 258 3HG2 THR 25 3HG2 THR 25 9.352 5.147 -0.321 259 HA PRO 26 HA PRO 26 5.291 0.215 1.381 260 1HB PRO 26 HB2 PRO 26 2.762 1.107 1.849 261 2HB PRO 26 HB1 PRO 26 3.870 0.612 3.132 262 1HG PRO 26 HG2 PRO 26 3.185 3.359 2.174 263 2HG PRO 26 HG1 PRO 26 3.411 2.773 3.832 264 1HD PRO 26 HD2 PRO 26 5.320 4.155 2.488 265 2HD PRO 26 HD1 PRO 26 5.703 2.923 3.707 266 H SER 27 HN SER 27 4.562 3.366 0.027 267 HA SER 27 HA SER 27 2.899 2.349 -2.078 268 1HB SER 27 HB2 SER 27 3.070 4.665 -2.985 269 2HB SER 27 HB1 SER 27 2.553 4.622 -1.300 270 HG SER 27 HG SER 27 4.169 6.190 -1.628 271 H GLY 28 HN GLY 28 5.819 4.325 -2.515 272 1HA GLY 28 HA2 GLY 28 7.610 2.664 -3.631 273 2HA GLY 28 HA1 GLY 28 6.445 2.850 -4.933 274 H GLU 29 HN GLU 29 9.335 3.772 -4.358 275 HA GLU 29 HA GLU 29 10.619 5.470 -5.182 276 1HB GLU 29 HB2 GLU 29 8.189 5.839 -6.532 277 2HB GLU 29 HB1 GLU 29 8.596 7.420 -5.881 278 1HG GLU 29 HG2 GLU 29 9.949 7.712 -7.601 279 2HG GLU 29 HG1 GLU 29 10.975 6.432 -6.955 280 H ALA 30 HN ALA 30 7.697 6.875 -3.670 281 HA ALA 30 HA ALA 30 9.243 7.885 -1.469 282 1HB ALA 30 HB1 ALA 30 8.497 9.646 -3.720 283 2HB ALA 30 HB2 ALA 30 9.836 9.765 -2.579 284 3HB ALA 30 HB3 ALA 30 8.220 10.282 -2.098 285 HA PRO 31 HA PRO 31 5.389 7.366 0.620 286 1HB PRO 31 HB2 PRO 31 6.101 9.783 2.188 287 2HB PRO 31 HB1 PRO 31 5.731 8.148 2.746 288 1HG PRO 31 HG2 PRO 31 8.234 9.072 2.771 289 2HG PRO 31 HG1 PRO 31 7.884 7.385 2.351 290 1HD PRO 31 HD2 PRO 31 8.566 9.684 0.564 291 2HD PRO 31 HD1 PRO 31 9.070 7.984 0.460 292 H ASN 32 HN ASN 32 6.257 10.738 -0.107 293 HA ASN 32 HA ASN 32 3.901 12.039 0.106 294 1HB ASN 32 HB2 ASN 32 6.335 12.440 -1.344 295 2HB ASN 32 HB1 ASN 32 4.982 12.928 -2.360 296 1HD2 ASN 32 1HD2 ASN 32 3.212 13.889 -0.527 297 2HD2 ASN 32 2HD2 ASN 32 3.869 15.286 0.249 298 H GLN 33 HN GLN 33 4.889 10.234 -2.816 299 HA GLN 33 HA GLN 33 2.615 10.721 -4.336 300 1HB GLN 33 HB2 GLN 33 3.201 8.815 -5.658 301 2HB GLN 33 HB1 GLN 33 4.674 9.648 -5.186 302 1HG GLN 33 HG2 GLN 33 5.478 7.775 -4.334 303 2HG GLN 33 HG1 GLN 33 4.115 7.682 -3.220 304 1HE2 GLN 33 1HE2 GLN 33 2.120 6.708 -4.099 305 2HE2 GLN 33 2HE2 GLN 33 2.277 5.384 -5.197 306 H ALA 34 HN ALA 34 3.002 8.683 -1.578 307 HA ALA 34 HA ALA 34 0.781 6.970 -2.035 308 1HB ALA 34 HB1 ALA 34 1.016 6.312 0.250 309 2HB ALA 34 HB2 ALA 34 1.918 7.776 0.641 310 3HB ALA 34 HB3 ALA 34 2.642 6.545 -0.392 311 H LEU 35 HN LEU 35 1.214 9.718 0.187 312 HA LEU 35 HA LEU 35 -1.524 10.065 0.750 313 1HB LEU 35 HB2 LEU 35 0.431 12.332 0.794 314 2HB LEU 35 HB1 LEU 35 -0.921 12.028 1.865 315 HG LEU 35 HG LEU 35 1.016 9.896 2.079 316 1HD1 LEU 35 1HD1 LEU 35 2.975 10.926 2.486 317 2HD1 LEU 35 2HD1 LEU 35 2.205 12.364 3.158 318 3HD1 LEU 35 3HD1 LEU 35 2.315 12.157 1.409 319 1HD2 LEU 35 1HD2 LEU 35 -0.851 11.034 3.655 320 2HD2 LEU 35 2HD2 LEU 35 0.607 11.795 4.292 321 3HD2 LEU 35 3HD2 LEU 35 0.472 10.037 4.260 322 H LEU 36 HN LEU 36 0.531 11.084 -1.838 323 HA LEU 36 HA LEU 36 -0.939 13.227 -2.843 324 1HB LEU 36 HB2 LEU 36 1.287 11.637 -3.670 325 2HB LEU 36 HB1 LEU 36 0.225 11.907 -5.040 326 HG LEU 36 HG LEU 36 0.347 14.346 -4.610 327 1HD1 LEU 36 1HD1 LEU 36 1.550 15.288 -2.926 328 2HD1 LEU 36 2HD1 LEU 36 2.689 13.945 -2.836 329 3HD1 LEU 36 3HD1 LEU 36 1.082 13.787 -2.126 330 1HD2 LEU 36 1HD2 LEU 36 2.268 14.591 -5.816 331 2HD2 LEU 36 2HD2 LEU 36 2.016 12.858 -6.023 332 3HD2 LEU 36 3HD2 LEU 36 3.169 13.445 -4.824 333 H ARG 37 HN ARG 37 -1.124 9.755 -3.770 334 HA ARG 37 HA ARG 37 -3.582 10.419 -5.228 335 1HB ARG 37 HB2 ARG 37 -3.242 8.412 -6.493 336 2HB ARG 37 HB1 ARG 37 -1.729 9.303 -6.458 337 1HG ARG 37 HG2 ARG 37 -0.871 7.288 -5.968 338 2HG ARG 37 HG1 ARG 37 -1.370 7.705 -4.328 339 1HD ARG 37 HD2 ARG 37 -2.102 5.462 -4.875 340 2HD ARG 37 HD1 ARG 37 -3.495 6.525 -4.696 341 HE ARG 37 HE ARG 37 -4.011 6.151 -6.890 342 1HH1 ARG 37 1HH1 ARG 37 -0.696 5.201 -6.348 343 2HH1 ARG 37 2HH1 ARG 37 -0.507 4.506 -7.922 344 1HH2 ARG 37 1HH2 ARG 37 -3.764 5.236 -8.962 345 2HH2 ARG 37 2HH2 ARG 37 -2.248 4.525 -9.407 346 H ILE 38 HN ILE 38 -2.700 9.010 -2.247 347 HA ILE 38 HA ILE 38 -4.813 7.059 -2.263 348 HB ILE 38 HB ILE 38 -2.865 6.706 -0.821 349 1HG1 ILE 38 2HG1 ILE 38 -4.342 6.552 1.409 350 2HG1 ILE 38 1HG1 ILE 38 -5.635 6.855 0.254 351 1HG2 ILE 38 1HG2 ILE 38 -3.833 8.787 1.077 352 2HG2 ILE 38 2HG2 ILE 38 -2.805 9.261 -0.275 353 3HG2 ILE 38 3HG2 ILE 38 -2.225 8.082 0.900 354 1HD1 ILE 38 1HD1 ILE 38 -3.623 4.694 -0.223 355 2HD1 ILE 38 2HD1 ILE 38 -5.252 4.866 -0.878 356 3HD1 ILE 38 3HD1 ILE 38 -5.023 4.430 0.816 357 H LEU 39 HN LEU 39 -4.371 10.195 -0.619 358 HA LEU 39 HA LEU 39 -6.945 10.226 0.519 359 1HB LEU 39 HB2 LEU 39 -4.820 12.250 0.033 360 2HB LEU 39 HB1 LEU 39 -6.427 12.822 0.438 361 HG LEU 39 HG LEU 39 -4.762 10.953 2.124 362 1HD1 LEU 39 1HD1 LEU 39 -5.257 13.902 2.207 363 2HD1 LEU 39 2HD1 LEU 39 -3.739 13.019 2.361 364 3HD1 LEU 39 3HD1 LEU 39 -4.906 13.004 3.683 365 1HD2 LEU 39 1HD2 LEU 39 -6.834 10.366 2.823 366 2HD2 LEU 39 2HD2 LEU 39 -7.572 11.861 2.250 367 3HD2 LEU 39 3HD2 LEU 39 -6.674 11.848 3.767 368 H LYS 40 HN LYS 40 -5.874 10.824 -2.699 369 HA LYS 40 HA LYS 40 -8.309 12.320 -3.344 370 1HB LYS 40 HB2 LYS 40 -5.726 11.804 -4.792 371 2HB LYS 40 HB1 LYS 40 -7.135 12.411 -5.648 372 1HG LYS 40 HG2 LYS 40 -5.450 14.118 -4.863 373 2HG LYS 40 HG1 LYS 40 -7.135 14.423 -4.453 374 1HD LYS 40 HD2 LYS 40 -6.235 14.828 -2.407 375 2HD LYS 40 HD1 LYS 40 -6.396 13.086 -2.252 376 1HE LYS 40 HE2 LYS 40 -4.176 14.047 -1.568 377 2HE LYS 40 HE1 LYS 40 -4.123 12.725 -2.732 378 1HZ LYS 40 HZ1 LYS 40 -2.779 14.974 -3.057 379 2HZ LYS 40 HZ2 LYS 40 -4.220 15.432 -3.815 380 3HZ LYS 40 HZ3 LYS 40 -3.370 14.078 -4.365 381 H GLU 41 HN GLU 41 -6.663 9.318 -4.082 382 HA GLU 41 HA GLU 41 -8.846 8.478 -5.846 383 1HB GLU 41 HB2 GLU 41 -6.383 6.939 -5.064 384 2HB GLU 41 HB1 GLU 41 -7.439 6.632 -6.437 385 1HG GLU 41 HG2 GLU 41 -6.281 9.296 -6.398 386 2HG GLU 41 HG1 GLU 41 -5.095 7.998 -6.491 387 H THR 42 HN THR 42 -8.149 8.444 -2.625 388 HA THR 42 HA THR 42 -9.955 6.188 -2.192 389 HB THR 42 HB THR 42 -7.389 6.715 -0.696 390 HG1 THR 42 HG1 THR 42 -8.152 4.660 -2.486 391 1HG2 THR 42 1HG2 THR 42 -9.704 5.163 0.000 392 2HG2 THR 42 2HG2 THR 42 -8.285 5.584 0.958 393 3HG2 THR 42 3HG2 THR 42 -8.246 4.180 -0.109 394 H GLU 43 HN GLU 43 -9.802 9.328 -2.002 395 HA GLU 43 HA GLU 43 -10.109 10.232 0.568 396 1HB GLU 43 HB2 GLU 43 -12.015 11.716 -0.600 397 2HB GLU 43 HB1 GLU 43 -10.306 12.007 -0.850 398 1HG GLU 43 HG2 GLU 43 -10.387 11.399 -3.008 399 2HG GLU 43 HG1 GLU 43 -11.510 10.076 -2.700 400 H PHE 44 HN PHE 44 -12.801 9.221 -1.529 401 HA PHE 44 HA PHE 44 -14.491 8.893 0.816 402 1HB PHE 44 HB2 PHE 44 -14.956 9.104 -2.122 403 2HB PHE 44 HB1 PHE 44 -16.163 8.274 -1.144 404 HD1 PHE 44 HD1 PHE 44 -14.908 11.429 -2.237 405 HD2 PHE 44 HD2 PHE 44 -17.157 9.523 0.832 406 HE1 PHE 44 HE1 PHE 44 -15.884 13.599 -1.610 407 HE2 PHE 44 HE2 PHE 44 -18.137 11.689 1.465 408 HZ PHE 44 HZ PHE 44 -17.501 13.731 0.242 409 H LYS 45 HN LYS 45 -12.634 6.963 -1.362 410 HA LYS 45 HA LYS 45 -14.093 4.582 -1.294 411 1HB LYS 45 HB2 LYS 45 -11.085 4.713 -1.350 412 2HB LYS 45 HB1 LYS 45 -12.131 3.501 -2.073 413 1HG LYS 45 HG2 LYS 45 -11.761 6.351 -2.961 414 2HG LYS 45 HG1 LYS 45 -11.262 4.887 -3.808 415 1HD LYS 45 HD2 LYS 45 -13.597 4.241 -4.089 416 2HD LYS 45 HD1 LYS 45 -14.110 5.684 -3.210 417 1HE LYS 45 HE2 LYS 45 -12.739 6.953 -5.013 418 2HE LYS 45 HE1 LYS 45 -12.890 5.457 -5.933 419 1HZ LYS 45 HZ1 LYS 45 -14.726 6.628 -6.614 420 2HZ LYS 45 HZ2 LYS 45 -14.988 7.343 -5.105 421 3HZ LYS 45 HZ3 LYS 45 -15.387 5.718 -5.350 422 H LYS 46 HN LYS 46 -11.392 5.596 0.815 423 HA LYS 46 HA LYS 46 -11.493 3.278 2.425 424 1HB LYS 46 HB2 LYS 46 -9.973 4.415 3.920 425 2HB LYS 46 HB1 LYS 46 -9.496 4.695 2.254 426 1HG LYS 46 HG2 LYS 46 -9.782 6.908 2.418 427 2HG LYS 46 HG1 LYS 46 -11.269 6.749 3.350 428 1HD LYS 46 HD2 LYS 46 -9.373 5.874 5.121 429 2HD LYS 46 HD1 LYS 46 -8.517 7.149 4.252 430 1HE LYS 46 HE2 LYS 46 -10.515 8.623 4.688 431 2HE LYS 46 HE1 LYS 46 -11.109 7.363 5.769 432 1HZ LYS 46 HZ1 LYS 46 -8.939 9.253 6.140 433 2HZ LYS 46 HZ2 LYS 46 -8.626 7.681 6.679 434 3HZ LYS 46 HZ3 LYS 46 -9.957 8.531 7.284 435 H ILE 47 HN ILE 47 -13.085 6.419 2.758 436 HA ILE 47 HA ILE 47 -13.957 5.921 5.424 437 HB ILE 47 HB ILE 47 -15.506 7.827 5.099 438 1HG1 ILE 47 2HG1 ILE 47 -14.767 9.093 2.831 439 2HG1 ILE 47 1HG1 ILE 47 -14.685 7.425 2.282 440 1HG2 ILE 47 1HG2 ILE 47 -13.515 8.545 5.951 441 2HG2 ILE 47 2HG2 ILE 47 -13.543 9.452 4.439 442 3HG2 ILE 47 3HG2 ILE 47 -12.588 7.974 4.564 443 1HD1 ILE 47 1HD1 ILE 47 -16.985 9.105 2.800 444 2HD1 ILE 47 2HD1 ILE 47 -17.094 7.542 3.609 445 3HD1 ILE 47 3HD1 ILE 47 -16.857 7.617 1.863 446 H LYS 48 HN LYS 48 -15.729 5.829 2.312 447 HA LYS 48 HA LYS 48 -18.180 5.011 3.279 448 1HB LYS 48 HB2 LYS 48 -18.651 4.162 1.071 449 2HB LYS 48 HB1 LYS 48 -17.704 5.636 0.921 450 1HG LYS 48 HG2 LYS 48 -15.678 4.231 0.607 451 2HG LYS 48 HG1 LYS 48 -16.724 2.809 0.597 452 1HD LYS 48 HD2 LYS 48 -17.434 5.028 -1.237 453 2HD LYS 48 HD1 LYS 48 -15.997 4.083 -1.634 454 1HE LYS 48 HE2 LYS 48 -18.550 2.699 -0.926 455 2HE LYS 48 HE1 LYS 48 -18.327 3.357 -2.546 456 1HZ LYS 48 HZ1 LYS 48 -17.656 0.944 -2.118 457 2HZ LYS 48 HZ2 LYS 48 -16.300 1.585 -1.336 458 3HZ LYS 48 HZ3 LYS 48 -16.571 1.923 -2.972 459 H VAL 49 HN VAL 49 -15.295 3.107 2.662 460 HA VAL 49 HA VAL 49 -16.562 0.576 3.121 461 HB VAL 49 HB VAL 49 -13.614 1.231 3.172 462 1HG1 VAL 49 1HG1 VAL 49 -14.485 -1.408 2.261 463 2HG1 VAL 49 2HG1 VAL 49 -14.854 -1.079 3.953 464 3HG1 VAL 49 3HG1 VAL 49 -13.192 -0.960 3.375 465 1HG2 VAL 49 1HG2 VAL 49 -15.098 1.748 1.054 466 2HG2 VAL 49 2HG2 VAL 49 -14.948 0.008 0.810 467 3HG2 VAL 49 3HG2 VAL 49 -13.502 1.014 0.897 468 H LEU 50 HN LEU 50 -14.806 2.904 5.072 469 HA LEU 50 HA LEU 50 -14.567 1.136 7.335 470 1HB LEU 50 HB2 LEU 50 -14.068 4.091 7.002 471 2HB LEU 50 HB1 LEU 50 -13.808 3.229 8.507 472 HG LEU 50 HG LEU 50 -12.439 2.290 6.017 473 1HD1 LEU 50 1HD1 LEU 50 -12.164 4.841 6.482 474 2HD1 LEU 50 2HD1 LEU 50 -10.751 3.848 6.126 475 3HD1 LEU 50 3HD1 LEU 50 -11.120 4.292 7.793 476 1HD2 LEU 50 1HD2 LEU 50 -10.690 1.744 7.768 477 2HD2 LEU 50 2HD2 LEU 50 -12.197 0.833 7.856 478 3HD2 LEU 50 3HD2 LEU 50 -11.906 2.165 8.974 479 H GLY 51 HN GLY 51 -16.800 3.572 6.211 480 1HA GLY 51 HA2 GLY 51 -18.247 3.489 8.764 481 2HA GLY 51 HA1 GLY 51 -18.501 4.659 7.478 482 H SER 52 HN SER 52 -18.240 1.235 6.855 483 HA SER 52 HA SER 52 -20.621 1.117 5.386 484 1HB SER 52 HB2 SER 52 -18.816 -0.502 5.070 485 2HB SER 52 HB1 SER 52 -19.074 -1.132 6.696 486 HG SER 52 HG SER 52 -21.065 -1.127 4.678 487 H GLY 53 HN GLY 53 -19.967 0.637 8.782 488 1HA GLY 53 HA2 GLY 53 -21.418 0.513 10.567 489 2HA GLY 53 HA1 GLY 53 -22.729 0.864 9.451 Start of MODEL 7 1 1H ARG 1 HT1 ARG 1 -13.258 -11.158 4.473 2 2H ARG 1 HT2 ARG 1 -13.884 -9.560 4.499 3 3H ARG 1 HT3 ARG 1 -12.793 -10.037 3.262 4 HA ARG 1 HA ARG 1 -14.322 -11.396 2.254 5 1HB ARG 1 HB2 ARG 1 -15.125 -11.943 4.800 6 2HB ARG 1 HB1 ARG 1 -16.480 -10.982 4.225 7 1HG ARG 1 HG2 ARG 1 -16.359 -12.589 2.166 8 2HG ARG 1 HG1 ARG 1 -15.514 -13.642 3.303 9 1HD ARG 1 HD2 ARG 1 -17.373 -14.031 4.530 10 2HD ARG 1 HD1 ARG 1 -18.000 -12.401 4.291 11 HE ARG 1 HE ARG 1 -19.173 -13.151 2.471 12 1HH1 ARG 1 1HH1 ARG 1 -16.795 -15.547 3.356 13 2HH1 ARG 1 2HH1 ARG 1 -17.410 -16.742 2.264 14 1HH2 ARG 1 1HH2 ARG 1 -19.983 -14.722 1.035 15 2HH2 ARG 1 2HH2 ARG 1 -19.220 -16.274 0.946 16 H ARG 2 HN ARG 2 -13.700 -8.628 2.170 17 HA ARG 2 HA ARG 2 -16.252 -7.255 1.862 18 1HB ARG 2 HB2 ARG 2 -13.566 -6.458 2.444 19 2HB ARG 2 HB1 ARG 2 -14.097 -5.623 0.990 20 1HG ARG 2 HG2 ARG 2 -14.805 -4.150 2.571 21 2HG ARG 2 HG1 ARG 2 -16.243 -5.165 2.444 22 1HD ARG 2 HD2 ARG 2 -14.584 -6.416 4.327 23 2HD ARG 2 HD1 ARG 2 -14.530 -4.695 4.707 24 HE ARG 2 HE ARG 2 -17.170 -5.166 4.383 25 1HH1 ARG 2 1HH1 ARG 2 -14.696 -6.707 6.302 26 2HH1 ARG 2 2HH1 ARG 2 -15.792 -7.193 7.551 27 1HH2 ARG 2 1HH2 ARG 2 -18.613 -5.804 6.026 28 2HH2 ARG 2 2HH2 ARG 2 -18.016 -6.682 7.394 29 H ARG 3 HN ARG 3 -13.331 -7.228 -0.171 30 HA ARG 3 HA ARG 3 -15.081 -7.390 -2.526 31 1HB ARG 3 HB2 ARG 3 -13.661 -5.369 -2.332 32 2HB ARG 3 HB1 ARG 3 -12.234 -6.395 -2.351 33 1HG ARG 3 HG2 ARG 3 -12.343 -6.742 -4.576 34 2HG ARG 3 HG1 ARG 3 -14.107 -6.748 -4.599 35 1HD ARG 3 HD2 ARG 3 -12.343 -4.313 -4.356 36 2HD ARG 3 HD1 ARG 3 -13.209 -4.823 -5.805 37 HE ARG 3 HE ARG 3 -14.947 -4.465 -3.567 38 1HH1 ARG 3 1HH1 ARG 3 -13.255 -2.784 -6.113 39 2HH1 ARG 3 2HH1 ARG 3 -14.360 -1.452 -6.140 40 1HH2 ARG 3 1HH2 ARG 3 -16.404 -2.713 -3.600 41 2HH2 ARG 3 2HH2 ARG 3 -16.147 -1.411 -4.713 42 H HIS 4 HN HIS 4 -12.691 -9.082 -0.762 43 HA HIS 4 HA HIS 4 -11.730 -11.116 -1.044 44 1HB HIS 4 HB2 HIS 4 -14.139 -11.224 -2.617 45 2HB HIS 4 HB1 HIS 4 -12.872 -12.157 -3.405 46 HD1 HIS 4 HD1 HIS 4 -12.967 -14.524 -2.738 47 HD2 HIS 4 HD2 HIS 4 -14.117 -12.011 0.366 48 HE1 HIS 4 HE1 HIS 4 -13.518 -16.043 -0.812 49 HE2 HIS 4 HE2 HIS 4 -14.298 -14.506 1.025 50 H ILE 5 HN ILE 5 -9.791 -9.925 -1.577 51 HA ILE 5 HA ILE 5 -8.986 -10.335 -4.381 52 HB ILE 5 HB ILE 5 -7.985 -8.076 -2.653 53 1HG1 ILE 5 2HG1 ILE 5 -9.637 -7.312 -4.929 54 2HG1 ILE 5 1HG1 ILE 5 -10.535 -8.265 -3.752 55 1HG2 ILE 5 1HG2 ILE 5 -7.398 -7.229 -5.034 56 2HG2 ILE 5 2HG2 ILE 5 -7.567 -8.926 -5.488 57 3HG2 ILE 5 3HG2 ILE 5 -6.380 -8.451 -4.272 58 1HD1 ILE 5 1HD1 ILE 5 -10.481 -5.698 -3.534 59 2HD1 ILE 5 2HD1 ILE 5 -8.870 -5.953 -2.863 60 3HD1 ILE 5 3HD1 ILE 5 -10.275 -6.688 -2.089 61 H VAL 6 HN VAL 6 -6.985 -11.201 -4.724 62 HA VAL 6 HA VAL 6 -5.376 -11.818 -2.334 63 HB VAL 6 HB VAL 6 -6.545 -13.833 -3.119 64 1HG1 VAL 6 1HG1 VAL 6 -6.229 -12.859 -5.621 65 2HG1 VAL 6 2HG1 VAL 6 -6.617 -14.539 -5.253 66 3HG1 VAL 6 3HG1 VAL 6 -4.947 -14.070 -5.575 67 1HG2 VAL 6 1HG2 VAL 6 -3.636 -13.547 -2.999 68 2HG2 VAL 6 2HG2 VAL 6 -4.182 -15.007 -3.825 69 3HG2 VAL 6 3HG2 VAL 6 -4.701 -14.682 -2.171 70 H ARG 7 HN ARG 7 -3.540 -10.708 -2.455 71 HA ARG 7 HA ARG 7 -2.374 -10.106 -5.058 72 1HB ARG 7 HB2 ARG 7 -2.289 -8.888 -2.364 73 2HB ARG 7 HB1 ARG 7 -0.789 -8.812 -3.276 74 1HG ARG 7 HG2 ARG 7 -1.746 -6.868 -3.953 75 2HG ARG 7 HG1 ARG 7 -2.395 -7.954 -5.184 76 1HD ARG 7 HD2 ARG 7 -4.501 -7.785 -4.405 77 2HD ARG 7 HD1 ARG 7 -3.985 -7.768 -2.719 78 HE ARG 7 HE ARG 7 -3.324 -5.342 -4.063 79 1HH1 ARG 7 1HH1 ARG 7 -5.940 -7.062 -2.522 80 2HH1 ARG 7 2HH1 ARG 7 -6.807 -5.623 -2.105 81 1HH2 ARG 7 1HH2 ARG 7 -4.462 -3.447 -3.515 82 2HH2 ARG 7 2HH2 ARG 7 -5.969 -3.570 -2.668 83 H LYS 8 HN LYS 8 -2.223 -12.786 -4.180 84 HA LYS 8 HA LYS 8 0.149 -13.469 -2.869 85 1HB LYS 8 HB2 LYS 8 -1.578 -15.116 -3.268 86 2HB LYS 8 HB1 LYS 8 -1.401 -14.939 -5.008 87 1HG LYS 8 HG2 LYS 8 -0.142 -16.779 -4.809 88 2HG LYS 8 HG1 LYS 8 1.114 -15.635 -4.337 89 1HD LYS 8 HD2 LYS 8 -0.693 -16.626 -2.206 90 2HD LYS 8 HD1 LYS 8 0.486 -17.764 -2.860 91 1HE LYS 8 HE2 LYS 8 1.936 -15.433 -2.480 92 2HE LYS 8 HE1 LYS 8 0.868 -15.505 -1.079 93 1HZ LYS 8 HZ1 LYS 8 1.680 -17.700 -0.580 94 2HZ LYS 8 HZ2 LYS 8 2.993 -16.643 -0.714 95 3HZ LYS 8 HZ3 LYS 8 2.640 -17.714 -1.974 96 H ARG 9 HN ARG 9 -0.482 -13.384 -6.383 97 HA ARG 9 HA ARG 9 2.286 -13.619 -7.042 98 1HB ARG 9 HB2 ARG 9 1.572 -13.280 -9.338 99 2HB ARG 9 HB1 ARG 9 0.479 -14.401 -8.540 100 1HG ARG 9 HG2 ARG 9 -0.390 -11.629 -8.343 101 2HG ARG 9 HG1 ARG 9 -0.252 -12.203 -10.005 102 1HD ARG 9 HD2 ARG 9 -1.734 -13.688 -7.844 103 2HD ARG 9 HD1 ARG 9 -2.499 -12.536 -8.934 104 HE ARG 9 HE ARG 9 -2.150 -14.022 -10.724 105 1HH1 ARG 9 1HH1 ARG 9 -1.055 -15.348 -7.677 106 2HH1 ARG 9 2HH1 ARG 9 -1.023 -16.976 -8.262 107 1HH2 ARG 9 1HH2 ARG 9 -2.100 -16.163 -11.483 108 2HH2 ARG 9 2HH2 ARG 9 -1.612 -17.439 -10.418 109 H THR 10 HN THR 10 0.194 -11.030 -6.220 110 HA THR 10 HA THR 10 1.407 -8.893 -7.561 111 HB THR 10 HB THR 10 -0.302 -9.195 -5.142 112 HG1 THR 10 HG1 THR 10 -1.459 -8.914 -6.935 113 1HG2 THR 10 1HG2 THR 10 0.806 -7.499 -4.129 114 2HG2 THR 10 2HG2 THR 10 -0.232 -6.544 -5.189 115 3HG2 THR 10 3HG2 THR 10 1.445 -6.859 -5.642 116 H LEU 11 HN LEU 11 2.100 -10.376 -4.416 117 HA LEU 11 HA LEU 11 3.876 -8.652 -3.297 118 1HB LEU 11 HB2 LEU 11 3.668 -11.613 -3.344 119 2HB LEU 11 HB1 LEU 11 5.162 -10.933 -2.728 120 HG LEU 11 HG LEU 11 3.925 -9.686 -1.032 121 1HD1 LEU 11 1HD1 LEU 11 1.424 -11.124 -1.822 122 2HD1 LEU 11 2HD1 LEU 11 1.841 -9.574 -2.555 123 3HD1 LEU 11 3HD1 LEU 11 1.619 -9.694 -0.809 124 1HD2 LEU 11 1HD2 LEU 11 4.689 -11.864 -0.399 125 2HD2 LEU 11 2HD2 LEU 11 3.301 -12.631 -1.172 126 3HD2 LEU 11 3HD2 LEU 11 3.071 -11.635 0.265 127 H ARG 12 HN ARG 12 4.376 -10.657 -6.092 128 HA ARG 12 HA ARG 12 7.160 -10.501 -6.271 129 1HB ARG 12 HB2 ARG 12 4.956 -11.309 -7.982 130 2HB ARG 12 HB1 ARG 12 6.258 -10.565 -8.899 131 1HG ARG 12 HG2 ARG 12 7.788 -12.174 -7.573 132 2HG ARG 12 HG1 ARG 12 6.294 -13.053 -7.247 133 1HD ARG 12 HD2 ARG 12 6.233 -13.898 -9.311 134 2HD ARG 12 HD1 ARG 12 6.539 -12.324 -10.043 135 HE ARG 12 HE ARG 12 8.461 -14.393 -9.510 136 1HH1 ARG 12 1HH1 ARG 12 8.007 -10.970 -10.013 137 2HH1 ARG 12 2HH1 ARG 12 9.636 -10.705 -10.540 138 1HH2 ARG 12 1HH2 ARG 12 10.602 -14.047 -10.202 139 2HH2 ARG 12 2HH2 ARG 12 11.109 -12.451 -10.647 140 H ARG 13 HN ARG 13 4.644 -8.283 -7.268 141 HA ARG 13 HA ARG 13 6.360 -6.561 -8.773 142 1HB ARG 13 HB2 ARG 13 3.663 -5.984 -7.529 143 2HB ARG 13 HB1 ARG 13 4.459 -5.016 -8.763 144 1HG ARG 13 HG2 ARG 13 3.690 -7.893 -9.172 145 2HG ARG 13 HG1 ARG 13 2.632 -6.537 -9.570 146 1HD ARG 13 HD2 ARG 13 4.181 -5.701 -11.177 147 2HD ARG 13 HD1 ARG 13 5.427 -6.833 -10.652 148 HE ARG 13 HE ARG 13 4.460 -8.454 -11.951 149 1HH1 ARG 13 1HH1 ARG 13 2.225 -5.795 -11.603 150 2HH1 ARG 13 2HH1 ARG 13 1.111 -6.416 -12.774 151 1HH2 ARG 13 1HH2 ARG 13 2.996 -9.270 -13.493 152 2HH2 ARG 13 2HH2 ARG 13 1.547 -8.388 -13.846 153 H LEU 14 HN LEU 14 5.202 -6.714 -5.480 154 HA LEU 14 HA LEU 14 6.194 -4.182 -4.646 155 1HB LEU 14 HB2 LEU 14 5.054 -6.575 -3.345 156 2HB LEU 14 HB1 LEU 14 6.109 -5.600 -2.340 157 HG LEU 14 HG LEU 14 3.900 -4.271 -3.855 158 1HD1 LEU 14 1HD1 LEU 14 2.461 -5.705 -2.867 159 2HD1 LEU 14 2HD1 LEU 14 2.722 -4.648 -1.481 160 3HD1 LEU 14 3HD1 LEU 14 3.608 -6.167 -1.610 161 1HD2 LEU 14 1HD2 LEU 14 4.022 -3.087 -1.457 162 2HD2 LEU 14 2HD2 LEU 14 5.047 -2.621 -2.814 163 3HD2 LEU 14 3HD2 LEU 14 5.674 -3.694 -1.562 164 H LEU 15 HN LEU 15 7.447 -7.494 -4.244 165 HA LEU 15 HA LEU 15 9.821 -6.750 -2.928 166 1HB LEU 15 HB2 LEU 15 9.427 -9.177 -4.670 167 2HB LEU 15 HB1 LEU 15 10.592 -8.982 -3.374 168 HG LEU 15 HG LEU 15 7.679 -8.778 -2.746 169 1HD1 LEU 15 1HD1 LEU 15 8.268 -10.872 -4.167 170 2HD1 LEU 15 2HD1 LEU 15 7.321 -11.055 -2.690 171 3HD1 LEU 15 3HD1 LEU 15 9.044 -11.433 -2.686 172 1HD2 LEU 15 1HD2 LEU 15 8.338 -9.073 -0.606 173 2HD2 LEU 15 2HD2 LEU 15 9.874 -8.471 -1.229 174 3HD2 LEU 15 3HD2 LEU 15 9.617 -10.206 -1.042 175 H GLN 16 HN GLN 16 9.017 -7.136 -6.335 176 HA GLN 16 HA GLN 16 11.739 -6.683 -7.185 177 1HB GLN 16 HB2 GLN 16 9.136 -7.090 -8.630 178 2HB GLN 16 HB1 GLN 16 10.592 -6.607 -9.489 179 1HG GLN 16 HG2 GLN 16 10.696 -8.979 -7.695 180 2HG GLN 16 HG1 GLN 16 9.922 -9.126 -9.272 181 1HE2 GLN 16 1HE2 GLN 16 11.180 -8.688 -11.153 182 2HE2 GLN 16 2HE2 GLN 16 12.897 -8.878 -11.121 183 H GLU 17 HN GLU 17 9.087 -4.711 -6.337 184 HA GLU 17 HA GLU 17 9.391 -2.555 -8.099 185 1HB GLU 17 HB2 GLU 17 7.851 -3.147 -5.818 186 2HB GLU 17 HB1 GLU 17 8.699 -1.653 -5.447 187 1HG GLU 17 HG2 GLU 17 7.701 -0.502 -7.198 188 2HG GLU 17 HG1 GLU 17 7.243 -1.983 -8.037 189 H ARG 18 HN ARG 18 11.407 -3.665 -5.565 190 HA ARG 18 HA ARG 18 12.619 -1.321 -4.682 191 1HB ARG 18 HB2 ARG 18 14.482 -2.703 -3.987 192 2HB ARG 18 HB1 ARG 18 12.972 -3.545 -3.665 193 1HG ARG 18 HG2 ARG 18 13.376 -5.159 -5.216 194 2HG ARG 18 HG1 ARG 18 14.331 -4.090 -6.245 195 1HD ARG 18 HD2 ARG 18 16.227 -4.780 -5.310 196 2HD ARG 18 HD1 ARG 18 15.612 -4.450 -3.691 197 HE ARG 18 HE ARG 18 15.753 -6.995 -5.004 198 1HH1 ARG 18 1HH1 ARG 18 14.071 -5.140 -2.574 199 2HH1 ARG 18 2HH1 ARG 18 13.552 -6.535 -1.689 200 1HH2 ARG 18 1HH2 ARG 18 15.071 -8.832 -3.842 201 2HH2 ARG 18 2HH2 ARG 18 14.119 -8.631 -2.409 202 H GLU 19 HN GLU 19 12.946 -3.001 -7.701 203 HA GLU 19 HA GLU 19 14.630 -0.860 -8.700 204 1HB GLU 19 HB2 GLU 19 16.314 -2.378 -9.636 205 2HB GLU 19 HB1 GLU 19 16.276 -2.462 -7.880 206 1HG GLU 19 HG2 GLU 19 14.762 -4.488 -8.176 207 2HG GLU 19 HG1 GLU 19 15.262 -4.463 -9.866 208 H LEU 20 HN LEU 20 12.025 -1.265 -9.339 209 HA LEU 20 HA LEU 20 12.227 -1.980 -12.161 210 1HB LEU 20 HB2 LEU 20 10.639 -3.430 -10.151 211 2HB LEU 20 HB1 LEU 20 9.758 -2.989 -11.601 212 HG LEU 20 HG LEU 20 11.640 -4.094 -12.914 213 1HD1 LEU 20 1HD1 LEU 20 13.432 -4.728 -11.768 214 2HD1 LEU 20 2HD1 LEU 20 12.443 -5.994 -11.043 215 3HD1 LEU 20 3HD1 LEU 20 12.626 -4.442 -10.226 216 1HD2 LEU 20 1HD2 LEU 20 9.565 -5.414 -11.261 217 2HD2 LEU 20 2HD2 LEU 20 10.747 -6.450 -12.062 218 3HD2 LEU 20 3HD2 LEU 20 9.750 -5.350 -13.014 219 H VAL 21 HN VAL 21 9.414 -1.363 -10.086 220 HA VAL 21 HA VAL 21 8.440 0.651 -11.880 221 HB VAL 21 HB VAL 21 7.404 0.029 -9.115 222 1HG1 VAL 21 1HG1 VAL 21 6.098 1.233 -11.552 223 2HG1 VAL 21 2HG1 VAL 21 6.533 2.081 -10.068 224 3HG1 VAL 21 3HG1 VAL 21 5.274 0.845 -10.043 225 1HG2 VAL 21 1HG2 VAL 21 6.821 -1.321 -11.745 226 2HG2 VAL 21 2HG2 VAL 21 5.795 -1.473 -10.318 227 3HG2 VAL 21 3HG2 VAL 21 7.460 -2.054 -10.273 228 H GLU 22 HN GLU 22 9.317 2.613 -11.943 229 HA GLU 22 HA GLU 22 9.232 4.404 -9.809 230 1HB GLU 22 HB2 GLU 22 11.646 2.761 -9.915 231 2HB GLU 22 HB1 GLU 22 11.993 4.485 -9.946 232 1HG GLU 22 HG2 GLU 22 11.348 4.790 -7.818 233 2HG GLU 22 HG1 GLU 22 10.018 3.639 -7.942 234 HA PRO 23 HA PRO 23 12.099 6.197 -13.459 235 1HB PRO 23 HB2 PRO 23 11.300 4.071 -15.400 236 2HB PRO 23 HB1 PRO 23 12.807 4.987 -15.293 237 1HG PRO 23 HG2 PRO 23 12.698 2.477 -14.428 238 2HG PRO 23 HG1 PRO 23 13.619 3.704 -13.538 239 1HD PRO 23 HD2 PRO 23 10.984 2.472 -12.894 240 2HD PRO 23 HD1 PRO 23 12.268 3.028 -11.803 241 H LEU 24 HN LEU 24 8.994 4.602 -13.720 242 HA LEU 24 HA LEU 24 7.980 6.359 -15.750 243 1HB LEU 24 HB2 LEU 24 5.966 5.175 -15.592 244 2HB LEU 24 HB1 LEU 24 7.210 3.979 -15.291 245 HG LEU 24 HG LEU 24 5.710 5.345 -13.062 246 1HD1 LEU 24 1HD1 LEU 24 4.946 3.031 -14.768 247 2HD1 LEU 24 2HD1 LEU 24 3.939 4.284 -14.042 248 3HD1 LEU 24 3HD1 LEU 24 4.573 2.975 -13.044 249 1HD2 LEU 24 1HD2 LEU 24 7.676 4.368 -12.232 250 2HD2 LEU 24 2HD2 LEU 24 7.511 2.950 -13.269 251 3HD2 LEU 24 3HD2 LEU 24 6.410 3.181 -11.910 252 H THR 25 HN THR 25 8.142 6.344 -12.294 253 HA THR 25 HA THR 25 6.271 8.589 -12.104 254 HB THR 25 HB THR 25 6.166 8.154 -9.767 255 HG1 THR 25 HG1 THR 25 8.360 7.810 -9.360 256 1HG2 THR 25 1HG2 THR 25 5.229 6.076 -9.663 257 2HG2 THR 25 2HG2 THR 25 6.459 5.348 -10.696 258 3HG2 THR 25 3HG2 THR 25 5.200 6.362 -11.403 259 HA PRO 26 HA PRO 26 9.448 11.592 -11.586 260 1HB PRO 26 HB2 PRO 26 8.401 13.253 -9.707 261 2HB PRO 26 HB1 PRO 26 7.823 13.196 -11.376 262 1HG PRO 26 HG2 PRO 26 6.678 11.910 -8.928 263 2HG PRO 26 HG1 PRO 26 5.841 12.748 -10.247 264 1HD PRO 26 HD2 PRO 26 5.964 10.051 -10.086 265 2HD PRO 26 HD1 PRO 26 5.926 10.911 -11.638 266 H SER 27 HN SER 27 8.308 9.941 -8.720 267 HA SER 27 HA SER 27 10.939 10.411 -7.478 268 1HB SER 27 HB2 SER 27 9.769 10.148 -5.267 269 2HB SER 27 HB1 SER 27 9.303 11.592 -6.166 270 HG SER 27 HG SER 27 7.590 10.160 -5.196 271 H GLY 28 HN GLY 28 8.141 8.224 -7.136 272 1HA GLY 28 HA2 GLY 28 8.665 5.868 -7.940 273 2HA GLY 28 HA1 GLY 28 10.057 5.992 -6.874 274 H GLU 29 HN GLU 29 9.835 5.248 -4.874 275 HA GLU 29 HA GLU 29 7.140 4.580 -3.943 276 1HB GLU 29 HB2 GLU 29 9.885 3.571 -3.296 277 2HB GLU 29 HB1 GLU 29 8.589 3.360 -2.127 278 1HG GLU 29 HG2 GLU 29 7.732 2.559 -4.755 279 2HG GLU 29 HG1 GLU 29 9.209 1.717 -4.289 280 H ALA 30 HN ALA 30 8.022 7.303 -3.892 281 HA ALA 30 HA ALA 30 8.826 7.956 -1.214 282 1HB ALA 30 HB1 ALA 30 9.217 9.279 -3.421 283 2HB ALA 30 HB2 ALA 30 8.929 10.152 -1.915 284 3HB ALA 30 HB3 ALA 30 7.622 9.950 -3.082 285 HA PRO 31 HA PRO 31 4.892 7.765 0.824 286 1HB PRO 31 HB2 PRO 31 5.890 10.181 2.254 287 2HB PRO 31 HB1 PRO 31 5.245 8.672 2.909 288 1HG PRO 31 HG2 PRO 31 7.859 9.168 2.970 289 2HG PRO 31 HG1 PRO 31 7.248 7.538 2.628 290 1HD PRO 31 HD2 PRO 31 8.387 9.569 0.761 291 2HD PRO 31 HD1 PRO 31 8.543 7.800 0.739 292 H ASN 32 HN ASN 32 6.110 10.998 -0.030 293 HA ASN 32 HA ASN 32 3.865 12.511 0.043 294 1HB ASN 32 HB2 ASN 32 4.832 13.735 -1.986 295 2HB ASN 32 HB1 ASN 32 5.865 13.594 -0.566 296 1HD2 ASN 32 1HD2 ASN 32 5.527 12.959 -3.872 297 2HD2 ASN 32 2HD2 ASN 32 6.987 12.063 -4.096 298 H GLN 33 HN GLN 33 4.801 10.433 -2.704 299 HA GLN 33 HA GLN 33 2.493 11.071 -4.236 300 1HB GLN 33 HB2 GLN 33 4.064 8.532 -4.540 301 2HB GLN 33 HB1 GLN 33 3.192 9.436 -5.768 302 1HG GLN 33 HG2 GLN 33 5.700 10.359 -4.383 303 2HG GLN 33 HG1 GLN 33 5.621 9.648 -5.993 304 1HE2 GLN 33 1HE2 GLN 33 6.454 11.452 -6.998 305 2HE2 GLN 33 2HE2 GLN 33 5.564 12.923 -7.166 306 H ALA 34 HN ALA 34 3.097 8.841 -1.666 307 HA ALA 34 HA ALA 34 0.991 7.022 -2.187 308 1HB ALA 34 HB1 ALA 34 1.685 6.006 -0.306 309 2HB ALA 34 HB2 ALA 34 1.583 7.491 0.640 310 3HB ALA 34 HB3 ALA 34 3.015 7.164 -0.337 311 H LEU 35 HN LEU 35 1.277 9.764 0.050 312 HA LEU 35 HA LEU 35 -1.467 9.874 0.718 313 1HB LEU 35 HB2 LEU 35 0.467 12.179 0.780 314 2HB LEU 35 HB1 LEU 35 -0.972 11.966 1.759 315 HG LEU 35 HG LEU 35 1.076 9.862 2.057 316 1HD1 LEU 35 1HD1 LEU 35 2.485 11.219 3.512 317 2HD1 LEU 35 2HD1 LEU 35 1.548 12.654 3.093 318 3HD1 LEU 35 3HD1 LEU 35 2.502 11.831 1.858 319 1HD2 LEU 35 1HD2 LEU 35 -0.069 11.415 4.306 320 2HD2 LEU 35 2HD2 LEU 35 0.208 9.681 4.150 321 3HD2 LEU 35 3HD2 LEU 35 -1.176 10.428 3.353 322 H LEU 36 HN LEU 36 0.496 11.227 -1.817 323 HA LEU 36 HA LEU 36 -1.186 13.220 -2.761 324 1HB LEU 36 HB2 LEU 36 1.137 12.948 -3.477 325 2HB LEU 36 HB1 LEU 36 0.702 11.503 -4.363 326 HG LEU 36 HG LEU 36 -1.020 13.314 -5.449 327 1HD1 LEU 36 1HD1 LEU 36 1.308 14.775 -4.354 328 2HD1 LEU 36 2HD1 LEU 36 -0.340 15.325 -4.658 329 3HD1 LEU 36 3HD1 LEU 36 0.801 15.179 -5.994 330 1HD2 LEU 36 1HD2 LEU 36 0.120 12.914 -7.373 331 2HD2 LEU 36 2HD2 LEU 36 0.849 11.661 -6.369 332 3HD2 LEU 36 3HD2 LEU 36 1.695 13.187 -6.629 333 H ARG 37 HN ARG 37 -1.146 9.742 -3.656 334 HA ARG 37 HA ARG 37 -3.556 10.257 -5.248 335 1HB ARG 37 HB2 ARG 37 -1.538 9.120 -6.268 336 2HB ARG 37 HB1 ARG 37 -1.902 7.741 -5.240 337 1HG ARG 37 HG2 ARG 37 -4.244 7.836 -6.306 338 2HG ARG 37 HG1 ARG 37 -3.476 8.847 -7.531 339 1HD ARG 37 HD2 ARG 37 -1.838 6.557 -7.058 340 2HD ARG 37 HD1 ARG 37 -3.494 6.025 -7.341 341 HE ARG 37 HE ARG 37 -2.666 7.959 -9.260 342 1HH1 ARG 37 1HH1 ARG 37 -2.410 4.583 -8.413 343 2HH1 ARG 37 2HH1 ARG 37 -2.125 4.067 -10.042 344 1HH2 ARG 37 1HH2 ARG 37 -2.291 7.282 -11.403 345 2HH2 ARG 37 2HH2 ARG 37 -2.056 5.600 -11.739 346 H ILE 38 HN ILE 38 -2.646 8.801 -2.238 347 HA ILE 38 HA ILE 38 -4.803 6.898 -2.255 348 HB ILE 38 HB ILE 38 -2.900 6.456 -0.813 349 1HG1 ILE 38 2HG1 ILE 38 -4.660 6.806 1.406 350 2HG1 ILE 38 1HG1 ILE 38 -5.639 6.443 -0.010 351 1HG2 ILE 38 1HG2 ILE 38 -2.768 9.063 -0.307 352 2HG2 ILE 38 2HG2 ILE 38 -2.073 7.853 0.769 353 3HG2 ILE 38 3HG2 ILE 38 -3.649 8.555 1.132 354 1HD1 ILE 38 1HD1 ILE 38 -5.027 4.308 0.007 355 2HD1 ILE 38 2HD1 ILE 38 -4.365 4.621 1.612 356 3HD1 ILE 38 3HD1 ILE 38 -3.321 4.713 0.194 357 H LEU 39 HN LEU 39 -4.302 10.021 -0.632 358 HA LEU 39 HA LEU 39 -6.907 10.115 0.493 359 1HB LEU 39 HB2 LEU 39 -4.650 12.010 0.154 360 2HB LEU 39 HB1 LEU 39 -6.236 12.718 0.389 361 HG LEU 39 HG LEU 39 -5.044 12.535 2.502 362 1HD1 LEU 39 1HD1 LEU 39 -6.821 10.659 3.436 363 2HD1 LEU 39 2HD1 LEU 39 -7.595 11.238 1.960 364 3HD1 LEU 39 3HD1 LEU 39 -7.148 12.379 3.227 365 1HD2 LEU 39 1HD2 LEU 39 -3.763 10.462 1.691 366 2HD2 LEU 39 2HD2 LEU 39 -5.156 9.550 2.273 367 3HD2 LEU 39 3HD2 LEU 39 -4.224 10.545 3.392 368 H LYS 40 HN LYS 40 -5.671 10.635 -2.627 369 HA LYS 40 HA LYS 40 -7.926 12.284 -3.470 370 1HB LYS 40 HB2 LYS 40 -5.325 11.467 -4.734 371 2HB LYS 40 HB1 LYS 40 -6.613 12.173 -5.695 372 1HG LYS 40 HG2 LYS 40 -4.726 13.670 -4.744 373 2HG LYS 40 HG1 LYS 40 -6.390 14.241 -4.730 374 1HD LYS 40 HD2 LYS 40 -5.944 14.730 -2.575 375 2HD LYS 40 HD1 LYS 40 -6.245 13.022 -2.304 376 1HE LYS 40 HE2 LYS 40 -4.165 13.820 -1.250 377 2HE LYS 40 HE1 LYS 40 -3.897 12.531 -2.420 378 1HZ LYS 40 HZ1 LYS 40 -2.830 13.920 -3.843 379 2HZ LYS 40 HZ2 LYS 40 -2.456 14.722 -2.401 380 3HZ LYS 40 HZ3 LYS 40 -3.714 15.286 -3.379 381 H GLU 41 HN GLU 41 -6.554 9.082 -3.954 382 HA GLU 41 HA GLU 41 -8.700 8.400 -5.824 383 1HB GLU 41 HB2 GLU 41 -7.497 6.453 -6.361 384 2HB GLU 41 HB1 GLU 41 -6.258 7.678 -6.128 385 1HG GLU 41 HG2 GLU 41 -5.269 6.197 -4.806 386 2HG GLU 41 HG1 GLU 41 -6.508 6.610 -3.623 387 H THR 42 HN THR 42 -8.372 8.579 -2.591 388 HA THR 42 HA THR 42 -10.475 6.592 -2.178 389 HB THR 42 HB THR 42 -8.004 6.929 -0.475 390 HG1 THR 42 HG1 THR 42 -8.988 4.849 -2.109 391 1HG2 THR 42 1HG2 THR 42 -9.679 6.520 1.103 392 2HG2 THR 42 2HG2 THR 42 -8.960 4.944 0.771 393 3HG2 THR 42 3HG2 THR 42 -10.509 5.377 0.050 394 H GLU 43 HN GLU 43 -9.798 9.715 -2.190 395 HA GLU 43 HA GLU 43 -10.252 10.946 0.164 396 1HB GLU 43 HB2 GLU 43 -11.728 12.591 -1.184 397 2HB GLU 43 HB1 GLU 43 -10.048 12.396 -1.649 398 1HG GLU 43 HG2 GLU 43 -11.136 10.553 -3.245 399 2HG GLU 43 HG1 GLU 43 -12.519 11.630 -3.073 400 H PHE 44 HN PHE 44 -12.962 10.013 -1.975 401 HA PHE 44 HA PHE 44 -14.750 10.132 0.315 402 1HB PHE 44 HB2 PHE 44 -15.143 10.060 -2.655 403 2HB PHE 44 HB1 PHE 44 -16.474 9.654 -1.577 404 HD1 PHE 44 HD1 PHE 44 -17.387 11.344 -0.045 405 HD2 PHE 44 HD2 PHE 44 -14.390 12.304 -2.910 406 HE1 PHE 44 HE1 PHE 44 -17.892 13.737 0.234 407 HE2 PHE 44 HE2 PHE 44 -14.889 14.697 -2.636 408 HZ PHE 44 HZ PHE 44 -16.642 15.416 -1.063 409 H LYS 45 HN LYS 45 -13.160 7.812 -1.713 410 HA LYS 45 HA LYS 45 -14.860 5.645 -1.594 411 1HB LYS 45 HB2 LYS 45 -11.861 5.490 -1.335 412 2HB LYS 45 HB1 LYS 45 -12.935 4.251 -1.968 413 1HG LYS 45 HG2 LYS 45 -12.285 6.911 -3.214 414 2HG LYS 45 HG1 LYS 45 -11.840 5.308 -3.802 415 1HD LYS 45 HD2 LYS 45 -14.103 4.783 -4.323 416 2HD LYS 45 HD1 LYS 45 -14.694 6.216 -3.479 417 1HE LYS 45 HE2 LYS 45 -13.571 7.640 -5.129 418 2HE LYS 45 HE1 LYS 45 -12.998 6.202 -5.974 419 1HZ LYS 45 HZ1 LYS 45 -15.258 7.494 -6.577 420 2HZ LYS 45 HZ2 LYS 45 -15.858 6.310 -5.528 421 3HZ LYS 45 HZ3 LYS 45 -14.994 5.856 -6.909 422 H LYS 46 HN LYS 46 -12.181 6.225 0.709 423 HA LYS 46 HA LYS 46 -12.928 4.120 2.421 424 1HB LYS 46 HB2 LYS 46 -11.333 5.036 4.006 425 2HB LYS 46 HB1 LYS 46 -10.668 5.046 2.381 426 1HG LYS 46 HG2 LYS 46 -11.341 7.463 2.234 427 2HG LYS 46 HG1 LYS 46 -11.713 7.381 3.956 428 1HD LYS 46 HD2 LYS 46 -9.094 6.287 3.372 429 2HD LYS 46 HD1 LYS 46 -9.245 7.952 2.808 430 1HE LYS 46 HE2 LYS 46 -8.428 8.010 5.051 431 2HE LYS 46 HE1 LYS 46 -10.103 8.563 5.070 432 1HZ LYS 46 HZ1 LYS 46 -10.502 6.010 5.528 433 2HZ LYS 46 HZ2 LYS 46 -10.174 7.099 6.779 434 3HZ LYS 46 HZ3 LYS 46 -8.938 6.120 6.166 435 H ILE 47 HN ILE 47 -13.421 7.642 2.860 436 HA ILE 47 HA ILE 47 -14.626 7.585 5.318 437 HB ILE 47 HB ILE 47 -15.906 9.647 4.561 438 1HG1 ILE 47 2HG1 ILE 47 -14.426 10.373 2.333 439 2HG1 ILE 47 1HG1 ILE 47 -14.856 8.699 2.006 440 1HG2 ILE 47 1HG2 ILE 47 -12.931 9.349 4.471 441 2HG2 ILE 47 2HG2 ILE 47 -13.946 10.024 5.745 442 3HG2 ILE 47 3HG2 ILE 47 -13.692 10.925 4.251 443 1HD1 ILE 47 1HD1 ILE 47 -16.435 11.006 1.688 444 2HD1 ILE 47 2HD1 ILE 47 -17.156 10.055 2.987 445 3HD1 ILE 47 3HD1 ILE 47 -16.885 9.325 1.404 446 H LYS 48 HN LYS 48 -16.421 7.556 2.210 447 HA LYS 48 HA LYS 48 -18.948 7.225 3.308 448 1HB LYS 48 HB2 LYS 48 -19.627 6.333 1.131 449 2HB LYS 48 HB1 LYS 48 -18.583 7.733 0.938 450 1HG LYS 48 HG2 LYS 48 -17.467 6.478 -0.521 451 2HG LYS 48 HG1 LYS 48 -16.793 5.672 0.896 452 1HD LYS 48 HD2 LYS 48 -17.597 3.953 -0.517 453 2HD LYS 48 HD1 LYS 48 -18.776 4.104 0.786 454 1HE LYS 48 HE2 LYS 48 -20.345 5.139 -0.585 455 2HE LYS 48 HE1 LYS 48 -19.132 5.613 -1.774 456 1HZ LYS 48 HZ1 LYS 48 -20.223 3.858 -2.782 457 2HZ LYS 48 HZ2 LYS 48 -20.370 2.971 -1.351 458 3HZ LYS 48 HZ3 LYS 48 -18.867 3.097 -2.115 459 H VAL 49 HN VAL 49 -16.417 4.882 2.679 460 HA VAL 49 HA VAL 49 -18.048 2.588 3.196 461 HB VAL 49 HB VAL 49 -15.041 2.871 3.157 462 1HG1 VAL 49 1HG1 VAL 49 -14.936 0.814 3.994 463 2HG1 VAL 49 2HG1 VAL 49 -15.801 0.230 2.572 464 3HG1 VAL 49 3HG1 VAL 49 -16.694 0.691 4.021 465 1HG2 VAL 49 1HG2 VAL 49 -16.571 3.254 1.052 466 2HG2 VAL 49 2HG2 VAL 49 -16.621 1.491 1.044 467 3HG2 VAL 49 3HG2 VAL 49 -15.073 2.330 0.930 468 H LEU 50 HN LEU 50 -15.811 4.543 5.112 469 HA LEU 50 HA LEU 50 -15.776 2.890 7.393 470 1HB LEU 50 HB2 LEU 50 -15.405 5.879 7.192 471 2HB LEU 50 HB1 LEU 50 -14.991 4.900 8.587 472 HG LEU 50 HG LEU 50 -13.769 4.196 5.963 473 1HD1 LEU 50 1HD1 LEU 50 -13.069 6.329 5.729 474 2HD1 LEU 50 2HD1 LEU 50 -11.887 5.843 6.944 475 3HD1 LEU 50 3HD1 LEU 50 -13.339 6.720 7.428 476 1HD2 LEU 50 1HD2 LEU 50 -11.953 3.461 7.341 477 2HD2 LEU 50 2HD2 LEU 50 -13.456 2.841 8.026 478 3HD2 LEU 50 3HD2 LEU 50 -12.657 4.229 8.763 479 H GLY 51 HN GLY 51 -18.039 5.274 6.238 480 1HA GLY 51 HA2 GLY 51 -19.577 5.053 8.739 481 2HA GLY 51 HA1 GLY 51 -19.776 6.317 7.532 482 H SER 52 HN SER 52 -19.422 3.002 6.583 483 HA SER 52 HA SER 52 -21.913 3.037 5.193 484 1HB SER 52 HB2 SER 52 -19.930 1.824 4.346 485 2HB SER 52 HB1 SER 52 -20.040 0.714 5.713 486 HG SER 52 HG SER 52 -21.243 -0.362 4.344 487 H GLY 53 HN GLY 53 -20.684 0.982 7.846 488 1HA GLY 53 HA2 GLY 53 -23.205 -0.210 8.377 489 2HA GLY 53 HA1 GLY 53 -21.802 -0.249 9.434 Start of MODEL 8 1 1H ARG 1 HT1 ARG 1 17.688 -8.740 1.259 2 2H ARG 1 HT2 ARG 1 16.100 -9.158 1.760 3 3H ARG 1 HT3 ARG 1 17.455 -9.954 2.448 4 HA ARG 1 HA ARG 1 17.046 -7.058 2.660 5 1HB ARG 1 HB2 ARG 1 15.113 -8.497 3.532 6 2HB ARG 1 HB1 ARG 1 16.250 -9.108 4.725 7 1HG ARG 1 HG2 ARG 1 16.642 -6.683 5.371 8 2HG ARG 1 HG1 ARG 1 15.214 -6.311 4.403 9 1HD ARG 1 HD2 ARG 1 14.222 -8.310 5.871 10 2HD ARG 1 HD1 ARG 1 15.444 -7.723 6.998 11 HE ARG 1 HE ARG 1 12.999 -6.410 6.246 12 1HH1 ARG 1 1HH1 ARG 1 16.226 -5.954 7.494 13 2HH1 ARG 1 2HH1 ARG 1 15.844 -4.462 8.286 14 1HH2 ARG 1 1HH2 ARG 1 12.493 -4.449 7.286 15 2HH2 ARG 1 2HH2 ARG 1 13.723 -3.608 8.168 16 H ARG 2 HN ARG 2 18.409 -6.117 4.210 17 HA ARG 2 HA ARG 2 20.746 -7.763 4.891 18 1HB ARG 2 HB2 ARG 2 20.682 -5.406 3.555 19 2HB ARG 2 HB1 ARG 2 20.901 -4.827 5.200 20 1HG ARG 2 HG2 ARG 2 23.072 -5.182 4.940 21 2HG ARG 2 HG1 ARG 2 22.721 -6.911 4.949 22 1HD ARG 2 HD2 ARG 2 22.607 -6.991 2.582 23 2HD ARG 2 HD1 ARG 2 22.596 -5.232 2.456 24 HE ARG 2 HE ARG 2 24.960 -6.216 3.722 25 1HH1 ARG 2 1HH1 ARG 2 23.444 -5.685 0.624 26 2HH1 ARG 2 2HH1 ARG 2 24.945 -5.559 -0.229 27 1HH2 ARG 2 1HH2 ARG 2 26.936 -6.050 2.601 28 2HH2 ARG 2 2HH2 ARG 2 26.928 -5.766 0.892 29 H ARG 3 HN ARG 3 21.881 -6.190 6.850 30 HA ARG 3 HA ARG 3 19.973 -6.554 9.056 31 1HB ARG 3 HB2 ARG 3 22.746 -7.269 8.695 32 2HB ARG 3 HB1 ARG 3 22.563 -6.235 10.105 33 1HG ARG 3 HG2 ARG 3 22.175 -8.196 11.136 34 2HG ARG 3 HG1 ARG 3 20.537 -7.939 10.534 35 1HD ARG 3 HD2 ARG 3 20.681 -9.633 9.062 36 2HD ARG 3 HD1 ARG 3 22.347 -9.250 8.634 37 HE ARG 3 HE ARG 3 21.470 -11.201 10.510 38 1HH1 ARG 3 1HH1 ARG 3 24.038 -8.930 9.857 39 2HH1 ARG 3 2HH1 ARG 3 25.225 -9.824 10.746 40 1HH2 ARG 3 1HH2 ARG 3 23.028 -12.377 11.683 41 2HH2 ARG 3 2HH2 ARG 3 24.651 -11.781 11.783 42 H HIS 4 HN HIS 4 20.595 -5.091 11.012 43 HA HIS 4 HA HIS 4 21.321 -2.402 10.104 44 1HB HIS 4 HB2 HIS 4 19.407 -1.507 11.510 45 2HB HIS 4 HB1 HIS 4 18.949 -2.304 10.008 46 HD1 HIS 4 HD1 HIS 4 19.108 -3.010 13.727 47 HD2 HIS 4 HD2 HIS 4 17.183 -4.364 10.302 48 HE1 HIS 4 HE1 HIS 4 17.386 -4.657 14.530 49 HE2 HIS 4 HE2 HIS 4 16.185 -5.409 12.448 50 H ILE 5 HN ILE 5 23.272 -3.335 11.278 51 HA ILE 5 HA ILE 5 23.019 -2.782 14.165 52 HB ILE 5 HB ILE 5 25.030 -4.625 12.872 53 1HG1 ILE 5 2HG1 ILE 5 23.436 -6.129 14.564 54 2HG1 ILE 5 1HG1 ILE 5 22.283 -5.054 13.782 55 1HG2 ILE 5 1HG2 ILE 5 26.025 -3.837 14.820 56 2HG2 ILE 5 2HG2 ILE 5 25.256 -5.337 15.338 57 3HG2 ILE 5 3HG2 ILE 5 24.496 -3.787 15.697 58 1HD1 ILE 5 1HD1 ILE 5 23.578 -7.390 12.759 59 2HD1 ILE 5 2HD1 ILE 5 23.947 -5.996 11.743 60 3HD1 ILE 5 3HD1 ILE 5 22.269 -6.437 12.062 61 H VAL 6 HN VAL 6 24.273 -1.594 11.317 62 HA VAL 6 HA VAL 6 26.677 -0.491 12.557 63 HB VAL 6 HB VAL 6 26.848 -1.434 10.274 64 1HG1 VAL 6 1HG1 VAL 6 24.763 -0.937 9.291 65 2HG1 VAL 6 2HG1 VAL 6 25.952 0.016 8.405 66 3HG1 VAL 6 3HG1 VAL 6 24.930 0.787 9.619 67 1HG2 VAL 6 1HG2 VAL 6 28.147 0.654 11.268 68 2HG2 VAL 6 2HG2 VAL 6 27.369 1.464 9.909 69 3HG2 VAL 6 3HG2 VAL 6 28.421 0.078 9.624 70 H ARG 7 HN ARG 7 23.919 0.354 13.295 71 HA ARG 7 HA ARG 7 22.866 2.274 13.908 72 1HB ARG 7 HB2 ARG 7 25.641 2.923 13.764 73 2HB ARG 7 HB1 ARG 7 24.725 4.299 13.170 74 1HG ARG 7 HG2 ARG 7 23.766 4.714 15.193 75 2HG ARG 7 HG1 ARG 7 23.824 3.022 15.692 76 1HD ARG 7 HD2 ARG 7 26.393 4.475 15.318 77 2HD ARG 7 HD1 ARG 7 25.427 4.843 16.744 78 HE ARG 7 HE ARG 7 25.744 2.645 17.509 79 1HH1 ARG 7 1HH1 ARG 7 27.426 3.235 14.497 80 2HH1 ARG 7 2HH1 ARG 7 28.446 1.847 14.659 81 1HH2 ARG 7 1HH2 ARG 7 27.093 0.827 17.711 82 2HH2 ARG 7 2HH2 ARG 7 28.259 0.484 16.478 83 H LYS 8 HN LYS 8 22.882 4.848 12.845 84 HA LYS 8 HA LYS 8 21.067 4.746 10.803 85 1HB LYS 8 HB2 LYS 8 21.681 6.742 12.203 86 2HB LYS 8 HB1 LYS 8 23.068 6.977 11.148 87 1HG LYS 8 HG2 LYS 8 21.049 6.819 9.339 88 2HG LYS 8 HG1 LYS 8 20.236 7.582 10.707 89 1HD LYS 8 HD2 LYS 8 21.267 9.524 10.331 90 2HD LYS 8 HD1 LYS 8 22.847 8.742 10.261 91 1HE LYS 8 HE2 LYS 8 22.899 8.876 8.040 92 2HE LYS 8 HE1 LYS 8 21.293 8.162 7.897 93 1HZ LYS 8 HZ1 LYS 8 21.884 10.676 7.214 94 2HZ LYS 8 HZ2 LYS 8 21.343 10.915 8.799 95 3HZ LYS 8 HZ3 LYS 8 20.336 10.162 7.667 96 H ARG 9 HN ARG 9 24.414 4.120 10.516 97 HA ARG 9 HA ARG 9 24.763 4.918 7.806 98 1HB ARG 9 HB2 ARG 9 26.363 3.772 9.873 99 2HB ARG 9 HB1 ARG 9 26.512 2.758 8.444 100 1HG ARG 9 HG2 ARG 9 27.031 5.721 8.586 101 2HG ARG 9 HG1 ARG 9 28.246 4.445 8.484 102 1HD ARG 9 HD2 ARG 9 27.301 3.768 6.304 103 2HD ARG 9 HD1 ARG 9 26.166 5.113 6.404 104 HE ARG 9 HE ARG 9 28.900 5.239 5.618 105 1HH1 ARG 9 1HH1 ARG 9 26.373 7.032 7.223 106 2HH1 ARG 9 2HH1 ARG 9 27.056 8.578 6.844 107 1HH2 ARG 9 1HH2 ARG 9 29.801 7.272 5.117 108 2HH2 ARG 9 2HH2 ARG 9 29.002 8.714 5.648 109 H THR 10 HN THR 10 23.013 2.417 9.238 110 HA THR 10 HA THR 10 23.297 0.559 7.024 111 HB THR 10 HB THR 10 23.043 0.016 9.568 112 HG1 THR 10 HG1 THR 10 21.569 -1.394 7.601 113 1HG2 THR 10 1HG2 THR 10 20.781 -0.546 10.247 114 2HG2 THR 10 2HG2 THR 10 20.151 0.180 8.768 115 3HG2 THR 10 3HG2 THR 10 20.957 1.187 9.971 116 H LEU 11 HN LEU 11 20.718 2.464 8.570 117 HA LEU 11 HA LEU 11 18.634 1.788 6.870 118 1HB LEU 11 HB2 LEU 11 17.653 4.004 7.509 119 2HB LEU 11 HB1 LEU 11 18.133 2.987 8.854 120 HG LEU 11 HG LEU 11 20.273 4.343 8.954 121 1HD1 LEU 11 1HD1 LEU 11 18.864 5.707 6.759 122 2HD1 LEU 11 2HD1 LEU 11 20.589 5.592 7.106 123 3HD1 LEU 11 3HD1 LEU 11 19.591 6.759 7.974 124 1HD2 LEU 11 1HD2 LEU 11 18.004 6.185 9.443 125 2HD2 LEU 11 2HD2 LEU 11 19.341 5.728 10.497 126 3HD2 LEU 11 3HD2 LEU 11 17.984 4.626 10.266 127 H ARG 12 HN ARG 12 21.413 3.700 6.253 128 HA ARG 12 HA ARG 12 20.384 5.313 4.186 129 1HB ARG 12 HB2 ARG 12 22.862 4.939 5.484 130 2HB ARG 12 HB1 ARG 12 23.159 4.687 3.768 131 1HG ARG 12 HG2 ARG 12 22.109 6.862 3.288 132 2HG ARG 12 HG1 ARG 12 21.898 7.117 5.022 133 1HD ARG 12 HD2 ARG 12 24.544 6.516 4.894 134 2HD ARG 12 HD1 ARG 12 24.305 7.339 3.353 135 HE ARG 12 HE ARG 12 23.263 8.663 5.726 136 1HH1 ARG 12 1HH1 ARG 12 25.835 8.433 3.367 137 2HH1 ARG 12 2HH1 ARG 12 26.440 10.022 3.692 138 1HH2 ARG 12 1HH2 ARG 12 24.067 10.749 6.152 139 2HH2 ARG 12 2HH2 ARG 12 25.439 11.335 5.272 140 H ARG 13 HN ARG 13 21.000 1.981 4.352 141 HA ARG 13 HA ARG 13 21.664 1.583 1.595 142 1HB ARG 13 HB2 ARG 13 21.668 -0.726 2.067 143 2HB ARG 13 HB1 ARG 13 22.274 0.043 3.526 144 1HG ARG 13 HG2 ARG 13 20.810 -1.264 4.581 145 2HG ARG 13 HG1 ARG 13 19.603 -0.093 4.047 146 1HD ARG 13 HD2 ARG 13 19.410 -1.502 1.934 147 2HD ARG 13 HD1 ARG 13 20.325 -2.733 2.805 148 HE ARG 13 HE ARG 13 17.990 -1.755 4.191 149 1HH1 ARG 13 1HH1 ARG 13 19.246 -4.133 1.964 150 2HH1 ARG 13 2HH1 ARG 13 17.978 -5.271 2.271 151 1HH2 ARG 13 1HH2 ARG 13 16.323 -3.251 4.593 152 2HH2 ARG 13 2HH2 ARG 13 16.319 -4.770 3.762 153 H LEU 14 HN LEU 14 18.698 1.506 3.521 154 HA LEU 14 HA LEU 14 17.057 0.402 1.487 155 1HB LEU 14 HB2 LEU 14 16.738 0.947 4.138 156 2HB LEU 14 HB1 LEU 14 15.779 2.222 3.413 157 HG LEU 14 HG LEU 14 15.410 -0.709 2.799 158 1HD1 LEU 14 1HD1 LEU 14 13.477 0.850 4.436 159 2HD1 LEU 14 2HD1 LEU 14 14.930 0.220 5.214 160 3HD1 LEU 14 3HD1 LEU 14 13.807 -0.882 4.418 161 1HD2 LEU 14 1HD2 LEU 14 14.658 1.319 1.255 162 2HD2 LEU 14 2HD2 LEU 14 13.307 1.340 2.389 163 3HD2 LEU 14 3HD2 LEU 14 13.663 -0.121 1.469 164 H LEU 15 HN LEU 15 17.561 3.751 2.594 165 HA LEU 15 HA LEU 15 15.835 5.005 0.803 166 1HB LEU 15 HB2 LEU 15 18.435 6.125 1.843 167 2HB LEU 15 HB1 LEU 15 17.058 7.039 1.259 168 HG LEU 15 HG LEU 15 16.927 5.259 3.686 169 1HD1 LEU 15 1HD1 LEU 15 17.054 7.404 4.967 170 2HD1 LEU 15 2HD1 LEU 15 17.585 8.188 3.479 171 3HD1 LEU 15 3HD1 LEU 15 18.562 6.908 4.199 172 1HD2 LEU 15 1HD2 LEU 15 15.171 7.602 3.299 173 2HD2 LEU 15 2HD2 LEU 15 14.816 6.015 3.982 174 3HD2 LEU 15 3HD2 LEU 15 14.894 6.226 2.233 175 H GLN 16 HN GLN 16 19.292 4.278 0.478 176 HA GLN 16 HA GLN 16 19.417 5.344 -2.192 177 1HB GLN 16 HB2 GLN 16 21.373 3.783 -0.510 178 2HB GLN 16 HB1 GLN 16 21.725 4.300 -2.153 179 1HG GLN 16 HG2 GLN 16 20.800 6.356 -0.229 180 2HG GLN 16 HG1 GLN 16 22.433 5.721 -0.040 181 1HE2 GLN 16 1HE2 GLN 16 20.233 7.162 -2.396 182 2HE2 GLN 16 2HE2 GLN 16 21.457 7.964 -3.314 183 H GLU 17 HN GLU 17 18.457 2.377 -0.825 184 HA GLU 17 HA GLU 17 19.265 0.449 -2.605 185 1HB GLU 17 HB2 GLU 17 17.484 0.552 -0.525 186 2HB GLU 17 HB1 GLU 17 16.423 0.243 -1.892 187 1HG GLU 17 HG2 GLU 17 18.159 -1.611 -2.463 188 2HG GLU 17 HG1 GLU 17 18.602 -1.446 -0.763 189 H ARG 18 HN ARG 18 16.976 3.014 -3.107 190 HA ARG 18 HA ARG 18 15.627 1.976 -5.350 191 1HB ARG 18 HB2 ARG 18 14.868 4.239 -5.730 192 2HB ARG 18 HB1 ARG 18 14.832 3.891 -4.007 193 1HG ARG 18 HG2 ARG 18 16.353 5.463 -3.526 194 2HG ARG 18 HG1 ARG 18 17.324 5.111 -4.956 195 1HD ARG 18 HD2 ARG 18 16.118 6.546 -6.293 196 2HD ARG 18 HD1 ARG 18 14.674 6.439 -5.287 197 HE ARG 18 HE ARG 18 16.745 7.675 -3.834 198 1HH1 ARG 18 1HH1 ARG 18 14.580 8.298 -6.501 199 2HH1 ARG 18 2HH1 ARG 18 14.565 10.011 -6.251 200 1HH2 ARG 18 1HH2 ARG 18 16.726 9.928 -3.505 201 2HH2 ARG 18 2HH2 ARG 18 15.784 10.937 -4.551 202 H GLU 19 HN GLU 19 18.856 2.751 -5.084 203 HA GLU 19 HA GLU 19 19.681 4.191 -7.199 204 1HB GLU 19 HB2 GLU 19 20.790 2.092 -5.601 205 2HB GLU 19 HB1 GLU 19 21.292 1.857 -7.269 206 1HG GLU 19 HG2 GLU 19 21.715 4.519 -6.960 207 2HG GLU 19 HG1 GLU 19 22.058 3.918 -5.338 208 H LEU 20 HN LEU 20 18.794 0.738 -7.420 209 HA LEU 20 HA LEU 20 17.780 1.102 -10.073 210 1HB LEU 20 HB2 LEU 20 19.318 -0.288 -11.268 211 2HB LEU 20 HB1 LEU 20 20.219 0.998 -10.488 212 HG LEU 20 HG LEU 20 20.050 -1.448 -8.882 213 1HD1 LEU 20 1HD1 LEU 20 20.170 -2.629 -10.920 214 2HD1 LEU 20 2HD1 LEU 20 21.819 -2.569 -10.297 215 3HD1 LEU 20 3HD1 LEU 20 21.329 -1.489 -11.602 216 1HD2 LEU 20 1HD2 LEU 20 21.592 0.789 -8.920 217 2HD2 LEU 20 2HD2 LEU 20 22.643 -0.372 -9.730 218 3HD2 LEU 20 3HD2 LEU 20 22.028 -0.717 -8.113 219 H VAL 21 HN VAL 21 16.372 0.245 -7.999 220 HA VAL 21 HA VAL 21 16.253 -2.681 -8.242 221 HB VAL 21 HB VAL 21 14.768 -2.459 -6.159 222 1HG1 VAL 21 1HG1 VAL 21 16.786 -2.340 -4.671 223 2HG1 VAL 21 2HG1 VAL 21 17.730 -1.945 -6.108 224 3HG1 VAL 21 3HG1 VAL 21 16.898 -3.497 -5.998 225 1HG2 VAL 21 1HG2 VAL 21 14.383 -0.095 -6.166 226 2HG2 VAL 21 2HG2 VAL 21 16.115 0.233 -6.133 227 3HG2 VAL 21 3HG2 VAL 21 15.331 -0.500 -4.735 228 H GLU 22 HN GLU 22 14.246 0.247 -8.107 229 HA GLU 22 HA GLU 22 12.496 -0.618 -10.130 230 1HB GLU 22 HB2 GLU 22 11.815 -1.408 -7.380 231 2HB GLU 22 HB1 GLU 22 10.520 -0.578 -8.231 232 1HG GLU 22 HG2 GLU 22 11.225 -2.308 -10.133 233 2HG GLU 22 HG1 GLU 22 11.718 -3.233 -8.717 234 HA PRO 23 HA PRO 23 12.287 3.848 -8.737 235 1HB PRO 23 HB2 PRO 23 13.850 5.005 -10.566 236 2HB PRO 23 HB1 PRO 23 14.537 4.222 -9.138 237 1HG PRO 23 HG2 PRO 23 14.320 3.196 -11.941 238 2HG PRO 23 HG1 PRO 23 15.681 3.079 -10.810 239 1HD PRO 23 HD2 PRO 23 13.863 1.059 -11.269 240 2HD PRO 23 HD1 PRO 23 14.816 1.231 -9.781 241 H LEU 24 HN LEU 24 10.433 2.313 -10.327 242 HA LEU 24 HA LEU 24 9.741 4.286 -12.402 243 1HB LEU 24 HB2 LEU 24 8.790 1.432 -12.369 244 2HB LEU 24 HB1 LEU 24 8.711 2.581 -13.689 245 HG LEU 24 HG LEU 24 10.400 1.022 -14.253 246 1HD1 LEU 24 1HD1 LEU 24 11.515 3.618 -13.243 247 2HD1 LEU 24 2HD1 LEU 24 11.116 3.156 -14.897 248 3HD1 LEU 24 3HD1 LEU 24 12.512 2.439 -14.092 249 1HD2 LEU 24 1HD2 LEU 24 11.952 0.107 -12.845 250 2HD2 LEU 24 2HD2 LEU 24 10.642 0.414 -11.703 251 3HD2 LEU 24 3HD2 LEU 24 12.006 1.529 -11.801 252 H THR 25 HN THR 25 8.570 2.237 -9.802 253 HA THR 25 HA THR 25 5.845 2.744 -9.960 254 HB THR 25 HB THR 25 5.694 1.977 -7.719 255 HG1 THR 25 HG1 THR 25 7.558 1.951 -6.363 256 1HG2 THR 25 1HG2 THR 25 8.214 0.571 -8.179 257 2HG2 THR 25 2HG2 THR 25 7.083 0.517 -9.531 258 3HG2 THR 25 3HG2 THR 25 6.584 -0.056 -7.939 259 HA PRO 26 HA PRO 26 5.958 7.160 -9.086 260 1HB PRO 26 HB2 PRO 26 3.276 7.566 -9.276 261 2HB PRO 26 HB1 PRO 26 4.332 7.423 -10.686 262 1HG PRO 26 HG2 PRO 26 2.569 5.361 -9.420 263 2HG PRO 26 HG1 PRO 26 2.812 5.722 -11.139 264 1HD PRO 26 HD2 PRO 26 4.026 3.641 -9.913 265 2HD PRO 26 HD1 PRO 26 4.792 4.542 -11.238 266 H SER 27 HN SER 27 4.074 4.723 -7.439 267 HA SER 27 HA SER 27 3.864 6.497 -5.097 268 1HB SER 27 HB2 SER 27 1.694 5.708 -6.091 269 2HB SER 27 HB1 SER 27 2.165 4.060 -5.675 270 HG SER 27 HG SER 27 0.958 4.795 -3.988 271 H GLY 28 HN GLY 28 6.274 5.336 -5.434 272 1HA GLY 28 HA2 GLY 28 6.359 3.500 -3.169 273 2HA GLY 28 HA1 GLY 28 7.002 2.897 -4.688 274 H GLU 29 HN GLU 29 8.235 5.204 -5.652 275 HA GLU 29 HA GLU 29 10.732 5.087 -4.429 276 1HB GLU 29 HB2 GLU 29 9.528 7.224 -6.191 277 2HB GLU 29 HB1 GLU 29 11.223 7.184 -5.726 278 1HG GLU 29 HG2 GLU 29 11.709 5.462 -7.109 279 2HG GLU 29 HG1 GLU 29 10.115 4.729 -6.940 280 H ALA 30 HN ALA 30 7.975 7.109 -3.738 281 HA ALA 30 HA ALA 30 9.325 8.088 -1.347 282 1HB ALA 30 HB1 ALA 30 9.151 10.335 -1.778 283 2HB ALA 30 HB2 ALA 30 7.853 10.122 -2.954 284 3HB ALA 30 HB3 ALA 30 9.514 9.721 -3.390 285 HA PRO 31 HA PRO 31 5.362 7.396 0.460 286 1HB PRO 31 HB2 PRO 31 5.409 9.174 2.516 287 2HB PRO 31 HB1 PRO 31 6.352 7.678 2.514 288 1HG PRO 31 HG2 PRO 31 7.221 10.466 1.859 289 2HG PRO 31 HG1 PRO 31 8.055 9.230 2.818 290 1HD PRO 31 HD2 PRO 31 8.708 9.751 0.246 291 2HD PRO 31 HD1 PRO 31 8.839 8.127 0.951 292 H ASN 32 HN ASN 32 6.272 10.755 -0.159 293 HA ASN 32 HA ASN 32 3.954 12.118 0.170 294 1HB ASN 32 HB2 ASN 32 6.350 12.696 -0.973 295 2HB ASN 32 HB1 ASN 32 5.293 12.743 -2.381 296 1HD2 ASN 32 1HD2 ASN 32 2.965 13.664 -1.140 297 2HD2 ASN 32 2HD2 ASN 32 3.222 15.298 -0.640 298 H GLN 33 HN GLN 33 4.841 10.379 -2.817 299 HA GLN 33 HA GLN 33 2.501 10.910 -4.237 300 1HB GLN 33 HB2 GLN 33 4.110 8.371 -4.442 301 2HB GLN 33 HB1 GLN 33 3.089 9.094 -5.678 302 1HG GLN 33 HG2 GLN 33 5.242 10.821 -4.680 303 2HG GLN 33 HG1 GLN 33 5.772 9.379 -5.544 304 1HE2 GLN 33 1HE2 GLN 33 6.225 11.951 -6.481 305 2HE2 GLN 33 2HE2 GLN 33 5.312 12.189 -7.928 306 H ALA 34 HN ALA 34 3.075 8.705 -1.632 307 HA ALA 34 HA ALA 34 0.917 6.933 -2.075 308 1HB ALA 34 HB1 ALA 34 1.513 5.980 -0.106 309 2HB ALA 34 HB2 ALA 34 1.671 7.530 0.720 310 3HB ALA 34 HB3 ALA 34 2.967 6.954 -0.327 311 H LEU 35 HN LEU 35 1.286 9.773 0.019 312 HA LEU 35 HA LEU 35 -1.481 9.902 0.704 313 1HB LEU 35 HB2 LEU 35 0.247 12.318 0.845 314 2HB LEU 35 HB1 LEU 35 -0.952 11.737 1.983 315 HG LEU 35 HG LEU 35 1.073 9.804 2.023 316 1HD1 LEU 35 1HD1 LEU 35 3.059 10.762 1.747 317 2HD1 LEU 35 2HD1 LEU 35 2.602 12.163 2.716 318 3HD1 LEU 35 3HD1 LEU 35 2.206 12.112 0.998 319 1HD2 LEU 35 1HD2 LEU 35 1.466 10.690 4.299 320 2HD2 LEU 35 2HD2 LEU 35 -0.245 10.460 3.934 321 3HD2 LEU 35 3HD2 LEU 35 0.455 12.079 3.904 322 H LEU 36 HN LEU 36 0.530 11.106 -1.838 323 HA LEU 36 HA LEU 36 -1.032 13.219 -2.762 324 1HB LEU 36 HB2 LEU 36 1.351 12.099 -3.485 325 2HB LEU 36 HB1 LEU 36 0.339 11.717 -4.864 326 HG LEU 36 HG LEU 36 -0.279 14.289 -4.673 327 1HD1 LEU 36 1HD1 LEU 36 2.315 13.996 -3.214 328 2HD1 LEU 36 2HD1 LEU 36 0.912 14.986 -2.812 329 3HD1 LEU 36 3HD1 LEU 36 1.967 15.451 -4.147 330 1HD2 LEU 36 1HD2 LEU 36 1.994 14.585 -6.069 331 2HD2 LEU 36 2HD2 LEU 36 0.557 13.788 -6.712 332 3HD2 LEU 36 3HD2 LEU 36 1.880 12.825 -6.053 333 H ARG 37 HN ARG 37 -1.162 9.747 -3.701 334 HA ARG 37 HA ARG 37 -3.559 10.415 -5.252 335 1HB ARG 37 HB2 ARG 37 -1.571 9.172 -6.276 336 2HB ARG 37 HB1 ARG 37 -2.091 7.791 -5.320 337 1HG ARG 37 HG2 ARG 37 -4.417 8.434 -6.500 338 2HG ARG 37 HG1 ARG 37 -3.281 8.983 -7.734 339 1HD ARG 37 HD2 ARG 37 -2.220 6.575 -7.111 340 2HD ARG 37 HD1 ARG 37 -3.931 6.258 -6.828 341 HE ARG 37 HE ARG 37 -4.233 6.250 -9.083 342 1HH1 ARG 37 1HH1 ARG 37 -1.319 8.041 -8.384 343 2HH1 ARG 37 2HH1 ARG 37 -0.911 8.271 -10.051 344 1HH2 ARG 37 1HH2 ARG 37 -3.698 6.552 -11.276 345 2HH2 ARG 37 2HH2 ARG 37 -2.262 7.426 -11.693 346 H ILE 38 HN ILE 38 -2.662 8.839 -2.297 347 HA ILE 38 HA ILE 38 -4.888 7.033 -2.292 348 HB ILE 38 HB ILE 38 -2.884 6.648 -0.881 349 1HG1 ILE 38 2HG1 ILE 38 -4.558 6.514 1.318 350 2HG1 ILE 38 1HG1 ILE 38 -5.680 6.526 -0.038 351 1HG2 ILE 38 1HG2 ILE 38 -3.957 8.672 1.043 352 2HG2 ILE 38 2HG2 ILE 38 -2.811 9.137 -0.214 353 3HG2 ILE 38 3HG2 ILE 38 -2.360 7.924 0.983 354 1HD1 ILE 38 1HD1 ILE 38 -4.246 4.660 -1.014 355 2HD1 ILE 38 2HD1 ILE 38 -5.256 4.271 0.378 356 3HD1 ILE 38 3HD1 ILE 38 -3.525 4.542 0.592 357 H LEU 39 HN LEU 39 -4.288 10.168 -0.740 358 HA LEU 39 HA LEU 39 -6.803 10.346 0.526 359 1HB LEU 39 HB2 LEU 39 -4.586 11.764 0.775 360 2HB LEU 39 HB1 LEU 39 -5.384 12.802 -0.391 361 HG LEU 39 HG LEU 39 -5.713 13.516 1.963 362 1HD1 LEU 39 1HD1 LEU 39 -7.781 14.316 1.525 363 2HD1 LEU 39 2HD1 LEU 39 -8.423 12.732 1.089 364 3HD1 LEU 39 3HD1 LEU 39 -7.449 13.639 -0.070 365 1HD2 LEU 39 1HD2 LEU 39 -5.821 11.112 2.801 366 2HD2 LEU 39 2HD2 LEU 39 -7.503 11.125 2.268 367 3HD2 LEU 39 3HD2 LEU 39 -6.960 12.261 3.502 368 H LYS 40 HN LYS 40 -5.811 10.805 -2.735 369 HA LYS 40 HA LYS 40 -8.245 12.284 -3.397 370 1HB LYS 40 HB2 LYS 40 -5.676 11.732 -4.841 371 2HB LYS 40 HB1 LYS 40 -7.096 12.278 -5.721 372 1HG LYS 40 HG2 LYS 40 -5.600 14.118 -5.138 373 2HG LYS 40 HG1 LYS 40 -7.190 14.292 -4.399 374 1HD LYS 40 HD2 LYS 40 -6.136 14.586 -2.451 375 2HD LYS 40 HD1 LYS 40 -5.702 12.880 -2.518 376 1HE LYS 40 HE2 LYS 40 -3.574 13.472 -2.588 377 2HE LYS 40 HE1 LYS 40 -3.871 14.191 -4.171 378 1HZ LYS 40 HZ1 LYS 40 -3.858 16.263 -3.327 379 2HZ LYS 40 HZ2 LYS 40 -2.965 15.557 -2.076 380 3HZ LYS 40 HZ3 LYS 40 -4.627 15.816 -1.886 381 H GLU 41 HN GLU 41 -6.616 9.239 -4.110 382 HA GLU 41 HA GLU 41 -8.847 8.411 -5.807 383 1HB GLU 41 HB2 GLU 41 -7.491 6.644 -6.552 384 2HB GLU 41 HB1 GLU 41 -6.374 7.988 -6.338 385 1HG GLU 41 HG2 GLU 41 -5.130 6.558 -5.193 386 2HG GLU 41 HG1 GLU 41 -6.297 6.782 -3.892 387 H THR 42 HN THR 42 -8.282 8.490 -2.617 388 HA THR 42 HA THR 42 -10.139 6.286 -2.144 389 HB THR 42 HB THR 42 -7.560 6.772 -0.649 390 HG1 THR 42 HG1 THR 42 -7.577 5.488 -2.631 391 1HG2 THR 42 1HG2 THR 42 -9.991 5.370 0.193 392 2HG2 THR 42 2HG2 THR 42 -8.675 6.044 1.151 393 3HG2 THR 42 3HG2 THR 42 -8.487 4.469 0.382 394 H GLU 43 HN GLU 43 -9.794 9.435 -2.096 395 HA GLU 43 HA GLU 43 -10.161 10.541 0.347 396 1HB GLU 43 HB2 GLU 43 -11.883 12.082 -0.848 397 2HB GLU 43 HB1 GLU 43 -10.213 12.091 -1.379 398 1HG GLU 43 HG2 GLU 43 -11.117 10.247 -3.050 399 2HG GLU 43 HG1 GLU 43 -12.637 11.082 -2.745 400 H PHE 44 HN PHE 44 -12.931 9.472 -1.659 401 HA PHE 44 HA PHE 44 -14.574 9.392 0.729 402 1HB PHE 44 HB2 PHE 44 -15.129 9.252 -2.216 403 2HB PHE 44 HB1 PHE 44 -16.355 8.760 -1.052 404 HD1 PHE 44 HD1 PHE 44 -17.968 10.355 -0.789 405 HD2 PHE 44 HD2 PHE 44 -13.922 11.584 -1.249 406 HE1 PHE 44 HE1 PHE 44 -18.655 12.702 -0.518 407 HE2 PHE 44 HE2 PHE 44 -14.600 13.934 -0.979 408 HZ PHE 44 HZ PHE 44 -16.969 14.496 -0.611 409 H LYS 45 HN LYS 45 -12.943 7.212 -1.447 410 HA LYS 45 HA LYS 45 -14.429 4.904 -1.159 411 1HB LYS 45 HB2 LYS 45 -11.415 4.954 -1.142 412 2HB LYS 45 HB1 LYS 45 -12.466 3.687 -1.757 413 1HG LYS 45 HG2 LYS 45 -12.027 6.422 -2.932 414 2HG LYS 45 HG1 LYS 45 -11.541 4.869 -3.610 415 1HD LYS 45 HD2 LYS 45 -13.753 4.269 -4.111 416 2HD LYS 45 HD1 LYS 45 -14.421 5.512 -3.052 417 1HE LYS 45 HE2 LYS 45 -13.031 7.065 -4.740 418 2HE LYS 45 HE1 LYS 45 -13.396 5.716 -5.817 419 1HZ LYS 45 HZ1 LYS 45 -15.782 6.036 -4.895 420 2HZ LYS 45 HZ2 LYS 45 -15.211 7.069 -6.107 421 3HZ LYS 45 HZ3 LYS 45 -15.239 7.588 -4.498 422 H LYS 46 HN LYS 46 -11.662 5.854 0.880 423 HA LYS 46 HA LYS 46 -11.942 3.724 2.687 424 1HB LYS 46 HB2 LYS 46 -10.409 4.978 4.139 425 2HB LYS 46 HB1 LYS 46 -9.851 4.913 2.474 426 1HG LYS 46 HG2 LYS 46 -9.812 7.125 2.319 427 2HG LYS 46 HG1 LYS 46 -11.456 7.264 2.938 428 1HD LYS 46 HD2 LYS 46 -10.745 7.834 4.982 429 2HD LYS 46 HD1 LYS 46 -9.534 6.551 5.005 430 1HE LYS 46 HE2 LYS 46 -9.100 8.999 3.343 431 2HE LYS 46 HE1 LYS 46 -8.783 9.041 5.077 432 1HZ LYS 46 HZ1 LYS 46 -6.974 8.314 3.281 433 2HZ LYS 46 HZ2 LYS 46 -7.644 6.798 3.620 434 3HZ LYS 46 HZ3 LYS 46 -6.982 7.727 4.868 435 H ILE 47 HN ILE 47 -13.323 6.996 2.779 436 HA ILE 47 HA ILE 47 -14.257 6.669 5.466 437 HB ILE 47 HB ILE 47 -15.514 8.763 5.116 438 1HG1 ILE 47 2HG1 ILE 47 -14.596 9.901 2.845 439 2HG1 ILE 47 1HG1 ILE 47 -14.745 8.234 2.307 440 1HG2 ILE 47 1HG2 ILE 47 -12.609 8.459 4.705 441 2HG2 ILE 47 2HG2 ILE 47 -13.499 9.315 5.964 442 3HG2 ILE 47 3HG2 ILE 47 -13.289 10.053 4.376 443 1HD1 ILE 47 1HD1 ILE 47 -17.122 8.553 3.521 444 2HD1 ILE 47 2HD1 ILE 47 -16.836 8.878 1.812 445 3HD1 ILE 47 3HD1 ILE 47 -16.818 10.201 2.976 446 H LYS 48 HN LYS 48 -15.977 6.789 2.322 447 HA LYS 48 HA LYS 48 -18.547 6.413 3.147 448 1HB LYS 48 HB2 LYS 48 -17.098 5.255 0.773 449 2HB LYS 48 HB1 LYS 48 -18.825 5.021 1.014 450 1HG LYS 48 HG2 LYS 48 -18.913 7.594 1.198 451 2HG LYS 48 HG1 LYS 48 -17.327 7.539 0.429 452 1HD LYS 48 HD2 LYS 48 -18.759 7.738 -1.383 453 2HD LYS 48 HD1 LYS 48 -18.490 5.997 -1.298 454 1HE LYS 48 HE2 LYS 48 -20.668 5.646 -1.048 455 2HE LYS 48 HE1 LYS 48 -20.692 6.672 0.385 456 1HZ LYS 48 HZ1 LYS 48 -21.235 7.408 -2.420 457 2HZ LYS 48 HZ2 LYS 48 -20.774 8.584 -1.295 458 3HZ LYS 48 HZ3 LYS 48 -22.184 7.684 -1.046 459 H VAL 49 HN VAL 49 -16.016 4.012 2.938 460 HA VAL 49 HA VAL 49 -17.597 1.738 3.496 461 HB VAL 49 HB VAL 49 -14.652 2.090 4.047 462 1HG1 VAL 49 1HG1 VAL 49 -14.947 -0.485 3.347 463 2HG1 VAL 49 2HG1 VAL 49 -16.513 -0.201 4.109 464 3HG1 VAL 49 3HG1 VAL 49 -15.027 0.082 5.015 465 1HG2 VAL 49 1HG2 VAL 49 -14.174 1.815 1.864 466 2HG2 VAL 49 2HG2 VAL 49 -15.806 2.436 1.622 467 3HG2 VAL 49 3HG2 VAL 49 -15.512 0.697 1.605 468 H LEU 50 HN LEU 50 -15.923 4.054 5.544 469 HA LEU 50 HA LEU 50 -15.972 2.653 7.961 470 1HB LEU 50 HB2 LEU 50 -16.379 5.625 7.636 471 2HB LEU 50 HB1 LEU 50 -15.785 4.795 9.063 472 HG LEU 50 HG LEU 50 -14.345 4.853 6.419 473 1HD1 LEU 50 1HD1 LEU 50 -14.619 7.079 7.647 474 2HD1 LEU 50 2HD1 LEU 50 -12.982 6.576 7.227 475 3HD1 LEU 50 3HD1 LEU 50 -13.567 6.384 8.880 476 1HD2 LEU 50 1HD2 LEU 50 -12.486 3.939 7.621 477 2HD2 LEU 50 2HD2 LEU 50 -13.893 2.918 7.919 478 3HD2 LEU 50 3HD2 LEU 50 -13.355 4.059 9.151 479 H GLY 51 HN GLY 51 -18.477 4.331 6.228 480 1HA GLY 51 HA2 GLY 51 -20.351 3.960 8.456 481 2HA GLY 51 HA1 GLY 51 -20.640 4.935 7.019 482 H SER 52 HN SER 52 -19.203 1.856 6.591 483 HA SER 52 HA SER 52 -21.228 0.935 4.877 484 1HB SER 52 HB2 SER 52 -18.846 -0.367 6.170 485 2HB SER 52 HB1 SER 52 -19.983 -1.318 5.214 486 HG SER 52 HG SER 52 -19.547 0.030 3.451 487 H GLY 53 HN GLY 53 -20.226 -0.395 8.043 488 1HA GLY 53 HA2 GLY 53 -21.766 -0.890 9.799 489 2HA GLY 53 HA1 GLY 53 -23.051 -0.987 8.605 Start of MODEL 9 1 1H ARG 1 HT1 ARG 1 -8.957 30.014 1.173 2 2H ARG 1 HT2 ARG 1 -7.265 29.760 1.032 3 3H ARG 1 HT3 ARG 1 -7.877 31.336 1.323 4 HA ARG 1 HA ARG 1 -6.889 30.125 3.247 5 1HB ARG 1 HB2 ARG 1 -9.594 31.413 3.108 6 2HB ARG 1 HB1 ARG 1 -8.986 30.833 4.653 7 1HG ARG 1 HG2 ARG 1 -7.499 32.762 2.887 8 2HG ARG 1 HG1 ARG 1 -8.568 33.247 4.205 9 1HD ARG 1 HD2 ARG 1 -6.084 31.552 4.446 10 2HD ARG 1 HD1 ARG 1 -6.248 33.238 4.937 11 HE ARG 1 HE ARG 1 -8.190 32.001 6.350 12 1HH1 ARG 1 1HH1 ARG 1 -4.779 31.381 5.949 13 2HH1 ARG 1 2HH1 ARG 1 -4.591 30.691 7.525 14 1HH2 ARG 1 1HH2 ARG 1 -7.944 31.093 8.425 15 2HH2 ARG 1 2HH2 ARG 1 -6.387 30.527 8.932 16 H ARG 2 HN ARG 2 -7.957 27.974 1.548 17 HA ARG 2 HA ARG 2 -8.738 26.181 3.681 18 1HB ARG 2 HB2 ARG 2 -10.893 27.110 2.870 19 2HB ARG 2 HB1 ARG 2 -10.517 26.513 1.259 20 1HG ARG 2 HG2 ARG 2 -10.562 24.631 3.577 21 2HG ARG 2 HG1 ARG 2 -12.069 25.142 2.814 22 1HD ARG 2 HD2 ARG 2 -10.872 24.475 0.607 23 2HD ARG 2 HD1 ARG 2 -9.805 23.556 1.667 24 HE ARG 2 HE ARG 2 -11.496 22.049 2.014 25 1HH1 ARG 2 1HH1 ARG 2 -12.818 24.923 0.543 26 2HH1 ARG 2 2HH1 ARG 2 -14.377 24.220 0.274 27 1HH2 ARG 2 1HH2 ARG 2 -13.545 21.122 1.664 28 2HH2 ARG 2 2HH2 ARG 2 -14.791 22.061 0.911 29 H ARG 3 HN ARG 3 -8.921 26.140 0.120 30 HA ARG 3 HA ARG 3 -7.725 23.553 -0.032 31 1HB ARG 3 HB2 ARG 3 -9.361 24.814 -1.678 32 2HB ARG 3 HB1 ARG 3 -7.857 25.366 -2.400 33 1HG ARG 3 HG2 ARG 3 -8.364 22.458 -1.899 34 2HG ARG 3 HG1 ARG 3 -8.962 23.264 -3.350 35 1HD ARG 3 HD2 ARG 3 -6.249 24.003 -3.022 36 2HD ARG 3 HD1 ARG 3 -6.349 22.257 -2.803 37 HE ARG 3 HE ARG 3 -6.922 22.029 -5.022 38 1HH1 ARG 3 1HH1 ARG 3 -6.999 25.408 -4.141 39 2HH1 ARG 3 2HH1 ARG 3 -7.151 25.957 -5.774 40 1HH2 ARG 3 1HH2 ARG 3 -7.116 22.755 -7.170 41 2HH2 ARG 3 2HH2 ARG 3 -7.217 24.454 -7.493 42 H HIS 4 HN HIS 4 -6.503 26.754 0.084 43 HA HIS 4 HA HIS 4 -4.405 27.605 0.044 44 1HB HIS 4 HB2 HIS 4 -3.957 24.735 0.643 45 2HB HIS 4 HB1 HIS 4 -2.554 25.658 0.116 46 HD1 HIS 4 HD1 HIS 4 -1.434 25.556 2.425 47 HD2 HIS 4 HD2 HIS 4 -5.187 27.340 2.459 48 HE1 HIS 4 HE1 HIS 4 -1.638 26.649 4.681 49 HE2 HIS 4 HE2 HIS 4 -3.950 27.650 4.710 50 H ILE 5 HN ILE 5 -5.043 28.169 -2.202 51 HA ILE 5 HA ILE 5 -4.296 26.674 -4.444 52 HB ILE 5 HB ILE 5 -5.786 28.629 -4.560 53 1HG1 ILE 5 2HG1 ILE 5 -4.642 29.719 -6.592 54 2HG1 ILE 5 1HG1 ILE 5 -3.317 28.601 -6.287 55 1HG2 ILE 5 1HG2 ILE 5 -3.360 30.386 -4.379 56 2HG2 ILE 5 2HG2 ILE 5 -4.334 29.986 -2.964 57 3HG2 ILE 5 3HG2 ILE 5 -5.061 30.845 -4.322 58 1HD1 ILE 5 1HD1 ILE 5 -4.886 26.723 -6.530 59 2HD1 ILE 5 2HD1 ILE 5 -4.777 27.716 -7.983 60 3HD1 ILE 5 3HD1 ILE 5 -6.169 27.872 -6.911 61 H VAL 6 HN VAL 6 -2.503 29.088 -2.578 62 HA VAL 6 HA VAL 6 -0.028 28.099 -3.808 63 HB VAL 6 HB VAL 6 -0.545 30.196 -4.935 64 1HG1 VAL 6 1HG1 VAL 6 -0.255 31.771 -2.433 65 2HG1 VAL 6 2HG1 VAL 6 -1.810 31.009 -2.765 66 3HG1 VAL 6 3HG1 VAL 6 -1.126 32.154 -3.918 67 1HG2 VAL 6 1HG2 VAL 6 1.837 29.533 -3.829 68 2HG2 VAL 6 2HG2 VAL 6 1.598 31.148 -3.162 69 3HG2 VAL 6 3HG2 VAL 6 1.590 30.906 -4.909 70 H ARG 7 HN ARG 7 0.362 26.907 -1.919 71 HA ARG 7 HA ARG 7 1.808 28.267 0.092 72 1HB ARG 7 HB2 ARG 7 -1.027 27.959 0.546 73 2HB ARG 7 HB1 ARG 7 -0.117 27.054 1.747 74 1HG ARG 7 HG2 ARG 7 0.521 29.915 1.119 75 2HG ARG 7 HG1 ARG 7 -0.730 29.470 2.282 76 1HD ARG 7 HD2 ARG 7 1.648 27.959 2.800 77 2HD ARG 7 HD1 ARG 7 2.047 29.673 2.710 78 HE ARG 7 HE ARG 7 -0.255 29.148 4.331 79 1HH1 ARG 7 1HH1 ARG 7 3.234 29.226 4.307 80 2HH1 ARG 7 2HH1 ARG 7 3.365 29.491 6.013 81 1HH2 ARG 7 1HH2 ARG 7 -0.085 29.497 6.575 82 2HH2 ARG 7 2HH2 ARG 7 1.481 29.644 7.301 83 H LYS 8 HN LYS 8 -0.061 25.348 -0.661 84 HA LYS 8 HA LYS 8 1.322 23.569 0.975 85 1HB LYS 8 HB2 LYS 8 0.709 21.929 -1.079 86 2HB LYS 8 HB1 LYS 8 -0.441 22.423 0.151 87 1HG LYS 8 HG2 LYS 8 -1.582 23.804 -1.273 88 2HG LYS 8 HG1 LYS 8 -0.180 24.087 -2.307 89 1HD LYS 8 HD2 LYS 8 -0.520 21.429 -2.650 90 2HD LYS 8 HD1 LYS 8 -2.189 21.936 -2.378 91 1HE LYS 8 HE2 LYS 8 -2.294 23.096 -4.319 92 2HE LYS 8 HE1 LYS 8 -0.607 23.601 -4.233 93 1HZ LYS 8 HZ1 LYS 8 -1.086 20.769 -4.696 94 2HZ LYS 8 HZ2 LYS 8 0.086 21.791 -5.360 95 3HZ LYS 8 HZ3 LYS 8 -1.493 21.809 -5.967 96 H ARG 9 HN ARG 9 1.904 24.163 -2.510 97 HA ARG 9 HA ARG 9 4.214 22.603 -2.674 98 1HB ARG 9 HB2 ARG 9 4.712 23.947 -4.724 99 2HB ARG 9 HB1 ARG 9 3.095 23.257 -4.684 100 1HG ARG 9 HG2 ARG 9 2.269 25.270 -5.074 101 2HG ARG 9 HG1 ARG 9 2.883 25.795 -3.505 102 1HD ARG 9 HD2 ARG 9 4.339 27.138 -4.507 103 2HD ARG 9 HD1 ARG 9 5.047 25.765 -5.354 104 HE ARG 9 HE ARG 9 2.632 26.751 -6.559 105 1HH1 ARG 9 1HH1 ARG 9 6.100 27.105 -6.392 106 2HH1 ARG 9 2HH1 ARG 9 6.226 27.831 -7.959 107 1HH2 ARG 9 1HH2 ARG 9 2.796 27.705 -8.620 108 2HH2 ARG 9 2HH2 ARG 9 4.350 28.172 -9.224 109 H THR 10 HN THR 10 3.727 25.683 -1.265 110 HA THR 10 HA THR 10 6.429 26.585 -1.503 111 HB THR 10 HB THR 10 4.144 27.489 0.243 112 HG1 THR 10 HG1 THR 10 5.291 28.432 -2.159 113 1HG2 THR 10 1HG2 THR 10 6.937 28.166 0.406 114 2HG2 THR 10 2HG2 THR 10 5.600 28.617 1.465 115 3HG2 THR 10 3HG2 THR 10 5.945 29.575 0.024 116 H LEU 11 HN LEU 11 4.726 24.463 0.623 117 HA LEU 11 HA LEU 11 6.130 24.676 2.992 118 1HB LEU 11 HB2 LEU 11 4.800 22.420 1.574 119 2HB LEU 11 HB1 LEU 11 5.833 22.031 2.934 120 HG LEU 11 HG LEU 11 4.482 23.424 4.405 121 1HD1 LEU 11 1HD1 LEU 11 2.272 24.262 3.450 122 2HD1 LEU 11 2HD1 LEU 11 3.024 24.079 1.866 123 3HD1 LEU 11 3HD1 LEU 11 3.725 25.179 3.052 124 1HD2 LEU 11 1HD2 LEU 11 2.385 21.865 3.026 125 2HD2 LEU 11 2HD2 LEU 11 2.882 21.856 4.718 126 3HD2 LEU 11 3HD2 LEU 11 3.832 20.983 3.515 127 H ARG 12 HN ARG 12 7.237 23.643 -0.091 128 HA ARG 12 HA ARG 12 9.430 22.059 0.707 129 1HB ARG 12 HB2 ARG 12 8.358 23.183 -1.746 130 2HB ARG 12 HB1 ARG 12 10.117 23.244 -1.722 131 1HG ARG 12 HG2 ARG 12 10.029 20.781 -1.072 132 2HG ARG 12 HG1 ARG 12 8.330 20.841 -1.546 133 1HD ARG 12 HD2 ARG 12 10.182 22.013 -3.496 134 2HD ARG 12 HD1 ARG 12 10.407 20.286 -3.223 135 HE ARG 12 HE ARG 12 7.740 20.495 -3.575 136 1HH1 ARG 12 1HH1 ARG 12 10.469 21.633 -5.429 137 2HH1 ARG 12 2HH1 ARG 12 9.638 21.539 -6.945 138 1HH2 ARG 12 1HH2 ARG 12 6.645 20.368 -5.569 139 2HH2 ARG 12 2HH2 ARG 12 7.467 20.820 -7.024 140 H ARG 13 HN ARG 13 8.858 25.418 0.859 141 HA ARG 13 HA ARG 13 11.471 26.408 0.511 142 1HB ARG 13 HB2 ARG 13 8.937 27.410 1.680 143 2HB ARG 13 HB1 ARG 13 10.412 28.214 2.202 144 1HG ARG 13 HG2 ARG 13 9.859 27.794 -0.706 145 2HG ARG 13 HG1 ARG 13 9.125 29.138 0.171 146 1HD ARG 13 HD2 ARG 13 12.000 28.819 0.633 147 2HD ARG 13 HD1 ARG 13 11.574 29.192 -1.036 148 HE ARG 13 HE ARG 13 10.208 30.915 0.748 149 1HH1 ARG 13 1HH1 ARG 13 13.363 30.336 -0.628 150 2HH1 ARG 13 2HH1 ARG 13 13.864 31.987 -0.489 151 1HH2 ARG 13 1HH2 ARG 13 10.865 33.088 0.931 152 2HH2 ARG 13 2HH2 ARG 13 12.447 33.549 0.398 153 H LEU 14 HN LEU 14 9.693 25.449 3.440 154 HA LEU 14 HA LEU 14 11.772 26.045 5.251 155 1HB LEU 14 HB2 LEU 14 9.282 24.408 5.348 156 2HB LEU 14 HB1 LEU 14 10.462 24.206 6.629 157 HG LEU 14 HG LEU 14 10.315 26.810 6.810 158 1HD1 LEU 14 1HD1 LEU 14 8.747 26.684 4.695 159 2HD1 LEU 14 2HD1 LEU 14 8.480 27.872 5.970 160 3HD1 LEU 14 3HD1 LEU 14 7.510 26.400 5.920 161 1HD2 LEU 14 1HD2 LEU 14 7.831 25.575 7.813 162 2HD2 LEU 14 2HD2 LEU 14 9.083 26.473 8.672 163 3HD2 LEU 14 3HD2 LEU 14 9.336 24.776 8.267 164 H LEU 15 HN LEU 15 10.863 23.038 3.603 165 HA LEU 15 HA LEU 15 12.860 21.451 4.856 166 1HB LEU 15 HB2 LEU 15 11.557 20.898 2.198 167 2HB LEU 15 HB1 LEU 15 12.244 19.737 3.318 168 HG LEU 15 HG LEU 15 9.970 21.393 4.284 169 1HD1 LEU 15 1HD1 LEU 15 9.652 20.302 1.850 170 2HD1 LEU 15 2HD1 LEU 15 8.352 20.447 3.033 171 3HD1 LEU 15 3HD1 LEU 15 9.223 18.922 2.862 172 1HD2 LEU 15 1HD2 LEU 15 10.677 18.480 4.617 173 2HD2 LEU 15 2HD2 LEU 15 9.440 19.375 5.501 174 3HD2 LEU 15 3HD2 LEU 15 11.145 19.770 5.726 175 H GLN 16 HN GLN 16 12.612 22.500 1.450 176 HA GLN 16 HA GLN 16 15.035 21.758 0.500 177 1HB GLN 16 HB2 GLN 16 13.476 24.272 -0.058 178 2HB GLN 16 HB1 GLN 16 14.929 23.848 -0.952 179 1HG GLN 16 HG2 GLN 16 13.340 21.557 -1.013 180 2HG GLN 16 HG1 GLN 16 12.232 22.903 -1.278 181 1HE2 GLN 16 1HE2 GLN 16 12.816 20.965 -3.204 182 2HE2 GLN 16 2HE2 GLN 16 13.641 21.726 -4.517 183 H GLU 17 HN GLU 17 14.405 24.619 2.485 184 HA GLU 17 HA GLU 17 16.780 25.976 2.259 185 1HB GLU 17 HB2 GLU 17 14.750 25.676 4.392 186 2HB GLU 17 HB1 GLU 17 16.312 26.300 4.904 187 1HG GLU 17 HG2 GLU 17 15.237 27.559 2.490 188 2HG GLU 17 HG1 GLU 17 14.268 27.802 3.942 189 H ARG 18 HN ARG 18 16.093 23.141 4.250 190 HA ARG 18 HA ARG 18 18.486 23.029 5.674 191 1HB ARG 18 HB2 ARG 18 17.793 20.955 6.386 192 2HB ARG 18 HB1 ARG 18 16.268 21.627 5.832 193 1HG ARG 18 HG2 ARG 18 16.555 20.431 3.691 194 2HG ARG 18 HG1 ARG 18 18.029 19.700 4.330 195 1HD ARG 18 HD2 ARG 18 16.019 19.283 6.259 196 2HD ARG 18 HD1 ARG 18 15.303 18.897 4.695 197 HE ARG 18 HE ARG 18 16.681 17.070 4.543 198 1HH1 ARG 18 1HH1 ARG 18 17.791 19.127 7.136 199 2HH1 ARG 18 2HH1 ARG 18 18.934 17.970 7.731 200 1HH2 ARG 18 1HH2 ARG 18 18.182 15.547 5.328 201 2HH2 ARG 18 2HH2 ARG 18 19.156 15.939 6.705 202 H GLU 19 HN GLU 19 17.666 21.840 2.463 203 HA GLU 19 HA GLU 19 20.439 21.781 1.715 204 1HB GLU 19 HB2 GLU 19 19.184 19.369 2.628 205 2HB GLU 19 HB1 GLU 19 19.550 19.216 0.916 206 1HG GLU 19 HG2 GLU 19 21.859 19.656 1.294 207 2HG GLU 19 HG1 GLU 19 21.555 20.087 2.977 208 H LEU 20 HN LEU 20 17.479 20.143 0.604 209 HA LEU 20 HA LEU 20 16.842 21.930 -1.441 210 1HB LEU 20 HB2 LEU 20 18.940 19.965 -2.086 211 2HB LEU 20 HB1 LEU 20 17.626 20.043 -3.244 212 HG LEU 20 HG LEU 20 18.564 22.697 -2.551 213 1HD1 LEU 20 1HD1 LEU 20 20.698 22.114 -4.080 214 2HD1 LEU 20 2HD1 LEU 20 20.577 20.627 -3.141 215 3HD1 LEU 20 3HD1 LEU 20 20.746 22.178 -2.319 216 1HD2 LEU 20 1HD2 LEU 20 18.930 21.592 -5.259 217 2HD2 LEU 20 2HD2 LEU 20 18.149 23.083 -4.734 218 3HD2 LEU 20 3HD2 LEU 20 17.286 21.549 -4.622 219 H VAL 21 HN VAL 21 16.940 18.573 -0.402 220 HA VAL 21 HA VAL 21 15.244 17.081 -0.083 221 HB VAL 21 HB VAL 21 13.829 19.418 -0.090 222 1HG1 VAL 21 1HG1 VAL 21 12.284 17.728 -2.015 223 2HG1 VAL 21 2HG1 VAL 21 13.425 18.935 -2.604 224 3HG1 VAL 21 3HG1 VAL 21 12.067 19.426 -1.593 225 1HG2 VAL 21 1HG2 VAL 21 11.974 18.096 0.758 226 2HG2 VAL 21 2HG2 VAL 21 13.510 17.496 1.384 227 3HG2 VAL 21 3HG2 VAL 21 12.691 16.634 0.082 228 H GLU 22 HN GLU 22 16.596 18.015 -2.846 229 HA GLU 22 HA GLU 22 14.977 16.311 -4.588 230 1HB GLU 22 HB2 GLU 22 16.645 18.658 -4.997 231 2HB GLU 22 HB1 GLU 22 17.046 17.366 -6.119 232 1HG GLU 22 HG2 GLU 22 14.491 17.249 -6.513 233 2HG GLU 22 HG1 GLU 22 14.481 18.860 -5.796 234 HA PRO 23 HA PRO 23 19.408 14.397 -4.985 235 1HB PRO 23 HB2 PRO 23 20.878 15.441 -2.665 236 2HB PRO 23 HB1 PRO 23 21.362 15.375 -4.360 237 1HG PRO 23 HG2 PRO 23 20.755 17.696 -3.144 238 2HG PRO 23 HG1 PRO 23 20.390 17.406 -4.855 239 1HD PRO 23 HD2 PRO 23 18.566 17.282 -2.480 240 2HD PRO 23 HD1 PRO 23 18.275 17.978 -4.089 241 H LEU 24 HN LEU 24 17.344 13.249 -3.841 242 HA LEU 24 HA LEU 24 18.355 11.202 -2.268 243 1HB LEU 24 HB2 LEU 24 18.623 12.787 -0.474 244 2HB LEU 24 HB1 LEU 24 16.982 13.367 -0.678 245 HG LEU 24 HG LEU 24 16.794 10.591 -0.175 246 1HD1 LEU 24 1HD1 LEU 24 17.960 10.254 1.860 247 2HD1 LEU 24 2HD1 LEU 24 18.479 11.938 1.921 248 3HD1 LEU 24 3HD1 LEU 24 19.137 10.857 0.693 249 1HD2 LEU 24 1HD2 LEU 24 15.285 11.259 1.389 250 2HD2 LEU 24 2HD2 LEU 24 15.419 12.768 0.487 251 3HD2 LEU 24 3HD2 LEU 24 16.315 12.557 1.991 252 H THR 25 HN THR 25 15.552 13.207 -2.978 253 HA THR 25 HA THR 25 13.699 11.017 -2.599 254 HB THR 25 HB THR 25 11.978 12.583 -3.025 255 HG1 THR 25 HG1 THR 25 12.283 13.835 -4.669 256 1HG2 THR 25 1HG2 THR 25 14.217 14.135 -1.749 257 2HG2 THR 25 2HG2 THR 25 13.073 13.077 -0.921 258 3HG2 THR 25 3HG2 THR 25 12.506 14.558 -1.694 259 HA PRO 26 HA PRO 26 13.674 9.512 -6.739 260 1HB PRO 26 HB2 PRO 26 11.106 8.714 -7.033 261 2HB PRO 26 HB1 PRO 26 12.255 7.862 -5.995 262 1HG PRO 26 HG2 PRO 26 10.136 9.839 -5.250 263 2HG PRO 26 HG1 PRO 26 10.582 8.321 -4.450 264 1HD PRO 26 HD2 PRO 26 11.404 10.755 -3.565 265 2HD PRO 26 HD1 PRO 26 12.362 9.278 -3.352 266 H SER 27 HN SER 27 11.384 11.997 -5.852 267 HA SER 27 HA SER 27 11.679 13.257 -8.418 268 1HB SER 27 HB2 SER 27 9.172 13.354 -8.803 269 2HB SER 27 HB1 SER 27 9.922 11.784 -9.082 270 HG SER 27 HG SER 27 7.967 12.426 -7.372 271 H GLY 28 HN GLY 28 9.478 13.215 -5.605 272 1HA GLY 28 HA2 GLY 28 10.119 16.074 -5.219 273 2HA GLY 28 HA1 GLY 28 8.466 15.487 -5.114 274 H GLU 29 HN GLU 29 9.455 12.977 -3.798 275 HA GLU 29 HA GLU 29 10.789 13.530 -1.414 276 1HB GLU 29 HB2 GLU 29 7.946 14.266 -1.447 277 2HB GLU 29 HB1 GLU 29 8.394 13.213 -0.114 278 1HG GLU 29 HG2 GLU 29 10.288 15.374 -0.487 279 2HG GLU 29 HG1 GLU 29 8.648 15.954 -0.200 280 H ALA 30 HN ALA 30 8.127 11.738 -2.873 281 HA ALA 30 HA ALA 30 8.403 9.406 -3.379 282 1HB ALA 30 HB1 ALA 30 10.481 9.175 -2.076 283 2HB ALA 30 HB2 ALA 30 9.349 7.849 -1.815 284 3HB ALA 30 HB3 ALA 30 9.525 9.110 -0.600 285 HA PRO 31 HA PRO 31 5.193 8.457 0.017 286 1HB PRO 31 HB2 PRO 31 4.959 10.017 2.191 287 2HB PRO 31 HB1 PRO 31 6.160 8.721 2.106 288 1HG PRO 31 HG2 PRO 31 6.515 11.663 1.677 289 2HG PRO 31 HG1 PRO 31 7.540 10.532 2.580 290 1HD PRO 31 HD2 PRO 31 8.082 11.354 0.038 291 2HD PRO 31 HD1 PRO 31 8.599 9.790 0.690 292 H ASN 32 HN ASN 32 5.849 11.855 -0.520 293 HA ASN 32 HA ASN 32 3.501 13.138 -0.191 294 1HB ASN 32 HB2 ASN 32 5.182 14.519 -0.949 295 2HB ASN 32 HB1 ASN 32 5.686 13.396 -2.206 296 1HD2 ASN 32 1HD2 ASN 32 4.875 13.591 -4.212 297 2HD2 ASN 32 2HD2 ASN 32 3.760 14.819 -4.698 298 H GLN 33 HN GLN 33 4.352 11.163 -3.021 299 HA GLN 33 HA GLN 33 1.806 11.577 -4.275 300 1HB GLN 33 HB2 GLN 33 2.581 9.798 -5.846 301 2HB GLN 33 HB1 GLN 33 3.651 11.187 -5.717 302 1HG GLN 33 HG2 GLN 33 5.203 9.977 -4.389 303 2HG GLN 33 HG1 GLN 33 4.077 8.636 -4.187 304 1HE2 GLN 33 1HE2 GLN 33 6.299 10.220 -6.329 305 2HE2 GLN 33 2HE2 GLN 33 6.391 8.956 -7.502 306 H ALA 34 HN ALA 34 3.096 9.330 -1.995 307 HA ALA 34 HA ALA 34 1.295 7.192 -2.409 308 1HB ALA 34 HB1 ALA 34 2.768 6.300 -0.987 309 2HB ALA 34 HB2 ALA 34 1.961 7.190 0.303 310 3HB ALA 34 HB3 ALA 34 3.360 7.892 -0.510 311 H LEU 35 HN LEU 35 1.352 9.828 -0.017 312 HA LEU 35 HA LEU 35 -1.251 9.286 0.976 313 1HB LEU 35 HB2 LEU 35 -0.378 12.086 1.132 314 2HB LEU 35 HB1 LEU 35 -0.923 11.007 2.403 315 HG LEU 35 HG LEU 35 1.491 9.945 1.897 316 1HD1 LEU 35 1HD1 LEU 35 3.099 11.615 1.411 317 2HD1 LEU 35 2HD1 LEU 35 1.902 12.904 1.543 318 3HD1 LEU 35 3HD1 LEU 35 1.836 11.775 0.188 319 1HD2 LEU 35 1HD2 LEU 35 1.977 10.624 3.999 320 2HD2 LEU 35 2HD2 LEU 35 0.292 11.143 3.992 321 3HD2 LEU 35 3HD2 LEU 35 1.573 12.308 3.663 322 H LEU 36 HN LEU 36 0.064 11.172 -1.641 323 HA LEU 36 HA LEU 36 -2.236 12.686 -2.210 324 1HB LEU 36 HB2 LEU 36 0.341 12.206 -3.468 325 2HB LEU 36 HB1 LEU 36 -0.946 12.412 -4.640 326 HG LEU 36 HG LEU 36 -0.362 14.372 -2.425 327 1HD1 LEU 36 1HD1 LEU 36 0.250 15.025 -5.241 328 2HD1 LEU 36 2HD1 LEU 36 1.354 13.918 -4.423 329 3HD1 LEU 36 3HD1 LEU 36 1.059 15.524 -3.755 330 1HD2 LEU 36 1HD2 LEU 36 -1.848 14.978 -4.938 331 2HD2 LEU 36 2HD2 LEU 36 -1.959 15.740 -3.352 332 3HD2 LEU 36 3HD2 LEU 36 -2.678 14.152 -3.619 333 H ARG 37 HN ARG 37 -1.011 9.679 -3.786 334 HA ARG 37 HA ARG 37 -3.274 9.369 -5.417 335 1HB ARG 37 HB2 ARG 37 -1.091 8.238 -5.796 336 2HB ARG 37 HB1 ARG 37 -1.417 7.216 -4.402 337 1HG ARG 37 HG2 ARG 37 -3.579 6.584 -5.665 338 2HG ARG 37 HG1 ARG 37 -2.747 7.237 -7.077 339 1HD ARG 37 HD2 ARG 37 -1.408 5.454 -7.239 340 2HD ARG 37 HD1 ARG 37 -1.073 5.445 -5.508 341 HE ARG 37 HE ARG 37 -3.022 3.863 -6.908 342 1HH1 ARG 37 1HH1 ARG 37 -2.149 5.254 -3.828 343 2HH1 ARG 37 2HH1 ARG 37 -3.054 4.099 -2.908 344 1HH2 ARG 37 1HH2 ARG 37 -4.212 2.345 -5.701 345 2HH2 ARG 37 2HH2 ARG 37 -4.225 2.447 -3.971 346 H ILE 38 HN ILE 38 -2.614 8.409 -2.123 347 HA ILE 38 HA ILE 38 -4.934 6.718 -1.980 348 HB ILE 38 HB ILE 38 -3.322 7.926 0.272 349 1HG1 ILE 38 2HG1 ILE 38 -3.090 5.095 -0.685 350 2HG1 ILE 38 1HG1 ILE 38 -2.215 6.371 -1.527 351 1HG2 ILE 38 1HG2 ILE 38 -5.231 5.589 0.239 352 2HG2 ILE 38 2HG2 ILE 38 -5.532 7.165 0.972 353 3HG2 ILE 38 3HG2 ILE 38 -4.270 6.117 1.621 354 1HD1 ILE 38 1HD1 ILE 38 -0.594 6.054 -0.045 355 2HD1 ILE 38 2HD1 ILE 38 -1.629 5.061 0.982 356 3HD1 ILE 38 3HD1 ILE 38 -1.650 6.817 1.145 357 H LEU 39 HN LEU 39 -4.075 9.919 -0.702 358 HA LEU 39 HA LEU 39 -6.659 10.496 0.282 359 1HB LEU 39 HB2 LEU 39 -4.568 11.588 1.050 360 2HB LEU 39 HB1 LEU 39 -4.471 12.423 -0.489 361 HG LEU 39 HG LEU 39 -7.007 12.780 0.979 362 1HD1 LEU 39 1HD1 LEU 39 -6.256 13.904 2.786 363 2HD1 LEU 39 2HD1 LEU 39 -4.818 14.499 1.956 364 3HD1 LEU 39 3HD1 LEU 39 -4.857 12.850 2.582 365 1HD2 LEU 39 1HD2 LEU 39 -6.817 15.013 0.146 366 2HD2 LEU 39 2HD2 LEU 39 -6.394 13.905 -1.160 367 3HD2 LEU 39 3HD2 LEU 39 -5.125 14.763 -0.286 368 H LYS 40 HN LYS 40 -5.357 10.577 -2.926 369 HA LYS 40 HA LYS 40 -7.467 12.425 -3.778 370 1HB LYS 40 HB2 LYS 40 -6.296 12.727 -5.800 371 2HB LYS 40 HB1 LYS 40 -5.063 12.685 -4.549 372 1HG LYS 40 HG2 LYS 40 -4.798 10.221 -5.123 373 2HG LYS 40 HG1 LYS 40 -5.757 10.567 -6.555 374 1HD LYS 40 HD2 LYS 40 -3.064 10.695 -6.490 375 2HD LYS 40 HD1 LYS 40 -4.061 11.632 -7.597 376 1HE LYS 40 HE2 LYS 40 -4.007 13.495 -5.901 377 2HE LYS 40 HE1 LYS 40 -2.818 12.554 -5.003 378 1HZ LYS 40 HZ1 LYS 40 -1.217 12.948 -6.533 379 2HZ LYS 40 HZ2 LYS 40 -2.137 14.341 -6.804 380 3HZ LYS 40 HZ3 LYS 40 -2.294 13.011 -7.837 381 H GLU 41 HN GLU 41 -6.452 9.067 -4.087 382 HA GLU 41 HA GLU 41 -8.731 8.549 -5.852 383 1HB GLU 41 HB2 GLU 41 -7.725 6.568 -6.480 384 2HB GLU 41 HB1 GLU 41 -6.321 7.568 -6.142 385 1HG GLU 41 HG2 GLU 41 -5.635 5.831 -4.926 386 2HG GLU 41 HG1 GLU 41 -6.765 6.434 -3.714 387 H THR 42 HN THR 42 -8.183 8.768 -2.626 388 HA THR 42 HA THR 42 -10.453 7.016 -2.049 389 HB THR 42 HB THR 42 -7.897 7.172 -0.450 390 HG1 THR 42 HG1 THR 42 -9.106 5.150 -2.000 391 1HG2 THR 42 1HG2 THR 42 -9.364 5.081 0.558 392 2HG2 THR 42 2HG2 THR 42 -10.554 6.369 0.376 393 3HG2 THR 42 3HG2 THR 42 -9.101 6.642 1.335 394 H GLU 43 HN GLU 43 -9.577 10.050 -2.234 395 HA GLU 43 HA GLU 43 -9.821 11.369 0.140 396 1HB GLU 43 HB2 GLU 43 -11.332 13.009 -1.375 397 2HB GLU 43 HB1 GLU 43 -9.583 12.929 -1.495 398 1HG GLU 43 HG2 GLU 43 -9.629 11.965 -3.533 399 2HG GLU 43 HG1 GLU 43 -11.089 11.038 -3.184 400 H PHE 44 HN PHE 44 -12.608 10.658 -1.975 401 HA PHE 44 HA PHE 44 -14.390 11.005 0.298 402 1HB PHE 44 HB2 PHE 44 -14.703 10.954 -2.660 403 2HB PHE 44 HB1 PHE 44 -16.083 10.449 -1.690 404 HD1 PHE 44 HD1 PHE 44 -16.904 12.050 0.119 405 HD2 PHE 44 HD2 PHE 44 -14.265 13.208 -3.012 406 HE1 PHE 44 HE1 PHE 44 -17.514 14.406 0.482 407 HE2 PHE 44 HE2 PHE 44 -14.870 15.566 -2.655 408 HZ PHE 44 HZ PHE 44 -16.494 16.168 -0.905 409 H LYS 45 HN LYS 45 -12.858 8.469 -1.422 410 HA LYS 45 HA LYS 45 -14.782 6.438 -1.172 411 1HB LYS 45 HB2 LYS 45 -11.785 6.098 -1.062 412 2HB LYS 45 HB1 LYS 45 -12.965 4.870 -1.489 413 1HG LYS 45 HG2 LYS 45 -12.504 7.398 -3.056 414 2HG LYS 45 HG1 LYS 45 -11.774 5.835 -3.432 415 1HD LYS 45 HD2 LYS 45 -13.740 4.943 -4.179 416 2HD LYS 45 HD1 LYS 45 -14.724 5.939 -3.105 417 1HE LYS 45 HE2 LYS 45 -14.605 7.792 -4.520 418 2HE LYS 45 HE1 LYS 45 -13.204 7.158 -5.383 419 1HZ LYS 45 HZ1 LYS 45 -15.699 7.033 -6.308 420 2HZ LYS 45 HZ2 LYS 45 -15.601 5.533 -5.532 421 3HZ LYS 45 HZ3 LYS 45 -14.486 5.935 -6.740 422 H LYS 46 HN LYS 46 -12.152 7.418 1.011 423 HA LYS 46 HA LYS 46 -12.581 5.457 2.970 424 1HB LYS 46 HB2 LYS 46 -11.283 6.881 4.452 425 2HB LYS 46 HB1 LYS 46 -10.556 6.859 2.852 426 1HG LYS 46 HG2 LYS 46 -11.209 9.040 2.387 427 2HG LYS 46 HG1 LYS 46 -12.446 9.039 3.645 428 1HD LYS 46 HD2 LYS 46 -10.698 10.362 4.500 429 2HD LYS 46 HD1 LYS 46 -10.530 8.801 5.305 430 1HE LYS 46 HE2 LYS 46 -8.373 9.719 4.531 431 2HE LYS 46 HE1 LYS 46 -8.759 8.164 3.797 432 1HZ LYS 46 HZ1 LYS 46 -9.631 10.512 2.327 433 2HZ LYS 46 HZ2 LYS 46 -8.946 9.073 1.762 434 3HZ LYS 46 HZ3 LYS 46 -7.958 10.282 2.411 435 H ILE 47 HN ILE 47 -14.300 8.364 2.232 436 HA ILE 47 HA ILE 47 -15.490 8.940 4.687 437 HB ILE 47 HB ILE 47 -16.751 9.259 1.962 438 1HG1 ILE 47 2HG1 ILE 47 -14.501 10.295 2.134 439 2HG1 ILE 47 1HG1 ILE 47 -15.782 11.487 1.938 440 1HG2 ILE 47 1HG2 ILE 47 -17.332 10.506 4.637 441 2HG2 ILE 47 2HG2 ILE 47 -18.419 9.570 3.611 442 3HG2 ILE 47 3HG2 ILE 47 -17.908 11.183 3.114 443 1HD1 ILE 47 1HD1 ILE 47 -14.245 10.812 4.423 444 2HD1 ILE 47 2HD1 ILE 47 -15.721 11.776 4.441 445 3HD1 ILE 47 3HD1 ILE 47 -14.306 12.345 3.556 446 H LYS 48 HN LYS 48 -16.798 6.953 2.022 447 HA LYS 48 HA LYS 48 -19.111 6.123 3.374 448 1HB LYS 48 HB2 LYS 48 -19.060 4.195 1.721 449 2HB LYS 48 HB1 LYS 48 -19.057 5.811 1.028 450 1HG LYS 48 HG2 LYS 48 -16.765 5.679 0.481 451 2HG LYS 48 HG1 LYS 48 -16.540 4.234 1.467 452 1HD LYS 48 HD2 LYS 48 -17.882 2.929 -0.047 453 2HD LYS 48 HD1 LYS 48 -18.304 4.370 -0.975 454 1HE LYS 48 HE2 LYS 48 -16.603 3.706 -2.294 455 2HE LYS 48 HE1 LYS 48 -15.610 4.497 -1.070 456 1HZ LYS 48 HZ1 LYS 48 -15.943 1.669 -1.645 457 2HZ LYS 48 HZ2 LYS 48 -15.855 2.078 -0.006 458 3HZ LYS 48 HZ3 LYS 48 -14.595 2.503 -1.052 459 H VAL 49 HN VAL 49 -15.834 4.908 3.388 460 HA VAL 49 HA VAL 49 -16.368 2.434 4.672 461 HB VAL 49 HB VAL 49 -13.795 4.013 4.765 462 1HG1 VAL 49 1HG1 VAL 49 -12.791 2.185 5.616 463 2HG1 VAL 49 2HG1 VAL 49 -13.776 1.073 4.666 464 3HG1 VAL 49 3HG1 VAL 49 -14.422 1.775 6.149 465 1HG2 VAL 49 1HG2 VAL 49 -13.932 3.832 2.516 466 2HG2 VAL 49 2HG2 VAL 49 -15.089 2.503 2.584 467 3HG2 VAL 49 3HG2 VAL 49 -13.371 2.190 2.835 468 H LEU 50 HN LEU 50 -15.438 5.641 5.859 469 HA LEU 50 HA LEU 50 -15.273 4.827 8.594 470 1HB LEU 50 HB2 LEU 50 -15.541 7.584 7.392 471 2HB LEU 50 HB1 LEU 50 -15.148 7.244 9.067 472 HG LEU 50 HG LEU 50 -13.407 6.188 6.868 473 1HD1 LEU 50 1HD1 LEU 50 -12.362 8.149 6.488 474 2HD1 LEU 50 2HD1 LEU 50 -12.626 8.733 8.131 475 3HD1 LEU 50 3HD1 LEU 50 -13.927 8.824 6.943 476 1HD2 LEU 50 1HD2 LEU 50 -13.272 6.546 9.797 477 2HD2 LEU 50 2HD2 LEU 50 -11.785 6.837 8.895 478 3HD2 LEU 50 3HD2 LEU 50 -12.598 5.277 8.775 479 H GLY 51 HN GLY 51 -17.792 6.045 6.510 480 1HA GLY 51 HA2 GLY 51 -19.603 6.397 8.787 481 2HA GLY 51 HA1 GLY 51 -19.915 6.900 7.133 482 H SER 52 HN SER 52 -18.688 3.727 7.907 483 HA SER 52 HA SER 52 -20.727 2.411 6.474 484 1HB SER 52 HB2 SER 52 -18.513 1.419 6.763 485 2HB SER 52 HB1 SER 52 -18.772 1.304 8.503 486 HG SER 52 HG SER 52 -19.690 -0.305 6.474 487 H GLY 53 HN GLY 53 -20.343 3.212 9.863 488 1HA GLY 53 HA2 GLY 53 -21.918 3.255 11.547 489 2HA GLY 53 HA1 GLY 53 -23.129 2.793 10.360 Start of MODEL 10 1 1H ARG 1 HT1 ARG 1 -3.746 -16.813 3.758 2 2H ARG 1 HT2 ARG 1 -4.326 -16.607 5.360 3 3H ARG 1 HT3 ARG 1 -4.703 -18.035 4.486 4 HA ARG 1 HA ARG 1 -2.934 -18.198 6.210 5 1HB ARG 1 HB2 ARG 1 -2.588 -18.984 3.319 6 2HB ARG 1 HB1 ARG 1 -1.502 -19.556 4.578 7 1HG ARG 1 HG2 ARG 1 -4.352 -19.930 5.157 8 2HG ARG 1 HG1 ARG 1 -3.745 -20.840 3.773 9 1HD ARG 1 HD2 ARG 1 -2.336 -22.110 5.050 10 2HD ARG 1 HD1 ARG 1 -2.133 -20.852 6.269 11 HE ARG 1 HE ARG 1 -4.138 -22.913 6.216 12 1HH1 ARG 1 1HH1 ARG 1 -3.328 -19.738 7.417 13 2HH1 ARG 1 2HH1 ARG 1 -4.411 -19.833 8.764 14 1HH2 ARG 1 1HH2 ARG 1 -5.564 -23.041 7.987 15 2HH2 ARG 1 2HH2 ARG 1 -5.680 -21.709 9.088 16 H ARG 2 HN ARG 2 -2.740 -15.414 5.397 17 HA ARG 2 HA ARG 2 -1.210 -13.735 5.308 18 1HB ARG 2 HB2 ARG 2 0.355 -16.003 6.460 19 2HB ARG 2 HB1 ARG 2 1.216 -14.547 5.978 20 1HG ARG 2 HG2 ARG 2 -0.963 -13.626 7.441 21 2HG ARG 2 HG1 ARG 2 -0.396 -15.049 8.316 22 1HD ARG 2 HD2 ARG 2 1.532 -14.060 8.931 23 2HD ARG 2 HD1 ARG 2 1.720 -13.234 7.385 24 HE ARG 2 HE ARG 2 -0.387 -12.015 8.731 25 1HH1 ARG 2 1HH1 ARG 2 3.053 -12.446 9.124 26 2HH1 ARG 2 2HH1 ARG 2 3.266 -10.962 9.991 27 1HH2 ARG 2 1HH2 ARG 2 -0.110 -10.063 9.871 28 2HH2 ARG 2 2HH2 ARG 2 1.471 -9.610 10.415 29 H ARG 3 HN ARG 3 1.020 -13.126 4.303 30 HA ARG 3 HA ARG 3 1.608 -14.696 1.914 31 1HB ARG 3 HB2 ARG 3 0.091 -12.240 1.908 32 2HB ARG 3 HB1 ARG 3 1.592 -12.032 1.015 33 1HG ARG 3 HG2 ARG 3 1.030 -13.627 -0.561 34 2HG ARG 3 HG1 ARG 3 -0.144 -14.407 0.500 35 1HD ARG 3 HD2 ARG 3 -1.768 -12.827 0.088 36 2HD ARG 3 HD1 ARG 3 -0.595 -11.584 -0.346 37 HE ARG 3 HE ARG 3 -0.663 -13.786 -2.187 38 1HH1 ARG 3 1HH1 ARG 3 -2.121 -10.730 -1.342 39 2HH1 ARG 3 2HH1 ARG 3 -2.702 -10.422 -2.944 40 1HH2 ARG 3 1HH2 ARG 3 -1.426 -13.382 -4.295 41 2HH2 ARG 3 2HH2 ARG 3 -2.308 -11.927 -4.620 42 H HIS 4 HN HIS 4 3.579 -15.108 3.032 43 HA HIS 4 HA HIS 4 5.360 -12.814 3.408 44 1HB HIS 4 HB2 HIS 4 4.944 -14.962 5.010 45 2HB HIS 4 HB1 HIS 4 6.323 -15.530 4.074 46 HD1 HIS 4 HD1 HIS 4 6.815 -15.124 6.984 47 HD2 HIS 4 HD2 HIS 4 7.250 -12.054 4.217 48 HE1 HIS 4 HE1 HIS 4 8.362 -13.459 8.062 49 HE2 HIS 4 HE2 HIS 4 8.545 -11.573 6.403 50 H ILE 5 HN ILE 5 4.623 -13.781 0.756 51 HA ILE 5 HA ILE 5 7.134 -14.947 -0.209 52 HB ILE 5 HB ILE 5 4.618 -14.460 -1.798 53 1HG1 ILE 5 2HG1 ILE 5 4.674 -17.142 -1.436 54 2HG1 ILE 5 1HG1 ILE 5 5.344 -16.610 0.103 55 1HG2 ILE 5 1HG2 ILE 5 6.835 -14.769 -2.976 56 2HG2 ILE 5 2HG2 ILE 5 5.551 -15.889 -3.429 57 3HG2 ILE 5 3HG2 ILE 5 6.836 -16.414 -2.342 58 1HD1 ILE 5 1HD1 ILE 5 3.072 -15.014 -0.473 59 2HD1 ILE 5 2HD1 ILE 5 3.311 -16.170 0.838 60 3HD1 ILE 5 3HD1 ILE 5 2.642 -16.708 -0.703 61 H VAL 6 HN VAL 6 4.888 -12.313 -1.054 62 HA VAL 6 HA VAL 6 7.058 -10.970 -2.491 63 HB VAL 6 HB VAL 6 4.141 -10.199 -2.380 64 1HG1 VAL 6 1HG1 VAL 6 6.327 -8.746 -3.236 65 2HG1 VAL 6 2HG1 VAL 6 4.646 -8.460 -3.687 66 3HG1 VAL 6 3HG1 VAL 6 5.684 -9.438 -4.725 67 1HG2 VAL 6 1HG2 VAL 6 4.770 -12.506 -3.378 68 2HG2 VAL 6 2HG2 VAL 6 5.429 -11.561 -4.714 69 3HG2 VAL 6 3HG2 VAL 6 3.720 -11.430 -4.299 70 H ARG 7 HN ARG 7 7.362 -11.011 0.259 71 HA ARG 7 HA ARG 7 6.895 -8.185 0.946 72 1HB ARG 7 HB2 ARG 7 5.469 -9.823 2.244 73 2HB ARG 7 HB1 ARG 7 6.956 -10.449 2.943 74 1HG ARG 7 HG2 ARG 7 7.436 -8.278 3.919 75 2HG ARG 7 HG1 ARG 7 5.982 -7.608 3.176 76 1HD ARG 7 HD2 ARG 7 4.868 -9.656 4.460 77 2HD ARG 7 HD1 ARG 7 6.272 -9.425 5.503 78 HE ARG 7 HE ARG 7 4.852 -6.993 4.944 79 1HH1 ARG 7 1HH1 ARG 7 4.998 -9.800 7.013 80 2HH1 ARG 7 2HH1 ARG 7 4.176 -9.029 8.328 81 1HH2 ARG 7 1HH2 ARG 7 3.772 -5.977 6.672 82 2HH2 ARG 7 2HH2 ARG 7 3.480 -6.859 8.134 83 H LYS 8 HN LYS 8 8.901 -11.048 1.592 84 HA LYS 8 HA LYS 8 10.996 -9.594 2.838 85 1HB LYS 8 HB2 LYS 8 12.314 -11.690 2.488 86 2HB LYS 8 HB1 LYS 8 10.779 -11.933 3.308 87 1HG LYS 8 HG2 LYS 8 9.783 -12.845 1.357 88 2HG LYS 8 HG1 LYS 8 11.154 -12.362 0.357 89 1HD LYS 8 HD2 LYS 8 12.047 -13.992 2.554 90 2HD LYS 8 HD1 LYS 8 10.764 -14.815 1.666 91 1HE LYS 8 HE2 LYS 8 12.494 -15.483 0.373 92 2HE LYS 8 HE1 LYS 8 12.224 -13.919 -0.395 93 1HZ LYS 8 HZ1 LYS 8 14.008 -13.937 1.903 94 2HZ LYS 8 HZ2 LYS 8 14.119 -13.075 0.452 95 3HZ LYS 8 HZ3 LYS 8 14.586 -14.699 0.508 96 H ARG 9 HN ARG 9 10.323 -10.533 -0.481 97 HA ARG 9 HA ARG 9 12.919 -9.665 -1.416 98 1HB ARG 9 HB2 ARG 9 12.080 -10.260 -3.638 99 2HB ARG 9 HB1 ARG 9 11.824 -11.566 -2.488 100 1HG ARG 9 HG2 ARG 9 9.773 -11.595 -3.405 101 2HG ARG 9 HG1 ARG 9 9.473 -10.289 -2.259 102 1HD ARG 9 HD2 ARG 9 9.115 -8.846 -3.910 103 2HD ARG 9 HD1 ARG 9 10.663 -9.244 -4.656 104 HE ARG 9 HE ARG 9 9.091 -11.311 -5.390 105 1HH1 ARG 9 1HH1 ARG 9 8.696 -7.849 -5.585 106 2HH1 ARG 9 2HH1 ARG 9 7.717 -7.916 -7.010 107 1HH2 ARG 9 1HH2 ARG 9 7.803 -11.401 -7.265 108 2HH2 ARG 9 2HH2 ARG 9 7.209 -9.932 -7.965 109 H THR 10 HN THR 10 9.804 -8.263 -0.934 110 HA THR 10 HA THR 10 10.165 -6.139 -2.848 111 HB THR 10 HB THR 10 7.956 -7.201 -1.784 112 HG1 THR 10 HG1 THR 10 8.011 -5.683 -3.480 113 1HG2 THR 10 1HG2 THR 10 6.908 -5.668 -0.214 114 2HG2 THR 10 2HG2 THR 10 8.411 -4.752 -0.094 115 3HG2 THR 10 3HG2 THR 10 8.342 -6.414 0.486 116 H LEU 11 HN LEU 11 10.297 -6.470 0.681 117 HA LEU 11 HA LEU 11 10.776 -3.856 1.406 118 1HB LEU 11 HB2 LEU 11 12.064 -4.824 3.336 119 2HB LEU 11 HB1 LEU 11 10.442 -5.452 3.118 120 HG LEU 11 HG LEU 11 11.475 -7.434 1.940 121 1HD1 LEU 11 1HD1 LEU 11 13.607 -7.120 1.325 122 2HD1 LEU 11 2HD1 LEU 11 13.980 -7.581 2.986 123 3HD1 LEU 11 3HD1 LEU 11 13.883 -5.876 2.544 124 1HD2 LEU 11 1HD2 LEU 11 12.198 -6.933 4.825 125 2HD2 LEU 11 2HD2 LEU 11 12.168 -8.513 4.042 126 3HD2 LEU 11 3HD2 LEU 11 10.676 -7.589 4.222 127 H ARG 12 HN ARG 12 12.824 -6.025 -0.314 128 HA ARG 12 HA ARG 12 15.317 -4.893 0.276 129 1HB ARG 12 HB2 ARG 12 14.214 -6.759 -1.689 130 2HB ARG 12 HB1 ARG 12 15.564 -5.819 -2.308 131 1HG ARG 12 HG2 ARG 12 17.070 -6.839 -0.972 132 2HG ARG 12 HG1 ARG 12 15.928 -7.016 0.363 133 1HD ARG 12 HD2 ARG 12 16.394 -9.202 -0.427 134 2HD ARG 12 HD1 ARG 12 14.777 -8.790 -0.999 135 HE ARG 12 HE ARG 12 15.549 -8.881 -3.155 136 1HH1 ARG 12 1HH1 ARG 12 18.273 -8.793 -0.974 137 2HH1 ARG 12 2HH1 ARG 12 19.437 -9.114 -2.213 138 1HH2 ARG 12 1HH2 ARG 12 17.081 -9.304 -4.789 139 2HH2 ARG 12 2HH2 ARG 12 18.760 -9.404 -4.380 140 H ARG 13 HN ARG 13 12.690 -3.717 -1.561 141 HA ARG 13 HA ARG 13 14.200 -2.055 -3.341 142 1HB ARG 13 HB2 ARG 13 11.342 -2.511 -2.719 143 2HB ARG 13 HB1 ARG 13 11.749 -0.923 -3.354 144 1HG ARG 13 HG2 ARG 13 13.105 -2.621 -5.034 145 2HG ARG 13 HG1 ARG 13 11.610 -3.498 -4.699 146 1HD ARG 13 HD2 ARG 13 10.289 -1.891 -5.671 147 2HD ARG 13 HD1 ARG 13 11.452 -0.600 -5.368 148 HE ARG 13 HE ARG 13 12.362 -2.566 -7.259 149 1HH1 ARG 13 1HH1 ARG 13 10.561 0.395 -6.847 150 2HH1 ARG 13 2HH1 ARG 13 10.784 0.906 -8.487 151 1HH2 ARG 13 1HH2 ARG 13 12.656 -1.895 -9.415 152 2HH2 ARG 13 2HH2 ARG 13 11.972 -0.395 -9.946 153 H LEU 14 HN LEU 14 11.834 -1.067 -0.878 154 HA LEU 14 HA LEU 14 12.568 1.552 -0.615 155 1HB LEU 14 HB2 LEU 14 11.337 -0.425 1.227 156 2HB LEU 14 HB1 LEU 14 11.886 1.088 1.923 157 HG LEU 14 HG LEU 14 10.178 1.242 -0.505 158 1HD1 LEU 14 1HD1 LEU 14 9.308 -0.461 1.359 159 2HD1 LEU 14 2HD1 LEU 14 8.230 0.605 0.456 160 3HD1 LEU 14 3HD1 LEU 14 8.755 1.051 2.080 161 1HD2 LEU 14 1HD2 LEU 14 9.665 3.326 0.278 162 2HD2 LEU 14 2HD2 LEU 14 11.267 3.127 0.990 163 3HD2 LEU 14 3HD2 LEU 14 9.826 2.852 1.970 164 H LEU 15 HN LEU 15 14.311 -1.223 0.546 165 HA LEU 15 HA LEU 15 15.982 0.369 2.303 166 1HB LEU 15 HB2 LEU 15 16.170 -2.555 1.597 167 2HB LEU 15 HB1 LEU 15 17.053 -1.740 2.873 168 HG LEU 15 HG LEU 15 14.045 -1.909 2.824 169 1HD1 LEU 15 1HD1 LEU 15 15.581 -4.107 2.994 170 2HD1 LEU 15 2HD1 LEU 15 14.052 -3.915 3.853 171 3HD1 LEU 15 3HD1 LEU 15 15.576 -3.606 4.685 172 1HD2 LEU 15 1HD2 LEU 15 14.342 -1.460 5.252 173 2HD2 LEU 15 2HD2 LEU 15 14.873 -0.139 4.213 174 3HD2 LEU 15 3HD2 LEU 15 16.061 -1.211 4.953 175 H GLN 16 HN GLN 16 16.757 -1.958 -0.309 176 HA GLN 16 HA GLN 16 19.330 -0.716 -0.680 177 1HB GLN 16 HB2 GLN 16 17.961 -3.140 -1.720 178 2HB GLN 16 HB1 GLN 16 19.283 -2.478 -2.670 179 1HG GLN 16 HG2 GLN 16 19.487 -3.211 0.239 180 2HG GLN 16 HG1 GLN 16 19.958 -4.264 -1.094 181 1HE2 GLN 16 1HE2 GLN 16 20.740 -1.438 0.745 182 2HE2 GLN 16 2HE2 GLN 16 22.332 -1.211 0.112 183 H GLU 17 HN GLU 17 16.240 -0.638 -2.318 184 HA GLU 17 HA GLU 17 17.386 0.672 -4.646 185 1HB GLU 17 HB2 GLU 17 14.601 -0.208 -3.931 186 2HB GLU 17 HB1 GLU 17 14.905 0.829 -5.314 187 1HG GLU 17 HG2 GLU 17 14.732 -1.564 -5.887 188 2HG GLU 17 HG1 GLU 17 16.271 -0.836 -6.349 189 H ARG 18 HN ARG 18 16.905 1.748 -1.681 190 HA ARG 18 HA ARG 18 15.248 3.941 -1.715 191 1HB ARG 18 HB2 ARG 18 16.715 4.916 0.006 192 2HB ARG 18 HB1 ARG 18 16.407 3.209 0.297 193 1HG ARG 18 HG2 ARG 18 18.570 2.591 -0.319 194 2HG ARG 18 HG1 ARG 18 18.870 4.122 -1.143 195 1HD ARG 18 HD2 ARG 18 19.675 5.029 0.719 196 2HD ARG 18 HD1 ARG 18 18.218 4.597 1.614 197 HE ARG 18 HE ARG 18 20.028 2.399 1.238 198 1HH1 ARG 18 1HH1 ARG 18 19.250 5.144 3.247 199 2HH1 ARG 18 2HH1 ARG 18 20.028 4.495 4.651 200 1HH2 ARG 18 1HH2 ARG 18 21.052 1.543 3.084 201 2HH2 ARG 18 2HH2 ARG 18 21.051 2.452 4.560 202 H GLU 19 HN GLU 19 18.308 3.522 -3.306 203 HA GLU 19 HA GLU 19 17.907 5.944 -4.811 204 1HB GLU 19 HB2 GLU 19 20.025 6.991 -4.243 205 2HB GLU 19 HB1 GLU 19 19.047 6.795 -2.794 206 1HG GLU 19 HG2 GLU 19 20.361 4.695 -2.336 207 2HG GLU 19 HG1 GLU 19 21.443 5.192 -3.637 208 H LEU 20 HN LEU 20 17.957 3.222 -5.506 209 HA LEU 20 HA LEU 20 20.455 3.042 -7.061 210 1HB LEU 20 HB2 LEU 20 19.491 1.215 -5.265 211 2HB LEU 20 HB1 LEU 20 18.863 0.591 -6.778 212 HG LEU 20 HG LEU 20 21.483 1.103 -7.418 213 1HD1 LEU 20 1HD1 LEU 20 21.296 0.370 -4.521 214 2HD1 LEU 20 2HD1 LEU 20 22.316 1.578 -5.303 215 3HD1 LEU 20 3HD1 LEU 20 22.671 -0.138 -5.502 216 1HD2 LEU 20 1HD2 LEU 20 20.350 -1.466 -6.317 217 2HD2 LEU 20 2HD2 LEU 20 21.762 -1.305 -7.361 218 3HD2 LEU 20 3HD2 LEU 20 20.161 -0.892 -7.975 219 H VAL 21 HN VAL 21 16.980 2.291 -7.131 220 HA VAL 21 HA VAL 21 16.768 1.564 -9.806 221 HB VAL 21 HB VAL 21 14.376 2.426 -9.604 222 1HG1 VAL 21 1HG1 VAL 21 14.632 0.146 -9.274 223 2HG1 VAL 21 2HG1 VAL 21 13.870 0.671 -7.772 224 3HG1 VAL 21 3HG1 VAL 21 15.606 0.363 -7.819 225 1HG2 VAL 21 1HG2 VAL 21 14.998 2.701 -6.684 226 2HG2 VAL 21 2HG2 VAL 21 13.570 3.236 -7.572 227 3HG2 VAL 21 3HG2 VAL 21 15.103 4.084 -7.774 228 H GLU 22 HN GLU 22 16.910 4.740 -8.326 229 HA GLU 22 HA GLU 22 17.689 5.999 -10.726 230 1HB GLU 22 HB2 GLU 22 14.807 5.985 -10.078 231 2HB GLU 22 HB1 GLU 22 15.478 7.555 -10.501 232 1HG GLU 22 HG2 GLU 22 15.434 7.041 -12.648 233 2HG GLU 22 HG1 GLU 22 16.419 5.607 -12.361 234 HA PRO 23 HA PRO 23 19.120 8.651 -7.441 235 1HB PRO 23 HB2 PRO 23 20.381 10.499 -8.962 236 2HB PRO 23 HB1 PRO 23 21.043 8.883 -8.689 237 1HG PRO 23 HG2 PRO 23 19.525 9.935 -11.046 238 2HG PRO 23 HG1 PRO 23 20.975 8.914 -11.015 239 1HD PRO 23 HD2 PRO 23 18.484 7.917 -11.425 240 2HD PRO 23 HD1 PRO 23 19.766 6.994 -10.615 241 H LEU 24 HN LEU 24 17.209 9.776 -10.151 242 HA LEU 24 HA LEU 24 16.672 12.362 -9.016 243 1HB LEU 24 HB2 LEU 24 14.930 12.445 -10.856 244 2HB LEU 24 HB1 LEU 24 16.601 12.291 -11.362 245 HG LEU 24 HG LEU 24 15.150 9.742 -11.047 246 1HD1 LEU 24 1HD1 LEU 24 14.499 11.580 -13.345 247 2HD1 LEU 24 2HD1 LEU 24 13.412 11.229 -12.002 248 3HD1 LEU 24 3HD1 LEU 24 13.909 9.936 -13.094 249 1HD2 LEU 24 1HD2 LEU 24 16.531 10.519 -13.538 250 2HD2 LEU 24 2HD2 LEU 24 16.622 9.026 -12.606 251 3HD2 LEU 24 3HD2 LEU 24 17.524 10.447 -12.083 252 H THR 25 HN THR 25 15.115 9.226 -9.071 253 HA THR 25 HA THR 25 12.641 10.165 -7.958 254 HB THR 25 HB THR 25 11.987 7.861 -7.889 255 HG1 THR 25 HG1 THR 25 14.742 7.293 -8.215 256 1HG2 THR 25 1HG2 THR 25 11.872 8.479 -10.117 257 2HG2 THR 25 2HG2 THR 25 12.821 6.993 -10.152 258 3HG2 THR 25 3HG2 THR 25 13.626 8.557 -10.289 259 HA PRO 26 HA PRO 26 14.374 10.544 -3.805 260 1HB PRO 26 HB2 PRO 26 11.469 10.723 -3.179 261 2HB PRO 26 HB1 PRO 26 12.793 11.787 -2.692 262 1HG PRO 26 HG2 PRO 26 11.078 12.536 -4.584 263 2HG PRO 26 HG1 PRO 26 12.805 12.918 -4.717 264 1HD PRO 26 HD2 PRO 26 11.211 10.820 -6.126 265 2HD PRO 26 HD1 PRO 26 12.545 11.823 -6.732 266 H SER 27 HN SER 27 11.790 8.409 -4.836 267 HA SER 27 HA SER 27 12.823 6.171 -3.499 268 1HB SER 27 HB2 SER 27 12.108 7.062 -1.422 269 2HB SER 27 HB1 SER 27 10.575 7.614 -2.097 270 HG SER 27 HG SER 27 10.523 5.624 -0.806 271 H GLY 28 HN GLY 28 9.927 7.755 -4.755 272 1HA GLY 28 HA2 GLY 28 8.762 6.952 -6.662 273 2HA GLY 28 HA1 GLY 28 9.381 5.342 -6.330 274 H GLU 29 HN GLU 29 8.637 4.564 -4.014 275 HA GLU 29 HA GLU 29 5.718 4.901 -3.976 276 1HB GLU 29 HB2 GLU 29 5.825 2.735 -2.614 277 2HB GLU 29 HB1 GLU 29 6.204 2.629 -4.328 278 1HG GLU 29 HG2 GLU 29 8.566 2.577 -3.845 279 2HG GLU 29 HG1 GLU 29 8.247 2.808 -2.126 280 H ALA 30 HN ALA 30 7.574 6.760 -2.721 281 HA ALA 30 HA ALA 30 7.571 6.274 0.101 282 1HB ALA 30 HB1 ALA 30 8.516 8.385 -1.708 283 2HB ALA 30 HB2 ALA 30 9.263 7.706 -0.263 284 3HB ALA 30 HB3 ALA 30 8.016 8.942 -0.111 285 HA PRO 31 HA PRO 31 3.787 7.897 1.647 286 1HB PRO 31 HB2 PRO 31 5.229 10.246 2.784 287 2HB PRO 31 HB1 PRO 31 4.133 9.107 3.575 288 1HG PRO 31 HG2 PRO 31 6.759 8.949 3.967 289 2HG PRO 31 HG1 PRO 31 5.772 7.484 3.808 290 1HD PRO 31 HD2 PRO 31 7.623 8.746 1.838 291 2HD PRO 31 HD1 PRO 31 7.282 7.029 2.129 292 H ASN 32 HN ASN 32 5.892 10.468 0.387 293 HA ASN 32 HA ASN 32 4.181 12.498 -0.111 294 1HB ASN 32 HB2 ASN 32 6.724 11.964 -0.858 295 2HB ASN 32 HB1 ASN 32 5.913 11.849 -2.417 296 1HD2 ASN 32 1HD2 ASN 32 3.984 13.742 -2.229 297 2HD2 ASN 32 2HD2 ASN 32 4.698 15.306 -2.067 298 H GLN 33 HN GLN 33 4.898 10.161 -2.716 299 HA GLN 33 HA GLN 33 2.622 10.905 -4.230 300 1HB GLN 33 HB2 GLN 33 3.938 8.239 -4.549 301 2HB GLN 33 HB1 GLN 33 3.245 9.291 -5.773 302 1HG GLN 33 HG2 GLN 33 5.341 10.741 -4.605 303 2HG GLN 33 HG1 GLN 33 5.951 9.106 -4.856 304 1HE2 GLN 33 1HE2 GLN 33 7.383 10.131 -6.393 305 2HE2 GLN 33 2HE2 GLN 33 6.825 10.441 -7.999 306 H ALA 34 HN ALA 34 3.058 8.704 -1.611 307 HA ALA 34 HA ALA 34 0.855 7.000 -2.128 308 1HB ALA 34 HB1 ALA 34 1.859 5.959 -0.424 309 2HB ALA 34 HB2 ALA 34 1.140 7.162 0.647 310 3HB ALA 34 HB3 ALA 34 2.764 7.412 0.005 311 H LEU 35 HN LEU 35 1.255 9.731 0.106 312 HA LEU 35 HA LEU 35 -1.476 10.016 0.732 313 1HB LEU 35 HB2 LEU 35 0.560 12.231 0.763 314 2HB LEU 35 HB1 LEU 35 -0.878 12.079 1.756 315 HG LEU 35 HG LEU 35 1.094 9.904 2.047 316 1HD1 LEU 35 1HD1 LEU 35 2.378 11.407 3.678 317 2HD1 LEU 35 2HD1 LEU 35 1.702 12.752 2.758 318 3HD1 LEU 35 3HD1 LEU 35 2.731 11.564 1.957 319 1HD2 LEU 35 1HD2 LEU 35 -0.517 9.660 3.617 320 2HD2 LEU 35 2HD2 LEU 35 -0.889 11.383 3.663 321 3HD2 LEU 35 3HD2 LEU 35 0.523 10.762 4.518 322 H LEU 36 HN LEU 36 0.543 11.184 -1.844 323 HA LEU 36 HA LEU 36 -1.017 13.268 -2.812 324 1HB LEU 36 HB2 LEU 36 1.288 11.858 -3.637 325 2HB LEU 36 HB1 LEU 36 0.204 11.930 -5.013 326 HG LEU 36 HG LEU 36 0.839 14.410 -3.454 327 1HD1 LEU 36 1HD1 LEU 36 3.008 14.018 -3.949 328 2HD1 LEU 36 2HD1 LEU 36 2.518 14.630 -5.529 329 3HD1 LEU 36 3HD1 LEU 36 2.623 12.891 -5.249 330 1HD2 LEU 36 1HD2 LEU 36 -0.935 13.978 -5.418 331 2HD2 LEU 36 2HD2 LEU 36 0.489 14.363 -6.385 332 3HD2 LEU 36 3HD2 LEU 36 -0.101 15.515 -5.188 333 H ARG 37 HN ARG 37 -1.116 9.801 -3.761 334 HA ARG 37 HA ARG 37 -3.587 10.425 -5.222 335 1HB ARG 37 HB2 ARG 37 -3.233 8.418 -6.483 336 2HB ARG 37 HB1 ARG 37 -1.739 9.345 -6.472 337 1HG ARG 37 HG2 ARG 37 -0.764 7.874 -4.854 338 2HG ARG 37 HG1 ARG 37 -2.295 7.021 -4.641 339 1HD ARG 37 HD2 ARG 37 -1.795 6.923 -7.379 340 2HD ARG 37 HD1 ARG 37 -0.228 6.638 -6.628 341 HE ARG 37 HE ARG 37 -2.610 4.962 -6.405 342 1HH1 ARG 37 1HH1 ARG 37 0.722 5.536 -5.512 343 2HH1 ARG 37 2HH1 ARG 37 0.984 3.911 -4.979 344 1HH2 ARG 37 1HH2 ARG 37 -2.259 2.829 -5.699 345 2HH2 ARG 37 2HH2 ARG 37 -0.704 2.377 -5.083 346 H ILE 38 HN ILE 38 -2.650 8.954 -2.266 347 HA ILE 38 HA ILE 38 -4.755 6.998 -2.281 348 HB ILE 38 HB ILE 38 -2.809 6.627 -0.858 349 1HG1 ILE 38 2HG1 ILE 38 -4.447 6.682 1.392 350 2HG1 ILE 38 1HG1 ILE 38 -5.579 6.603 0.047 351 1HG2 ILE 38 1HG2 ILE 38 -2.783 9.206 -0.292 352 2HG2 ILE 38 2HG2 ILE 38 -2.102 8.010 0.810 353 3HG2 ILE 38 3HG2 ILE 38 -3.715 8.663 1.102 354 1HD1 ILE 38 1HD1 ILE 38 -4.403 4.617 -0.795 355 2HD1 ILE 38 2HD1 ILE 38 -5.048 4.385 0.830 356 3HD1 ILE 38 3HD1 ILE 38 -3.325 4.684 0.599 357 H LEU 39 HN LEU 39 -4.333 10.120 -0.628 358 HA LEU 39 HA LEU 39 -6.923 10.123 0.516 359 1HB LEU 39 HB2 LEU 39 -4.746 12.113 0.148 360 2HB LEU 39 HB1 LEU 39 -6.354 12.739 0.453 361 HG LEU 39 HG LEU 39 -5.234 12.618 2.546 362 1HD1 LEU 39 1HD1 LEU 39 -7.635 11.707 2.300 363 2HD1 LEU 39 2HD1 LEU 39 -6.761 11.406 3.802 364 3HD1 LEU 39 3HD1 LEU 39 -6.898 10.131 2.592 365 1HD2 LEU 39 1HD2 LEU 39 -3.722 10.665 1.484 366 2HD2 LEU 39 2HD2 LEU 39 -4.788 9.706 2.510 367 3HD2 LEU 39 3HD2 LEU 39 -3.817 10.998 3.213 368 H LYS 40 HN LYS 40 -5.783 10.668 -2.640 369 HA LYS 40 HA LYS 40 -8.111 12.264 -3.392 370 1HB LYS 40 HB2 LYS 40 -5.498 11.600 -4.704 371 2HB LYS 40 HB1 LYS 40 -6.841 12.201 -5.662 372 1HG LYS 40 HG2 LYS 40 -5.107 13.871 -4.820 373 2HG LYS 40 HG1 LYS 40 -6.809 14.280 -4.638 374 1HD LYS 40 HD2 LYS 40 -6.189 14.783 -2.524 375 2HD LYS 40 HD1 LYS 40 -6.341 13.053 -2.269 376 1HE LYS 40 HE2 LYS 40 -4.228 14.054 -1.405 377 2HE LYS 40 HE1 LYS 40 -4.007 12.720 -2.534 378 1HZ LYS 40 HZ1 LYS 40 -4.083 15.359 -3.731 379 2HZ LYS 40 HZ2 LYS 40 -3.054 14.056 -4.051 380 3HZ LYS 40 HZ3 LYS 40 -2.751 15.068 -2.730 381 H GLU 41 HN GLU 41 -6.595 9.142 -4.042 382 HA GLU 41 HA GLU 41 -8.808 8.425 -5.816 383 1HB GLU 41 HB2 GLU 41 -7.526 6.599 -6.536 384 2HB GLU 41 HB1 GLU 41 -6.339 7.870 -6.279 385 1HG GLU 41 HG2 GLU 41 -5.215 6.368 -5.101 386 2HG GLU 41 HG1 GLU 41 -6.418 6.630 -3.841 387 H THR 42 HN THR 42 -8.433 8.559 -2.632 388 HA THR 42 HA THR 42 -10.344 6.403 -2.195 389 HB THR 42 HB THR 42 -7.818 6.791 -0.586 390 HG1 THR 42 HG1 THR 42 -8.717 4.661 -2.221 391 1HG2 THR 42 1HG2 THR 42 -10.284 5.282 -0.001 392 2HG2 THR 42 2HG2 THR 42 -9.119 6.028 1.091 393 3HG2 THR 42 3HG2 THR 42 -8.748 4.482 0.328 394 H GLU 43 HN GLU 43 -9.859 9.562 -2.059 395 HA GLU 43 HA GLU 43 -10.267 10.573 0.430 396 1HB GLU 43 HB2 GLU 43 -11.835 12.274 -0.738 397 2HB GLU 43 HB1 GLU 43 -10.156 12.198 -1.235 398 1HG GLU 43 HG2 GLU 43 -10.998 10.595 -3.069 399 2HG GLU 43 HG1 GLU 43 -12.590 11.238 -2.676 400 H PHE 44 HN PHE 44 -12.950 9.655 -1.748 401 HA PHE 44 HA PHE 44 -14.734 9.580 0.549 402 1HB PHE 44 HB2 PHE 44 -15.038 9.937 -2.350 403 2HB PHE 44 HB1 PHE 44 -16.282 8.933 -1.613 404 HD1 PHE 44 HD1 PHE 44 -14.587 12.222 -1.275 405 HD2 PHE 44 HD2 PHE 44 -18.083 9.913 -0.533 406 HE1 PHE 44 HE1 PHE 44 -15.754 14.246 -0.506 407 HE2 PHE 44 HE2 PHE 44 -19.259 11.933 0.236 408 HZ PHE 44 HZ PHE 44 -18.094 14.103 0.251 409 H LYS 45 HN LYS 45 -13.042 7.424 -1.577 410 HA LYS 45 HA LYS 45 -14.665 5.173 -1.474 411 1HB LYS 45 HB2 LYS 45 -11.650 5.123 -1.400 412 2HB LYS 45 HB1 LYS 45 -12.723 3.893 -2.052 413 1HG LYS 45 HG2 LYS 45 -12.216 6.642 -3.164 414 2HG LYS 45 HG1 LYS 45 -11.749 5.094 -3.868 415 1HD LYS 45 HD2 LYS 45 -14.003 4.525 -4.339 416 2HD LYS 45 HD1 LYS 45 -14.615 5.853 -3.351 417 1HE LYS 45 HE2 LYS 45 -13.802 7.476 -4.913 418 2HE LYS 45 HE1 LYS 45 -12.952 6.236 -5.834 419 1HZ LYS 45 HZ1 LYS 45 -15.901 6.366 -5.509 420 2HZ LYS 45 HZ2 LYS 45 -15.042 5.284 -6.484 421 3HZ LYS 45 HZ3 LYS 45 -15.058 6.932 -6.862 422 H LYS 46 HN LYS 46 -11.959 5.968 0.716 423 HA LYS 46 HA LYS 46 -12.364 3.744 2.399 424 1HB LYS 46 HB2 LYS 46 -10.857 4.896 3.972 425 2HB LYS 46 HB1 LYS 46 -10.227 4.855 2.333 426 1HG LYS 46 HG2 LYS 46 -9.840 7.030 2.606 427 2HG LYS 46 HG1 LYS 46 -11.579 7.239 2.390 428 1HD LYS 46 HD2 LYS 46 -11.954 7.554 4.628 429 2HD LYS 46 HD1 LYS 46 -10.567 6.575 5.107 430 1HE LYS 46 HE2 LYS 46 -10.212 9.209 3.718 431 2HE LYS 46 HE1 LYS 46 -10.449 9.120 5.463 432 1HZ LYS 46 HZ1 LYS 46 -8.446 8.065 5.769 433 2HZ LYS 46 HZ2 LYS 46 -8.068 9.098 4.485 434 3HZ LYS 46 HZ3 LYS 46 -8.378 7.462 4.190 435 H ILE 47 HN ILE 47 -13.496 7.112 2.700 436 HA ILE 47 HA ILE 47 -14.551 6.762 5.294 437 HB ILE 47 HB ILE 47 -15.862 8.829 4.859 438 1HG1 ILE 47 2HG1 ILE 47 -14.836 9.930 2.604 439 2HG1 ILE 47 1HG1 ILE 47 -14.970 8.250 2.101 440 1HG2 ILE 47 1HG2 ILE 47 -13.458 8.724 5.641 441 2HG2 ILE 47 2HG2 ILE 47 -13.992 10.255 4.947 442 3HG2 ILE 47 3HG2 ILE 47 -13.007 9.148 3.990 443 1HD1 ILE 47 1HD1 ILE 47 -17.396 8.647 3.237 444 2HD1 ILE 47 2HD1 ILE 47 -17.045 8.844 1.519 445 3HD1 ILE 47 3HD1 ILE 47 -17.050 10.249 2.585 446 H LYS 48 HN LYS 48 -16.251 6.823 2.136 447 HA LYS 48 HA LYS 48 -18.802 6.333 3.080 448 1HB LYS 48 HB2 LYS 48 -19.360 5.549 0.881 449 2HB LYS 48 HB1 LYS 48 -18.195 6.854 0.712 450 1HG LYS 48 HG2 LYS 48 -16.414 5.089 0.503 451 2HG LYS 48 HG1 LYS 48 -17.719 3.905 0.395 452 1HD LYS 48 HD2 LYS 48 -17.988 6.225 -1.392 453 2HD LYS 48 HD1 LYS 48 -16.614 5.172 -1.736 454 1HE LYS 48 HE2 LYS 48 -19.137 3.771 -1.197 455 2HE LYS 48 HE1 LYS 48 -19.147 4.773 -2.647 456 1HZ LYS 48 HZ1 LYS 48 -17.716 2.317 -2.109 457 2HZ LYS 48 HZ2 LYS 48 -16.801 3.508 -2.888 458 3HZ LYS 48 HZ3 LYS 48 -18.245 2.963 -3.581 459 H VAL 49 HN VAL 49 -16.159 4.103 2.531 460 HA VAL 49 HA VAL 49 -17.721 1.745 3.032 461 HB VAL 49 HB VAL 49 -14.719 2.086 2.970 462 1HG1 VAL 49 1HG1 VAL 49 -15.310 0.058 4.123 463 2HG1 VAL 49 2HG1 VAL 49 -14.723 -0.358 2.514 464 3HG1 VAL 49 3HG1 VAL 49 -16.454 -0.381 2.855 465 1HG2 VAL 49 1HG2 VAL 49 -16.198 0.820 0.738 466 2HG2 VAL 49 2HG2 VAL 49 -14.736 1.806 0.717 467 3HG2 VAL 49 3HG2 VAL 49 -16.315 2.573 0.889 468 H LEU 50 HN LEU 50 -15.603 3.838 4.910 469 HA LEU 50 HA LEU 50 -15.536 2.087 7.186 470 1HB LEU 50 HB2 LEU 50 -14.728 4.968 6.817 471 2HB LEU 50 HB1 LEU 50 -14.519 4.088 8.319 472 HG LEU 50 HG LEU 50 -13.345 2.943 5.827 473 1HD1 LEU 50 1HD1 LEU 50 -12.806 5.464 6.080 474 2HD1 LEU 50 2HD1 LEU 50 -11.490 4.324 5.806 475 3HD1 LEU 50 3HD1 LEU 50 -11.800 4.939 7.428 476 1HD2 LEU 50 1HD2 LEU 50 -12.086 1.721 7.249 477 2HD2 LEU 50 2HD2 LEU 50 -13.400 2.081 8.368 478 3HD2 LEU 50 3HD2 LEU 50 -11.918 3.038 8.408 479 H GLY 51 HN GLY 51 -17.516 4.744 6.097 480 1HA GLY 51 HA2 GLY 51 -18.920 4.795 8.677 481 2HA GLY 51 HA1 GLY 51 -19.047 6.018 7.421 482 H SER 52 HN SER 52 -19.176 2.631 6.656 483 HA SER 52 HA SER 52 -21.680 2.896 5.351 484 1HB SER 52 HB2 SER 52 -20.067 1.274 4.552 485 2HB SER 52 HB1 SER 52 -20.083 0.436 6.103 486 HG SER 52 HG SER 52 -21.414 -0.528 4.433 487 H GLY 53 HN GLY 53 -20.686 1.728 8.510 488 1HA GLY 53 HA2 GLY 53 -22.011 1.590 10.421 489 2HA GLY 53 HA1 GLY 53 -23.432 1.880 9.428 Start of MODEL 11 1 1H ARG 1 HT1 ARG 1 22.404 -0.752 8.751 2 2H ARG 1 HT2 ARG 1 23.104 -1.992 7.795 3 3H ARG 1 HT3 ARG 1 23.637 -1.745 9.408 4 HA ARG 1 HA ARG 1 20.839 -2.358 8.849 5 1HB ARG 1 HB2 ARG 1 21.436 -4.762 9.134 6 2HB ARG 1 HB1 ARG 1 22.056 -4.058 7.647 7 1HG ARG 1 HG2 ARG 1 24.168 -3.648 9.249 8 2HG ARG 1 HG1 ARG 1 23.495 -5.096 10.000 9 1HD ARG 1 HD2 ARG 1 24.216 -6.390 8.336 10 2HD ARG 1 HD1 ARG 1 23.525 -5.320 7.118 11 HE ARG 1 HE ARG 1 25.591 -4.373 6.819 12 1HH1 ARG 1 1HH1 ARG 1 25.620 -6.266 9.751 13 2HH1 ARG 1 2HH1 ARG 1 27.332 -6.127 9.972 14 1HH2 ARG 1 1HH2 ARG 1 27.843 -4.189 7.108 15 2HH2 ARG 1 2HH2 ARG 1 28.593 -4.948 8.472 16 H ARG 2 HN ARG 2 19.921 -3.513 10.711 17 HA ARG 2 HA ARG 2 20.487 -2.231 13.133 18 1HB ARG 2 HB2 ARG 2 19.014 -4.031 14.134 19 2HB ARG 2 HB1 ARG 2 18.302 -3.100 12.823 20 1HG ARG 2 HG2 ARG 2 18.153 -4.881 11.461 21 2HG ARG 2 HG1 ARG 2 19.686 -5.563 12.008 22 1HD ARG 2 HD2 ARG 2 17.406 -5.553 13.912 23 2HD ARG 2 HD1 ARG 2 17.354 -6.698 12.571 24 HE ARG 2 HE ARG 2 18.936 -6.909 14.901 25 1HH1 ARG 2 1HH1 ARG 2 19.079 -7.460 11.459 26 2HH1 ARG 2 2HH1 ARG 2 20.260 -8.719 11.582 27 1HH2 ARG 2 1HH2 ARG 2 20.491 -8.566 15.066 28 2HH2 ARG 2 2HH2 ARG 2 21.062 -9.348 13.631 29 H ARG 3 HN ARG 3 21.910 -2.607 14.707 30 HA ARG 3 HA ARG 3 23.264 -5.222 14.777 31 1HB ARG 3 HB2 ARG 3 24.762 -3.537 13.811 32 2HB ARG 3 HB1 ARG 3 24.529 -2.511 15.220 33 1HG ARG 3 HG2 ARG 3 25.465 -4.443 16.585 34 2HG ARG 3 HG1 ARG 3 25.971 -5.135 15.043 35 1HD ARG 3 HD2 ARG 3 26.692 -2.326 15.324 36 2HD ARG 3 HD1 ARG 3 27.406 -3.346 16.572 37 HE ARG 3 HE ARG 3 28.054 -3.322 13.771 38 1HH1 ARG 3 1HH1 ARG 3 28.097 -5.213 16.704 39 2HH1 ARG 3 2HH1 ARG 3 29.392 -6.233 16.176 40 1HH2 ARG 3 1HH2 ARG 3 29.758 -4.664 13.074 41 2HH2 ARG 3 2HH2 ARG 3 30.336 -5.921 14.115 42 H HIS 4 HN HIS 4 23.021 -2.237 16.719 43 HA HIS 4 HA HIS 4 21.691 -3.437 18.883 44 1HB HIS 4 HB2 HIS 4 24.548 -3.875 18.806 45 2HB HIS 4 HB1 HIS 4 24.104 -2.941 20.230 46 HD1 HIS 4 HD1 HIS 4 25.035 -6.059 19.982 47 HD2 HIS 4 HD2 HIS 4 21.248 -4.569 20.820 48 HE1 HIS 4 HE1 HIS 4 23.841 -7.906 21.202 49 HE2 HIS 4 HE2 HIS 4 21.583 -6.948 21.780 50 H ILE 5 HN ILE 5 24.490 -1.252 18.994 51 HA ILE 5 HA ILE 5 22.821 0.788 20.226 52 HB ILE 5 HB ILE 5 25.779 0.927 19.656 53 1HG1 ILE 5 2HG1 ILE 5 25.309 -1.035 21.036 54 2HG1 ILE 5 1HG1 ILE 5 26.101 0.212 21.993 55 1HG2 ILE 5 1HG2 ILE 5 23.998 2.449 21.553 56 2HG2 ILE 5 2HG2 ILE 5 24.773 3.077 20.098 57 3HG2 ILE 5 3HG2 ILE 5 25.755 2.589 21.480 58 1HD1 ILE 5 1HD1 ILE 5 23.382 0.697 22.304 59 2HD1 ILE 5 2HD1 ILE 5 24.477 -0.036 23.475 60 3HD1 ILE 5 3HD1 ILE 5 23.549 -1.057 22.378 61 H VAL 6 HN VAL 6 24.597 0.214 17.255 62 HA VAL 6 HA VAL 6 24.493 2.834 16.220 63 HB VAL 6 HB VAL 6 24.497 0.281 14.608 64 1HG1 VAL 6 1HG1 VAL 6 24.226 2.797 13.696 65 2HG1 VAL 6 2HG1 VAL 6 25.046 1.518 12.800 66 3HG1 VAL 6 3HG1 VAL 6 25.985 2.675 13.743 67 1HG2 VAL 6 1HG2 VAL 6 27.069 1.583 15.064 68 2HG2 VAL 6 2HG2 VAL 6 26.631 -0.123 15.146 69 3HG2 VAL 6 3HG2 VAL 6 26.344 0.928 16.532 70 H ARG 7 HN ARG 7 22.841 3.982 15.469 71 HA ARG 7 HA ARG 7 20.555 2.625 14.260 72 1HB ARG 7 HB2 ARG 7 20.020 2.947 16.668 73 2HB ARG 7 HB1 ARG 7 20.241 4.679 16.457 74 1HG ARG 7 HG2 ARG 7 18.347 4.857 15.072 75 2HG ARG 7 HG1 ARG 7 18.249 3.109 14.852 76 1HD ARG 7 HD2 ARG 7 18.043 4.244 17.603 77 2HD ARG 7 HD1 ARG 7 16.650 4.352 16.526 78 HE ARG 7 HE ARG 7 17.731 1.713 16.629 79 1HH1 ARG 7 1HH1 ARG 7 15.679 3.969 18.324 80 2HH1 ARG 7 2HH1 ARG 7 14.760 2.732 19.113 81 1HH2 ARG 7 1HH2 ARG 7 16.523 0.085 17.666 82 2HH2 ARG 7 2HH2 ARG 7 15.239 0.527 18.740 83 H LYS 8 HN LYS 8 21.331 5.934 15.347 84 HA LYS 8 HA LYS 8 20.167 7.288 13.251 85 1HB LYS 8 HB2 LYS 8 21.845 9.123 13.769 86 2HB LYS 8 HB1 LYS 8 20.866 8.559 15.116 87 1HG LYS 8 HG2 LYS 8 22.814 8.468 16.203 88 2HG LYS 8 HG1 LYS 8 23.039 6.947 15.340 89 1HD LYS 8 HD2 LYS 8 24.134 8.301 13.504 90 2HD LYS 8 HD1 LYS 8 24.120 9.664 14.625 91 1HE LYS 8 HE2 LYS 8 25.272 7.981 16.248 92 2HE LYS 8 HE1 LYS 8 25.657 7.105 14.767 93 1HZ LYS 8 HZ1 LYS 8 26.414 9.540 14.071 94 2HZ LYS 8 HZ2 LYS 8 27.453 8.446 14.835 95 3HZ LYS 8 HZ3 LYS 8 26.682 9.649 15.739 96 H ARG 9 HN ARG 9 23.505 6.084 13.459 97 HA ARG 9 HA ARG 9 24.227 7.055 10.875 98 1HB ARG 9 HB2 ARG 9 25.596 6.058 13.073 99 2HB ARG 9 HB1 ARG 9 25.825 4.822 11.845 100 1HG ARG 9 HG2 ARG 9 26.226 7.469 10.760 101 2HG ARG 9 HG1 ARG 9 27.272 7.170 12.148 102 1HD ARG 9 HD2 ARG 9 28.200 5.229 11.130 103 2HD ARG 9 HD1 ARG 9 26.994 5.252 9.845 104 HE ARG 9 HE ARG 9 28.237 7.629 9.548 105 1HH1 ARG 9 1HH1 ARG 9 29.413 4.353 9.808 106 2HH1 ARG 9 2HH1 ARG 9 30.812 4.644 8.831 107 1HH2 ARG 9 1HH2 ARG 9 30.078 8.014 8.262 108 2HH2 ARG 9 2HH2 ARG 9 31.190 6.723 7.954 109 H THR 10 HN THR 10 22.498 4.333 11.975 110 HA THR 10 HA THR 10 23.117 2.691 9.678 111 HB THR 10 HB THR 10 21.051 2.308 11.834 112 HG1 THR 10 HG1 THR 10 22.673 1.722 13.003 113 1HG2 THR 10 1HG2 THR 10 20.346 0.551 10.716 114 2HG2 THR 10 2HG2 THR 10 21.972 -0.131 10.779 115 3HG2 THR 10 3HG2 THR 10 21.496 0.894 9.425 116 H LEU 11 HN LEU 11 20.843 5.125 10.515 117 HA LEU 11 HA LEU 11 18.617 4.403 8.998 118 1HB LEU 11 HB2 LEU 11 19.740 6.910 10.070 119 2HB LEU 11 HB1 LEU 11 18.664 7.107 8.700 120 HG LEU 11 HG LEU 11 16.896 5.902 9.917 121 1HD1 LEU 11 1HD1 LEU 11 18.904 5.866 12.164 122 2HD1 LEU 11 2HD1 LEU 11 18.250 4.468 11.310 123 3HD1 LEU 11 3HD1 LEU 11 17.196 5.455 12.323 124 1HD2 LEU 11 1HD2 LEU 11 17.697 7.942 11.887 125 2HD2 LEU 11 2HD2 LEU 11 16.202 7.774 10.965 126 3HD2 LEU 11 3HD2 LEU 11 17.630 8.477 10.207 127 H ARG 12 HN ARG 12 21.740 4.966 7.944 128 HA ARG 12 HA ARG 12 21.064 6.043 5.355 129 1HB ARG 12 HB2 ARG 12 23.461 5.651 6.968 130 2HB ARG 12 HB1 ARG 12 23.709 5.226 5.278 131 1HG ARG 12 HG2 ARG 12 22.412 7.597 5.033 132 2HG ARG 12 HG1 ARG 12 23.314 7.849 6.528 133 1HD ARG 12 HD2 ARG 12 25.259 8.006 5.443 134 2HD ARG 12 HD1 ARG 12 24.919 6.578 4.465 135 HE ARG 12 HE ARG 12 24.385 7.981 2.759 136 1HH1 ARG 12 1HH1 ARG 12 23.923 9.710 5.755 137 2HH1 ARG 12 2HH1 ARG 12 23.501 11.198 4.975 138 1HH2 ARG 12 1HH2 ARG 12 23.829 9.936 1.732 139 2HH2 ARG 12 2HH2 ARG 12 23.447 11.326 2.691 140 H ARG 13 HN ARG 13 21.126 2.989 6.786 141 HA ARG 13 HA ARG 13 22.078 1.480 4.556 142 1HB ARG 13 HB2 ARG 13 21.441 -0.463 5.796 143 2HB ARG 13 HB1 ARG 13 22.128 0.690 6.929 144 1HG ARG 13 HG2 ARG 13 20.322 0.091 8.137 145 2HG ARG 13 HG1 ARG 13 19.557 1.356 7.177 146 1HD ARG 13 HD2 ARG 13 18.181 -0.651 7.220 147 2HD ARG 13 HD1 ARG 13 18.770 -0.334 5.589 148 HE ARG 13 HE ARG 13 20.602 -2.054 6.646 149 1HH1 ARG 13 1HH1 ARG 13 17.138 -2.122 6.220 150 2HH1 ARG 13 2HH1 ARG 13 17.067 -3.845 6.055 151 1HH2 ARG 13 1HH2 ARG 13 20.510 -4.319 6.429 152 2HH2 ARG 13 2HH2 ARG 13 18.981 -5.092 6.175 153 H LEU 14 HN LEU 14 18.885 2.420 5.747 154 HA LEU 14 HA LEU 14 17.414 0.850 3.895 155 1HB LEU 14 HB2 LEU 14 16.731 3.219 5.610 156 2HB LEU 14 HB1 LEU 14 15.566 2.543 4.488 157 HG LEU 14 HG LEU 14 16.895 0.843 6.582 158 1HD1 LEU 14 1HD1 LEU 14 15.382 1.414 8.190 159 2HD1 LEU 14 2HD1 LEU 14 14.173 1.947 7.023 160 3HD1 LEU 14 3HD1 LEU 14 15.561 2.974 7.386 161 1HD2 LEU 14 1HD2 LEU 14 15.761 -0.280 4.715 162 2HD2 LEU 14 2HD2 LEU 14 14.278 0.590 5.105 163 3HD2 LEU 14 3HD2 LEU 14 14.949 -0.568 6.254 164 H LEU 15 HN LEU 15 18.163 4.330 3.980 165 HA LEU 15 HA LEU 15 16.985 5.017 1.549 166 1HB LEU 15 HB2 LEU 15 19.470 6.269 2.711 167 2HB LEU 15 HB1 LEU 15 18.321 7.018 1.620 168 HG LEU 15 HG LEU 15 17.447 6.077 4.329 169 1HD1 LEU 15 1HD1 LEU 15 18.730 8.723 3.674 170 2HD1 LEU 15 2HD1 LEU 15 19.367 7.483 4.754 171 3HD1 LEU 15 3HD1 LEU 15 17.886 8.343 5.175 172 1HD2 LEU 15 1HD2 LEU 15 16.027 6.998 2.245 173 2HD2 LEU 15 2HD2 LEU 15 16.413 8.523 3.044 174 3HD2 LEU 15 3HD2 LEU 15 15.563 7.255 3.927 175 H GLN 16 HN GLN 16 20.221 3.813 2.265 176 HA GLN 16 HA GLN 16 21.088 4.031 -0.476 177 1HB GLN 16 HB2 GLN 16 22.328 2.849 2.001 178 2HB GLN 16 HB1 GLN 16 23.100 2.769 0.423 179 1HG GLN 16 HG2 GLN 16 23.025 5.248 0.325 180 2HG GLN 16 HG1 GLN 16 22.401 5.250 1.974 181 1HE2 GLN 16 1HE2 GLN 16 24.924 6.268 0.735 182 2HE2 GLN 16 2HE2 GLN 16 26.190 5.589 1.696 183 H GLU 17 HN GLU 17 19.513 1.652 1.474 184 HA GLU 17 HA GLU 17 20.326 -0.647 0.009 185 1HB GLU 17 HB2 GLU 17 18.331 -0.028 2.102 186 2HB GLU 17 HB1 GLU 17 17.941 -1.394 1.065 187 1HG GLU 17 HG2 GLU 17 20.608 -1.150 2.410 188 2HG GLU 17 HG1 GLU 17 19.212 -1.857 3.224 189 H ARG 18 HN ARG 18 17.547 1.534 -0.187 190 HA ARG 18 HA ARG 18 15.936 0.236 -1.977 191 1HB ARG 18 HB2 ARG 18 16.535 3.192 -2.075 192 2HB ARG 18 HB1 ARG 18 15.057 2.390 -2.592 193 1HG ARG 18 HG2 ARG 18 15.314 1.626 0.046 194 2HG ARG 18 HG1 ARG 18 15.860 3.304 0.042 195 1HD ARG 18 HD2 ARG 18 13.500 3.287 0.445 196 2HD ARG 18 HD1 ARG 18 13.775 3.909 -1.182 197 HE ARG 18 HE ARG 18 12.665 2.092 -2.029 198 1HH1 ARG 18 1HH1 ARG 18 13.459 1.476 1.313 199 2HH1 ARG 18 2HH1 ARG 18 12.518 0.025 1.399 200 1HH2 ARG 18 1HH2 ARG 18 11.427 0.184 -1.918 201 2HH2 ARG 18 2HH2 ARG 18 11.365 -0.709 -0.436 202 H GLU 19 HN GLU 19 18.728 2.293 -2.743 203 HA GLU 19 HA GLU 19 19.544 0.833 -4.969 204 1HB GLU 19 HB2 GLU 19 18.872 2.453 -6.784 205 2HB GLU 19 HB1 GLU 19 17.569 1.469 -6.131 206 1HG GLU 19 HG2 GLU 19 16.843 3.341 -4.746 207 2HG GLU 19 HG1 GLU 19 18.157 4.326 -5.385 208 H LEU 20 HN LEU 20 19.322 3.976 -3.424 209 HA LEU 20 HA LEU 20 20.956 5.459 -2.838 210 1HB LEU 20 HB2 LEU 20 22.366 3.181 -2.958 211 2HB LEU 20 HB1 LEU 20 23.112 4.034 -4.295 212 HG LEU 20 HG LEU 20 22.858 5.398 -1.645 213 1HD1 LEU 20 1HD1 LEU 20 24.572 4.292 -0.662 214 2HD1 LEU 20 2HD1 LEU 20 25.349 3.901 -2.197 215 3HD1 LEU 20 3HD1 LEU 20 23.958 2.966 -1.649 216 1HD2 LEU 20 1HD2 LEU 20 25.242 6.086 -2.656 217 2HD2 LEU 20 2HD2 LEU 20 23.744 6.926 -3.057 218 3HD2 LEU 20 3HD2 LEU 20 24.390 5.704 -4.153 219 H VAL 21 HN VAL 21 19.393 5.974 -4.991 220 HA VAL 21 HA VAL 21 21.188 7.575 -6.644 221 HB VAL 21 HB VAL 21 19.046 5.862 -7.906 222 1HG1 VAL 21 1HG1 VAL 21 20.709 6.563 -9.900 223 2HG1 VAL 21 2HG1 VAL 21 20.877 7.972 -8.854 224 3HG1 VAL 21 3HG1 VAL 21 19.284 7.498 -9.446 225 1HG2 VAL 21 1HG2 VAL 21 21.162 4.751 -8.936 226 2HG2 VAL 21 2HG2 VAL 21 20.611 4.261 -7.334 227 3HG2 VAL 21 3HG2 VAL 21 21.967 5.377 -7.496 228 H GLU 22 HN GLU 22 17.747 6.670 -6.339 229 HA GLU 22 HA GLU 22 16.893 9.179 -5.426 230 1HB GLU 22 HB2 GLU 22 17.590 9.443 -8.011 231 2HB GLU 22 HB1 GLU 22 15.927 8.910 -8.218 232 1HG GLU 22 HG2 GLU 22 16.345 11.052 -6.244 233 2HG GLU 22 HG1 GLU 22 16.664 11.478 -7.925 234 HA PRO 23 HA PRO 23 13.913 5.510 -5.530 235 1HB PRO 23 HB2 PRO 23 13.921 4.978 -2.872 236 2HB PRO 23 HB1 PRO 23 15.069 4.243 -3.998 237 1HG PRO 23 HG2 PRO 23 15.447 6.580 -2.165 238 2HG PRO 23 HG1 PRO 23 16.545 5.227 -2.493 239 1HD PRO 23 HD2 PRO 23 16.847 7.661 -3.640 240 2HD PRO 23 HD1 PRO 23 17.305 6.155 -4.460 241 H LEU 24 HN LEU 24 14.289 8.403 -3.622 242 HA LEU 24 HA LEU 24 11.480 8.412 -2.846 243 1HB LEU 24 HB2 LEU 24 12.085 10.518 -1.661 244 2HB LEU 24 HB1 LEU 24 12.984 9.108 -1.134 245 HG LEU 24 HG LEU 24 14.291 10.703 -3.242 246 1HD1 LEU 24 1HD1 LEU 24 14.853 12.559 -1.969 247 2HD1 LEU 24 2HD1 LEU 24 14.352 11.800 -0.458 248 3HD1 LEU 24 3HD1 LEU 24 13.138 12.343 -1.617 249 1HD2 LEU 24 1HD2 LEU 24 14.998 9.080 -0.872 250 2HD2 LEU 24 2HD2 LEU 24 16.098 10.391 -1.300 251 3HD2 LEU 24 3HD2 LEU 24 15.729 9.130 -2.476 252 H THR 25 HN THR 25 10.427 8.703 -4.813 253 HA THR 25 HA THR 25 10.522 11.441 -5.824 254 HB THR 25 HB THR 25 11.883 10.523 -7.466 255 HG1 THR 25 HG1 THR 25 10.683 10.843 -9.169 256 1HG2 THR 25 1HG2 THR 25 11.760 8.182 -6.787 257 2HG2 THR 25 2HG2 THR 25 11.594 8.371 -8.532 258 3HG2 THR 25 3HG2 THR 25 10.171 8.052 -7.540 259 HA PRO 26 HA PRO 26 6.136 11.267 -5.799 260 1HB PRO 26 HB2 PRO 26 6.185 12.437 -8.531 261 2HB PRO 26 HB1 PRO 26 5.385 13.024 -7.069 262 1HG PRO 26 HG2 PRO 26 7.593 14.203 -7.985 263 2HG PRO 26 HG1 PRO 26 7.316 14.002 -6.244 264 1HD PRO 26 HD2 PRO 26 9.113 12.463 -8.070 265 2HD PRO 26 HD1 PRO 26 9.373 12.960 -6.385 266 H SER 27 HN SER 27 7.847 10.089 -8.622 267 HA SER 27 HA SER 27 5.575 8.341 -9.275 268 1HB SER 27 HB2 SER 27 6.850 9.942 -10.986 269 2HB SER 27 HB1 SER 27 7.929 8.552 -11.091 270 HG SER 27 HG SER 27 5.116 8.414 -11.427 271 H GLY 28 HN GLY 28 7.164 7.734 -7.039 272 1HA GLY 28 HA2 GLY 28 8.271 5.164 -7.928 273 2HA GLY 28 HA1 GLY 28 9.277 6.213 -6.941 274 H GLU 29 HN GLU 29 9.415 5.189 -5.036 275 HA GLU 29 HA GLU 29 6.927 4.218 -3.802 276 1HB GLU 29 HB2 GLU 29 9.752 3.317 -3.705 277 2HB GLU 29 HB1 GLU 29 8.831 3.178 -2.213 278 1HG GLU 29 HG2 GLU 29 7.059 2.032 -3.731 279 2HG GLU 29 HG1 GLU 29 8.422 1.802 -4.825 280 H ALA 30 HN ALA 30 7.746 7.005 -3.848 281 HA ALA 30 HA ALA 30 8.716 7.617 -1.195 282 1HB ALA 30 HB1 ALA 30 8.928 8.935 -3.524 283 2HB ALA 30 HB2 ALA 30 9.051 9.722 -1.952 284 3HB ALA 30 HB3 ALA 30 7.528 9.761 -2.840 285 HA PRO 31 HA PRO 31 4.864 7.715 0.964 286 1HB PRO 31 HB2 PRO 31 5.866 10.208 2.232 287 2HB PRO 31 HB1 PRO 31 5.311 8.708 2.982 288 1HG PRO 31 HG2 PRO 31 7.905 9.317 2.900 289 2HG PRO 31 HG1 PRO 31 7.348 7.647 2.681 290 1HD PRO 31 HD2 PRO 31 8.294 9.616 0.640 291 2HD PRO 31 HD1 PRO 31 8.566 7.864 0.731 292 H ASN 32 HN ASN 32 6.047 10.928 -0.032 293 HA ASN 32 HA ASN 32 3.776 12.406 -0.012 294 1HB ASN 32 HB2 ASN 32 5.994 13.257 -0.679 295 2HB ASN 32 HB1 ASN 32 5.833 12.438 -2.229 296 1HD2 ASN 32 1HD2 ASN 32 3.692 14.454 -0.237 297 2HD2 ASN 32 2HD2 ASN 32 3.295 15.570 -1.494 298 H GLN 33 HN GLN 33 4.817 10.446 -2.813 299 HA GLN 33 HA GLN 33 2.525 10.936 -4.357 300 1HB GLN 33 HB2 GLN 33 3.216 9.115 -5.748 301 2HB GLN 33 HB1 GLN 33 4.646 10.000 -5.236 302 1HG GLN 33 HG2 GLN 33 5.523 8.206 -4.263 303 2HG GLN 33 HG1 GLN 33 4.018 7.834 -3.424 304 1HE2 GLN 33 1HE2 GLN 33 4.180 5.640 -3.769 305 2HE2 GLN 33 2HE2 GLN 33 3.964 4.919 -5.325 306 H ALA 34 HN ALA 34 3.070 8.789 -1.699 307 HA ALA 34 HA ALA 34 0.926 6.997 -2.189 308 1HB ALA 34 HB1 ALA 34 1.570 7.528 0.626 309 2HB ALA 34 HB2 ALA 34 2.962 7.098 -0.368 310 3HB ALA 34 HB3 ALA 34 1.578 6.009 -0.271 311 H LEU 35 HN LEU 35 1.252 9.705 0.089 312 HA LEU 35 HA LEU 35 -1.500 9.874 0.704 313 1HB LEU 35 HB2 LEU 35 0.416 12.195 0.781 314 2HB LEU 35 HB1 LEU 35 -0.994 11.925 1.787 315 HG LEU 35 HG LEU 35 1.050 9.837 2.037 316 1HD1 LEU 35 1HD1 LEU 35 2.169 12.255 1.739 317 2HD1 LEU 35 2HD1 LEU 35 2.808 11.017 2.820 318 3HD1 LEU 35 3HD1 LEU 35 1.795 12.311 3.463 319 1HD2 LEU 35 1HD2 LEU 35 -1.040 10.244 3.443 320 2HD2 LEU 35 2HD2 LEU 35 -0.144 11.575 4.174 321 3HD2 LEU 35 3HD2 LEU 35 0.465 9.925 4.305 322 H LEU 36 HN LEU 36 0.518 11.202 -1.809 323 HA LEU 36 HA LEU 36 -1.119 13.206 -2.800 324 1HB LEU 36 HB2 LEU 36 1.149 12.980 -3.549 325 2HB LEU 36 HB1 LEU 36 0.812 11.415 -4.255 326 HG LEU 36 HG LEU 36 -0.939 13.424 -5.370 327 1HD1 LEU 36 1HD1 LEU 36 0.912 14.566 -6.664 328 2HD1 LEU 36 2HD1 LEU 36 2.017 13.960 -5.430 329 3HD1 LEU 36 3HD1 LEU 36 0.713 15.060 -4.982 330 1HD2 LEU 36 1HD2 LEU 36 1.054 11.429 -6.377 331 2HD2 LEU 36 2HD2 LEU 36 0.298 12.587 -7.470 332 3HD2 LEU 36 3HD2 LEU 36 -0.698 11.445 -6.567 333 H ARG 37 HN ARG 37 -1.133 9.718 -3.633 334 HA ARG 37 HA ARG 37 -3.570 10.242 -5.180 335 1HB ARG 37 HB2 ARG 37 -1.624 9.093 -6.280 336 2HB ARG 37 HB1 ARG 37 -1.889 7.737 -5.192 337 1HG ARG 37 HG2 ARG 37 -4.008 7.270 -6.144 338 2HG ARG 37 HG1 ARG 37 -4.012 8.790 -7.042 339 1HD ARG 37 HD2 ARG 37 -1.682 7.144 -7.619 340 2HD ARG 37 HD1 ARG 37 -3.199 6.331 -7.995 341 HE ARG 37 HE ARG 37 -2.014 8.435 -9.459 342 1HH1 ARG 37 1HH1 ARG 37 -5.125 7.282 -8.379 343 2HH1 ARG 37 2HH1 ARG 37 -5.989 8.008 -9.692 344 1HH2 ARG 37 1HH2 ARG 37 -3.150 9.391 -11.188 345 2HH2 ARG 37 2HH2 ARG 37 -4.868 9.205 -11.287 346 H ILE 38 HN ILE 38 -2.655 8.997 -2.141 347 HA ILE 38 HA ILE 38 -4.686 6.972 -2.004 348 HB ILE 38 HB ILE 38 -2.969 8.273 0.098 349 1HG1 ILE 38 2HG1 ILE 38 -2.169 6.534 -1.675 350 2HG1 ILE 38 1HG1 ILE 38 -1.679 6.350 0.005 351 1HG2 ILE 38 1HG2 ILE 38 -4.921 7.776 1.310 352 2HG2 ILE 38 2HG2 ILE 38 -3.848 6.404 1.590 353 3HG2 ILE 38 3HG2 ILE 38 -5.177 6.264 0.439 354 1HD1 ILE 38 1HD1 ILE 38 -2.782 4.415 0.232 355 2HD1 ILE 38 2HD1 ILE 38 -2.735 4.386 -1.532 356 3HD1 ILE 38 3HD1 ILE 38 -4.171 4.979 -0.697 357 H LEU 39 HN LEU 39 -4.366 10.218 -0.575 358 HA LEU 39 HA LEU 39 -7.019 10.180 0.496 359 1HB LEU 39 HB2 LEU 39 -4.754 12.018 0.458 360 2HB LEU 39 HB1 LEU 39 -6.297 12.843 0.331 361 HG LEU 39 HG LEU 39 -6.990 11.460 2.388 362 1HD1 LEU 39 1HD1 LEU 39 -5.383 9.842 2.680 363 2HD1 LEU 39 2HD1 LEU 39 -4.842 11.079 3.815 364 3HD1 LEU 39 3HD1 LEU 39 -4.060 10.925 2.243 365 1HD2 LEU 39 1HD2 LEU 39 -5.518 13.075 3.850 366 2HD2 LEU 39 2HD2 LEU 39 -6.813 13.698 2.828 367 3HD2 LEU 39 3HD2 LEU 39 -5.138 13.786 2.282 368 H LYS 40 HN LYS 40 -5.762 10.679 -2.581 369 HA LYS 40 HA LYS 40 -8.002 12.351 -3.456 370 1HB LYS 40 HB2 LYS 40 -5.417 11.526 -4.758 371 2HB LYS 40 HB1 LYS 40 -6.703 12.320 -5.658 372 1HG LYS 40 HG2 LYS 40 -4.934 13.853 -4.871 373 2HG LYS 40 HG1 LYS 40 -6.546 14.273 -4.294 374 1HD LYS 40 HD2 LYS 40 -5.825 14.191 -2.185 375 2HD LYS 40 HD1 LYS 40 -5.339 12.512 -2.402 376 1HE LYS 40 HE2 LYS 40 -3.217 13.057 -2.355 377 2HE LYS 40 HE1 LYS 40 -3.439 14.206 -3.673 378 1HZ LYS 40 HZ1 LYS 40 -3.399 14.677 -0.785 379 2HZ LYS 40 HZ2 LYS 40 -4.409 15.656 -1.722 380 3HZ LYS 40 HZ3 LYS 40 -2.748 15.610 -2.038 381 H GLU 41 HN GLU 41 -6.604 9.171 -3.983 382 HA GLU 41 HA GLU 41 -8.683 8.500 -5.909 383 1HB GLU 41 HB2 GLU 41 -7.382 6.631 -6.456 384 2HB GLU 41 HB1 GLU 41 -6.191 7.870 -6.067 385 1HG GLU 41 HG2 GLU 41 -5.291 6.231 -4.839 386 2HG GLU 41 HG1 GLU 41 -6.476 6.771 -3.650 387 H THR 42 HN THR 42 -8.084 8.246 -2.595 388 HA THR 42 HA THR 42 -10.302 6.349 -2.301 389 HB THR 42 HB THR 42 -7.824 6.691 -0.611 390 HG1 THR 42 HG1 THR 42 -7.207 5.184 -1.920 391 1HG2 THR 42 1HG2 THR 42 -9.044 4.477 0.376 392 2HG2 THR 42 2HG2 THR 42 -10.411 5.559 0.116 393 3HG2 THR 42 3HG2 THR 42 -9.064 6.069 1.133 394 H GLU 43 HN GLU 43 -9.747 9.418 -2.349 395 HA GLU 43 HA GLU 43 -10.219 10.651 0.020 396 1HB GLU 43 HB2 GLU 43 -11.013 12.506 -1.208 397 2HB GLU 43 HB1 GLU 43 -9.893 11.676 -2.275 398 1HG GLU 43 HG2 GLU 43 -11.805 10.620 -3.411 399 2HG GLU 43 HG1 GLU 43 -12.891 11.575 -2.401 400 H PHE 44 HN PHE 44 -12.806 9.502 -2.190 401 HA PHE 44 HA PHE 44 -14.717 9.808 -0.018 402 1HB PHE 44 HB2 PHE 44 -14.844 9.798 -2.937 403 2HB PHE 44 HB1 PHE 44 -16.116 8.835 -2.190 404 HD1 PHE 44 HD1 PHE 44 -14.765 12.186 -2.669 405 HD2 PHE 44 HD2 PHE 44 -17.796 9.874 -0.777 406 HE1 PHE 44 HE1 PHE 44 -16.042 14.240 -2.214 407 HE2 PHE 44 HE2 PHE 44 -19.079 11.923 -0.319 408 HZ PHE 44 HZ PHE 44 -18.203 14.110 -1.038 409 H LYS 45 HN LYS 45 -12.964 7.361 -1.728 410 HA LYS 45 HA LYS 45 -14.636 5.159 -1.344 411 1HB LYS 45 HB2 LYS 45 -11.618 5.245 -1.361 412 2HB LYS 45 HB1 LYS 45 -12.590 3.791 -1.541 413 1HG LYS 45 HG2 LYS 45 -13.654 5.121 -3.530 414 2HG LYS 45 HG1 LYS 45 -12.139 6.023 -3.456 415 1HD LYS 45 HD2 LYS 45 -12.239 3.019 -3.588 416 2HD LYS 45 HD1 LYS 45 -12.191 4.036 -5.030 417 1HE LYS 45 HE2 LYS 45 -9.994 4.302 -4.833 418 2HE LYS 45 HE1 LYS 45 -10.167 4.870 -3.175 419 1HZ LYS 45 HZ1 LYS 45 -9.842 2.076 -4.105 420 2HZ LYS 45 HZ2 LYS 45 -10.320 2.465 -2.530 421 3HZ LYS 45 HZ3 LYS 45 -8.808 2.963 -3.101 422 H LYS 46 HN LYS 46 -12.019 6.340 0.777 423 HA LYS 46 HA LYS 46 -12.438 4.356 2.750 424 1HB LYS 46 HB2 LYS 46 -11.028 5.857 4.194 425 2HB LYS 46 HB1 LYS 46 -10.301 5.377 2.668 426 1HG LYS 46 HG2 LYS 46 -10.003 7.491 2.099 427 2HG LYS 46 HG1 LYS 46 -11.722 7.828 2.297 428 1HD LYS 46 HD2 LYS 46 -11.147 9.145 4.005 429 2HD LYS 46 HD1 LYS 46 -10.759 7.671 4.895 430 1HE LYS 46 HE2 LYS 46 -8.491 7.955 3.495 431 2HE LYS 46 HE1 LYS 46 -8.973 9.648 3.608 432 1HZ LYS 46 HZ1 LYS 46 -8.722 7.819 5.934 433 2HZ LYS 46 HZ2 LYS 46 -9.022 9.483 5.982 434 3HZ LYS 46 HZ3 LYS 46 -7.525 8.911 5.443 435 H ILE 47 HN ILE 47 -13.577 7.717 2.502 436 HA ILE 47 HA ILE 47 -14.746 7.749 5.077 437 HB ILE 47 HB ILE 47 -16.006 9.743 4.304 438 1HG1 ILE 47 2HG1 ILE 47 -14.889 10.512 1.959 439 2HG1 ILE 47 1HG1 ILE 47 -15.015 8.777 1.691 440 1HG2 ILE 47 1HG2 ILE 47 -13.859 10.055 5.289 441 2HG2 ILE 47 2HG2 ILE 47 -13.971 11.131 3.897 442 3HG2 ILE 47 3HG2 ILE 47 -13.046 9.635 3.782 443 1HD1 ILE 47 1HD1 ILE 47 -17.083 9.212 1.002 444 2HD1 ILE 47 2HD1 ILE 47 -17.078 10.821 1.724 445 3HD1 ILE 47 3HD1 ILE 47 -17.480 9.414 2.708 446 H LYS 48 HN LYS 48 -16.298 7.363 1.865 447 HA LYS 48 HA LYS 48 -18.900 7.051 2.726 448 1HB LYS 48 HB2 LYS 48 -19.315 5.825 0.662 449 2HB LYS 48 HB1 LYS 48 -18.245 7.187 0.357 450 1HG LYS 48 HG2 LYS 48 -17.066 5.657 -0.786 451 2HG LYS 48 HG1 LYS 48 -16.428 5.256 0.809 452 1HD LYS 48 HD2 LYS 48 -17.072 3.211 -0.229 453 2HD LYS 48 HD1 LYS 48 -18.271 3.566 1.017 454 1HE LYS 48 HE2 LYS 48 -19.929 3.890 -0.483 455 2HE LYS 48 HE1 LYS 48 -18.855 4.638 -1.665 456 1HZ LYS 48 HZ1 LYS 48 -19.070 1.726 -1.111 457 2HZ LYS 48 HZ2 LYS 48 -18.020 2.435 -2.232 458 3HZ LYS 48 HZ3 LYS 48 -19.692 2.527 -2.466 459 H VAL 49 HN VAL 49 -16.275 4.747 2.734 460 HA VAL 49 HA VAL 49 -17.929 2.533 3.558 461 HB VAL 49 HB VAL 49 -14.945 2.845 3.262 462 1HG1 VAL 49 1HG1 VAL 49 -14.847 1.195 4.813 463 2HG1 VAL 49 2HG1 VAL 49 -15.255 0.182 3.428 464 3HG1 VAL 49 3HG1 VAL 49 -16.517 0.696 4.547 465 1HG2 VAL 49 1HG2 VAL 49 -15.488 2.481 1.123 466 2HG2 VAL 49 2HG2 VAL 49 -17.133 2.001 1.534 467 3HG2 VAL 49 3HG2 VAL 49 -15.825 0.821 1.611 468 H LEU 50 HN LEU 50 -15.841 4.900 5.088 469 HA LEU 50 HA LEU 50 -15.800 3.530 7.620 470 1HB LEU 50 HB2 LEU 50 -14.945 6.294 6.777 471 2HB LEU 50 HB1 LEU 50 -14.807 5.709 8.426 472 HG LEU 50 HG LEU 50 -13.572 4.101 6.237 473 1HD1 LEU 50 1HD1 LEU 50 -12.980 6.607 6.027 474 2HD1 LEU 50 2HD1 LEU 50 -11.674 5.423 6.051 475 3HD1 LEU 50 3HD1 LEU 50 -12.052 6.349 7.504 476 1HD2 LEU 50 1HD2 LEU 50 -12.298 3.208 7.909 477 2HD2 LEU 50 2HD2 LEU 50 -13.738 3.633 8.832 478 3HD2 LEU 50 3HD2 LEU 50 -12.324 4.685 8.873 479 H GLY 51 HN GLY 51 -17.745 5.973 6.076 480 1HA GLY 51 HA2 GLY 51 -19.210 6.435 8.583 481 2HA GLY 51 HA1 GLY 51 -19.303 7.442 7.146 482 H SER 52 HN SER 52 -19.388 3.995 6.864 483 HA SER 52 HA SER 52 -21.905 4.058 5.538 484 1HB SER 52 HB2 SER 52 -19.819 2.369 5.411 485 2HB SER 52 HB1 SER 52 -20.846 1.463 6.523 486 HG SER 52 HG SER 52 -21.468 0.833 4.522 487 H GLY 53 HN GLY 53 -20.814 2.923 8.717 488 1HA GLY 53 HA2 GLY 53 -23.437 2.017 9.484 489 2HA GLY 53 HA1 GLY 53 -22.023 2.120 10.521 Start of MODEL 12 1 1H ARG 1 HT1 ARG 1 9.965 -0.267 18.164 2 2H ARG 1 HT2 ARG 1 10.194 0.185 19.804 3 3H ARG 1 HT3 ARG 1 9.058 -1.036 19.398 4 HA ARG 1 HA ARG 1 10.863 -2.165 20.207 5 1HB ARG 1 HB2 ARG 1 9.918 -2.549 17.709 6 2HB ARG 1 HB1 ARG 1 11.617 -2.281 17.340 7 1HG ARG 1 HG2 ARG 1 11.664 -4.059 19.463 8 2HG ARG 1 HG1 ARG 1 10.308 -4.599 18.472 9 1HD ARG 1 HD2 ARG 1 11.647 -5.033 16.641 10 2HD ARG 1 HD1 ARG 1 12.905 -3.917 17.168 11 HE ARG 1 HE ARG 1 12.620 -6.118 18.955 12 1HH1 ARG 1 1HH1 ARG 1 13.999 -5.166 15.894 13 2HH1 ARG 1 2HH1 ARG 1 15.253 -6.358 15.945 14 1HH2 ARG 1 1HH2 ARG 1 14.269 -7.689 19.025 15 2HH2 ARG 1 2HH2 ARG 1 15.406 -7.792 17.723 16 H ARG 2 HN ARG 2 13.273 -2.785 19.185 17 HA ARG 2 HA ARG 2 14.913 -0.649 20.100 18 1HB ARG 2 HB2 ARG 2 15.366 -3.398 19.047 19 2HB ARG 2 HB1 ARG 2 16.724 -2.281 19.020 20 1HG ARG 2 HG2 ARG 2 15.313 -2.306 21.569 21 2HG ARG 2 HG1 ARG 2 15.992 -3.873 21.127 22 1HD ARG 2 HD2 ARG 2 18.108 -3.170 21.404 23 2HD ARG 2 HD1 ARG 2 17.786 -1.601 20.666 24 HE ARG 2 HE ARG 2 17.730 -2.246 23.468 25 1HH1 ARG 2 1HH1 ARG 2 16.566 -0.057 21.011 26 2HH1 ARG 2 2HH1 ARG 2 16.286 1.240 22.124 27 1HH2 ARG 2 1HH2 ARG 2 17.367 -0.540 24.931 28 2HH2 ARG 2 2HH2 ARG 2 16.741 0.967 24.348 29 H ARG 3 HN ARG 3 16.417 0.596 18.958 30 HA ARG 3 HA ARG 3 16.067 0.654 16.035 31 1HB ARG 3 HB2 ARG 3 16.455 3.133 17.702 32 2HB ARG 3 HB1 ARG 3 15.982 3.026 16.012 33 1HG ARG 3 HG2 ARG 3 13.845 3.023 16.574 34 2HG ARG 3 HG1 ARG 3 14.082 1.605 17.596 35 1HD ARG 3 HD2 ARG 3 14.397 2.866 19.502 36 2HD ARG 3 HD1 ARG 3 14.903 4.293 18.599 37 HE ARG 3 HE ARG 3 12.161 3.558 18.152 38 1HH1 ARG 3 1HH1 ARG 3 14.345 5.337 20.213 39 2HH1 ARG 3 2HH1 ARG 3 13.122 6.420 20.786 40 1HH2 ARG 3 1HH2 ARG 3 10.550 4.982 18.905 41 2HH2 ARG 3 2HH2 ARG 3 10.967 6.219 20.043 42 H HIS 4 HN HIS 4 17.857 2.348 15.178 43 HA HIS 4 HA HIS 4 20.409 1.396 16.301 44 1HB HIS 4 HB2 HIS 4 19.886 2.313 13.468 45 2HB HIS 4 HB1 HIS 4 21.360 1.574 14.084 46 HD1 HIS 4 HD1 HIS 4 20.830 -0.975 15.145 47 HD2 HIS 4 HD2 HIS 4 18.306 0.529 12.208 48 HE1 HIS 4 HE1 HIS 4 19.655 -2.978 14.178 49 HE2 HIS 4 HE2 HIS 4 18.201 -2.051 12.342 50 H ILE 5 HN ILE 5 18.997 3.703 17.269 51 HA ILE 5 HA ILE 5 21.087 5.692 16.824 52 HB ILE 5 HB ILE 5 19.313 7.502 16.734 53 1HG1 ILE 5 2HG1 ILE 5 17.413 5.620 15.497 54 2HG1 ILE 5 1HG1 ILE 5 17.571 5.460 17.244 55 1HG2 ILE 5 1HG2 ILE 5 18.978 7.243 14.304 56 2HG2 ILE 5 2HG2 ILE 5 19.571 5.586 14.422 57 3HG2 ILE 5 3HG2 ILE 5 20.642 6.936 14.800 58 1HD1 ILE 5 1HD1 ILE 5 15.857 6.971 17.051 59 2HD1 ILE 5 2HD1 ILE 5 16.562 7.753 15.635 60 3HD1 ILE 5 3HD1 ILE 5 17.251 8.038 17.234 61 H VAL 6 HN VAL 6 21.872 5.852 18.832 62 HA VAL 6 HA VAL 6 19.962 6.369 21.014 63 HB VAL 6 HB VAL 6 20.951 4.118 21.238 64 1HG1 VAL 6 1HG1 VAL 6 23.113 4.718 20.118 65 2HG1 VAL 6 2HG1 VAL 6 23.278 3.770 21.596 66 3HG1 VAL 6 3HG1 VAL 6 23.596 5.505 21.621 67 1HG2 VAL 6 1HG2 VAL 6 20.552 4.563 23.382 68 2HG2 VAL 6 2HG2 VAL 6 21.063 6.241 23.200 69 3HG2 VAL 6 3HG2 VAL 6 22.256 4.986 23.534 70 H ARG 7 HN ARG 7 21.089 8.392 19.465 71 HA ARG 7 HA ARG 7 22.369 9.950 21.501 72 1HB ARG 7 HB2 ARG 7 23.938 8.948 19.148 73 2HB ARG 7 HB1 ARG 7 24.321 10.504 19.872 74 1HG ARG 7 HG2 ARG 7 24.437 9.203 22.089 75 2HG ARG 7 HG1 ARG 7 24.537 7.769 21.065 76 1HD ARG 7 HD2 ARG 7 26.550 8.491 20.078 77 2HD ARG 7 HD1 ARG 7 26.358 10.130 20.697 78 HE ARG 7 HE ARG 7 27.540 7.917 22.048 79 1HH1 ARG 7 1HH1 ARG 7 25.704 10.841 22.552 80 2HH1 ARG 7 2HH1 ARG 7 26.272 11.068 24.173 81 1HH2 ARG 7 1HH2 ARG 7 28.289 8.213 24.179 82 2HH2 ARG 7 2HH2 ARG 7 27.740 9.576 25.096 83 H LYS 8 HN LYS 8 21.760 12.008 21.281 84 HA LYS 8 HA LYS 8 19.999 12.834 19.270 85 1HB LYS 8 HB2 LYS 8 21.202 13.972 21.630 86 2HB LYS 8 HB1 LYS 8 21.185 15.158 20.333 87 1HG LYS 8 HG2 LYS 8 19.116 15.602 21.038 88 2HG LYS 8 HG1 LYS 8 18.667 14.133 20.170 89 1HD LYS 8 HD2 LYS 8 19.665 13.779 22.931 90 2HD LYS 8 HD1 LYS 8 18.089 14.555 22.759 91 1HE LYS 8 HE2 LYS 8 18.538 12.139 21.124 92 2HE LYS 8 HE1 LYS 8 18.441 11.888 22.866 93 1HZ LYS 8 HZ1 LYS 8 16.372 12.657 20.991 94 2HZ LYS 8 HZ2 LYS 8 16.354 13.501 22.458 95 3HZ LYS 8 HZ3 LYS 8 16.251 11.813 22.453 96 H ARG 9 HN ARG 9 23.480 12.992 19.482 97 HA ARG 9 HA ARG 9 23.994 14.939 17.550 98 1HB ARG 9 HB2 ARG 9 25.707 12.497 17.946 99 2HB ARG 9 HB1 ARG 9 26.212 14.113 17.476 100 1HG ARG 9 HG2 ARG 9 26.731 14.450 19.604 101 2HG ARG 9 HG1 ARG 9 24.998 14.483 19.936 102 1HD ARG 9 HD2 ARG 9 24.968 12.228 20.580 103 2HD ARG 9 HD1 ARG 9 26.539 11.909 19.848 104 HE ARG 9 HE ARG 9 26.037 12.909 22.476 105 1HH1 ARG 9 1HH1 ARG 9 28.322 12.959 19.839 106 2HH1 ARG 9 2HH1 ARG 9 29.678 13.314 20.855 107 1HH2 ARG 9 1HH2 ARG 9 27.819 13.377 23.815 108 2HH2 ARG 9 2HH2 ARG 9 29.393 13.551 23.114 109 H THR 10 HN THR 10 22.707 11.792 17.173 110 HA THR 10 HA THR 10 23.583 11.445 14.459 111 HB THR 10 HB THR 10 21.421 9.988 15.973 112 HG1 THR 10 HG1 THR 10 23.250 9.524 17.039 113 1HG2 THR 10 1HG2 THR 10 21.058 8.799 14.157 114 2HG2 THR 10 2HG2 THR 10 22.773 8.406 14.040 115 3HG2 THR 10 3HG2 THR 10 22.146 9.862 13.266 116 H LEU 11 HN LEU 11 21.001 13.085 16.027 117 HA LEU 11 HA LEU 11 18.940 12.963 14.195 118 1HB LEU 11 HB2 LEU 11 19.901 15.051 16.091 119 2HB LEU 11 HB1 LEU 11 18.684 15.506 14.913 120 HG LEU 11 HG LEU 11 17.139 13.874 15.776 121 1HD1 LEU 11 1HD1 LEU 11 19.513 12.931 17.335 122 2HD1 LEU 11 2HD1 LEU 11 18.382 12.003 16.350 123 3HD1 LEU 11 3HD1 LEU 11 17.875 12.633 17.916 124 1HD2 LEU 11 1HD2 LEU 11 16.752 15.701 17.054 125 2HD2 LEU 11 2HD2 LEU 11 18.422 15.804 17.610 126 3HD2 LEU 11 3HD2 LEU 11 17.323 14.630 18.332 127 H ARG 12 HN ARG 12 22.053 14.351 13.839 128 HA ARG 12 HA ARG 12 21.487 16.225 11.794 129 1HB ARG 12 HB2 ARG 12 23.822 15.147 13.148 130 2HB ARG 12 HB1 ARG 12 24.119 15.396 11.432 131 1HG ARG 12 HG2 ARG 12 22.929 17.730 12.042 132 2HG ARG 12 HG1 ARG 12 23.697 17.355 13.586 133 1HD ARG 12 HD2 ARG 12 25.655 16.779 11.722 134 2HD ARG 12 HD1 ARG 12 24.880 18.224 11.077 135 HE ARG 12 HE ARG 12 25.280 18.857 13.670 136 1HH1 ARG 12 1HH1 ARG 12 27.382 17.618 11.176 137 2HH1 ARG 12 2HH1 ARG 12 28.799 18.376 11.819 138 1HH2 ARG 12 1HH2 ARG 12 27.145 19.855 14.518 139 2HH2 ARG 12 2HH2 ARG 12 28.666 19.645 13.715 140 H ARG 13 HN ARG 13 21.616 12.820 11.826 141 HA ARG 13 HA ARG 13 22.470 12.425 9.129 142 1HB ARG 13 HB2 ARG 13 21.258 10.704 11.252 143 2HB ARG 13 HB1 ARG 13 21.268 10.128 9.591 144 1HG ARG 13 HG2 ARG 13 23.841 11.165 10.528 145 2HG ARG 13 HG1 ARG 13 23.263 9.736 11.387 146 1HD ARG 13 HD2 ARG 13 23.541 8.394 9.600 147 2HD ARG 13 HD1 ARG 13 22.991 9.625 8.463 148 HE ARG 13 HE ARG 13 25.170 10.160 8.076 149 1HH1 ARG 13 1HH1 ARG 13 24.983 8.483 11.130 150 2HH1 ARG 13 2HH1 ARG 13 26.701 8.426 11.345 151 1HH2 ARG 13 1HH2 ARG 13 27.429 10.086 8.359 152 2HH2 ARG 13 2HH2 ARG 13 28.090 9.336 9.773 153 H LEU 14 HN LEU 14 19.378 12.718 10.759 154 HA LEU 14 HA LEU 14 17.767 12.035 8.527 155 1HB LEU 14 HB2 LEU 14 17.355 13.139 11.216 156 2HB LEU 14 HB1 LEU 14 16.174 13.669 10.034 157 HG LEU 14 HG LEU 14 16.248 10.968 9.576 158 1HD1 LEU 14 1HD1 LEU 14 15.929 10.049 11.937 159 2HD1 LEU 14 2HD1 LEU 14 16.799 11.484 12.478 160 3HD1 LEU 14 3HD1 LEU 14 17.580 10.338 11.390 161 1HD2 LEU 14 1HD2 LEU 14 14.379 11.922 11.665 162 2HD2 LEU 14 2HD2 LEU 14 14.059 11.047 10.167 163 3HD2 LEU 14 3HD2 LEU 14 14.372 12.782 10.125 164 H LEU 15 HN LEU 15 18.737 15.169 9.893 165 HA LEU 15 HA LEU 15 17.415 16.658 7.857 166 1HB LEU 15 HB2 LEU 15 18.653 18.603 8.853 167 2HB LEU 15 HB1 LEU 15 17.598 17.718 9.937 168 HG LEU 15 HG LEU 15 20.045 16.485 10.313 169 1HD1 LEU 15 1HD1 LEU 15 20.788 18.663 8.957 170 2HD1 LEU 15 2HD1 LEU 15 21.762 17.955 10.246 171 3HD1 LEU 15 3HD1 LEU 15 20.731 19.345 10.582 172 1HD2 LEU 15 1HD2 LEU 15 20.052 17.957 12.422 173 2HD2 LEU 15 2HD2 LEU 15 18.679 16.882 12.156 174 3HD2 LEU 15 3HD2 LEU 15 18.533 18.603 11.799 175 H GLN 16 HN GLN 16 20.943 16.415 8.569 176 HA GLN 16 HA GLN 16 21.534 17.588 6.014 177 1HB GLN 16 HB2 GLN 16 22.949 17.047 8.490 178 2HB GLN 16 HB1 GLN 16 23.931 16.692 7.076 179 1HG GLN 16 HG2 GLN 16 23.153 19.024 6.261 180 2HG GLN 16 HG1 GLN 16 22.757 19.291 7.958 181 1HE2 GLN 16 1HE2 GLN 16 24.318 19.971 9.255 182 2HE2 GLN 16 2HE2 GLN 16 26.006 19.966 8.890 183 H GLU 17 HN GLU 17 21.725 14.316 7.361 184 HA GLU 17 HA GLU 17 23.081 13.396 4.954 185 1HB GLU 17 HB2 GLU 17 22.192 11.795 7.354 186 2HB GLU 17 HB1 GLU 17 23.202 11.216 6.040 187 1HG GLU 17 HG2 GLU 17 24.035 13.585 7.658 188 2HG GLU 17 HG1 GLU 17 24.303 11.948 8.253 189 H ARG 18 HN ARG 18 20.142 14.325 5.166 190 HA ARG 18 HA ARG 18 18.446 12.159 4.689 191 1HB ARG 18 HB2 ARG 18 16.919 13.759 3.694 192 2HB ARG 18 HB1 ARG 18 17.669 14.467 5.116 193 1HG ARG 18 HG2 ARG 18 19.183 15.744 3.721 194 2HG ARG 18 HG1 ARG 18 18.510 14.991 2.273 195 1HD ARG 18 HD2 ARG 18 17.646 17.300 2.820 196 2HD ARG 18 HD1 ARG 18 16.421 16.056 2.575 197 HE ARG 18 HE ARG 18 17.183 16.403 5.325 198 1HH1 ARG 18 1HH1 ARG 18 15.077 17.521 2.777 199 2HH1 ARG 18 2HH1 ARG 18 13.885 18.146 3.866 200 1HH2 ARG 18 1HH2 ARG 18 15.615 17.224 6.759 201 2HH2 ARG 18 2HH2 ARG 18 14.190 17.977 6.127 202 H GLU 19 HN GLU 19 20.745 13.755 2.622 203 HA GLU 19 HA GLU 19 19.834 13.061 0.101 204 1HB GLU 19 HB2 GLU 19 22.308 13.040 -0.514 205 2HB GLU 19 HB1 GLU 19 21.682 14.515 0.211 206 1HG GLU 19 HG2 GLU 19 23.155 14.397 1.854 207 2HG GLU 19 HG1 GLU 19 22.639 12.762 2.262 208 H LEU 20 HN LEU 20 21.162 11.030 2.570 209 HA LEU 20 HA LEU 20 22.218 8.917 1.148 210 1HB LEU 20 HB2 LEU 20 21.121 9.329 3.806 211 2HB LEU 20 HB1 LEU 20 20.811 7.705 3.224 212 HG LEU 20 HG LEU 20 23.187 7.332 2.878 213 1HD1 LEU 20 1HD1 LEU 20 24.852 8.920 3.239 214 2HD1 LEU 20 2HD1 LEU 20 23.764 10.001 4.110 215 3HD1 LEU 20 3HD1 LEU 20 23.603 9.809 2.364 216 1HD2 LEU 20 1HD2 LEU 20 23.913 7.361 5.199 217 2HD2 LEU 20 2HD2 LEU 20 22.226 6.861 5.083 218 3HD2 LEU 20 3HD2 LEU 20 22.627 8.498 5.603 219 H VAL 21 HN VAL 21 18.862 9.038 2.364 220 HA VAL 21 HA VAL 21 18.032 6.865 0.717 221 HB VAL 21 HB VAL 21 16.918 7.354 2.846 222 1HG1 VAL 21 1HG1 VAL 21 17.071 9.921 2.333 223 2HG1 VAL 21 2HG1 VAL 21 15.764 9.278 3.329 224 3HG1 VAL 21 3HG1 VAL 21 15.473 9.661 1.632 225 1HG2 VAL 21 1HG2 VAL 21 15.077 7.612 0.469 226 2HG2 VAL 21 2HG2 VAL 21 14.612 7.085 2.086 227 3HG2 VAL 21 3HG2 VAL 21 15.716 6.104 1.123 228 H GLU 22 HN GLU 22 18.190 10.303 0.310 229 HA GLU 22 HA GLU 22 17.836 11.646 -1.482 230 1HB GLU 22 HB2 GLU 22 17.975 8.967 -2.692 231 2HB GLU 22 HB1 GLU 22 17.080 10.145 -3.641 232 1HG GLU 22 HG2 GLU 22 19.660 11.070 -2.582 233 2HG GLU 22 HG1 GLU 22 19.743 9.783 -3.785 234 HA PRO 23 HA PRO 23 13.280 11.034 -0.875 235 1HB PRO 23 HB2 PRO 23 12.814 12.788 1.086 236 2HB PRO 23 HB1 PRO 23 13.443 11.172 1.429 237 1HG PRO 23 HG2 PRO 23 14.887 13.785 1.321 238 2HG PRO 23 HG1 PRO 23 15.099 12.432 2.446 239 1HD PRO 23 HD2 PRO 23 16.695 12.933 0.232 240 2HD PRO 23 HD1 PRO 23 16.553 11.369 1.055 241 H LEU 24 HN LEU 24 14.451 12.457 -2.955 242 HA LEU 24 HA LEU 24 12.750 14.845 -3.018 243 1HB LEU 24 HB2 LEU 24 14.783 15.696 -4.571 244 2HB LEU 24 HB1 LEU 24 14.611 16.094 -2.875 245 HG LEU 24 HG LEU 24 16.910 15.410 -3.556 246 1HD1 LEU 24 1HD1 LEU 24 16.502 13.310 -1.687 247 2HD1 LEU 24 2HD1 LEU 24 15.418 14.640 -1.281 248 3HD1 LEU 24 3HD1 LEU 24 17.153 14.925 -1.414 249 1HD2 LEU 24 1HD2 LEU 24 16.816 12.660 -3.525 250 2HD2 LEU 24 2HD2 LEU 24 17.068 13.676 -4.945 251 3HD2 LEU 24 3HD2 LEU 24 15.450 13.098 -4.549 252 H THR 25 HN THR 25 12.756 12.022 -4.168 253 HA THR 25 HA THR 25 12.624 12.732 -7.018 254 HB THR 25 HB THR 25 12.941 10.433 -7.538 255 HG1 THR 25 HG1 THR 25 11.660 9.436 -6.027 256 1HG2 THR 25 1HG2 THR 25 15.003 9.805 -6.413 257 2HG2 THR 25 2HG2 THR 25 14.721 11.045 -5.191 258 3HG2 THR 25 3HG2 THR 25 15.014 11.508 -6.867 259 HA PRO 26 HA PRO 26 8.175 12.581 -6.033 260 1HB PRO 26 HB2 PRO 26 7.398 13.742 -8.381 261 2HB PRO 26 HB1 PRO 26 7.915 14.658 -6.962 262 1HG PRO 26 HG2 PRO 26 9.473 13.914 -9.407 263 2HG PRO 26 HG1 PRO 26 9.432 15.456 -8.534 264 1HD PRO 26 HD2 PRO 26 11.447 13.698 -8.227 265 2HD PRO 26 HD1 PRO 26 10.867 14.702 -6.883 266 H SER 27 HN SER 27 9.919 11.430 -8.833 267 HA SER 27 HA SER 27 7.703 9.607 -9.476 268 1HB SER 27 HB2 SER 27 8.728 11.181 -11.252 269 2HB SER 27 HB1 SER 27 10.100 10.073 -11.237 270 HG SER 27 HG SER 27 8.910 9.061 -12.661 271 H GLY 28 HN GLY 28 9.168 8.981 -7.232 272 1HA GLY 28 HA2 GLY 28 10.619 6.588 -8.160 273 2HA GLY 28 HA1 GLY 28 11.287 7.599 -6.888 274 H GLU 29 HN GLU 29 7.868 6.902 -7.218 275 HA GLU 29 HA GLU 29 6.386 5.840 -5.859 276 1HB GLU 29 HB2 GLU 29 8.775 4.085 -5.260 277 2HB GLU 29 HB1 GLU 29 7.114 3.710 -4.825 278 1HG GLU 29 HG2 GLU 29 7.073 2.590 -6.750 279 2HG GLU 29 HG1 GLU 29 6.882 4.178 -7.493 280 H ALA 30 HN ALA 30 7.932 8.084 -4.839 281 HA ALA 30 HA ALA 30 8.726 7.653 -2.163 282 1HB ALA 30 HB1 ALA 30 8.044 10.278 -2.190 283 2HB ALA 30 HB2 ALA 30 8.266 9.968 -3.912 284 3HB ALA 30 HB3 ALA 30 9.578 9.639 -2.780 285 HA PRO 31 HA PRO 31 4.995 7.619 0.176 286 1HB PRO 31 HB2 PRO 31 5.455 9.403 2.186 287 2HB PRO 31 HB1 PRO 31 6.200 7.803 2.119 288 1HG PRO 31 HG2 PRO 31 7.338 10.455 1.326 289 2HG PRO 31 HG1 PRO 31 8.105 9.130 2.220 290 1HD PRO 31 HD2 PRO 31 8.563 9.546 -0.406 291 2HD PRO 31 HD1 PRO 31 8.536 7.917 0.301 292 H ASN 32 HN ASN 32 6.157 10.959 -0.248 293 HA ASN 32 HA ASN 32 3.923 12.423 0.187 294 1HB ASN 32 HB2 ASN 32 5.771 12.873 -2.158 295 2HB ASN 32 HB1 ASN 32 4.785 14.083 -1.343 296 1HD2 ASN 32 1HD2 ASN 32 7.722 12.346 -1.351 297 2HD2 ASN 32 2HD2 ASN 32 8.414 13.060 0.062 298 H GLN 33 HN GLN 33 4.623 10.591 -2.767 299 HA GLN 33 HA GLN 33 2.227 11.499 -4.072 300 1HB GLN 33 HB2 GLN 33 3.831 9.105 -4.910 301 2HB GLN 33 HB1 GLN 33 2.840 10.168 -5.900 302 1HG GLN 33 HG2 GLN 33 5.308 11.143 -4.503 303 2HG GLN 33 HG1 GLN 33 5.362 10.396 -6.099 304 1HE2 GLN 33 1HE2 GLN 33 4.176 11.410 -7.814 305 2HE2 GLN 33 2HE2 GLN 33 3.898 13.116 -7.779 306 H ALA 34 HN ALA 34 3.079 8.907 -1.961 307 HA ALA 34 HA ALA 34 1.008 7.100 -2.631 308 1HB ALA 34 HB1 ALA 34 1.756 7.032 0.172 309 2HB ALA 34 HB2 ALA 34 3.170 7.098 -0.881 310 3HB ALA 34 HB3 ALA 34 1.980 5.812 -1.083 311 H LEU 35 HN LEU 35 1.361 9.419 0.041 312 HA LEU 35 HA LEU 35 -1.303 9.227 0.946 313 1HB LEU 35 HB2 LEU 35 0.047 11.859 1.177 314 2HB LEU 35 HB1 LEU 35 -0.821 10.936 2.388 315 HG LEU 35 HG LEU 35 1.423 9.402 1.955 316 1HD1 LEU 35 1HD1 LEU 35 3.296 10.698 1.695 317 2HD1 LEU 35 2HD1 LEU 35 2.492 12.164 2.257 318 3HD1 LEU 35 3HD1 LEU 35 2.161 11.542 0.640 319 1HD2 LEU 35 1HD2 LEU 35 2.146 10.258 4.148 320 2HD2 LEU 35 2HD2 LEU 35 0.426 9.868 4.114 321 3HD2 LEU 35 3HD2 LEU 35 0.951 11.549 4.019 322 H LEU 36 HN LEU 36 0.286 11.056 -1.552 323 HA LEU 36 HA LEU 36 -1.774 12.870 -2.125 324 1HB LEU 36 HB2 LEU 36 0.723 12.021 -3.377 325 2HB LEU 36 HB1 LEU 36 -0.498 12.524 -4.531 326 HG LEU 36 HG LEU 36 1.149 14.290 -3.731 327 1HD1 LEU 36 1HD1 LEU 36 -1.301 14.521 -4.714 328 2HD1 LEU 36 2HD1 LEU 36 -0.363 15.919 -4.191 329 3HD1 LEU 36 3HD1 LEU 36 -1.594 15.237 -3.129 330 1HD2 LEU 36 1HD2 LEU 36 -0.477 14.954 -1.422 331 2HD2 LEU 36 2HD2 LEU 36 1.277 14.879 -1.588 332 3HD2 LEU 36 3HD2 LEU 36 0.363 13.416 -1.227 333 H ARG 37 HN ARG 37 -0.970 9.741 -3.733 334 HA ARG 37 HA ARG 37 -3.280 9.867 -5.381 335 1HB ARG 37 HB2 ARG 37 -2.747 7.580 -5.994 336 2HB ARG 37 HB1 ARG 37 -1.273 8.538 -5.958 337 1HG ARG 37 HG2 ARG 37 -0.413 7.406 -4.192 338 2HG ARG 37 HG1 ARG 37 -1.996 7.083 -3.484 339 1HD ARG 37 HD2 ARG 37 -2.092 5.672 -5.834 340 2HD ARG 37 HD1 ARG 37 -0.408 5.489 -5.349 341 HE ARG 37 HE ARG 37 -1.816 4.946 -3.082 342 1HH1 ARG 37 1HH1 ARG 37 -1.861 3.695 -6.339 343 2HH1 ARG 37 2HH1 ARG 37 -2.371 2.113 -5.858 344 1HH2 ARG 37 1HH2 ARG 37 -2.487 2.864 -2.447 345 2HH2 ARG 37 2HH2 ARG 37 -2.727 1.640 -3.649 346 H ILE 38 HN ILE 38 -2.712 8.655 -2.139 347 HA ILE 38 HA ILE 38 -5.122 7.101 -2.075 348 HB ILE 38 HB ILE 38 -3.598 8.262 0.259 349 1HG1 ILE 38 2HG1 ILE 38 -3.305 5.438 -0.654 350 2HG1 ILE 38 1HG1 ILE 38 -2.452 6.699 -1.537 351 1HG2 ILE 38 1HG2 ILE 38 -5.422 5.862 0.130 352 2HG2 ILE 38 2HG2 ILE 38 -5.899 7.451 0.727 353 3HG2 ILE 38 3HG2 ILE 38 -4.649 6.533 1.566 354 1HD1 ILE 38 1HD1 ILE 38 -1.914 5.551 1.090 355 2HD1 ILE 38 2HD1 ILE 38 -1.836 7.311 1.044 356 3HD1 ILE 38 3HD1 ILE 38 -0.830 6.354 -0.044 357 H LEU 39 HN LEU 39 -4.182 10.272 -0.799 358 HA LEU 39 HA LEU 39 -6.614 10.993 0.310 359 1HB LEU 39 HB2 LEU 39 -4.323 12.175 0.381 360 2HB LEU 39 HB1 LEU 39 -4.843 12.967 -1.094 361 HG LEU 39 HG LEU 39 -6.548 13.071 1.371 362 1HD1 LEU 39 1HD1 LEU 39 -5.433 14.943 2.205 363 2HD1 LEU 39 2HD1 LEU 39 -4.501 15.164 0.725 364 3HD1 LEU 39 3HD1 LEU 39 -4.139 13.816 1.802 365 1HD2 LEU 39 1HD2 LEU 39 -6.487 15.443 -0.211 366 2HD2 LEU 39 2HD2 LEU 39 -7.831 14.341 0.085 367 3HD2 LEU 39 3HD2 LEU 39 -6.740 14.056 -1.270 368 H LYS 40 HN LYS 40 -5.654 10.859 -3.063 369 HA LYS 40 HA LYS 40 -8.072 12.327 -3.826 370 1HB LYS 40 HB2 LYS 40 -5.593 11.511 -5.325 371 2HB LYS 40 HB1 LYS 40 -7.027 12.100 -6.154 372 1HG LYS 40 HG2 LYS 40 -5.499 13.911 -5.868 373 2HG LYS 40 HG1 LYS 40 -6.891 14.175 -4.818 374 1HD LYS 40 HD2 LYS 40 -5.488 14.400 -3.103 375 2HD LYS 40 HD1 LYS 40 -5.036 12.707 -3.295 376 1HE LYS 40 HE2 LYS 40 -3.015 13.898 -3.382 377 2HE LYS 40 HE1 LYS 40 -3.394 13.494 -5.057 378 1HZ LYS 40 HZ1 LYS 40 -3.490 16.109 -3.711 379 2HZ LYS 40 HZ2 LYS 40 -4.508 15.824 -5.032 380 3HZ LYS 40 HZ3 LYS 40 -2.831 15.701 -5.215 381 H GLU 41 HN GLU 41 -6.509 9.178 -4.287 382 HA GLU 41 HA GLU 41 -8.866 8.248 -5.751 383 1HB GLU 41 HB2 GLU 41 -7.599 6.411 -6.467 384 2HB GLU 41 HB1 GLU 41 -6.458 7.749 -6.459 385 1HG GLU 41 HG2 GLU 41 -5.110 6.500 -5.242 386 2HG GLU 41 HG1 GLU 41 -6.269 6.632 -3.919 387 H THR 42 HN THR 42 -8.329 8.688 -2.661 388 HA THR 42 HA THR 42 -10.036 6.463 -1.899 389 HB THR 42 HB THR 42 -7.365 7.027 -0.610 390 HG1 THR 42 HG1 THR 42 -7.131 5.679 -2.331 391 1HG2 THR 42 1HG2 THR 42 -8.294 6.341 1.299 392 2HG2 THR 42 2HG2 THR 42 -8.267 4.743 0.552 393 3HG2 THR 42 3HG2 THR 42 -9.733 5.721 0.490 394 H GLU 43 HN GLU 43 -9.733 9.637 -1.995 395 HA GLU 43 HA GLU 43 -10.000 10.697 0.533 396 1HB GLU 43 HB2 GLU 43 -11.565 12.395 -0.598 397 2HB GLU 43 HB1 GLU 43 -9.925 12.271 -1.202 398 1HG GLU 43 HG2 GLU 43 -11.002 10.582 -2.891 399 2HG GLU 43 HG1 GLU 43 -12.482 11.439 -2.468 400 H PHE 44 HN PHE 44 -12.673 9.669 -1.590 401 HA PHE 44 HA PHE 44 -14.499 9.716 0.660 402 1HB PHE 44 HB2 PHE 44 -14.742 9.590 -2.285 403 2HB PHE 44 HB1 PHE 44 -15.998 8.758 -1.374 404 HD1 PHE 44 HD1 PHE 44 -14.233 12.033 -1.543 405 HD2 PHE 44 HD2 PHE 44 -17.826 9.945 -0.623 406 HE1 PHE 44 HE1 PHE 44 -15.382 14.177 -1.174 407 HE2 PHE 44 HE2 PHE 44 -18.980 12.086 -0.255 408 HZ PHE 44 HZ PHE 44 -17.758 14.206 -0.530 409 H LYS 45 HN LYS 45 -12.623 7.408 -1.099 410 HA LYS 45 HA LYS 45 -14.167 5.106 -0.663 411 1HB LYS 45 HB2 LYS 45 -11.154 5.203 -0.773 412 2HB LYS 45 HB1 LYS 45 -12.193 3.846 -1.182 413 1HG LYS 45 HG2 LYS 45 -11.973 6.446 -2.685 414 2HG LYS 45 HG1 LYS 45 -11.330 4.882 -3.184 415 1HD LYS 45 HD2 LYS 45 -13.382 4.070 -3.770 416 2HD LYS 45 HD1 LYS 45 -14.233 5.058 -2.582 417 1HE LYS 45 HE2 LYS 45 -14.280 6.908 -3.952 418 2HE LYS 45 HE1 LYS 45 -12.867 6.391 -4.872 419 1HZ LYS 45 HZ1 LYS 45 -15.470 4.979 -5.004 420 2HZ LYS 45 HZ2 LYS 45 -14.148 4.819 -6.046 421 3HZ LYS 45 HZ3 LYS 45 -15.060 6.242 -6.053 422 H LYS 46 HN LYS 46 -11.590 6.562 1.308 423 HA LYS 46 HA LYS 46 -11.669 4.520 3.291 424 1HB LYS 46 HB2 LYS 46 -10.146 5.877 4.538 425 2HB LYS 46 HB1 LYS 46 -9.702 5.991 2.842 426 1HG LYS 46 HG2 LYS 46 -10.680 8.170 2.667 427 2HG LYS 46 HG1 LYS 46 -11.349 8.048 4.295 428 1HD LYS 46 HD2 LYS 46 -9.416 9.390 4.491 429 2HD LYS 46 HD1 LYS 46 -8.966 7.801 5.113 430 1HE LYS 46 HE2 LYS 46 -8.505 8.068 2.251 431 2HE LYS 46 HE1 LYS 46 -7.606 9.252 3.199 432 1HZ LYS 46 HZ1 LYS 46 -6.456 7.606 4.320 433 2HZ LYS 46 HZ2 LYS 46 -6.546 6.976 2.753 434 3HZ LYS 46 HZ3 LYS 46 -7.588 6.402 3.956 435 H ILE 47 HN ILE 47 -13.097 7.759 3.089 436 HA ILE 47 HA ILE 47 -14.125 7.787 5.708 437 HB ILE 47 HB ILE 47 -15.471 9.659 5.092 438 1HG1 ILE 47 2HG1 ILE 47 -14.958 8.817 2.235 439 2HG1 ILE 47 1HG1 ILE 47 -16.509 8.884 3.061 440 1HG2 ILE 47 1HG2 ILE 47 -13.408 10.528 3.331 441 2HG2 ILE 47 2HG2 ILE 47 -12.703 9.478 4.560 442 3HG2 ILE 47 3HG2 ILE 47 -13.635 10.895 5.040 443 1HD1 ILE 47 1HD1 ILE 47 -14.821 11.131 2.052 444 2HD1 ILE 47 2HD1 ILE 47 -16.033 11.394 3.307 445 3HD1 ILE 47 3HD1 ILE 47 -16.517 10.774 1.728 446 H LYS 48 HN LYS 48 -15.788 6.983 2.637 447 HA LYS 48 HA LYS 48 -18.278 6.411 3.704 448 1HB LYS 48 HB2 LYS 48 -18.702 5.096 1.717 449 2HB LYS 48 HB1 LYS 48 -17.778 6.527 1.283 450 1HG LYS 48 HG2 LYS 48 -16.404 5.169 0.197 451 2HG LYS 48 HG1 LYS 48 -15.841 4.619 1.776 452 1HD LYS 48 HD2 LYS 48 -17.084 2.689 1.701 453 2HD LYS 48 HD1 LYS 48 -18.299 3.390 0.630 454 1HE LYS 48 HE2 LYS 48 -16.160 3.475 -0.991 455 2HE LYS 48 HE1 LYS 48 -15.731 2.075 -0.008 456 1HZ LYS 48 HZ1 LYS 48 -17.876 2.393 -1.947 457 2HZ LYS 48 HZ2 LYS 48 -18.254 1.500 -0.561 458 3HZ LYS 48 HZ3 LYS 48 -16.968 1.022 -1.550 459 H VAL 49 HN VAL 49 -15.369 4.478 3.662 460 HA VAL 49 HA VAL 49 -16.671 2.090 4.620 461 HB VAL 49 HB VAL 49 -13.719 2.723 4.511 462 1HG1 VAL 49 1HG1 VAL 49 -14.968 0.654 5.801 463 2HG1 VAL 49 2HG1 VAL 49 -13.306 0.635 5.211 464 3HG1 VAL 49 3HG1 VAL 49 -14.598 -0.051 4.227 465 1HG2 VAL 49 1HG2 VAL 49 -15.093 1.011 2.496 466 2HG2 VAL 49 2HG2 VAL 49 -13.619 1.970 2.347 467 3HG2 VAL 49 3HG2 VAL 49 -15.194 2.765 2.337 468 H LEU 50 HN LEU 50 -14.915 4.797 5.991 469 HA LEU 50 HA LEU 50 -14.662 3.582 8.594 470 1HB LEU 50 HB2 LEU 50 -14.161 6.384 7.600 471 2HB LEU 50 HB1 LEU 50 -13.890 5.882 9.258 472 HG LEU 50 HG LEU 50 -12.535 4.456 6.994 473 1HD1 LEU 50 1HD1 LEU 50 -12.235 7.117 7.224 474 2HD1 LEU 50 2HD1 LEU 50 -10.941 6.028 6.720 475 3HD1 LEU 50 3HD1 LEU 50 -11.034 6.572 8.395 476 1HD2 LEU 50 1HD2 LEU 50 -12.015 4.818 9.934 477 2HD2 LEU 50 2HD2 LEU 50 -10.819 4.153 8.822 478 3HD2 LEU 50 3HD2 LEU 50 -12.357 3.323 9.062 479 H GLY 51 HN GLY 51 -16.898 5.707 6.964 480 1HA GLY 51 HA2 GLY 51 -18.324 6.222 9.476 481 2HA GLY 51 HA1 GLY 51 -18.601 7.045 7.949 482 H SER 52 HN SER 52 -18.325 3.571 8.185 483 HA SER 52 HA SER 52 -20.666 3.047 6.777 484 1HB SER 52 HB2 SER 52 -18.608 1.518 7.505 485 2HB SER 52 HB1 SER 52 -19.741 1.031 8.767 486 HG SER 52 HG SER 52 -19.660 0.210 6.259 487 H GLY 53 HN GLY 53 -20.153 3.608 10.180 488 1HA GLY 53 HA2 GLY 53 -21.715 4.124 11.806 489 2HA GLY 53 HA1 GLY 53 -22.981 3.908 10.607 Start of MODEL 13 1 1H ARG 1 HT1 ARG 1 2.155 3.220 -2.246 2 2H ARG 1 HT2 ARG 1 1.500 1.972 -3.224 3 3H ARG 1 HT3 ARG 1 0.466 3.152 -2.531 4 HA ARG 1 HA ARG 1 1.765 4.832 -3.808 5 1HB ARG 1 HB2 ARG 1 3.572 3.054 -4.230 6 2HB ARG 1 HB1 ARG 1 2.494 2.424 -5.467 7 1HG ARG 1 HG2 ARG 1 2.663 5.173 -5.951 8 2HG ARG 1 HG1 ARG 1 4.306 4.648 -5.580 9 1HD ARG 1 HD2 ARG 1 2.533 3.229 -7.556 10 2HD ARG 1 HD1 ARG 1 3.624 4.537 -8.012 11 HE ARG 1 HE ARG 1 4.334 1.827 -7.370 12 1HH1 ARG 1 1HH1 ARG 1 5.471 5.123 -7.523 13 2HH1 ARG 1 2HH1 ARG 1 7.136 4.674 -7.679 14 1HH2 ARG 1 1HH2 ARG 1 6.524 1.234 -7.575 15 2HH2 ARG 1 2HH2 ARG 1 7.734 2.465 -7.709 16 H ARG 2 HN ARG 2 0.274 1.797 -4.924 17 HA ARG 2 HA ARG 2 -1.889 3.377 -6.113 18 1HB ARG 2 HB2 ARG 2 -0.139 1.386 -7.510 19 2HB ARG 2 HB1 ARG 2 -1.811 1.584 -8.015 20 1HG ARG 2 HG2 ARG 2 -1.463 3.827 -8.642 21 2HG ARG 2 HG1 ARG 2 0.090 3.898 -7.808 22 1HD ARG 2 HD2 ARG 2 0.582 1.876 -9.502 23 2HD ARG 2 HD1 ARG 2 -0.602 2.772 -10.452 24 HE ARG 2 HE ARG 2 1.497 4.413 -9.375 25 1HH1 ARG 2 1HH1 ARG 2 0.553 2.356 -12.031 26 2HH1 ARG 2 2HH1 ARG 2 1.654 3.085 -13.151 27 1HH2 ARG 2 1HH2 ARG 2 2.946 5.373 -10.847 28 2HH2 ARG 2 2HH2 ARG 2 3.014 4.796 -12.479 29 H ARG 3 HN ARG 3 -0.980 -0.070 -6.022 30 HA ARG 3 HA ARG 3 -3.307 -0.620 -4.342 31 1HB ARG 3 HB2 ARG 3 -2.806 -1.878 -7.040 32 2HB ARG 3 HB1 ARG 3 -3.919 -2.542 -5.852 33 1HG ARG 3 HG2 ARG 3 -4.254 0.301 -6.637 34 2HG ARG 3 HG1 ARG 3 -4.729 -0.947 -7.791 35 1HD ARG 3 HD2 ARG 3 -5.633 -1.177 -4.961 36 2HD ARG 3 HD1 ARG 3 -6.433 -0.012 -6.016 37 HE ARG 3 HE ARG 3 -6.223 -2.640 -7.156 38 1HH1 ARG 3 1HH1 ARG 3 -8.122 -0.568 -5.089 39 2HH1 ARG 3 2HH1 ARG 3 -9.589 -1.454 -5.337 40 1HH2 ARG 3 1HH2 ARG 3 -8.150 -3.806 -7.486 41 2HH2 ARG 3 2HH2 ARG 3 -9.606 -3.293 -6.698 42 H HIS 4 HN HIS 4 -3.334 -3.129 -3.903 43 HA HIS 4 HA HIS 4 -0.562 -4.020 -3.460 44 1HB HIS 4 HB2 HIS 4 -1.737 -3.109 -1.392 45 2HB HIS 4 HB1 HIS 4 -2.810 -4.500 -1.504 46 HD1 HIS 4 HD1 HIS 4 -1.800 -6.823 -0.947 47 HD2 HIS 4 HD2 HIS 4 0.836 -3.650 -0.457 48 HE1 HIS 4 HE1 HIS 4 0.140 -7.756 0.352 49 HE2 HIS 4 HE2 HIS 4 1.765 -5.842 0.553 50 H ILE 5 HN ILE 5 -1.281 -5.066 -5.591 51 HA ILE 5 HA ILE 5 -2.693 -7.592 -5.033 52 HB ILE 5 HB ILE 5 -2.260 -6.417 -7.772 53 1HG1 ILE 5 2HG1 ILE 5 -4.771 -6.159 -6.109 54 2HG1 ILE 5 1HG1 ILE 5 -3.570 -4.880 -6.250 55 1HG2 ILE 5 1HG2 ILE 5 -3.072 -8.915 -6.980 56 2HG2 ILE 5 2HG2 ILE 5 -3.391 -8.180 -8.550 57 3HG2 ILE 5 3HG2 ILE 5 -4.599 -8.084 -7.270 58 1HD1 ILE 5 1HD1 ILE 5 -4.230 -4.312 -8.321 59 2HD1 ILE 5 2HD1 ILE 5 -5.735 -5.081 -7.817 60 3HD1 ILE 5 3HD1 ILE 5 -4.569 -5.979 -8.789 61 H VAL 6 HN VAL 6 0.313 -6.207 -5.880 62 HA VAL 6 HA VAL 6 1.508 -8.139 -7.463 63 HB VAL 6 HB VAL 6 2.961 -6.726 -5.232 64 1HG1 VAL 6 1HG1 VAL 6 4.743 -7.667 -6.160 65 2HG1 VAL 6 2HG1 VAL 6 4.418 -6.768 -7.641 66 3HG1 VAL 6 3HG1 VAL 6 3.749 -8.386 -7.426 67 1HG2 VAL 6 1HG2 VAL 6 3.359 -5.040 -7.229 68 2HG2 VAL 6 2HG2 VAL 6 1.972 -4.881 -6.152 69 3HG2 VAL 6 3HG2 VAL 6 1.778 -5.637 -7.733 70 H ARG 7 HN ARG 7 0.716 -8.240 -4.075 71 HA ARG 7 HA ARG 7 0.753 -9.931 -2.555 72 1HB ARG 7 HB2 ARG 7 0.287 -11.187 -4.925 73 2HB ARG 7 HB1 ARG 7 1.759 -11.996 -4.409 74 1HG ARG 7 HG2 ARG 7 -0.291 -13.170 -3.712 75 2HG ARG 7 HG1 ARG 7 0.721 -12.684 -2.351 76 1HD ARG 7 HD2 ARG 7 -1.242 -10.664 -3.090 77 2HD ARG 7 HD1 ARG 7 -1.975 -12.197 -2.628 78 HE ARG 7 HE ARG 7 -0.118 -10.668 -0.921 79 1HH1 ARG 7 1HH1 ARG 7 -2.874 -12.793 -1.296 80 2HH1 ARG 7 2HH1 ARG 7 -3.206 -12.852 0.400 81 1HH2 ARG 7 1HH2 ARG 7 -0.564 -10.756 1.304 82 2HH2 ARG 7 2HH2 ARG 7 -1.899 -11.701 1.873 83 H LYS 8 HN LYS 8 2.601 -12.249 -2.649 84 HA LYS 8 HA LYS 8 4.739 -11.182 -1.214 85 1HB LYS 8 HB2 LYS 8 5.793 -13.417 -1.509 86 2HB LYS 8 HB1 LYS 8 4.125 -13.496 -0.960 87 1HG LYS 8 HG2 LYS 8 4.353 -13.576 -3.855 88 2HG LYS 8 HG1 LYS 8 5.218 -14.893 -3.061 89 1HD LYS 8 HD2 LYS 8 3.294 -15.766 -2.123 90 2HD LYS 8 HD1 LYS 8 2.431 -14.229 -2.210 91 1HE LYS 8 HE2 LYS 8 2.351 -14.450 -4.666 92 2HE LYS 8 HE1 LYS 8 3.142 -16.019 -4.531 93 1HZ LYS 8 HZ1 LYS 8 0.640 -15.492 -3.069 94 2HZ LYS 8 HZ2 LYS 8 1.284 -16.970 -3.580 95 3HZ LYS 8 HZ3 LYS 8 0.591 -15.915 -4.706 96 H ARG 9 HN ARG 9 4.249 -11.394 -4.605 97 HA ARG 9 HA ARG 9 6.914 -11.479 -5.506 98 1HB ARG 9 HB2 ARG 9 4.894 -11.822 -6.935 99 2HB ARG 9 HB1 ARG 9 4.578 -10.095 -6.836 100 1HG ARG 9 HG2 ARG 9 7.158 -10.118 -7.687 101 2HG ARG 9 HG1 ARG 9 6.518 -11.569 -8.458 102 1HD ARG 9 HD2 ARG 9 4.598 -10.146 -9.266 103 2HD ARG 9 HD1 ARG 9 5.507 -8.744 -8.703 104 HE ARG 9 HE ARG 9 6.862 -8.936 -10.534 105 1HH1 ARG 9 1HH1 ARG 9 5.109 -11.925 -10.123 106 2HH1 ARG 9 2HH1 ARG 9 5.654 -12.596 -11.623 107 1HH2 ARG 9 1HH2 ARG 9 7.581 -9.817 -12.507 108 2HH2 ARG 9 2HH2 ARG 9 7.058 -11.401 -12.976 109 H THR 10 HN THR 10 5.092 -8.999 -3.994 110 HA THR 10 HA THR 10 6.491 -6.745 -5.003 111 HB THR 10 HB THR 10 4.214 -6.941 -3.723 112 HG1 THR 10 HG1 THR 10 4.479 -4.924 -4.207 113 1HG2 THR 10 1HG2 THR 10 6.102 -6.402 -1.444 114 2HG2 THR 10 2HG2 THR 10 5.050 -7.806 -1.625 115 3HG2 THR 10 3HG2 THR 10 4.349 -6.204 -1.400 116 H LEU 11 HN LEU 11 6.778 -8.644 -2.016 117 HA LEU 11 HA LEU 11 8.740 -7.259 -0.695 118 1HB LEU 11 HB2 LEU 11 8.136 -10.186 -0.904 119 2HB LEU 11 HB1 LEU 11 9.536 -9.649 0.006 120 HG LEU 11 HG LEU 11 8.009 -8.230 1.393 121 1HD1 LEU 11 1HD1 LEU 11 5.566 -9.151 1.276 122 2HD1 LEU 11 2HD1 LEU 11 5.999 -9.514 -0.395 123 3HD1 LEU 11 3HD1 LEU 11 6.084 -7.855 0.197 124 1HD2 LEU 11 1HD2 LEU 11 6.983 -11.001 1.635 125 2HD2 LEU 11 2HD2 LEU 11 7.652 -9.926 2.863 126 3HD2 LEU 11 3HD2 LEU 11 8.727 -10.765 1.746 127 H ARG 12 HN ARG 12 9.007 -9.162 -3.579 128 HA ARG 12 HA ARG 12 11.782 -9.567 -3.590 129 1HB ARG 12 HB2 ARG 12 9.566 -10.007 -5.352 130 2HB ARG 12 HB1 ARG 12 10.878 -9.269 -6.264 131 1HG ARG 12 HG2 ARG 12 11.085 -11.768 -4.595 132 2HG ARG 12 HG1 ARG 12 10.978 -11.701 -6.355 133 1HD ARG 12 HD2 ARG 12 13.066 -10.184 -6.183 134 2HD ARG 12 HD1 ARG 12 13.225 -10.857 -4.562 135 HE ARG 12 HE ARG 12 12.901 -12.908 -6.501 136 1HH1 ARG 12 1HH1 ARG 12 15.242 -10.670 -5.202 137 2HH1 ARG 12 2HH1 ARG 12 16.602 -11.663 -5.608 138 1HH2 ARG 12 1HH2 ARG 12 14.688 -14.215 -7.035 139 2HH2 ARG 12 2HH2 ARG 12 16.288 -13.675 -6.649 140 H ARG 13 HN ARG 13 9.757 -6.907 -4.653 141 HA ARG 13 HA ARG 13 11.856 -5.453 -5.940 142 1HB ARG 13 HB2 ARG 13 9.235 -4.389 -4.871 143 2HB ARG 13 HB1 ARG 13 10.261 -3.642 -6.089 144 1HG ARG 13 HG2 ARG 13 9.849 -5.825 -7.420 145 2HG ARG 13 HG1 ARG 13 8.482 -6.029 -6.322 146 1HD ARG 13 HD2 ARG 13 7.909 -4.886 -8.460 147 2HD ARG 13 HD1 ARG 13 7.528 -3.948 -7.017 148 HE ARG 13 HE ARG 13 9.009 -2.360 -7.717 149 1HH1 ARG 13 1HH1 ARG 13 9.705 -5.338 -9.399 150 2HH1 ARG 13 2HH1 ARG 13 10.893 -4.621 -10.436 151 1HH2 ARG 13 1HH2 ARG 13 10.570 -1.416 -9.080 152 2HH2 ARG 13 2HH2 ARG 13 11.384 -2.394 -10.255 153 H LEU 14 HN LEU 14 10.403 -5.494 -2.749 154 HA LEU 14 HA LEU 14 11.710 -3.195 -1.730 155 1HB LEU 14 HB2 LEU 14 9.935 -5.226 -0.755 156 2HB LEU 14 HB1 LEU 14 11.249 -5.023 0.388 157 HG LEU 14 HG LEU 14 10.751 -2.576 0.442 158 1HD1 LEU 14 1HD1 LEU 14 9.609 -1.903 -1.388 159 2HD1 LEU 14 2HD1 LEU 14 8.220 -2.256 -0.360 160 3HD1 LEU 14 3HD1 LEU 14 8.753 -3.436 -1.557 161 1HD2 LEU 14 1HD2 LEU 14 8.944 -4.716 1.388 162 2HD2 LEU 14 2HD2 LEU 14 8.343 -3.062 1.501 163 3HD2 LEU 14 3HD2 LEU 14 9.851 -3.509 2.299 164 H LEU 15 HN LEU 15 12.420 -6.669 -1.403 165 HA LEU 15 HA LEU 15 14.779 -6.408 0.073 166 1HB LEU 15 HB2 LEU 15 14.134 -8.565 -1.933 167 2HB LEU 15 HB1 LEU 15 15.280 -8.678 -0.611 168 HG LEU 15 HG LEU 15 12.469 -8.057 0.108 169 1HD1 LEU 15 1HD1 LEU 15 13.053 -10.926 -0.214 170 2HD1 LEU 15 2HD1 LEU 15 12.763 -10.025 -1.702 171 3HD1 LEU 15 3HD1 LEU 15 11.543 -10.040 -0.428 172 1HD2 LEU 15 1HD2 LEU 15 14.651 -9.785 1.262 173 2HD2 LEU 15 2HD2 LEU 15 13.040 -9.615 1.958 174 3HD2 LEU 15 3HD2 LEU 15 14.107 -8.215 1.852 175 H GLN 16 HN GLN 16 14.177 -6.282 -3.383 176 HA GLN 16 HA GLN 16 17.001 -6.142 -4.016 177 1HB GLN 16 HB2 GLN 16 14.465 -6.294 -5.565 178 2HB GLN 16 HB1 GLN 16 15.862 -5.580 -6.357 179 1HG GLN 16 HG2 GLN 16 17.136 -7.657 -5.748 180 2HG GLN 16 HG1 GLN 16 15.599 -8.356 -5.241 181 1HE2 GLN 16 1HE2 GLN 16 16.544 -9.857 -6.999 182 2HE2 GLN 16 2HE2 GLN 16 15.956 -9.578 -8.599 183 H GLU 17 HN GLU 17 14.586 -3.953 -3.086 184 HA GLU 17 HA GLU 17 15.725 -1.701 -4.531 185 1HB GLU 17 HB2 GLU 17 13.303 -2.144 -2.854 186 2HB GLU 17 HB1 GLU 17 13.938 -0.509 -2.968 187 1HG GLU 17 HG2 GLU 17 13.589 -0.420 -5.288 188 2HG GLU 17 HG1 GLU 17 13.351 -2.163 -5.399 189 H ARG 18 HN ARG 18 16.996 -3.307 -2.173 190 HA ARG 18 HA ARG 18 17.286 -1.418 -0.063 191 1HB ARG 18 HB2 ARG 18 19.045 -2.916 0.756 192 2HB ARG 18 HB1 ARG 18 17.599 -3.811 0.312 193 1HG ARG 18 HG2 ARG 18 18.899 -5.138 -0.893 194 2HG ARG 18 HG1 ARG 18 19.134 -3.787 -2.002 195 1HD ARG 18 HD2 ARG 18 21.065 -3.056 -0.646 196 2HD ARG 18 HD1 ARG 18 20.849 -4.471 0.384 197 HE ARG 18 HE ARG 18 22.057 -4.390 -2.216 198 1HH1 ARG 18 1HH1 ARG 18 20.362 -6.412 0.069 199 2HH1 ARG 18 2HH1 ARG 18 21.004 -7.888 -0.571 200 1HH2 ARG 18 1HH2 ARG 18 22.902 -6.331 -3.058 201 2HH2 ARG 18 2HH2 ARG 18 22.446 -7.842 -2.345 202 H GLU 19 HN GLU 19 18.954 -2.022 -3.060 203 HA GLU 19 HA GLU 19 20.975 -0.005 -2.350 204 1HB GLU 19 HB2 GLU 19 22.344 -0.926 -4.140 205 2HB GLU 19 HB1 GLU 19 21.873 -2.198 -3.020 206 1HG GLU 19 HG2 GLU 19 19.943 -2.618 -4.689 207 2HG GLU 19 HG1 GLU 19 20.945 -1.704 -5.815 208 H LEU 20 HN LEU 20 18.310 0.720 -3.089 209 HA LEU 20 HA LEU 20 18.503 1.671 -5.835 210 1HB LEU 20 HB2 LEU 20 16.397 0.713 -4.602 211 2HB LEU 20 HB1 LEU 20 16.248 2.351 -3.993 212 HG LEU 20 HG LEU 20 16.484 2.929 -6.585 213 1HD1 LEU 20 1HD1 LEU 20 15.893 1.320 -8.052 214 2HD1 LEU 20 2HD1 LEU 20 14.811 0.522 -6.911 215 3HD1 LEU 20 3HD1 LEU 20 16.552 0.256 -6.810 216 1HD2 LEU 20 1HD2 LEU 20 14.651 3.732 -5.357 217 2HD2 LEU 20 2HD2 LEU 20 14.044 2.108 -5.039 218 3HD2 LEU 20 3HD2 LEU 20 13.944 2.783 -6.665 219 H VAL 21 HN VAL 21 19.970 2.712 -3.251 220 HA VAL 21 HA VAL 21 20.654 4.704 -2.382 221 HB VAL 21 HB VAL 21 20.095 5.772 -5.145 222 1HG1 VAL 21 1HG1 VAL 21 21.143 6.979 -2.849 223 2HG1 VAL 21 2HG1 VAL 21 21.175 7.606 -4.497 224 3HG1 VAL 21 3HG1 VAL 21 22.531 6.656 -3.888 225 1HG2 VAL 21 1HG2 VAL 21 22.702 5.095 -5.228 226 2HG2 VAL 21 2HG2 VAL 21 21.402 4.059 -5.815 227 3HG2 VAL 21 3HG2 VAL 21 22.075 3.803 -4.205 228 H GLU 22 HN GLU 22 17.748 4.136 -2.274 229 HA GLU 22 HA GLU 22 16.885 6.570 -1.169 230 1HB GLU 22 HB2 GLU 22 16.269 6.132 -4.024 231 2HB GLU 22 HB1 GLU 22 14.902 6.614 -3.029 232 1HG GLU 22 HG2 GLU 22 16.765 8.390 -2.208 233 2HG GLU 22 HG1 GLU 22 17.254 8.146 -3.885 234 HA PRO 23 HA PRO 23 14.338 2.777 -0.256 235 1HB PRO 23 HB2 PRO 23 15.478 1.888 1.979 236 2HB PRO 23 HB1 PRO 23 16.192 1.541 0.398 237 1HG PRO 23 HG2 PRO 23 17.007 3.557 2.445 238 2HG PRO 23 HG1 PRO 23 18.020 2.546 1.401 239 1HD PRO 23 HD2 PRO 23 17.344 5.217 0.931 240 2HD PRO 23 HD1 PRO 23 17.986 4.083 -0.273 241 H LEU 24 HN LEU 24 14.325 5.758 0.612 242 HA LEU 24 HA LEU 24 13.088 5.499 3.247 243 1HB LEU 24 HB2 LEU 24 13.140 7.946 3.299 244 2HB LEU 24 HB1 LEU 24 14.728 7.265 2.998 245 HG LEU 24 HG LEU 24 13.855 7.688 0.451 246 1HD1 LEU 24 1HD1 LEU 24 12.410 9.542 2.254 247 2HD1 LEU 24 2HD1 LEU 24 11.943 8.890 0.684 248 3HD1 LEU 24 3HD1 LEU 24 13.103 10.214 0.778 249 1HD2 LEU 24 1HD2 LEU 24 16.013 8.331 1.639 250 2HD2 LEU 24 2HD2 LEU 24 15.203 9.840 2.055 251 3HD2 LEU 24 3HD2 LEU 24 15.450 9.409 0.363 252 H THR 25 HN THR 25 11.683 4.371 1.069 253 HA THR 25 HA THR 25 9.191 5.812 1.336 254 HB THR 25 HB THR 25 9.805 6.967 -0.588 255 HG1 THR 25 HG1 THR 25 8.376 6.276 -2.045 256 1HG2 THR 25 1HG2 THR 25 10.788 4.498 -1.969 257 2HG2 THR 25 2HG2 THR 25 11.852 5.544 -1.028 258 3HG2 THR 25 3HG2 THR 25 11.006 6.183 -2.437 259 HA PRO 26 HA PRO 26 7.645 1.684 1.283 260 1HB PRO 26 HB2 PRO 26 5.052 2.117 0.667 261 2HB PRO 26 HB1 PRO 26 5.741 2.563 2.231 262 1HG PRO 26 HG2 PRO 26 5.197 4.283 -0.157 263 2HG PRO 26 HG1 PRO 26 4.895 4.621 1.557 264 1HD PRO 26 HD2 PRO 26 7.049 5.594 0.213 265 2HD PRO 26 HD1 PRO 26 7.077 5.229 1.950 266 H SER 27 HN SER 27 7.285 3.712 -1.536 267 HA SER 27 HA SER 27 6.700 1.374 -3.207 268 1HB SER 27 HB2 SER 27 5.948 2.869 -4.886 269 2HB SER 27 HB1 SER 27 5.333 3.532 -3.372 270 HG SER 27 HG SER 27 6.696 5.176 -3.516 271 H GLY 28 HN GLY 28 8.796 4.264 -3.315 272 1HA GLY 28 HA2 GLY 28 11.242 3.164 -3.571 273 2HA GLY 28 HA1 GLY 28 10.582 2.959 -5.187 274 H GLU 29 HN GLU 29 9.069 5.404 -5.207 275 HA GLU 29 HA GLU 29 11.222 7.208 -5.893 276 1HB GLU 29 HB2 GLU 29 9.130 6.866 -7.280 277 2HB GLU 29 HB1 GLU 29 8.257 7.752 -6.038 278 1HG GLU 29 HG2 GLU 29 8.932 9.710 -6.831 279 2HG GLU 29 HG1 GLU 29 10.612 9.183 -6.912 280 H ALA 30 HN ALA 30 8.276 7.520 -3.896 281 HA ALA 30 HA ALA 30 9.602 8.638 -1.681 282 1HB ALA 30 HB1 ALA 30 8.015 10.818 -2.873 283 2HB ALA 30 HB2 ALA 30 9.555 10.467 -3.657 284 3HB ALA 30 HB3 ALA 30 9.512 10.878 -1.942 285 HA PRO 31 HA PRO 31 5.714 7.672 0.158 286 1HB PRO 31 HB2 PRO 31 5.658 9.399 2.265 287 2HB PRO 31 HB1 PRO 31 6.679 7.957 2.220 288 1HG PRO 31 HG2 PRO 31 7.396 10.805 1.643 289 2HG PRO 31 HG1 PRO 31 8.298 9.589 2.565 290 1HD PRO 31 HD2 PRO 31 8.923 10.216 0.015 291 2HD PRO 31 HD1 PRO 31 9.124 8.576 0.660 292 H ASN 32 HN ASN 32 6.372 11.114 -0.345 293 HA ASN 32 HA ASN 32 3.961 12.288 0.040 294 1HB ASN 32 HB2 ASN 32 6.107 13.362 -0.779 295 2HB ASN 32 HB1 ASN 32 5.629 12.879 -2.403 296 1HD2 ASN 32 1HD2 ASN 32 4.000 14.319 0.406 297 2HD2 ASN 32 2HD2 ASN 32 3.283 15.625 -0.468 298 H GLN 33 HN GLN 33 4.903 10.477 -2.868 299 HA GLN 33 HA GLN 33 2.574 10.983 -4.353 300 1HB GLN 33 HB2 GLN 33 4.092 8.402 -4.531 301 2HB GLN 33 HB1 GLN 33 3.224 9.256 -5.797 302 1HG GLN 33 HG2 GLN 33 5.829 10.052 -4.523 303 2HG GLN 33 HG1 GLN 33 5.568 9.501 -6.177 304 1HE2 GLN 33 1HE2 GLN 33 5.706 11.082 -7.580 305 2HE2 GLN 33 2HE2 GLN 33 5.182 12.712 -7.345 306 H ALA 34 HN ALA 34 3.154 8.866 -1.681 307 HA ALA 34 HA ALA 34 0.995 7.078 -2.099 308 1HB ALA 34 HB1 ALA 34 3.009 6.939 -0.435 309 2HB ALA 34 HB2 ALA 34 1.449 6.252 0.017 310 3HB ALA 34 HB3 ALA 34 1.932 7.829 0.642 311 H LEU 35 HN LEU 35 1.374 9.862 0.082 312 HA LEU 35 HA LEU 35 -1.342 10.076 0.782 313 1HB LEU 35 HB2 LEU 35 0.703 12.290 0.690 314 2HB LEU 35 HB1 LEU 35 -0.777 12.270 1.631 315 HG LEU 35 HG LEU 35 1.193 10.101 2.133 316 1HD1 LEU 35 1HD1 LEU 35 1.620 12.581 3.667 317 2HD1 LEU 35 2HD1 LEU 35 2.216 12.582 2.007 318 3HD1 LEU 35 3HD1 LEU 35 2.773 11.353 3.142 319 1HD2 LEU 35 1HD2 LEU 35 0.368 10.973 4.525 320 2HD2 LEU 35 2HD2 LEU 35 -0.540 9.809 3.560 321 3HD2 LEU 35 3HD2 LEU 35 -0.990 11.514 3.538 322 H LEU 36 HN LEU 36 0.554 11.238 -1.885 323 HA LEU 36 HA LEU 36 -1.115 13.220 -2.881 324 1HB LEU 36 HB2 LEU 36 1.220 11.855 -3.726 325 2HB LEU 36 HB1 LEU 36 0.102 11.895 -5.077 326 HG LEU 36 HG LEU 36 1.616 13.795 -5.148 327 1HD1 LEU 36 1HD1 LEU 36 -1.015 13.881 -5.597 328 2HD1 LEU 36 2HD1 LEU 36 0.041 15.278 -5.813 329 3HD1 LEU 36 3HD1 LEU 36 -0.905 15.108 -4.334 330 1HD2 LEU 36 1HD2 LEU 36 2.104 13.985 -2.773 331 2HD2 LEU 36 2HD2 LEU 36 0.452 14.514 -2.460 332 3HD2 LEU 36 3HD2 LEU 36 1.536 15.525 -3.415 333 H ARG 37 HN ARG 37 -1.087 9.727 -3.736 334 HA ARG 37 HA ARG 37 -3.609 10.199 -5.163 335 1HB ARG 37 HB2 ARG 37 -1.400 8.945 -6.046 336 2HB ARG 37 HB1 ARG 37 -2.268 7.573 -5.372 337 1HG ARG 37 HG2 ARG 37 -4.267 8.574 -6.750 338 2HG ARG 37 HG1 ARG 37 -2.962 9.310 -7.682 339 1HD ARG 37 HD2 ARG 37 -2.755 6.417 -7.047 340 2HD ARG 37 HD1 ARG 37 -3.936 6.908 -8.259 341 HE ARG 37 HE ARG 37 -1.317 8.019 -8.674 342 1HH1 ARG 37 1HH1 ARG 37 -3.395 5.279 -9.274 343 2HH1 ARG 37 2HH1 ARG 37 -2.524 4.768 -10.680 344 1HH2 ARG 37 1HH2 ARG 37 -0.171 7.349 -10.524 345 2HH2 ARG 37 2HH2 ARG 37 -0.693 5.943 -11.390 346 H ILE 38 HN ILE 38 -2.570 8.898 -2.179 347 HA ILE 38 HA ILE 38 -4.503 6.784 -2.063 348 HB ILE 38 HB ILE 38 -2.513 6.696 -0.646 349 1HG1 ILE 38 2HG1 ILE 38 -3.941 6.536 1.626 350 2HG1 ILE 38 1HG1 ILE 38 -5.264 6.614 0.467 351 1HG2 ILE 38 1HG2 ILE 38 -2.684 9.265 -0.235 352 2HG2 ILE 38 2HG2 ILE 38 -1.991 8.212 0.999 353 3HG2 ILE 38 3HG2 ILE 38 -3.654 8.777 1.154 354 1HD1 ILE 38 1HD1 ILE 38 -3.338 4.738 -0.469 355 2HD1 ILE 38 2HD1 ILE 38 -5.013 4.466 0.014 356 3HD1 ILE 38 3HD1 ILE 38 -3.724 4.378 1.214 357 H LEU 39 HN LEU 39 -4.382 10.031 -0.628 358 HA LEU 39 HA LEU 39 -7.055 9.764 0.423 359 1HB LEU 39 HB2 LEU 39 -4.867 11.737 0.578 360 2HB LEU 39 HB1 LEU 39 -6.483 12.406 0.671 361 HG LEU 39 HG LEU 39 -6.979 11.226 2.661 362 1HD1 LEU 39 1HD1 LEU 39 -5.730 9.113 1.764 363 2HD1 LEU 39 2HD1 LEU 39 -5.890 9.380 3.498 364 3HD1 LEU 39 3HD1 LEU 39 -4.377 9.768 2.684 365 1HD2 LEU 39 1HD2 LEU 39 -4.089 11.944 3.027 366 2HD2 LEU 39 2HD2 LEU 39 -5.422 12.112 4.170 367 3HD2 LEU 39 3HD2 LEU 39 -5.330 13.169 2.761 368 H LYS 40 HN LYS 40 -5.752 10.480 -2.559 369 HA LYS 40 HA LYS 40 -7.907 12.288 -3.345 370 1HB LYS 40 HB2 LYS 40 -5.289 11.468 -4.551 371 2HB LYS 40 HB1 LYS 40 -6.535 12.183 -5.565 372 1HG LYS 40 HG2 LYS 40 -4.748 13.720 -4.593 373 2HG LYS 40 HG1 LYS 40 -6.429 14.230 -4.467 374 1HD LYS 40 HD2 LYS 40 -5.865 14.627 -2.313 375 2HD LYS 40 HD1 LYS 40 -6.146 12.904 -2.122 376 1HE LYS 40 HE2 LYS 40 -4.024 13.659 -1.122 377 2HE LYS 40 HE1 LYS 40 -3.813 12.433 -2.370 378 1HZ LYS 40 HZ1 LYS 40 -3.680 15.223 -3.213 379 2HZ LYS 40 HZ2 LYS 40 -2.791 13.888 -3.751 380 3HZ LYS 40 HZ3 LYS 40 -2.383 14.644 -2.294 381 H GLU 41 HN GLU 41 -6.645 9.066 -3.976 382 HA GLU 41 HA GLU 41 -8.785 8.553 -5.897 383 1HB GLU 41 HB2 GLU 41 -7.646 6.574 -6.483 384 2HB GLU 41 HB1 GLU 41 -6.372 7.753 -6.202 385 1HG GLU 41 HG2 GLU 41 -5.464 6.118 -4.983 386 2HG GLU 41 HG1 GLU 41 -6.584 6.679 -3.744 387 H THR 42 HN THR 42 -8.527 8.622 -2.675 388 HA THR 42 HA THR 42 -10.685 6.677 -2.353 389 HB THR 42 HB THR 42 -8.283 6.965 -0.550 390 HG1 THR 42 HG1 THR 42 -7.764 5.626 -2.197 391 1HG2 THR 42 1HG2 THR 42 -10.819 5.417 -0.183 392 2HG2 THR 42 2HG2 THR 42 -10.045 6.544 0.930 393 3HG2 THR 42 3HG2 THR 42 -9.312 4.969 0.617 394 H GLU 43 HN GLU 43 -9.867 9.795 -2.251 395 HA GLU 43 HA GLU 43 -10.374 11.008 0.073 396 1HB GLU 43 HB2 GLU 43 -11.771 12.703 -1.290 397 2HB GLU 43 HB1 GLU 43 -10.092 12.452 -1.732 398 1HG GLU 43 HG2 GLU 43 -11.189 10.668 -3.363 399 2HG GLU 43 HG1 GLU 43 -12.568 11.750 -3.190 400 H PHE 44 HN PHE 44 -13.086 10.192 -2.116 401 HA PHE 44 HA PHE 44 -14.889 10.313 0.162 402 1HB PHE 44 HB2 PHE 44 -16.661 10.114 -1.595 403 2HB PHE 44 HB1 PHE 44 -15.629 11.530 -1.755 404 HD1 PHE 44 HD1 PHE 44 -14.620 11.993 -3.782 405 HD2 PHE 44 HD2 PHE 44 -16.011 8.047 -3.003 406 HE1 PHE 44 HE1 PHE 44 -14.108 11.358 -6.105 407 HE2 PHE 44 HE2 PHE 44 -15.501 7.405 -5.322 408 HZ PHE 44 HZ PHE 44 -14.548 9.062 -6.877 409 H LYS 45 HN LYS 45 -13.305 7.985 -1.833 410 HA LYS 45 HA LYS 45 -15.131 5.893 -1.785 411 1HB LYS 45 HB2 LYS 45 -12.139 5.584 -1.613 412 2HB LYS 45 HB1 LYS 45 -13.294 4.450 -2.302 413 1HG LYS 45 HG2 LYS 45 -13.876 6.471 -3.864 414 2HG LYS 45 HG1 LYS 45 -12.260 7.011 -3.411 415 1HD LYS 45 HD2 LYS 45 -11.376 4.811 -4.144 416 2HD LYS 45 HD1 LYS 45 -12.996 4.384 -4.698 417 1HE LYS 45 HE2 LYS 45 -11.939 6.962 -5.666 418 2HE LYS 45 HE1 LYS 45 -11.116 5.521 -6.267 419 1HZ LYS 45 HZ1 LYS 45 -13.573 4.750 -6.679 420 2HZ LYS 45 HZ2 LYS 45 -12.767 5.724 -7.802 421 3HZ LYS 45 HZ3 LYS 45 -13.868 6.416 -6.720 422 H LYS 46 HN LYS 46 -12.402 6.328 0.526 423 HA LYS 46 HA LYS 46 -13.168 4.179 2.160 424 1HB LYS 46 HB2 LYS 46 -11.646 5.114 3.834 425 2HB LYS 46 HB1 LYS 46 -10.922 5.098 2.236 426 1HG LYS 46 HG2 LYS 46 -11.591 7.518 2.034 427 2HG LYS 46 HG1 LYS 46 -12.008 7.455 3.746 428 1HD LYS 46 HD2 LYS 46 -9.487 6.349 3.679 429 2HD LYS 46 HD1 LYS 46 -9.396 7.621 2.459 430 1HE LYS 46 HE2 LYS 46 -10.710 8.872 4.508 431 2HE LYS 46 HE1 LYS 46 -9.596 7.814 5.371 432 1HZ LYS 46 HZ1 LYS 46 -8.378 9.735 5.046 433 2HZ LYS 46 HZ2 LYS 46 -8.982 9.997 3.488 434 3HZ LYS 46 HZ3 LYS 46 -7.859 8.763 3.762 435 H ILE 47 HN ILE 47 -13.706 7.676 2.681 436 HA ILE 47 HA ILE 47 -14.991 7.577 5.095 437 HB ILE 47 HB ILE 47 -16.330 9.597 4.289 438 1HG1 ILE 47 2HG1 ILE 47 -14.765 10.394 2.145 439 2HG1 ILE 47 1HG1 ILE 47 -15.114 8.707 1.789 440 1HG2 ILE 47 1HG2 ILE 47 -13.933 9.402 5.375 441 2HG2 ILE 47 2HG2 ILE 47 -14.580 10.951 4.836 442 3HG2 ILE 47 3HG2 ILE 47 -13.435 10.072 3.822 443 1HD1 ILE 47 1HD1 ILE 47 -16.880 9.742 0.783 444 2HD1 ILE 47 2HD1 ILE 47 -16.959 11.024 1.991 445 3HD1 ILE 47 3HD1 ILE 47 -17.564 9.413 2.374 446 H LYS 48 HN LYS 48 -16.665 7.496 1.927 447 HA LYS 48 HA LYS 48 -19.235 7.109 2.838 448 1HB LYS 48 HB2 LYS 48 -17.868 5.988 0.388 449 2HB LYS 48 HB1 LYS 48 -19.596 5.837 0.675 450 1HG LYS 48 HG2 LYS 48 -18.715 8.574 0.967 451 2HG LYS 48 HG1 LYS 48 -18.289 7.917 -0.615 452 1HD LYS 48 HD2 LYS 48 -20.443 8.857 -0.863 453 2HD LYS 48 HD1 LYS 48 -20.688 7.111 -0.770 454 1HE LYS 48 HE2 LYS 48 -21.560 7.220 1.378 455 2HE LYS 48 HE1 LYS 48 -20.826 8.789 1.702 456 1HZ LYS 48 HZ1 LYS 48 -22.438 9.410 -0.317 457 2HZ LYS 48 HZ2 LYS 48 -22.907 9.503 1.307 458 3HZ LYS 48 HZ3 LYS 48 -23.331 8.152 0.381 459 H VAL 49 HN VAL 49 -16.612 4.823 2.543 460 HA VAL 49 HA VAL 49 -18.155 2.493 3.092 461 HB VAL 49 HB VAL 49 -15.180 2.855 3.447 462 1HG1 VAL 49 1HG1 VAL 49 -17.016 0.556 3.608 463 2HG1 VAL 49 2HG1 VAL 49 -15.457 0.823 4.389 464 3HG1 VAL 49 3HG1 VAL 49 -15.523 0.290 2.709 465 1HG2 VAL 49 1HG2 VAL 49 -16.536 3.211 1.110 466 2HG2 VAL 49 2HG2 VAL 49 -16.157 1.491 1.045 467 3HG2 VAL 49 3HG2 VAL 49 -14.861 2.672 1.233 468 H LEU 50 HN LEU 50 -16.370 4.779 5.072 469 HA LEU 50 HA LEU 50 -16.244 3.322 7.451 470 1HB LEU 50 HB2 LEU 50 -16.690 6.298 7.261 471 2HB LEU 50 HB1 LEU 50 -15.931 5.419 8.576 472 HG LEU 50 HG LEU 50 -14.806 5.706 5.792 473 1HD1 LEU 50 1HD1 LEU 50 -14.778 7.800 7.075 474 2HD1 LEU 50 2HD1 LEU 50 -13.156 7.162 6.811 475 3HD1 LEU 50 3HD1 LEU 50 -13.931 6.974 8.384 476 1HD2 LEU 50 1HD2 LEU 50 -12.743 4.892 7.280 477 2HD2 LEU 50 2HD2 LEU 50 -13.809 3.774 6.428 478 3HD2 LEU 50 3HD2 LEU 50 -14.050 4.085 8.146 479 H GLY 51 HN GLY 51 -18.884 5.020 5.946 480 1HA GLY 51 HA2 GLY 51 -20.587 4.392 8.274 481 2HA GLY 51 HA1 GLY 51 -20.906 5.693 7.134 482 H SER 52 HN SER 52 -19.780 2.626 5.993 483 HA SER 52 HA SER 52 -22.118 2.291 4.375 484 1HB SER 52 HB2 SER 52 -19.509 0.884 4.684 485 2HB SER 52 HB1 SER 52 -20.841 -0.011 3.955 486 HG SER 52 HG SER 52 -20.142 2.579 3.074 487 H GLY 53 HN GLY 53 -20.627 0.388 7.000 488 1HA GLY 53 HA2 GLY 53 -21.542 -1.093 8.495 489 2HA GLY 53 HA1 GLY 53 -23.062 -0.247 8.247 Start of MODEL 14 1 1H ARG 1 HT1 ARG 1 -6.934 -18.141 10.376 2 2H ARG 1 HT2 ARG 1 -8.158 -16.937 10.406 3 3H ARG 1 HT3 ARG 1 -6.553 -16.524 9.957 4 HA ARG 1 HA ARG 1 -6.823 -18.173 8.111 5 1HB ARG 1 HB2 ARG 1 -9.701 -17.710 8.924 6 2HB ARG 1 HB1 ARG 1 -9.190 -18.498 7.438 7 1HG ARG 1 HG2 ARG 1 -7.880 -20.027 9.186 8 2HG ARG 1 HG1 ARG 1 -9.219 -19.510 10.213 9 1HD ARG 1 HD2 ARG 1 -10.809 -20.527 8.873 10 2HD ARG 1 HD1 ARG 1 -9.762 -20.523 7.454 11 HE ARG 1 HE ARG 1 -8.481 -22.186 9.158 12 1HH1 ARG 1 1HH1 ARG 1 -11.764 -22.044 7.980 13 2HH1 ARG 1 2HH1 ARG 1 -12.007 -23.755 8.084 14 1HH2 ARG 1 1HH2 ARG 1 -8.800 -24.437 9.295 15 2HH2 ARG 1 2HH2 ARG 1 -10.325 -25.115 8.832 16 H ARG 2 HN ARG 2 -6.036 -16.738 6.711 17 HA ARG 2 HA ARG 2 -7.581 -14.275 6.221 18 1HB ARG 2 HB2 ARG 2 -4.615 -14.759 6.274 19 2HB ARG 2 HB1 ARG 2 -5.292 -13.408 5.377 20 1HG ARG 2 HG2 ARG 2 -5.389 -12.205 7.228 21 2HG ARG 2 HG1 ARG 2 -6.441 -13.410 7.975 22 1HD ARG 2 HD2 ARG 2 -4.714 -14.438 9.071 23 2HD ARG 2 HD1 ARG 2 -3.521 -13.966 7.861 24 HE ARG 2 HE ARG 2 -4.299 -12.489 10.202 25 1HH1 ARG 2 1HH1 ARG 2 -2.926 -12.261 7.001 26 2HH1 ARG 2 2HH1 ARG 2 -2.085 -10.785 7.332 27 1HH2 ARG 2 1HH2 ARG 2 -3.193 -10.547 10.638 28 2HH2 ARG 2 2HH2 ARG 2 -2.235 -9.811 9.396 29 H ARG 3 HN ARG 3 -8.401 -14.058 4.249 30 HA ARG 3 HA ARG 3 -7.513 -15.897 2.151 31 1HB ARG 3 HB2 ARG 3 -10.024 -14.303 2.583 32 2HB ARG 3 HB1 ARG 3 -9.638 -14.974 1.003 33 1HG ARG 3 HG2 ARG 3 -9.286 -17.110 2.717 34 2HG ARG 3 HG1 ARG 3 -10.695 -16.273 3.371 35 1HD ARG 3 HD2 ARG 3 -10.451 -16.890 0.444 36 2HD ARG 3 HD1 ARG 3 -11.078 -18.079 1.586 37 HE ARG 3 HE ARG 3 -12.412 -15.720 0.624 38 1HH1 ARG 3 1HH1 ARG 3 -12.238 -18.054 3.214 39 2HH1 ARG 3 2HH1 ARG 3 -13.872 -17.795 3.725 40 1HH2 ARG 3 1HH2 ARG 3 -14.562 -15.378 1.296 41 2HH2 ARG 3 2HH2 ARG 3 -15.191 -16.276 2.637 42 H HIS 4 HN HIS 4 -5.952 -13.560 2.879 43 HA HIS 4 HA HIS 4 -6.336 -11.441 1.060 44 1HB HIS 4 HB2 HIS 4 -4.568 -12.028 3.147 45 2HB HIS 4 HB1 HIS 4 -3.544 -11.854 1.728 46 HD1 HIS 4 HD1 HIS 4 -5.302 -9.592 0.372 47 HD2 HIS 4 HD2 HIS 4 -3.921 -9.602 4.291 48 HE1 HIS 4 HE1 HIS 4 -5.257 -7.178 1.074 49 HE2 HIS 4 HE2 HIS 4 -4.498 -7.216 3.476 50 H ILE 5 HN ILE 5 -4.265 -14.321 0.918 51 HA ILE 5 HA ILE 5 -3.409 -15.477 -0.853 52 HB ILE 5 HB ILE 5 -4.902 -13.619 -2.698 53 1HG1 ILE 5 2HG1 ILE 5 -6.444 -14.550 -1.002 54 2HG1 ILE 5 1HG1 ILE 5 -6.775 -15.175 -2.614 55 1HG2 ILE 5 1HG2 ILE 5 -3.191 -15.093 -3.690 56 2HG2 ILE 5 2HG2 ILE 5 -4.822 -15.470 -4.247 57 3HG2 ILE 5 3HG2 ILE 5 -4.046 -16.490 -3.033 58 1HD1 ILE 5 1HD1 ILE 5 -5.043 -16.695 -0.713 59 2HD1 ILE 5 2HD1 ILE 5 -5.965 -17.282 -2.096 60 3HD1 ILE 5 3HD1 ILE 5 -6.802 -16.793 -0.622 61 H VAL 6 HN VAL 6 -3.715 -12.139 -2.060 62 HA VAL 6 HA VAL 6 -1.016 -12.173 -3.063 63 HB VAL 6 HB VAL 6 -2.929 -9.844 -2.879 64 1HG1 VAL 6 1HG1 VAL 6 -1.445 -8.612 -4.031 65 2HG1 VAL 6 2HG1 VAL 6 -0.964 -9.966 -5.052 66 3HG1 VAL 6 3HG1 VAL 6 -0.266 -9.784 -3.443 67 1HG2 VAL 6 1HG2 VAL 6 -2.995 -10.558 -5.473 68 2HG2 VAL 6 2HG2 VAL 6 -4.157 -11.127 -4.274 69 3HG2 VAL 6 3HG2 VAL 6 -2.786 -12.141 -4.724 70 H ARG 7 HN ARG 7 0.327 -12.382 -1.269 71 HA ARG 7 HA ARG 7 1.009 -9.951 0.048 72 1HB ARG 7 HB2 ARG 7 -0.948 -10.636 1.405 73 2HB ARG 7 HB1 ARG 7 -0.134 -12.149 1.779 74 1HG ARG 7 HG2 ARG 7 0.903 -11.202 3.484 75 2HG ARG 7 HG1 ARG 7 1.619 -9.997 2.412 76 1HD ARG 7 HD2 ARG 7 -0.261 -8.545 2.675 77 2HD ARG 7 HD1 ARG 7 -1.165 -9.786 3.542 78 HE ARG 7 HE ARG 7 1.169 -9.323 4.972 79 1HH1 ARG 7 1HH1 ARG 7 -1.692 -7.554 4.038 80 2HH1 ARG 7 2HH1 ARG 7 -1.661 -6.524 5.429 81 1HH2 ARG 7 1HH2 ARG 7 1.211 -7.969 6.803 82 2HH2 ARG 7 2HH2 ARG 7 -0.013 -6.759 6.998 83 H LYS 8 HN LYS 8 1.236 -13.488 0.218 84 HA LYS 8 HA LYS 8 3.740 -13.652 1.444 85 1HB LYS 8 HB2 LYS 8 1.966 -15.453 -0.032 86 2HB LYS 8 HB1 LYS 8 3.667 -15.859 -0.203 87 1HG LYS 8 HG2 LYS 8 2.780 -15.278 2.540 88 2HG LYS 8 HG1 LYS 8 2.096 -16.728 1.803 89 1HD LYS 8 HD2 LYS 8 4.072 -17.421 2.903 90 2HD LYS 8 HD1 LYS 8 4.464 -17.371 1.184 91 1HE LYS 8 HE2 LYS 8 6.290 -16.307 2.095 92 2HE LYS 8 HE1 LYS 8 5.241 -14.940 1.723 93 1HZ LYS 8 HZ1 LYS 8 6.373 -15.300 4.091 94 2HZ LYS 8 HZ2 LYS 8 4.922 -16.125 4.360 95 3HZ LYS 8 HZ3 LYS 8 4.895 -14.500 3.892 96 H ARG 9 HN ARG 9 2.944 -13.783 -2.035 97 HA ARG 9 HA ARG 9 5.756 -13.580 -2.719 98 1HB ARG 9 HB2 ARG 9 4.829 -13.627 -5.091 99 2HB ARG 9 HB1 ARG 9 4.569 -15.064 -4.111 100 1HG ARG 9 HG2 ARG 9 2.422 -13.061 -3.991 101 2HG ARG 9 HG1 ARG 9 2.652 -13.840 -5.557 102 1HD ARG 9 HD2 ARG 9 2.668 -15.613 -3.195 103 2HD ARG 9 HD1 ARG 9 1.123 -14.863 -3.595 104 HE ARG 9 HE ARG 9 2.502 -16.909 -5.080 105 1HH1 ARG 9 1HH1 ARG 9 0.120 -14.361 -5.229 106 2HH1 ARG 9 2HH1 ARG 9 -0.691 -15.030 -6.605 107 1HH2 ARG 9 1HH2 ARG 9 1.436 -17.789 -6.890 108 2HH2 ARG 9 2HH2 ARG 9 0.055 -16.975 -7.548 109 H THR 10 HN THR 10 3.028 -11.490 -2.396 110 HA THR 10 HA THR 10 3.853 -9.430 -4.149 111 HB THR 10 HB THR 10 1.618 -9.931 -2.652 112 HG1 THR 10 HG1 THR 10 2.310 -7.412 -3.742 113 1HG2 THR 10 1HG2 THR 10 2.572 -8.983 -0.616 114 2HG2 THR 10 2HG2 THR 10 1.224 -8.016 -1.216 115 3HG2 THR 10 3HG2 THR 10 2.885 -7.472 -1.467 116 H LEU 11 HN LEU 11 4.268 -9.893 -0.651 117 HA LEU 11 HA LEU 11 5.542 -7.548 0.008 118 1HB LEU 11 HB2 LEU 11 6.723 -8.904 1.774 119 2HB LEU 11 HB1 LEU 11 4.974 -9.025 1.756 120 HG LEU 11 HG LEU 11 5.408 -11.161 0.313 121 1HD1 LEU 11 1HD1 LEU 11 7.565 -12.221 1.373 122 2HD1 LEU 11 2HD1 LEU 11 8.078 -10.537 1.463 123 3HD1 LEU 11 3HD1 LEU 11 7.655 -11.248 -0.095 124 1HD2 LEU 11 1HD2 LEU 11 4.513 -10.888 2.712 125 2HD2 LEU 11 2HD2 LEU 11 6.132 -11.380 3.210 126 3HD2 LEU 11 3HD2 LEU 11 5.147 -12.460 2.224 127 H ARG 12 HN ARG 12 6.734 -10.179 -1.895 128 HA ARG 12 HA ARG 12 9.485 -9.759 -1.588 129 1HB ARG 12 HB2 ARG 12 7.815 -11.441 -3.106 130 2HB ARG 12 HB1 ARG 12 8.825 -10.596 -4.271 131 1HG ARG 12 HG2 ARG 12 10.819 -11.397 -3.239 132 2HG ARG 12 HG1 ARG 12 9.912 -12.052 -1.874 133 1HD ARG 12 HD2 ARG 12 8.736 -13.228 -4.089 134 2HD ARG 12 HD1 ARG 12 10.456 -13.215 -4.476 135 HE ARG 12 HE ARG 12 9.999 -14.152 -1.833 136 1HH1 ARG 12 1HH1 ARG 12 9.825 -15.115 -5.182 137 2HH1 ARG 12 2HH1 ARG 12 10.045 -16.798 -4.840 138 1HH2 ARG 12 1HH2 ARG 12 10.288 -16.366 -1.380 139 2HH2 ARG 12 2HH2 ARG 12 10.307 -17.509 -2.681 140 H ARG 13 HN ARG 13 7.062 -8.115 -3.458 141 HA ARG 13 HA ARG 13 8.951 -6.665 -5.084 142 1HB ARG 13 HB2 ARG 13 5.974 -6.500 -4.655 143 2HB ARG 13 HB1 ARG 13 6.829 -5.271 -5.577 144 1HG ARG 13 HG2 ARG 13 7.760 -7.470 -6.796 145 2HG ARG 13 HG1 ARG 13 6.181 -8.060 -6.273 146 1HD ARG 13 HD2 ARG 13 6.072 -5.391 -7.436 147 2HD ARG 13 HD1 ARG 13 6.698 -6.602 -8.554 148 HE ARG 13 HE ARG 13 4.302 -7.417 -7.194 149 1HH1 ARG 13 1HH1 ARG 13 5.583 -5.692 -9.944 150 2HH1 ARG 13 2HH1 ARG 13 4.152 -5.895 -10.897 151 1HH2 ARG 13 1HH2 ARG 13 2.417 -7.685 -8.446 152 2HH2 ARG 13 2HH2 ARG 13 2.355 -7.026 -10.047 153 H LEU 14 HN LEU 14 6.700 -5.840 -2.476 154 HA LEU 14 HA LEU 14 7.429 -3.204 -2.060 155 1HB LEU 14 HB2 LEU 14 5.697 -4.918 -0.868 156 2HB LEU 14 HB1 LEU 14 6.911 -4.769 0.388 157 HG LEU 14 HG LEU 14 6.629 -2.254 0.193 158 1HD1 LEU 14 1HD1 LEU 14 4.482 -3.197 -1.645 159 2HD1 LEU 14 2HD1 LEU 14 5.565 -1.813 -1.791 160 3HD1 LEU 14 3HD1 LEU 14 4.209 -1.757 -0.665 161 1HD2 LEU 14 1HD2 LEU 14 4.190 -2.525 1.264 162 2HD2 LEU 14 2HD2 LEU 14 5.671 -2.959 2.118 163 3HD2 LEU 14 3HD2 LEU 14 4.717 -4.207 1.315 164 H LEU 15 HN LEU 15 8.982 -6.156 -0.915 165 HA LEU 15 HA LEU 15 10.912 -4.689 0.657 166 1HB LEU 15 HB2 LEU 15 11.781 -6.808 1.316 167 2HB LEU 15 HB1 LEU 15 10.031 -6.887 1.378 168 HG LEU 15 HG LEU 15 10.244 -7.938 -0.997 169 1HD1 LEU 15 1HD1 LEU 15 12.513 -9.391 -0.679 170 2HD1 LEU 15 2HD1 LEU 15 13.028 -7.815 -0.076 171 3HD1 LEU 15 3HD1 LEU 15 12.373 -7.964 -1.707 172 1HD2 LEU 15 1HD2 LEU 15 9.367 -9.154 0.869 173 2HD2 LEU 15 2HD2 LEU 15 10.977 -9.362 1.557 174 3HD2 LEU 15 3HD2 LEU 15 10.548 -10.178 0.053 175 H GLN 16 HN GLN 16 10.621 -5.650 -2.583 176 HA GLN 16 HA GLN 16 13.474 -5.878 -3.057 177 1HB GLN 16 HB2 GLN 16 11.014 -6.415 -4.564 178 2HB GLN 16 HB1 GLN 16 12.313 -5.738 -5.536 179 1HG GLN 16 HG2 GLN 16 13.788 -7.551 -4.519 180 2HG GLN 16 HG1 GLN 16 12.285 -8.298 -3.980 181 1HE2 GLN 16 1HE2 GLN 16 12.391 -10.086 -5.259 182 2HE2 GLN 16 2HE2 GLN 16 12.280 -10.041 -6.981 183 H GLU 17 HN GLU 17 10.954 -3.486 -3.318 184 HA GLU 17 HA GLU 17 12.638 -1.692 -4.875 185 1HB GLU 17 HB2 GLU 17 9.946 -2.059 -4.840 186 2HB GLU 17 HB1 GLU 17 10.101 -0.680 -3.760 187 1HG GLU 17 HG2 GLU 17 10.273 0.664 -5.501 188 2HG GLU 17 HG1 GLU 17 11.736 -0.179 -6.009 189 H ARG 18 HN ARG 18 12.611 -2.558 -1.751 190 HA ARG 18 HA ARG 18 12.777 0.102 -0.595 191 1HB ARG 18 HB2 ARG 18 12.890 -0.990 1.529 192 2HB ARG 18 HB1 ARG 18 11.643 -1.790 0.583 193 1HG ARG 18 HG2 ARG 18 12.638 -3.741 0.871 194 2HG ARG 18 HG1 ARG 18 14.118 -3.127 0.134 195 1HD ARG 18 HD2 ARG 18 15.134 -2.847 2.118 196 2HD ARG 18 HD1 ARG 18 13.673 -2.225 2.886 197 HE ARG 18 HE ARG 18 13.614 -5.057 2.378 198 1HH1 ARG 18 1HH1 ARG 18 14.561 -2.564 4.630 199 2HH1 ARG 18 2HH1 ARG 18 14.535 -3.620 6.003 200 1HH2 ARG 18 1HH2 ARG 18 13.580 -6.447 4.183 201 2HH2 ARG 18 2HH2 ARG 18 13.980 -5.823 5.748 202 H GLU 19 HN GLU 19 14.872 -2.451 -1.683 203 HA GLU 19 HA GLU 19 17.198 -1.001 -0.614 204 1HB GLU 19 HB2 GLU 19 18.451 -3.099 -0.925 205 2HB GLU 19 HB1 GLU 19 17.076 -3.305 0.150 206 1HG GLU 19 HG2 GLU 19 16.497 -5.047 -1.085 207 2HG GLU 19 HG1 GLU 19 16.067 -3.905 -2.358 208 H LEU 20 HN LEU 20 15.679 -0.340 -3.064 209 HA LEU 20 HA LEU 20 17.338 -1.106 -5.281 210 1HB LEU 20 HB2 LEU 20 14.785 -0.259 -5.102 211 2HB LEU 20 HB1 LEU 20 15.567 1.256 -5.511 212 HG LEU 20 HG LEU 20 15.763 -1.282 -7.133 213 1HD1 LEU 20 1HD1 LEU 20 13.516 -0.339 -7.193 214 2HD1 LEU 20 2HD1 LEU 20 14.336 -0.124 -8.740 215 3HD1 LEU 20 3HD1 LEU 20 14.181 1.236 -7.628 216 1HD2 LEU 20 1HD2 LEU 20 16.712 1.521 -7.714 217 2HD2 LEU 20 2HD2 LEU 20 16.796 0.150 -8.819 218 3HD2 LEU 20 3HD2 LEU 20 17.739 0.139 -7.329 219 H VAL 21 HN VAL 21 19.248 -0.321 -3.886 220 HA VAL 21 HA VAL 21 21.100 1.009 -3.944 221 HB VAL 21 HB VAL 21 19.434 2.939 -5.551 222 1HG1 VAL 21 1HG1 VAL 21 21.532 3.990 -6.154 223 2HG1 VAL 21 2HG1 VAL 21 22.423 2.827 -5.172 224 3HG1 VAL 21 3HG1 VAL 21 21.344 3.990 -4.401 225 1HG2 VAL 21 1HG2 VAL 21 21.123 1.978 -7.346 226 2HG2 VAL 21 2HG2 VAL 21 19.584 1.188 -7.001 227 3HG2 VAL 21 3HG2 VAL 21 21.072 0.576 -6.279 228 H GLU 22 HN GLU 22 18.033 2.716 -3.384 229 HA GLU 22 HA GLU 22 17.319 3.937 -1.599 230 1HB GLU 22 HB2 GLU 22 20.011 3.550 -0.299 231 2HB GLU 22 HB1 GLU 22 18.474 3.906 0.475 232 1HG GLU 22 HG2 GLU 22 17.672 1.664 -0.304 233 2HG GLU 22 HG1 GLU 22 19.326 1.328 -0.811 234 HA PRO 23 HA PRO 23 20.158 7.299 -3.335 235 1HB PRO 23 HB2 PRO 23 18.590 8.216 -5.329 236 2HB PRO 23 HB1 PRO 23 19.721 6.878 -5.559 237 1HG PRO 23 HG2 PRO 23 16.766 6.799 -5.085 238 2HG PRO 23 HG1 PRO 23 17.740 5.858 -6.229 239 1HD PRO 23 HD2 PRO 23 16.896 4.870 -3.837 240 2HD PRO 23 HD1 PRO 23 18.398 4.351 -4.625 241 H LEU 24 HN LEU 24 16.598 7.344 -3.191 242 HA LEU 24 HA LEU 24 16.452 9.211 -1.106 243 1HB LEU 24 HB2 LEU 24 15.735 11.207 -2.245 244 2HB LEU 24 HB1 LEU 24 17.326 10.752 -2.824 245 HG LEU 24 HG LEU 24 14.852 9.969 -4.336 246 1HD1 LEU 24 1HD1 LEU 24 16.326 12.365 -5.216 247 2HD1 LEU 24 2HD1 LEU 24 15.301 12.562 -3.795 248 3HD1 LEU 24 3HD1 LEU 24 14.606 11.986 -5.311 249 1HD2 LEU 24 1HD2 LEU 24 16.626 8.831 -5.245 250 2HD2 LEU 24 2HD2 LEU 24 17.783 10.106 -4.861 251 3HD2 LEU 24 3HD2 LEU 24 16.656 10.313 -6.202 252 H THR 25 HN THR 25 15.226 6.775 -1.829 253 HA THR 25 HA THR 25 12.436 7.609 -1.712 254 HB THR 25 HB THR 25 11.681 6.339 -3.517 255 HG1 THR 25 HG1 THR 25 13.043 4.805 -4.573 256 1HG2 THR 25 1HG2 THR 25 14.374 7.248 -4.495 257 2HG2 THR 25 2HG2 THR 25 12.959 8.287 -4.324 258 3HG2 THR 25 3HG2 THR 25 12.934 6.943 -5.467 259 HA PRO 26 HA PRO 26 13.122 4.541 1.584 260 1HB PRO 26 HB2 PRO 26 10.312 5.332 2.136 261 2HB PRO 26 HB1 PRO 26 11.695 5.246 3.234 262 1HG PRO 26 HG2 PRO 26 10.765 7.597 2.392 263 2HG PRO 26 HG1 PRO 26 12.506 7.319 2.587 264 1HD PRO 26 HD2 PRO 26 10.864 7.391 0.089 265 2HD PRO 26 HD1 PRO 26 12.506 8.001 0.378 266 H SER 27 HN SER 27 10.057 4.855 -0.211 267 HA SER 27 HA SER 27 9.634 1.977 -0.029 268 1HB SER 27 HB2 SER 27 7.450 2.511 -1.151 269 2HB SER 27 HB1 SER 27 7.684 3.328 0.393 270 HG SER 27 HG SER 27 6.921 4.788 -1.152 271 H GLY 28 HN GLY 28 9.428 4.374 -2.674 272 1HA GLY 28 HA2 GLY 28 11.019 2.623 -4.375 273 2HA GLY 28 HA1 GLY 28 9.357 2.888 -4.880 274 H GLU 29 HN GLU 29 8.889 5.475 -4.456 275 HA GLU 29 HA GLU 29 11.009 6.882 -5.941 276 1HB GLU 29 HB2 GLU 29 8.492 6.274 -6.908 277 2HB GLU 29 HB1 GLU 29 8.312 7.932 -6.351 278 1HG GLU 29 HG2 GLU 29 8.941 8.165 -8.566 279 2HG GLU 29 HG1 GLU 29 10.448 8.406 -7.682 280 H ALA 30 HN ALA 30 8.198 7.290 -3.806 281 HA ALA 30 HA ALA 30 9.505 8.936 -1.971 282 1HB ALA 30 HB1 ALA 30 7.639 10.727 -3.384 283 2HB ALA 30 HB2 ALA 30 9.152 10.378 -4.220 284 3HB ALA 30 HB3 ALA 30 9.180 11.079 -2.602 285 HA PRO 31 HA PRO 31 5.880 7.643 0.237 286 1HB PRO 31 HB2 PRO 31 6.382 9.999 1.966 287 2HB PRO 31 HB1 PRO 31 6.265 8.291 2.399 288 1HG PRO 31 HG2 PRO 31 8.622 9.545 2.369 289 2HG PRO 31 HG1 PRO 31 8.468 7.860 1.838 290 1HD PRO 31 HD2 PRO 31 8.733 10.350 0.201 291 2HD PRO 31 HD1 PRO 31 9.448 8.746 -0.060 292 H ASN 32 HN ASN 32 6.323 11.116 -0.338 293 HA ASN 32 HA ASN 32 3.849 12.130 0.113 294 1HB ASN 32 HB2 ASN 32 4.327 13.714 -1.819 295 2HB ASN 32 HB1 ASN 32 5.560 13.620 -0.565 296 1HD2 ASN 32 1HD2 ASN 32 4.704 12.665 -3.816 297 2HD2 ASN 32 2HD2 ASN 32 6.313 12.325 -4.346 298 H GLN 33 HN GLN 33 4.860 10.487 -2.879 299 HA GLN 33 HA GLN 33 2.554 10.843 -4.366 300 1HB GLN 33 HB2 GLN 33 3.258 9.087 -5.744 301 2HB GLN 33 HB1 GLN 33 4.736 9.785 -5.100 302 1HG GLN 33 HG2 GLN 33 4.363 7.886 -3.273 303 2HG GLN 33 HG1 GLN 33 3.521 7.130 -4.624 304 1HE2 GLN 33 1HE2 GLN 33 5.656 5.857 -3.681 305 2HE2 GLN 33 2HE2 GLN 33 7.000 6.000 -4.756 306 H ALA 34 HN ALA 34 3.082 8.770 -1.636 307 HA ALA 34 HA ALA 34 0.919 6.990 -2.051 308 1HB ALA 34 HB1 ALA 34 1.523 6.081 -0.072 309 2HB ALA 34 HB2 ALA 34 1.614 7.645 0.736 310 3HB ALA 34 HB3 ALA 34 2.955 7.092 -0.267 311 H LEU 35 HN LEU 35 1.254 9.803 0.091 312 HA LEU 35 HA LEU 35 -1.523 9.962 0.687 313 1HB LEU 35 HB2 LEU 35 0.360 12.300 0.817 314 2HB LEU 35 HB1 LEU 35 -1.026 11.956 1.834 315 HG LEU 35 HG LEU 35 0.961 9.867 2.074 316 1HD1 LEU 35 1HD1 LEU 35 1.898 12.665 2.144 317 2HD1 LEU 35 2HD1 LEU 35 2.782 11.176 1.812 318 3HD1 LEU 35 3HD1 LEU 35 2.409 11.628 3.476 319 1HD2 LEU 35 1HD2 LEU 35 0.757 10.501 4.474 320 2HD2 LEU 35 2HD2 LEU 35 -0.784 10.156 3.687 321 3HD2 LEU 35 3HD2 LEU 35 -0.300 11.826 3.984 322 H LEU 36 HN LEU 36 0.518 11.144 -1.849 323 HA LEU 36 HA LEU 36 -1.034 13.225 -2.848 324 1HB LEU 36 HB2 LEU 36 1.288 11.827 -3.624 325 2HB LEU 36 HB1 LEU 36 0.220 11.848 -5.014 326 HG LEU 36 HG LEU 36 0.498 14.439 -3.653 327 1HD1 LEU 36 1HD1 LEU 36 2.730 14.207 -3.390 328 2HD1 LEU 36 2HD1 LEU 36 2.737 14.609 -5.107 329 3HD1 LEU 36 3HD1 LEU 36 2.853 12.925 -4.595 330 1HD2 LEU 36 1HD2 LEU 36 0.940 13.746 -6.542 331 2HD2 LEU 36 2HD2 LEU 36 0.422 15.280 -5.843 332 3HD2 LEU 36 3HD2 LEU 36 -0.674 13.898 -5.849 333 H ARG 37 HN ARG 37 -1.126 9.743 -3.749 334 HA ARG 37 HA ARG 37 -3.584 10.353 -5.229 335 1HB ARG 37 HB2 ARG 37 -3.230 8.172 -6.332 336 2HB ARG 37 HB1 ARG 37 -1.885 9.281 -6.564 337 1HG ARG 37 HG2 ARG 37 -0.548 7.645 -5.899 338 2HG ARG 37 HG1 ARG 37 -1.214 7.857 -4.279 339 1HD ARG 37 HD2 ARG 37 -2.669 6.078 -4.502 340 2HD ARG 37 HD1 ARG 37 -2.662 6.159 -6.263 341 HE ARG 37 HE ARG 37 -0.124 5.461 -5.700 342 1HH1 ARG 37 1HH1 ARG 37 -3.200 4.179 -4.659 343 2HH1 ARG 37 2HH1 ARG 37 -2.603 2.566 -4.468 344 1HH2 ARG 37 1HH2 ARG 37 0.662 3.339 -5.450 345 2HH2 ARG 37 2HH2 ARG 37 -0.411 2.087 -4.916 346 H ILE 38 HN ILE 38 -2.625 8.948 -2.262 347 HA ILE 38 HA ILE 38 -4.691 6.960 -2.185 348 HB ILE 38 HB ILE 38 -2.917 8.130 -0.051 349 1HG1 ILE 38 2HG1 ILE 38 -3.072 5.293 -1.035 350 2HG1 ILE 38 1HG1 ILE 38 -2.108 6.506 -1.870 351 1HG2 ILE 38 1HG2 ILE 38 -5.067 6.037 0.243 352 2HG2 ILE 38 2HG2 ILE 38 -4.966 7.589 1.074 353 3HG2 ILE 38 3HG2 ILE 38 -3.792 6.321 1.428 354 1HD1 ILE 38 1HD1 ILE 38 -0.446 6.174 -0.453 355 2HD1 ILE 38 2HD1 ILE 38 -1.398 4.929 0.356 356 3HD1 ILE 38 3HD1 ILE 38 -1.487 6.604 0.904 357 H LEU 39 HN LEU 39 -4.296 10.128 -0.615 358 HA LEU 39 HA LEU 39 -6.898 10.107 0.535 359 1HB LEU 39 HB2 LEU 39 -4.706 11.578 0.992 360 2HB LEU 39 HB1 LEU 39 -5.575 12.699 -0.040 361 HG LEU 39 HG LEU 39 -7.502 12.601 1.505 362 1HD1 LEU 39 1HD1 LEU 39 -6.677 11.647 3.857 363 2HD1 LEU 39 2HD1 LEU 39 -5.794 10.557 2.787 364 3HD1 LEU 39 3HD1 LEU 39 -7.552 10.669 2.679 365 1HD2 LEU 39 1HD2 LEU 39 -6.036 13.549 3.538 366 2HD2 LEU 39 2HD2 LEU 39 -6.333 14.458 2.057 367 3HD2 LEU 39 3HD2 LEU 39 -4.819 13.578 2.262 368 H LYS 40 HN LYS 40 -5.762 10.674 -2.606 369 HA LYS 40 HA LYS 40 -8.090 12.286 -3.350 370 1HB LYS 40 HB2 LYS 40 -5.544 11.573 -4.790 371 2HB LYS 40 HB1 LYS 40 -6.891 12.368 -5.595 372 1HG LYS 40 HG2 LYS 40 -5.135 13.924 -4.851 373 2HG LYS 40 HG1 LYS 40 -6.714 14.266 -4.144 374 1HD LYS 40 HD2 LYS 40 -5.862 14.089 -2.091 375 2HD LYS 40 HD1 LYS 40 -5.299 12.456 -2.438 376 1HE LYS 40 HE2 LYS 40 -3.223 13.148 -2.417 377 2HE LYS 40 HE1 LYS 40 -3.564 14.247 -3.751 378 1HZ LYS 40 HZ1 LYS 40 -2.941 15.774 -2.227 379 2HZ LYS 40 HZ2 LYS 40 -3.342 14.802 -0.902 380 3HZ LYS 40 HZ3 LYS 40 -4.553 15.645 -1.727 381 H GLU 41 HN GLU 41 -6.583 9.177 -4.018 382 HA GLU 41 HA GLU 41 -8.716 8.469 -5.864 383 1HB GLU 41 HB2 GLU 41 -7.383 6.649 -6.495 384 2HB GLU 41 HB1 GLU 41 -6.219 7.923 -6.138 385 1HG GLU 41 HG2 GLU 41 -5.196 6.335 -4.957 386 2HG GLU 41 HG1 GLU 41 -6.392 6.740 -3.727 387 H THR 42 HN THR 42 -8.350 8.492 -2.605 388 HA THR 42 HA THR 42 -10.370 6.396 -2.281 389 HB THR 42 HB THR 42 -7.895 6.798 -0.601 390 HG1 THR 42 HG1 THR 42 -8.866 4.687 -2.202 391 1HG2 THR 42 1HG2 THR 42 -8.759 4.782 0.662 392 2HG2 THR 42 2HG2 THR 42 -10.338 5.165 -0.021 393 3HG2 THR 42 3HG2 THR 42 -9.522 6.330 1.020 394 H GLU 43 HN GLU 43 -9.794 9.564 -2.123 395 HA GLU 43 HA GLU 43 -10.347 10.660 0.265 396 1HB GLU 43 HB2 GLU 43 -11.882 12.300 -1.027 397 2HB GLU 43 HB1 GLU 43 -10.189 12.202 -1.471 398 1HG GLU 43 HG2 GLU 43 -11.126 10.411 -3.185 399 2HG GLU 43 HG1 GLU 43 -12.598 11.354 -2.965 400 H PHE 44 HN PHE 44 -13.000 9.719 -1.945 401 HA PHE 44 HA PHE 44 -14.806 9.652 0.340 402 1HB PHE 44 HB2 PHE 44 -15.284 9.521 -2.639 403 2HB PHE 44 HB1 PHE 44 -16.564 9.343 -1.444 404 HD1 PHE 44 HD1 PHE 44 -16.789 11.275 0.278 405 HD2 PHE 44 HD2 PHE 44 -14.757 11.615 -3.446 406 HE1 PHE 44 HE1 PHE 44 -17.048 13.720 0.364 407 HE2 PHE 44 HE2 PHE 44 -15.012 14.061 -3.367 408 HZ PHE 44 HZ PHE 44 -16.158 15.117 -1.460 409 H LYS 45 HN LYS 45 -13.259 7.496 -1.961 410 HA LYS 45 HA LYS 45 -14.794 5.261 -1.928 411 1HB LYS 45 HB2 LYS 45 -11.799 5.236 -1.539 412 2HB LYS 45 HB1 LYS 45 -12.779 3.952 -2.232 413 1HG LYS 45 HG2 LYS 45 -12.302 6.680 -3.417 414 2HG LYS 45 HG1 LYS 45 -11.623 5.150 -3.975 415 1HD LYS 45 HD2 LYS 45 -13.724 4.369 -4.711 416 2HD LYS 45 HD1 LYS 45 -14.588 5.631 -3.832 417 1HE LYS 45 HE2 LYS 45 -14.324 7.123 -5.485 418 2HE LYS 45 HE1 LYS 45 -12.647 6.657 -5.762 419 1HZ LYS 45 HZ1 LYS 45 -14.606 4.703 -6.607 420 2HZ LYS 45 HZ2 LYS 45 -13.223 5.266 -7.402 421 3HZ LYS 45 HZ3 LYS 45 -14.656 6.163 -7.462 422 H LYS 46 HN LYS 46 -12.169 5.718 0.460 423 HA LYS 46 HA LYS 46 -12.892 3.579 2.086 424 1HB LYS 46 HB2 LYS 46 -11.464 4.541 3.777 425 2HB LYS 46 HB1 LYS 46 -10.722 4.763 2.199 426 1HG LYS 46 HG2 LYS 46 -11.377 7.076 2.160 427 2HG LYS 46 HG1 LYS 46 -12.286 6.880 3.660 428 1HD LYS 46 HD2 LYS 46 -10.442 7.030 4.934 429 2HD LYS 46 HD1 LYS 46 -9.487 6.034 3.835 430 1HE LYS 46 HE2 LYS 46 -8.872 7.848 2.524 431 2HE LYS 46 HE1 LYS 46 -10.224 8.834 3.082 432 1HZ LYS 46 HZ1 LYS 46 -9.101 9.502 4.900 433 2HZ LYS 46 HZ2 LYS 46 -7.741 9.130 3.965 434 3HZ LYS 46 HZ3 LYS 46 -8.308 8.023 5.111 435 H ILE 47 HN ILE 47 -13.902 6.980 2.270 436 HA ILE 47 HA ILE 47 -15.233 6.968 4.678 437 HB ILE 47 HB ILE 47 -16.153 8.393 2.178 438 1HG1 ILE 47 2HG1 ILE 47 -13.804 8.875 2.635 439 2HG1 ILE 47 1HG1 ILE 47 -14.795 10.283 3.008 440 1HG2 ILE 47 1HG2 ILE 47 -17.652 9.491 3.418 441 2HG2 ILE 47 2HG2 ILE 47 -16.515 9.722 4.746 442 3HG2 ILE 47 3HG2 ILE 47 -17.419 8.214 4.612 443 1HD1 ILE 47 1HD1 ILE 47 -13.633 8.330 4.977 444 2HD1 ILE 47 2HD1 ILE 47 -14.710 9.664 5.392 445 3HD1 ILE 47 3HD1 ILE 47 -13.121 9.994 4.702 446 H LYS 48 HN LYS 48 -16.677 6.318 1.481 447 HA LYS 48 HA LYS 48 -19.216 5.614 2.365 448 1HB LYS 48 HB2 LYS 48 -17.756 4.401 0.010 449 2HB LYS 48 HB1 LYS 48 -19.497 4.475 0.238 450 1HG LYS 48 HG2 LYS 48 -17.851 6.972 0.112 451 2HG LYS 48 HG1 LYS 48 -18.394 6.155 -1.354 452 1HD LYS 48 HD2 LYS 48 -20.038 7.777 -0.910 453 2HD LYS 48 HD1 LYS 48 -20.733 6.255 -0.348 454 1HE LYS 48 HE2 LYS 48 -20.927 7.038 1.724 455 2HE LYS 48 HE1 LYS 48 -19.228 7.509 1.759 456 1HZ LYS 48 HZ1 LYS 48 -20.903 9.343 2.069 457 2HZ LYS 48 HZ2 LYS 48 -21.304 9.156 0.436 458 3HZ LYS 48 HZ3 LYS 48 -19.735 9.610 0.875 459 H VAL 49 HN VAL 49 -16.290 3.681 2.031 460 HA VAL 49 HA VAL 49 -17.447 1.179 2.639 461 HB VAL 49 HB VAL 49 -14.600 2.023 3.190 462 1HG1 VAL 49 1HG1 VAL 49 -14.802 -0.040 4.186 463 2HG1 VAL 49 2HG1 VAL 49 -14.330 -0.502 2.550 464 3HG1 VAL 49 3HG1 VAL 49 -16.022 -0.595 3.039 465 1HG2 VAL 49 1HG2 VAL 49 -15.799 2.198 0.760 466 2HG2 VAL 49 2HG2 VAL 49 -15.188 0.544 0.723 467 3HG2 VAL 49 3HG2 VAL 49 -14.081 1.886 1.007 468 H LEU 50 HN LEU 50 -15.935 3.654 4.659 469 HA LEU 50 HA LEU 50 -15.981 2.220 7.075 470 1HB LEU 50 HB2 LEU 50 -16.131 5.200 6.619 471 2HB LEU 50 HB1 LEU 50 -15.779 4.430 8.155 472 HG LEU 50 HG LEU 50 -14.054 3.848 5.783 473 1HD1 LEU 50 1HD1 LEU 50 -14.252 6.402 7.254 474 2HD1 LEU 50 2HD1 LEU 50 -13.699 6.074 5.612 475 3HD1 LEU 50 3HD1 LEU 50 -12.628 5.768 6.980 476 1HD2 LEU 50 1HD2 LEU 50 -12.382 3.451 7.476 477 2HD2 LEU 50 2HD2 LEU 50 -13.842 2.539 7.861 478 3HD2 LEU 50 3HD2 LEU 50 -13.474 4.028 8.735 479 H GLY 51 HN GLY 51 -18.430 4.022 5.371 480 1HA GLY 51 HA2 GLY 51 -20.268 3.771 7.647 481 2HA GLY 51 HA1 GLY 51 -20.529 4.765 6.221 482 H SER 52 HN SER 52 -19.384 1.501 5.937 483 HA SER 52 HA SER 52 -21.449 0.744 4.181 484 1HB SER 52 HB2 SER 52 -20.394 -1.355 4.066 485 2HB SER 52 HB1 SER 52 -19.075 -0.243 4.434 486 HG SER 52 HG SER 52 -18.862 -1.113 6.355 487 H GLY 53 HN GLY 53 -20.773 -0.367 7.507 488 1HA GLY 53 HA2 GLY 53 -23.518 -1.387 7.668 489 2HA GLY 53 HA1 GLY 53 -22.209 -1.775 8.774 Start of MODEL 15 1 1H ARG 1 HT1 ARG 1 18.548 14.618 27.725 2 2H ARG 1 HT2 ARG 1 19.550 15.735 28.560 3 3H ARG 1 HT3 ARG 1 18.059 16.253 27.884 4 HA ARG 1 HA ARG 1 18.103 15.905 30.324 5 1HB ARG 1 HB2 ARG 1 16.199 14.749 28.339 6 2HB ARG 1 HB1 ARG 1 15.915 14.415 30.042 7 1HG ARG 1 HG2 ARG 1 15.583 16.672 30.550 8 2HG ARG 1 HG1 ARG 1 16.325 17.211 29.043 9 1HD ARG 1 HD2 ARG 1 14.467 16.470 27.765 10 2HD ARG 1 HD1 ARG 1 13.788 15.596 29.137 11 HE ARG 1 HE ARG 1 13.522 18.398 28.562 12 1HH1 ARG 1 1HH1 ARG 1 13.463 15.981 31.078 13 2HH1 ARG 1 2HH1 ARG 1 12.470 16.926 32.136 14 1HH2 ARG 1 1HH2 ARG 1 12.215 19.642 29.951 15 2HH2 ARG 1 2HH2 ARG 1 11.760 19.004 31.495 16 H ARG 2 HN ARG 2 17.715 12.860 28.498 17 HA ARG 2 HA ARG 2 18.803 11.427 30.824 18 1HB ARG 2 HB2 ARG 2 17.107 10.408 28.538 19 2HB ARG 2 HB1 ARG 2 17.723 9.420 29.855 20 1HG ARG 2 HG2 ARG 2 16.138 11.811 30.585 21 2HG ARG 2 HG1 ARG 2 15.277 10.453 29.857 22 1HD ARG 2 HD2 ARG 2 16.734 9.107 31.637 23 2HD ARG 2 HD1 ARG 2 16.650 10.656 32.476 24 HE ARG 2 HE ARG 2 14.077 10.190 31.798 25 1HH1 ARG 2 1HH1 ARG 2 16.489 8.274 33.439 26 2HH1 ARG 2 2HH1 ARG 2 15.333 7.420 34.404 27 1HH2 ARG 2 1HH2 ARG 2 12.556 9.068 33.068 28 2HH2 ARG 2 2HH2 ARG 2 13.101 7.869 34.193 29 H ARG 3 HN ARG 3 18.670 10.789 27.318 30 HA ARG 3 HA ARG 3 21.558 10.695 27.163 31 1HB ARG 3 HB2 ARG 3 20.236 8.347 27.791 32 2HB ARG 3 HB1 ARG 3 20.447 8.231 26.050 33 1HG ARG 3 HG2 ARG 3 22.422 7.334 26.624 34 2HG ARG 3 HG1 ARG 3 22.915 9.023 26.760 35 1HD ARG 3 HD2 ARG 3 21.798 8.507 29.219 36 2HD ARG 3 HD1 ARG 3 22.599 6.986 28.827 37 HE ARG 3 HE ARG 3 23.850 9.500 29.449 38 1HH1 ARG 3 1HH1 ARG 3 24.248 6.412 27.873 39 2HH1 ARG 3 2HH1 ARG 3 25.975 6.435 27.986 40 1HH2 ARG 3 1HH2 ARG 3 26.122 9.533 29.599 41 2HH2 ARG 3 2HH2 ARG 3 27.040 8.206 28.966 42 H HIS 4 HN HIS 4 20.437 12.547 25.870 43 HA HIS 4 HA HIS 4 19.585 11.647 23.223 44 1HB HIS 4 HB2 HIS 4 19.287 14.142 24.799 45 2HB HIS 4 HB1 HIS 4 19.427 14.332 23.055 46 HD1 HIS 4 HD1 HIS 4 17.284 12.495 25.591 47 HD2 HIS 4 HD2 HIS 4 17.112 13.909 21.687 48 HE1 HIS 4 HE1 HIS 4 14.908 12.136 24.850 49 HE2 HIS 4 HE2 HIS 4 14.806 13.080 22.517 50 H ILE 5 HN ILE 5 22.287 11.190 23.891 51 HA ILE 5 HA ILE 5 23.820 13.267 22.538 52 HB ILE 5 HB ILE 5 24.845 10.664 23.665 53 1HG1 ILE 5 2HG1 ILE 5 25.439 12.999 25.266 54 2HG1 ILE 5 1HG1 ILE 5 23.699 12.797 25.094 55 1HG2 ILE 5 1HG2 ILE 5 26.113 12.345 22.005 56 2HG2 ILE 5 2HG2 ILE 5 26.937 11.414 23.255 57 3HG2 ILE 5 3HG2 ILE 5 26.509 13.099 23.549 58 1HD1 ILE 5 1HD1 ILE 5 25.110 11.629 27.017 59 2HD1 ILE 5 2HD1 ILE 5 25.260 10.385 25.775 60 3HD1 ILE 5 3HD1 ILE 5 23.664 10.901 26.319 61 H VAL 6 HN VAL 6 23.310 9.752 22.223 62 HA VAL 6 HA VAL 6 24.280 9.888 19.463 63 HB VAL 6 HB VAL 6 25.224 8.129 20.896 64 1HG1 VAL 6 1HG1 VAL 6 22.838 6.444 20.910 65 2HG1 VAL 6 2HG1 VAL 6 22.697 7.882 21.921 66 3HG1 VAL 6 3HG1 VAL 6 24.022 6.749 22.182 67 1HG2 VAL 6 1HG2 VAL 6 24.453 7.890 18.323 68 2HG2 VAL 6 2HG2 VAL 6 23.606 6.517 19.035 69 3HG2 VAL 6 3HG2 VAL 6 25.357 6.653 19.196 70 H ARG 7 HN ARG 7 22.135 11.170 19.209 71 HA ARG 7 HA ARG 7 20.249 9.358 17.960 72 1HB ARG 7 HB2 ARG 7 19.724 10.605 20.516 73 2HB ARG 7 HB1 ARG 7 18.564 11.148 19.312 74 1HG ARG 7 HG2 ARG 7 19.124 8.239 19.487 75 2HG ARG 7 HG1 ARG 7 18.162 8.984 20.765 76 1HD ARG 7 HD2 ARG 7 17.031 10.044 18.520 77 2HD ARG 7 HD1 ARG 7 17.483 8.431 17.968 78 HE ARG 7 HE ARG 7 16.111 8.446 20.493 79 1HH1 ARG 7 1HH1 ARG 7 15.720 8.406 17.025 80 2HH1 ARG 7 2HH1 ARG 7 14.147 7.686 17.085 81 1HH2 ARG 7 1HH2 ARG 7 14.042 7.499 20.574 82 2HH2 ARG 7 2HH2 ARG 7 13.194 7.171 19.100 83 H LYS 8 HN LYS 8 20.520 12.778 18.960 84 HA LYS 8 HA LYS 8 19.160 13.915 16.848 85 1HB LYS 8 HB2 LYS 8 20.540 15.963 17.287 86 2HB LYS 8 HB1 LYS 8 19.775 15.275 18.712 87 1HG LYS 8 HG2 LYS 8 21.950 14.142 19.221 88 2HG LYS 8 HG1 LYS 8 22.665 15.080 17.907 89 1HD LYS 8 HD2 LYS 8 21.391 17.018 19.332 90 2HD LYS 8 HD1 LYS 8 21.886 15.907 20.611 91 1HE LYS 8 HE2 LYS 8 24.126 16.039 19.039 92 2HE LYS 8 HE1 LYS 8 23.492 17.682 18.933 93 1HZ LYS 8 HZ1 LYS 8 25.015 17.468 20.782 94 2HZ LYS 8 HZ2 LYS 8 24.098 16.209 21.441 95 3HZ LYS 8 HZ3 LYS 8 23.454 17.770 21.358 96 H ARG 9 HN ARG 9 22.608 13.066 17.015 97 HA ARG 9 HA ARG 9 23.146 14.036 14.374 98 1HB ARG 9 HB2 ARG 9 24.770 13.743 16.396 99 2HB ARG 9 HB1 ARG 9 24.908 12.089 15.815 100 1HG ARG 9 HG2 ARG 9 25.250 14.190 13.781 101 2HG ARG 9 HG1 ARG 9 26.504 14.099 15.020 102 1HD ARG 9 HD2 ARG 9 26.623 11.620 14.525 103 2HD ARG 9 HD1 ARG 9 25.614 11.945 13.116 104 HE ARG 9 HE ARG 9 28.406 12.492 13.398 105 1HH1 ARG 9 1HH1 ARG 9 25.475 13.532 11.816 106 2HH1 ARG 9 2HH1 ARG 9 26.304 14.256 10.479 107 1HH2 ARG 9 1HH2 ARG 9 29.499 13.444 11.640 108 2HH2 ARG 9 2HH2 ARG 9 28.589 14.205 10.379 109 H THR 10 HN THR 10 21.866 11.151 15.672 110 HA THR 10 HA THR 10 22.644 9.511 13.418 111 HB THR 10 HB THR 10 20.758 8.933 15.694 112 HG1 THR 10 HG1 THR 10 22.505 8.580 16.776 113 1HG2 THR 10 1HG2 THR 10 21.577 6.529 14.958 114 2HG2 THR 10 2HG2 THR 10 21.673 7.336 13.390 115 3HG2 THR 10 3HG2 THR 10 20.144 7.295 14.268 116 H LEU 11 HN LEU 11 20.054 11.600 14.277 117 HA LEU 11 HA LEU 11 17.920 10.490 12.864 118 1HB LEU 11 HB2 LEU 11 18.666 13.186 13.815 119 2HB LEU 11 HB1 LEU 11 17.489 13.138 12.516 120 HG LEU 11 HG LEU 11 16.015 11.740 13.871 121 1HD1 LEU 11 1HD1 LEU 11 17.772 12.137 16.248 122 2HD1 LEU 11 2HD1 LEU 11 18.073 10.787 15.154 123 3HD1 LEU 11 3HD1 LEU 11 16.515 10.933 15.967 124 1HD2 LEU 11 1HD2 LEU 11 15.266 13.413 15.351 125 2HD2 LEU 11 2HD2 LEU 11 16.029 14.272 14.013 126 3HD2 LEU 11 3HD2 LEU 11 16.887 14.080 15.541 127 H ARG 12 HN ARG 12 20.876 11.420 11.667 128 HA ARG 12 HA ARG 12 19.939 12.318 9.079 129 1HB ARG 12 HB2 ARG 12 22.414 12.421 10.613 130 2HB ARG 12 HB1 ARG 12 22.687 11.956 8.938 131 1HG ARG 12 HG2 ARG 12 20.878 14.233 9.267 132 2HG ARG 12 HG1 ARG 12 22.521 14.514 9.849 133 1HD ARG 12 HD2 ARG 12 22.681 13.169 7.349 134 2HD ARG 12 HD1 ARG 12 21.557 14.515 7.175 135 HE ARG 12 HE ARG 12 23.304 15.984 7.456 136 1HH1 ARG 12 1HH1 ARG 12 24.365 12.757 8.266 137 2HH1 ARG 12 2HH1 ARG 12 26.037 13.195 8.351 138 1HH2 ARG 12 1HH2 ARG 12 25.503 16.559 7.570 139 2HH2 ARG 12 2HH2 ARG 12 26.684 15.352 7.957 140 H ARG 13 HN ARG 13 20.572 9.384 10.610 141 HA ARG 13 HA ARG 13 21.683 7.970 8.388 142 1HB ARG 13 HB2 ARG 13 21.428 5.996 9.720 143 2HB ARG 13 HB1 ARG 13 21.971 7.290 10.777 144 1HG ARG 13 HG2 ARG 13 20.228 6.996 12.105 145 2HG ARG 13 HG1 ARG 13 19.113 7.224 10.758 146 1HD ARG 13 HD2 ARG 13 19.997 4.711 10.270 147 2HD ARG 13 HD1 ARG 13 20.072 4.750 12.031 148 HE ARG 13 HE ARG 13 17.588 5.723 10.967 149 1HH1 ARG 13 1HH1 ARG 13 19.357 2.875 11.939 150 2HH1 ARG 13 2HH1 ARG 13 17.931 1.942 12.247 151 1HH2 ARG 13 1HH2 ARG 13 15.711 4.496 11.372 152 2HH2 ARG 13 2HH2 ARG 13 15.861 2.861 11.925 153 H LEU 14 HN LEU 14 18.469 8.674 9.552 154 HA LEU 14 HA LEU 14 17.131 6.734 7.943 155 1HB LEU 14 HB2 LEU 14 16.426 8.747 9.886 156 2HB LEU 14 HB1 LEU 14 15.336 8.815 8.515 157 HG LEU 14 HG LEU 14 15.915 6.276 10.033 158 1HD1 LEU 14 1HD1 LEU 14 14.872 7.478 11.684 159 2HD1 LEU 14 2HD1 LEU 14 13.481 6.791 10.846 160 3HD1 LEU 14 3HD1 LEU 14 13.956 8.463 10.543 161 1HD2 LEU 14 1HD2 LEU 14 14.981 5.507 8.122 162 2HD2 LEU 14 2HD2 LEU 14 14.201 7.045 7.753 163 3HD2 LEU 14 3HD2 LEU 14 13.489 5.959 8.946 164 H LEU 15 HN LEU 15 17.447 10.285 7.678 165 HA LEU 15 HA LEU 15 16.127 10.540 5.232 166 1HB LEU 15 HB2 LEU 15 17.373 12.693 5.022 167 2HB LEU 15 HB1 LEU 15 16.504 12.488 6.530 168 HG LEU 15 HG LEU 15 18.890 11.594 7.331 169 1HD1 LEU 15 1HD1 LEU 15 20.709 12.480 6.256 170 2HD1 LEU 15 2HD1 LEU 15 19.778 13.785 5.520 171 3HD1 LEU 15 3HD1 LEU 15 19.656 12.145 4.882 172 1HD2 LEU 15 1HD2 LEU 15 17.830 13.308 8.523 173 2HD2 LEU 15 2HD2 LEU 15 17.858 14.406 7.144 174 3HD2 LEU 15 3HD2 LEU 15 19.355 14.018 7.992 175 H GLN 16 HN GLN 16 19.495 9.830 5.963 176 HA GLN 16 HA GLN 16 20.346 10.019 3.227 177 1HB GLN 16 HB2 GLN 16 21.601 9.268 5.817 178 2HB GLN 16 HB1 GLN 16 22.365 8.686 4.345 179 1HG GLN 16 HG2 GLN 16 21.655 11.570 4.594 180 2HG GLN 16 HG1 GLN 16 23.092 10.946 5.403 181 1HE2 GLN 16 1HE2 GLN 16 24.903 10.795 4.269 182 2HE2 GLN 16 2HE2 GLN 16 25.028 10.927 2.551 183 H GLU 17 HN GLU 17 19.006 7.545 5.244 184 HA GLU 17 HA GLU 17 19.970 5.305 3.783 185 1HB GLU 17 HB2 GLU 17 18.031 5.792 5.948 186 2HB GLU 17 HB1 GLU 17 17.665 4.403 4.933 187 1HG GLU 17 HG2 GLU 17 20.434 4.341 5.571 188 2HG GLU 17 HG1 GLU 17 19.519 4.600 7.056 189 H ARG 18 HN ARG 18 17.003 7.228 3.644 190 HA ARG 18 HA ARG 18 15.444 5.774 1.937 191 1HB ARG 18 HB2 ARG 18 15.833 8.765 1.765 192 2HB ARG 18 HB1 ARG 18 14.421 7.860 1.240 193 1HG ARG 18 HG2 ARG 18 14.025 7.190 3.583 194 2HG ARG 18 HG1 ARG 18 15.388 8.197 4.071 195 1HD ARG 18 HD2 ARG 18 14.029 10.012 2.679 196 2HD ARG 18 HD1 ARG 18 12.681 8.975 3.142 197 HE ARG 18 HE ARG 18 13.957 9.348 5.481 198 1HH1 ARG 18 1HH1 ARG 18 12.864 11.574 3.024 199 2HH1 ARG 18 2HH1 ARG 18 12.596 12.869 4.141 200 1HH2 ARG 18 1HH2 ARG 18 13.603 11.050 6.950 201 2HH2 ARG 18 2HH2 ARG 18 13.015 12.572 6.370 202 H GLU 19 HN GLU 19 18.380 7.480 1.173 203 HA GLU 19 HA GLU 19 18.138 7.792 -1.572 204 1HB GLU 19 HB2 GLU 19 20.504 7.320 0.218 205 2HB GLU 19 HB1 GLU 19 20.705 7.470 -1.521 206 1HG GLU 19 HG2 GLU 19 19.188 9.649 -0.994 207 2HG GLU 19 HG1 GLU 19 20.118 9.513 0.498 208 H LEU 20 HN LEU 20 18.860 4.911 0.292 209 HA LEU 20 HA LEU 20 18.713 3.358 -2.196 210 1HB LEU 20 HB2 LEU 20 20.670 2.788 0.027 211 2HB LEU 20 HB1 LEU 20 20.509 1.904 -1.480 212 HG LEU 20 HG LEU 20 20.995 4.682 -2.044 213 1HD1 LEU 20 1HD1 LEU 20 22.050 4.783 0.136 214 2HD1 LEU 20 2HD1 LEU 20 23.270 4.841 -1.136 215 3HD1 LEU 20 3HD1 LEU 20 23.005 3.348 -0.236 216 1HD2 LEU 20 1HD2 LEU 20 21.493 2.317 -3.223 217 2HD2 LEU 20 2HD2 LEU 20 23.080 2.655 -2.533 218 3HD2 LEU 20 3HD2 LEU 20 22.335 3.811 -3.637 219 H VAL 21 HN VAL 21 16.468 3.238 -1.294 220 HA VAL 21 HA VAL 21 16.167 0.733 0.105 221 HB VAL 21 HB VAL 21 15.107 3.280 1.342 222 1HG1 VAL 21 1HG1 VAL 21 13.393 1.571 1.444 223 2HG1 VAL 21 2HG1 VAL 21 14.093 1.811 3.045 224 3HG1 VAL 21 3HG1 VAL 21 14.553 0.407 2.082 225 1HG2 VAL 21 1HG2 VAL 21 17.052 1.199 2.327 226 2HG2 VAL 21 2HG2 VAL 21 16.379 2.488 3.324 227 3HG2 VAL 21 3HG2 VAL 21 17.399 2.883 1.943 228 H GLU 22 HN GLU 22 14.410 3.656 -0.939 229 HA GLU 22 HA GLU 22 12.917 2.373 -2.920 230 1HB GLU 22 HB2 GLU 22 11.940 1.859 -0.300 231 2HB GLU 22 HB1 GLU 22 10.800 2.943 -1.085 232 1HG GLU 22 HG2 GLU 22 11.774 0.337 -2.234 233 2HG GLU 22 HG1 GLU 22 10.246 0.564 -1.383 234 HA PRO 23 HA PRO 23 11.066 6.715 -2.205 235 1HB PRO 23 HB2 PRO 23 11.439 8.014 0.111 236 2HB PRO 23 HB1 PRO 23 10.188 6.776 -0.065 237 1HG PRO 23 HG2 PRO 23 12.900 6.569 1.183 238 2HG PRO 23 HG1 PRO 23 11.355 5.907 1.746 239 1HD PRO 23 HD2 PRO 23 13.254 4.451 0.401 240 2HD PRO 23 HD1 PRO 23 11.524 4.060 0.409 241 H LEU 24 HN LEU 24 13.448 6.308 -3.368 242 HA LEU 24 HA LEU 24 15.220 8.468 -2.466 243 1HB LEU 24 HB2 LEU 24 16.812 7.428 -4.156 244 2HB LEU 24 HB1 LEU 24 16.472 6.503 -2.706 245 HG LEU 24 HG LEU 24 14.782 5.935 -5.078 246 1HD1 LEU 24 1HD1 LEU 24 17.716 5.598 -5.017 247 2HD1 LEU 24 2HD1 LEU 24 16.620 5.789 -6.385 248 3HD1 LEU 24 3HD1 LEU 24 16.769 4.223 -5.588 249 1HD2 LEU 24 1HD2 LEU 24 14.981 4.849 -2.626 250 2HD2 LEU 24 2HD2 LEU 24 16.122 3.831 -3.505 251 3HD2 LEU 24 3HD2 LEU 24 14.449 3.954 -4.050 252 H THR 25 HN THR 25 13.221 7.390 -5.113 253 HA THR 25 HA THR 25 14.137 9.304 -7.015 254 HB THR 25 HB THR 25 12.299 8.579 -8.378 255 HG1 THR 25 HG1 THR 25 11.252 7.381 -6.031 256 1HG2 THR 25 1HG2 THR 25 12.503 6.180 -8.397 257 2HG2 THR 25 2HG2 THR 25 13.187 6.196 -6.770 258 3HG2 THR 25 3HG2 THR 25 14.082 6.912 -8.112 259 HA PRO 26 HA PRO 26 12.127 12.789 -4.963 260 1HB PRO 26 HB2 PRO 26 12.860 14.086 -7.534 261 2HB PRO 26 HB1 PRO 26 13.186 14.606 -5.877 262 1HG PRO 26 HG2 PRO 26 15.127 13.586 -7.389 263 2HG PRO 26 HG1 PRO 26 15.025 13.208 -5.659 264 1HD PRO 26 HD2 PRO 26 14.260 11.535 -8.018 265 2HD PRO 26 HD1 PRO 26 15.032 11.052 -6.494 266 H SER 27 HN SER 27 11.520 11.600 -8.207 267 HA SER 27 HA SER 27 8.732 12.486 -7.947 268 1HB SER 27 HB2 SER 27 10.638 13.067 -10.166 269 2HB SER 27 HB1 SER 27 8.961 12.727 -10.591 270 HG SER 27 HG SER 27 9.708 15.011 -10.031 271 H GLY 28 HN GLY 28 9.447 9.983 -7.243 272 1HA GLY 28 HA2 GLY 28 8.315 8.388 -9.443 273 2HA GLY 28 HA1 GLY 28 9.759 7.825 -8.616 274 H GLU 29 HN GLU 29 9.465 6.464 -6.982 275 HA GLU 29 HA GLU 29 6.761 6.089 -5.953 276 1HB GLU 29 HB2 GLU 29 9.280 4.443 -5.778 277 2HB GLU 29 HB1 GLU 29 7.839 4.057 -4.847 278 1HG GLU 29 HG2 GLU 29 6.877 4.356 -7.410 279 2HG GLU 29 HG1 GLU 29 8.440 3.573 -7.645 280 H ALA 30 HN ALA 30 7.724 8.439 -5.060 281 HA ALA 30 HA ALA 30 9.082 8.184 -2.544 282 1HB ALA 30 HB1 ALA 30 9.378 10.389 -2.724 283 2HB ALA 30 HB2 ALA 30 7.654 10.685 -2.943 284 3HB ALA 30 HB3 ALA 30 8.655 10.245 -4.326 285 HA PRO 31 HA PRO 31 5.774 7.671 0.310 286 1HB PRO 31 HB2 PRO 31 6.133 9.708 2.116 287 2HB PRO 31 HB1 PRO 31 7.090 8.224 2.093 288 1HG PRO 31 HG2 PRO 31 7.750 10.922 0.984 289 2HG PRO 31 HG1 PRO 31 8.791 9.783 1.858 290 1HD PRO 31 HD2 PRO 31 8.905 10.045 -0.816 291 2HD PRO 31 HD1 PRO 31 9.151 8.478 -0.020 292 H ASN 32 HN ASN 32 6.192 11.178 -0.222 293 HA ASN 32 HA ASN 32 3.678 12.076 0.321 294 1HB ASN 32 HB2 ASN 32 5.819 13.320 -0.546 295 2HB ASN 32 HB1 ASN 32 5.052 13.135 -2.120 296 1HD2 ASN 32 1HD2 ASN 32 4.425 14.276 1.167 297 2HD2 ASN 32 2HD2 ASN 32 3.372 15.565 0.707 298 H GLN 33 HN GLN 33 4.780 10.749 -2.778 299 HA GLN 33 HA GLN 33 2.458 11.116 -4.262 300 1HB GLN 33 HB2 GLN 33 4.141 8.640 -4.516 301 2HB GLN 33 HB1 GLN 33 3.254 9.494 -5.770 302 1HG GLN 33 HG2 GLN 33 5.115 11.307 -4.648 303 2HG GLN 33 HG1 GLN 33 5.963 9.798 -4.981 304 1HE2 GLN 33 1HE2 GLN 33 6.290 12.345 -6.283 305 2HE2 GLN 33 2HE2 GLN 33 5.921 12.104 -7.954 306 H ALA 34 HN ALA 34 3.087 8.873 -1.700 307 HA ALA 34 HA ALA 34 1.032 7.009 -2.278 308 1HB ALA 34 HB1 ALA 34 1.408 6.135 -0.130 309 2HB ALA 34 HB2 ALA 34 1.970 7.684 0.498 310 3HB ALA 34 HB3 ALA 34 2.980 6.767 -0.620 311 H LEU 35 HN LEU 35 1.216 9.682 0.045 312 HA LEU 35 HA LEU 35 -1.562 9.697 0.636 313 1HB LEU 35 HB2 LEU 35 0.196 12.123 0.854 314 2HB LEU 35 HB1 LEU 35 -1.155 11.658 1.868 315 HG LEU 35 HG LEU 35 0.927 9.666 2.017 316 1HD1 LEU 35 1HD1 LEU 35 1.914 12.140 3.269 317 2HD1 LEU 35 2HD1 LEU 35 2.077 12.052 1.516 318 3HD1 LEU 35 3HD1 LEU 35 2.799 10.804 2.532 319 1HD2 LEU 35 1HD2 LEU 35 0.773 10.698 4.478 320 2HD2 LEU 35 2HD2 LEU 35 -0.434 9.590 3.823 321 3HD2 LEU 35 3HD2 LEU 35 -0.733 11.329 3.811 322 H LEU 36 HN LEU 36 0.462 11.184 -1.776 323 HA LEU 36 HA LEU 36 -1.212 13.172 -2.739 324 1HB LEU 36 HB2 LEU 36 1.249 12.301 -3.398 325 2HB LEU 36 HB1 LEU 36 0.337 11.682 -4.762 326 HG LEU 36 HG LEU 36 0.522 14.564 -3.891 327 1HD1 LEU 36 1HD1 LEU 36 2.460 14.299 -5.034 328 2HD1 LEU 36 2HD1 LEU 36 1.385 14.543 -6.411 329 3HD1 LEU 36 3HD1 LEU 36 1.865 12.912 -5.945 330 1HD2 LEU 36 1HD2 LEU 36 -1.189 13.184 -5.927 331 2HD2 LEU 36 2HD2 LEU 36 -0.697 14.864 -6.144 332 3HD2 LEU 36 3HD2 LEU 36 -1.640 14.399 -4.729 333 H ARG 37 HN ARG 37 -1.134 9.702 -3.588 334 HA ARG 37 HA ARG 37 -3.518 10.174 -5.232 335 1HB ARG 37 HB2 ARG 37 -1.610 9.060 -6.322 336 2HB ARG 37 HB1 ARG 37 -1.680 7.776 -5.124 337 1HG ARG 37 HG2 ARG 37 -4.258 7.973 -6.219 338 2HG ARG 37 HG1 ARG 37 -3.131 8.054 -7.572 339 1HD ARG 37 HD2 ARG 37 -2.995 5.954 -5.418 340 2HD ARG 37 HD1 ARG 37 -3.888 5.743 -6.923 341 HE ARG 37 HE ARG 37 -1.294 6.504 -7.585 342 1HH1 ARG 37 1HH1 ARG 37 -2.918 3.818 -6.061 343 2HH1 ARG 37 2HH1 ARG 37 -1.732 2.658 -6.558 344 1HH2 ARG 37 1HH2 ARG 37 0.266 4.979 -8.240 345 2HH2 ARG 37 2HH2 ARG 37 0.075 3.316 -7.794 346 H ILE 38 HN ILE 38 -2.643 8.898 -2.165 347 HA ILE 38 HA ILE 38 -4.733 6.930 -2.074 348 HB ILE 38 HB ILE 38 -3.043 8.168 0.095 349 1HG1 ILE 38 2HG1 ILE 38 -3.080 5.287 -0.714 350 2HG1 ILE 38 1HG1 ILE 38 -2.223 6.455 -1.715 351 1HG2 ILE 38 1HG2 ILE 38 -5.010 7.630 1.248 352 2HG2 ILE 38 2HG2 ILE 38 -3.976 6.218 1.473 353 3HG2 ILE 38 3HG2 ILE 38 -5.280 6.175 0.286 354 1HD1 ILE 38 1HD1 ILE 38 -1.610 5.482 1.020 355 2HD1 ILE 38 2HD1 ILE 38 -1.152 7.131 0.591 356 3HD1 ILE 38 3HD1 ILE 38 -0.537 5.771 -0.348 357 H LEU 39 HN LEU 39 -4.335 10.140 -0.594 358 HA LEU 39 HA LEU 39 -6.985 10.203 0.456 359 1HB LEU 39 HB2 LEU 39 -4.733 12.113 0.204 360 2HB LEU 39 HB1 LEU 39 -6.333 12.811 0.375 361 HG LEU 39 HG LEU 39 -5.334 12.667 2.548 362 1HD1 LEU 39 1HD1 LEU 39 -7.203 10.335 2.537 363 2HD1 LEU 39 2HD1 LEU 39 -7.786 11.948 2.120 364 3HD1 LEU 39 3HD1 LEU 39 -7.061 11.653 3.700 365 1HD2 LEU 39 1HD2 LEU 39 -4.541 9.984 1.606 366 2HD2 LEU 39 2HD2 LEU 39 -4.983 10.119 3.308 367 3HD2 LEU 39 3HD2 LEU 39 -3.688 11.121 2.651 368 H LYS 40 HN LYS 40 -5.702 10.661 -2.634 369 HA LYS 40 HA LYS 40 -7.943 12.321 -3.533 370 1HB LYS 40 HB2 LYS 40 -5.367 11.468 -4.846 371 2HB LYS 40 HB1 LYS 40 -6.646 12.294 -5.724 372 1HG LYS 40 HG2 LYS 40 -4.815 13.769 -4.920 373 2HG LYS 40 HG1 LYS 40 -6.424 14.239 -4.377 374 1HD LYS 40 HD2 LYS 40 -5.781 14.106 -2.244 375 2HD LYS 40 HD1 LYS 40 -5.261 12.439 -2.475 376 1HE LYS 40 HE2 LYS 40 -3.160 13.027 -2.343 377 2HE LYS 40 HE1 LYS 40 -3.356 14.152 -3.685 378 1HZ LYS 40 HZ1 LYS 40 -3.624 15.916 -2.292 379 2HZ LYS 40 HZ2 LYS 40 -2.627 14.967 -1.311 380 3HZ LYS 40 HZ3 LYS 40 -4.296 14.993 -1.043 381 H GLU 41 HN GLU 41 -6.560 9.135 -3.932 382 HA GLU 41 HA GLU 41 -8.661 8.409 -5.832 383 1HB GLU 41 HB2 GLU 41 -7.351 6.558 -6.396 384 2HB GLU 41 HB1 GLU 41 -6.160 7.807 -6.043 385 1HG GLU 41 HG2 GLU 41 -5.219 6.175 -4.831 386 2HG GLU 41 HG1 GLU 41 -6.373 6.719 -3.615 387 H THR 42 HN THR 42 -8.318 8.563 -2.582 388 HA THR 42 HA THR 42 -10.386 6.535 -2.185 389 HB THR 42 HB THR 42 -7.937 6.910 -0.457 390 HG1 THR 42 HG1 THR 42 -8.804 4.848 -2.177 391 1HG2 THR 42 1HG2 THR 42 -9.121 4.622 0.402 392 2HG2 THR 42 2HG2 THR 42 -10.509 5.672 0.122 393 3HG2 THR 42 3HG2 THR 42 -9.221 6.186 1.209 394 H GLU 43 HN GLU 43 -9.811 9.656 -2.191 395 HA GLU 43 HA GLU 43 -10.283 10.848 0.202 396 1HB GLU 43 HB2 GLU 43 -11.875 12.409 -1.253 397 2HB GLU 43 HB1 GLU 43 -10.132 12.435 -1.439 398 1HG GLU 43 HG2 GLU 43 -10.242 11.712 -3.539 399 2HG GLU 43 HG1 GLU 43 -11.398 10.446 -3.133 400 H PHE 44 HN PHE 44 -12.932 9.951 -2.021 401 HA PHE 44 HA PHE 44 -14.795 10.050 0.199 402 1HB PHE 44 HB2 PHE 44 -15.072 10.885 -2.332 403 2HB PHE 44 HB1 PHE 44 -15.700 9.251 -2.512 404 HD1 PHE 44 HD1 PHE 44 -17.586 8.525 -0.975 405 HD2 PHE 44 HD2 PHE 44 -16.396 12.583 -1.444 406 HE1 PHE 44 HE1 PHE 44 -19.760 9.261 -0.089 407 HE2 PHE 44 HE2 PHE 44 -18.568 13.327 -0.558 408 HZ PHE 44 HZ PHE 44 -20.253 11.664 0.121 409 H LYS 45 HN LYS 45 -13.130 7.703 -1.755 410 HA LYS 45 HA LYS 45 -14.821 5.513 -1.535 411 1HB LYS 45 HB2 LYS 45 -11.824 5.309 -1.315 412 2HB LYS 45 HB1 LYS 45 -12.941 4.146 -2.013 413 1HG LYS 45 HG2 LYS 45 -12.110 6.806 -3.140 414 2HG LYS 45 HG1 LYS 45 -11.806 5.200 -3.803 415 1HD LYS 45 HD2 LYS 45 -14.159 4.896 -4.256 416 2HD LYS 45 HD1 LYS 45 -14.540 6.431 -3.473 417 1HE LYS 45 HE2 LYS 45 -14.488 7.182 -5.608 418 2HE LYS 45 HE1 LYS 45 -12.760 7.295 -5.272 419 1HZ LYS 45 HZ1 LYS 45 -12.428 5.162 -6.313 420 2HZ LYS 45 HZ2 LYS 45 -13.234 6.190 -7.388 421 3HZ LYS 45 HZ3 LYS 45 -14.090 4.980 -6.573 422 H LYS 46 HN LYS 46 -12.169 6.404 0.669 423 HA LYS 46 HA LYS 46 -12.666 4.334 2.516 424 1HB LYS 46 HB2 LYS 46 -11.209 5.636 4.051 425 2HB LYS 46 HB1 LYS 46 -10.509 5.364 2.464 426 1HG LYS 46 HG2 LYS 46 -10.089 7.541 2.395 427 2HG LYS 46 HG1 LYS 46 -11.827 7.790 2.213 428 1HD LYS 46 HD2 LYS 46 -12.100 8.058 4.579 429 2HD LYS 46 HD1 LYS 46 -10.426 7.584 4.875 430 1HE LYS 46 HE2 LYS 46 -9.667 9.575 3.643 431 2HE LYS 46 HE1 LYS 46 -11.348 10.054 3.408 432 1HZ LYS 46 HZ1 LYS 46 -10.785 11.256 5.254 433 2HZ LYS 46 HZ2 LYS 46 -9.736 10.078 5.861 434 3HZ LYS 46 HZ3 LYS 46 -11.409 9.865 5.989 435 H ILE 47 HN ILE 47 -13.784 7.710 2.473 436 HA ILE 47 HA ILE 47 -14.904 7.592 5.071 437 HB ILE 47 HB ILE 47 -15.987 9.683 4.608 438 1HG1 ILE 47 2HG1 ILE 47 -15.308 9.117 1.720 439 2HG1 ILE 47 1HG1 ILE 47 -16.911 9.312 2.418 440 1HG2 ILE 47 1HG2 ILE 47 -13.344 9.779 3.182 441 2HG2 ILE 47 2HG2 ILE 47 -13.480 9.530 4.922 442 3HG2 ILE 47 3HG2 ILE 47 -14.089 11.016 4.194 443 1HD1 ILE 47 1HD1 ILE 47 -16.324 11.671 2.937 444 2HD1 ILE 47 2HD1 ILE 47 -16.373 11.291 1.215 445 3HD1 ILE 47 3HD1 ILE 47 -14.822 11.438 2.041 446 H LYS 48 HN LYS 48 -16.500 7.421 1.863 447 HA LYS 48 HA LYS 48 -19.090 7.063 2.757 448 1HB LYS 48 HB2 LYS 48 -19.565 6.033 0.608 449 2HB LYS 48 HB1 LYS 48 -18.478 7.396 0.393 450 1HG LYS 48 HG2 LYS 48 -16.607 5.619 0.486 451 2HG LYS 48 HG1 LYS 48 -17.908 4.474 0.152 452 1HD LYS 48 HD2 LYS 48 -18.406 6.403 -1.698 453 2HD LYS 48 HD1 LYS 48 -16.645 6.466 -1.599 454 1HE LYS 48 HE2 LYS 48 -16.397 4.468 -2.592 455 2HE LYS 48 HE1 LYS 48 -17.751 3.757 -1.714 456 1HZ LYS 48 HZ1 LYS 48 -17.963 5.523 -4.093 457 2HZ LYS 48 HZ2 LYS 48 -19.267 4.858 -3.247 458 3HZ LYS 48 HZ3 LYS 48 -18.197 3.848 -4.080 459 H VAL 49 HN VAL 49 -16.490 4.724 2.471 460 HA VAL 49 HA VAL 49 -18.125 2.448 3.066 461 HB VAL 49 HB VAL 49 -15.120 2.713 3.211 462 1HG1 VAL 49 1HG1 VAL 49 -16.096 0.769 4.417 463 2HG1 VAL 49 2HG1 VAL 49 -15.059 0.313 3.064 464 3HG1 VAL 49 3HG1 VAL 49 -16.814 0.236 2.896 465 1HG2 VAL 49 1HG2 VAL 49 -16.449 1.369 0.932 466 2HG2 VAL 49 2HG2 VAL 49 -14.966 2.321 0.981 467 3HG2 VAL 49 3HG2 VAL 49 -16.533 3.130 0.983 468 H LEU 50 HN LEU 50 -16.060 4.619 4.922 469 HA LEU 50 HA LEU 50 -16.237 3.049 7.326 470 1HB LEU 50 HB2 LEU 50 -15.231 5.841 6.796 471 2HB LEU 50 HB1 LEU 50 -15.174 5.071 8.370 472 HG LEU 50 HG LEU 50 -13.880 3.781 5.991 473 1HD1 LEU 50 1HD1 LEU 50 -13.185 6.291 6.659 474 2HD1 LEU 50 2HD1 LEU 50 -12.044 5.088 6.058 475 3HD1 LEU 50 3HD1 LEU 50 -12.183 5.382 7.791 476 1HD2 LEU 50 1HD2 LEU 50 -13.189 3.691 8.922 477 2HD2 LEU 50 2HD2 LEU 50 -12.558 2.664 7.635 478 3HD2 LEU 50 3HD2 LEU 50 -14.248 2.528 8.123 479 H GLY 51 HN GLY 51 -17.978 5.714 5.900 480 1HA GLY 51 HA2 GLY 51 -19.516 6.096 8.370 481 2HA GLY 51 HA1 GLY 51 -19.533 7.163 6.973 482 H SER 52 HN SER 52 -19.777 3.713 6.613 483 HA SER 52 HA SER 52 -22.159 3.875 5.116 484 1HB SER 52 HB2 SER 52 -22.008 1.548 4.881 485 2HB SER 52 HB1 SER 52 -20.330 2.035 5.122 486 HG SER 52 HG SER 52 -21.214 0.200 6.420 487 H GLY 53 HN GLY 53 -21.520 3.347 8.511 488 1HA GLY 53 HA2 GLY 53 -23.049 3.702 10.249 489 2HA GLY 53 HA1 GLY 53 -24.357 3.678 9.074 Start of MODEL 16 1 1H ARG 1 HT1 ARG 1 18.218 -2.680 25.361 2 2H ARG 1 HT2 ARG 1 17.312 -4.138 25.373 3 3H ARG 1 HT3 ARG 1 16.577 -2.663 25.856 4 HA ARG 1 HA ARG 1 17.453 -3.478 23.174 5 1HB ARG 1 HB2 ARG 1 15.133 -3.950 24.463 6 2HB ARG 1 HB1 ARG 1 14.779 -2.358 23.804 7 1HG ARG 1 HG2 ARG 1 14.920 -3.091 21.610 8 2HG ARG 1 HG1 ARG 1 15.863 -4.518 22.045 9 1HD ARG 1 HD2 ARG 1 13.496 -4.998 21.418 10 2HD ARG 1 HD1 ARG 1 13.954 -5.568 23.022 11 HE ARG 1 HE ARG 1 12.893 -3.137 23.523 12 1HH1 ARG 1 1HH1 ARG 1 11.744 -5.905 21.735 13 2HH1 ARG 1 2HH1 ARG 1 10.075 -5.581 22.064 14 1HH2 ARG 1 1HH2 ARG 1 10.699 -2.709 23.957 15 2HH2 ARG 1 2HH2 ARG 1 9.481 -3.767 23.324 16 H ARG 2 HN ARG 2 16.411 -1.763 21.588 17 HA ARG 2 HA ARG 2 16.576 0.310 20.668 18 1HB ARG 2 HB2 ARG 2 16.470 1.430 23.464 19 2HB ARG 2 HB1 ARG 2 15.925 2.183 21.971 20 1HG ARG 2 HG2 ARG 2 13.889 1.387 22.291 21 2HG ARG 2 HG1 ARG 2 14.517 -0.262 22.296 22 1HD ARG 2 HD2 ARG 2 13.357 0.075 24.353 23 2HD ARG 2 HD1 ARG 2 15.083 0.047 24.710 24 HE ARG 2 HE ARG 2 14.031 2.689 24.286 25 1HH1 ARG 2 1HH1 ARG 2 14.557 0.160 26.633 26 2HH1 ARG 2 2HH1 ARG 2 14.538 1.241 27.986 27 1HH2 ARG 2 1HH2 ARG 2 14.006 4.112 26.063 28 2HH2 ARG 2 2HH2 ARG 2 14.225 3.485 27.662 29 H ARG 3 HN ARG 3 17.875 2.504 20.944 30 HA ARG 3 HA ARG 3 20.399 2.283 22.281 31 1HB ARG 3 HB2 ARG 3 20.204 1.142 19.704 32 2HB ARG 3 HB1 ARG 3 21.098 2.645 19.516 33 1HG ARG 3 HG2 ARG 3 21.798 0.562 21.566 34 2HG ARG 3 HG1 ARG 3 22.482 0.596 19.939 35 1HD ARG 3 HD2 ARG 3 23.074 3.056 20.521 36 2HD ARG 3 HD1 ARG 3 22.847 2.534 22.190 37 HE ARG 3 HE ARG 3 25.070 1.963 20.511 38 1HH1 ARG 3 1HH1 ARG 3 23.110 0.633 23.074 39 2HH1 ARG 3 2HH1 ARG 3 24.371 -0.390 23.677 40 1HH2 ARG 3 1HH2 ARG 3 26.728 0.617 21.301 41 2HH2 ARG 3 2HH2 ARG 3 26.425 -0.400 22.671 42 H HIS 4 HN HIS 4 20.719 4.282 22.973 43 HA HIS 4 HA HIS 4 19.405 6.553 22.004 44 1HB HIS 4 HB2 HIS 4 21.377 5.948 24.037 45 2HB HIS 4 HB1 HIS 4 21.737 7.480 23.248 46 HD1 HIS 4 HD1 HIS 4 20.615 6.980 26.236 47 HD2 HIS 4 HD2 HIS 4 18.494 8.361 22.940 48 HE1 HIS 4 HE1 HIS 4 18.660 8.249 27.179 49 HE2 HIS 4 HE2 HIS 4 17.440 9.150 25.167 50 H ILE 5 HN ILE 5 19.628 6.842 19.827 51 HA ILE 5 HA ILE 5 22.327 7.578 18.910 52 HB ILE 5 HB ILE 5 21.597 5.541 17.803 53 1HG1 ILE 5 2HG1 ILE 5 21.675 6.383 15.415 54 2HG1 ILE 5 1HG1 ILE 5 21.619 8.015 16.074 55 1HG2 ILE 5 1HG2 ILE 5 19.161 7.162 17.164 56 2HG2 ILE 5 2HG2 ILE 5 19.269 5.556 17.884 57 3HG2 ILE 5 3HG2 ILE 5 19.629 5.781 16.172 58 1HD1 ILE 5 1HD1 ILE 5 23.892 6.888 15.470 59 2HD1 ILE 5 2HD1 ILE 5 23.705 6.138 17.055 60 3HD1 ILE 5 3HD1 ILE 5 23.743 7.895 16.910 61 H VAL 6 HN VAL 6 22.541 9.371 17.670 62 HA VAL 6 HA VAL 6 22.101 11.444 16.826 63 HB VAL 6 HB VAL 6 19.201 10.599 16.747 64 1HG1 VAL 6 1HG1 VAL 6 20.295 12.432 14.726 65 2HG1 VAL 6 2HG1 VAL 6 20.222 13.080 16.364 66 3HG1 VAL 6 3HG1 VAL 6 18.758 12.476 15.588 67 1HG2 VAL 6 1HG2 VAL 6 21.508 9.878 15.052 68 2HG2 VAL 6 2HG2 VAL 6 20.031 10.338 14.203 69 3HG2 VAL 6 3HG2 VAL 6 20.005 9.006 15.359 70 H ARG 7 HN ARG 7 21.928 13.377 17.805 71 HA ARG 7 HA ARG 7 20.365 13.496 20.300 72 1HB ARG 7 HB2 ARG 7 23.104 14.174 19.711 73 2HB ARG 7 HB1 ARG 7 22.245 15.598 20.281 74 1HG ARG 7 HG2 ARG 7 23.331 14.380 22.101 75 2HG ARG 7 HG1 ARG 7 21.578 14.429 22.292 76 1HD ARG 7 HD2 ARG 7 22.157 12.220 22.801 77 2HD ARG 7 HD1 ARG 7 21.567 12.148 21.141 78 HE ARG 7 HE ARG 7 23.668 11.548 20.450 79 1HH1 ARG 7 1HH1 ARG 7 23.848 12.754 23.719 80 2HH1 ARG 7 2HH1 ARG 7 25.497 12.275 23.938 81 1HH2 ARG 7 1HH2 ARG 7 25.837 10.916 20.736 82 2HH2 ARG 7 2HH2 ARG 7 26.627 11.232 22.245 83 H LYS 8 HN LYS 8 20.183 16.076 20.838 84 HA LYS 8 HA LYS 8 18.201 17.017 19.071 85 1HB LYS 8 HB2 LYS 8 19.071 17.656 21.632 86 2HB LYS 8 HB1 LYS 8 19.409 19.109 20.703 87 1HG LYS 8 HG2 LYS 8 17.000 18.908 19.863 88 2HG LYS 8 HG1 LYS 8 16.775 17.769 21.192 89 1HD LYS 8 HD2 LYS 8 16.236 19.631 22.348 90 2HD LYS 8 HD1 LYS 8 17.987 19.799 22.495 91 1HE LYS 8 HE2 LYS 8 18.020 21.634 21.221 92 2HE LYS 8 HE1 LYS 8 16.956 20.913 20.013 93 1HZ LYS 8 HZ1 LYS 8 15.130 21.817 20.949 94 2HZ LYS 8 HZ2 LYS 8 16.239 22.956 21.530 95 3HZ LYS 8 HZ3 LYS 8 15.720 21.693 22.531 96 H ARG 9 HN ARG 9 21.530 18.132 19.614 97 HA ARG 9 HA ARG 9 21.629 20.237 17.854 98 1HB ARG 9 HB2 ARG 9 24.034 19.869 17.721 99 2HB ARG 9 HB1 ARG 9 23.463 19.647 19.368 100 1HG ARG 9 HG2 ARG 9 23.479 17.175 17.834 101 2HG ARG 9 HG1 ARG 9 25.072 17.922 17.965 102 1HD ARG 9 HD2 ARG 9 23.244 17.364 20.297 103 2HD ARG 9 HD1 ARG 9 24.563 16.315 19.788 104 HE ARG 9 HE ARG 9 26.109 17.940 20.506 105 1HH1 ARG 9 1HH1 ARG 9 22.803 18.879 21.163 106 2HH1 ARG 9 2HH1 ARG 9 23.251 20.079 22.326 107 1HH2 ARG 9 1HH2 ARG 9 26.686 19.521 22.031 108 2HH2 ARG 9 2HH2 ARG 9 25.451 20.445 22.816 109 H THR 10 HN THR 10 21.125 16.971 17.058 110 HA THR 10 HA THR 10 22.245 17.105 14.421 111 HB THR 10 HB THR 10 20.421 15.089 15.723 112 HG1 THR 10 HG1 THR 10 22.626 15.293 16.503 113 1HG2 THR 10 1HG2 THR 10 21.819 13.881 13.650 114 2HG2 THR 10 2HG2 THR 10 21.170 15.378 12.974 115 3HG2 THR 10 3HG2 THR 10 20.088 14.209 13.732 116 H LEU 11 HN LEU 11 19.193 17.918 15.877 117 HA LEU 11 HA LEU 11 17.398 17.563 13.825 118 1HB LEU 11 HB2 LEU 11 16.248 19.642 14.651 119 2HB LEU 11 HB1 LEU 11 16.559 18.415 15.862 120 HG LEU 11 HG LEU 11 18.545 19.745 16.599 121 1HD1 LEU 11 1HD1 LEU 11 17.735 21.372 14.320 122 2HD1 LEU 11 2HD1 LEU 11 19.293 21.245 15.139 123 3HD1 LEU 11 3HD1 LEU 11 18.033 22.284 15.799 124 1HD2 LEU 11 1HD2 LEU 11 17.152 21.565 17.652 125 2HD2 LEU 11 2HD2 LEU 11 16.594 19.912 17.910 126 3HD2 LEU 11 3HD2 LEU 11 15.794 20.937 16.718 127 H ARG 12 HN ARG 12 20.039 19.776 14.017 128 HA ARG 12 HA ARG 12 19.297 21.643 12.081 129 1HB ARG 12 HB2 ARG 12 21.527 21.143 13.675 130 2HB ARG 12 HB1 ARG 12 22.135 21.031 12.029 131 1HG ARG 12 HG2 ARG 12 21.156 23.257 11.562 132 2HG ARG 12 HG1 ARG 12 20.687 23.367 13.260 133 1HD ARG 12 HD2 ARG 12 22.814 23.721 13.965 134 2HD ARG 12 HD1 ARG 12 23.515 22.704 12.707 135 HE ARG 12 HE ARG 12 22.399 25.142 11.692 136 1HH1 ARG 12 1HH1 ARG 12 25.221 23.705 13.158 137 2HH1 ARG 12 2HH1 ARG 12 26.311 24.888 12.518 138 1HH2 ARG 12 1HH2 ARG 12 23.831 26.699 10.847 139 2HH2 ARG 12 2HH2 ARG 12 25.523 26.589 11.206 140 H ARG 13 HN ARG 13 20.231 18.353 11.757 141 HA ARG 13 HA ARG 13 21.060 18.583 9.000 142 1HB ARG 13 HB2 ARG 13 20.864 16.412 11.009 143 2HB ARG 13 HB1 ARG 13 20.692 15.933 9.326 144 1HG ARG 13 HG2 ARG 13 22.846 16.913 8.798 145 2HG ARG 13 HG1 ARG 13 23.014 17.481 10.461 146 1HD ARG 13 HD2 ARG 13 23.901 15.534 11.049 147 2HD ARG 13 HD1 ARG 13 22.444 14.694 10.522 148 HE ARG 13 HE ARG 13 24.946 14.911 9.099 149 1HH1 ARG 13 1HH1 ARG 13 21.531 14.225 8.853 150 2HH1 ARG 13 2HH1 ARG 13 21.694 13.313 7.391 151 1HH2 ARG 13 1HH2 ARG 13 25.159 13.711 7.177 152 2HH2 ARG 13 2HH2 ARG 13 23.752 13.020 6.439 153 H LEU 14 HN LEU 14 18.266 17.325 10.770 154 HA LEU 14 HA LEU 14 16.820 16.483 8.486 155 1HB LEU 14 HB2 LEU 14 15.816 17.267 11.223 156 2HB LEU 14 HB1 LEU 14 14.870 16.438 10.002 157 HG LEU 14 HG LEU 14 17.424 15.178 10.864 158 1HD1 LEU 14 1HD1 LEU 14 15.849 14.017 12.632 159 2HD1 LEU 14 2HD1 LEU 14 15.041 15.585 12.592 160 3HD1 LEU 14 3HD1 LEU 14 16.749 15.483 13.021 161 1HD2 LEU 14 1HD2 LEU 14 14.718 13.977 10.328 162 2HD2 LEU 14 2HD2 LEU 14 16.284 13.165 10.355 163 3HD2 LEU 14 3HD2 LEU 14 15.902 14.299 9.060 164 H LEU 15 HN LEU 15 16.594 19.415 10.490 165 HA LEU 15 HA LEU 15 14.540 20.685 9.113 166 1HB LEU 15 HB2 LEU 15 16.903 21.993 10.457 167 2HB LEU 15 HB1 LEU 15 15.369 22.759 10.088 168 HG LEU 15 HG LEU 15 15.554 20.381 11.921 169 1HD1 LEU 15 1HD1 LEU 15 15.770 21.778 13.793 170 2HD1 LEU 15 2HD1 LEU 15 15.486 23.237 12.844 171 3HD1 LEU 15 3HD1 LEU 15 16.995 22.343 12.656 172 1HD2 LEU 15 1HD2 LEU 15 13.359 21.022 10.930 173 2HD2 LEU 15 2HD2 LEU 15 13.510 22.586 11.730 174 3HD2 LEU 15 3HD2 LEU 15 13.408 21.111 12.690 175 H GLN 16 HN GLN 16 18.031 20.756 8.524 176 HA GLN 16 HA GLN 16 17.708 22.518 6.245 177 1HB GLN 16 HB2 GLN 16 20.048 21.277 7.643 178 2HB GLN 16 HB1 GLN 16 20.248 21.964 6.037 179 1HG GLN 16 HG2 GLN 16 18.971 23.990 7.253 180 2HG GLN 16 HG1 GLN 16 19.822 23.289 8.630 181 1HE2 GLN 16 1HE2 GLN 16 20.098 25.062 5.703 182 2HE2 GLN 16 2HE2 GLN 16 21.791 25.393 5.802 183 H GLU 17 HN GLU 17 17.511 19.191 6.784 184 HA GLU 17 HA GLU 17 18.703 18.131 4.479 185 1HB GLU 17 HB2 GLU 17 17.203 17.153 6.644 186 2HB GLU 17 HB1 GLU 17 16.310 16.682 5.205 187 1HG GLU 17 HG2 GLU 17 19.199 16.075 5.788 188 2HG GLU 17 HG1 GLU 17 17.851 14.942 5.865 189 H ARG 18 HN ARG 18 15.822 19.961 4.889 190 HA ARG 18 HA ARG 18 14.292 19.069 2.725 191 1HB ARG 18 HB2 ARG 18 13.146 21.212 2.861 192 2HB ARG 18 HB1 ARG 18 13.441 20.575 4.473 193 1HG ARG 18 HG2 ARG 18 14.670 22.334 5.059 194 2HG ARG 18 HG1 ARG 18 15.584 22.307 3.551 195 1HD ARG 18 HD2 ARG 18 14.438 24.376 3.599 196 2HD ARG 18 HD1 ARG 18 13.574 23.357 2.451 197 HE ARG 18 HE ARG 18 12.242 22.943 4.767 198 1HH1 ARG 18 1HH1 ARG 18 13.171 25.824 3.031 199 2HH1 ARG 18 2HH1 ARG 18 11.816 26.747 3.587 200 1HH2 ARG 18 1HH2 ARG 18 10.458 24.154 5.498 201 2HH2 ARG 18 2HH2 ARG 18 10.276 25.800 4.988 202 H GLU 19 HN GLU 19 17.106 21.115 2.854 203 HA GLU 19 HA GLU 19 18.452 21.964 1.229 204 1HB GLU 19 HB2 GLU 19 17.002 19.810 -0.130 205 2HB GLU 19 HB1 GLU 19 17.551 21.076 -1.219 206 1HG GLU 19 HG2 GLU 19 19.829 20.796 -0.424 207 2HG GLU 19 HG1 GLU 19 19.292 19.561 0.714 208 H LEU 20 HN LEU 20 15.365 21.706 -0.525 209 HA LEU 20 HA LEU 20 15.098 24.615 -0.471 210 1HB LEU 20 HB2 LEU 20 14.489 24.440 -2.979 211 2HB LEU 20 HB1 LEU 20 16.177 24.510 -2.511 212 HG LEU 20 HG LEU 20 15.379 21.766 -2.609 213 1HD1 LEU 20 1HD1 LEU 20 13.746 23.106 -4.283 214 2HD1 LEU 20 2HD1 LEU 20 14.315 21.462 -4.567 215 3HD1 LEU 20 3HD1 LEU 20 15.127 22.822 -5.343 216 1HD2 LEU 20 1HD2 LEU 20 17.230 23.425 -4.314 217 2HD2 LEU 20 2HD2 LEU 20 17.167 21.663 -4.302 218 3HD2 LEU 20 3HD2 LEU 20 17.656 22.539 -2.852 219 H VAL 21 HN VAL 21 13.696 21.545 -1.571 220 HA VAL 21 HA VAL 21 11.134 22.327 -0.437 221 HB VAL 21 HB VAL 21 11.300 21.406 -3.309 222 1HG1 VAL 21 1HG1 VAL 21 9.239 21.112 -1.591 223 2HG1 VAL 21 2HG1 VAL 21 9.047 21.327 -3.331 224 3HG1 VAL 21 3HG1 VAL 21 8.883 22.710 -2.248 225 1HG2 VAL 21 1HG2 VAL 21 10.787 24.172 -2.219 226 2HG2 VAL 21 2HG2 VAL 21 10.616 23.691 -3.907 227 3HG2 VAL 21 3HG2 VAL 21 12.201 23.654 -3.136 228 H GLU 22 HN GLU 22 12.288 19.815 -2.693 229 HA GLU 22 HA GLU 22 12.460 17.755 -0.801 230 1HB GLU 22 HB2 GLU 22 9.847 18.384 -1.160 231 2HB GLU 22 HB1 GLU 22 10.056 17.174 -2.419 232 1HG GLU 22 HG2 GLU 22 10.992 15.647 -0.674 233 2HG GLU 22 HG1 GLU 22 10.521 16.844 0.532 234 HA PRO 23 HA PRO 23 13.843 17.143 -5.314 235 1HB PRO 23 HB2 PRO 23 16.533 17.190 -4.788 236 2HB PRO 23 HB1 PRO 23 15.603 18.595 -5.312 237 1HG PRO 23 HG2 PRO 23 16.496 17.831 -2.566 238 2HG PRO 23 HG1 PRO 23 16.431 19.431 -3.322 239 1HD PRO 23 HD2 PRO 23 14.570 18.576 -1.554 240 2HD PRO 23 HD1 PRO 23 14.189 19.688 -2.883 241 H LEU 24 HN LEU 24 16.219 16.025 -2.921 242 HA LEU 24 HA LEU 24 15.386 13.261 -3.492 243 1HB LEU 24 HB2 LEU 24 17.795 12.626 -3.287 244 2HB LEU 24 HB1 LEU 24 17.406 13.584 -4.703 245 HG LEU 24 HG LEU 24 18.476 14.901 -2.230 246 1HD1 LEU 24 1HD1 LEU 24 20.618 14.316 -2.621 247 2HD1 LEU 24 2HD1 LEU 24 20.385 14.208 -4.366 248 3HD1 LEU 24 3HD1 LEU 24 19.868 12.882 -3.322 249 1HD2 LEU 24 1HD2 LEU 24 18.003 16.632 -3.577 250 2HD2 LEU 24 2HD2 LEU 24 17.938 15.622 -5.022 251 3HD2 LEU 24 3HD2 LEU 24 19.493 16.175 -4.401 252 H THR 25 HN THR 25 14.591 12.401 -1.704 253 HA THR 25 HA THR 25 16.114 12.451 0.745 254 HB THR 25 HB THR 25 15.001 14.427 1.274 255 HG1 THR 25 HG1 THR 25 13.140 12.503 2.191 256 1HG2 THR 25 1HG2 THR 25 12.374 13.364 0.284 257 2HG2 THR 25 2HG2 THR 25 13.450 14.364 -0.694 258 3HG2 THR 25 3HG2 THR 25 12.763 15.006 0.798 259 HA PRO 26 HA PRO 26 14.156 8.503 1.080 260 1HB PRO 26 HB2 PRO 26 14.662 7.899 3.642 261 2HB PRO 26 HB1 PRO 26 15.960 8.021 2.447 262 1HG PRO 26 HG2 PRO 26 15.082 10.014 4.499 263 2HG PRO 26 HG1 PRO 26 16.724 9.542 4.030 264 1HD PRO 26 HD2 PRO 26 15.462 11.800 3.120 265 2HD PRO 26 HD1 PRO 26 16.745 10.957 2.230 266 H SER 27 HN SER 27 12.201 10.430 1.071 267 HA SER 27 HA SER 27 10.090 9.211 2.435 268 1HB SER 27 HB2 SER 27 9.558 10.805 4.170 269 2HB SER 27 HB1 SER 27 11.215 10.258 4.419 270 HG SER 27 HG SER 27 10.394 12.686 3.199 271 H GLY 28 HN GLY 28 10.657 10.180 -0.153 272 1HA GLY 28 HA2 GLY 28 8.367 11.971 -0.488 273 2HA GLY 28 HA1 GLY 28 9.911 12.505 -1.133 274 H GLU 29 HN GLU 29 10.715 9.781 -1.916 275 HA GLU 29 HA GLU 29 9.254 9.706 -4.428 276 1HB GLU 29 HB2 GLU 29 11.925 9.066 -3.564 277 2HB GLU 29 HB1 GLU 29 11.225 7.693 -4.411 278 1HG GLU 29 HG2 GLU 29 10.964 10.391 -5.627 279 2HG GLU 29 HG1 GLU 29 12.529 9.583 -5.686 280 H ALA 30 HN ALA 30 8.158 8.658 -1.798 281 HA ALA 30 HA ALA 30 7.029 6.253 -2.908 282 1HB ALA 30 HB1 ALA 30 7.735 5.340 -0.370 283 2HB ALA 30 HB2 ALA 30 9.197 6.083 -1.018 284 3HB ALA 30 HB3 ALA 30 8.386 4.801 -1.917 285 HA PRO 31 HA PRO 31 4.698 7.366 1.175 286 1HB PRO 31 HB2 PRO 31 6.036 9.769 2.201 287 2HB PRO 31 HB1 PRO 31 5.607 8.280 3.047 288 1HG PRO 31 HG2 PRO 31 8.161 8.918 2.485 289 2HG PRO 31 HG1 PRO 31 7.588 7.240 2.500 290 1HD PRO 31 HD2 PRO 31 8.087 9.053 0.167 291 2HD PRO 31 HD1 PRO 31 8.473 7.331 0.359 292 H ASN 32 HN ASN 32 6.163 10.432 0.086 293 HA ASN 32 HA ASN 32 4.041 12.103 0.135 294 1HB ASN 32 HB2 ASN 32 6.475 11.921 -1.493 295 2HB ASN 32 HB1 ASN 32 5.184 12.858 -2.238 296 1HD2 ASN 32 1HD2 ASN 32 6.925 12.478 0.818 297 2HD2 ASN 32 2HD2 ASN 32 6.897 14.152 1.242 298 H GLN 33 HN GLN 33 4.879 10.173 -2.754 299 HA GLN 33 HA GLN 33 2.584 10.837 -4.218 300 1HB GLN 33 HB2 GLN 33 3.906 8.166 -4.506 301 2HB GLN 33 HB1 GLN 33 3.184 9.186 -5.741 302 1HG GLN 33 HG2 GLN 33 5.272 10.690 -4.643 303 2HG GLN 33 HG1 GLN 33 5.905 9.057 -4.843 304 1HE2 GLN 33 1HE2 GLN 33 5.759 11.921 -6.298 305 2HE2 GLN 33 2HE2 GLN 33 5.783 11.443 -7.959 306 H ALA 34 HN ALA 34 3.030 8.627 -1.604 307 HA ALA 34 HA ALA 34 0.822 6.927 -2.085 308 1HB ALA 34 HB1 ALA 34 2.780 6.642 -0.416 309 2HB ALA 34 HB2 ALA 34 1.176 6.079 0.056 310 3HB ALA 34 HB3 ALA 34 1.789 7.616 0.669 311 H LEU 35 HN LEU 35 1.239 9.722 0.076 312 HA LEU 35 HA LEU 35 -1.528 9.936 0.699 313 1HB LEU 35 HB2 LEU 35 0.191 12.341 0.880 314 2HB LEU 35 HB1 LEU 35 -0.971 11.706 2.027 315 HG LEU 35 HG LEU 35 1.040 9.804 2.036 316 1HD1 LEU 35 1HD1 LEU 35 3.068 10.725 1.769 317 2HD1 LEU 35 2HD1 LEU 35 2.579 12.259 2.490 318 3HD1 LEU 35 3HD1 LEU 35 2.201 11.919 0.800 319 1HD2 LEU 35 1HD2 LEU 35 1.367 10.458 4.269 320 2HD2 LEU 35 2HD2 LEU 35 -0.309 10.879 3.913 321 3HD2 LEU 35 3HD2 LEU 35 0.930 12.133 3.930 322 H LEU 36 HN LEU 36 0.533 11.101 -1.821 323 HA LEU 36 HA LEU 36 -0.961 13.259 -2.746 324 1HB LEU 36 HB2 LEU 36 1.354 11.910 -3.526 325 2HB LEU 36 HB1 LEU 36 0.297 11.855 -4.924 326 HG LEU 36 HG LEU 36 0.225 14.505 -3.901 327 1HD1 LEU 36 1HD1 LEU 36 2.482 13.598 -2.931 328 2HD1 LEU 36 2HD1 LEU 36 2.399 15.195 -3.676 329 3HD1 LEU 36 3HD1 LEU 36 3.042 13.828 -4.587 330 1HD2 LEU 36 1HD2 LEU 36 0.174 13.303 -6.310 331 2HD2 LEU 36 2HD2 LEU 36 1.827 13.919 -6.302 332 3HD2 LEU 36 3HD2 LEU 36 0.473 15.027 -6.080 333 H ARG 37 HN ARG 37 -1.144 9.809 -3.756 334 HA ARG 37 HA ARG 37 -3.562 10.531 -5.252 335 1HB ARG 37 HB2 ARG 37 -3.261 8.351 -6.382 336 2HB ARG 37 HB1 ARG 37 -1.889 9.431 -6.586 337 1HG ARG 37 HG2 ARG 37 -0.569 7.801 -5.885 338 2HG ARG 37 HG1 ARG 37 -1.328 7.920 -4.297 339 1HD ARG 37 HD2 ARG 37 -3.143 6.455 -5.776 340 2HD ARG 37 HD1 ARG 37 -1.581 5.865 -6.341 341 HE ARG 37 HE ARG 37 -2.763 5.439 -3.762 342 1HH1 ARG 37 1HH1 ARG 37 0.246 5.617 -5.521 343 2HH1 ARG 37 2HH1 ARG 37 1.109 4.630 -4.391 344 1HH2 ARG 37 1HH2 ARG 37 -1.628 4.140 -2.274 345 2HH2 ARG 37 2HH2 ARG 37 0.046 3.790 -2.548 346 H ILE 38 HN ILE 38 -2.676 8.926 -2.326 347 HA ILE 38 HA ILE 38 -4.886 7.099 -2.377 348 HB ILE 38 HB ILE 38 -2.884 6.695 -0.964 349 1HG1 ILE 38 2HG1 ILE 38 -4.944 6.746 1.097 350 2HG1 ILE 38 1HG1 ILE 38 -5.561 6.161 -0.444 351 1HG2 ILE 38 1HG2 ILE 38 -3.995 8.638 1.019 352 2HG2 ILE 38 2HG2 ILE 38 -2.852 9.165 -0.215 353 3HG2 ILE 38 3HG2 ILE 38 -2.386 7.916 0.940 354 1HD1 ILE 38 1HD1 ILE 38 -4.813 4.302 0.863 355 2HD1 ILE 38 2HD1 ILE 38 -3.236 5.053 1.108 356 3HD1 ILE 38 3HD1 ILE 38 -3.716 4.515 -0.501 357 H LEU 39 HN LEU 39 -4.306 10.199 -0.727 358 HA LEU 39 HA LEU 39 -6.814 10.348 0.523 359 1HB LEU 39 HB2 LEU 39 -4.648 12.265 -0.138 360 2HB LEU 39 HB1 LEU 39 -6.224 12.946 0.223 361 HG LEU 39 HG LEU 39 -4.577 11.186 2.040 362 1HD1 LEU 39 1HD1 LEU 39 -4.116 13.751 1.602 363 2HD1 LEU 39 2HD1 LEU 39 -4.010 13.052 3.218 364 3HD1 LEU 39 3HD1 LEU 39 -5.457 13.936 2.732 365 1HD2 LEU 39 1HD2 LEU 39 -6.421 11.888 3.688 366 2HD2 LEU 39 2HD2 LEU 39 -6.774 10.595 2.540 367 3HD2 LEU 39 3HD2 LEU 39 -7.380 12.225 2.247 368 H LYS 40 HN LYS 40 -5.851 10.826 -2.743 369 HA LYS 40 HA LYS 40 -8.323 12.252 -3.393 370 1HB LYS 40 HB2 LYS 40 -5.759 11.742 -4.872 371 2HB LYS 40 HB1 LYS 40 -7.201 12.276 -5.724 372 1HG LYS 40 HG2 LYS 40 -5.696 14.121 -5.147 373 2HG LYS 40 HG1 LYS 40 -7.290 14.289 -4.413 374 1HD LYS 40 HD2 LYS 40 -6.264 14.559 -2.450 375 2HD LYS 40 HD1 LYS 40 -5.771 12.873 -2.543 376 1HE LYS 40 HE2 LYS 40 -3.669 13.565 -2.560 377 2HE LYS 40 HE1 LYS 40 -3.971 14.222 -4.169 378 1HZ LYS 40 HZ1 LYS 40 -3.042 15.830 -2.521 379 2HZ LYS 40 HZ2 LYS 40 -4.503 15.735 -1.674 380 3HZ LYS 40 HZ3 LYS 40 -4.480 16.332 -3.257 381 H GLU 41 HN GLU 41 -6.603 9.259 -4.132 382 HA GLU 41 HA GLU 41 -8.841 8.351 -5.777 383 1HB GLU 41 HB2 GLU 41 -7.439 6.644 -6.558 384 2HB GLU 41 HB1 GLU 41 -6.355 8.014 -6.342 385 1HG GLU 41 HG2 GLU 41 -5.061 6.596 -5.232 386 2HG GLU 41 HG1 GLU 41 -6.213 6.785 -3.912 387 H THR 42 HN THR 42 -8.313 8.510 -2.608 388 HA THR 42 HA THR 42 -10.030 6.210 -2.094 389 HB THR 42 HB THR 42 -7.451 6.805 -0.640 390 HG1 THR 42 HG1 THR 42 -8.350 4.518 -2.050 391 1HG2 THR 42 1HG2 THR 42 -8.309 4.439 0.371 392 2HG2 THR 42 2HG2 THR 42 -9.814 5.353 0.271 393 3HG2 THR 42 3HG2 THR 42 -8.450 5.998 1.182 394 H GLU 43 HN GLU 43 -9.824 9.386 -2.020 395 HA GLU 43 HA GLU 43 -10.232 10.395 0.478 396 1HB GLU 43 HB2 GLU 43 -11.932 11.967 -0.658 397 2HB GLU 43 HB1 GLU 43 -10.278 11.983 -1.238 398 1HG GLU 43 HG2 GLU 43 -11.322 10.139 -2.889 399 2HG GLU 43 HG1 GLU 43 -12.751 11.119 -2.576 400 H PHE 44 HN PHE 44 -12.900 9.281 -1.628 401 HA PHE 44 HA PHE 44 -14.645 9.125 0.675 402 1HB PHE 44 HB2 PHE 44 -15.152 8.617 -2.259 403 2HB PHE 44 HB1 PHE 44 -16.387 8.564 -1.006 404 HD1 PHE 44 HD1 PHE 44 -16.444 10.754 0.513 405 HD2 PHE 44 HD2 PHE 44 -14.948 10.551 -3.465 406 HE1 PHE 44 HE1 PHE 44 -16.811 13.174 0.256 407 HE2 PHE 44 HE2 PHE 44 -15.311 12.971 -3.730 408 HZ PHE 44 HZ PHE 44 -16.243 14.284 -1.867 409 H LYS 45 HN LYS 45 -12.777 7.000 -1.343 410 HA LYS 45 HA LYS 45 -14.165 4.608 -1.004 411 1HB LYS 45 HB2 LYS 45 -11.159 4.822 -1.054 412 2HB LYS 45 HB1 LYS 45 -12.154 3.484 -1.612 413 1HG LYS 45 HG2 LYS 45 -11.928 6.211 -2.869 414 2HG LYS 45 HG1 LYS 45 -11.294 4.692 -3.501 415 1HD LYS 45 HD2 LYS 45 -13.379 3.918 -4.109 416 2HD LYS 45 HD1 LYS 45 -14.215 4.930 -2.930 417 1HE LYS 45 HE2 LYS 45 -13.274 6.886 -4.391 418 2HE LYS 45 HE1 LYS 45 -13.152 5.637 -5.629 419 1HZ LYS 45 HZ1 LYS 45 -15.369 5.537 -5.867 420 2HZ LYS 45 HZ2 LYS 45 -15.343 7.089 -5.196 421 3HZ LYS 45 HZ3 LYS 45 -15.682 5.752 -4.218 422 H LYS 46 HN LYS 46 -11.539 5.927 1.018 423 HA LYS 46 HA LYS 46 -11.584 3.805 2.883 424 1HB LYS 46 HB2 LYS 46 -10.147 5.180 4.252 425 2HB LYS 46 HB1 LYS 46 -9.657 5.313 2.571 426 1HG LYS 46 HG2 LYS 46 -11.044 7.441 2.493 427 2HG LYS 46 HG1 LYS 46 -11.107 7.329 4.253 428 1HD LYS 46 HD2 LYS 46 -8.695 7.419 4.384 429 2HD LYS 46 HD1 LYS 46 -8.568 7.393 2.624 430 1HE LYS 46 HE2 LYS 46 -8.295 9.653 3.655 431 2HE LYS 46 HE1 LYS 46 -9.573 9.548 2.447 432 1HZ LYS 46 HZ1 LYS 46 -10.372 9.056 5.197 433 2HZ LYS 46 HZ2 LYS 46 -11.169 9.910 3.973 434 3HZ LYS 46 HZ3 LYS 46 -9.913 10.645 4.836 435 H ILE 47 HN ILE 47 -13.095 7.028 2.964 436 HA ILE 47 HA ILE 47 -14.112 6.720 5.587 437 HB ILE 47 HB ILE 47 -15.580 8.651 5.062 438 1HG1 ILE 47 2HG1 ILE 47 -14.666 9.720 2.746 439 2HG1 ILE 47 1HG1 ILE 47 -14.660 8.012 2.325 440 1HG2 ILE 47 1HG2 ILE 47 -13.674 9.477 5.935 441 2HG2 ILE 47 2HG2 ILE 47 -13.444 10.094 4.298 442 3HG2 ILE 47 3HG2 ILE 47 -12.647 8.603 4.799 443 1HD1 ILE 47 1HD1 ILE 47 -17.108 8.347 3.523 444 2HD1 ILE 47 2HD1 ILE 47 -16.795 8.307 1.787 445 3HD1 ILE 47 3HD1 ILE 47 -16.880 9.853 2.633 446 H LYS 48 HN LYS 48 -15.789 6.487 2.422 447 HA LYS 48 HA LYS 48 -18.299 5.862 3.348 448 1HB LYS 48 HB2 LYS 48 -18.733 4.818 1.216 449 2HB LYS 48 HB1 LYS 48 -17.714 6.227 0.964 450 1HG LYS 48 HG2 LYS 48 -16.480 4.866 -0.296 451 2HG LYS 48 HG1 LYS 48 -15.862 4.248 1.235 452 1HD LYS 48 HD2 LYS 48 -17.349 2.411 1.204 453 2HD LYS 48 HD1 LYS 48 -18.317 3.122 -0.088 454 1HE LYS 48 HE2 LYS 48 -15.449 2.615 -0.646 455 2HE LYS 48 HE1 LYS 48 -16.512 1.213 -0.531 456 1HZ LYS 48 HZ1 LYS 48 -16.668 1.740 -2.741 457 2HZ LYS 48 HZ2 LYS 48 -16.538 3.406 -2.485 458 3HZ LYS 48 HZ3 LYS 48 -17.986 2.607 -2.129 459 H VAL 49 HN VAL 49 -15.493 3.769 3.053 460 HA VAL 49 HA VAL 49 -16.930 1.378 3.752 461 HB VAL 49 HB VAL 49 -13.947 1.852 3.730 462 1HG1 VAL 49 1HG1 VAL 49 -14.274 -0.760 3.156 463 2HG1 VAL 49 2HG1 VAL 49 -15.649 -0.504 4.230 464 3HG1 VAL 49 3HG1 VAL 49 -14.015 -0.142 4.786 465 1HG2 VAL 49 1HG2 VAL 49 -15.452 0.466 1.549 466 2HG2 VAL 49 2HG2 VAL 49 -13.874 1.251 1.498 467 3HG2 VAL 49 3HG2 VAL 49 -15.341 2.226 1.566 468 H LEU 50 HN LEU 50 -15.136 3.838 5.464 469 HA LEU 50 HA LEU 50 -14.959 2.287 7.896 470 1HB LEU 50 HB2 LEU 50 -14.277 5.145 7.232 471 2HB LEU 50 HB1 LEU 50 -14.108 4.474 8.844 472 HG LEU 50 HG LEU 50 -12.737 3.197 6.498 473 1HD1 LEU 50 1HD1 LEU 50 -10.714 4.538 7.306 474 2HD1 LEU 50 2HD1 LEU 50 -11.890 5.617 8.056 475 3HD1 LEU 50 3HD1 LEU 50 -11.905 5.373 6.309 476 1HD2 LEU 50 1HD2 LEU 50 -11.176 2.472 8.266 477 2HD2 LEU 50 2HD2 LEU 50 -12.824 1.906 8.540 478 3HD2 LEU 50 3HD2 LEU 50 -12.195 3.270 9.465 479 H GLY 51 HN GLY 51 -17.056 4.707 6.515 480 1HA GLY 51 HA2 GLY 51 -18.511 4.962 9.052 481 2HA GLY 51 HA1 GLY 51 -18.701 6.004 7.651 482 H SER 52 HN SER 52 -18.606 2.531 7.373 483 HA SER 52 HA SER 52 -20.952 2.351 5.882 484 1HB SER 52 HB2 SER 52 -19.273 0.592 5.830 485 2HB SER 52 HB1 SER 52 -19.565 0.222 7.529 486 HG SER 52 HG SER 52 -21.563 -0.566 7.010 487 H GLY 53 HN GLY 53 -20.449 2.344 9.331 488 1HA GLY 53 HA2 GLY 53 -22.019 2.696 11.000 489 2HA GLY 53 HA1 GLY 53 -23.280 2.653 9.776 Start of MODEL 17 1 1H ARG 1 HT1 ARG 1 -12.314 -18.340 9.596 2 2H ARG 1 HT2 ARG 1 -11.432 -16.878 9.422 3 3H ARG 1 HT3 ARG 1 -10.838 -18.123 10.440 4 HA ARG 1 HA ARG 1 -9.578 -18.267 8.548 5 1HB ARG 1 HB2 ARG 1 -11.880 -20.215 8.564 6 2HB ARG 1 HB1 ARG 1 -10.503 -20.405 7.488 7 1HG ARG 1 HG2 ARG 1 -9.151 -21.122 9.129 8 2HG ARG 1 HG1 ARG 1 -9.820 -19.998 10.314 9 1HD ARG 1 HD2 ARG 1 -10.279 -22.337 10.901 10 2HD ARG 1 HD1 ARG 1 -11.759 -21.424 10.612 11 HE ARG 1 HE ARG 1 -12.221 -22.806 8.852 12 1HH1 ARG 1 1HH1 ARG 1 -8.846 -23.140 9.678 13 2HH1 ARG 1 2HH1 ARG 1 -8.585 -24.467 8.597 14 1HH2 ARG 1 1HH2 ARG 1 -11.879 -24.551 7.430 15 2HH2 ARG 1 2HH2 ARG 1 -10.306 -25.269 7.320 16 H ARG 2 HN ARG 2 -9.223 -17.621 6.505 17 HA ARG 2 HA ARG 2 -11.229 -17.576 4.487 18 1HB ARG 2 HB2 ARG 2 -11.173 -15.077 4.155 19 2HB ARG 2 HB1 ARG 2 -12.063 -15.626 5.569 20 1HG ARG 2 HG2 ARG 2 -9.252 -15.052 6.106 21 2HG ARG 2 HG1 ARG 2 -10.175 -13.657 5.545 22 1HD ARG 2 HD2 ARG 2 -11.106 -15.456 7.769 23 2HD ARG 2 HD1 ARG 2 -10.118 -14.023 8.046 24 HE ARG 2 HE ARG 2 -12.199 -13.083 6.587 25 1HH1 ARG 2 1HH1 ARG 2 -11.974 -14.954 9.524 26 2HH1 ARG 2 2HH1 ARG 2 -13.449 -14.330 10.183 27 1HH2 ARG 2 1HH2 ARG 2 -14.140 -12.262 7.451 28 2HH2 ARG 2 2HH2 ARG 2 -14.679 -12.803 9.005 29 H ARG 3 HN ARG 3 -9.668 -18.688 3.317 30 HA ARG 3 HA ARG 3 -7.932 -18.951 1.872 31 1HB ARG 3 HB2 ARG 3 -8.915 -16.356 1.465 32 2HB ARG 3 HB1 ARG 3 -7.166 -16.186 1.509 33 1HG ARG 3 HG2 ARG 3 -7.843 -16.521 -0.755 34 2HG ARG 3 HG1 ARG 3 -7.001 -17.971 -0.206 35 1HD ARG 3 HD2 ARG 3 -9.825 -18.164 0.335 36 2HD ARG 3 HD1 ARG 3 -9.540 -17.813 -1.370 37 HE ARG 3 HE ARG 3 -7.804 -19.817 -0.865 38 1HH1 ARG 3 1HH1 ARG 3 -11.226 -19.439 -0.294 39 2HH1 ARG 3 2HH1 ARG 3 -11.566 -21.130 -0.449 40 1HH2 ARG 3 1HH2 ARG 3 -8.250 -22.042 -1.071 41 2HH2 ARG 3 2HH2 ARG 3 -9.877 -22.607 -0.890 42 H HIS 4 HN HIS 4 -7.365 -18.961 4.664 43 HA HIS 4 HA HIS 4 -4.858 -17.544 5.011 44 1HB HIS 4 HB2 HIS 4 -6.614 -19.218 6.766 45 2HB HIS 4 HB1 HIS 4 -4.933 -18.966 7.225 46 HD1 HIS 4 HD1 HIS 4 -5.969 -15.981 5.578 47 HD2 HIS 4 HD2 HIS 4 -6.540 -17.576 9.372 48 HE1 HIS 4 HE1 HIS 4 -6.630 -14.039 7.030 49 HE2 HIS 4 HE2 HIS 4 -6.883 -15.012 9.340 50 H ILE 5 HN ILE 5 -4.359 -19.012 2.926 51 HA ILE 5 HA ILE 5 -2.583 -21.103 3.933 52 HB ILE 5 HB ILE 5 -4.339 -21.600 1.534 53 1HG1 ILE 5 2HG1 ILE 5 -5.287 -23.375 3.270 54 2HG1 ILE 5 1HG1 ILE 5 -4.779 -22.155 4.433 55 1HG2 ILE 5 1HG2 ILE 5 -3.589 -23.964 1.959 56 2HG2 ILE 5 2HG2 ILE 5 -2.431 -23.306 3.115 57 3HG2 ILE 5 3HG2 ILE 5 -2.331 -22.855 1.413 58 1HD1 ILE 5 1HD1 ILE 5 -6.672 -21.081 4.078 59 2HD1 ILE 5 2HD1 ILE 5 -7.125 -22.238 2.826 60 3HD1 ILE 5 3HD1 ILE 5 -6.185 -20.807 2.405 61 H VAL 6 HN VAL 6 -3.673 -19.354 1.037 62 HA VAL 6 HA VAL 6 -1.124 -19.653 -0.266 63 HB VAL 6 HB VAL 6 -3.392 -17.818 -1.041 64 1HG1 VAL 6 1HG1 VAL 6 -1.285 -19.075 -2.788 65 2HG1 VAL 6 2HG1 VAL 6 -1.125 -17.468 -2.080 66 3HG1 VAL 6 3HG1 VAL 6 -2.432 -17.805 -3.215 67 1HG2 VAL 6 1HG2 VAL 6 -4.336 -19.992 -0.907 68 2HG2 VAL 6 2HG2 VAL 6 -2.929 -20.723 -1.678 69 3HG2 VAL 6 3HG2 VAL 6 -4.007 -19.687 -2.612 70 H ARG 7 HN ARG 7 -0.138 -18.658 1.805 71 HA ARG 7 HA ARG 7 0.482 -15.883 1.179 72 1HB ARG 7 HB2 ARG 7 -0.831 -16.812 3.696 73 2HB ARG 7 HB1 ARG 7 0.343 -15.507 3.789 74 1HG ARG 7 HG2 ARG 7 -1.850 -15.333 1.783 75 2HG ARG 7 HG1 ARG 7 -2.204 -15.005 3.481 76 1HD ARG 7 HD2 ARG 7 0.164 -13.617 2.913 77 2HD ARG 7 HD1 ARG 7 -0.897 -13.342 1.531 78 HE ARG 7 HE ARG 7 -2.262 -12.078 2.868 79 1HH1 ARG 7 1HH1 ARG 7 -0.061 -13.888 4.881 80 2HH1 ARG 7 2HH1 ARG 7 -0.513 -13.063 6.335 81 1HH2 ARG 7 1HH2 ARG 7 -2.858 -10.990 4.779 82 2HH2 ARG 7 2HH2 ARG 7 -2.102 -11.418 6.277 83 H LYS 8 HN LYS 8 1.099 -18.584 3.413 84 HA LYS 8 HA LYS 8 3.645 -17.790 4.251 85 1HB LYS 8 HB2 LYS 8 2.106 -20.319 4.235 86 2HB LYS 8 HB1 LYS 8 3.849 -20.478 4.396 87 1HG LYS 8 HG2 LYS 8 2.575 -18.472 6.137 88 2HG LYS 8 HG1 LYS 8 2.181 -20.160 6.470 89 1HD LYS 8 HD2 LYS 8 4.061 -19.850 7.774 90 2HD LYS 8 HD1 LYS 8 4.758 -20.507 6.293 91 1HE LYS 8 HE2 LYS 8 6.101 -18.654 6.937 92 2HE LYS 8 HE1 LYS 8 5.150 -18.148 5.541 93 1HZ LYS 8 HZ1 LYS 8 4.724 -16.387 6.853 94 2HZ LYS 8 HZ2 LYS 8 5.045 -17.220 8.290 95 3HZ LYS 8 HZ3 LYS 8 3.547 -17.400 7.526 96 H ARG 9 HN ARG 9 2.597 -19.508 1.386 97 HA ARG 9 HA ARG 9 5.333 -20.027 0.555 98 1HB ARG 9 HB2 ARG 9 4.270 -21.113 -1.411 99 2HB ARG 9 HB1 ARG 9 3.749 -21.787 0.125 100 1HG ARG 9 HG2 ARG 9 2.051 -19.616 -0.835 101 2HG ARG 9 HG1 ARG 9 2.106 -21.012 -1.913 102 1HD ARG 9 HD2 ARG 9 1.446 -21.077 1.031 103 2HD ARG 9 HD1 ARG 9 0.285 -21.191 -0.287 104 HE ARG 9 HE ARG 9 1.074 -23.350 -0.777 105 1HH1 ARG 9 1HH1 ARG 9 2.713 -21.953 1.980 106 2HH1 ARG 9 2HH1 ARG 9 3.316 -23.474 2.543 107 1HH2 ARG 9 1HH2 ARG 9 1.873 -25.343 -0.031 108 2HH2 ARG 9 2HH2 ARG 9 2.842 -25.395 1.404 109 H THR 10 HN THR 10 2.877 -17.681 0.080 110 HA THR 10 HA THR 10 3.943 -16.716 -2.416 111 HB THR 10 HB THR 10 1.869 -15.551 -0.563 112 HG1 THR 10 HG1 THR 10 1.624 -16.958 -3.014 113 1HG2 THR 10 1HG2 THR 10 1.936 -13.703 -1.762 114 2HG2 THR 10 2HG2 THR 10 1.494 -14.647 -3.186 115 3HG2 THR 10 3HG2 THR 10 3.195 -14.377 -2.796 116 H LEU 11 HN LEU 11 4.507 -16.169 0.946 117 HA LEU 11 HA LEU 11 5.356 -13.555 1.064 118 1HB LEU 11 HB2 LEU 11 5.953 -16.023 2.523 119 2HB LEU 11 HB1 LEU 11 7.260 -14.857 2.570 120 HG LEU 11 HG LEU 11 5.782 -13.179 3.525 121 1HD1 LEU 11 1HD1 LEU 11 3.593 -15.188 3.795 122 2HD1 LEU 11 2HD1 LEU 11 3.744 -14.253 2.309 123 3HD1 LEU 11 3HD1 LEU 11 3.517 -13.428 3.851 124 1HD2 LEU 11 1HD2 LEU 11 5.364 -15.724 5.067 125 2HD2 LEU 11 2HD2 LEU 11 5.586 -14.089 5.686 126 3HD2 LEU 11 3HD2 LEU 11 6.939 -14.940 4.943 127 H ARG 12 HN ARG 12 6.805 -16.242 -0.551 128 HA ARG 12 HA ARG 12 9.424 -15.282 -0.853 129 1HB ARG 12 HB2 ARG 12 7.738 -17.382 -2.036 130 2HB ARG 12 HB1 ARG 12 9.023 -16.798 -3.087 131 1HG ARG 12 HG2 ARG 12 9.641 -17.568 -0.270 132 2HG ARG 12 HG1 ARG 12 9.455 -18.810 -1.509 133 1HD ARG 12 HD2 ARG 12 11.269 -18.006 -2.750 134 2HD ARG 12 HD1 ARG 12 11.259 -16.450 -1.922 135 HE ARG 12 HE ARG 12 12.553 -17.360 -0.269 136 1HH1 ARG 12 1HH1 ARG 12 11.191 -19.941 -2.182 137 2HH1 ARG 12 2HH1 ARG 12 12.139 -21.173 -1.420 138 1HH2 ARG 12 1HH2 ARG 12 13.800 -18.979 0.735 139 2HH2 ARG 12 2HH2 ARG 12 13.620 -20.629 0.237 140 H ARG 13 HN ARG 13 6.517 -14.159 -2.193 141 HA ARG 13 HA ARG 13 7.606 -13.188 -4.671 142 1HB ARG 13 HB2 ARG 13 5.000 -12.844 -3.220 143 2HB ARG 13 HB1 ARG 13 5.388 -11.826 -4.602 144 1HG ARG 13 HG2 ARG 13 5.939 -14.447 -5.414 145 2HG ARG 13 HG1 ARG 13 4.410 -14.523 -4.536 146 1HD ARG 13 HD2 ARG 13 3.399 -12.939 -5.969 147 2HD ARG 13 HD1 ARG 13 4.948 -12.473 -6.670 148 HE ARG 13 HE ARG 13 4.810 -14.263 -8.096 149 1HH1 ARG 13 1HH1 ARG 13 2.439 -14.640 -5.563 150 2HH1 ARG 13 2HH1 ARG 13 1.658 -15.985 -6.322 151 1HH2 ARG 13 1HH2 ARG 13 3.783 -16.033 -9.097 152 2HH2 ARG 13 2HH2 ARG 13 2.421 -16.777 -8.328 153 H LEU 14 HN LEU 14 6.165 -11.454 -1.925 154 HA LEU 14 HA LEU 14 7.045 -8.920 -2.476 155 1HB LEU 14 HB2 LEU 14 5.729 -10.096 -0.395 156 2HB LEU 14 HB1 LEU 14 7.232 -9.622 0.373 157 HG LEU 14 HG LEU 14 6.564 -7.333 -0.963 158 1HD1 LEU 14 1HD1 LEU 14 4.282 -6.904 -0.866 159 2HD1 LEU 14 2HD1 LEU 14 3.970 -8.275 0.199 160 3HD1 LEU 14 3HD1 LEU 14 4.363 -8.548 -1.499 161 1HD2 LEU 14 1HD2 LEU 14 5.450 -6.845 1.426 162 2HD2 LEU 14 2HD2 LEU 14 7.193 -6.935 1.172 163 3HD2 LEU 14 3HD2 LEU 14 6.321 -8.331 1.805 164 H LEU 15 HN LEU 15 8.914 -11.587 -1.256 165 HA LEU 15 HA LEU 15 11.177 -9.889 -0.581 166 1HB LEU 15 HB2 LEU 15 11.115 -12.896 -0.589 167 2HB LEU 15 HB1 LEU 15 12.218 -11.845 0.277 168 HG LEU 15 HG LEU 15 9.330 -11.623 0.937 169 1HD1 LEU 15 1HD1 LEU 15 10.118 -14.116 0.745 170 2HD1 LEU 15 2HD1 LEU 15 9.158 -13.576 2.121 171 3HD1 LEU 15 3HD1 LEU 15 10.904 -13.762 2.282 172 1HD2 LEU 15 1HD2 LEU 15 10.190 -11.175 3.137 173 2HD2 LEU 15 2HD2 LEU 15 11.083 -10.204 1.967 174 3HD2 LEU 15 3HD2 LEU 15 11.813 -11.659 2.646 175 H GLN 16 HN GLN 16 10.070 -11.914 -3.170 176 HA GLN 16 HA GLN 16 12.641 -12.195 -4.423 177 1HB GLN 16 HB2 GLN 16 9.849 -12.977 -5.055 178 2HB GLN 16 HB1 GLN 16 10.949 -12.798 -6.414 179 1HG GLN 16 HG2 GLN 16 12.424 -14.449 -5.532 180 2HG GLN 16 HG1 GLN 16 11.524 -14.519 -4.017 181 1HE2 GLN 16 1HE2 GLN 16 12.172 -16.418 -6.362 182 2HE2 GLN 16 2HE2 GLN 16 10.654 -17.181 -6.677 183 H GLU 17 HN GLU 17 10.288 -9.726 -4.301 184 HA GLU 17 HA GLU 17 11.000 -8.590 -6.875 185 1HB GLU 17 HB2 GLU 17 9.175 -7.606 -4.678 186 2HB GLU 17 HB1 GLU 17 9.422 -6.776 -6.208 187 1HG GLU 17 HG2 GLU 17 8.510 -9.621 -6.154 188 2HG GLU 17 HG1 GLU 17 7.366 -8.302 -5.914 189 H ARG 18 HN ARG 18 12.187 -8.492 -3.708 190 HA ARG 18 HA ARG 18 12.984 -5.908 -3.263 191 1HB ARG 18 HB2 ARG 18 14.699 -6.776 -1.848 192 2HB ARG 18 HB1 ARG 18 13.336 -7.883 -1.751 193 1HG ARG 18 HG2 ARG 18 14.454 -9.405 -3.297 194 2HG ARG 18 HG1 ARG 18 15.819 -8.291 -3.407 195 1HD ARG 18 HD2 ARG 18 15.964 -8.519 -0.861 196 2HD ARG 18 HD1 ARG 18 14.905 -9.915 -1.053 197 HE ARG 18 HE ARG 18 17.151 -10.072 -2.788 198 1HH1 ARG 18 1HH1 ARG 18 16.173 -10.516 0.532 199 2HH1 ARG 18 2HH1 ARG 18 17.416 -11.673 0.875 200 1HH2 ARG 18 1HH2 ARG 18 18.785 -11.593 -2.341 201 2HH2 ARG 18 2HH2 ARG 18 18.900 -12.284 -0.756 202 H GLU 19 HN GLU 19 14.365 -8.237 -5.495 203 HA GLU 19 HA GLU 19 16.258 -6.170 -6.405 204 1HB GLU 19 HB2 GLU 19 16.519 -9.175 -6.603 205 2HB GLU 19 HB1 GLU 19 17.672 -8.011 -7.240 206 1HG GLU 19 HG2 GLU 19 17.456 -7.250 -4.621 207 2HG GLU 19 HG1 GLU 19 17.312 -9.005 -4.526 208 H LEU 20 HN LEU 20 13.633 -6.141 -7.304 209 HA LEU 20 HA LEU 20 14.005 -6.895 -10.123 210 1HB LEU 20 HB2 LEU 20 11.602 -7.331 -8.375 211 2HB LEU 20 HB1 LEU 20 11.442 -7.201 -10.116 212 HG LEU 20 HG LEU 20 13.142 -9.253 -8.698 213 1HD1 LEU 20 1HD1 LEU 20 11.425 -10.713 -8.736 214 2HD1 LEU 20 2HD1 LEU 20 10.755 -10.054 -10.228 215 3HD1 LEU 20 3HD1 LEU 20 10.453 -9.243 -8.691 216 1HD2 LEU 20 1HD2 LEU 20 14.003 -8.739 -10.891 217 2HD2 LEU 20 2HD2 LEU 20 12.395 -8.899 -11.597 218 3HD2 LEU 20 3HD2 LEU 20 13.210 -10.313 -10.929 219 H VAL 21 HN VAL 21 11.367 -5.257 -8.401 220 HA VAL 21 HA VAL 21 11.635 -3.007 -10.251 221 HB VAL 21 HB VAL 21 9.411 -2.319 -9.193 222 1HG1 VAL 21 1HG1 VAL 21 8.355 -3.309 -10.922 223 2HG1 VAL 21 2HG1 VAL 21 8.947 -4.915 -10.499 224 3HG1 VAL 21 3HG1 VAL 21 9.990 -3.792 -11.373 225 1HG2 VAL 21 1HG2 VAL 21 9.689 -3.834 -7.217 226 2HG2 VAL 21 2HG2 VAL 21 9.374 -5.191 -8.298 227 3HG2 VAL 21 3HG2 VAL 21 8.134 -3.964 -8.038 228 H GLU 22 HN GLU 22 12.643 -1.225 -9.616 229 HA GLU 22 HA GLU 22 12.157 0.158 -7.253 230 1HB GLU 22 HB2 GLU 22 13.829 -2.039 -6.786 231 2HB GLU 22 HB1 GLU 22 14.906 -0.650 -6.825 232 1HG GLU 22 HG2 GLU 22 14.050 0.246 -4.932 233 2HG GLU 22 HG1 GLU 22 12.429 -0.377 -5.236 234 HA PRO 23 HA PRO 23 16.305 1.834 -9.403 235 1HB PRO 23 HB2 PRO 23 15.916 0.266 -11.914 236 2HB PRO 23 HB1 PRO 23 17.414 0.792 -11.137 237 1HG PRO 23 HG2 PRO 23 16.615 -1.735 -10.947 238 2HG PRO 23 HG1 PRO 23 17.351 -0.909 -9.560 239 1HD PRO 23 HD2 PRO 23 14.493 -1.592 -10.064 240 2HD PRO 23 HD1 PRO 23 15.391 -1.542 -8.535 241 H LEU 24 HN LEU 24 13.352 0.912 -11.094 242 HA LEU 24 HA LEU 24 13.336 3.440 -12.560 243 1HB LEU 24 HB2 LEU 24 12.800 1.348 -13.754 244 2HB LEU 24 HB1 LEU 24 11.428 1.105 -12.691 245 HG LEU 24 HG LEU 24 11.319 3.709 -13.962 246 1HD1 LEU 24 1HD1 LEU 24 10.619 2.390 -16.184 247 2HD1 LEU 24 2HD1 LEU 24 11.946 1.363 -15.641 248 3HD1 LEU 24 3HD1 LEU 24 12.222 3.081 -15.934 249 1HD2 LEU 24 1HD2 LEU 24 9.105 3.262 -14.008 250 2HD2 LEU 24 2HD2 LEU 24 9.561 2.005 -12.857 251 3HD2 LEU 24 3HD2 LEU 24 9.340 1.604 -14.561 252 H THR 25 HN THR 25 12.819 3.056 -9.577 253 HA THR 25 HA THR 25 10.615 4.905 -9.438 254 HB THR 25 HB THR 25 9.239 3.573 -7.933 255 HG1 THR 25 HG1 THR 25 9.785 1.554 -7.337 256 1HG2 THR 25 1HG2 THR 25 8.870 3.332 -10.390 257 2HG2 THR 25 2HG2 THR 25 8.333 1.963 -9.417 258 3HG2 THR 25 3HG2 THR 25 9.841 1.862 -10.326 259 HA PRO 26 HA PRO 26 13.680 6.273 -6.409 260 1HB PRO 26 HB2 PRO 26 11.369 8.046 -5.757 261 2HB PRO 26 HB1 PRO 26 13.070 8.459 -5.996 262 1HG PRO 26 HG2 PRO 26 11.277 8.970 -7.892 263 2HG PRO 26 HG1 PRO 26 12.900 8.388 -8.309 264 1HD PRO 26 HD2 PRO 26 10.301 6.927 -8.313 265 2HD PRO 26 HD1 PRO 26 11.702 6.746 -9.388 266 H SER 27 HN SER 27 10.356 5.341 -5.821 267 HA SER 27 HA SER 27 11.072 3.980 -3.412 268 1HB SER 27 HB2 SER 27 9.112 5.396 -2.221 269 2HB SER 27 HB1 SER 27 10.817 5.828 -2.098 270 HG SER 27 HG SER 27 8.802 6.971 -3.696 271 H GLY 28 HN GLY 28 8.335 5.390 -5.199 272 1HA GLY 28 HA2 GLY 28 6.662 4.140 -6.294 273 2HA GLY 28 HA1 GLY 28 7.141 2.728 -5.364 274 H GLU 29 HN GLU 29 6.739 2.982 -2.926 275 HA GLU 29 HA GLU 29 4.017 4.035 -2.603 276 1HB GLU 29 HB2 GLU 29 5.486 1.715 -1.483 277 2HB GLU 29 HB1 GLU 29 4.349 2.517 -0.408 278 1HG GLU 29 HG2 GLU 29 3.477 1.760 -3.154 279 2HG GLU 29 HG1 GLU 29 3.589 0.522 -1.904 280 H ALA 30 HN ALA 30 6.455 5.661 -2.430 281 HA ALA 30 HA ALA 30 7.132 6.203 0.251 282 1HB ALA 30 HB1 ALA 30 7.701 8.538 -0.865 283 2HB ALA 30 HB2 ALA 30 7.474 7.605 -2.344 284 3HB ALA 30 HB3 ALA 30 8.680 7.102 -1.160 285 HA PRO 31 HA PRO 31 3.905 8.558 2.085 286 1HB PRO 31 HB2 PRO 31 5.823 10.832 2.319 287 2HB PRO 31 HB1 PRO 31 4.814 10.079 3.560 288 1HG PRO 31 HG2 PRO 31 7.425 9.578 3.451 289 2HG PRO 31 HG1 PRO 31 6.268 8.293 3.846 290 1HD PRO 31 HD2 PRO 31 7.755 8.793 1.310 291 2HD PRO 31 HD1 PRO 31 7.284 7.255 2.060 292 H ASN 32 HN ASN 32 5.944 10.689 0.073 293 HA ASN 32 HA ASN 32 4.204 12.664 -0.579 294 1HB ASN 32 HB2 ASN 32 6.430 11.352 -2.051 295 2HB ASN 32 HB1 ASN 32 5.386 12.439 -2.963 296 1HD2 ASN 32 1HD2 ASN 32 7.753 12.165 -0.458 297 2HD2 ASN 32 2HD2 ASN 32 8.047 13.855 -0.262 298 H GLN 33 HN GLN 33 4.696 9.971 -2.868 299 HA GLN 33 HA GLN 33 2.314 10.470 -4.273 300 1HB GLN 33 HB2 GLN 33 3.607 7.766 -4.180 301 2HB GLN 33 HB1 GLN 33 2.773 8.544 -5.518 302 1HG GLN 33 HG2 GLN 33 4.819 10.271 -5.114 303 2HG GLN 33 HG1 GLN 33 5.570 8.741 -4.661 304 1HE2 GLN 33 1HE2 GLN 33 6.832 8.281 -6.342 305 2HE2 GLN 33 2HE2 GLN 33 6.305 8.157 -7.982 306 H ALA 34 HN ALA 34 2.976 8.650 -1.406 307 HA ALA 34 HA ALA 34 0.792 6.914 -1.369 308 1HB ALA 34 HB1 ALA 34 1.142 7.385 1.256 309 2HB ALA 34 HB2 ALA 34 2.673 7.996 0.629 310 3HB ALA 34 HB3 ALA 34 2.190 6.331 0.308 311 H LEU 35 HN LEU 35 1.088 10.301 -0.498 312 HA LEU 35 HA LEU 35 -1.689 10.347 0.409 313 1HB LEU 35 HB2 LEU 35 -0.004 12.805 0.253 314 2HB LEU 35 HB1 LEU 35 -1.266 12.394 1.398 315 HG LEU 35 HG LEU 35 0.899 10.547 1.710 316 1HD1 LEU 35 1HD1 LEU 35 1.713 13.436 1.979 317 2HD1 LEU 35 2HD1 LEU 35 2.226 12.371 0.669 318 3HD1 LEU 35 3HD1 LEU 35 2.693 12.012 2.332 319 1HD2 LEU 35 1HD2 LEU 35 -0.666 12.469 3.317 320 2HD2 LEU 35 2HD2 LEU 35 0.914 12.016 3.956 321 3HD2 LEU 35 3HD2 LEU 35 -0.290 10.772 3.621 322 H LEU 36 HN LEU 36 0.283 11.171 -2.298 323 HA LEU 36 HA LEU 36 -1.297 13.134 -3.484 324 1HB LEU 36 HB2 LEU 36 0.963 11.542 -4.197 325 2HB LEU 36 HB1 LEU 36 -0.151 11.591 -5.549 326 HG LEU 36 HG LEU 36 0.085 14.241 -4.557 327 1HD1 LEU 36 1HD1 LEU 36 2.686 12.761 -4.769 328 2HD1 LEU 36 2HD1 LEU 36 2.131 13.851 -3.497 329 3HD1 LEU 36 3HD1 LEU 36 2.576 14.494 -5.078 330 1HD2 LEU 36 1HD2 LEU 36 0.773 14.730 -6.774 331 2HD2 LEU 36 2HD2 LEU 36 -0.386 13.404 -6.884 332 3HD2 LEU 36 3HD2 LEU 36 1.342 13.082 -7.034 333 H ARG 37 HN ARG 37 -1.423 9.593 -3.849 334 HA ARG 37 HA ARG 37 -3.890 9.957 -5.396 335 1HB ARG 37 HB2 ARG 37 -3.536 7.578 -6.107 336 2HB ARG 37 HB1 ARG 37 -2.300 8.707 -6.644 337 1HG ARG 37 HG2 ARG 37 -0.685 7.765 -5.361 338 2HG ARG 37 HG1 ARG 37 -1.815 7.288 -4.092 339 1HD ARG 37 HD2 ARG 37 -2.458 5.362 -5.211 340 2HD ARG 37 HD1 ARG 37 -1.932 5.978 -6.777 341 HE ARG 37 HE ARG 37 0.233 5.621 -4.940 342 1HH1 ARG 37 1HH1 ARG 37 -1.828 3.991 -7.236 343 2HH1 ARG 37 2HH1 ARG 37 -0.679 2.737 -7.566 344 1HH2 ARG 37 1HH2 ARG 37 1.746 3.973 -5.374 345 2HH2 ARG 37 2HH2 ARG 37 1.349 2.727 -6.509 346 H ILE 38 HN ILE 38 -2.714 8.551 -2.412 347 HA ILE 38 HA ILE 38 -5.052 6.918 -2.072 348 HB ILE 38 HB ILE 38 -3.131 7.755 0.087 349 1HG1 ILE 38 2HG1 ILE 38 -3.029 5.333 -1.725 350 2HG1 ILE 38 1HG1 ILE 38 -1.971 6.734 -1.856 351 1HG2 ILE 38 1HG2 ILE 38 -3.996 6.049 1.377 352 2HG2 ILE 38 2HG2 ILE 38 -4.638 5.180 -0.017 353 3HG2 ILE 38 3HG2 ILE 38 -5.438 6.644 0.554 354 1HD1 ILE 38 1HD1 ILE 38 -1.373 6.175 0.608 355 2HD1 ILE 38 2HD1 ILE 38 -0.663 5.237 -0.705 356 3HD1 ILE 38 3HD1 ILE 38 -2.023 4.586 0.210 357 H LEU 39 HN LEU 39 -4.093 10.140 -1.018 358 HA LEU 39 HA LEU 39 -6.391 10.409 0.684 359 1HB LEU 39 HB2 LEU 39 -4.123 12.149 -0.117 360 2HB LEU 39 HB1 LEU 39 -5.576 12.931 0.463 361 HG LEU 39 HG LEU 39 -5.401 11.534 2.543 362 1HD1 LEU 39 1HD1 LEU 39 -2.548 11.043 2.088 363 2HD1 LEU 39 2HD1 LEU 39 -3.636 10.033 1.136 364 3HD1 LEU 39 3HD1 LEU 39 -3.761 10.049 2.895 365 1HD2 LEU 39 1HD2 LEU 39 -3.787 12.950 3.573 366 2HD2 LEU 39 2HD2 LEU 39 -4.608 13.897 2.331 367 3HD2 LEU 39 3HD2 LEU 39 -2.990 13.261 2.030 368 H LYS 40 HN LYS 40 -5.528 11.309 -2.619 369 HA LYS 40 HA LYS 40 -8.092 12.708 -2.891 370 1HB LYS 40 HB2 LYS 40 -5.745 12.547 -4.782 371 2HB LYS 40 HB1 LYS 40 -7.205 13.491 -5.049 372 1HG LYS 40 HG2 LYS 40 -5.982 15.145 -4.167 373 2HG LYS 40 HG1 LYS 40 -6.474 14.421 -2.635 374 1HD LYS 40 HD2 LYS 40 -4.247 14.430 -2.243 375 2HD LYS 40 HD1 LYS 40 -4.300 12.929 -3.173 376 1HE LYS 40 HE2 LYS 40 -2.569 14.148 -4.158 377 2HE LYS 40 HE1 LYS 40 -3.944 14.415 -5.228 378 1HZ LYS 40 HZ1 LYS 40 -3.374 16.556 -4.988 379 2HZ LYS 40 HZ2 LYS 40 -2.509 16.293 -3.558 380 3HZ LYS 40 HZ3 LYS 40 -4.192 16.455 -3.510 381 H GLU 41 HN GLU 41 -6.716 9.673 -3.538 382 HA GLU 41 HA GLU 41 -9.005 9.021 -5.254 383 1HB GLU 41 HB2 GLU 41 -6.480 7.695 -5.994 384 2HB GLU 41 HB1 GLU 41 -7.773 8.311 -7.014 385 1HG GLU 41 HG2 GLU 41 -6.941 10.535 -6.847 386 2HG GLU 41 HG1 GLU 41 -5.767 10.056 -5.622 387 H THR 42 HN THR 42 -9.254 8.345 -2.768 388 HA THR 42 HA THR 42 -9.573 5.596 -2.717 389 HB THR 42 HB THR 42 -6.916 6.538 -1.846 390 HG1 THR 42 HG1 THR 42 -6.369 4.457 -2.487 391 1HG2 THR 42 1HG2 THR 42 -8.559 4.789 -0.102 392 2HG2 THR 42 2HG2 THR 42 -7.353 6.003 0.322 393 3HG2 THR 42 3HG2 THR 42 -6.842 4.433 -0.305 394 H GLU 43 HN GLU 43 -8.181 7.637 -0.190 395 HA GLU 43 HA GLU 43 -10.016 6.957 1.784 396 1HB GLU 43 HB2 GLU 43 -8.957 8.538 3.109 397 2HB GLU 43 HB1 GLU 43 -7.718 8.199 1.904 398 1HG GLU 43 HG2 GLU 43 -8.298 10.177 0.673 399 2HG GLU 43 HG1 GLU 43 -9.662 10.488 1.745 400 H PHE 44 HN PHE 44 -9.923 9.669 -0.470 401 HA PHE 44 HA PHE 44 -11.943 11.220 0.491 402 1HB PHE 44 HB2 PHE 44 -10.612 10.888 -2.048 403 2HB PHE 44 HB1 PHE 44 -12.316 11.251 -2.293 404 HD1 PHE 44 HD1 PHE 44 -9.965 12.420 0.343 405 HD2 PHE 44 HD2 PHE 44 -12.410 13.451 -2.985 406 HE1 PHE 44 HE1 PHE 44 -9.514 14.803 0.755 407 HE2 PHE 44 HE2 PHE 44 -11.962 15.836 -2.580 408 HZ PHE 44 HZ PHE 44 -10.513 16.515 -0.707 409 H LYS 45 HN LYS 45 -12.117 8.136 -0.988 410 HA LYS 45 HA LYS 45 -14.909 8.233 -1.566 411 1HB LYS 45 HB2 LYS 45 -13.153 5.803 -1.401 412 2HB LYS 45 HB1 LYS 45 -14.608 6.013 -2.368 413 1HG LYS 45 HG2 LYS 45 -11.891 7.220 -2.810 414 2HG LYS 45 HG1 LYS 45 -12.757 6.086 -3.845 415 1HD LYS 45 HD2 LYS 45 -13.993 7.710 -4.805 416 2HD LYS 45 HD1 LYS 45 -14.160 8.619 -3.302 417 1HE LYS 45 HE2 LYS 45 -12.287 9.843 -3.672 418 2HE LYS 45 HE1 LYS 45 -11.459 8.524 -4.498 419 1HZ LYS 45 HZ1 LYS 45 -12.844 8.931 -6.444 420 2HZ LYS 45 HZ2 LYS 45 -11.967 10.315 -6.024 421 3HZ LYS 45 HZ3 LYS 45 -13.614 10.214 -5.651 422 H LYS 46 HN LYS 46 -12.876 6.454 0.756 423 HA LYS 46 HA LYS 46 -15.129 5.356 2.132 424 1HB LYS 46 HB2 LYS 46 -13.403 4.557 3.757 425 2HB LYS 46 HB1 LYS 46 -13.120 4.073 2.090 426 1HG LYS 46 HG2 LYS 46 -11.264 5.376 1.877 427 2HG LYS 46 HG1 LYS 46 -11.827 6.565 3.055 428 1HD LYS 46 HD2 LYS 46 -10.249 5.581 4.349 429 2HD LYS 46 HD1 LYS 46 -11.556 4.439 4.667 430 1HE LYS 46 HE2 LYS 46 -10.711 2.920 3.015 431 2HE LYS 46 HE1 LYS 46 -9.508 4.094 2.484 432 1HZ LYS 46 HZ1 LYS 46 -9.576 2.520 4.977 433 2HZ LYS 46 HZ2 LYS 46 -8.688 3.958 4.895 434 3HZ LYS 46 HZ3 LYS 46 -8.320 2.677 3.853 435 H ILE 47 HN ILE 47 -13.448 8.347 2.387 436 HA ILE 47 HA ILE 47 -13.720 8.853 5.127 437 HB ILE 47 HB ILE 47 -13.624 11.252 4.560 438 1HG1 ILE 47 2HG1 ILE 47 -13.101 11.524 1.948 439 2HG1 ILE 47 1HG1 ILE 47 -14.233 10.180 1.854 440 1HG2 ILE 47 1HG2 ILE 47 -11.430 10.958 4.477 441 2HG2 ILE 47 2HG2 ILE 47 -11.531 10.483 2.781 442 3HG2 ILE 47 3HG2 ILE 47 -11.685 9.266 4.049 443 1HD1 ILE 47 1HD1 ILE 47 -15.824 11.726 1.839 444 2HD1 ILE 47 2HD1 ILE 47 -14.711 12.992 2.358 445 3HD1 ILE 47 3HD1 ILE 47 -15.480 11.947 3.554 446 H LYS 48 HN LYS 48 -15.953 9.542 2.446 447 HA LYS 48 HA LYS 48 -17.918 10.816 4.008 448 1HB LYS 48 HB2 LYS 48 -19.449 10.183 2.083 449 2HB LYS 48 HB1 LYS 48 -18.032 11.138 1.670 450 1HG LYS 48 HG2 LYS 48 -16.920 9.257 0.754 451 2HG LYS 48 HG1 LYS 48 -18.122 8.145 1.414 452 1HD LYS 48 HD2 LYS 48 -19.708 9.759 -0.057 453 2HD LYS 48 HD1 LYS 48 -18.219 9.836 -1.001 454 1HE LYS 48 HE2 LYS 48 -18.637 7.834 -1.863 455 2HE LYS 48 HE1 LYS 48 -18.682 7.126 -0.249 456 1HZ LYS 48 HZ1 LYS 48 -20.969 7.402 -0.110 457 2HZ LYS 48 HZ2 LYS 48 -20.745 6.916 -1.714 458 3HZ LYS 48 HZ3 LYS 48 -21.023 8.546 -1.355 459 H VAL 49 HN VAL 49 -17.011 7.534 3.769 460 HA VAL 49 HA VAL 49 -19.590 6.554 4.720 461 HB VAL 49 HB VAL 49 -17.072 4.973 4.193 462 1HG1 VAL 49 1HG1 VAL 49 -19.121 3.272 3.786 463 2HG1 VAL 49 2HG1 VAL 49 -19.819 4.307 5.031 464 3HG1 VAL 49 3HG1 VAL 49 -18.302 3.461 5.335 465 1HG2 VAL 49 1HG2 VAL 49 -19.352 5.696 2.367 466 2HG2 VAL 49 2HG2 VAL 49 -18.278 4.332 2.062 467 3HG2 VAL 49 3HG2 VAL 49 -17.628 5.970 2.121 468 H LEU 50 HN LEU 50 -16.264 6.979 5.789 469 HA LEU 50 HA LEU 50 -16.720 5.719 8.340 470 1HB LEU 50 HB2 LEU 50 -14.403 7.432 7.447 471 2HB LEU 50 HB1 LEU 50 -14.442 6.390 8.857 472 HG LEU 50 HG LEU 50 -14.860 5.216 6.136 473 1HD1 LEU 50 1HD1 LEU 50 -12.245 4.758 6.513 474 2HD1 LEU 50 2HD1 LEU 50 -12.369 6.372 7.212 475 3HD1 LEU 50 3HD1 LEU 50 -12.867 6.093 5.544 476 1HD2 LEU 50 1HD2 LEU 50 -13.978 3.235 7.170 477 2HD2 LEU 50 2HD2 LEU 50 -15.253 3.892 8.197 478 3HD2 LEU 50 3HD2 LEU 50 -13.559 4.132 8.630 479 H GLY 51 HN GLY 51 -16.794 8.950 7.028 480 1HA GLY 51 HA2 GLY 51 -17.059 10.104 9.710 481 2HA GLY 51 HA1 GLY 51 -16.834 11.005 8.218 482 H SER 52 HN SER 52 -19.172 8.431 8.494 483 HA SER 52 HA SER 52 -21.293 10.089 7.613 484 1HB SER 52 HB2 SER 52 -20.990 7.256 8.446 485 2HB SER 52 HB1 SER 52 -22.613 7.935 8.548 486 HG SER 52 HG SER 52 -21.014 8.181 6.229 487 H GLY 53 HN GLY 53 -20.231 8.992 10.775 488 1HA GLY 53 HA2 GLY 53 -20.750 9.815 12.865 489 2HA GLY 53 HA1 GLY 53 -21.698 11.070 12.080 Start of MODEL 18 1 1H ARG 1 HT1 ARG 1 -13.926 -8.087 4.593 2 2H ARG 1 HT2 ARG 1 -15.264 -8.741 3.742 3 3H ARG 1 HT3 ARG 1 -15.158 -7.049 4.008 4 HA ARG 1 HA ARG 1 -13.549 -8.746 2.240 5 1HB ARG 1 HB2 ARG 1 -15.471 -6.458 1.981 6 2HB ARG 1 HB1 ARG 1 -14.265 -6.730 0.732 7 1HG ARG 1 HG2 ARG 1 -15.148 -9.114 0.623 8 2HG ARG 1 HG1 ARG 1 -16.510 -8.527 1.579 9 1HD ARG 1 HD2 ARG 1 -16.652 -6.680 -0.243 10 2HD ARG 1 HD1 ARG 1 -15.699 -7.806 -1.209 11 HE ARG 1 HE ARG 1 -17.554 -9.129 -1.439 12 1HH1 ARG 1 1HH1 ARG 1 -18.114 -6.833 1.128 13 2HH1 ARG 1 2HH1 ARG 1 -19.787 -7.240 1.299 14 1HH2 ARG 1 1HH2 ARG 1 -19.756 -9.667 -1.217 15 2HH2 ARG 1 2HH2 ARG 1 -20.720 -8.850 -0.032 16 H ARG 2 HN ARG 2 -11.478 -8.244 1.938 17 HA ARG 2 HA ARG 2 -10.441 -5.792 3.159 18 1HB ARG 2 HB2 ARG 2 -9.347 -8.480 2.601 19 2HB ARG 2 HB1 ARG 2 -8.225 -7.145 2.372 20 1HG ARG 2 HG2 ARG 2 -9.319 -6.513 4.777 21 2HG ARG 2 HG1 ARG 2 -9.335 -8.277 4.833 22 1HD ARG 2 HD2 ARG 2 -7.096 -8.416 4.974 23 2HD ARG 2 HD1 ARG 2 -6.845 -7.113 3.812 24 HE ARG 2 HE ARG 2 -6.559 -5.692 5.567 25 1HH1 ARG 2 1HH1 ARG 2 -8.350 -8.466 6.695 26 2HH1 ARG 2 2HH1 ARG 2 -8.352 -7.949 8.349 27 1HH2 ARG 2 1HH2 ARG 2 -6.560 -5.010 7.740 28 2HH2 ARG 2 2HH2 ARG 2 -7.336 -5.987 8.941 29 H ARG 3 HN ARG 3 -8.349 -5.014 1.901 30 HA ARG 3 HA ARG 3 -9.243 -3.823 -0.474 31 1HB ARG 3 HB2 ARG 3 -6.902 -3.731 1.181 32 2HB ARG 3 HB1 ARG 3 -6.407 -3.842 -0.503 33 1HG ARG 3 HG2 ARG 3 -6.584 -1.597 -0.366 34 2HG ARG 3 HG1 ARG 3 -8.270 -1.950 -0.748 35 1HD ARG 3 HD2 ARG 3 -8.172 -2.205 1.996 36 2HD ARG 3 HD1 ARG 3 -7.090 -0.850 1.677 37 HE ARG 3 HE ARG 3 -9.597 -0.658 0.291 38 1HH1 ARG 3 1HH1 ARG 3 -7.948 -0.018 3.301 39 2HH1 ARG 3 2HH1 ARG 3 -9.033 1.248 3.770 40 1HH2 ARG 3 1HH2 ARG 3 -11.023 1.007 0.907 41 2HH2 ARG 3 2HH2 ARG 3 -10.779 1.829 2.413 42 H HIS 4 HN HIS 4 -8.696 -4.166 -2.640 43 HA HIS 4 HA HIS 4 -7.898 -6.927 -3.246 44 1HB HIS 4 HB2 HIS 4 -9.658 -4.940 -4.624 45 2HB HIS 4 HB1 HIS 4 -8.865 -6.188 -5.579 46 HD1 HIS 4 HD1 HIS 4 -11.619 -5.640 -3.160 47 HD2 HIS 4 HD2 HIS 4 -9.740 -8.836 -5.036 48 HE1 HIS 4 HE1 HIS 4 -13.133 -7.615 -2.800 49 HE2 HIS 4 HE2 HIS 4 -12.014 -9.520 -4.010 50 H ILE 5 HN ILE 5 -6.029 -4.738 -2.649 51 HA ILE 5 HA ILE 5 -4.611 -4.680 -5.229 52 HB ILE 5 HB ILE 5 -5.280 -2.437 -4.597 53 1HG1 ILE 5 2HG1 ILE 5 -2.957 -1.401 -4.430 54 2HG1 ILE 5 1HG1 ILE 5 -2.340 -3.048 -4.358 55 1HG2 ILE 5 1HG2 ILE 5 -4.238 -3.267 -1.977 56 2HG2 ILE 5 2HG2 ILE 5 -5.539 -2.146 -2.380 57 3HG2 ILE 5 3HG2 ILE 5 -3.859 -1.614 -2.460 58 1HD1 ILE 5 1HD1 ILE 5 -2.263 -2.989 -6.569 59 2HD1 ILE 5 2HD1 ILE 5 -3.196 -1.493 -6.630 60 3HD1 ILE 5 3HD1 ILE 5 -4.025 -3.048 -6.554 61 H VAL 6 HN VAL 6 -2.495 -5.172 -5.264 62 HA VAL 6 HA VAL 6 -0.502 -6.088 -4.633 63 HB VAL 6 HB VAL 6 -1.234 -5.317 -1.805 64 1HG1 VAL 6 1HG1 VAL 6 0.865 -5.854 -1.190 65 2HG1 VAL 6 2HG1 VAL 6 1.564 -5.304 -2.713 66 3HG1 VAL 6 3HG1 VAL 6 0.807 -6.893 -2.614 67 1HG2 VAL 6 1HG2 VAL 6 0.492 -3.407 -2.572 68 2HG2 VAL 6 2HG2 VAL 6 -1.260 -3.234 -2.683 69 3HG2 VAL 6 3HG2 VAL 6 -0.327 -3.704 -4.105 70 H ARG 7 HN ARG 7 0.165 -8.139 -4.207 71 HA ARG 7 HA ARG 7 -1.676 -9.858 -2.677 72 1HB ARG 7 HB2 ARG 7 -1.080 -10.014 -5.412 73 2HB ARG 7 HB1 ARG 7 -0.168 -11.318 -4.667 74 1HG ARG 7 HG2 ARG 7 -2.265 -12.207 -5.311 75 2HG ARG 7 HG1 ARG 7 -2.291 -12.045 -3.553 76 1HD ARG 7 HD2 ARG 7 -4.382 -11.253 -4.325 77 2HD ARG 7 HD1 ARG 7 -3.440 -9.827 -3.893 78 HE ARG 7 HE ARG 7 -3.234 -10.549 -6.667 79 1HH1 ARG 7 1HH1 ARG 7 -5.099 -8.784 -4.303 80 2HH1 ARG 7 2HH1 ARG 7 -5.775 -7.695 -5.466 81 1HH2 ARG 7 1HH2 ARG 7 -4.124 -9.116 -8.199 82 2HH2 ARG 7 2HH2 ARG 7 -5.222 -7.883 -7.678 83 H LYS 8 HN LYS 8 -0.538 -12.015 -2.114 84 HA LYS 8 HA LYS 8 1.602 -11.452 -0.390 85 1HB LYS 8 HB2 LYS 8 1.742 -13.867 -0.050 86 2HB LYS 8 HB1 LYS 8 0.068 -13.331 -0.039 87 1HG LYS 8 HG2 LYS 8 -0.408 -14.828 -1.592 88 2HG LYS 8 HG1 LYS 8 0.699 -14.019 -2.703 89 1HD LYS 8 HD2 LYS 8 2.518 -15.362 -1.367 90 2HD LYS 8 HD1 LYS 8 1.150 -16.402 -0.964 91 1HE LYS 8 HE2 LYS 8 0.766 -16.150 -3.609 92 2HE LYS 8 HE1 LYS 8 2.520 -15.974 -3.547 93 1HZ LYS 8 HZ1 LYS 8 2.804 -18.110 -2.922 94 2HZ LYS 8 HZ2 LYS 8 1.315 -18.321 -3.696 95 3HZ LYS 8 HZ3 LYS 8 1.378 -18.169 -2.012 96 H ARG 9 HN ARG 9 1.529 -12.279 -3.740 97 HA ARG 9 HA ARG 9 4.153 -13.320 -3.975 98 1HB ARG 9 HB2 ARG 9 3.905 -12.858 -6.381 99 2HB ARG 9 HB1 ARG 9 2.497 -13.680 -5.724 100 1HG ARG 9 HG2 ARG 9 1.191 -12.078 -6.509 101 2HG ARG 9 HG1 ARG 9 2.040 -10.891 -5.517 102 1HD ARG 9 HD2 ARG 9 3.397 -11.742 -8.001 103 2HD ARG 9 HD1 ARG 9 1.931 -10.783 -8.201 104 HE ARG 9 HE ARG 9 3.578 -9.549 -6.293 105 1HH1 ARG 9 1HH1 ARG 9 3.480 -10.200 -9.720 106 2HH1 ARG 9 2HH1 ARG 9 4.419 -8.807 -10.138 107 1HH2 ARG 9 1HH2 ARG 9 4.813 -7.715 -6.842 108 2HH2 ARG 9 2HH2 ARG 9 5.176 -7.397 -8.505 109 H THR 10 HN THR 10 2.844 -10.106 -3.852 110 HA THR 10 HA THR 10 4.912 -8.630 -4.962 111 HB THR 10 HB THR 10 3.047 -7.999 -2.688 112 HG1 THR 10 HG1 THR 10 1.993 -6.806 -4.299 113 1HG2 THR 10 1HG2 THR 10 3.923 -5.633 -3.938 114 2HG2 THR 10 2HG2 THR 10 5.354 -6.541 -3.446 115 3HG2 THR 10 3HG2 THR 10 4.119 -6.127 -2.256 116 H LEU 11 HN LEU 11 4.632 -10.033 -1.731 117 HA LEU 11 HA LEU 11 6.589 -8.778 -0.316 118 1HB LEU 11 HB2 LEU 11 5.761 -11.653 -0.436 119 2HB LEU 11 HB1 LEU 11 7.115 -11.184 0.574 120 HG LEU 11 HG LEU 11 5.698 -9.708 1.874 121 1HD1 LEU 11 1HD1 LEU 11 3.234 -9.715 1.457 122 2HD1 LEU 11 2HD1 LEU 11 3.557 -10.506 -0.085 123 3HD1 LEU 11 3HD1 LEU 11 4.187 -8.888 0.225 124 1HD2 LEU 11 1HD2 LEU 11 4.599 -12.483 1.472 125 2HD2 LEU 11 2HD2 LEU 11 4.102 -11.414 2.785 126 3HD2 LEU 11 3HD2 LEU 11 5.779 -11.949 2.671 127 H ARG 12 HN ARG 12 6.983 -10.896 -3.020 128 HA ARG 12 HA ARG 12 9.736 -11.444 -2.722 129 1HB ARG 12 HB2 ARG 12 7.663 -11.933 -4.680 130 2HB ARG 12 HB1 ARG 12 9.180 -11.515 -5.463 131 1HG ARG 12 HG2 ARG 12 10.299 -13.287 -4.147 132 2HG ARG 12 HG1 ARG 12 8.726 -13.744 -3.491 133 1HD ARG 12 HD2 ARG 12 9.239 -15.211 -5.312 134 2HD ARG 12 HD1 ARG 12 7.939 -14.134 -5.817 135 HE ARG 12 HE ARG 12 10.099 -12.843 -6.725 136 1HH1 ARG 12 1HH1 ARG 12 9.135 -16.189 -6.992 137 2HH1 ARG 12 2HH1 ARG 12 9.929 -16.424 -8.512 138 1HH2 ARG 12 1HH2 ARG 12 11.139 -13.152 -8.726 139 2HH2 ARG 12 2HH2 ARG 12 11.065 -14.702 -9.497 140 H ARG 13 HN ARG 13 7.977 -8.834 -4.291 141 HA ARG 13 HA ARG 13 10.324 -7.696 -5.488 142 1HB ARG 13 HB2 ARG 13 8.924 -5.945 -6.246 143 2HB ARG 13 HB1 ARG 13 7.936 -7.398 -6.312 144 1HG ARG 13 HG2 ARG 13 6.392 -6.336 -5.141 145 2HG ARG 13 HG1 ARG 13 7.501 -6.307 -3.771 146 1HD ARG 13 HD2 ARG 13 8.450 -4.192 -4.639 147 2HD ARG 13 HD1 ARG 13 7.246 -4.213 -5.925 148 HE ARG 13 HE ARG 13 5.878 -4.409 -3.516 149 1HH1 ARG 13 1HH1 ARG 13 7.921 -2.104 -5.156 150 2HH1 ARG 13 2HH1 ARG 13 7.180 -0.728 -4.410 151 1HH2 ARG 13 1HH2 ARG 13 4.903 -2.601 -2.534 152 2HH2 ARG 13 2HH2 ARG 13 5.467 -1.010 -2.921 153 H LEU 14 HN LEU 14 8.592 -7.385 -2.498 154 HA LEU 14 HA LEU 14 9.849 -4.985 -1.603 155 1HB LEU 14 HB2 LEU 14 7.740 -6.548 -0.742 156 2HB LEU 14 HB1 LEU 14 8.950 -6.802 0.501 157 HG LEU 14 HG LEU 14 8.297 -4.010 -0.345 158 1HD1 LEU 14 1HD1 LEU 14 6.181 -5.399 0.158 159 2HD1 LEU 14 2HD1 LEU 14 6.401 -3.854 0.979 160 3HD1 LEU 14 3HD1 LEU 14 6.747 -5.361 1.828 161 1HD2 LEU 14 1HD2 LEU 14 9.568 -5.394 1.941 162 2HD2 LEU 14 2HD2 LEU 14 8.625 -3.948 2.304 163 3HD2 LEU 14 3HD2 LEU 14 9.974 -3.859 1.172 164 H LEU 15 HN LEU 15 10.346 -8.423 -0.767 165 HA LEU 15 HA LEU 15 12.511 -8.040 0.945 166 1HB LEU 15 HB2 LEU 15 12.943 -10.357 0.754 167 2HB LEU 15 HB1 LEU 15 11.205 -10.156 0.646 168 HG LEU 15 HG LEU 15 11.627 -10.207 -1.932 169 1HD1 LEU 15 1HD1 LEU 15 14.198 -11.154 -0.786 170 2HD1 LEU 15 2HD1 LEU 15 13.882 -10.250 -2.267 171 3HD1 LEU 15 3HD1 LEU 15 13.561 -11.983 -2.206 172 1HD2 LEU 15 1HD2 LEU 15 10.317 -11.867 -0.810 173 2HD2 LEU 15 2HD2 LEU 15 11.761 -12.619 -0.132 174 3HD2 LEU 15 3HD2 LEU 15 11.461 -12.693 -1.869 175 H GLN 16 HN GLN 16 12.323 -8.007 -2.515 176 HA GLN 16 HA GLN 16 15.211 -8.151 -2.833 177 1HB GLN 16 HB2 GLN 16 12.879 -8.098 -4.713 178 2HB GLN 16 HB1 GLN 16 14.488 -7.711 -5.307 179 1HG GLN 16 HG2 GLN 16 15.026 -9.988 -3.999 180 2HG GLN 16 HG1 GLN 16 13.348 -10.288 -4.450 181 1HE2 GLN 16 1HE2 GLN 16 13.387 -11.606 -6.129 182 2HE2 GLN 16 2HE2 GLN 16 14.346 -11.405 -7.552 183 H GLU 17 HN GLU 17 12.829 -5.755 -2.360 184 HA GLU 17 HA GLU 17 14.353 -3.669 -3.699 185 1HB GLU 17 HB2 GLU 17 11.623 -4.009 -2.860 186 2HB GLU 17 HB1 GLU 17 12.268 -2.521 -2.185 187 1HG GLU 17 HG2 GLU 17 11.989 -1.509 -4.123 188 2HG GLU 17 HG1 GLU 17 13.080 -2.660 -4.893 189 H ARG 18 HN ARG 18 15.143 -5.207 -1.118 190 HA ARG 18 HA ARG 18 15.215 -3.183 0.906 191 1HB ARG 18 HB2 ARG 18 16.582 -4.762 2.157 192 2HB ARG 18 HB1 ARG 18 15.189 -5.580 1.463 193 1HG ARG 18 HG2 ARG 18 16.501 -6.636 -0.184 194 2HG ARG 18 HG1 ARG 18 17.883 -5.589 0.141 195 1HD ARG 18 HD2 ARG 18 18.641 -7.203 1.476 196 2HD ARG 18 HD1 ARG 18 17.348 -6.762 2.590 197 HE ARG 18 HE ARG 18 16.243 -8.688 2.025 198 1HH1 ARG 18 1HH1 ARG 18 18.779 -8.107 -0.301 199 2HH1 ARG 18 2HH1 ARG 18 18.602 -9.651 -1.067 200 1HH2 ARG 18 1HH2 ARG 18 16.009 -10.719 1.020 201 2HH2 ARG 18 2HH2 ARG 18 17.029 -11.133 -0.318 202 H GLU 19 HN GLU 19 17.377 -4.317 -1.610 203 HA GLU 19 HA GLU 19 18.886 -1.930 -1.598 204 1HB GLU 19 HB2 GLU 19 21.009 -2.691 -0.776 205 2HB GLU 19 HB1 GLU 19 19.801 -2.997 0.464 206 1HG GLU 19 HG2 GLU 19 19.693 -5.363 -0.602 207 2HG GLU 19 HG1 GLU 19 21.265 -4.931 -1.271 208 H LEU 20 HN LEU 20 17.517 -3.481 -3.506 209 HA LEU 20 HA LEU 20 19.741 -4.348 -5.236 210 1HB LEU 20 HB2 LEU 20 17.769 -5.966 -4.372 211 2HB LEU 20 HB1 LEU 20 17.008 -5.324 -5.815 212 HG LEU 20 HG LEU 20 19.774 -6.363 -6.102 213 1HD1 LEU 20 1HD1 LEU 20 18.110 -7.931 -4.686 214 2HD1 LEU 20 2HD1 LEU 20 19.330 -8.551 -5.799 215 3HD1 LEU 20 3HD1 LEU 20 17.654 -8.396 -6.325 216 1HD2 LEU 20 1HD2 LEU 20 18.597 -7.289 -8.197 217 2HD2 LEU 20 2HD2 LEU 20 18.870 -5.551 -8.086 218 3HD2 LEU 20 3HD2 LEU 20 17.273 -6.216 -7.744 219 H VAL 21 HN VAL 21 16.557 -2.809 -5.127 220 HA VAL 21 HA VAL 21 17.034 -1.686 -7.800 221 HB VAL 21 HB VAL 21 14.468 -1.596 -6.214 222 1HG1 VAL 21 1HG1 VAL 21 15.086 -1.095 -9.122 223 2HG1 VAL 21 2HG1 VAL 21 14.602 0.103 -7.923 224 3HG1 VAL 21 3HG1 VAL 21 13.466 -1.148 -8.428 225 1HG2 VAL 21 1HG2 VAL 21 15.357 -3.581 -8.304 226 2HG2 VAL 21 2HG2 VAL 21 13.710 -3.434 -7.692 227 3HG2 VAL 21 3HG2 VAL 21 15.014 -3.913 -6.606 228 H GLU 22 HN GLU 22 15.689 -0.637 -4.661 229 HA GLU 22 HA GLU 22 17.254 1.785 -4.739 230 1HB GLU 22 HB2 GLU 22 14.293 1.791 -5.214 231 2HB GLU 22 HB1 GLU 22 15.056 3.144 -4.388 232 1HG GLU 22 HG2 GLU 22 16.599 3.347 -6.353 233 2HG GLU 22 HG1 GLU 22 15.590 2.159 -7.176 234 HA PRO 23 HA PRO 23 16.622 0.458 -0.441 235 1HB PRO 23 HB2 PRO 23 18.890 1.522 0.537 236 2HB PRO 23 HB1 PRO 23 18.885 0.018 -0.393 237 1HG PRO 23 HG2 PRO 23 19.544 2.799 -1.293 238 2HG PRO 23 HG1 PRO 23 20.395 1.282 -1.639 239 1HD PRO 23 HD2 PRO 23 18.666 2.444 -3.390 240 2HD PRO 23 HD1 PRO 23 18.925 0.691 -3.304 241 H LEU 24 HN LEU 24 16.057 3.333 -1.840 242 HA LEU 24 HA LEU 24 15.586 4.640 0.748 243 1HB LEU 24 HB2 LEU 24 15.915 6.830 -0.604 244 2HB LEU 24 HB1 LEU 24 17.311 5.968 0.007 245 HG LEU 24 HG LEU 24 17.546 6.854 -2.323 246 1HD1 LEU 24 1HD1 LEU 24 18.958 5.182 -2.881 247 2HD1 LEU 24 2HD1 LEU 24 17.762 3.922 -2.590 248 3HD1 LEU 24 3HD1 LEU 24 18.607 4.664 -1.232 249 1HD2 LEU 24 1HD2 LEU 24 15.862 4.585 -3.273 250 2HD2 LEU 24 2HD2 LEU 24 16.316 6.077 -4.096 251 3HD2 LEU 24 3HD2 LEU 24 15.090 6.107 -2.829 252 H THR 25 HN THR 25 13.771 3.037 -0.749 253 HA THR 25 HA THR 25 11.717 5.062 -1.290 254 HB THR 25 HB THR 25 10.933 3.933 -3.239 255 HG1 THR 25 HG1 THR 25 11.199 1.812 -2.798 256 1HG2 THR 25 1HG2 THR 25 13.086 3.703 -4.646 257 2HG2 THR 25 2HG2 THR 25 13.885 4.349 -3.212 258 3HG2 THR 25 3HG2 THR 25 12.625 5.285 -4.017 259 HA PRO 26 HA PRO 26 9.942 2.222 1.785 260 1HB PRO 26 HB2 PRO 26 7.897 3.878 2.486 261 2HB PRO 26 HB1 PRO 26 9.530 4.023 3.145 262 1HG PRO 26 HG2 PRO 26 8.234 5.572 0.937 263 2HG PRO 26 HG1 PRO 26 9.264 6.154 2.258 264 1HD PRO 26 HD2 PRO 26 10.204 5.771 -0.245 265 2HD PRO 26 HD1 PRO 26 11.208 5.507 1.195 266 H SER 27 HN SER 27 8.422 3.819 -0.929 267 HA SER 27 HA SER 27 6.683 1.502 -1.284 268 1HB SER 27 HB2 SER 27 4.675 2.713 -1.445 269 2HB SER 27 HB1 SER 27 5.474 3.420 -0.041 270 HG SER 27 HG SER 27 4.987 4.506 -2.553 271 H GLY 28 HN GLY 28 7.437 4.709 -2.664 272 1HA GLY 28 HA2 GLY 28 8.576 3.681 -5.026 273 2HA GLY 28 HA1 GLY 28 6.885 4.053 -5.329 274 H GLU 29 HN GLU 29 9.997 5.266 -5.303 275 HA GLU 29 HA GLU 29 10.857 7.307 -5.814 276 1HB GLU 29 HB2 GLU 29 7.950 8.041 -6.172 277 2HB GLU 29 HB1 GLU 29 9.278 9.143 -6.498 278 1HG GLU 29 HG2 GLU 29 8.516 8.140 -8.547 279 2HG GLU 29 HG1 GLU 29 10.147 7.584 -8.176 280 H ALA 30 HN ALA 30 7.922 7.837 -3.834 281 HA ALA 30 HA ALA 30 9.397 8.615 -1.548 282 1HB ALA 30 HB1 ALA 30 9.455 10.607 -3.337 283 2HB ALA 30 HB2 ALA 30 9.424 10.878 -1.595 284 3HB ALA 30 HB3 ALA 30 7.933 10.986 -2.531 285 HA PRO 31 HA PRO 31 5.604 7.644 0.464 286 1HB PRO 31 HB2 PRO 31 6.090 10.002 2.209 287 2HB PRO 31 HB1 PRO 31 5.819 8.311 2.649 288 1HG PRO 31 HG2 PRO 31 8.253 9.386 2.798 289 2HG PRO 31 HG1 PRO 31 8.023 7.715 2.248 290 1HD PRO 31 HD2 PRO 31 8.613 10.173 0.655 291 2HD PRO 31 HD1 PRO 31 9.193 8.511 0.425 292 H ASN 32 HN ASN 32 6.179 11.093 -0.131 293 HA ASN 32 HA ASN 32 3.721 12.195 0.173 294 1HB ASN 32 HB2 ASN 32 6.034 12.757 -1.550 295 2HB ASN 32 HB1 ASN 32 4.515 13.429 -2.136 296 1HD2 ASN 32 1HD2 ASN 32 3.195 14.496 -0.325 297 2HD2 ASN 32 2HD2 ASN 32 4.082 15.554 0.715 298 H GLN 33 HN GLN 33 4.839 10.650 -2.836 299 HA GLN 33 HA GLN 33 2.544 10.958 -4.348 300 1HB GLN 33 HB2 GLN 33 3.280 9.121 -5.701 301 2HB GLN 33 HB1 GLN 33 4.680 10.061 -5.204 302 1HG GLN 33 HG2 GLN 33 5.619 8.208 -4.449 303 2HG GLN 33 HG1 GLN 33 4.329 8.067 -3.256 304 1HE2 GLN 33 1HE2 GLN 33 3.816 5.984 -3.236 305 2HE2 GLN 33 2HE2 GLN 33 3.403 5.038 -4.621 306 H ALA 34 HN ALA 34 3.088 8.825 -1.671 307 HA ALA 34 HA ALA 34 0.981 6.998 -2.187 308 1HB ALA 34 HB1 ALA 34 1.487 6.076 -0.158 309 2HB ALA 34 HB2 ALA 34 1.725 7.642 0.617 310 3HB ALA 34 HB3 ALA 34 2.980 6.974 -0.427 311 H LEU 35 HN LEU 35 1.225 9.715 0.089 312 HA LEU 35 HA LEU 35 -1.550 9.818 0.657 313 1HB LEU 35 HB2 LEU 35 0.324 12.167 0.835 314 2HB LEU 35 HB1 LEU 35 -1.102 11.845 1.802 315 HG LEU 35 HG LEU 35 0.960 9.780 2.053 316 1HD1 LEU 35 1HD1 LEU 35 2.661 10.968 3.014 317 2HD1 LEU 35 2HD1 LEU 35 1.622 12.331 3.434 318 3HD1 LEU 35 3HD1 LEU 35 2.149 12.105 1.766 319 1HD2 LEU 35 1HD2 LEU 35 0.005 11.357 4.355 320 2HD2 LEU 35 2HD2 LEU 35 0.129 9.611 4.145 321 3HD2 LEU 35 3HD2 LEU 35 -1.228 10.489 3.441 322 H LEU 36 HN LEU 36 0.498 11.184 -1.800 323 HA LEU 36 HA LEU 36 -1.112 13.212 -2.790 324 1HB LEU 36 HB2 LEU 36 1.272 11.953 -3.543 325 2HB LEU 36 HB1 LEU 36 0.222 11.843 -4.943 326 HG LEU 36 HG LEU 36 -0.116 14.307 -4.823 327 1HD1 LEU 36 1HD1 LEU 36 0.914 15.656 -3.300 328 2HD1 LEU 36 2HD1 LEU 36 2.242 14.527 -3.030 329 3HD1 LEU 36 3HD1 LEU 36 0.665 14.222 -2.304 330 1HD2 LEU 36 1HD2 LEU 36 2.395 14.796 -5.387 331 2HD2 LEU 36 2HD2 LEU 36 1.424 13.764 -6.436 332 3HD2 LEU 36 3HD2 LEU 36 2.544 13.042 -5.280 333 H ARG 37 HN ARG 37 -1.111 9.740 -3.670 334 HA ARG 37 HA ARG 37 -3.552 10.269 -5.210 335 1HB ARG 37 HB2 ARG 37 -3.136 8.089 -6.275 336 2HB ARG 37 HB1 ARG 37 -1.784 9.195 -6.476 337 1HG ARG 37 HG2 ARG 37 -0.421 7.672 -5.636 338 2HG ARG 37 HG1 ARG 37 -1.312 7.717 -4.114 339 1HD ARG 37 HD2 ARG 37 -2.837 6.015 -4.925 340 2HD ARG 37 HD1 ARG 37 -2.037 6.013 -6.496 341 HE ARG 37 HE ARG 37 -0.253 5.430 -4.333 342 1HH1 ARG 37 1HH1 ARG 37 -2.609 4.054 -6.508 343 2HH1 ARG 37 2HH1 ARG 37 -1.956 2.454 -6.403 344 1HH2 ARG 37 1HH2 ARG 37 0.609 3.327 -4.194 345 2HH2 ARG 37 2HH2 ARG 37 -0.129 2.041 -5.088 346 H ILE 38 HN ILE 38 -2.637 8.997 -2.182 347 HA ILE 38 HA ILE 38 -4.659 6.958 -2.089 348 HB ILE 38 HB ILE 38 -2.932 8.218 0.031 349 1HG1 ILE 38 2HG1 ILE 38 -3.045 5.326 -0.752 350 2HG1 ILE 38 1HG1 ILE 38 -2.166 6.478 -1.752 351 1HG2 ILE 38 1HG2 ILE 38 -3.931 6.083 1.309 352 2HG2 ILE 38 2HG2 ILE 38 -5.338 6.525 0.341 353 3HG2 ILE 38 3HG2 ILE 38 -4.625 7.698 1.447 354 1HD1 ILE 38 1HD1 ILE 38 -0.472 5.812 -0.413 355 2HD1 ILE 38 2HD1 ILE 38 -1.540 5.427 0.937 356 3HD1 ILE 38 3HD1 ILE 38 -1.109 7.105 0.604 357 H LEU 39 HN LEU 39 -4.340 10.160 -0.562 358 HA LEU 39 HA LEU 39 -6.985 10.123 0.497 359 1HB LEU 39 HB2 LEU 39 -4.746 11.674 0.882 360 2HB LEU 39 HB1 LEU 39 -5.818 12.771 0.033 361 HG LEU 39 HG LEU 39 -6.549 11.292 2.562 362 1HD1 LEU 39 1HD1 LEU 39 -4.706 13.154 2.582 363 2HD1 LEU 39 2HD1 LEU 39 -5.972 13.124 3.808 364 3HD1 LEU 39 3HD1 LEU 39 -6.095 14.232 2.442 365 1HD2 LEU 39 1HD2 LEU 39 -7.961 13.243 0.794 366 2HD2 LEU 39 2HD2 LEU 39 -8.309 13.206 2.523 367 3HD2 LEU 39 3HD2 LEU 39 -8.565 11.764 1.540 368 H LYS 40 HN LYS 40 -5.749 10.656 -2.596 369 HA LYS 40 HA LYS 40 -8.026 12.293 -3.441 370 1HB LYS 40 HB2 LYS 40 -5.453 11.504 -4.794 371 2HB LYS 40 HB1 LYS 40 -6.756 12.317 -5.648 372 1HG LYS 40 HG2 LYS 40 -4.959 13.825 -4.857 373 2HG LYS 40 HG1 LYS 40 -6.563 14.242 -4.257 374 1HD LYS 40 HD2 LYS 40 -5.850 14.088 -2.149 375 2HD LYS 40 HD1 LYS 40 -5.307 12.436 -2.424 376 1HE LYS 40 HE2 LYS 40 -3.213 13.064 -2.343 377 2HE LYS 40 HE1 LYS 40 -3.469 14.203 -3.660 378 1HZ LYS 40 HZ1 LYS 40 -4.180 14.865 -0.864 379 2HZ LYS 40 HZ2 LYS 40 -3.959 15.921 -2.167 380 3HZ LYS 40 HZ3 LYS 40 -2.627 15.140 -1.477 381 H GLU 41 HN GLU 41 -6.566 9.149 -3.972 382 HA GLU 41 HA GLU 41 -8.663 8.425 -5.861 383 1HB GLU 41 HB2 GLU 41 -7.336 6.589 -6.437 384 2HB GLU 41 HB1 GLU 41 -6.158 7.843 -6.060 385 1HG GLU 41 HG2 GLU 41 -5.205 6.230 -4.848 386 2HG GLU 41 HG1 GLU 41 -6.403 6.701 -3.645 387 H THR 42 HN THR 42 -8.339 8.521 -2.598 388 HA THR 42 HA THR 42 -10.389 6.457 -2.249 389 HB THR 42 HB THR 42 -7.959 6.903 -0.515 390 HG1 THR 42 HG1 THR 42 -7.388 4.897 -1.154 391 1HG2 THR 42 1HG2 THR 42 -10.408 5.264 0.007 392 2HG2 THR 42 2HG2 THR 42 -9.625 6.443 1.059 393 3HG2 THR 42 3HG2 THR 42 -8.848 4.892 0.741 394 H GLU 43 HN GLU 43 -9.803 9.627 -2.177 395 HA GLU 43 HA GLU 43 -10.393 10.789 0.176 396 1HB GLU 43 HB2 GLU 43 -11.874 12.413 -1.186 397 2HB GLU 43 HB1 GLU 43 -10.175 12.280 -1.601 398 1HG GLU 43 HG2 GLU 43 -11.122 10.452 -3.277 399 2HG GLU 43 HG1 GLU 43 -12.574 11.436 -3.111 400 H PHE 44 HN PHE 44 -12.987 9.786 -2.070 401 HA PHE 44 HA PHE 44 -14.867 9.831 0.152 402 1HB PHE 44 HB2 PHE 44 -15.214 10.792 -2.279 403 2HB PHE 44 HB1 PHE 44 -15.672 9.130 -2.638 404 HD1 PHE 44 HD1 PHE 44 -16.588 12.196 -0.897 405 HD2 PHE 44 HD2 PHE 44 -17.661 8.146 -1.642 406 HE1 PHE 44 HE1 PHE 44 -18.847 12.640 -0.030 407 HE2 PHE 44 HE2 PHE 44 -19.924 8.582 -0.778 408 HZ PHE 44 HZ PHE 44 -20.519 10.832 0.029 409 H LYS 45 HN LYS 45 -13.139 7.566 -1.840 410 HA LYS 45 HA LYS 45 -14.770 5.347 -1.753 411 1HB LYS 45 HB2 LYS 45 -11.773 5.269 -1.440 412 2HB LYS 45 HB1 LYS 45 -12.806 4.023 -2.126 413 1HG LYS 45 HG2 LYS 45 -12.165 6.719 -3.296 414 2HG LYS 45 HG1 LYS 45 -11.701 5.134 -3.915 415 1HD LYS 45 HD2 LYS 45 -13.932 4.617 -4.524 416 2HD LYS 45 HD1 LYS 45 -14.572 5.989 -3.618 417 1HE LYS 45 HE2 LYS 45 -13.526 7.535 -5.164 418 2HE LYS 45 HE1 LYS 45 -12.783 6.195 -6.036 419 1HZ LYS 45 HZ1 LYS 45 -14.658 5.792 -7.150 420 2HZ LYS 45 HZ2 LYS 45 -15.145 7.336 -6.663 421 3HZ LYS 45 HZ3 LYS 45 -15.644 5.978 -5.788 422 H LYS 46 HN LYS 46 -12.148 6.014 0.599 423 HA LYS 46 HA LYS 46 -12.855 3.866 2.277 424 1HB LYS 46 HB2 LYS 46 -11.301 4.788 3.882 425 2HB LYS 46 HB1 LYS 46 -10.620 4.877 2.267 426 1HG LYS 46 HG2 LYS 46 -11.131 7.238 2.146 427 2HG LYS 46 HG1 LYS 46 -11.923 7.169 3.721 428 1HD LYS 46 HD2 LYS 46 -9.938 6.960 4.863 429 2HD LYS 46 HD1 LYS 46 -9.097 6.251 3.484 430 1HE LYS 46 HE2 LYS 46 -10.054 9.013 3.119 431 2HE LYS 46 HE1 LYS 46 -8.771 8.801 4.309 432 1HZ LYS 46 HZ1 LYS 46 -7.457 8.960 2.517 433 2HZ LYS 46 HZ2 LYS 46 -8.680 8.536 1.428 434 3HZ LYS 46 HZ3 LYS 46 -7.850 7.332 2.277 435 H ILE 47 HN ILE 47 -13.613 7.350 2.586 436 HA ILE 47 HA ILE 47 -14.812 7.182 5.086 437 HB ILE 47 HB ILE 47 -16.062 9.259 4.450 438 1HG1 ILE 47 2HG1 ILE 47 -14.825 10.153 2.192 439 2HG1 ILE 47 1HG1 ILE 47 -15.049 8.452 1.801 440 1HG2 ILE 47 1HG2 ILE 47 -13.735 10.450 3.857 441 2HG2 ILE 47 2HG2 ILE 47 -13.136 8.881 4.397 442 3HG2 ILE 47 3HG2 ILE 47 -14.138 9.859 5.470 443 1HD1 ILE 47 1HD1 ILE 47 -17.035 9.168 1.047 444 2HD1 ILE 47 2HD1 ILE 47 -17.017 10.613 2.057 445 3HD1 ILE 47 3HD1 ILE 47 -17.499 9.063 2.744 446 H LYS 48 HN LYS 48 -16.467 7.124 1.902 447 HA LYS 48 HA LYS 48 -19.038 6.758 2.882 448 1HB LYS 48 HB2 LYS 48 -19.637 5.932 0.701 449 2HB LYS 48 HB1 LYS 48 -18.466 7.228 0.506 450 1HG LYS 48 HG2 LYS 48 -17.364 5.848 -0.838 451 2HG LYS 48 HG1 LYS 48 -16.896 4.969 0.617 452 1HD LYS 48 HD2 LYS 48 -18.373 3.279 0.238 453 2HD LYS 48 HD1 LYS 48 -19.546 4.338 -0.549 454 1HE LYS 48 HE2 LYS 48 -17.504 4.446 -2.319 455 2HE LYS 48 HE1 LYS 48 -17.302 2.811 -1.691 456 1HZ LYS 48 HZ1 LYS 48 -18.839 3.207 -3.702 457 2HZ LYS 48 HZ2 LYS 48 -19.959 3.743 -2.553 458 3HZ LYS 48 HZ3 LYS 48 -19.358 2.165 -2.473 459 H VAL 49 HN VAL 49 -16.441 4.459 2.409 460 HA VAL 49 HA VAL 49 -18.061 2.145 2.938 461 HB VAL 49 HB VAL 49 -15.052 2.425 2.933 462 1HG1 VAL 49 1HG1 VAL 49 -16.651 0.298 3.803 463 2HG1 VAL 49 2HG1 VAL 49 -14.919 0.269 3.470 464 3HG1 VAL 49 3HG1 VAL 49 -16.068 -0.172 2.206 465 1HG2 VAL 49 1HG2 VAL 49 -16.594 1.194 0.700 466 2HG2 VAL 49 2HG2 VAL 49 -15.024 1.998 0.679 467 3HG2 VAL 49 3HG2 VAL 49 -16.502 2.952 0.807 468 H LEU 50 HN LEU 50 -15.890 4.217 4.785 469 HA LEU 50 HA LEU 50 -15.912 2.553 7.117 470 1HB LEU 50 HB2 LEU 50 -15.078 5.423 6.703 471 2HB LEU 50 HB1 LEU 50 -14.874 4.551 8.211 472 HG LEU 50 HG LEU 50 -13.690 3.441 5.697 473 1HD1 LEU 50 1HD1 LEU 50 -11.662 4.695 6.045 474 2HD1 LEU 50 2HD1 LEU 50 -12.371 5.522 7.433 475 3HD1 LEU 50 3HD1 LEU 50 -13.008 5.812 5.814 476 1HD2 LEU 50 1HD2 LEU 50 -13.170 3.240 8.643 477 2HD2 LEU 50 2HD2 LEU 50 -11.951 2.767 7.459 478 3HD2 LEU 50 3HD2 LEU 50 -13.517 1.954 7.488 479 H GLY 51 HN GLY 51 -17.831 5.193 5.895 480 1HA GLY 51 HA2 GLY 51 -19.303 5.344 8.434 481 2HA GLY 51 HA1 GLY 51 -19.386 6.522 7.132 482 H SER 52 HN SER 52 -19.517 3.112 6.479 483 HA SER 52 HA SER 52 -22.026 3.371 5.150 484 1HB SER 52 HB2 SER 52 -20.066 1.181 5.626 485 2HB SER 52 HB1 SER 52 -21.718 0.716 5.219 486 HG SER 52 HG SER 52 -19.861 1.412 3.549 487 H GLY 53 HN GLY 53 -20.965 1.843 8.171 488 1HA GLY 53 HA2 GLY 53 -22.143 1.181 10.025 489 2HA GLY 53 HA1 GLY 53 -23.376 2.327 9.521 Start of MODEL 19 1 1H ARG 1 HT1 ARG 1 12.285 15.230 27.739 2 2H ARG 1 HT2 ARG 1 12.610 16.265 29.070 3 3H ARG 1 HT3 ARG 1 13.656 14.947 28.727 4 HA ARG 1 HA ARG 1 14.755 16.792 27.960 5 1HB ARG 1 HB2 ARG 1 13.269 15.644 25.590 6 2HB ARG 1 HB1 ARG 1 14.878 16.355 25.584 7 1HG ARG 1 HG2 ARG 1 15.704 14.527 26.966 8 2HG ARG 1 HG1 ARG 1 14.088 13.819 27.003 9 1HD ARG 1 HD2 ARG 1 14.138 13.490 24.608 10 2HD ARG 1 HD1 ARG 1 15.699 14.303 24.501 11 HE ARG 1 HE ARG 1 16.721 12.374 25.202 12 1HH1 ARG 1 1HH1 ARG 1 13.290 12.127 25.798 13 2HH1 ARG 1 2HH1 ARG 1 13.359 10.449 26.222 14 1HH2 ARG 1 1HH2 ARG 1 16.812 10.168 25.759 15 2HH2 ARG 1 2HH2 ARG 1 15.357 9.338 26.201 16 H ARG 2 HN ARG 2 14.755 18.906 27.405 17 HA ARG 2 HA ARG 2 12.397 20.086 26.166 18 1HB ARG 2 HB2 ARG 2 12.122 20.146 28.689 19 2HB ARG 2 HB1 ARG 2 13.496 21.242 28.725 20 1HG ARG 2 HG2 ARG 2 12.319 22.906 27.525 21 2HG ARG 2 HG1 ARG 2 11.023 21.784 27.109 22 1HD ARG 2 HD2 ARG 2 9.927 22.315 28.965 23 2HD ARG 2 HD1 ARG 2 11.317 21.855 29.948 24 HE ARG 2 HE ARG 2 11.795 24.069 30.226 25 1HH1 ARG 2 1HH1 ARG 2 9.657 23.734 27.489 26 2HH1 ARG 2 2HH1 ARG 2 9.443 25.441 27.288 27 1HH2 ARG 2 1HH2 ARG 2 11.517 26.315 29.963 28 2HH2 ARG 2 2HH2 ARG 2 10.499 26.906 28.692 29 H ARG 3 HN ARG 3 15.361 19.625 25.646 30 HA ARG 3 HA ARG 3 16.038 22.424 25.028 31 1HB ARG 3 HB2 ARG 3 17.791 20.148 25.907 32 2HB ARG 3 HB1 ARG 3 18.455 21.522 25.032 33 1HG ARG 3 HG2 ARG 3 17.375 22.971 26.833 34 2HG ARG 3 HG1 ARG 3 17.183 21.473 27.745 35 1HD ARG 3 HD2 ARG 3 19.860 21.770 26.660 36 2HD ARG 3 HD1 ARG 3 19.414 23.109 27.715 37 HE ARG 3 HE ARG 3 19.943 20.401 28.489 38 1HH1 ARG 3 1HH1 ARG 3 18.212 23.310 29.341 39 2HH1 ARG 3 2HH1 ARG 3 18.133 22.919 31.026 40 1HH2 ARG 3 1HH2 ARG 3 19.839 19.885 30.704 41 2HH2 ARG 3 2HH2 ARG 3 19.057 20.974 31.800 42 H HIS 4 HN HIS 4 15.413 19.326 23.771 43 HA HIS 4 HA HIS 4 15.418 18.479 21.665 44 1HB HIS 4 HB2 HIS 4 15.956 21.305 20.742 45 2HB HIS 4 HB1 HIS 4 15.242 19.998 19.805 46 HD1 HIS 4 HD1 HIS 4 13.918 22.835 20.467 47 HD2 HIS 4 HD2 HIS 4 13.052 19.201 22.284 48 HE1 HIS 4 HE1 HIS 4 11.596 23.086 21.398 49 HE2 HIS 4 HE2 HIS 4 11.059 20.845 22.418 50 H ILE 5 HN ILE 5 17.400 17.402 22.294 51 HA ILE 5 HA ILE 5 19.685 18.356 20.703 52 HB ILE 5 HB ILE 5 20.237 18.694 23.030 53 1HG1 ILE 5 2HG1 ILE 5 21.753 16.198 22.446 54 2HG1 ILE 5 1HG1 ILE 5 21.835 17.500 21.265 55 1HG2 ILE 5 1HG2 ILE 5 20.476 16.370 24.335 56 2HG2 ILE 5 2HG2 ILE 5 19.086 15.991 23.318 57 3HG2 ILE 5 3HG2 ILE 5 19.028 17.373 24.412 58 1HD1 ILE 5 1HD1 ILE 5 23.647 17.421 23.032 59 2HD1 ILE 5 2HD1 ILE 5 22.409 17.947 24.173 60 3HD1 ILE 5 3HD1 ILE 5 22.831 18.967 22.797 61 H VAL 6 HN VAL 6 20.854 16.840 19.617 62 HA VAL 6 HA VAL 6 21.285 14.912 18.486 63 HB VAL 6 HB VAL 6 19.916 13.478 20.762 64 1HG1 VAL 6 1HG1 VAL 6 20.804 11.547 19.974 65 2HG1 VAL 6 2HG1 VAL 6 22.231 12.344 19.311 66 3HG1 VAL 6 3HG1 VAL 6 20.699 12.414 18.442 67 1HG2 VAL 6 1HG2 VAL 6 21.522 14.257 22.092 68 2HG2 VAL 6 2HG2 VAL 6 22.362 15.017 20.741 69 3HG2 VAL 6 3HG2 VAL 6 22.672 13.325 21.132 70 H ARG 7 HN ARG 7 19.401 16.054 17.238 71 HA ARG 7 HA ARG 7 17.707 13.975 16.272 72 1HB ARG 7 HB2 ARG 7 15.553 15.153 16.731 73 2HB ARG 7 HB1 ARG 7 16.338 14.514 18.169 74 1HG ARG 7 HG2 ARG 7 17.321 16.873 18.430 75 2HG ARG 7 HG1 ARG 7 16.074 17.358 17.281 76 1HD ARG 7 HD2 ARG 7 15.610 15.956 19.911 77 2HD ARG 7 HD1 ARG 7 15.332 17.666 19.590 78 HE ARG 7 HE ARG 7 13.638 15.465 18.855 79 1HH1 ARG 7 1HH1 ARG 7 14.541 18.751 18.107 80 2HH1 ARG 7 2HH1 ARG 7 13.034 19.123 17.338 81 1HH2 ARG 7 1HH2 ARG 7 11.656 15.951 17.844 82 2HH2 ARG 7 2HH2 ARG 7 11.395 17.533 17.190 83 H LYS 8 HN LYS 8 18.075 17.512 16.445 84 HA LYS 8 HA LYS 8 16.944 18.215 14.036 85 1HB LYS 8 HB2 LYS 8 18.720 20.102 14.059 86 2HB LYS 8 HB1 LYS 8 17.545 20.018 15.364 87 1HG LYS 8 HG2 LYS 8 19.170 19.911 16.858 88 2HG LYS 8 HG1 LYS 8 19.823 18.466 16.088 89 1HD LYS 8 HD2 LYS 8 20.993 19.967 14.459 90 2HD LYS 8 HD1 LYS 8 20.467 21.338 15.438 91 1HE LYS 8 HE2 LYS 8 21.726 19.262 17.032 92 2HE LYS 8 HE1 LYS 8 22.792 19.869 15.766 93 1HZ LYS 8 HZ1 LYS 8 22.448 22.106 16.570 94 2HZ LYS 8 HZ2 LYS 8 23.002 21.127 17.833 95 3HZ LYS 8 HZ3 LYS 8 21.368 21.557 17.753 96 H ARG 9 HN ARG 9 20.208 16.988 14.619 97 HA ARG 9 HA ARG 9 21.060 17.335 11.911 98 1HB ARG 9 HB2 ARG 9 22.255 15.566 14.050 99 2HB ARG 9 HB1 ARG 9 23.046 16.110 12.577 100 1HG ARG 9 HG2 ARG 9 23.602 18.085 13.463 101 2HG ARG 9 HG1 ARG 9 22.030 18.287 14.237 102 1HD ARG 9 HD2 ARG 9 22.694 17.260 16.168 103 2HD ARG 9 HD1 ARG 9 23.874 16.241 15.346 104 HE ARG 9 HE ARG 9 24.330 18.815 16.501 105 1HH1 ARG 9 1HH1 ARG 9 25.369 16.634 13.983 106 2HH1 ARG 9 2HH1 ARG 9 26.968 17.295 13.898 107 1HH2 ARG 9 1HH2 ARG 9 26.433 19.685 16.392 108 2HH2 ARG 9 2HH2 ARG 9 27.572 19.026 15.266 109 H THR 10 HN THR 10 19.255 14.941 13.595 110 HA THR 10 HA THR 10 19.804 12.859 11.647 111 HB THR 10 HB THR 10 19.158 12.801 14.305 112 HG1 THR 10 HG1 THR 10 18.712 10.734 12.419 113 1HG2 THR 10 1HG2 THR 10 16.683 11.941 12.824 114 2HG2 THR 10 2HG2 THR 10 16.809 13.314 13.923 115 3HG2 THR 10 3HG2 THR 10 17.019 11.674 14.535 116 H LEU 11 HN LEU 11 17.057 14.826 12.725 117 HA LEU 11 HA LEU 11 15.204 13.819 10.851 118 1HB LEU 11 HB2 LEU 11 13.870 15.808 11.403 119 2HB LEU 11 HB1 LEU 11 14.461 14.983 12.832 120 HG LEU 11 HG LEU 11 16.369 16.731 12.790 121 1HD1 LEU 11 1HD1 LEU 11 15.329 18.933 11.855 122 2HD1 LEU 11 2HD1 LEU 11 14.438 17.833 10.803 123 3HD1 LEU 11 3HD1 LEU 11 16.202 17.838 10.783 124 1HD2 LEU 11 1HD2 LEU 11 13.516 17.240 13.557 125 2HD2 LEU 11 2HD2 LEU 11 14.783 18.422 13.887 126 3HD2 LEU 11 3HD2 LEU 11 14.881 16.806 14.585 127 H ARG 12 HN ARG 12 17.945 15.688 10.387 128 HA ARG 12 HA ARG 12 16.930 17.266 8.208 129 1HB ARG 12 HB2 ARG 12 18.956 17.692 9.896 130 2HB ARG 12 HB1 ARG 12 19.852 16.890 8.615 131 1HG ARG 12 HG2 ARG 12 19.208 18.549 7.023 132 2HG ARG 12 HG1 ARG 12 18.084 19.283 8.168 133 1HD ARG 12 HD2 ARG 12 19.706 20.434 9.204 134 2HD ARG 12 HD1 ARG 12 20.832 19.078 9.155 135 HE ARG 12 HE ARG 12 20.825 19.889 6.601 136 1HH1 ARG 12 1HH1 ARG 12 21.186 21.657 9.589 137 2HH1 ARG 12 2HH1 ARG 12 22.185 22.884 8.887 138 1HH2 ARG 12 1HH2 ARG 12 22.141 21.501 5.678 139 2HH2 ARG 12 2HH2 ARG 12 22.728 22.796 6.667 140 H ARG 13 HN ARG 13 18.042 14.093 8.612 141 HA ARG 13 HA ARG 13 19.132 13.791 5.953 142 1HB ARG 13 HB2 ARG 13 18.566 11.883 8.214 143 2HB ARG 13 HB1 ARG 13 19.054 11.309 6.625 144 1HG ARG 13 HG2 ARG 13 20.661 13.304 8.193 145 2HG ARG 13 HG1 ARG 13 20.884 11.560 8.341 146 1HD ARG 13 HD2 ARG 13 21.677 11.347 6.174 147 2HD ARG 13 HD1 ARG 13 20.928 12.852 5.646 148 HE ARG 13 HE ARG 13 23.511 12.533 6.864 149 1HH1 ARG 13 1HH1 ARG 13 20.878 14.748 6.282 150 2HH1 ARG 13 2HH1 ARG 13 21.865 16.161 6.446 151 1HH2 ARG 13 1HH2 ARG 13 24.811 14.390 7.079 152 2HH2 ARG 13 2HH2 ARG 13 24.098 15.958 6.898 153 H LEU 14 HN LEU 14 16.144 13.102 7.662 154 HA LEU 14 HA LEU 14 14.919 11.617 5.568 155 1HB LEU 14 HB2 LEU 14 14.003 12.898 8.097 156 2HB LEU 14 HB1 LEU 14 12.790 12.470 6.905 157 HG LEU 14 HG LEU 14 14.206 10.150 7.046 158 1HD1 LEU 14 1HD1 LEU 14 14.463 9.710 9.499 159 2HD1 LEU 14 2HD1 LEU 14 14.307 11.448 9.759 160 3HD1 LEU 14 3HD1 LEU 14 15.653 10.814 8.810 161 1HD2 LEU 14 1HD2 LEU 14 11.908 9.981 7.129 162 2HD2 LEU 14 2HD2 LEU 14 11.763 11.157 8.437 163 3HD2 LEU 14 3HD2 LEU 14 12.356 9.530 8.774 164 H LEU 15 HN LEU 15 14.459 14.972 6.697 165 HA LEU 15 HA LEU 15 12.665 15.774 4.732 166 1HB LEU 15 HB2 LEU 15 13.414 18.078 5.226 167 2HB LEU 15 HB1 LEU 15 13.037 17.143 6.660 168 HG LEU 15 HG LEU 15 15.558 16.699 6.825 169 1HD1 LEU 15 1HD1 LEU 15 16.773 17.417 5.104 170 2HD1 LEU 15 2HD1 LEU 15 16.510 19.048 5.721 171 3HD1 LEU 15 3HD1 LEU 15 15.448 18.396 4.475 172 1HD2 LEU 15 1HD2 LEU 15 15.797 19.266 7.580 173 2HD2 LEU 15 2HD2 LEU 15 14.916 18.056 8.512 174 3HD2 LEU 15 3HD2 LEU 15 14.042 19.155 7.444 175 H GLN 16 HN GLN 16 16.132 15.421 4.608 176 HA GLN 16 HA GLN 16 16.318 16.759 2.034 177 1HB GLN 16 HB2 GLN 16 18.257 15.685 4.020 178 2HB GLN 16 HB1 GLN 16 18.774 15.773 2.343 179 1HG GLN 16 HG2 GLN 16 17.492 18.210 3.319 180 2HG GLN 16 HG1 GLN 16 18.978 17.783 4.166 181 1HE2 GLN 16 1HE2 GLN 16 20.080 19.544 3.316 182 2HE2 GLN 16 2HE2 GLN 16 20.587 19.605 1.666 183 H GLU 17 HN GLU 17 15.779 13.613 3.236 184 HA GLU 17 HA GLU 17 16.983 12.077 1.195 185 1HB GLU 17 HB2 GLU 17 15.519 11.575 3.531 186 2HB GLU 17 HB1 GLU 17 14.568 10.863 2.235 187 1HG GLU 17 HG2 GLU 17 17.502 10.327 2.559 188 2HG GLU 17 HG1 GLU 17 16.265 9.371 3.373 189 H ARG 18 HN ARG 18 14.012 13.868 1.367 190 HA ARG 18 HA ARG 18 12.538 12.621 -0.651 191 1HB ARG 18 HB2 ARG 18 12.567 15.585 -0.075 192 2HB ARG 18 HB1 ARG 18 11.256 14.651 -0.780 193 1HG ARG 18 HG2 ARG 18 11.124 13.385 1.380 194 2HG ARG 18 HG1 ARG 18 12.262 14.556 2.050 195 1HD ARG 18 HD2 ARG 18 10.714 16.364 1.587 196 2HD ARG 18 HD1 ARG 18 9.593 15.239 0.823 197 HE ARG 18 HE ARG 18 10.228 14.566 3.543 198 1HH1 ARG 18 1HH1 ARG 18 8.147 16.458 1.477 199 2HH1 ARG 18 2HH1 ARG 18 6.874 16.565 2.646 200 1HH2 ARG 18 1HH2 ARG 18 8.555 14.706 5.083 201 2HH2 ARG 18 2HH2 ARG 18 7.105 15.570 4.693 202 H GLU 19 HN GLU 19 15.174 14.919 -0.809 203 HA GLU 19 HA GLU 19 14.994 14.894 -3.748 204 1HB GLU 19 HB2 GLU 19 16.280 16.963 -3.730 205 2HB GLU 19 HB1 GLU 19 14.841 17.131 -2.734 206 1HG GLU 19 HG2 GLU 19 16.561 16.370 -0.846 207 2HG GLU 19 HG1 GLU 19 17.693 17.124 -1.967 208 H LEU 20 HN LEU 20 16.159 12.788 -2.104 209 HA LEU 20 HA LEU 20 18.793 12.743 -3.354 210 1HB LEU 20 HB2 LEU 20 19.057 13.614 -1.021 211 2HB LEU 20 HB1 LEU 20 18.411 12.095 -0.432 212 HG LEU 20 HG LEU 20 20.507 11.358 -2.127 213 1HD1 LEU 20 1HD1 LEU 20 21.797 13.216 -0.244 214 2HD1 LEU 20 2HD1 LEU 20 21.002 13.961 -1.631 215 3HD1 LEU 20 3HD1 LEU 20 22.259 12.749 -1.881 216 1HD2 LEU 20 1HD2 LEU 20 19.621 10.647 0.283 217 2HD2 LEU 20 2HD2 LEU 20 21.018 11.604 0.780 218 3HD2 LEU 20 3HD2 LEU 20 21.232 10.226 -0.299 219 H VAL 21 HN VAL 21 16.638 11.373 -4.260 220 HA VAL 21 HA VAL 21 17.534 8.663 -4.051 221 HB VAL 21 HB VAL 21 16.137 8.762 -2.038 222 1HG1 VAL 21 1HG1 VAL 21 13.803 9.215 -2.092 223 2HG1 VAL 21 2HG1 VAL 21 13.799 9.305 -3.853 224 3HG1 VAL 21 3HG1 VAL 21 14.613 10.552 -2.908 225 1HG2 VAL 21 1HG2 VAL 21 15.629 6.995 -4.312 226 2HG2 VAL 21 2HG2 VAL 21 14.326 7.025 -3.123 227 3HG2 VAL 21 3HG2 VAL 21 15.965 6.608 -2.625 228 H GLU 22 HN GLU 22 14.773 10.702 -5.034 229 HA GLU 22 HA GLU 22 15.094 10.238 -7.768 230 1HB GLU 22 HB2 GLU 22 13.969 8.020 -6.470 231 2HB GLU 22 HB1 GLU 22 12.621 8.818 -7.266 232 1HG GLU 22 HG2 GLU 22 15.171 7.904 -8.578 233 2HG GLU 22 HG1 GLU 22 13.597 7.117 -8.690 234 HA PRO 23 HA PRO 23 11.912 13.384 -6.409 235 1HB PRO 23 HB2 PRO 23 13.357 15.626 -6.487 236 2HB PRO 23 HB1 PRO 23 13.420 14.549 -5.087 237 1HG PRO 23 HG2 PRO 23 15.361 14.842 -7.342 238 2HG PRO 23 HG1 PRO 23 15.679 14.629 -5.612 239 1HD PRO 23 HD2 PRO 23 15.761 12.602 -7.491 240 2HD PRO 23 HD1 PRO 23 15.524 12.359 -5.751 241 H LEU 24 HN LEU 24 13.520 12.517 -9.128 242 HA LEU 24 HA LEU 24 12.933 14.775 -10.805 243 1HB LEU 24 HB2 LEU 24 13.890 11.975 -11.344 244 2HB LEU 24 HB1 LEU 24 13.503 13.087 -12.644 245 HG LEU 24 HG LEU 24 15.873 13.128 -12.291 246 1HD1 LEU 24 1HD1 LEU 24 16.240 15.448 -11.990 247 2HD1 LEU 24 2HD1 LEU 24 14.789 15.618 -11.000 248 3HD1 LEU 24 3HD1 LEU 24 14.645 15.280 -12.725 249 1HD2 LEU 24 1HD2 LEU 24 15.416 12.453 -9.749 250 2HD2 LEU 24 2HD2 LEU 24 15.693 14.182 -9.533 251 3HD2 LEU 24 3HD2 LEU 24 16.931 13.177 -10.288 252 H THR 25 HN THR 25 11.336 11.803 -9.910 253 HA THR 25 HA THR 25 9.061 12.596 -11.603 254 HB THR 25 HB THR 25 9.821 10.718 -12.744 255 HG1 THR 25 HG1 THR 25 8.355 9.042 -12.181 256 1HG2 THR 25 1HG2 THR 25 11.514 10.064 -11.002 257 2HG2 THR 25 2HG2 THR 25 10.720 8.736 -11.848 258 3HG2 THR 25 3HG2 THR 25 10.221 9.161 -10.210 259 HA PRO 26 HA PRO 26 6.779 12.145 -7.830 260 1HB PRO 26 HB2 PRO 26 4.331 12.582 -8.757 261 2HB PRO 26 HB1 PRO 26 5.566 13.842 -8.860 262 1HG PRO 26 HG2 PRO 26 4.531 12.026 -10.989 263 2HG PRO 26 HG1 PRO 26 4.998 13.732 -11.098 264 1HD PRO 26 HD2 PRO 26 6.588 11.537 -11.817 265 2HD PRO 26 HD1 PRO 26 7.155 13.200 -11.568 266 H SER 27 HN SER 27 7.501 9.607 -9.064 267 HA SER 27 HA SER 27 5.508 7.955 -7.861 268 1HB SER 27 HB2 SER 27 5.869 7.495 -10.818 269 2HB SER 27 HB1 SER 27 4.644 6.820 -9.744 270 HG SER 27 HG SER 27 3.538 8.667 -9.811 271 H GLY 28 HN GLY 28 8.101 8.160 -7.189 272 1HA GLY 28 HA2 GLY 28 9.454 5.870 -8.457 273 2HA GLY 28 HA1 GLY 28 10.254 7.135 -7.537 274 H GLU 29 HN GLU 29 9.851 7.204 -5.210 275 HA GLU 29 HA GLU 29 8.695 4.896 -3.941 276 1HB GLU 29 HB2 GLU 29 11.240 4.498 -4.742 277 2HB GLU 29 HB1 GLU 29 11.536 5.239 -3.175 278 1HG GLU 29 HG2 GLU 29 11.314 3.204 -2.325 279 2HG GLU 29 HG1 GLU 29 9.586 3.379 -2.628 280 H ALA 30 HN ALA 30 8.281 7.730 -3.860 281 HA ALA 30 HA ALA 30 9.226 8.427 -1.167 282 1HB ALA 30 HB1 ALA 30 7.809 10.463 -2.759 283 2HB ALA 30 HB2 ALA 30 9.361 9.924 -3.399 284 3HB ALA 30 HB3 ALA 30 9.264 10.600 -1.773 285 HA PRO 31 HA PRO 31 5.239 7.497 0.565 286 1HB PRO 31 HB2 PRO 31 5.878 9.792 2.354 287 2HB PRO 31 HB1 PRO 31 5.389 8.145 2.766 288 1HG PRO 31 HG2 PRO 31 7.918 8.921 3.055 289 2HG PRO 31 HG1 PRO 31 7.526 7.293 2.469 290 1HD PRO 31 HD2 PRO 31 8.494 9.674 0.951 291 2HD PRO 31 HD1 PRO 31 8.871 7.955 0.718 292 H ASN 32 HN ASN 32 6.175 10.860 -0.029 293 HA ASN 32 HA ASN 32 3.839 12.217 0.191 294 1HB ASN 32 HB2 ASN 32 5.916 12.500 -1.986 295 2HB ASN 32 HB1 ASN 32 4.652 13.684 -1.664 296 1HD2 ASN 32 1HD2 ASN 32 4.546 14.099 0.875 297 2HD2 ASN 32 2HD2 ASN 32 6.067 14.559 1.553 298 H GLN 33 HN GLN 33 4.854 10.459 -2.741 299 HA GLN 33 HA GLN 33 2.558 10.993 -4.255 300 1HB GLN 33 HB2 GLN 33 4.075 8.414 -4.477 301 2HB GLN 33 HB1 GLN 33 3.255 9.321 -5.740 302 1HG GLN 33 HG2 GLN 33 5.108 10.418 -6.230 303 2HG GLN 33 HG1 GLN 33 5.286 10.954 -4.562 304 1HE2 GLN 33 1HE2 GLN 33 7.571 10.647 -5.652 305 2HE2 GLN 33 2HE2 GLN 33 8.343 9.154 -5.255 306 H ALA 34 HN ALA 34 3.080 8.777 -1.651 307 HA ALA 34 HA ALA 34 0.928 7.011 -2.171 308 1HB ALA 34 HB1 ALA 34 2.944 7.024 -0.365 309 2HB ALA 34 HB2 ALA 34 1.499 6.023 -0.215 310 3HB ALA 34 HB3 ALA 34 1.604 7.558 0.649 311 H LEU 35 HN LEU 35 1.269 9.741 0.080 312 HA LEU 35 HA LEU 35 -1.471 9.939 0.725 313 1HB LEU 35 HB2 LEU 35 0.502 12.210 0.762 314 2HB LEU 35 HB1 LEU 35 -0.927 12.013 1.758 315 HG LEU 35 HG LEU 35 1.047 9.860 2.066 316 1HD1 LEU 35 1HD1 LEU 35 2.626 11.644 1.758 317 2HD1 LEU 35 2HD1 LEU 35 2.541 11.247 3.475 318 3HD1 LEU 35 3HD1 LEU 35 1.726 12.686 2.861 319 1HD2 LEU 35 1HD2 LEU 35 -0.732 11.540 3.772 320 2HD2 LEU 35 2HD2 LEU 35 0.608 10.665 4.514 321 3HD2 LEU 35 3HD2 LEU 35 -0.639 9.785 3.628 322 H LEU 36 HN LEU 36 0.521 11.198 -1.832 323 HA LEU 36 HA LEU 36 -1.097 13.233 -2.798 324 1HB LEU 36 HB2 LEU 36 1.277 12.000 -3.572 325 2HB LEU 36 HB1 LEU 36 0.214 11.836 -4.956 326 HG LEU 36 HG LEU 36 0.427 14.514 -3.676 327 1HD1 LEU 36 1HD1 LEU 36 2.685 14.348 -3.795 328 2HD1 LEU 36 2HD1 LEU 36 2.370 14.759 -5.482 329 3HD1 LEU 36 3HD1 LEU 36 2.639 13.078 -5.019 330 1HD2 LEU 36 1HD2 LEU 36 0.345 15.128 -6.144 331 2HD2 LEU 36 2HD2 LEU 36 -1.101 14.391 -5.456 332 3HD2 LEU 36 3HD2 LEU 36 -0.004 13.426 -6.442 333 H ARG 37 HN ARG 37 -1.125 9.758 -3.711 334 HA ARG 37 HA ARG 37 -3.571 10.320 -5.234 335 1HB ARG 37 HB2 ARG 37 -3.176 8.183 -6.347 336 2HB ARG 37 HB1 ARG 37 -1.779 9.241 -6.481 337 1HG ARG 37 HG2 ARG 37 -0.493 7.657 -5.634 338 2HG ARG 37 HG1 ARG 37 -1.445 7.666 -4.149 339 1HD ARG 37 HD2 ARG 37 -1.536 5.449 -4.915 340 2HD ARG 37 HD1 ARG 37 -3.083 6.156 -5.382 341 HE ARG 37 HE ARG 37 -1.207 6.416 -7.482 342 1HH1 ARG 37 1HH1 ARG 37 -3.212 4.048 -5.884 343 2HH1 ARG 37 2HH1 ARG 37 -3.352 3.039 -7.283 344 1HH2 ARG 37 1HH2 ARG 37 -1.391 5.088 -9.325 345 2HH2 ARG 37 2HH2 ARG 37 -2.318 3.628 -9.237 346 H ILE 38 HN ILE 38 -2.654 8.875 -2.238 347 HA ILE 38 HA ILE 38 -4.788 6.945 -2.256 348 HB ILE 38 HB ILE 38 -2.879 6.524 -0.816 349 1HG1 ILE 38 2HG1 ILE 38 -4.620 6.822 1.410 350 2HG1 ILE 38 1HG1 ILE 38 -5.625 6.503 0.001 351 1HG2 ILE 38 1HG2 ILE 38 -3.666 8.619 1.123 352 2HG2 ILE 38 2HG2 ILE 38 -2.766 9.125 -0.305 353 3HG2 ILE 38 3HG2 ILE 38 -2.082 7.922 0.786 354 1HD1 ILE 38 1HD1 ILE 38 -4.570 4.441 -0.409 355 2HD1 ILE 38 2HD1 ILE 38 -4.866 4.497 1.329 356 3HD1 ILE 38 3HD1 ILE 38 -3.249 4.809 0.699 357 H LEU 39 HN LEU 39 -4.319 10.064 -0.609 358 HA LEU 39 HA LEU 39 -6.929 10.121 0.504 359 1HB LEU 39 HB2 LEU 39 -4.700 12.058 0.180 360 2HB LEU 39 HB1 LEU 39 -6.298 12.726 0.447 361 HG LEU 39 HG LEU 39 -5.215 12.576 2.565 362 1HD1 LEU 39 1HD1 LEU 39 -6.971 10.154 2.591 363 2HD1 LEU 39 2HD1 LEU 39 -7.646 11.750 2.259 364 3HD1 LEU 39 3HD1 LEU 39 -6.821 11.441 3.787 365 1HD2 LEU 39 1HD2 LEU 39 -4.885 9.645 2.530 366 2HD2 LEU 39 2HD2 LEU 39 -3.886 10.894 3.272 367 3HD2 LEU 39 3HD2 LEU 39 -3.753 10.570 1.543 368 H LYS 40 HN LYS 40 -5.724 10.624 -2.621 369 HA LYS 40 HA LYS 40 -7.985 12.281 -3.441 370 1HB LYS 40 HB2 LYS 40 -5.370 11.511 -4.692 371 2HB LYS 40 HB1 LYS 40 -6.671 12.149 -5.683 372 1HG LYS 40 HG2 LYS 40 -4.871 13.751 -4.787 373 2HG LYS 40 HG1 LYS 40 -6.560 14.242 -4.720 374 1HD LYS 40 HD2 LYS 40 -6.036 14.773 -2.585 375 2HD LYS 40 HD1 LYS 40 -6.301 13.060 -2.297 376 1HE LYS 40 HE2 LYS 40 -4.203 13.909 -1.310 377 2HE LYS 40 HE1 LYS 40 -3.956 12.604 -2.469 378 1HZ LYS 40 HZ1 LYS 40 -2.562 14.847 -2.516 379 2HZ LYS 40 HZ2 LYS 40 -3.845 15.325 -3.510 380 3HZ LYS 40 HZ3 LYS 40 -2.917 13.971 -3.920 381 H GLU 41 HN GLU 41 -6.572 9.097 -4.000 382 HA GLU 41 HA GLU 41 -8.751 8.421 -5.831 383 1HB GLU 41 HB2 GLU 41 -7.527 6.508 -6.433 384 2HB GLU 41 HB1 GLU 41 -6.301 7.746 -6.195 385 1HG GLU 41 HG2 GLU 41 -5.272 6.225 -4.947 386 2HG GLU 41 HG1 GLU 41 -6.461 6.639 -3.714 387 H THR 42 HN THR 42 -8.341 8.531 -2.601 388 HA THR 42 HA THR 42 -10.391 6.485 -2.177 389 HB THR 42 HB THR 42 -7.926 6.913 -0.485 390 HG1 THR 42 HG1 THR 42 -7.297 5.578 -2.027 391 1HG2 THR 42 1HG2 THR 42 -9.003 4.630 0.447 392 2HG2 THR 42 2HG2 THR 42 -10.459 5.566 0.114 393 3HG2 THR 42 3HG2 THR 42 -9.226 6.210 1.196 394 H GLU 43 HN GLU 43 -9.810 9.632 -2.164 395 HA GLU 43 HA GLU 43 -10.292 10.813 0.218 396 1HB GLU 43 HB2 GLU 43 -11.771 12.464 -1.105 397 2HB GLU 43 HB1 GLU 43 -10.093 12.290 -1.579 398 1HG GLU 43 HG2 GLU 43 -11.146 10.475 -3.210 399 2HG GLU 43 HG1 GLU 43 -12.562 11.503 -3.003 400 H PHE 44 HN PHE 44 -12.955 9.840 -1.961 401 HA PHE 44 HA PHE 44 -14.782 9.934 0.301 402 1HB PHE 44 HB2 PHE 44 -15.079 10.741 -2.280 403 2HB PHE 44 HB1 PHE 44 -15.826 9.148 -2.341 404 HD1 PHE 44 HD1 PHE 44 -17.454 8.683 -0.265 405 HD2 PHE 44 HD2 PHE 44 -16.442 12.515 -1.814 406 HE1 PHE 44 HE1 PHE 44 -19.518 9.612 0.700 407 HE2 PHE 44 HE2 PHE 44 -18.503 13.453 -0.850 408 HZ PHE 44 HZ PHE 44 -20.044 12.001 0.409 409 H LYS 45 HN LYS 45 -13.089 7.632 -1.645 410 HA LYS 45 HA LYS 45 -14.778 5.426 -1.474 411 1HB LYS 45 HB2 LYS 45 -11.770 5.294 -1.315 412 2HB LYS 45 HB1 LYS 45 -12.865 4.076 -1.952 413 1HG LYS 45 HG2 LYS 45 -12.228 6.760 -3.155 414 2HG LYS 45 HG1 LYS 45 -11.797 5.169 -3.783 415 1HD LYS 45 HD2 LYS 45 -14.045 4.665 -4.316 416 2HD LYS 45 HD1 LYS 45 -14.650 6.030 -3.377 417 1HE LYS 45 HE2 LYS 45 -13.743 7.593 -4.951 418 2HE LYS 45 HE1 LYS 45 -12.913 6.306 -5.823 419 1HZ LYS 45 HZ1 LYS 45 -15.262 7.279 -6.562 420 2HZ LYS 45 HZ2 LYS 45 -15.795 6.029 -5.554 421 3HZ LYS 45 HZ3 LYS 45 -14.792 5.683 -6.871 422 H LYS 46 HN LYS 46 -12.125 6.306 0.751 423 HA LYS 46 HA LYS 46 -12.622 4.172 2.535 424 1HB LYS 46 HB2 LYS 46 -11.110 5.342 4.075 425 2HB LYS 46 HB1 LYS 46 -10.452 5.233 2.451 426 1HG LYS 46 HG2 LYS 46 -10.354 7.450 2.224 427 2HG LYS 46 HG1 LYS 46 -11.958 7.684 2.917 428 1HD LYS 46 HD2 LYS 46 -10.563 8.738 4.449 429 2HD LYS 46 HD1 LYS 46 -10.814 7.145 5.168 430 1HE LYS 46 HE2 LYS 46 -8.681 6.392 4.232 431 2HE LYS 46 HE1 LYS 46 -8.434 7.983 3.514 432 1HZ LYS 46 HZ1 LYS 46 -7.899 8.896 5.497 433 2HZ LYS 46 HZ2 LYS 46 -7.434 7.310 5.856 434 3HZ LYS 46 HZ3 LYS 46 -8.931 7.892 6.385 435 H ILE 47 HN ILE 47 -13.817 7.507 2.498 436 HA ILE 47 HA ILE 47 -14.877 7.360 5.133 437 HB ILE 47 HB ILE 47 -15.997 9.441 4.705 438 1HG1 ILE 47 2HG1 ILE 47 -15.321 8.930 1.805 439 2HG1 ILE 47 1HG1 ILE 47 -16.924 9.078 2.512 440 1HG2 ILE 47 1HG2 ILE 47 -14.100 10.631 4.747 441 2HG2 ILE 47 2HG2 ILE 47 -13.563 10.021 3.182 442 3HG2 ILE 47 3HG2 ILE 47 -13.303 9.062 4.638 443 1HD1 ILE 47 1HD1 ILE 47 -16.511 11.423 2.991 444 2HD1 ILE 47 2HD1 ILE 47 -16.300 11.075 1.275 445 3HD1 ILE 47 3HD1 ILE 47 -14.890 11.284 2.314 446 H LYS 48 HN LYS 48 -16.515 7.213 1.944 447 HA LYS 48 HA LYS 48 -19.084 6.802 2.873 448 1HB LYS 48 HB2 LYS 48 -19.580 5.801 0.712 449 2HB LYS 48 HB1 LYS 48 -18.527 7.193 0.509 450 1HG LYS 48 HG2 LYS 48 -17.311 5.856 -0.790 451 2HG LYS 48 HG1 LYS 48 -16.731 5.145 0.717 452 1HD LYS 48 HD2 LYS 48 -17.474 3.403 -0.805 453 2HD LYS 48 HD1 LYS 48 -18.535 3.475 0.603 454 1HE LYS 48 HE2 LYS 48 -19.701 5.222 -1.198 455 2HE LYS 48 HE1 LYS 48 -19.137 3.892 -2.208 456 1HZ LYS 48 HZ1 LYS 48 -20.394 2.353 -0.951 457 2HZ LYS 48 HZ2 LYS 48 -21.432 3.641 -1.298 458 3HZ LYS 48 HZ3 LYS 48 -20.755 3.495 0.245 459 H VAL 49 HN VAL 49 -16.458 4.504 2.535 460 HA VAL 49 HA VAL 49 -18.058 2.195 3.095 461 HB VAL 49 HB VAL 49 -15.056 2.492 3.249 462 1HG1 VAL 49 1HG1 VAL 49 -14.914 0.292 3.648 463 2HG1 VAL 49 2HG1 VAL 49 -16.191 -0.094 2.494 464 3HG1 VAL 49 3HG1 VAL 49 -16.605 0.409 4.132 465 1HG2 VAL 49 1HG2 VAL 49 -16.340 3.031 1.034 466 2HG2 VAL 49 2HG2 VAL 49 -16.481 1.276 0.925 467 3HG2 VAL 49 3HG2 VAL 49 -14.889 2.030 1.001 468 H LEU 50 HN LEU 50 -16.071 4.398 4.985 469 HA LEU 50 HA LEU 50 -16.218 2.770 7.364 470 1HB LEU 50 HB2 LEU 50 -15.185 5.558 6.865 471 2HB LEU 50 HB1 LEU 50 -15.146 4.780 8.436 472 HG LEU 50 HG LEU 50 -13.831 3.541 6.032 473 1HD1 LEU 50 1HD1 LEU 50 -13.056 5.940 6.615 474 2HD1 LEU 50 2HD1 LEU 50 -11.848 4.670 6.413 475 3HD1 LEU 50 3HD1 LEU 50 -12.329 5.180 8.032 476 1HD2 LEU 50 1HD2 LEU 50 -12.377 2.791 8.137 477 2HD2 LEU 50 2HD2 LEU 50 -13.812 1.911 7.610 478 3HD2 LEU 50 3HD2 LEU 50 -13.919 3.052 8.951 479 H GLY 51 HN GLY 51 -17.939 5.471 5.981 480 1HA GLY 51 HA2 GLY 51 -19.453 5.860 8.461 481 2HA GLY 51 HA1 GLY 51 -19.491 6.911 7.052 482 H SER 52 HN SER 52 -19.756 3.449 6.771 483 HA SER 52 HA SER 52 -22.083 3.530 5.231 484 1HB SER 52 HB2 SER 52 -20.270 1.606 5.802 485 2HB SER 52 HB1 SER 52 -21.618 1.063 6.801 486 HG SER 52 HG SER 52 -21.331 1.019 4.088 487 H GLY 53 HN GLY 53 -21.622 3.358 8.690 488 1HA GLY 53 HA2 GLY 53 -24.552 3.179 9.035 489 2HA GLY 53 HA1 GLY 53 -23.383 2.615 10.220 Start of MODEL 20 1 1H ARG 1 HT1 ARG 1 -19.886 17.730 10.009 2 2H ARG 1 HT2 ARG 1 -20.157 16.056 10.272 3 3H ARG 1 HT3 ARG 1 -21.486 17.135 10.166 4 HA ARG 1 HA ARG 1 -21.203 15.841 8.176 5 1HB ARG 1 HB2 ARG 1 -20.655 18.811 8.000 6 2HB ARG 1 HB1 ARG 1 -21.174 17.822 6.642 7 1HG ARG 1 HG2 ARG 1 -22.718 18.353 9.170 8 2HG ARG 1 HG1 ARG 1 -23.059 19.000 7.564 9 1HD ARG 1 HD2 ARG 1 -23.193 16.508 6.864 10 2HD ARG 1 HD1 ARG 1 -23.387 16.206 8.590 11 HE ARG 1 HE ARG 1 -25.175 18.206 7.557 12 1HH1 ARG 1 1HH1 ARG 1 -24.688 14.786 8.062 13 2HH1 ARG 1 2HH1 ARG 1 -26.380 14.416 8.050 14 1HH2 ARG 1 1HH2 ARG 1 -27.402 17.720 7.542 15 2HH2 ARG 1 2HH2 ARG 1 -27.920 16.081 7.755 16 H ARG 2 HN ARG 2 -19.942 16.407 5.935 17 HA ARG 2 HA ARG 2 -17.093 16.673 6.302 18 1HB ARG 2 HB2 ARG 2 -18.291 14.078 6.335 19 2HB ARG 2 HB1 ARG 2 -17.359 14.239 4.853 20 1HG ARG 2 HG2 ARG 2 -15.363 14.680 6.047 21 2HG ARG 2 HG1 ARG 2 -16.239 14.882 7.565 22 1HD ARG 2 HD2 ARG 2 -16.982 12.464 7.268 23 2HD ARG 2 HD1 ARG 2 -15.750 12.356 6.012 24 HE ARG 2 HE ARG 2 -14.636 13.392 8.396 25 1HH1 ARG 2 1HH1 ARG 2 -15.795 10.416 6.988 26 2HH1 ARG 2 2HH1 ARG 2 -14.768 9.412 7.956 27 1HH2 ARG 2 1HH2 ARG 2 -13.286 12.073 9.671 28 2HH2 ARG 2 2HH2 ARG 2 -13.345 10.353 9.480 29 H ARG 3 HN ARG 3 -16.435 17.864 4.651 30 HA ARG 3 HA ARG 3 -17.090 17.201 1.942 31 1HB ARG 3 HB2 ARG 3 -19.074 18.565 2.846 32 2HB ARG 3 HB1 ARG 3 -17.971 19.934 2.843 33 1HG ARG 3 HG2 ARG 3 -17.677 19.774 0.473 34 2HG ARG 3 HG1 ARG 3 -18.591 18.266 0.417 35 1HD ARG 3 HD2 ARG 3 -19.770 20.850 1.407 36 2HD ARG 3 HD1 ARG 3 -19.824 20.367 -0.289 37 HE ARG 3 HE ARG 3 -20.838 18.371 1.512 38 1HH1 ARG 3 1HH1 ARG 3 -21.630 21.226 -0.332 39 2HH1 ARG 3 2HH1 ARG 3 -23.319 20.856 -0.417 40 1HH2 ARG 3 1HH2 ARG 3 -23.060 17.882 1.401 41 2HH2 ARG 3 2HH2 ARG 3 -24.131 18.957 0.568 42 H HIS 4 HN HIS 4 -14.736 17.020 2.177 43 HA HIS 4 HA HIS 4 -13.307 19.569 2.298 44 1HB HIS 4 HB2 HIS 4 -12.405 16.693 2.398 45 2HB HIS 4 HB1 HIS 4 -11.269 18.024 2.209 46 HD1 HIS 4 HD1 HIS 4 -11.898 15.943 4.727 47 HD2 HIS 4 HD2 HIS 4 -12.501 20.047 4.478 48 HE1 HIS 4 HE1 HIS 4 -11.931 16.764 7.104 49 HE2 HIS 4 HE2 HIS 4 -12.210 19.261 6.925 50 H ILE 5 HN ILE 5 -14.324 20.146 0.197 51 HA ILE 5 HA ILE 5 -13.046 18.838 -2.101 52 HB ILE 5 HB ILE 5 -15.276 20.870 -2.165 53 1HG1 ILE 5 2HG1 ILE 5 -15.599 17.890 -2.485 54 2HG1 ILE 5 1HG1 ILE 5 -15.776 18.682 -0.922 55 1HG2 ILE 5 1HG2 ILE 5 -13.786 19.323 -4.180 56 2HG2 ILE 5 2HG2 ILE 5 -14.595 20.885 -4.313 57 3HG2 ILE 5 3HG2 ILE 5 -15.533 19.395 -4.402 58 1HD1 ILE 5 1HD1 ILE 5 -17.891 18.235 -2.227 59 2HD1 ILE 5 2HD1 ILE 5 -17.364 19.508 -3.327 60 3HD1 ILE 5 3HD1 ILE 5 -17.666 19.879 -1.630 61 H VAL 6 HN VAL 6 -13.822 22.118 -0.931 62 HA VAL 6 HA VAL 6 -11.604 23.160 -2.546 63 HB VAL 6 HB VAL 6 -13.746 24.270 -2.898 64 1HG1 VAL 6 1HG1 VAL 6 -15.165 24.457 -1.200 65 2HG1 VAL 6 2HG1 VAL 6 -14.159 25.762 -0.573 66 3HG1 VAL 6 3HG1 VAL 6 -13.896 24.106 -0.027 67 1HG2 VAL 6 1HG2 VAL 6 -12.210 26.292 -1.344 68 2HG2 VAL 6 2HG2 VAL 6 -12.912 26.402 -2.959 69 3HG2 VAL 6 3HG2 VAL 6 -11.421 25.495 -2.705 70 H ARG 7 HN ARG 7 -10.094 22.211 -0.967 71 HA ARG 7 HA ARG 7 -9.021 24.131 0.747 72 1HB ARG 7 HB2 ARG 7 -9.446 23.111 2.949 73 2HB ARG 7 HB1 ARG 7 -10.921 23.699 2.196 74 1HG ARG 7 HG2 ARG 7 -11.760 21.707 2.745 75 2HG ARG 7 HG1 ARG 7 -10.863 21.110 1.347 76 1HD ARG 7 HD2 ARG 7 -10.459 19.755 3.358 77 2HD ARG 7 HD1 ARG 7 -8.987 20.524 2.766 78 HE ARG 7 HE ARG 7 -10.014 22.241 4.653 79 1HH1 ARG 7 1HH1 ARG 7 -8.930 18.924 4.593 80 2HH1 ARG 7 2HH1 ARG 7 -8.415 18.932 6.247 81 1HH2 ARG 7 1HH2 ARG 7 -9.335 22.254 6.827 82 2HH2 ARG 7 2HH2 ARG 7 -8.645 20.822 7.515 83 H LYS 8 HN LYS 8 -9.398 20.677 0.116 84 HA LYS 8 HA LYS 8 -7.017 19.781 1.250 85 1HB LYS 8 HB2 LYS 8 -7.216 18.050 -0.792 86 2HB LYS 8 HB1 LYS 8 -8.200 17.946 0.656 87 1HG LYS 8 HG2 LYS 8 -10.104 18.551 -0.426 88 2HG LYS 8 HG1 LYS 8 -9.257 19.557 -1.601 89 1HD LYS 8 HD2 LYS 8 -8.750 16.637 -1.679 90 2HD LYS 8 HD1 LYS 8 -10.322 17.207 -2.242 91 1HE LYS 8 HE2 LYS 8 -9.286 17.509 -4.206 92 2HE LYS 8 HE1 LYS 8 -8.628 18.962 -3.457 93 1HZ LYS 8 HZ1 LYS 8 -6.876 17.143 -2.626 94 2HZ LYS 8 HZ2 LYS 8 -6.687 18.028 -4.055 95 3HZ LYS 8 HZ3 LYS 8 -7.315 16.458 -4.111 96 H ARG 9 HN ARG 9 -7.581 20.662 -2.180 97 HA ARG 9 HA ARG 9 -4.902 20.394 -2.957 98 1HB ARG 9 HB2 ARG 9 -7.199 20.794 -4.296 99 2HB ARG 9 HB1 ARG 9 -6.555 22.429 -4.337 100 1HG ARG 9 HG2 ARG 9 -4.399 20.837 -5.038 101 2HG ARG 9 HG1 ARG 9 -5.776 20.095 -5.854 102 1HD ARG 9 HD2 ARG 9 -6.317 22.595 -6.480 103 2HD ARG 9 HD1 ARG 9 -4.589 22.805 -6.201 104 HE ARG 9 HE ARG 9 -5.224 20.603 -7.936 105 1HH1 ARG 9 1HH1 ARG 9 -4.611 24.035 -7.774 106 2HH1 ARG 9 2HH1 ARG 9 -4.113 24.149 -9.428 107 1HH2 ARG 9 1HH2 ARG 9 -4.569 20.753 -10.111 108 2HH2 ARG 9 2HH2 ARG 9 -4.090 22.288 -10.755 109 H THR 10 HN THR 10 -6.521 22.894 -1.231 110 HA THR 10 HA THR 10 -4.702 24.992 -1.850 111 HB THR 10 HB THR 10 -6.675 24.609 0.392 112 HG1 THR 10 HG1 THR 10 -6.675 26.069 -2.025 113 1HG2 THR 10 1HG2 THR 10 -5.718 26.276 1.478 114 2HG2 THR 10 2HG2 THR 10 -6.174 27.320 0.131 115 3HG2 THR 10 3HG2 THR 10 -4.581 26.562 0.161 116 H LEU 11 HN LEU 11 -4.718 22.360 0.430 117 HA LEU 11 HA LEU 11 -2.987 23.289 2.386 118 1HB LEU 11 HB2 LEU 11 -3.648 20.615 1.284 119 2HB LEU 11 HB1 LEU 11 -2.190 20.735 2.250 120 HG LEU 11 HG LEU 11 -3.479 21.589 4.139 121 1HD1 LEU 11 1HD1 LEU 11 -6.014 21.039 2.649 122 2HD1 LEU 11 2HD1 LEU 11 -5.237 22.618 2.547 123 3HD1 LEU 11 3HD1 LEU 11 -5.758 21.991 4.110 124 1HD2 LEU 11 1HD2 LEU 11 -4.160 18.994 2.860 125 2HD2 LEU 11 2HD2 LEU 11 -5.081 19.493 4.280 126 3HD2 LEU 11 3HD2 LEU 11 -3.329 19.325 4.380 127 H ARG 12 HN ARG 12 -2.367 22.917 -0.906 128 HA ARG 12 HA ARG 12 0.424 22.314 -0.731 129 1HB ARG 12 HB2 ARG 12 -1.544 22.886 -2.855 130 2HB ARG 12 HB1 ARG 12 0.112 23.362 -3.215 131 1HG ARG 12 HG2 ARG 12 0.664 20.937 -2.394 132 2HG ARG 12 HG1 ARG 12 -1.031 20.647 -2.785 133 1HD ARG 12 HD2 ARG 12 -0.065 20.148 -4.796 134 2HD ARG 12 HD1 ARG 12 -0.377 21.868 -5.022 135 HE ARG 12 HE ARG 12 2.115 21.852 -4.003 136 1HH1 ARG 12 1HH1 ARG 12 0.644 20.108 -6.643 137 2HH1 ARG 12 2HH1 ARG 12 2.114 19.991 -7.551 138 1HH2 ARG 12 1HH2 ARG 12 4.049 21.701 -5.195 139 2HH2 ARG 12 2HH2 ARG 12 4.048 20.896 -6.728 140 H ARG 13 HN ARG 13 -1.535 25.144 -0.573 141 HA ARG 13 HA ARG 13 0.345 27.061 -1.398 142 1HB ARG 13 HB2 ARG 13 -1.121 28.689 -0.544 143 2HB ARG 13 HB1 ARG 13 -2.160 27.368 -1.054 144 1HG ARG 13 HG2 ARG 13 -2.887 26.963 1.035 145 2HG ARG 13 HG1 ARG 13 -1.322 27.291 1.768 146 1HD ARG 13 HD2 ARG 13 -2.342 29.142 2.529 147 2HD ARG 13 HD1 ARG 13 -1.991 29.764 0.918 148 HE ARG 13 HE ARG 13 -4.578 28.981 1.970 149 1HH1 ARG 13 1HH1 ARG 13 -2.700 29.808 -0.859 150 2HH1 ARG 13 2HH1 ARG 13 -4.086 30.224 -1.807 151 1HH2 ARG 13 1HH2 ARG 13 -6.396 29.531 0.719 152 2HH2 ARG 13 2HH2 ARG 13 -6.182 30.069 -0.913 153 H LEU 14 HN LEU 14 -0.222 25.521 1.729 154 HA LEU 14 HA LEU 14 1.460 27.243 3.221 155 1HB LEU 14 HB2 LEU 14 -0.095 24.844 3.673 156 2HB LEU 14 HB1 LEU 14 1.442 24.765 4.512 157 HG LEU 14 HG LEU 14 0.854 27.090 5.435 158 1HD1 LEU 14 1HD1 LEU 14 -1.743 26.252 4.207 159 2HD1 LEU 14 2HD1 LEU 14 -0.937 27.820 4.155 160 3HD1 LEU 14 3HD1 LEU 14 -1.709 27.274 5.644 161 1HD2 LEU 14 1HD2 LEU 14 -0.939 24.857 6.345 162 2HD2 LEU 14 2HD2 LEU 14 -0.207 26.138 7.309 163 3HD2 LEU 14 3HD2 LEU 14 0.800 24.856 6.637 164 H LEU 15 HN LEU 15 2.014 24.016 1.800 165 HA LEU 15 HA LEU 15 4.704 23.858 2.675 166 1HB LEU 15 HB2 LEU 15 4.886 22.041 0.931 167 2HB LEU 15 HB1 LEU 15 3.678 21.809 2.177 168 HG LEU 15 HG LEU 15 2.228 23.031 0.185 169 1HD1 LEU 15 1HD1 LEU 15 3.707 20.939 -1.306 170 2HD1 LEU 15 2HD1 LEU 15 4.459 22.527 -1.158 171 3HD1 LEU 15 3HD1 LEU 15 2.864 22.372 -1.894 172 1HD2 LEU 15 1HD2 LEU 15 1.147 21.277 1.130 173 2HD2 LEU 15 2HD2 LEU 15 2.596 20.273 1.189 174 3HD2 LEU 15 3HD2 LEU 15 1.715 20.460 -0.326 175 H GLN 16 HN GLN 16 3.411 24.405 -0.623 176 HA GLN 16 HA GLN 16 5.721 24.904 -1.966 177 1HB GLN 16 HB2 GLN 16 2.944 25.944 -2.236 178 2HB GLN 16 HB1 GLN 16 4.204 26.696 -3.206 179 1HG GLN 16 HG2 GLN 16 4.783 24.506 -4.137 180 2HG GLN 16 HG1 GLN 16 3.491 23.772 -3.188 181 1HE2 GLN 16 1HE2 GLN 16 1.315 24.933 -3.512 182 2HE2 GLN 16 2HE2 GLN 16 0.887 25.263 -5.153 183 H GLU 17 HN GLU 17 4.112 27.057 0.289 184 HA GLU 17 HA GLU 17 5.432 29.440 -0.370 185 1HB GLU 17 HB2 GLU 17 3.810 28.434 1.833 186 2HB GLU 17 HB1 GLU 17 5.045 29.562 2.376 187 1HG GLU 17 HG2 GLU 17 3.425 30.323 0.013 188 2HG GLU 17 HG1 GLU 17 2.648 30.355 1.596 189 H ARG 18 HN ARG 18 6.327 26.797 1.790 190 HA ARG 18 HA ARG 18 8.575 27.967 2.970 191 1HB ARG 18 HB2 ARG 18 8.262 25.037 2.313 192 2HB ARG 18 HB1 ARG 18 9.235 25.742 3.596 193 1HG ARG 18 HG2 ARG 18 6.228 25.755 3.429 194 2HG ARG 18 HG1 ARG 18 7.220 24.765 4.501 195 1HD ARG 18 HD2 ARG 18 7.891 26.612 5.772 196 2HD ARG 18 HD1 ARG 18 7.396 27.759 4.530 197 HE ARG 18 HE ARG 18 5.078 26.538 5.246 198 1HH1 ARG 18 1HH1 ARG 18 7.587 28.202 7.013 199 2HH1 ARG 18 2HH1 ARG 18 6.514 28.768 8.248 200 1HH2 ARG 18 1HH2 ARG 18 3.666 27.284 6.870 201 2HH2 ARG 18 2HH2 ARG 18 4.288 28.248 8.168 202 H GLU 19 HN GLU 19 8.093 26.811 -0.231 203 HA GLU 19 HA GLU 19 9.432 26.782 -2.067 204 1HB GLU 19 HB2 GLU 19 11.487 28.185 -0.351 205 2HB GLU 19 HB1 GLU 19 11.428 28.145 -2.107 206 1HG GLU 19 HG2 GLU 19 9.007 29.191 -1.581 207 2HG GLU 19 HG1 GLU 19 9.916 29.791 -0.195 208 H LEU 20 HN LEU 20 9.347 24.495 -0.588 209 HA LEU 20 HA LEU 20 12.048 23.421 -1.001 210 1HB LEU 20 HB2 LEU 20 10.277 22.961 1.396 211 2HB LEU 20 HB1 LEU 20 11.647 21.938 1.003 212 HG LEU 20 HG LEU 20 12.025 24.892 1.348 213 1HD1 LEU 20 1HD1 LEU 20 12.528 23.161 3.682 214 2HD1 LEU 20 2HD1 LEU 20 10.837 23.515 3.324 215 3HD1 LEU 20 3HD1 LEU 20 11.975 24.834 3.602 216 1HD2 LEU 20 1HD2 LEU 20 13.770 23.251 0.417 217 2HD2 LEU 20 2HD2 LEU 20 13.899 22.669 2.077 218 3HD2 LEU 20 3HD2 LEU 20 14.264 24.353 1.701 219 H VAL 21 HN VAL 21 8.627 22.647 -0.453 220 HA VAL 21 HA VAL 21 8.958 20.177 -1.997 221 HB VAL 21 HB VAL 21 6.517 21.071 -0.462 222 1HG1 VAL 21 1HG1 VAL 21 7.269 18.264 -1.205 223 2HG1 VAL 21 2HG1 VAL 21 6.384 19.304 -2.320 224 3HG1 VAL 21 3HG1 VAL 21 5.691 18.906 -0.747 225 1HG2 VAL 21 1HG2 VAL 21 7.239 19.683 1.361 226 2HG2 VAL 21 2HG2 VAL 21 8.520 20.838 0.995 227 3HG2 VAL 21 3HG2 VAL 21 8.664 19.163 0.460 228 H GLU 22 HN GLU 22 8.321 20.074 -4.045 229 HA GLU 22 HA GLU 22 5.977 21.230 -5.067 230 1HB GLU 22 HB2 GLU 22 8.020 23.103 -4.827 231 2HB GLU 22 HB1 GLU 22 8.069 22.634 -6.521 232 1HG GLU 22 HG2 GLU 22 5.380 23.157 -5.486 233 2HG GLU 22 HG1 GLU 22 6.459 24.553 -5.478 234 HA PRO 23 HA PRO 23 8.772 19.510 -8.719 235 1HB PRO 23 HB2 PRO 23 10.909 18.244 -7.093 236 2HB PRO 23 HB1 PRO 23 11.025 19.103 -8.633 237 1HG PRO 23 HG2 PRO 23 11.862 20.236 -6.370 238 2HG PRO 23 HG1 PRO 23 11.035 21.188 -7.619 239 1HD PRO 23 HD2 PRO 23 9.979 20.125 -5.030 240 2HD PRO 23 HD1 PRO 23 9.670 21.686 -5.819 241 H LEU 24 HN LEU 24 6.790 18.266 -8.447 242 HA LEU 24 HA LEU 24 6.596 15.961 -6.864 243 1HB LEU 24 HB2 LEU 24 4.711 15.343 -8.260 244 2HB LEU 24 HB1 LEU 24 4.656 17.053 -7.878 245 HG LEU 24 HG LEU 24 5.920 16.258 -10.452 246 1HD1 LEU 24 1HD1 LEU 24 3.887 14.884 -10.346 247 2HD1 LEU 24 2HD1 LEU 24 3.780 16.143 -11.577 248 3HD1 LEU 24 3HD1 LEU 24 2.936 16.338 -10.040 249 1HD2 LEU 24 1HD2 LEU 24 4.553 18.597 -9.257 250 2HD2 LEU 24 2HD2 LEU 24 4.362 18.350 -10.992 251 3HD2 LEU 24 3HD2 LEU 24 5.974 18.521 -10.299 252 H THR 25 HN THR 25 7.273 13.919 -7.102 253 HA THR 25 HA THR 25 8.272 13.020 -9.695 254 HB THR 25 HB THR 25 10.319 13.728 -8.830 255 HG1 THR 25 HG1 THR 25 11.389 11.789 -8.214 256 1HG2 THR 25 1HG2 THR 25 9.224 12.961 -6.185 257 2HG2 THR 25 2HG2 THR 25 10.123 14.399 -6.668 258 3HG2 THR 25 3HG2 THR 25 10.969 12.871 -6.429 259 HA PRO 26 HA PRO 26 6.367 9.266 -8.348 260 1HB PRO 26 HB2 PRO 26 7.284 7.570 -10.190 261 2HB PRO 26 HB1 PRO 26 6.224 8.912 -10.633 262 1HG PRO 26 HG2 PRO 26 9.194 8.678 -10.899 263 2HG PRO 26 HG1 PRO 26 8.017 9.343 -12.047 264 1HD PRO 26 HD2 PRO 26 9.557 10.858 -10.327 265 2HD PRO 26 HD1 PRO 26 8.018 11.389 -11.034 266 H SER 27 HN SER 27 9.524 9.911 -7.716 267 HA SER 27 HA SER 27 9.807 7.596 -6.035 268 1HB SER 27 HB2 SER 27 10.731 7.194 -8.546 269 2HB SER 27 HB1 SER 27 12.165 7.896 -7.798 270 HG SER 27 HG SER 27 11.041 5.435 -7.445 271 H GLY 28 HN GLY 28 9.581 10.099 -5.138 272 1HA GLY 28 HA2 GLY 28 12.264 11.213 -4.780 273 2HA GLY 28 HA1 GLY 28 10.752 11.979 -4.315 274 H GLU 29 HN GLU 29 9.607 11.065 -2.458 275 HA GLU 29 HA GLU 29 11.520 10.128 -0.442 276 1HB GLU 29 HB2 GLU 29 8.904 11.605 -0.265 277 2HB GLU 29 HB1 GLU 29 9.602 10.812 1.141 278 1HG GLU 29 HG2 GLU 29 11.172 12.783 -0.477 279 2HG GLU 29 HG1 GLU 29 10.063 13.304 0.792 280 H ALA 30 HN ALA 30 8.504 9.387 -2.017 281 HA ALA 30 HA ALA 30 7.808 7.163 -2.422 282 1HB ALA 30 HB1 ALA 30 8.274 5.350 -1.071 283 2HB ALA 30 HB2 ALA 30 8.475 6.334 0.374 284 3HB ALA 30 HB3 ALA 30 9.715 6.345 -0.879 285 HA PRO 31 HA PRO 31 4.590 7.519 1.194 286 1HB PRO 31 HB2 PRO 31 5.438 9.967 2.603 287 2HB PRO 31 HB1 PRO 31 4.930 8.410 3.263 288 1HG PRO 31 HG2 PRO 31 7.488 9.213 3.355 289 2HG PRO 31 HG1 PRO 31 7.050 7.510 3.129 290 1HD PRO 31 HD2 PRO 31 7.969 9.517 1.109 291 2HD PRO 31 HD1 PRO 31 8.389 7.803 1.270 292 H ASN 32 HN ASN 32 6.016 10.613 0.186 293 HA ASN 32 HA ASN 32 3.878 12.265 0.058 294 1HB ASN 32 HB2 ASN 32 6.372 12.010 -1.480 295 2HB ASN 32 HB1 ASN 32 5.102 12.917 -2.295 296 1HD2 ASN 32 1HD2 ASN 32 5.753 12.695 1.161 297 2HD2 ASN 32 2HD2 ASN 32 6.107 14.370 1.385 298 H GLN 33 HN GLN 33 4.877 10.325 -2.775 299 HA GLN 33 HA GLN 33 2.610 10.834 -4.309 300 1HB GLN 33 HB2 GLN 33 3.219 8.906 -5.635 301 2HB GLN 33 HB1 GLN 33 4.651 9.832 -5.213 302 1HG GLN 33 HG2 GLN 33 4.252 7.868 -3.206 303 2HG GLN 33 HG1 GLN 33 4.121 7.082 -4.778 304 1HE2 GLN 33 1HE2 GLN 33 5.964 6.243 -5.404 305 2HE2 GLN 33 2HE2 GLN 33 7.536 6.904 -5.135 306 H ALA 34 HN ALA 34 3.034 8.696 -1.624 307 HA ALA 34 HA ALA 34 0.837 6.975 -2.127 308 1HB ALA 34 HB1 ALA 34 1.201 6.112 -0.006 309 2HB ALA 34 HB2 ALA 34 1.742 7.661 0.644 310 3HB ALA 34 HB3 ALA 34 2.798 6.735 -0.423 311 H LEU 35 HN LEU 35 1.229 9.686 0.143 312 HA LEU 35 HA LEU 35 -1.516 9.963 0.731 313 1HB LEU 35 HB2 LEU 35 0.397 12.262 0.828 314 2HB LEU 35 HB1 LEU 35 -0.945 11.902 1.898 315 HG LEU 35 HG LEU 35 1.032 9.804 2.046 316 1HD1 LEU 35 1HD1 LEU 35 2.021 12.574 2.000 317 2HD1 LEU 35 2HD1 LEU 35 2.871 11.055 1.711 318 3HD1 LEU 35 3HD1 LEU 35 2.559 11.592 3.362 319 1HD2 LEU 35 1HD2 LEU 35 -0.278 9.861 3.893 320 2HD2 LEU 35 2HD2 LEU 35 -0.477 11.612 3.835 321 3HD2 LEU 35 3HD2 LEU 35 1.011 10.914 4.475 322 H LEU 36 HN LEU 36 0.544 11.144 -1.796 323 HA LEU 36 HA LEU 36 -0.966 13.263 -2.759 324 1HB LEU 36 HB2 LEU 36 1.287 11.742 -3.619 325 2HB LEU 36 HB1 LEU 36 0.218 11.994 -4.985 326 HG LEU 36 HG LEU 36 0.447 14.479 -3.643 327 1HD1 LEU 36 1HD1 LEU 36 3.049 14.584 -4.219 328 2HD1 LEU 36 2HD1 LEU 36 2.949 12.903 -3.693 329 3HD1 LEU 36 3HD1 LEU 36 2.441 14.199 -2.610 330 1HD2 LEU 36 1HD2 LEU 36 1.092 13.303 -6.277 331 2HD2 LEU 36 2HD2 LEU 36 1.885 14.825 -5.872 332 3HD2 LEU 36 3HD2 LEU 36 0.125 14.719 -5.871 333 H ARG 37 HN ARG 37 -1.117 9.810 -3.753 334 HA ARG 37 HA ARG 37 -3.565 10.488 -5.225 335 1HB ARG 37 HB2 ARG 37 -3.222 8.491 -6.506 336 2HB ARG 37 HB1 ARG 37 -1.715 9.395 -6.464 337 1HG ARG 37 HG2 ARG 37 -0.854 7.899 -4.742 338 2HG ARG 37 HG1 ARG 37 -2.373 6.999 -4.762 339 1HD ARG 37 HD2 ARG 37 -1.948 6.065 -6.822 340 2HD ARG 37 HD1 ARG 37 -0.875 7.375 -7.312 341 HE ARG 37 HE ARG 37 0.186 5.861 -5.137 342 1HH1 ARG 37 1HH1 ARG 37 -0.210 5.906 -8.603 343 2HH1 ARG 37 2HH1 ARG 37 1.166 4.896 -8.899 344 1HH2 ARG 37 1HH2 ARG 37 1.997 4.534 -5.523 345 2HH2 ARG 37 2HH2 ARG 37 2.418 4.116 -7.151 346 H ILE 38 HN ILE 38 -2.688 8.978 -2.266 347 HA ILE 38 HA ILE 38 -4.828 7.056 -2.345 348 HB ILE 38 HB ILE 38 -2.922 6.610 -0.895 349 1HG1 ILE 38 2HG1 ILE 38 -4.644 6.772 1.325 350 2HG1 ILE 38 1HG1 ILE 38 -5.692 6.606 -0.079 351 1HG2 ILE 38 1HG2 ILE 38 -3.778 8.675 1.060 352 2HG2 ILE 38 2HG2 ILE 38 -2.799 9.177 -0.317 353 3HG2 ILE 38 3HG2 ILE 38 -2.190 7.953 0.797 354 1HD1 ILE 38 1HD1 ILE 38 -3.551 4.756 -0.336 355 2HD1 ILE 38 2HD1 ILE 38 -5.275 4.439 -0.141 356 3HD1 ILE 38 3HD1 ILE 38 -4.243 4.602 1.279 357 H LEU 39 HN LEU 39 -4.345 10.129 -0.612 358 HA LEU 39 HA LEU 39 -6.921 10.208 0.516 359 1HB LEU 39 HB2 LEU 39 -4.709 12.135 0.096 360 2HB LEU 39 HB1 LEU 39 -6.302 12.824 0.350 361 HG LEU 39 HG LEU 39 -4.821 10.991 2.233 362 1HD1 LEU 39 1HD1 LEU 39 -3.880 12.991 2.714 363 2HD1 LEU 39 2HD1 LEU 39 -5.361 13.192 3.649 364 3HD1 LEU 39 3HD1 LEU 39 -5.227 13.912 2.045 365 1HD2 LEU 39 1HD2 LEU 39 -7.653 11.873 2.115 366 2HD2 LEU 39 2HD2 LEU 39 -6.871 11.798 3.696 367 3HD2 LEU 39 3HD2 LEU 39 -6.961 10.355 2.686 368 H LYS 40 HN LYS 40 -5.797 10.715 -2.662 369 HA LYS 40 HA LYS 40 -8.153 12.262 -3.429 370 1HB LYS 40 HB2 LYS 40 -5.526 11.628 -4.726 371 2HB LYS 40 HB1 LYS 40 -6.880 12.175 -5.703 372 1HG LYS 40 HG2 LYS 40 -5.203 13.913 -4.904 373 2HG LYS 40 HG1 LYS 40 -6.914 14.274 -4.704 374 1HD LYS 40 HD2 LYS 40 -6.267 14.835 -2.610 375 2HD LYS 40 HD1 LYS 40 -6.391 13.107 -2.322 376 1HE LYS 40 HE2 LYS 40 -4.282 14.166 -1.502 377 2HE LYS 40 HE1 LYS 40 -4.056 12.804 -2.596 378 1HZ LYS 40 HZ1 LYS 40 -2.816 15.139 -2.876 379 2HZ LYS 40 HZ2 LYS 40 -4.174 15.426 -3.842 380 3HZ LYS 40 HZ3 LYS 40 -3.162 14.114 -4.177 381 H GLU 41 HN GLU 41 -6.568 9.164 -4.055 382 HA GLU 41 HA GLU 41 -8.765 8.365 -5.810 383 1HB GLU 41 HB2 GLU 41 -7.450 6.541 -6.470 384 2HB GLU 41 HB1 GLU 41 -6.286 7.838 -6.237 385 1HG GLU 41 HG2 GLU 41 -5.148 6.377 -5.016 386 2HG GLU 41 HG1 GLU 41 -6.359 6.667 -3.769 387 H THR 42 HN THR 42 -8.284 8.487 -2.585 388 HA THR 42 HA THR 42 -10.179 6.305 -2.127 389 HB THR 42 HB THR 42 -7.690 6.885 -0.522 390 HG1 THR 42 HG1 THR 42 -7.215 5.562 -2.206 391 1HG2 THR 42 1HG2 THR 42 -8.809 6.149 1.254 392 2HG2 THR 42 2HG2 THR 42 -8.699 4.565 0.486 393 3HG2 THR 42 3HG2 THR 42 -10.149 5.547 0.279 394 H GLU 43 HN GLU 43 -9.831 9.484 -2.111 395 HA GLU 43 HA GLU 43 -10.377 10.595 0.305 396 1HB GLU 43 HB2 GLU 43 -12.040 12.101 -1.072 397 2HB GLU 43 HB1 GLU 43 -10.312 12.175 -1.371 398 1HG GLU 43 HG2 GLU 43 -10.607 11.603 -3.486 399 2HG GLU 43 HG1 GLU 43 -11.474 10.142 -3.015 400 H PHE 44 HN PHE 44 -12.961 9.540 -1.922 401 HA PHE 44 HA PHE 44 -14.839 9.483 0.284 402 1HB PHE 44 HB2 PHE 44 -15.084 9.221 -2.696 403 2HB PHE 44 HB1 PHE 44 -16.419 8.767 -1.644 404 HD1 PHE 44 HD1 PHE 44 -15.697 11.174 -3.756 405 HD2 PHE 44 HD2 PHE 44 -16.354 10.790 0.431 406 HE1 PHE 44 HE1 PHE 44 -16.412 13.525 -3.656 407 HE2 PHE 44 HE2 PHE 44 -17.071 13.141 0.539 408 HZ PHE 44 HZ PHE 44 -17.100 14.512 -1.507 409 H LYS 45 HN LYS 45 -12.862 7.282 -1.482 410 HA LYS 45 HA LYS 45 -14.400 4.944 -1.234 411 1HB LYS 45 HB2 LYS 45 -11.389 5.045 -1.172 412 2HB LYS 45 HB1 LYS 45 -12.412 3.738 -1.752 413 1HG LYS 45 HG2 LYS 45 -11.997 6.431 -3.029 414 2HG LYS 45 HG1 LYS 45 -11.474 4.859 -3.637 415 1HD LYS 45 HD2 LYS 45 -13.776 4.176 -3.948 416 2HD LYS 45 HD1 LYS 45 -14.347 5.687 -3.236 417 1HE LYS 45 HE2 LYS 45 -14.488 6.323 -5.397 418 2HE LYS 45 HE1 LYS 45 -12.773 6.667 -5.177 419 1HZ LYS 45 HZ1 LYS 45 -13.753 4.050 -6.154 420 2HZ LYS 45 HZ2 LYS 45 -12.180 4.666 -6.225 421 3HZ LYS 45 HZ3 LYS 45 -13.392 5.330 -7.199 422 H LYS 46 HN LYS 46 -11.924 6.324 0.916 423 HA LYS 46 HA LYS 46 -12.044 4.207 2.805 424 1HB LYS 46 HB2 LYS 46 -10.740 5.683 4.258 425 2HB LYS 46 HB1 LYS 46 -10.084 5.637 2.630 426 1HG LYS 46 HG2 LYS 46 -11.662 7.772 2.376 427 2HG LYS 46 HG1 LYS 46 -11.342 7.862 4.110 428 1HD LYS 46 HD2 LYS 46 -8.875 7.307 2.871 429 2HD LYS 46 HD1 LYS 46 -9.642 8.572 1.910 430 1HE LYS 46 HE2 LYS 46 -9.534 8.759 4.898 431 2HE LYS 46 HE1 LYS 46 -8.157 9.247 3.913 432 1HZ LYS 46 HZ1 LYS 46 -10.911 10.335 3.675 433 2HZ LYS 46 HZ2 LYS 46 -9.574 10.818 2.760 434 3HZ LYS 46 HZ3 LYS 46 -9.609 11.115 4.424 435 H ILE 47 HN ILE 47 -13.603 7.398 2.681 436 HA ILE 47 HA ILE 47 -14.743 7.208 5.261 437 HB ILE 47 HB ILE 47 -16.267 9.036 4.536 438 1HG1 ILE 47 2HG1 ILE 47 -15.249 10.007 2.217 439 2HG1 ILE 47 1HG1 ILE 47 -15.159 8.278 1.904 440 1HG2 ILE 47 1HG2 ILE 47 -13.333 9.096 4.505 441 2HG2 ILE 47 2HG2 ILE 47 -14.481 10.041 5.453 442 3HG2 ILE 47 3HG2 ILE 47 -14.118 10.505 3.791 443 1HD1 ILE 47 1HD1 ILE 47 -17.671 8.490 2.883 444 2HD1 ILE 47 2HD1 ILE 47 -17.252 8.552 1.171 445 3HD1 ILE 47 3HD1 ILE 47 -17.484 10.047 2.077 446 H LYS 48 HN LYS 48 -16.261 6.717 2.041 447 HA LYS 48 HA LYS 48 -18.787 6.044 2.893 448 1HB LYS 48 HB2 LYS 48 -19.018 4.764 0.809 449 2HB LYS 48 HB1 LYS 48 -18.225 6.308 0.536 450 1HG LYS 48 HG2 LYS 48 -16.646 5.196 -0.546 451 2HG LYS 48 HG1 LYS 48 -16.142 4.536 1.010 452 1HD LYS 48 HD2 LYS 48 -17.430 2.576 0.705 453 2HD LYS 48 HD1 LYS 48 -18.314 3.282 -0.649 454 1HE LYS 48 HE2 LYS 48 -15.347 2.778 -0.701 455 2HE LYS 48 HE1 LYS 48 -16.535 1.596 -1.252 456 1HZ LYS 48 HZ1 LYS 48 -16.791 4.274 -2.353 457 2HZ LYS 48 HZ2 LYS 48 -16.974 2.770 -3.107 458 3HZ LYS 48 HZ3 LYS 48 -15.427 3.401 -2.846 459 H VAL 49 HN VAL 49 -15.884 4.081 2.886 460 HA VAL 49 HA VAL 49 -17.261 1.658 3.619 461 HB VAL 49 HB VAL 49 -14.300 2.243 3.732 462 1HG1 VAL 49 1HG1 VAL 49 -14.384 0.276 4.844 463 2HG1 VAL 49 2HG1 VAL 49 -14.499 -0.389 3.215 464 3HG1 VAL 49 3HG1 VAL 49 -15.957 -0.159 4.178 465 1HG2 VAL 49 1HG2 VAL 49 -15.603 2.504 1.480 466 2HG2 VAL 49 2HG2 VAL 49 -15.604 0.741 1.504 467 3HG2 VAL 49 3HG2 VAL 49 -14.076 1.621 1.524 468 H LEU 50 HN LEU 50 -15.668 4.281 5.279 469 HA LEU 50 HA LEU 50 -15.553 2.856 7.798 470 1HB LEU 50 HB2 LEU 50 -14.888 5.683 7.001 471 2HB LEU 50 HB1 LEU 50 -14.802 5.120 8.660 472 HG LEU 50 HG LEU 50 -13.279 3.710 6.495 473 1HD1 LEU 50 1HD1 LEU 50 -11.329 5.142 7.196 474 2HD1 LEU 50 2HD1 LEU 50 -12.500 6.226 7.948 475 3HD1 LEU 50 3HD1 LEU 50 -12.550 5.943 6.207 476 1HD2 LEU 50 1HD2 LEU 50 -13.033 2.426 8.345 477 2HD2 LEU 50 2HD2 LEU 50 -13.346 3.764 9.450 478 3HD2 LEU 50 3HD2 LEU 50 -11.762 3.598 8.692 479 H GLY 51 HN GLY 51 -17.634 5.155 6.198 480 1HA GLY 51 HA2 GLY 51 -19.207 5.494 8.656 481 2HA GLY 51 HA1 GLY 51 -19.338 6.486 7.211 482 H SER 52 HN SER 52 -19.201 3.006 7.048 483 HA SER 52 HA SER 52 -21.485 2.764 5.467 484 1HB SER 52 HB2 SER 52 -19.486 1.072 6.200 485 2HB SER 52 HB1 SER 52 -20.827 0.418 7.138 486 HG SER 52 HG SER 52 -22.010 0.530 5.049 487 H GLY 53 HN GLY 53 -21.114 2.856 8.931 488 1HA GLY 53 HA2 GLY 53 -22.680 3.035 10.604 489 2HA GLY 53 HA1 GLY 53 -23.877 3.325 9.352 Start of MODEL 21 1 1H ARG 1 HT1 ARG 1 -4.526 31.298 7.033 2 2H ARG 1 HT2 ARG 1 -3.927 29.714 7.306 3 3H ARG 1 HT3 ARG 1 -3.158 31.061 8.038 4 HA ARG 1 HA ARG 1 -5.809 29.937 8.611 5 1HB ARG 1 HB2 ARG 1 -3.189 30.226 10.066 6 2HB ARG 1 HB1 ARG 1 -4.692 29.970 10.940 7 1HG ARG 1 HG2 ARG 1 -4.341 28.079 8.765 8 2HG ARG 1 HG1 ARG 1 -3.028 28.017 9.942 9 1HD ARG 1 HD2 ARG 1 -4.339 27.138 11.537 10 2HD ARG 1 HD1 ARG 1 -5.696 28.188 11.135 11 HE ARG 1 HE ARG 1 -5.224 25.515 10.179 12 1HH1 ARG 1 1HH1 ARG 1 -6.856 28.539 9.562 13 2HH1 ARG 1 2HH1 ARG 1 -8.077 27.819 8.568 14 1HH2 ARG 1 1HH2 ARG 1 -6.831 24.569 8.874 15 2HH2 ARG 1 2HH2 ARG 1 -8.065 25.567 8.178 16 H ARG 2 HN ARG 2 -6.893 31.905 8.023 17 HA ARG 2 HA ARG 2 -6.465 34.073 9.973 18 1HB ARG 2 HB2 ARG 2 -6.825 34.143 7.044 19 2HB ARG 2 HB1 ARG 2 -7.760 35.330 7.943 20 1HG ARG 2 HG2 ARG 2 -4.774 34.962 8.054 21 2HG ARG 2 HG1 ARG 2 -5.642 36.264 7.238 22 1HD ARG 2 HD2 ARG 2 -5.248 37.363 9.169 23 2HD ARG 2 HD1 ARG 2 -6.681 36.490 9.708 24 HE ARG 2 HE ARG 2 -4.221 35.066 10.141 25 1HH1 ARG 2 1HH1 ARG 2 -6.441 37.413 11.459 26 2HH1 ARG 2 2HH1 ARG 2 -5.953 37.139 13.098 27 1HH2 ARG 2 1HH2 ARG 2 -3.579 34.704 12.297 28 2HH2 ARG 2 2HH2 ARG 2 -4.329 35.602 13.573 29 H ARG 3 HN ARG 3 -9.065 33.545 7.618 30 HA ARG 3 HA ARG 3 -10.933 32.819 9.714 31 1HB ARG 3 HB2 ARG 3 -10.861 35.498 8.441 32 2HB ARG 3 HB1 ARG 3 -12.446 34.759 8.630 33 1HG ARG 3 HG2 ARG 3 -10.710 34.692 11.009 34 2HG ARG 3 HG1 ARG 3 -11.272 36.286 10.500 35 1HD ARG 3 HD2 ARG 3 -12.941 35.591 11.951 36 2HD ARG 3 HD1 ARG 3 -13.596 35.166 10.370 37 HE ARG 3 HE ARG 3 -12.344 32.902 11.119 38 1HH1 ARG 3 1HH1 ARG 3 -14.652 34.964 12.735 39 2HH1 ARG 3 2HH1 ARG 3 -15.348 33.672 13.655 40 1HH2 ARG 3 1HH2 ARG 3 -13.260 31.203 12.327 41 2HH2 ARG 3 2HH2 ARG 3 -14.558 31.538 13.424 42 H HIS 4 HN HIS 4 -10.701 30.926 8.236 43 HA HIS 4 HA HIS 4 -11.549 29.528 6.658 44 1HB HIS 4 HB2 HIS 4 -13.700 31.228 7.484 45 2HB HIS 4 HB1 HIS 4 -13.875 30.888 5.766 46 HD1 HIS 4 HD1 HIS 4 -12.604 28.500 8.421 47 HD2 HIS 4 HD2 HIS 4 -15.819 28.976 5.832 48 HE1 HIS 4 HE1 HIS 4 -13.947 26.383 8.619 49 HE2 HIS 4 HE2 HIS 4 -15.836 26.657 6.975 50 H ILE 5 HN ILE 5 -9.755 31.695 5.841 51 HA ILE 5 HA ILE 5 -10.655 32.148 3.076 52 HB ILE 5 HB ILE 5 -8.377 33.512 4.518 53 1HG1 ILE 5 2HG1 ILE 5 -10.802 35.053 3.851 54 2HG1 ILE 5 1HG1 ILE 5 -11.017 33.848 5.117 55 1HG2 ILE 5 1HG2 ILE 5 -9.471 33.624 1.783 56 2HG2 ILE 5 2HG2 ILE 5 -7.839 33.946 2.372 57 3HG2 ILE 5 3HG2 ILE 5 -9.092 35.177 2.529 58 1HD1 ILE 5 1HD1 ILE 5 -10.447 35.752 6.288 59 2HD1 ILE 5 2HD1 ILE 5 -9.259 36.259 5.087 60 3HD1 ILE 5 3HD1 ILE 5 -8.908 34.901 6.157 61 H VAL 6 HN VAL 6 -8.062 30.851 5.052 62 HA VAL 6 HA VAL 6 -6.358 30.212 2.837 63 HB VAL 6 HB VAL 6 -5.358 30.615 5.002 64 1HG1 VAL 6 1HG1 VAL 6 -6.591 30.014 6.770 65 2HG1 VAL 6 2HG1 VAL 6 -5.800 28.447 6.599 66 3HG1 VAL 6 3HG1 VAL 6 -7.393 28.713 5.892 67 1HG2 VAL 6 1HG2 VAL 6 -5.023 27.676 4.451 68 2HG2 VAL 6 2HG2 VAL 6 -3.829 28.816 5.072 69 3HG2 VAL 6 3HG2 VAL 6 -4.364 28.925 3.396 70 H ARG 7 HN ARG 7 -6.230 28.374 1.685 71 HA ARG 7 HA ARG 7 -7.962 26.126 2.481 72 1HB ARG 7 HB2 ARG 7 -8.219 25.684 0.012 73 2HB ARG 7 HB1 ARG 7 -9.013 27.138 0.599 74 1HG ARG 7 HG2 ARG 7 -6.280 27.566 -0.353 75 2HG ARG 7 HG1 ARG 7 -7.406 27.003 -1.589 76 1HD ARG 7 HD2 ARG 7 -8.810 28.854 -1.316 77 2HD ARG 7 HD1 ARG 7 -8.109 29.267 0.248 78 HE ARG 7 HE ARG 7 -6.147 29.441 -1.777 79 1HH1 ARG 7 1HH1 ARG 7 -8.967 31.102 -0.567 80 2HH1 ARG 7 2HH1 ARG 7 -8.443 32.656 -1.119 81 1HH2 ARG 7 1HH2 ARG 7 -5.455 31.486 -2.504 82 2HH2 ARG 7 2HH2 ARG 7 -6.449 32.875 -2.219 83 H LYS 8 HN LYS 8 -7.275 24.147 0.925 84 HA LYS 8 HA LYS 8 -4.848 23.207 1.876 85 1HB LYS 8 HB2 LYS 8 -6.764 22.377 -0.215 86 2HB LYS 8 HB1 LYS 8 -5.137 21.729 -0.375 87 1HG LYS 8 HG2 LYS 8 -6.366 20.144 0.855 88 2HG LYS 8 HG1 LYS 8 -5.329 20.970 2.019 89 1HD LYS 8 HD2 LYS 8 -7.976 22.186 1.634 90 2HD LYS 8 HD1 LYS 8 -7.996 20.570 2.343 91 1HE LYS 8 HE2 LYS 8 -6.408 21.317 4.060 92 2HE LYS 8 HE1 LYS 8 -6.423 22.935 3.359 93 1HZ LYS 8 HZ1 LYS 8 -8.428 21.600 4.990 94 2HZ LYS 8 HZ2 LYS 8 -9.015 22.571 3.736 95 3HZ LYS 8 HZ3 LYS 8 -8.004 23.236 4.918 96 H ARG 9 HN ARG 9 -5.542 24.357 -1.437 97 HA ARG 9 HA ARG 9 -2.980 24.184 -2.455 98 1HB ARG 9 HB2 ARG 9 -4.916 26.389 -3.146 99 2HB ARG 9 HB1 ARG 9 -3.675 25.687 -4.176 100 1HG ARG 9 HG2 ARG 9 -5.355 24.486 -5.024 101 2HG ARG 9 HG1 ARG 9 -5.169 23.498 -3.573 102 1HD ARG 9 HD2 ARG 9 -6.781 25.403 -2.602 103 2HD ARG 9 HD1 ARG 9 -7.274 25.448 -4.294 104 HE ARG 9 HE ARG 9 -7.780 23.351 -2.389 105 1HH1 ARG 9 1HH1 ARG 9 -7.520 24.150 -5.778 106 2HH1 ARG 9 2HH1 ARG 9 -8.509 22.824 -6.293 107 1HH2 ARG 9 1HH2 ARG 9 -9.079 21.608 -3.067 108 2HH2 ARG 9 2HH2 ARG 9 -9.393 21.381 -4.755 109 H THR 10 HN THR 10 -4.236 26.446 -0.177 110 HA THR 10 HA THR 10 -2.057 28.317 -0.591 111 HB THR 10 HB THR 10 -4.214 28.339 1.508 112 HG1 THR 10 HG1 THR 10 -5.180 29.886 0.104 113 1HG2 THR 10 1HG2 THR 10 -3.235 30.902 0.708 114 2HG2 THR 10 2HG2 THR 10 -1.912 29.888 1.286 115 3HG2 THR 10 3HG2 THR 10 -3.314 30.181 2.315 116 H LEU 11 HN LEU 11 -2.781 25.594 1.403 117 HA LEU 11 HA LEU 11 -1.307 26.157 3.697 118 1HB LEU 11 HB2 LEU 11 -2.169 23.697 2.302 119 2HB LEU 11 HB1 LEU 11 -0.824 23.513 3.410 120 HG LEU 11 HG LEU 11 -2.164 24.377 5.243 121 1HD1 LEU 11 1HD1 LEU 11 -4.422 25.046 5.017 122 2HD1 LEU 11 2HD1 LEU 11 -4.487 24.504 3.341 123 3HD1 LEU 11 3HD1 LEU 11 -3.516 25.910 3.775 124 1HD2 LEU 11 1HD2 LEU 11 -2.270 21.935 4.440 125 2HD2 LEU 11 2HD2 LEU 11 -3.881 22.349 3.855 126 3HD2 LEU 11 3HD2 LEU 11 -3.502 22.497 5.571 127 H ARG 12 HN ARG 12 -0.219 25.929 0.518 128 HA ARG 12 HA ARG 12 2.422 24.963 1.107 129 1HB ARG 12 HB2 ARG 12 0.834 25.612 -1.253 130 2HB ARG 12 HB1 ARG 12 2.509 26.133 -1.396 131 1HG ARG 12 HG2 ARG 12 1.591 23.340 -0.739 132 2HG ARG 12 HG1 ARG 12 2.171 23.896 -2.311 133 1HD ARG 12 HD2 ARG 12 4.333 23.874 -1.666 134 2HD ARG 12 HD1 ARG 12 3.959 24.445 -0.042 135 HE ARG 12 HE ARG 12 3.815 22.265 0.673 136 1HH1 ARG 12 1HH1 ARG 12 3.948 22.334 -2.816 137 2HH1 ARG 12 2HH1 ARG 12 4.195 20.628 -2.964 138 1HH2 ARG 12 1HH2 ARG 12 4.140 20.020 0.478 139 2HH2 ARG 12 2HH2 ARG 12 4.303 19.314 -1.095 140 H ARG 13 HN ARG 13 0.815 27.930 1.357 141 HA ARG 13 HA ARG 13 2.905 29.702 0.673 142 1HB ARG 13 HB2 ARG 13 1.596 31.408 1.775 143 2HB ARG 13 HB1 ARG 13 0.530 30.366 0.844 144 1HG ARG 13 HG2 ARG 13 -0.695 30.457 2.728 145 2HG ARG 13 HG1 ARG 13 0.364 29.131 3.205 146 1HD ARG 13 HD2 ARG 13 0.335 30.638 5.026 147 2HD ARG 13 HD1 ARG 13 1.883 30.881 4.218 148 HE ARG 13 HE ARG 13 -0.180 32.663 3.313 149 1HH1 ARG 13 1HH1 ARG 13 2.295 32.145 5.718 150 2HH1 ARG 13 2HH1 ARG 13 2.482 33.830 6.070 151 1HH2 ARG 13 1HH2 ARG 13 0.066 34.881 3.774 152 2HH2 ARG 13 2HH2 ARG 13 1.216 35.384 4.967 153 H LEU 14 HN LEU 14 1.890 28.328 3.801 154 HA LEU 14 HA LEU 14 3.916 29.691 5.273 155 1HB LEU 14 HB2 LEU 14 1.619 28.332 5.906 156 2HB LEU 14 HB1 LEU 14 2.864 27.231 6.461 157 HG LEU 14 HG LEU 14 3.511 29.886 7.335 158 1HD1 LEU 14 1HD1 LEU 14 1.248 30.526 7.244 159 2HD1 LEU 14 2HD1 LEU 14 1.553 30.092 8.926 160 3HD1 LEU 14 3HD1 LEU 14 0.700 28.969 7.867 161 1HD2 LEU 14 1HD2 LEU 14 3.795 28.851 9.397 162 2HD2 LEU 14 2HD2 LEU 14 4.101 27.549 8.248 163 3HD2 LEU 14 3HD2 LEU 14 2.547 27.648 9.077 164 H LEU 15 HN LEU 15 3.604 26.340 4.097 165 HA LEU 15 HA LEU 15 6.002 25.404 5.226 166 1HB LEU 15 HB2 LEU 15 4.678 24.368 2.726 167 2HB LEU 15 HB1 LEU 15 5.744 23.488 3.805 168 HG LEU 15 HG LEU 15 3.053 24.545 4.654 169 1HD1 LEU 15 1HD1 LEU 15 2.008 22.670 3.954 170 2HD1 LEU 15 2HD1 LEU 15 3.435 21.657 4.176 171 3HD1 LEU 15 3HD1 LEU 15 3.293 22.681 2.747 172 1HD2 LEU 15 1HD2 LEU 15 4.807 22.410 5.858 173 2HD2 LEU 15 2HD2 LEU 15 3.306 23.058 6.521 174 3HD2 LEU 15 3HD2 LEU 15 4.739 24.081 6.418 175 H GLN 16 HN GLN 16 5.325 26.262 1.824 176 HA GLN 16 HA GLN 16 7.984 26.021 0.961 177 1HB GLN 16 HB2 GLN 16 5.693 27.618 -0.168 178 2HB GLN 16 HB1 GLN 16 7.240 27.429 -0.978 179 1HG GLN 16 HG2 GLN 16 5.851 24.962 -0.122 180 2HG GLN 16 HG1 GLN 16 5.162 25.857 -1.476 181 1HE2 GLN 16 1HE2 GLN 16 6.032 25.608 -3.428 182 2HE2 GLN 16 2HE2 GLN 16 7.498 24.757 -3.767 183 H GLU 17 HN GLU 17 6.398 28.578 2.678 184 HA GLU 17 HA GLU 17 7.822 30.815 1.938 185 1HB GLU 17 HB2 GLU 17 6.157 30.054 4.106 186 2HB GLU 17 HB1 GLU 17 7.587 30.807 4.796 187 1HG GLU 17 HG2 GLU 17 6.620 32.327 2.552 188 2HG GLU 17 HG1 GLU 17 5.342 32.073 3.740 189 H ARG 18 HN ARG 18 8.808 28.172 4.028 190 HA ARG 18 HA ARG 18 11.067 29.175 5.217 191 1HB ARG 18 HB2 ARG 18 11.870 26.873 5.342 192 2HB ARG 18 HB1 ARG 18 10.147 26.958 5.683 193 1HG ARG 18 HG2 ARG 18 9.942 26.422 3.121 194 2HG ARG 18 HG1 ARG 18 11.563 25.768 3.360 195 1HD ARG 18 HD2 ARG 18 10.830 24.170 4.883 196 2HD ARG 18 HD1 ARG 18 9.331 25.036 5.214 197 HE ARG 18 HE ARG 18 9.577 24.097 2.503 198 1HH1 ARG 18 1HH1 ARG 18 8.531 23.300 5.736 199 2HH1 ARG 18 2HH1 ARG 18 7.406 22.093 5.210 200 1HH2 ARG 18 1HH2 ARG 18 8.097 22.510 1.809 201 2HH2 ARG 18 2HH2 ARG 18 7.160 21.645 2.981 202 H GLU 19 HN GLU 19 10.809 27.760 1.967 203 HA GLU 19 HA GLU 19 12.200 27.804 0.166 204 1HB GLU 19 HB2 GLU 19 13.116 30.368 1.479 205 2HB GLU 19 HB1 GLU 19 13.502 29.891 -0.168 206 1HG GLU 19 HG2 GLU 19 11.161 29.962 -0.772 207 2HG GLU 19 HG1 GLU 19 10.722 30.344 0.892 208 H LEU 20 HN LEU 20 13.104 26.486 2.649 209 HA LEU 20 HA LEU 20 15.976 26.421 2.028 210 1HB LEU 20 HB2 LEU 20 14.713 26.278 4.768 211 2HB LEU 20 HB1 LEU 20 16.406 25.966 4.435 212 HG LEU 20 HG LEU 20 15.185 28.600 3.685 213 1HD1 LEU 20 1HD1 LEU 20 14.599 28.282 6.017 214 2HD1 LEU 20 2HD1 LEU 20 15.884 29.480 5.866 215 3HD1 LEU 20 3HD1 LEU 20 16.265 27.842 6.396 216 1HD2 LEU 20 1HD2 LEU 20 17.537 29.330 4.159 217 2HD2 LEU 20 2HD2 LEU 20 17.359 28.222 2.799 218 3HD2 LEU 20 3HD2 LEU 20 17.956 27.627 4.349 219 H VAL 21 HN VAL 21 13.240 24.705 3.496 220 HA VAL 21 HA VAL 21 14.573 22.149 3.270 221 HB VAL 21 HB VAL 21 11.681 22.650 3.972 222 1HG1 VAL 21 1HG1 VAL 21 12.117 20.485 5.276 223 2HG1 VAL 21 2HG1 VAL 21 13.545 20.319 4.256 224 3HG1 VAL 21 3HG1 VAL 21 11.942 20.375 3.525 225 1HG2 VAL 21 1HG2 VAL 21 13.910 22.306 5.956 226 2HG2 VAL 21 2HG2 VAL 21 12.256 22.846 6.241 227 3HG2 VAL 21 3HG2 VAL 21 13.393 23.896 5.395 228 H GLU 22 HN GLU 22 14.710 21.164 1.375 229 HA GLU 22 HA GLU 22 12.470 20.406 -0.132 230 1HB GLU 22 HB2 GLU 22 13.201 23.023 -0.685 231 2HB GLU 22 HB1 GLU 22 13.968 22.103 -1.973 232 1HG GLU 22 HG2 GLU 22 11.780 21.068 -2.479 233 2HG GLU 22 HG1 GLU 22 11.045 22.109 -1.260 234 HA PRO 23 HA PRO 23 16.521 19.121 -2.421 235 1HB PRO 23 HB2 PRO 23 18.728 20.265 -0.880 236 2HB PRO 23 HB1 PRO 23 18.386 20.400 -2.606 237 1HG PRO 23 HG2 PRO 23 18.148 22.491 -0.907 238 2HG PRO 23 HG1 PRO 23 17.124 22.301 -2.343 239 1HD PRO 23 HD2 PRO 23 16.500 21.691 0.525 240 2HD PRO 23 HD1 PRO 23 15.484 22.467 -0.709 241 H LEU 24 HN LEU 24 15.291 17.648 -0.648 242 HA LEU 24 HA LEU 24 17.445 16.206 0.708 243 1HB LEU 24 HB2 LEU 24 16.459 17.594 2.432 244 2HB LEU 24 HB1 LEU 24 14.852 17.041 2.006 245 HG LEU 24 HG LEU 24 16.742 14.907 2.761 246 1HD1 LEU 24 1HD1 LEU 24 16.169 17.199 4.533 247 2HD1 LEU 24 2HD1 LEU 24 17.535 16.083 4.520 248 3HD1 LEU 24 3HD1 LEU 24 16.002 15.593 5.239 249 1HD2 LEU 24 1HD2 LEU 24 14.064 15.084 2.372 250 2HD2 LEU 24 2HD2 LEU 24 14.163 15.244 4.125 251 3HD2 LEU 24 3HD2 LEU 24 14.853 13.830 3.329 252 H THR 25 HN THR 25 13.900 16.066 0.296 253 HA THR 25 HA THR 25 12.510 14.375 -0.322 254 HB THR 25 HB THR 25 13.072 13.181 -2.293 255 HG1 THR 25 HG1 THR 25 15.806 13.780 -1.903 256 1HG2 THR 25 1HG2 THR 25 14.800 15.615 -2.552 257 2HG2 THR 25 2HG2 THR 25 13.039 15.699 -2.514 258 3HG2 THR 25 3HG2 THR 25 13.852 14.800 -3.795 259 HA PRO 26 HA PRO 26 13.926 11.544 2.989 260 1HB PRO 26 HB2 PRO 26 11.097 10.712 2.509 261 2HB PRO 26 HB1 PRO 26 11.949 10.973 4.036 262 1HG PRO 26 HG2 PRO 26 10.233 12.787 3.121 263 2HG PRO 26 HG1 PRO 26 11.741 13.280 3.912 264 1HD PRO 26 HD2 PRO 26 11.017 13.313 1.023 265 2HD PRO 26 HD1 PRO 26 12.058 14.419 1.941 266 H SER 27 HN SER 27 12.337 10.865 -0.063 267 HA SER 27 HA SER 27 13.921 8.454 -0.353 268 1HB SER 27 HB2 SER 27 11.535 7.448 -1.215 269 2HB SER 27 HB1 SER 27 12.224 7.141 0.379 270 HG SER 27 HG SER 27 10.546 9.357 -0.148 271 H GLY 28 HN GLY 28 11.197 10.242 -1.813 272 1HA GLY 28 HA2 GLY 28 12.171 11.438 -3.929 273 2HA GLY 28 HA1 GLY 28 12.367 9.773 -4.458 274 H GLU 29 HN GLU 29 10.191 8.467 -3.939 275 HA GLU 29 HA GLU 29 7.798 9.997 -4.422 276 1HB GLU 29 HB2 GLU 29 8.985 8.243 -6.570 277 2HB GLU 29 HB1 GLU 29 7.285 8.691 -6.541 278 1HG GLU 29 HG2 GLU 29 8.087 11.103 -6.484 279 2HG GLU 29 HG1 GLU 29 9.674 10.463 -6.909 280 H ALA 30 HN ALA 30 8.500 8.330 -2.320 281 HA ALA 30 HA ALA 30 6.971 5.872 -2.806 282 1HB ALA 30 HB1 ALA 30 7.994 5.507 -0.331 283 2HB ALA 30 HB2 ALA 30 9.229 6.542 -1.050 284 3HB ALA 30 HB3 ALA 30 8.798 5.016 -1.823 285 HA PRO 31 HA PRO 31 4.750 7.419 1.091 286 1HB PRO 31 HB2 PRO 31 5.674 9.556 2.477 287 2HB PRO 31 HB1 PRO 31 6.236 7.908 2.766 288 1HG PRO 31 HG2 PRO 31 7.551 10.123 1.269 289 2HG PRO 31 HG1 PRO 31 8.272 8.880 2.304 290 1HD PRO 31 HD2 PRO 31 8.269 8.807 -0.447 291 2HD PRO 31 HD1 PRO 31 8.426 7.383 0.596 292 H ASN 32 HN ASN 32 6.213 10.502 0.023 293 HA ASN 32 HA ASN 32 4.079 12.151 0.101 294 1HB ASN 32 HB2 ASN 32 5.114 13.208 -2.056 295 2HB ASN 32 HB1 ASN 32 6.027 13.210 -0.551 296 1HD2 ASN 32 1HD2 ASN 32 7.902 12.090 -0.419 297 2HD2 ASN 32 2HD2 ASN 32 8.618 11.245 -1.744 298 H GLN 33 HN GLN 33 4.873 10.104 -2.722 299 HA GLN 33 HA GLN 33 2.595 10.861 -4.205 300 1HB GLN 33 HB2 GLN 33 4.038 8.235 -4.470 301 2HB GLN 33 HB1 GLN 33 3.124 9.095 -5.700 302 1HG GLN 33 HG2 GLN 33 5.197 10.793 -4.735 303 2HG GLN 33 HG1 GLN 33 5.885 9.228 -5.162 304 1HE2 GLN 33 1HE2 GLN 33 5.757 12.072 -6.368 305 2HE2 GLN 33 2HE2 GLN 33 5.420 11.770 -8.034 306 H ALA 34 HN ALA 34 3.028 8.632 -1.609 307 HA ALA 34 HA ALA 34 0.817 6.940 -2.106 308 1HB ALA 34 HB1 ALA 34 1.348 5.956 -0.136 309 2HB ALA 34 HB2 ALA 34 1.527 7.496 0.707 310 3HB ALA 34 HB3 ALA 34 2.833 6.891 -0.312 311 H LEU 35 HN LEU 35 1.238 9.695 0.100 312 HA LEU 35 HA LEU 35 -1.522 9.946 0.712 313 1HB LEU 35 HB2 LEU 35 0.220 12.338 0.873 314 2HB LEU 35 HB1 LEU 35 -0.941 11.719 2.030 315 HG LEU 35 HG LEU 35 0.975 9.791 2.144 316 1HD1 LEU 35 1HD1 LEU 35 3.092 10.582 1.845 317 2HD1 LEU 35 2HD1 LEU 35 2.626 12.258 2.129 318 3HD1 LEU 35 3HD1 LEU 35 2.256 11.491 0.585 319 1HD2 LEU 35 1HD2 LEU 35 1.455 12.150 3.855 320 2HD2 LEU 35 2HD2 LEU 35 1.185 10.463 4.293 321 3HD2 LEU 35 3HD2 LEU 35 -0.182 11.495 3.868 322 H LEU 36 HN LEU 36 0.547 11.089 -1.814 323 HA LEU 36 HA LEU 36 -0.934 13.250 -2.748 324 1HB LEU 36 HB2 LEU 36 1.283 12.971 -3.528 325 2HB LEU 36 HB1 LEU 36 0.940 11.376 -4.160 326 HG LEU 36 HG LEU 36 -0.493 12.363 -5.895 327 1HD1 LEU 36 1HD1 LEU 36 0.015 14.984 -6.069 328 2HD1 LEU 36 2HD1 LEU 36 0.019 14.805 -4.315 329 3HD1 LEU 36 3HD1 LEU 36 -1.401 14.329 -5.246 330 1HD2 LEU 36 1HD2 LEU 36 1.989 12.021 -6.185 331 2HD2 LEU 36 2HD2 LEU 36 2.180 13.745 -5.866 332 3HD2 LEU 36 3HD2 LEU 36 1.249 13.203 -7.263 333 H ARG 37 HN ARG 37 -1.140 9.802 -3.770 334 HA ARG 37 HA ARG 37 -3.567 10.544 -5.240 335 1HB ARG 37 HB2 ARG 37 -3.276 8.342 -6.367 336 2HB ARG 37 HB1 ARG 37 -1.951 9.467 -6.628 337 1HG ARG 37 HG2 ARG 37 -0.459 8.177 -5.542 338 2HG ARG 37 HG1 ARG 37 -1.640 7.627 -4.351 339 1HD ARG 37 HD2 ARG 37 -2.377 5.903 -5.678 340 2HD ARG 37 HD1 ARG 37 -1.915 6.716 -7.172 341 HE ARG 37 HE ARG 37 0.462 6.218 -5.993 342 1HH1 ARG 37 1HH1 ARG 37 -2.293 4.206 -6.727 343 2HH1 ARG 37 2HH1 ARG 37 -1.346 2.771 -6.937 344 1HH2 ARG 37 1HH2 ARG 37 1.709 4.332 -6.268 345 2HH2 ARG 37 2HH2 ARG 37 0.926 2.842 -6.675 346 H ILE 38 HN ILE 38 -2.680 8.952 -2.318 347 HA ILE 38 HA ILE 38 -4.872 7.099 -2.377 348 HB ILE 38 HB ILE 38 -2.877 6.697 -0.964 349 1HG1 ILE 38 2HG1 ILE 38 -4.342 6.266 1.197 350 2HG1 ILE 38 1HG1 ILE 38 -5.658 6.731 0.124 351 1HG2 ILE 38 1HG2 ILE 38 -2.832 9.176 -0.237 352 2HG2 ILE 38 2HG2 ILE 38 -2.359 7.935 0.922 353 3HG2 ILE 38 3HG2 ILE 38 -3.964 8.659 1.013 354 1HD1 ILE 38 1HD1 ILE 38 -4.389 4.223 0.367 355 2HD1 ILE 38 2HD1 ILE 38 -4.017 4.856 -1.237 356 3HD1 ILE 38 3HD1 ILE 38 -5.696 4.693 -0.721 357 H LEU 39 HN LEU 39 -4.319 10.197 -0.704 358 HA LEU 39 HA LEU 39 -6.837 10.328 0.525 359 1HB LEU 39 HB2 LEU 39 -4.657 11.779 0.806 360 2HB LEU 39 HB1 LEU 39 -5.437 12.807 -0.381 361 HG LEU 39 HG LEU 39 -5.807 13.514 1.978 362 1HD1 LEU 39 1HD1 LEU 39 -7.911 14.285 1.549 363 2HD1 LEU 39 2HD1 LEU 39 -8.473 12.737 0.920 364 3HD1 LEU 39 3HD1 LEU 39 -7.442 13.769 -0.071 365 1HD2 LEU 39 1HD2 LEU 39 -7.633 11.141 2.211 366 2HD2 LEU 39 2HD2 LEU 39 -7.114 12.261 3.470 367 3HD2 LEU 39 3HD2 LEU 39 -5.968 11.104 2.794 368 H LYS 40 HN LYS 40 -5.852 10.813 -2.729 369 HA LYS 40 HA LYS 40 -8.314 12.242 -3.399 370 1HB LYS 40 HB2 LYS 40 -5.738 11.723 -4.849 371 2HB LYS 40 HB1 LYS 40 -7.170 12.247 -5.724 372 1HG LYS 40 HG2 LYS 40 -5.670 14.097 -5.142 373 2HG LYS 40 HG1 LYS 40 -7.277 14.272 -4.438 374 1HD LYS 40 HD2 LYS 40 -6.279 14.576 -2.466 375 2HD LYS 40 HD1 LYS 40 -5.804 12.883 -2.520 376 1HE LYS 40 HE2 LYS 40 -3.690 13.533 -2.534 377 2HE LYS 40 HE1 LYS 40 -3.967 14.211 -4.139 378 1HZ LYS 40 HZ1 LYS 40 -4.117 16.311 -3.329 379 2HZ LYS 40 HZ2 LYS 40 -3.109 15.672 -2.132 380 3HZ LYS 40 HZ3 LYS 40 -4.768 15.831 -1.842 381 H GLU 41 HN GLU 41 -6.593 9.245 -4.124 382 HA GLU 41 HA GLU 41 -8.804 8.332 -5.795 383 1HB GLU 41 HB2 GLU 41 -7.401 6.592 -6.504 384 2HB GLU 41 HB1 GLU 41 -6.311 7.956 -6.286 385 1HG GLU 41 HG2 GLU 41 -5.060 6.539 -5.124 386 2HG GLU 41 HG1 GLU 41 -6.232 6.784 -3.832 387 H THR 42 HN THR 42 -8.263 8.483 -2.593 388 HA THR 42 HA THR 42 -10.037 6.214 -2.090 389 HB THR 42 HB THR 42 -7.497 6.860 -0.593 390 HG1 THR 42 HG1 THR 42 -8.384 4.660 -2.118 391 1HG2 THR 42 1HG2 THR 42 -9.870 5.402 0.317 392 2HG2 THR 42 2HG2 THR 42 -8.561 6.140 1.240 393 3HG2 THR 42 3HG2 THR 42 -8.340 4.548 0.513 394 H GLU 43 HN GLU 43 -9.826 9.404 -2.070 395 HA GLU 43 HA GLU 43 -10.321 10.455 0.389 396 1HB GLU 43 HB2 GLU 43 -11.979 12.014 -0.813 397 2HB GLU 43 HB1 GLU 43 -10.315 12.008 -1.361 398 1HG GLU 43 HG2 GLU 43 -11.112 10.306 -3.113 399 2HG GLU 43 HG1 GLU 43 -12.732 10.850 -2.684 400 H PHE 44 HN PHE 44 -12.917 9.245 -1.763 401 HA PHE 44 HA PHE 44 -14.715 9.142 0.506 402 1HB PHE 44 HB2 PHE 44 -15.033 8.882 -2.460 403 2HB PHE 44 HB1 PHE 44 -16.301 8.294 -1.390 404 HD1 PHE 44 HD1 PHE 44 -14.126 11.301 -1.108 405 HD2 PHE 44 HD2 PHE 44 -18.062 9.767 -1.623 406 HE1 PHE 44 HE1 PHE 44 -15.033 13.581 -0.935 407 HE2 PHE 44 HE2 PHE 44 -18.977 12.045 -1.452 408 HZ PHE 44 HZ PHE 44 -17.462 13.955 -1.108 409 H LYS 45 HN LYS 45 -12.760 6.995 -1.389 410 HA LYS 45 HA LYS 45 -14.153 4.602 -1.054 411 1HB LYS 45 HB2 LYS 45 -11.148 4.848 -1.039 412 2HB LYS 45 HB1 LYS 45 -12.109 3.475 -1.568 413 1HG LYS 45 HG2 LYS 45 -11.943 6.163 -2.916 414 2HG LYS 45 HG1 LYS 45 -11.206 4.660 -3.469 415 1HD LYS 45 HD2 LYS 45 -13.186 3.794 -4.198 416 2HD LYS 45 HD1 LYS 45 -14.137 4.664 -2.994 417 1HE LYS 45 HE2 LYS 45 -13.753 6.754 -4.237 418 2HE LYS 45 HE1 LYS 45 -12.862 5.846 -5.457 419 1HZ LYS 45 HZ1 LYS 45 -15.278 6.342 -5.940 420 2HZ LYS 45 HZ2 LYS 45 -15.662 5.199 -4.756 421 3HZ LYS 45 HZ3 LYS 45 -14.792 4.732 -6.128 422 H LYS 46 HN LYS 46 -11.620 6.008 1.030 423 HA LYS 46 HA LYS 46 -11.741 3.902 2.931 424 1HB LYS 46 HB2 LYS 46 -10.316 5.302 4.317 425 2HB LYS 46 HB1 LYS 46 -9.750 5.301 2.654 426 1HG LYS 46 HG2 LYS 46 -9.702 7.513 2.783 427 2HG LYS 46 HG1 LYS 46 -11.466 7.473 2.778 428 1HD LYS 46 HD2 LYS 46 -11.589 7.628 5.112 429 2HD LYS 46 HD1 LYS 46 -9.901 7.157 5.319 430 1HE LYS 46 HE2 LYS 46 -10.683 9.688 3.906 431 2HE LYS 46 HE1 LYS 46 -10.495 9.621 5.658 432 1HZ LYS 46 HZ1 LYS 46 -8.404 10.226 5.040 433 2HZ LYS 46 HZ2 LYS 46 -8.464 9.410 3.559 434 3HZ LYS 46 HZ3 LYS 46 -8.215 8.544 4.991 435 H ILE 47 HN ILE 47 -13.340 7.047 2.721 436 HA ILE 47 HA ILE 47 -14.354 6.953 5.375 437 HB ILE 47 HB ILE 47 -15.645 8.871 4.887 438 1HG1 ILE 47 2HG1 ILE 47 -15.256 8.193 1.968 439 2HG1 ILE 47 1HG1 ILE 47 -16.771 8.193 2.860 440 1HG2 ILE 47 1HG2 ILE 47 -13.734 9.992 4.907 441 2HG2 ILE 47 2HG2 ILE 47 -13.720 9.928 3.146 442 3HG2 ILE 47 3HG2 ILE 47 -12.897 8.680 4.079 443 1HD1 ILE 47 1HD1 ILE 47 -16.672 10.590 3.099 444 2HD1 ILE 47 2HD1 ILE 47 -16.529 10.143 1.398 445 3HD1 ILE 47 3HD1 ILE 47 -15.097 10.629 2.305 446 H LYS 48 HN LYS 48 -15.983 6.358 2.228 447 HA LYS 48 HA LYS 48 -18.477 5.697 3.172 448 1HB LYS 48 HB2 LYS 48 -18.786 4.404 1.135 449 2HB LYS 48 HB1 LYS 48 -17.908 5.886 0.785 450 1HG LYS 48 HG2 LYS 48 -15.793 4.476 0.967 451 2HG LYS 48 HG1 LYS 48 -16.865 3.077 0.890 452 1HD LYS 48 HD2 LYS 48 -16.764 5.283 -1.166 453 2HD LYS 48 HD1 LYS 48 -15.939 3.731 -1.316 454 1HE LYS 48 HE2 LYS 48 -18.844 3.685 -0.725 455 2HE LYS 48 HE1 LYS 48 -18.355 4.177 -2.345 456 1HZ LYS 48 HZ1 LYS 48 -18.786 1.714 -1.918 457 2HZ LYS 48 HZ2 LYS 48 -17.297 1.709 -1.116 458 3HZ LYS 48 HZ3 LYS 48 -17.373 2.126 -2.753 459 H VAL 49 HN VAL 49 -15.571 3.741 3.151 460 HA VAL 49 HA VAL 49 -16.918 1.334 3.978 461 HB VAL 49 HB VAL 49 -13.959 1.931 4.032 462 1HG1 VAL 49 1HG1 VAL 49 -14.155 -0.002 5.250 463 2HG1 VAL 49 2HG1 VAL 49 -14.029 -0.665 3.620 464 3HG1 VAL 49 3HG1 VAL 49 -15.607 -0.524 4.395 465 1HG2 VAL 49 1HG2 VAL 49 -13.763 1.237 1.832 466 2HG2 VAL 49 2HG2 VAL 49 -15.253 2.178 1.793 467 3HG2 VAL 49 3HG2 VAL 49 -15.324 0.416 1.843 468 H LEU 50 HN LEU 50 -15.339 4.018 5.546 469 HA LEU 50 HA LEU 50 -15.194 2.642 8.099 470 1HB LEU 50 HB2 LEU 50 -14.452 5.423 7.215 471 2HB LEU 50 HB1 LEU 50 -14.367 4.908 8.889 472 HG LEU 50 HG LEU 50 -12.882 3.483 6.690 473 1HD1 LEU 50 1HD1 LEU 50 -10.953 4.848 7.968 474 2HD1 LEU 50 2HD1 LEU 50 -12.268 6.020 8.057 475 3HD1 LEU 50 3HD1 LEU 50 -11.733 5.413 6.490 476 1HD2 LEU 50 1HD2 LEU 50 -12.886 3.422 9.679 477 2HD2 LEU 50 2HD2 LEU 50 -11.433 2.978 8.784 478 3HD2 LEU 50 3HD2 LEU 50 -12.932 2.085 8.530 479 H GLY 51 HN GLY 51 -17.229 4.959 6.467 480 1HA GLY 51 HA2 GLY 51 -18.768 5.377 8.939 481 2HA GLY 51 HA1 GLY 51 -18.857 6.383 7.502 482 H SER 52 HN SER 52 -18.968 2.858 7.603 483 HA SER 52 HA SER 52 -21.152 2.655 5.873 484 1HB SER 52 HB2 SER 52 -19.372 0.880 6.817 485 2HB SER 52 HB1 SER 52 -20.746 0.468 7.842 486 HG SER 52 HG SER 52 -20.335 -0.094 5.236 487 H GLY 53 HN GLY 53 -21.000 3.079 9.326 488 1HA GLY 53 HA2 GLY 53 -23.801 2.410 9.709 489 2HA GLY 53 HA1 GLY 53 -22.679 2.954 10.946 Start of MODEL 22 1 1H ARG 1 HT1 ARG 1 16.433 9.878 33.865 2 2H ARG 1 HT2 ARG 1 15.272 10.013 32.608 3 3H ARG 1 HT3 ARG 1 16.414 8.732 32.590 4 HA ARG 1 HA ARG 1 15.439 8.058 34.781 5 1HB ARG 1 HB2 ARG 1 13.667 10.259 33.879 6 2HB ARG 1 HB1 ARG 1 12.866 8.843 34.546 7 1HG ARG 1 HG2 ARG 1 15.055 10.347 35.958 8 2HG ARG 1 HG1 ARG 1 13.334 10.656 36.190 9 1HD ARG 1 HD2 ARG 1 14.590 7.949 36.585 10 2HD ARG 1 HD1 ARG 1 14.428 9.131 37.883 11 HE ARG 1 HE ARG 1 12.379 7.458 36.828 12 1HH1 ARG 1 1HH1 ARG 1 12.966 10.594 38.242 13 2HH1 ARG 1 2HH1 ARG 1 11.362 10.750 38.873 14 1HH2 ARG 1 1HH2 ARG 1 10.266 7.661 37.657 15 2HH2 ARG 1 2HH2 ARG 1 9.829 9.084 38.542 16 H ARG 2 HN ARG 2 14.504 8.546 31.459 17 HA ARG 2 HA ARG 2 12.738 6.308 31.295 18 1HB ARG 2 HB2 ARG 2 14.059 8.111 29.297 19 2HB ARG 2 HB1 ARG 2 13.262 6.641 28.753 20 1HG ARG 2 HG2 ARG 2 11.548 8.069 30.555 21 2HG ARG 2 HG1 ARG 2 12.101 9.139 29.266 22 1HD ARG 2 HD2 ARG 2 11.298 7.623 27.586 23 2HD ARG 2 HD1 ARG 2 10.908 6.410 28.804 24 HE ARG 2 HE ARG 2 9.529 8.866 29.256 25 1HH1 ARG 2 1HH1 ARG 2 9.487 5.938 27.358 26 2HH1 ARG 2 2HH1 ARG 2 7.776 5.984 27.097 27 1HH2 ARG 2 1HH2 ARG 2 7.279 8.929 28.913 28 2HH2 ARG 2 2HH2 ARG 2 6.522 7.682 27.979 29 H ARG 3 HN ARG 3 15.618 6.636 29.259 30 HA ARG 3 HA ARG 3 16.812 4.238 30.330 31 1HB ARG 3 HB2 ARG 3 14.922 3.862 28.381 32 2HB ARG 3 HB1 ARG 3 16.404 3.941 27.439 33 1HG ARG 3 HG2 ARG 3 16.424 2.218 29.845 34 2HG ARG 3 HG1 ARG 3 15.469 1.677 28.463 35 1HD ARG 3 HD2 ARG 3 17.624 2.252 27.111 36 2HD ARG 3 HD1 ARG 3 18.417 2.119 28.680 37 HE ARG 3 HE ARG 3 16.950 -0.162 28.495 38 1HH1 ARG 3 1HH1 ARG 3 19.339 1.358 26.454 39 2HH1 ARG 3 2HH1 ARG 3 19.922 -0.139 25.810 40 1HH2 ARG 3 1HH2 ARG 3 17.716 -2.132 27.647 41 2HH2 ARG 3 2HH2 ARG 3 19.002 -2.121 26.486 42 H HIS 4 HN HIS 4 17.404 7.146 29.656 43 HA HIS 4 HA HIS 4 19.091 8.417 28.797 44 1HB HIS 4 HB2 HIS 4 20.170 6.522 30.376 45 2HB HIS 4 HB1 HIS 4 20.993 6.146 28.867 46 HD1 HIS 4 HD1 HIS 4 20.149 9.660 29.922 47 HD2 HIS 4 HD2 HIS 4 23.452 7.158 29.616 48 HE1 HIS 4 HE1 HIS 4 22.148 11.138 30.299 49 HE2 HIS 4 HE2 HIS 4 24.131 9.586 30.193 50 H ILE 5 HN ILE 5 18.597 8.869 26.707 51 HA ILE 5 HA ILE 5 20.004 7.298 24.684 52 HB ILE 5 HB ILE 5 17.266 8.243 23.983 53 1HG1 ILE 5 2HG1 ILE 5 16.572 5.781 24.532 54 2HG1 ILE 5 1HG1 ILE 5 17.923 5.842 25.660 55 1HG2 ILE 5 1HG2 ILE 5 18.926 7.390 22.316 56 2HG2 ILE 5 2HG2 ILE 5 17.382 6.539 22.328 57 3HG2 ILE 5 3HG2 ILE 5 18.795 5.811 23.091 58 1HD1 ILE 5 1HD1 ILE 5 16.596 6.796 27.142 59 2HD1 ILE 5 2HD1 ILE 5 15.276 6.835 25.972 60 3HD1 ILE 5 3HD1 ILE 5 16.412 8.181 26.066 61 H VAL 6 HN VAL 6 20.821 8.484 23.036 62 HA VAL 6 HA VAL 6 20.940 11.324 23.396 63 HB VAL 6 HB VAL 6 22.875 9.993 22.630 64 1HG1 VAL 6 1HG1 VAL 6 21.590 9.851 19.924 65 2HG1 VAL 6 2HG1 VAL 6 21.412 8.549 21.101 66 3HG1 VAL 6 3HG1 VAL 6 23.015 9.001 20.520 67 1HG2 VAL 6 1HG2 VAL 6 21.860 12.280 20.981 68 2HG2 VAL 6 2HG2 VAL 6 23.425 11.542 20.641 69 3HG2 VAL 6 3HG2 VAL 6 23.118 12.269 22.218 70 H ARG 7 HN ARG 7 19.772 12.857 22.438 71 HA ARG 7 HA ARG 7 18.056 12.087 20.170 72 1HB ARG 7 HB2 ARG 7 16.957 12.602 22.439 73 2HB ARG 7 HB1 ARG 7 17.374 14.278 22.112 74 1HG ARG 7 HG2 ARG 7 15.131 13.956 21.421 75 2HG ARG 7 HG1 ARG 7 16.113 14.082 19.961 76 1HD ARG 7 HD2 ARG 7 16.099 11.676 19.703 77 2HD ARG 7 HD1 ARG 7 15.220 11.492 21.221 78 HE ARG 7 HE ARG 7 13.826 13.146 19.358 79 1HH1 ARG 7 1HH1 ARG 7 14.504 9.830 20.208 80 2HH1 ARG 7 2HH1 ARG 7 13.052 9.218 19.491 81 1HH2 ARG 7 1HH2 ARG 7 11.915 12.343 18.413 82 2HH2 ARG 7 2HH2 ARG 7 11.582 10.644 18.471 83 H LYS 8 HN LYS 8 20.643 14.016 21.072 84 HA LYS 8 HA LYS 8 19.988 16.222 19.292 85 1HB LYS 8 HB2 LYS 8 21.778 15.815 21.510 86 2HB LYS 8 HB1 LYS 8 22.680 16.411 20.124 87 1HG LYS 8 HG2 LYS 8 20.156 17.813 20.683 88 2HG LYS 8 HG1 LYS 8 21.418 17.989 21.903 89 1HD LYS 8 HD2 LYS 8 21.748 18.535 18.953 90 2HD LYS 8 HD1 LYS 8 21.519 19.762 20.201 91 1HE LYS 8 HE2 LYS 8 23.610 18.398 21.230 92 2HE LYS 8 HE1 LYS 8 23.906 18.178 19.506 93 1HZ LYS 8 HZ1 LYS 8 23.236 20.878 20.341 94 2HZ LYS 8 HZ2 LYS 8 24.387 20.344 19.223 95 3HZ LYS 8 HZ3 LYS 8 24.732 20.297 20.879 96 H ARG 9 HN ARG 9 22.664 13.882 19.610 97 HA ARG 9 HA ARG 9 23.575 14.390 16.939 98 1HB ARG 9 HB2 ARG 9 24.357 12.296 18.970 99 2HB ARG 9 HB1 ARG 9 25.151 12.505 17.416 100 1HG ARG 9 HG2 ARG 9 26.552 13.825 18.547 101 2HG ARG 9 HG1 ARG 9 25.267 15.028 18.418 102 1HD ARG 9 HD2 ARG 9 25.968 14.937 20.701 103 2HD ARG 9 HD1 ARG 9 24.371 14.199 20.591 104 HE ARG 9 HE ARG 9 25.285 12.197 21.232 105 1HH1 ARG 9 1HH1 ARG 9 27.852 14.382 20.330 106 2HH1 ARG 9 2HH1 ARG 9 29.110 13.338 20.903 107 1HH2 ARG 9 1HH2 ARG 9 26.937 10.823 21.986 108 2HH2 ARG 9 2HH2 ARG 9 28.592 11.319 21.842 109 H THR 10 HN THR 10 21.104 12.483 18.228 110 HA THR 10 HA THR 10 21.279 10.287 16.404 111 HB THR 10 HB THR 10 20.101 10.483 18.749 112 HG1 THR 10 HG1 THR 10 20.074 8.539 17.808 113 1HG2 THR 10 1HG2 THR 10 17.837 11.182 16.895 114 2HG2 THR 10 2HG2 THR 10 18.472 12.182 18.201 115 3HG2 THR 10 3HG2 THR 10 17.670 10.656 18.571 116 H LEU 11 HN LEU 11 19.138 13.132 16.655 117 HA LEU 11 HA LEU 11 17.588 12.666 14.407 118 1HB LEU 11 HB2 LEU 11 17.314 15.172 14.326 119 2HB LEU 11 HB1 LEU 11 16.916 14.405 15.850 120 HG LEU 11 HG LEU 11 19.435 15.046 16.404 121 1HD1 LEU 11 1HD1 LEU 11 19.451 16.064 13.973 122 2HD1 LEU 11 2HD1 LEU 11 20.309 16.842 15.303 123 3HD1 LEU 11 3HD1 LEU 11 18.729 17.444 14.802 124 1HD2 LEU 11 1HD2 LEU 11 17.622 17.364 16.573 125 2HD2 LEU 11 2HD2 LEU 11 18.539 16.542 17.835 126 3HD2 LEU 11 3HD2 LEU 11 17.021 15.854 17.259 127 H ARG 12 HN ARG 12 20.891 13.594 14.629 128 HA ARG 12 HA ARG 12 21.199 14.859 12.144 129 1HB ARG 12 HB2 ARG 12 22.931 13.773 14.218 130 2HB ARG 12 HB1 ARG 12 23.595 13.520 12.611 131 1HG ARG 12 HG2 ARG 12 24.439 15.569 12.853 132 2HG ARG 12 HG1 ARG 12 22.807 16.123 12.473 133 1HD ARG 12 HD2 ARG 12 22.462 16.876 14.553 134 2HD ARG 12 HD1 ARG 12 23.167 15.435 15.285 135 HE ARG 12 HE ARG 12 24.446 17.943 14.883 136 1HH1 ARG 12 1HH1 ARG 12 25.033 14.504 14.952 137 2HH1 ARG 12 2HH1 ARG 12 26.700 14.671 15.389 138 1HH2 ARG 12 1HH2 ARG 12 26.639 18.164 15.458 139 2HH2 ARG 12 2HH2 ARG 12 27.611 16.749 15.677 140 H ARG 13 HN ARG 13 20.854 11.540 13.062 141 HA ARG 13 HA ARG 13 21.881 10.413 10.645 142 1HB ARG 13 HB2 ARG 13 21.184 8.325 11.498 143 2HB ARG 13 HB1 ARG 13 21.670 9.257 12.908 144 1HG ARG 13 HG2 ARG 13 19.037 9.846 12.816 145 2HG ARG 13 HG1 ARG 13 19.032 8.215 12.144 146 1HD ARG 13 HD2 ARG 13 20.703 8.592 14.537 147 2HD ARG 13 HD1 ARG 13 18.969 8.778 14.792 148 HE ARG 13 HE ARG 13 20.388 6.346 14.194 149 1HH1 ARG 13 1HH1 ARG 13 17.296 7.963 14.106 150 2HH1 ARG 13 2HH1 ARG 13 16.385 6.489 14.104 151 1HH2 ARG 13 1HH2 ARG 13 19.192 4.408 14.192 152 2HH2 ARG 13 2HH2 ARG 13 17.463 4.472 14.153 153 H LEU 14 HN LEU 14 18.759 11.509 11.774 154 HA LEU 14 HA LEU 14 17.206 10.349 9.697 155 1HB LEU 14 HB2 LEU 14 16.794 12.302 11.862 156 2HB LEU 14 HB1 LEU 14 15.760 12.528 10.463 157 HG LEU 14 HG LEU 14 14.930 10.237 10.684 158 1HD1 LEU 14 1HD1 LEU 14 17.218 9.666 11.967 159 2HD1 LEU 14 2HD1 LEU 14 15.758 8.685 12.095 160 3HD1 LEU 14 3HD1 LEU 14 16.139 9.868 13.348 161 1HD2 LEU 14 1HD2 LEU 14 14.201 12.365 12.158 162 2HD2 LEU 14 2HD2 LEU 14 14.608 11.227 13.442 163 3HD2 LEU 14 3HD2 LEU 14 13.393 10.800 12.237 164 H LEU 15 HN LEU 15 18.453 13.652 10.190 165 HA LEU 15 HA LEU 15 17.520 14.757 7.808 166 1HB LEU 15 HB2 LEU 15 20.072 15.467 9.252 167 2HB LEU 15 HB1 LEU 15 19.197 16.487 8.126 168 HG LEU 15 HG LEU 15 17.902 15.527 10.660 169 1HD1 LEU 15 1HD1 LEU 15 19.923 17.688 10.302 170 2HD1 LEU 15 2HD1 LEU 15 19.689 16.572 11.648 171 3HD1 LEU 15 3HD1 LEU 15 18.588 17.934 11.429 172 1HD2 LEU 15 1HD2 LEU 15 16.358 16.466 9.144 173 2HD2 LEU 15 2HD2 LEU 15 17.450 17.787 8.727 174 3HD2 LEU 15 3HD2 LEU 15 16.701 17.731 10.323 175 H GLN 16 HN GLN 16 20.562 13.091 8.514 176 HA GLN 16 HA GLN 16 21.530 13.397 5.816 177 1HB GLN 16 HB2 GLN 16 22.546 12.166 8.330 178 2HB GLN 16 HB1 GLN 16 23.222 11.601 6.808 179 1HG GLN 16 HG2 GLN 16 23.837 13.904 6.239 180 2HG GLN 16 HG1 GLN 16 23.188 14.448 7.786 181 1HE2 GLN 16 1HE2 GLN 16 25.878 14.713 6.789 182 2HE2 GLN 16 2HE2 GLN 16 26.907 13.889 7.905 183 H GLU 17 HN GLU 17 19.565 11.146 7.510 184 HA GLU 17 HA GLU 17 20.088 8.750 6.227 185 1HB GLU 17 HB2 GLU 17 17.999 9.843 7.850 186 2HB GLU 17 HB1 GLU 17 17.272 8.950 6.521 187 1HG GLU 17 HG2 GLU 17 19.242 7.916 8.544 188 2HG GLU 17 HG1 GLU 17 17.541 7.482 8.386 189 H ARG 18 HN ARG 18 18.459 11.588 5.031 190 HA ARG 18 HA ARG 18 16.989 10.578 2.922 191 1HB ARG 18 HB2 ARG 18 18.567 13.151 3.069 192 2HB ARG 18 HB1 ARG 18 17.378 12.788 1.826 193 1HG ARG 18 HG2 ARG 18 15.928 12.332 4.067 194 2HG ARG 18 HG1 ARG 18 17.006 13.618 4.614 195 1HD ARG 18 HD2 ARG 18 15.942 14.157 1.974 196 2HD ARG 18 HD1 ARG 18 14.657 13.912 3.157 197 HE ARG 18 HE ARG 18 15.253 15.883 4.170 198 1HH1 ARG 18 1HH1 ARG 18 17.771 14.936 1.946 199 2HH1 ARG 18 2HH1 ARG 18 18.623 16.437 2.077 200 1HH2 ARG 18 1HH2 ARG 18 16.372 17.858 4.343 201 2HH2 ARG 18 2HH2 ARG 18 17.830 18.096 3.438 202 H GLU 19 HN GLU 19 20.444 10.972 3.212 203 HA GLU 19 HA GLU 19 21.167 10.813 0.512 204 1HB GLU 19 HB2 GLU 19 22.700 9.750 2.891 205 2HB GLU 19 HB1 GLU 19 23.368 10.131 1.310 206 1HG GLU 19 HG2 GLU 19 22.111 12.115 3.194 207 2HG GLU 19 HG1 GLU 19 23.842 11.863 2.974 208 H LEU 20 HN LEU 20 20.098 8.377 2.745 209 HA LEU 20 HA LEU 20 20.805 6.251 0.849 210 1HB LEU 20 HB2 LEU 20 19.763 6.004 3.672 211 2HB LEU 20 HB1 LEU 20 20.345 4.696 2.660 212 HG LEU 20 HG LEU 20 22.116 6.985 3.487 213 1HD1 LEU 20 1HD1 LEU 20 22.181 4.340 4.863 214 2HD1 LEU 20 2HD1 LEU 20 21.028 5.566 5.389 215 3HD1 LEU 20 3HD1 LEU 20 22.757 5.912 5.415 216 1HD2 LEU 20 1HD2 LEU 20 23.889 5.648 2.772 217 2HD2 LEU 20 2HD2 LEU 20 22.652 5.407 1.537 218 3HD2 LEU 20 3HD2 LEU 20 22.908 4.181 2.779 219 H VAL 21 HN VAL 21 18.057 7.080 2.973 220 HA VAL 21 HA VAL 21 16.213 5.549 1.413 221 HB VAL 21 HB VAL 21 14.481 6.719 2.846 222 1HG1 VAL 21 1HG1 VAL 21 14.879 5.321 4.688 223 2HG1 VAL 21 2HG1 VAL 21 16.629 5.413 4.489 224 3HG1 VAL 21 3HG1 VAL 21 15.655 4.508 3.329 225 1HG2 VAL 21 1HG2 VAL 21 15.012 8.346 4.301 226 2HG2 VAL 21 2HG2 VAL 21 16.432 8.562 3.278 227 3HG2 VAL 21 3HG2 VAL 21 16.541 7.588 4.744 228 H GLU 22 HN GLU 22 16.025 6.265 -0.654 229 HA GLU 22 HA GLU 22 14.416 8.556 -1.135 230 1HB GLU 22 HB2 GLU 22 17.322 8.855 -1.317 231 2HB GLU 22 HB1 GLU 22 16.482 9.325 -2.788 232 1HG GLU 22 HG2 GLU 22 15.310 10.350 -0.300 233 2HG GLU 22 HG1 GLU 22 16.919 10.958 -0.687 234 HA PRO 23 HA PRO 23 15.306 6.451 -5.312 235 1HB PRO 23 HB2 PRO 23 17.444 4.891 -5.683 236 2HB PRO 23 HB1 PRO 23 17.576 6.654 -5.704 237 1HG PRO 23 HG2 PRO 23 18.242 4.729 -3.510 238 2HG PRO 23 HG1 PRO 23 19.143 6.153 -4.060 239 1HD PRO 23 HD2 PRO 23 17.480 6.123 -1.870 240 2HD PRO 23 HD1 PRO 23 17.886 7.580 -2.794 241 H LEU 24 HN LEU 24 14.610 5.021 -2.576 242 HA LEU 24 HA LEU 24 13.765 2.556 -3.864 243 1HB LEU 24 HB2 LEU 24 14.528 1.221 -1.876 244 2HB LEU 24 HB1 LEU 24 15.804 1.796 -2.934 245 HG LEU 24 HG LEU 24 15.129 3.481 -0.581 246 1HD1 LEU 24 1HD1 LEU 24 15.156 1.488 0.611 247 2HD1 LEU 24 2HD1 LEU 24 16.829 2.037 0.704 248 3HD1 LEU 24 3HD1 LEU 24 16.381 0.765 -0.432 249 1HD2 LEU 24 1HD2 LEU 24 17.660 2.702 -2.019 250 2HD2 LEU 24 2HD2 LEU 24 17.605 3.741 -0.595 251 3HD2 LEU 24 3HD2 LEU 24 16.821 4.252 -2.090 252 H THR 25 HN THR 25 11.821 3.992 -3.611 253 HA THR 25 HA THR 25 10.576 3.487 -0.993 254 HB THR 25 HB THR 25 10.853 5.789 -0.890 255 HG1 THR 25 HG1 THR 25 8.821 6.113 -0.600 256 1HG2 THR 25 1HG2 THR 25 10.440 5.800 -3.844 257 2HG2 THR 25 2HG2 THR 25 11.753 6.491 -2.891 258 3HG2 THR 25 3HG2 THR 25 10.167 7.261 -2.895 259 HA PRO 26 HA PRO 26 7.265 1.432 -3.011 260 1HB PRO 26 HB2 PRO 26 5.406 3.151 -1.451 261 2HB PRO 26 HB1 PRO 26 5.495 1.390 -1.548 262 1HG PRO 26 HG2 PRO 26 6.372 2.681 0.611 263 2HG PRO 26 HG1 PRO 26 7.230 1.260 -0.016 264 1HD PRO 26 HD2 PRO 26 7.925 4.157 -0.255 265 2HD PRO 26 HD1 PRO 26 8.991 2.754 -0.033 266 H SER 27 HN SER 27 6.695 4.920 -2.573 267 HA SER 27 HA SER 27 4.858 5.228 -4.669 268 1HB SER 27 HB2 SER 27 5.465 7.645 -4.557 269 2HB SER 27 HB1 SER 27 5.115 6.946 -2.976 270 HG SER 27 HG SER 27 6.975 7.919 -2.578 271 H GLY 28 HN GLY 28 8.194 6.485 -4.716 272 1HA GLY 28 HA2 GLY 28 9.581 5.454 -6.602 273 2HA GLY 28 HA1 GLY 28 8.236 5.953 -7.616 274 H GLU 29 HN GLU 29 7.642 8.436 -6.686 275 HA GLU 29 HA GLU 29 10.058 9.927 -7.419 276 1HB GLU 29 HB2 GLU 29 7.191 10.881 -7.372 277 2HB GLU 29 HB1 GLU 29 8.572 11.744 -8.038 278 1HG GLU 29 HG2 GLU 29 8.295 9.112 -9.202 279 2HG GLU 29 HG1 GLU 29 6.832 10.076 -9.400 280 H ALA 30 HN ALA 30 7.513 9.748 -4.986 281 HA ALA 30 HA ALA 30 9.144 10.661 -2.899 282 1HB ALA 30 HB1 ALA 30 8.706 12.884 -2.634 283 2HB ALA 30 HB2 ALA 30 7.147 12.789 -3.454 284 3HB ALA 30 HB3 ALA 30 8.641 12.785 -4.393 285 HA PRO 31 HA PRO 31 5.999 8.772 -0.461 286 1HB PRO 31 HB2 PRO 31 6.342 11.082 1.394 287 2HB PRO 31 HB1 PRO 31 6.399 9.349 1.733 288 1HG PRO 31 HG2 PRO 31 8.639 10.781 1.619 289 2HG PRO 31 HG1 PRO 31 8.576 9.135 0.962 290 1HD PRO 31 HD2 PRO 31 8.569 11.751 -0.470 291 2HD PRO 31 HD1 PRO 31 9.304 10.207 -0.943 292 H ASN 32 HN ASN 32 5.808 12.283 -0.862 293 HA ASN 32 HA ASN 32 3.297 12.902 -0.093 294 1HB ASN 32 HB2 ASN 32 4.485 13.851 -2.698 295 2HB ASN 32 HB1 ASN 32 3.300 14.690 -1.701 296 1HD2 ASN 32 1HD2 ASN 32 4.270 14.534 0.776 297 2HD2 ASN 32 2HD2 ASN 32 5.811 15.306 0.892 298 H GLN 33 HN GLN 33 4.074 11.793 -3.398 299 HA GLN 33 HA GLN 33 1.451 11.621 -4.314 300 1HB GLN 33 HB2 GLN 33 3.467 9.630 -5.245 301 2HB GLN 33 HB1 GLN 33 2.239 10.491 -6.159 302 1HG GLN 33 HG2 GLN 33 3.595 12.591 -5.710 303 2HG GLN 33 HG1 GLN 33 4.881 11.512 -5.172 304 1HE2 GLN 33 1HE2 GLN 33 4.788 13.359 -7.437 305 2HE2 GLN 33 2HE2 GLN 33 5.107 12.406 -8.841 306 H ALA 34 HN ALA 34 3.125 9.561 -2.129 307 HA ALA 34 HA ALA 34 1.600 7.201 -2.512 308 1HB ALA 34 HB1 ALA 34 3.843 7.467 -1.274 309 2HB ALA 34 HB2 ALA 34 2.645 6.373 -0.584 310 3HB ALA 34 HB3 ALA 34 2.865 7.984 0.099 311 H LEU 35 HN LEU 35 1.517 9.745 -0.029 312 HA LEU 35 HA LEU 35 -1.000 8.915 1.018 313 1HB LEU 35 HB2 LEU 35 -0.152 11.735 1.346 314 2HB LEU 35 HB1 LEU 35 -0.759 10.604 2.541 315 HG LEU 35 HG LEU 35 1.661 9.513 2.013 316 1HD1 LEU 35 1HD1 LEU 35 3.254 11.005 1.411 317 2HD1 LEU 35 2HD1 LEU 35 2.409 12.369 2.142 318 3HD1 LEU 35 3HD1 LEU 35 1.886 11.745 0.577 319 1HD2 LEU 35 1HD2 LEU 35 1.436 11.764 3.978 320 2HD2 LEU 35 2HD2 LEU 35 2.274 10.221 4.144 321 3HD2 LEU 35 3HD2 LEU 35 0.511 10.279 4.195 322 H LEU 36 HN LEU 36 0.121 11.121 -1.438 323 HA LEU 36 HA LEU 36 -2.271 12.540 -1.830 324 1HB LEU 36 HB2 LEU 36 0.304 12.323 -3.156 325 2HB LEU 36 HB1 LEU 36 -1.009 12.562 -4.288 326 HG LEU 36 HG LEU 36 -1.195 14.375 -2.029 327 1HD1 LEU 36 1HD1 LEU 36 1.404 14.074 -3.403 328 2HD1 LEU 36 2HD1 LEU 36 1.033 14.676 -1.787 329 3HD1 LEU 36 3HD1 LEU 36 0.801 15.719 -3.190 330 1HD2 LEU 36 1HD2 LEU 36 -2.297 14.413 -4.359 331 2HD2 LEU 36 2HD2 LEU 36 -0.767 15.101 -4.904 332 3HD2 LEU 36 3HD2 LEU 36 -1.721 15.932 -3.675 333 H ARG 37 HN ARG 37 -0.930 9.724 -3.627 334 HA ARG 37 HA ARG 37 -3.131 9.432 -5.332 335 1HB ARG 37 HB2 ARG 37 -2.324 7.213 -5.805 336 2HB ARG 37 HB1 ARG 37 -0.940 8.286 -5.651 337 1HG ARG 37 HG2 ARG 37 -0.642 7.480 -3.329 338 2HG ARG 37 HG1 ARG 37 -1.942 6.322 -3.603 339 1HD ARG 37 HD2 ARG 37 -0.323 5.878 -5.756 340 2HD ARG 37 HD1 ARG 37 0.849 6.286 -4.503 341 HE ARG 37 HE ARG 37 0.355 4.316 -3.431 342 1HH1 ARG 37 1HH1 ARG 37 -2.028 4.905 -5.911 343 2HH1 ARG 37 2HH1 ARG 37 -2.731 3.328 -5.786 344 1HH2 ARG 37 1HH2 ARG 37 -0.569 2.241 -3.265 345 2HH2 ARG 37 2HH2 ARG 37 -1.902 1.816 -4.283 346 H ILE 38 HN ILE 38 -2.603 8.480 -2.053 347 HA ILE 38 HA ILE 38 -4.931 6.792 -1.961 348 HB ILE 38 HB ILE 38 -3.406 8.036 0.328 349 1HG1 ILE 38 2HG1 ILE 38 -3.110 5.211 -0.638 350 2HG1 ILE 38 1HG1 ILE 38 -2.209 6.508 -1.417 351 1HG2 ILE 38 1HG2 ILE 38 -4.383 6.245 1.666 352 2HG2 ILE 38 2HG2 ILE 38 -5.262 5.658 0.255 353 3HG2 ILE 38 3HG2 ILE 38 -5.644 7.239 0.936 354 1HD1 ILE 38 1HD1 ILE 38 -0.669 5.943 0.129 355 2HD1 ILE 38 2HD1 ILE 38 -1.866 5.280 1.241 356 3HD1 ILE 38 3HD1 ILE 38 -1.619 7.023 1.147 357 H LEU 39 HN LEU 39 -4.131 10.058 -0.797 358 HA LEU 39 HA LEU 39 -6.709 10.648 0.178 359 1HB LEU 39 HB2 LEU 39 -4.206 11.934 0.062 360 2HB LEU 39 HB1 LEU 39 -5.344 13.014 -0.718 361 HG LEU 39 HG LEU 39 -5.040 13.446 1.712 362 1HD1 LEU 39 1HD1 LEU 39 -7.343 13.825 2.168 363 2HD1 LEU 39 2HD1 LEU 39 -7.837 12.552 1.052 364 3HD1 LEU 39 3HD1 LEU 39 -7.111 14.036 0.433 365 1HD2 LEU 39 1HD2 LEU 39 -4.829 10.969 2.248 366 2HD2 LEU 39 2HD2 LEU 39 -6.589 10.912 2.164 367 3HD2 LEU 39 3HD2 LEU 39 -5.796 11.944 3.354 368 H LYS 40 HN LYS 40 -5.344 10.740 -3.041 369 HA LYS 40 HA LYS 40 -7.545 12.371 -4.033 370 1HB LYS 40 HB2 LYS 40 -6.421 12.338 -6.160 371 2HB LYS 40 HB1 LYS 40 -5.235 12.677 -4.908 372 1HG LYS 40 HG2 LYS 40 -4.716 10.195 -4.947 373 2HG LYS 40 HG1 LYS 40 -5.660 10.130 -6.431 374 1HD LYS 40 HD2 LYS 40 -3.259 10.342 -6.873 375 2HD LYS 40 HD1 LYS 40 -4.166 11.725 -7.487 376 1HE LYS 40 HE2 LYS 40 -3.450 12.466 -4.908 377 2HE LYS 40 HE1 LYS 40 -2.036 11.609 -5.516 378 1HZ LYS 40 HZ1 LYS 40 -3.169 14.147 -6.356 379 2HZ LYS 40 HZ2 LYS 40 -2.609 13.150 -7.603 380 3HZ LYS 40 HZ3 LYS 40 -1.561 13.622 -6.362 381 H GLU 41 HN GLU 41 -6.417 9.019 -4.135 382 HA GLU 41 HA GLU 41 -8.656 8.279 -5.854 383 1HB GLU 41 HB2 GLU 41 -7.623 6.231 -6.178 384 2HB GLU 41 HB1 GLU 41 -6.245 7.295 -5.938 385 1HG GLU 41 HG2 GLU 41 -6.443 6.571 -3.455 386 2HG GLU 41 HG1 GLU 41 -7.378 5.228 -4.109 387 H THR 42 HN THR 42 -8.295 8.869 -2.653 388 HA THR 42 HA THR 42 -10.558 7.126 -2.000 389 HB THR 42 HB THR 42 -8.065 7.541 -0.355 390 HG1 THR 42 HG1 THR 42 -9.259 5.289 -1.574 391 1HG2 THR 42 1HG2 THR 42 -9.426 7.383 1.422 392 2HG2 THR 42 2HG2 THR 42 -9.419 5.668 1.011 393 3HG2 THR 42 3HG2 THR 42 -10.750 6.696 0.482 394 H GLU 43 HN GLU 43 -9.631 10.185 -2.398 395 HA GLU 43 HA GLU 43 -10.103 11.714 -0.212 396 1HB GLU 43 HB2 GLU 43 -11.407 13.253 -1.907 397 2HB GLU 43 HB1 GLU 43 -9.679 12.998 -2.074 398 1HG GLU 43 HG2 GLU 43 -9.937 12.130 -4.093 399 2HG GLU 43 HG1 GLU 43 -11.129 10.972 -3.507 400 H PHE 44 HN PHE 44 -12.724 10.752 -2.443 401 HA PHE 44 HA PHE 44 -14.678 11.361 -0.387 402 1HB PHE 44 HB2 PHE 44 -14.686 11.628 -3.130 403 2HB PHE 44 HB1 PHE 44 -15.690 10.204 -2.877 404 HD1 PHE 44 HD1 PHE 44 -17.894 10.405 -2.116 405 HD2 PHE 44 HD2 PHE 44 -15.281 13.759 -1.926 406 HE1 PHE 44 HE1 PHE 44 -19.798 11.852 -1.536 407 HE2 PHE 44 HE2 PHE 44 -17.181 15.212 -1.347 408 HZ PHE 44 HZ PHE 44 -19.443 14.259 -1.150 409 H LYS 45 HN LYS 45 -13.078 8.605 -1.722 410 HA LYS 45 HA LYS 45 -15.011 6.637 -1.288 411 1HB LYS 45 HB2 LYS 45 -12.032 6.271 -0.983 412 2HB LYS 45 HB1 LYS 45 -13.217 5.042 -1.397 413 1HG LYS 45 HG2 LYS 45 -12.487 7.411 -3.107 414 2HG LYS 45 HG1 LYS 45 -11.919 5.757 -3.337 415 1HD LYS 45 HD2 LYS 45 -13.899 5.053 -4.193 416 2HD LYS 45 HD1 LYS 45 -14.848 6.136 -3.172 417 1HE LYS 45 HE2 LYS 45 -13.171 7.484 -5.167 418 2HE LYS 45 HE1 LYS 45 -14.444 6.469 -5.843 419 1HZ LYS 45 HZ1 LYS 45 -15.017 8.874 -5.360 420 2HZ LYS 45 HZ2 LYS 45 -14.993 8.456 -3.721 421 3HZ LYS 45 HZ3 LYS 45 -16.091 7.707 -4.768 422 H LYS 46 HN LYS 46 -12.418 7.750 0.895 423 HA LYS 46 HA LYS 46 -13.108 5.988 2.999 424 1HB LYS 46 HB2 LYS 46 -11.574 7.260 4.359 425 2HB LYS 46 HB1 LYS 46 -10.886 7.038 2.758 426 1HG LYS 46 HG2 LYS 46 -11.609 9.323 2.167 427 2HG LYS 46 HG1 LYS 46 -12.195 9.533 3.818 428 1HD LYS 46 HD2 LYS 46 -10.021 9.410 4.715 429 2HD LYS 46 HD1 LYS 46 -9.353 8.757 3.218 430 1HE LYS 46 HE2 LYS 46 -8.694 11.046 3.374 431 2HE LYS 46 HE1 LYS 46 -9.917 10.922 2.111 432 1HZ LYS 46 HZ1 LYS 46 -10.781 12.663 3.225 433 2HZ LYS 46 HZ2 LYS 46 -10.041 12.258 4.692 434 3HZ LYS 46 HZ3 LYS 46 -11.450 11.457 4.206 435 H ILE 47 HN ILE 47 -13.884 9.419 2.460 436 HA ILE 47 HA ILE 47 -15.180 9.834 4.905 437 HB ILE 47 HB ILE 47 -16.340 11.742 3.779 438 1HG1 ILE 47 2HG1 ILE 47 -15.042 12.120 1.431 439 2HG1 ILE 47 1HG1 ILE 47 -15.226 10.371 1.410 440 1HG2 ILE 47 1HG2 ILE 47 -14.442 12.537 4.703 441 2HG2 ILE 47 2HG2 ILE 47 -13.963 12.730 3.017 442 3HG2 ILE 47 3HG2 ILE 47 -13.426 11.320 3.931 443 1HD1 ILE 47 1HD1 ILE 47 -17.141 12.391 0.815 444 2HD1 ILE 47 2HD1 ILE 47 -17.710 11.436 2.184 445 3HD1 ILE 47 3HD1 ILE 47 -17.289 10.640 0.668 446 H LYS 48 HN LYS 48 -16.623 9.045 1.724 447 HA LYS 48 HA LYS 48 -19.271 8.973 2.487 448 1HB LYS 48 HB2 LYS 48 -19.677 7.532 0.600 449 2HB LYS 48 HB1 LYS 48 -18.434 8.693 0.157 450 1HG LYS 48 HG2 LYS 48 -16.733 7.071 0.273 451 2HG LYS 48 HG1 LYS 48 -17.777 5.926 1.115 452 1HD LYS 48 HD2 LYS 48 -19.209 5.843 -0.926 453 2HD LYS 48 HD1 LYS 48 -18.006 6.838 -1.749 454 1HE LYS 48 HE2 LYS 48 -17.096 4.880 -2.353 455 2HE LYS 48 HE1 LYS 48 -16.460 4.850 -0.709 456 1HZ LYS 48 HZ1 LYS 48 -17.496 2.868 -0.672 457 2HZ LYS 48 HZ2 LYS 48 -18.582 3.270 -1.906 458 3HZ LYS 48 HZ3 LYS 48 -18.868 3.795 -0.324 459 H VAL 49 HN VAL 49 -16.754 6.596 3.005 460 HA VAL 49 HA VAL 49 -18.572 4.615 4.067 461 HB VAL 49 HB VAL 49 -15.550 4.697 4.081 462 1HG1 VAL 49 1HG1 VAL 49 -16.144 2.091 4.295 463 2HG1 VAL 49 2HG1 VAL 49 -17.515 2.774 5.168 464 3HG1 VAL 49 3HG1 VAL 49 -15.870 3.135 5.690 465 1HG2 VAL 49 1HG2 VAL 49 -15.627 4.045 1.961 466 2HG2 VAL 49 2HG2 VAL 49 -17.383 4.218 1.977 467 3HG2 VAL 49 3HG2 VAL 49 -16.644 2.673 2.398 468 H LEU 50 HN LEU 50 -16.483 7.129 5.307 469 HA LEU 50 HA LEU 50 -16.611 6.199 8.031 470 1HB LEU 50 HB2 LEU 50 -15.604 8.760 6.802 471 2HB LEU 50 HB1 LEU 50 -15.537 8.420 8.520 472 HG LEU 50 HG LEU 50 -14.272 6.541 6.556 473 1HD1 LEU 50 1HD1 LEU 50 -13.394 8.753 6.024 474 2HD1 LEU 50 2HD1 LEU 50 -12.169 7.753 6.806 475 3HD1 LEU 50 3HD1 LEU 50 -12.997 9.012 7.723 476 1HD2 LEU 50 1HD2 LEU 50 -12.706 6.561 8.726 477 2HD2 LEU 50 2HD2 LEU 50 -14.114 5.511 8.565 478 3HD2 LEU 50 3HD2 LEU 50 -14.237 7.019 9.472 479 H GLY 51 HN GLY 51 -18.368 8.433 6.009 480 1HA GLY 51 HA2 GLY 51 -19.883 9.404 8.332 481 2HA GLY 51 HA1 GLY 51 -19.889 10.127 6.729 482 H SER 52 HN SER 52 -20.207 6.686 7.241 483 HA SER 52 HA SER 52 -22.482 6.425 5.653 484 1HB SER 52 HB2 SER 52 -20.901 4.580 6.287 485 2HB SER 52 HB1 SER 52 -21.661 4.547 7.878 486 HG SER 52 HG SER 52 -22.659 3.017 6.601 487 H GLY 53 HN GLY 53 -22.149 7.138 9.054 488 1HA GLY 53 HA2 GLY 53 -25.058 6.894 9.418 489 2HA GLY 53 HA1 GLY 53 -23.872 6.988 10.711 Start of MODEL 23 1 1H ARG 1 HT1 ARG 1 -17.545 30.148 4.747 2 2H ARG 1 HT2 ARG 1 -17.262 29.821 6.408 3 3H ARG 1 HT3 ARG 1 -16.765 28.694 5.214 4 HA ARG 1 HA ARG 1 -15.084 30.028 4.460 5 1HB ARG 1 HB2 ARG 1 -16.777 32.053 4.747 6 2HB ARG 1 HB1 ARG 1 -15.857 32.312 6.222 7 1HG ARG 1 HG2 ARG 1 -13.788 32.198 4.690 8 2HG ARG 1 HG1 ARG 1 -14.940 32.463 3.380 9 1HD ARG 1 HD2 ARG 1 -15.697 34.371 5.170 10 2HD ARG 1 HD1 ARG 1 -13.955 34.310 5.436 11 HE ARG 1 HE ARG 1 -14.568 34.436 2.665 12 1HH1 ARG 1 1HH1 ARG 1 -14.387 36.388 5.553 13 2HH1 ARG 1 2HH1 ARG 1 -14.077 37.857 4.692 14 1HH2 ARG 1 1HH2 ARG 1 -14.159 36.368 1.530 15 2HH2 ARG 1 2HH2 ARG 1 -13.947 37.846 2.408 16 H ARG 2 HN ARG 2 -15.653 28.320 6.825 17 HA ARG 2 HA ARG 2 -13.179 28.835 8.220 18 1HB ARG 2 HB2 ARG 2 -15.205 30.122 9.333 19 2HB ARG 2 HB1 ARG 2 -15.550 28.537 10.012 20 1HG ARG 2 HG2 ARG 2 -13.306 28.468 10.983 21 2HG ARG 2 HG1 ARG 2 -12.971 30.064 10.311 22 1HD ARG 2 HD2 ARG 2 -15.163 29.425 12.281 23 2HD ARG 2 HD1 ARG 2 -13.609 30.149 12.689 24 HE ARG 2 HE ARG 2 -15.098 31.597 10.693 25 1HH1 ARG 2 1HH1 ARG 2 -14.539 31.167 14.112 26 2HH1 ARG 2 2HH1 ARG 2 -15.096 32.753 14.529 27 1HH2 ARG 2 1HH2 ARG 2 -15.832 33.683 11.241 28 2HH2 ARG 2 2HH2 ARG 2 -15.830 34.180 12.901 29 H ARG 3 HN ARG 3 -14.512 26.738 6.554 30 HA ARG 3 HA ARG 3 -13.656 24.485 8.120 31 1HB ARG 3 HB2 ARG 3 -16.359 25.188 8.281 32 2HB ARG 3 HB1 ARG 3 -16.310 23.839 7.155 33 1HG ARG 3 HG2 ARG 3 -14.685 23.422 9.541 34 2HG ARG 3 HG1 ARG 3 -16.403 23.643 9.878 35 1HD ARG 3 HD2 ARG 3 -17.014 21.763 8.687 36 2HD ARG 3 HD1 ARG 3 -15.561 21.795 7.690 37 HE ARG 3 HE ARG 3 -15.886 20.514 10.241 38 1HH1 ARG 3 1HH1 ARG 3 -13.583 21.913 8.022 39 2HH1 ARG 3 2HH1 ARG 3 -12.246 21.005 8.642 40 1HH2 ARG 3 1HH2 ARG 3 -14.128 19.318 11.057 41 2HH2 ARG 3 2HH2 ARG 3 -12.555 19.531 10.364 42 H HIS 4 HN HIS 4 -13.171 25.870 5.492 43 HA HIS 4 HA HIS 4 -12.825 25.381 3.286 44 1HB HIS 4 HB2 HIS 4 -12.307 22.652 4.487 45 2HB HIS 4 HB1 HIS 4 -11.766 23.190 2.900 46 HD1 HIS 4 HD1 HIS 4 -9.817 24.913 2.833 47 HD2 HIS 4 HD2 HIS 4 -10.797 23.566 6.640 48 HE1 HIS 4 HE1 HIS 4 -7.907 25.620 4.309 49 HE2 HIS 4 HE2 HIS 4 -8.563 24.870 6.623 50 H ILE 5 HN ILE 5 -15.584 25.101 4.202 51 HA ILE 5 HA ILE 5 -17.604 24.392 3.446 52 HB ILE 5 HB ILE 5 -16.032 23.687 0.961 53 1HG1 ILE 5 2HG1 ILE 5 -17.759 26.060 0.958 54 2HG1 ILE 5 1HG1 ILE 5 -16.409 26.168 2.083 55 1HG2 ILE 5 1HG2 ILE 5 -18.922 23.605 1.611 56 2HG2 ILE 5 2HG2 ILE 5 -17.976 22.599 0.513 57 3HG2 ILE 5 3HG2 ILE 5 -18.464 24.222 0.022 58 1HD1 ILE 5 1HD1 ILE 5 -16.057 27.061 -0.266 59 2HD1 ILE 5 2HD1 ILE 5 -16.021 25.373 -0.779 60 3HD1 ILE 5 3HD1 ILE 5 -14.828 25.969 0.375 61 H VAL 6 HN VAL 6 -15.912 21.940 1.544 62 HA VAL 6 HA VAL 6 -15.896 19.822 3.322 63 HB VAL 6 HB VAL 6 -18.330 20.111 3.492 64 1HG1 VAL 6 1HG1 VAL 6 -18.116 20.218 0.576 65 2HG1 VAL 6 2HG1 VAL 6 -19.338 20.895 1.652 66 3HG1 VAL 6 3HG1 VAL 6 -19.428 19.201 1.169 67 1HG2 VAL 6 1HG2 VAL 6 -18.155 17.923 3.899 68 2HG2 VAL 6 2HG2 VAL 6 -17.009 17.684 2.581 69 3HG2 VAL 6 3HG2 VAL 6 -18.742 17.684 2.253 70 H ARG 7 HN ARG 7 -14.158 20.467 1.433 71 HA ARG 7 HA ARG 7 -13.990 18.130 -0.163 72 1HB ARG 7 HB2 ARG 7 -15.367 20.368 -1.320 73 2HB ARG 7 HB1 ARG 7 -13.869 20.096 -2.196 74 1HG ARG 7 HG2 ARG 7 -14.954 18.541 -3.347 75 2HG ARG 7 HG1 ARG 7 -14.923 17.556 -1.883 76 1HD ARG 7 HD2 ARG 7 -17.056 19.350 -1.560 77 2HD ARG 7 HD1 ARG 7 -17.160 18.770 -3.222 78 HE ARG 7 HE ARG 7 -16.755 16.670 -1.313 79 1HH1 ARG 7 1HH1 ARG 7 -19.147 18.686 -2.857 80 2HH1 ARG 7 2HH1 ARG 7 -20.438 17.559 -2.610 81 1HH2 ARG 7 1HH2 ARG 7 -18.451 15.186 -0.987 82 2HH2 ARG 7 2HH2 ARG 7 -20.044 15.572 -1.548 83 H LYS 8 HN LYS 8 -11.900 17.695 -0.450 84 HA LYS 8 HA LYS 8 -9.873 19.340 0.520 85 1HB LYS 8 HB2 LYS 8 -8.328 17.762 -0.685 86 2HB LYS 8 HB1 LYS 8 -9.481 16.999 0.400 87 1HG LYS 8 HG2 LYS 8 -10.496 17.231 -2.310 88 2HG LYS 8 HG1 LYS 8 -8.995 16.309 -2.221 89 1HD LYS 8 HD2 LYS 8 -9.924 14.716 -0.783 90 2HD LYS 8 HD1 LYS 8 -11.269 15.769 -0.340 91 1HE LYS 8 HE2 LYS 8 -12.369 14.417 -1.795 92 2HE LYS 8 HE1 LYS 8 -11.744 15.591 -2.953 93 1HZ LYS 8 HZ1 LYS 8 -11.262 13.470 -3.816 94 2HZ LYS 8 HZ2 LYS 8 -10.670 12.900 -2.339 95 3HZ LYS 8 HZ3 LYS 8 -9.793 14.054 -3.211 96 H ARG 9 HN ARG 9 -11.308 19.167 -2.666 97 HA ARG 9 HA ARG 9 -9.288 20.303 -4.192 98 1HB ARG 9 HB2 ARG 9 -11.130 21.065 -5.700 99 2HB ARG 9 HB1 ARG 9 -11.199 19.362 -5.269 100 1HG ARG 9 HG2 ARG 9 -13.061 19.635 -3.937 101 2HG ARG 9 HG1 ARG 9 -12.761 21.358 -3.692 102 1HD ARG 9 HD2 ARG 9 -13.453 21.868 -5.917 103 2HD ARG 9 HD1 ARG 9 -13.507 20.162 -6.353 104 HE ARG 9 HE ARG 9 -15.571 19.993 -5.356 105 1HH1 ARG 9 1HH1 ARG 9 -14.113 23.044 -4.485 106 2HH1 ARG 9 2HH1 ARG 9 -15.559 23.673 -3.772 107 1HH2 ARG 9 1HH2 ARG 9 -17.473 20.821 -4.416 108 2HH2 ARG 9 2HH2 ARG 9 -17.465 22.411 -3.731 109 H THR 10 HN THR 10 -11.208 21.778 -1.748 110 HA THR 10 HA THR 10 -10.760 24.468 -2.732 111 HB THR 10 HB THR 10 -12.845 23.508 -1.426 112 HG1 THR 10 HG1 THR 10 -11.817 26.042 -0.703 113 1HG2 THR 10 1HG2 THR 10 -11.126 24.472 0.847 114 2HG2 THR 10 2HG2 THR 10 -11.628 22.805 0.574 115 3HG2 THR 10 3HG2 THR 10 -12.835 24.039 0.933 116 H LEU 11 HN LEU 11 -9.814 22.415 -0.007 117 HA LEU 11 HA LEU 11 -8.116 24.343 1.191 118 1HB LEU 11 HB2 LEU 11 -7.302 22.541 2.580 119 2HB LEU 11 HB1 LEU 11 -9.048 22.456 2.446 120 HG LEU 11 HG LEU 11 -8.598 20.720 0.583 121 1HD1 LEU 11 1HD1 LEU 11 -5.910 21.133 1.733 122 2HD1 LEU 11 2HD1 LEU 11 -6.389 20.628 0.111 123 3HD1 LEU 11 3HD1 LEU 11 -6.401 19.464 1.437 124 1HD2 LEU 11 1HD2 LEU 11 -8.639 18.943 2.183 125 2HD2 LEU 11 2HD2 LEU 11 -9.567 20.292 2.837 126 3HD2 LEU 11 3HD2 LEU 11 -7.934 19.978 3.424 127 H ARG 12 HN ARG 12 -7.795 22.675 -1.690 128 HA ARG 12 HA ARG 12 -5.042 22.047 -1.653 129 1HB ARG 12 HB2 ARG 12 -7.159 21.884 -3.514 130 2HB ARG 12 HB1 ARG 12 -5.923 22.875 -4.276 131 1HG ARG 12 HG2 ARG 12 -4.692 21.093 -4.730 132 2HG ARG 12 HG1 ARG 12 -4.715 20.586 -3.039 133 1HD ARG 12 HD2 ARG 12 -6.348 19.075 -3.385 134 2HD ARG 12 HD1 ARG 12 -7.220 20.124 -4.502 135 HE ARG 12 HE ARG 12 -5.303 18.091 -5.169 136 1HH1 ARG 12 1HH1 ARG 12 -6.804 21.058 -6.229 137 2HH1 ARG 12 2HH1 ARG 12 -6.502 20.757 -7.908 138 1HH2 ARG 12 1HH2 ARG 12 -4.907 17.693 -7.377 139 2HH2 ARG 12 2HH2 ARG 12 -5.426 18.847 -8.560 140 H ARG 13 HN ARG 13 -6.886 24.923 -2.132 141 HA ARG 13 HA ARG 13 -4.923 26.567 -3.286 142 1HB ARG 13 HB2 ARG 13 -6.531 28.160 -3.188 143 2HB ARG 13 HB1 ARG 13 -7.569 26.812 -2.743 144 1HG ARG 13 HG2 ARG 13 -7.384 27.362 -0.415 145 2HG ARG 13 HG1 ARG 13 -6.184 28.610 -0.759 146 1HD ARG 13 HD2 ARG 13 -7.749 30.111 -1.278 147 2HD ARG 13 HD1 ARG 13 -8.624 28.968 -2.292 148 HE ARG 13 HE ARG 13 -8.985 29.328 0.604 149 1HH1 ARG 13 1HH1 ARG 13 -10.121 28.071 -2.458 150 2HH1 ARG 13 2HH1 ARG 13 -11.684 27.657 -1.841 151 1HH2 ARG 13 1HH2 ARG 13 -11.037 28.775 1.404 152 2HH2 ARG 13 2HH2 ARG 13 -12.203 28.052 0.345 153 H LEU 14 HN LEU 14 -5.576 25.588 0.014 154 HA LEU 14 HA LEU 14 -3.958 27.561 1.271 155 1HB LEU 14 HB2 LEU 14 -5.292 25.036 2.096 156 2HB LEU 14 HB1 LEU 14 -4.008 25.649 3.120 157 HG LEU 14 HG LEU 14 -6.098 26.431 3.984 158 1HD1 LEU 14 1HD1 LEU 14 -3.994 28.057 3.420 159 2HD1 LEU 14 2HD1 LEU 14 -5.389 28.515 4.397 160 3HD1 LEU 14 3HD1 LEU 14 -5.331 28.943 2.687 161 1HD2 LEU 14 1HD2 LEU 14 -7.268 26.187 1.733 162 2HD2 LEU 14 2HD2 LEU 14 -6.675 27.810 1.380 163 3HD2 LEU 14 3HD2 LEU 14 -7.754 27.543 2.749 164 H LEU 15 HN LEU 15 -3.392 24.117 0.493 165 HA LEU 15 HA LEU 15 -0.738 24.105 1.463 166 1HB LEU 15 HB2 LEU 15 -0.522 22.016 0.034 167 2HB LEU 15 HB1 LEU 15 -1.734 22.001 1.299 168 HG LEU 15 HG LEU 15 -3.140 22.887 -0.916 169 1HD1 LEU 15 1HD1 LEU 15 -1.090 22.214 -2.243 170 2HD1 LEU 15 2HD1 LEU 15 -2.623 21.505 -2.748 171 3HD1 LEU 15 3HD1 LEU 15 -1.479 20.550 -1.805 172 1HD2 LEU 15 1HD2 LEU 15 -3.999 20.485 -0.897 173 2HD2 LEU 15 2HD2 LEU 15 -4.135 21.407 0.600 174 3HD2 LEU 15 3HD2 LEU 15 -2.850 20.214 0.413 175 H GLN 16 HN GLN 16 -1.937 24.117 -1.910 176 HA GLN 16 HA GLN 16 0.501 24.428 -3.177 177 1HB GLN 16 HB2 GLN 16 -2.180 25.564 -3.995 178 2HB GLN 16 HB1 GLN 16 -0.784 25.408 -5.051 179 1HG GLN 16 HG2 GLN 16 -0.849 22.950 -4.660 180 2HG GLN 16 HG1 GLN 16 -2.358 23.185 -3.779 181 1HE2 GLN 16 1HE2 GLN 16 -3.954 24.620 -5.088 182 2HE2 GLN 16 2HE2 GLN 16 -4.180 24.136 -6.732 183 H GLU 17 HN GLU 17 -1.483 26.809 -1.558 184 HA GLU 17 HA GLU 17 -0.492 29.181 -2.548 185 1HB GLU 17 HB2 GLU 17 -1.835 28.310 -0.122 186 2HB GLU 17 HB1 GLU 17 -0.733 29.644 0.191 187 1HG GLU 17 HG2 GLU 17 -1.836 31.017 -1.430 188 2HG GLU 17 HG1 GLU 17 -2.845 29.668 -1.951 189 H ARG 18 HN ARG 18 0.996 26.961 -0.275 190 HA ARG 18 HA ARG 18 3.095 28.664 0.565 191 1HB ARG 18 HB2 ARG 18 3.172 25.649 0.442 192 2HB ARG 18 HB1 ARG 18 4.106 26.699 1.500 193 1HG ARG 18 HG2 ARG 18 1.186 26.964 1.722 194 2HG ARG 18 HG1 ARG 18 1.855 25.414 2.235 195 1HD ARG 18 HD2 ARG 18 3.505 26.723 3.624 196 2HD ARG 18 HD1 ARG 18 2.549 28.158 3.260 197 HE ARG 18 HE ARG 18 1.886 26.050 5.098 198 1HH1 ARG 18 1HH1 ARG 18 0.607 28.601 3.089 199 2HH1 ARG 18 2HH1 ARG 18 -0.844 28.776 4.018 200 1HH2 ARG 18 1HH2 ARG 18 -0.022 26.279 6.322 201 2HH2 ARG 18 2HH2 ARG 18 -1.201 27.458 5.853 202 H GLU 19 HN GLU 19 2.576 26.798 -2.294 203 HA GLU 19 HA GLU 19 3.766 26.568 -4.217 204 1HB GLU 19 HB2 GLU 19 5.573 28.697 -3.059 205 2HB GLU 19 HB1 GLU 19 5.487 28.209 -4.746 206 1HG GLU 19 HG2 GLU 19 2.883 28.953 -3.824 207 2HG GLU 19 HG1 GLU 19 4.038 30.231 -3.453 208 H LEU 20 HN LEU 20 4.354 24.938 -1.900 209 HA LEU 20 HA LEU 20 7.000 24.006 -2.723 210 1HB LEU 20 HB2 LEU 20 6.182 24.459 0.147 211 2HB LEU 20 HB1 LEU 20 7.635 23.620 -0.358 212 HG LEU 20 HG LEU 20 7.289 26.358 -1.421 213 1HD1 LEU 20 1HD1 LEU 20 6.525 26.383 1.017 214 2HD1 LEU 20 2HD1 LEU 20 7.809 27.498 0.552 215 3HD1 LEU 20 3HD1 LEU 20 8.202 26.012 1.415 216 1HD2 LEU 20 1HD2 LEU 20 9.648 26.438 -1.177 217 2HD2 LEU 20 2HD2 LEU 20 9.255 24.842 -1.816 218 3HD2 LEU 20 3HD2 LEU 20 9.651 25.034 -0.108 219 H VAL 21 HN VAL 21 4.270 23.085 -3.199 220 HA VAL 21 HA VAL 21 3.983 20.698 -1.577 221 HB VAL 21 HB VAL 21 2.016 20.264 -3.107 222 1HG1 VAL 21 1HG1 VAL 21 1.208 21.105 -1.179 223 2HG1 VAL 21 2HG1 VAL 21 0.885 22.527 -2.172 224 3HG1 VAL 21 3HG1 VAL 21 2.337 22.460 -1.173 225 1HG2 VAL 21 1HG2 VAL 21 2.935 21.699 -4.962 226 2HG2 VAL 21 2HG2 VAL 21 2.463 23.102 -4.001 227 3HG2 VAL 21 3HG2 VAL 21 1.238 21.965 -4.564 228 H GLU 22 HN GLU 22 4.906 21.584 -4.858 229 HA GLU 22 HA GLU 22 5.968 20.440 -6.509 230 1HB GLU 22 HB2 GLU 22 6.546 18.448 -4.307 231 2HB GLU 22 HB1 GLU 22 7.304 18.456 -5.892 232 1HG GLU 22 HG2 GLU 22 8.031 20.850 -5.293 233 2HG GLU 22 HG1 GLU 22 7.637 20.390 -3.638 234 HA PRO 23 HA PRO 23 1.984 18.123 -7.132 235 1HB PRO 23 HB2 PRO 23 2.847 18.901 -9.882 236 2HB PRO 23 HB1 PRO 23 1.235 18.933 -9.158 237 1HG PRO 23 HG2 PRO 23 2.625 21.181 -9.464 238 2HG PRO 23 HG1 PRO 23 1.642 20.909 -8.012 239 1HD PRO 23 HD2 PRO 23 4.600 20.790 -8.350 240 2HD PRO 23 HD1 PRO 23 3.641 21.296 -6.945 241 H LEU 24 HN LEU 24 4.844 17.983 -9.267 242 HA LEU 24 HA LEU 24 4.401 15.311 -10.085 243 1HB LEU 24 HB2 LEU 24 6.608 15.411 -11.051 244 2HB LEU 24 HB1 LEU 24 5.765 16.917 -11.360 245 HG LEU 24 HG LEU 24 7.542 16.807 -8.978 246 1HD1 LEU 24 1HD1 LEU 24 8.466 16.656 -11.815 247 2HD1 LEU 24 2HD1 LEU 24 9.102 15.848 -10.382 248 3HD1 LEU 24 3HD1 LEU 24 9.395 17.569 -10.627 249 1HD2 LEU 24 1HD2 LEU 24 6.689 18.900 -9.115 250 2HD2 LEU 24 2HD2 LEU 24 6.437 18.803 -10.857 251 3HD2 LEU 24 3HD2 LEU 24 8.048 19.122 -10.216 252 H THR 25 HN THR 25 6.082 16.764 -7.397 253 HA THR 25 HA THR 25 7.187 15.903 -5.602 254 HB THR 25 HB THR 25 5.872 13.299 -5.628 255 HG1 THR 25 HG1 THR 25 4.083 13.982 -6.480 256 1HG2 THR 25 1HG2 THR 25 6.779 14.774 -3.667 257 2HG2 THR 25 2HG2 THR 25 5.358 13.752 -3.455 258 3HG2 THR 25 3HG2 THR 25 5.165 15.482 -3.745 259 HA PRO 26 HA PRO 26 10.097 13.226 -7.882 260 1HB PRO 26 HB2 PRO 26 12.313 14.631 -7.432 261 2HB PRO 26 HB1 PRO 26 11.116 15.180 -8.612 262 1HG PRO 26 HG2 PRO 26 11.609 16.135 -5.825 263 2HG PRO 26 HG1 PRO 26 11.202 17.069 -7.275 264 1HD PRO 26 HD2 PRO 26 9.400 16.278 -5.301 265 2HD PRO 26 HD1 PRO 26 8.969 16.792 -6.944 266 H SER 27 HN SER 27 9.262 13.367 -4.827 267 HA SER 27 HA SER 27 11.485 12.802 -3.256 268 1HB SER 27 HB2 SER 27 9.900 11.703 -1.713 269 2HB SER 27 HB1 SER 27 9.270 13.240 -2.306 270 HG SER 27 HG SER 27 8.119 10.884 -2.442 271 H GLY 28 HN GLY 28 9.168 10.215 -3.988 272 1HA GLY 28 HA2 GLY 28 9.706 8.226 -5.210 273 2HA GLY 28 HA1 GLY 28 11.405 8.529 -4.881 274 H GLU 29 HN GLU 29 10.399 9.204 -2.008 275 HA GLU 29 HA GLU 29 11.202 6.877 -0.757 276 1HB GLU 29 HB2 GLU 29 10.983 9.089 0.343 277 2HB GLU 29 HB1 GLU 29 9.235 8.903 0.324 278 1HG GLU 29 HG2 GLU 29 9.522 6.837 1.697 279 2HG GLU 29 HG1 GLU 29 11.233 7.241 1.836 280 H ALA 30 HN ALA 30 8.049 7.786 -1.945 281 HA ALA 30 HA ALA 30 6.549 6.073 -2.714 282 1HB ALA 30 HB1 ALA 30 7.881 4.252 -1.662 283 2HB ALA 30 HB2 ALA 30 6.136 4.069 -1.492 284 3HB ALA 30 HB3 ALA 30 7.098 4.634 -0.130 285 HA PRO 31 HA PRO 31 3.939 6.982 1.384 286 1HB PRO 31 HB2 PRO 31 5.723 9.148 2.385 287 2HB PRO 31 HB1 PRO 31 4.746 7.987 3.291 288 1HG PRO 31 HG2 PRO 31 7.383 7.689 3.119 289 2HG PRO 31 HG1 PRO 31 6.302 6.284 3.044 290 1HD PRO 31 HD2 PRO 31 7.773 7.667 0.844 291 2HD PRO 31 HD1 PRO 31 7.432 5.940 1.064 292 H ASN 32 HN ASN 32 5.916 9.756 0.349 293 HA ASN 32 HA ASN 32 4.101 11.742 0.209 294 1HB ASN 32 HB2 ASN 32 6.239 11.132 -1.836 295 2HB ASN 32 HB1 ASN 32 5.393 12.670 -1.711 296 1HD2 ASN 32 1HD2 ASN 32 7.889 10.691 -0.478 297 2HD2 ASN 32 2HD2 ASN 32 8.469 11.781 0.730 298 H GLN 33 HN GLN 33 4.840 9.855 -2.743 299 HA GLN 33 HA GLN 33 2.581 10.732 -4.150 300 1HB GLN 33 HB2 GLN 33 3.800 8.042 -4.647 301 2HB GLN 33 HB1 GLN 33 3.124 9.183 -5.799 302 1HG GLN 33 HG2 GLN 33 5.066 10.709 -5.174 303 2HG GLN 33 HG1 GLN 33 5.775 9.287 -4.409 304 1HE2 GLN 33 1HE2 GLN 33 5.218 10.950 -7.322 305 2HE2 GLN 33 2HE2 GLN 33 5.936 9.800 -8.392 306 H ALA 34 HN ALA 34 2.866 8.439 -1.625 307 HA ALA 34 HA ALA 34 0.620 6.817 -2.270 308 1HB ALA 34 HB1 ALA 34 1.149 5.683 -0.400 309 2HB ALA 34 HB2 ALA 34 1.216 7.146 0.583 310 3HB ALA 34 HB3 ALA 34 2.607 6.676 -0.395 311 H LEU 35 HN LEU 35 1.085 9.433 0.100 312 HA LEU 35 HA LEU 35 -1.699 9.727 0.616 313 1HB LEU 35 HB2 LEU 35 0.023 12.072 1.089 314 2HB LEU 35 HB1 LEU 35 -1.125 11.288 2.156 315 HG LEU 35 HG LEU 35 0.869 9.427 2.020 316 1HD1 LEU 35 1HD1 LEU 35 2.309 12.034 2.312 317 2HD1 LEU 35 2HD1 LEU 35 2.132 11.269 0.733 318 3HD1 LEU 35 3HD1 LEU 35 2.967 10.421 2.036 319 1HD2 LEU 35 1HD2 LEU 35 0.618 11.706 3.984 320 2HD2 LEU 35 2HD2 LEU 35 1.461 10.183 4.266 321 3HD2 LEU 35 3HD2 LEU 35 -0.287 10.193 4.035 322 H LEU 36 HN LEU 36 0.494 10.917 -1.767 323 HA LEU 36 HA LEU 36 -0.839 13.237 -2.572 324 1HB LEU 36 HB2 LEU 36 1.401 11.781 -3.400 325 2HB LEU 36 HB1 LEU 36 0.363 11.869 -4.810 326 HG LEU 36 HG LEU 36 0.696 14.425 -3.402 327 1HD1 LEU 36 1HD1 LEU 36 2.942 14.843 -4.124 328 2HD1 LEU 36 2HD1 LEU 36 3.050 13.248 -4.867 329 3HD1 LEU 36 3HD1 LEU 36 2.939 13.398 -3.113 330 1HD2 LEU 36 1HD2 LEU 36 1.409 14.062 -6.241 331 2HD2 LEU 36 2HD2 LEU 36 0.392 15.279 -5.469 332 3HD2 LEU 36 3HD2 LEU 36 -0.254 13.672 -5.801 333 H ARG 37 HN ARG 37 -1.195 9.855 -3.666 334 HA ARG 37 HA ARG 37 -3.566 10.682 -5.184 335 1HB ARG 37 HB2 ARG 37 -3.314 8.620 -6.425 336 2HB ARG 37 HB1 ARG 37 -1.780 9.474 -6.404 337 1HG ARG 37 HG2 ARG 37 -0.746 7.875 -5.195 338 2HG ARG 37 HG1 ARG 37 -2.193 7.488 -4.263 339 1HD ARG 37 HD2 ARG 37 -2.287 6.824 -7.136 340 2HD ARG 37 HD1 ARG 37 -1.157 5.883 -6.164 341 HE ARG 37 HE ARG 37 -3.786 6.074 -5.018 342 1HH1 ARG 37 1HH1 ARG 37 -1.757 4.309 -7.243 343 2HH1 ARG 37 2HH1 ARG 37 -2.692 2.854 -7.137 344 1HH2 ARG 37 1HH2 ARG 37 -5.016 4.162 -4.877 345 2HH2 ARG 37 2HH2 ARG 37 -4.541 2.771 -5.795 346 H ILE 38 HN ILE 38 -2.764 9.249 -2.223 347 HA ILE 38 HA ILE 38 -4.922 7.368 -2.123 348 HB ILE 38 HB ILE 38 -2.995 8.472 -0.117 349 1HG1 ILE 38 2HG1 ILE 38 -3.763 5.611 -0.633 350 2HG1 ILE 38 1HG1 ILE 38 -2.630 6.461 -1.679 351 1HG2 ILE 38 1HG2 ILE 38 -5.098 8.523 1.096 352 2HG2 ILE 38 2HG2 ILE 38 -4.087 7.202 1.681 353 3HG2 ILE 38 3HG2 ILE 38 -5.441 6.864 0.606 354 1HD1 ILE 38 1HD1 ILE 38 -1.422 6.991 0.580 355 2HD1 ILE 38 2HD1 ILE 38 -1.201 5.436 -0.223 356 3HD1 ILE 38 3HD1 ILE 38 -2.312 5.575 1.140 357 H LEU 39 HN LEU 39 -4.385 10.616 -0.758 358 HA LEU 39 HA LEU 39 -6.807 10.905 0.532 359 1HB LEU 39 HB2 LEU 39 -4.738 12.702 -0.503 360 2HB LEU 39 HB1 LEU 39 -6.326 13.438 -0.389 361 HG LEU 39 HG LEU 39 -6.433 12.857 1.993 362 1HD1 LEU 39 1HD1 LEU 39 -5.197 10.954 2.346 363 2HD1 LEU 39 2HD1 LEU 39 -4.103 12.191 2.966 364 3HD1 LEU 39 3HD1 LEU 39 -3.849 11.515 1.357 365 1HD2 LEU 39 1HD2 LEU 39 -3.983 14.376 1.115 366 2HD2 LEU 39 2HD2 LEU 39 -4.616 14.378 2.762 367 3HD2 LEU 39 3HD2 LEU 39 -5.590 15.028 1.443 368 H LYS 40 HN LYS 40 -6.115 11.243 -2.932 369 HA LYS 40 HA LYS 40 -8.875 12.133 -3.364 370 1HB LYS 40 HB2 LYS 40 -6.770 11.883 -5.496 371 2HB LYS 40 HB1 LYS 40 -8.218 12.882 -5.497 372 1HG LYS 40 HG2 LYS 40 -6.659 14.473 -5.064 373 2HG LYS 40 HG1 LYS 40 -7.037 13.982 -3.412 374 1HD LYS 40 HD2 LYS 40 -5.055 12.211 -4.211 375 2HD LYS 40 HD1 LYS 40 -4.554 13.758 -4.894 376 1HE LYS 40 HE2 LYS 40 -5.506 13.844 -2.110 377 2HE LYS 40 HE1 LYS 40 -4.000 12.959 -2.368 378 1HZ LYS 40 HZ1 LYS 40 -3.018 14.882 -3.342 379 2HZ LYS 40 HZ2 LYS 40 -3.706 15.355 -1.871 380 3HZ LYS 40 HZ3 LYS 40 -4.483 15.729 -3.326 381 H GLU 41 HN GLU 41 -6.672 9.529 -4.302 382 HA GLU 41 HA GLU 41 -8.810 8.201 -5.788 383 1HB GLU 41 HB2 GLU 41 -6.084 7.050 -5.299 384 2HB GLU 41 HB1 GLU 41 -7.173 6.759 -6.650 385 1HG GLU 41 HG2 GLU 41 -6.643 9.487 -6.696 386 2HG GLU 41 HG1 GLU 41 -5.104 8.714 -6.343 387 H THR 42 HN THR 42 -7.829 8.351 -2.652 388 HA THR 42 HA THR 42 -9.087 5.778 -2.074 389 HB THR 42 HB THR 42 -6.519 6.860 -0.935 390 HG1 THR 42 HG1 THR 42 -6.180 5.611 -2.714 391 1HG2 THR 42 1HG2 THR 42 -7.182 6.012 1.019 392 2HG2 THR 42 2HG2 THR 42 -6.741 4.484 0.258 393 3HG2 THR 42 3HG2 THR 42 -8.427 5.003 0.282 394 H GLU 43 HN GLU 43 -9.605 8.869 -1.969 395 HA GLU 43 HA GLU 43 -9.950 9.781 0.591 396 1HB GLU 43 HB2 GLU 43 -12.119 10.870 -0.416 397 2HB GLU 43 HB1 GLU 43 -10.537 11.369 -0.981 398 1HG GLU 43 HG2 GLU 43 -11.031 10.780 -3.054 399 2HG GLU 43 HG1 GLU 43 -11.462 9.150 -2.540 400 H PHE 44 HN PHE 44 -12.493 8.154 -1.313 401 HA PHE 44 HA PHE 44 -13.968 7.596 1.109 402 1HB PHE 44 HB2 PHE 44 -14.797 8.241 -1.368 403 2HB PHE 44 HB1 PHE 44 -14.872 6.487 -1.486 404 HD1 PHE 44 HD1 PHE 44 -16.649 5.297 -0.548 405 HD2 PHE 44 HD2 PHE 44 -16.058 9.377 0.505 406 HE1 PHE 44 HE1 PHE 44 -18.825 5.311 0.603 407 HE2 PHE 44 HE2 PHE 44 -18.231 9.399 1.659 408 HZ PHE 44 HZ PHE 44 -19.616 7.364 1.709 409 H LYS 45 HN LYS 45 -11.762 5.960 -0.998 410 HA LYS 45 HA LYS 45 -12.615 3.325 -0.634 411 1HB LYS 45 HB2 LYS 45 -9.729 4.151 -0.879 412 2HB LYS 45 HB1 LYS 45 -10.470 2.646 -1.404 413 1HG LYS 45 HG2 LYS 45 -10.927 5.372 -2.601 414 2HG LYS 45 HG1 LYS 45 -9.975 4.062 -3.300 415 1HD LYS 45 HD2 LYS 45 -11.993 2.676 -3.430 416 2HD LYS 45 HD1 LYS 45 -12.941 4.002 -2.749 417 1HE LYS 45 HE2 LYS 45 -12.313 5.410 -4.666 418 2HE LYS 45 HE1 LYS 45 -11.414 4.057 -5.352 419 1HZ LYS 45 HZ1 LYS 45 -13.392 3.833 -6.429 420 2HZ LYS 45 HZ2 LYS 45 -14.309 4.453 -5.151 421 3HZ LYS 45 HZ3 LYS 45 -13.718 2.870 -5.076 422 H LYS 46 HN LYS 46 -10.267 5.230 1.254 423 HA LYS 46 HA LYS 46 -9.701 3.145 3.084 424 1HB LYS 46 HB2 LYS 46 -8.644 4.925 4.452 425 2HB LYS 46 HB1 LYS 46 -8.105 4.907 2.780 426 1HG LYS 46 HG2 LYS 46 -8.718 7.013 2.500 427 2HG LYS 46 HG1 LYS 46 -10.354 6.664 3.057 428 1HD LYS 46 HD2 LYS 46 -9.964 7.696 4.992 429 2HD LYS 46 HD1 LYS 46 -8.545 6.690 5.289 430 1HE LYS 46 HE2 LYS 46 -7.121 8.299 4.636 431 2HE LYS 46 HE1 LYS 46 -8.138 8.780 3.278 432 1HZ LYS 46 HZ1 LYS 46 -8.113 9.775 6.025 433 2HZ LYS 46 HZ2 LYS 46 -9.607 9.719 5.234 434 3HZ LYS 46 HZ3 LYS 46 -8.333 10.615 4.572 435 H ILE 47 HN ILE 47 -12.057 5.788 3.161 436 HA ILE 47 HA ILE 47 -12.745 5.400 5.887 437 HB ILE 47 HB ILE 47 -14.757 6.747 5.435 438 1HG1 ILE 47 2HG1 ILE 47 -14.532 7.836 2.989 439 2HG1 ILE 47 1HG1 ILE 47 -13.953 6.216 2.633 440 1HG2 ILE 47 1HG2 ILE 47 -13.568 8.663 5.477 441 2HG2 ILE 47 2HG2 ILE 47 -12.642 8.248 4.035 442 3HG2 ILE 47 3HG2 ILE 47 -12.206 7.550 5.595 443 1HD1 ILE 47 1HD1 ILE 47 -16.644 7.167 3.135 444 2HD1 ILE 47 2HD1 ILE 47 -16.226 5.753 4.103 445 3HD1 ILE 47 3HD1 ILE 47 -16.092 5.690 2.345 446 H LYS 48 HN LYS 48 -14.464 4.368 2.894 447 HA LYS 48 HA LYS 48 -16.553 3.050 4.127 448 1HB LYS 48 HB2 LYS 48 -16.873 1.846 2.087 449 2HB LYS 48 HB1 LYS 48 -16.293 3.450 1.665 450 1HG LYS 48 HG2 LYS 48 -14.138 2.633 1.134 451 2HG LYS 48 HG1 LYS 48 -14.480 1.064 1.864 452 1HD LYS 48 HD2 LYS 48 -15.368 0.294 -0.028 453 2HD LYS 48 HD1 LYS 48 -16.425 1.700 -0.172 454 1HE LYS 48 HE2 LYS 48 -14.560 2.969 -1.159 455 2HE LYS 48 HE1 LYS 48 -13.549 1.529 -1.063 456 1HZ LYS 48 HZ1 LYS 48 -14.558 0.596 -2.825 457 2HZ LYS 48 HZ2 LYS 48 -14.970 2.191 -3.211 458 3HZ LYS 48 HZ3 LYS 48 -16.090 1.195 -2.426 459 H VAL 49 HN VAL 49 -13.250 1.981 3.611 460 HA VAL 49 HA VAL 49 -13.725 -0.719 4.453 461 HB VAL 49 HB VAL 49 -11.083 0.739 4.302 462 1HG1 VAL 49 1HG1 VAL 49 -11.611 -1.697 5.405 463 2HG1 VAL 49 2HG1 VAL 49 -10.059 -1.211 4.723 464 3HG1 VAL 49 3HG1 VAL 49 -11.201 -2.133 3.746 465 1HG2 VAL 49 1HG2 VAL 49 -10.913 0.269 2.065 466 2HG2 VAL 49 2HG2 VAL 49 -12.645 0.573 2.193 467 3HG2 VAL 49 3HG2 VAL 49 -12.041 -1.083 2.151 468 H LEU 50 HN LEU 50 -12.763 2.263 6.015 469 HA LEU 50 HA LEU 50 -12.019 0.940 8.477 470 1HB LEU 50 HB2 LEU 50 -12.287 3.845 7.719 471 2HB LEU 50 HB1 LEU 50 -11.831 3.308 9.325 472 HG LEU 50 HG LEU 50 -10.268 2.524 6.876 473 1HD1 LEU 50 1HD1 LEU 50 -10.564 5.109 7.565 474 2HD1 LEU 50 2HD1 LEU 50 -9.087 4.443 6.869 475 3HD1 LEU 50 3HD1 LEU 50 -9.221 4.658 8.614 476 1HD2 LEU 50 1HD2 LEU 50 -8.466 2.298 8.616 477 2HD2 LEU 50 2HD2 LEU 50 -9.790 1.139 8.744 478 3HD2 LEU 50 3HD2 LEU 50 -9.720 2.522 9.835 479 H GLY 51 HN GLY 51 -14.809 2.547 7.133 480 1HA GLY 51 HA2 GLY 51 -16.170 2.470 9.730 481 2HA GLY 51 HA1 GLY 51 -16.732 3.322 8.301 482 H SER 52 HN SER 52 -15.582 0.030 8.171 483 HA SER 52 HA SER 52 -17.821 -0.942 6.824 484 1HB SER 52 HB2 SER 52 -15.664 -2.092 6.773 485 2HB SER 52 HB1 SER 52 -15.805 -2.470 8.489 486 HG SER 52 HG SER 52 -16.915 -4.151 7.935 487 H GLY 53 HN GLY 53 -17.193 -0.592 10.236 488 1HA GLY 53 HA2 GLY 53 -19.370 -2.304 11.050 489 2HA GLY 53 HA1 GLY 53 -18.400 -1.276 12.096 Start of MODEL 24 1 1H ARG 1 HT1 ARG 1 23.161 -6.298 15.166 2 2H ARG 1 HT2 ARG 1 21.710 -7.094 15.621 3 3H ARG 1 HT3 ARG 1 22.666 -6.302 16.807 4 HA ARG 1 HA ARG 1 22.291 -4.227 15.489 5 1HB ARG 1 HB2 ARG 1 21.061 -6.114 13.817 6 2HB ARG 1 HB1 ARG 1 19.738 -5.202 14.529 7 1HG ARG 1 HG2 ARG 1 20.091 -3.752 12.875 8 2HG ARG 1 HG1 ARG 1 21.477 -3.218 13.827 9 1HD ARG 1 HD2 ARG 1 22.871 -3.896 12.236 10 2HD ARG 1 HD1 ARG 1 22.209 -5.527 12.306 11 HE ARG 1 HE ARG 1 20.595 -3.684 10.801 12 1HH1 ARG 1 1HH1 ARG 1 23.286 -5.902 10.670 13 2HH1 ARG 1 2HH1 ARG 1 23.139 -6.176 8.966 14 1HH2 ARG 1 1HH2 ARG 1 20.400 -4.043 8.562 15 2HH2 ARG 1 2HH2 ARG 1 21.501 -5.121 7.769 16 H ARG 2 HN ARG 2 21.939 -3.403 17.492 17 HA ARG 2 HA ARG 2 19.230 -3.522 18.509 18 1HB ARG 2 HB2 ARG 2 21.393 -5.034 19.712 19 2HB ARG 2 HB1 ARG 2 20.728 -3.864 20.845 20 1HG ARG 2 HG2 ARG 2 18.491 -4.778 20.472 21 2HG ARG 2 HG1 ARG 2 19.164 -5.955 19.343 22 1HD ARG 2 HD2 ARG 2 20.714 -6.556 21.364 23 2HD ARG 2 HD1 ARG 2 19.439 -5.793 22.312 24 HE ARG 2 HE ARG 2 18.198 -7.674 22.008 25 1HH1 ARG 2 1HH1 ARG 2 20.524 -7.486 19.413 26 2HH1 ARG 2 2HH1 ARG 2 20.065 -9.007 18.725 27 1HH2 ARG 2 1HH2 ARG 2 17.592 -9.673 21.104 28 2HH2 ARG 2 2HH2 ARG 2 18.400 -10.250 19.685 29 H ARG 3 HN ARG 3 22.541 -2.426 19.222 30 HA ARG 3 HA ARG 3 21.666 -0.093 20.620 31 1HB ARG 3 HB2 ARG 3 24.318 -1.078 19.614 32 2HB ARG 3 HB1 ARG 3 24.155 0.557 20.239 33 1HG ARG 3 HG2 ARG 3 23.141 -1.700 21.887 34 2HG ARG 3 HG1 ARG 3 24.883 -1.431 21.788 35 1HD ARG 3 HD2 ARG 3 24.043 -0.246 23.693 36 2HD ARG 3 HD1 ARG 3 24.495 0.931 22.460 37 HE ARG 3 HE ARG 3 22.298 1.564 22.301 38 1HH1 ARG 3 1HH1 ARG 3 22.489 -1.453 24.045 39 2HH1 ARG 3 2HH1 ARG 3 20.820 -1.436 24.506 40 1HH2 ARG 3 1HH2 ARG 3 20.103 1.587 22.906 41 2HH2 ARG 3 2HH2 ARG 3 19.465 0.289 23.858 42 H HIS 4 HN HIS 4 21.497 1.995 19.927 43 HA HIS 4 HA HIS 4 20.964 2.427 17.167 44 1HB HIS 4 HB2 HIS 4 20.865 4.028 19.652 45 2HB HIS 4 HB1 HIS 4 21.095 4.941 18.165 46 HD1 HIS 4 HD1 HIS 4 18.535 3.297 20.183 47 HD2 HIS 4 HD2 HIS 4 18.951 4.526 16.235 48 HE1 HIS 4 HE1 HIS 4 16.205 3.327 19.239 49 HE2 HIS 4 HE2 HIS 4 16.488 4.009 16.829 50 H ILE 5 HN ILE 5 22.932 1.858 16.133 51 HA ILE 5 HA ILE 5 24.917 4.024 16.195 52 HB ILE 5 HB ILE 5 25.676 1.115 15.947 53 1HG1 ILE 5 2HG1 ILE 5 26.181 2.870 18.347 54 2HG1 ILE 5 1HG1 ILE 5 24.752 1.848 18.225 55 1HG2 ILE 5 1HG2 ILE 5 27.037 3.245 15.056 56 2HG2 ILE 5 2HG2 ILE 5 27.816 1.789 15.676 57 3HG2 ILE 5 3HG2 ILE 5 27.620 3.197 16.720 58 1HD1 ILE 5 1HD1 ILE 5 26.212 0.537 19.428 59 2HD1 ILE 5 2HD1 ILE 5 27.616 1.067 18.502 60 3HD1 ILE 5 3HD1 ILE 5 26.455 -0.049 17.782 61 H VAL 6 HN VAL 6 24.241 0.996 14.426 62 HA VAL 6 HA VAL 6 24.717 2.449 11.915 63 HB VAL 6 HB VAL 6 24.594 -0.542 12.309 64 1HG1 VAL 6 1HG1 VAL 6 24.940 -0.756 10.110 65 2HG1 VAL 6 2HG1 VAL 6 26.124 0.551 10.076 66 3HG1 VAL 6 3HG1 VAL 6 24.401 0.919 9.999 67 1HG2 VAL 6 1HG2 VAL 6 26.774 1.394 12.746 68 2HG2 VAL 6 2HG2 VAL 6 27.195 -0.042 11.813 69 3HG2 VAL 6 3HG2 VAL 6 26.522 -0.210 13.435 70 H ARG 7 HN ARG 7 22.886 3.229 11.086 71 HA ARG 7 HA ARG 7 20.694 1.395 10.564 72 1HB ARG 7 HB2 ARG 7 20.252 2.505 12.795 73 2HB ARG 7 HB1 ARG 7 20.143 4.030 11.927 74 1HG ARG 7 HG2 ARG 7 17.944 3.060 12.378 75 2HG ARG 7 HG1 ARG 7 18.261 3.205 10.649 76 1HD ARG 7 HD2 ARG 7 18.591 0.904 10.399 77 2HD ARG 7 HD1 ARG 7 18.837 0.661 12.128 78 HE ARG 7 HE ARG 7 16.214 1.624 11.498 79 1HH1 ARG 7 1HH1 ARG 7 18.208 -1.234 11.693 80 2HH1 ARG 7 2HH1 ARG 7 16.869 -2.304 11.936 81 1HH2 ARG 7 1HH2 ARG 7 14.452 0.219 11.817 82 2HH2 ARG 7 2HH2 ARG 7 14.735 -1.479 12.005 83 H LYS 8 HN LYS 8 21.363 4.900 10.465 84 HA LYS 8 HA LYS 8 19.959 5.511 8.173 85 1HB LYS 8 HB2 LYS 8 22.246 6.719 9.612 86 2HB LYS 8 HB1 LYS 8 22.009 7.250 7.952 87 1HG LYS 8 HG2 LYS 8 19.521 7.224 9.425 88 2HG LYS 8 HG1 LYS 8 20.741 8.228 10.212 89 1HD LYS 8 HD2 LYS 8 19.428 9.544 8.639 90 2HD LYS 8 HD1 LYS 8 21.106 9.426 8.104 91 1HE LYS 8 HE2 LYS 8 20.205 8.855 6.129 92 2HE LYS 8 HE1 LYS 8 20.007 7.269 6.875 93 1HZ LYS 8 HZ1 LYS 8 18.012 8.630 5.772 94 2HZ LYS 8 HZ2 LYS 8 17.874 9.180 7.366 95 3HZ LYS 8 HZ3 LYS 8 17.790 7.523 7.034 96 H ARG 9 HN ARG 9 23.309 4.383 8.443 97 HA ARG 9 HA ARG 9 23.830 4.524 5.645 98 1HB ARG 9 HB2 ARG 9 25.853 3.186 6.209 99 2HB ARG 9 HB1 ARG 9 25.675 4.641 7.179 100 1HG ARG 9 HG2 ARG 9 24.479 2.228 8.343 101 2HG ARG 9 HG1 ARG 9 26.235 2.190 8.171 102 1HD ARG 9 HD2 ARG 9 25.706 4.722 9.168 103 2HD ARG 9 HD1 ARG 9 24.578 3.679 10.032 104 HE ARG 9 HE ARG 9 26.953 2.362 10.199 105 1HH1 ARG 9 1HH1 ARG 9 25.898 5.588 11.011 106 2HH1 ARG 9 2HH1 ARG 9 27.032 5.767 12.308 107 1HH2 ARG 9 1HH2 ARG 9 28.445 2.596 11.904 108 2HH2 ARG 9 2HH2 ARG 9 28.479 4.070 12.814 109 H THR 10 HN THR 10 22.280 2.199 7.667 110 HA THR 10 HA THR 10 22.639 0.032 5.768 111 HB THR 10 HB THR 10 22.331 0.063 8.478 112 HG1 THR 10 HG1 THR 10 21.845 -1.971 6.584 113 1HG2 THR 10 1HG2 THR 10 19.963 0.561 8.443 114 2HG2 THR 10 2HG2 THR 10 20.237 -1.087 9.006 115 3HG2 THR 10 3HG2 THR 10 19.672 -0.798 7.361 116 H LEU 11 HN LEU 11 19.945 1.939 7.095 117 HA LEU 11 HA LEU 11 17.933 0.813 5.497 118 1HB LEU 11 HB2 LEU 11 16.626 2.821 6.058 119 2HB LEU 11 HB1 LEU 11 17.384 2.096 7.463 120 HG LEU 11 HG LEU 11 19.264 3.897 6.925 121 1HD1 LEU 11 1HD1 LEU 11 18.684 5.654 5.666 122 2HD1 LEU 11 2HD1 LEU 11 17.027 5.670 6.273 123 3HD1 LEU 11 3HD1 LEU 11 17.483 4.561 4.979 124 1HD2 LEU 11 1HD2 LEU 11 16.891 3.828 8.612 125 2HD2 LEU 11 2HD2 LEU 11 17.463 5.465 8.290 126 3HD2 LEU 11 3HD2 LEU 11 18.550 4.275 9.006 127 H ARG 12 HN ARG 12 20.503 2.876 4.674 128 HA ARG 12 HA ARG 12 19.238 4.254 2.530 129 1HB ARG 12 HB2 ARG 12 21.761 4.314 3.833 130 2HB ARG 12 HB1 ARG 12 22.061 4.062 2.120 131 1HG ARG 12 HG2 ARG 12 20.229 6.042 2.008 132 2HG ARG 12 HG1 ARG 12 21.030 6.420 3.534 133 1HD ARG 12 HD2 ARG 12 23.158 6.557 2.472 134 2HD ARG 12 HD1 ARG 12 22.516 5.897 0.968 135 HE ARG 12 HE ARG 12 21.256 8.348 1.787 136 1HH1 ARG 12 1HH1 ARG 12 23.945 6.954 0.054 137 2HH1 ARG 12 2HH1 ARG 12 24.190 8.350 -0.941 138 1HH2 ARG 12 1HH2 ARG 12 21.576 10.184 0.479 139 2HH2 ARG 12 2HH2 ARG 12 22.846 10.184 -0.700 140 H ARG 13 HN ARG 13 20.216 1.066 2.926 141 HA ARG 13 HA ARG 13 20.975 0.585 0.182 142 1HB ARG 13 HB2 ARG 13 21.304 -1.682 0.829 143 2HB ARG 13 HB1 ARG 13 21.893 -0.694 2.158 144 1HG ARG 13 HG2 ARG 13 19.407 -1.072 3.022 145 2HG ARG 13 HG1 ARG 13 19.573 -2.525 2.034 146 1HD ARG 13 HD2 ARG 13 21.367 -3.322 3.304 147 2HD ARG 13 HD1 ARG 13 21.681 -1.741 4.016 148 HE ARG 13 HE ARG 13 20.090 -2.172 5.610 149 1HH1 ARG 13 1HH1 ARG 13 19.795 -4.515 3.040 150 2HH1 ARG 13 2HH1 ARG 13 18.661 -5.501 3.900 151 1HH2 ARG 13 1HH2 ARG 13 18.599 -3.468 6.743 152 2HH2 ARG 13 2HH2 ARG 13 17.981 -4.906 6.002 153 H LEU 14 HN LEU 14 18.157 0.209 2.230 154 HA LEU 14 HA LEU 14 16.601 -1.301 0.394 155 1HB LEU 14 HB2 LEU 14 16.033 0.276 2.866 156 2HB LEU 14 HB1 LEU 14 14.691 -0.207 1.846 157 HG LEU 14 HG LEU 14 16.140 -2.551 2.156 158 1HD1 LEU 14 1HD1 LEU 14 16.254 -2.690 4.688 159 2HD1 LEU 14 2HD1 LEU 14 16.206 -0.926 4.681 160 3HD1 LEU 14 3HD1 LEU 14 17.531 -1.776 3.884 161 1HD2 LEU 14 1HD2 LEU 14 13.790 -2.580 2.147 162 2HD2 LEU 14 2HD2 LEU 14 13.688 -1.459 3.505 163 3HD2 LEU 14 3HD2 LEU 14 14.251 -3.110 3.764 164 H LEU 15 HN LEU 15 16.611 2.161 1.241 165 HA LEU 15 HA LEU 15 14.676 2.960 -0.620 166 1HB LEU 15 HB2 LEU 15 16.995 4.608 0.382 167 2HB LEU 15 HB1 LEU 15 15.478 5.209 -0.261 168 HG LEU 15 HG LEU 15 15.538 3.509 2.213 169 1HD1 LEU 15 1HD1 LEU 15 15.978 6.479 2.002 170 2HD1 LEU 15 2HD1 LEU 15 17.035 5.280 2.747 171 3HD1 LEU 15 3HD1 LEU 15 15.480 5.665 3.485 172 1HD2 LEU 15 1HD2 LEU 15 13.582 5.179 0.760 173 2HD2 LEU 15 2HD2 LEU 15 13.527 5.250 2.521 174 3HD2 LEU 15 3HD2 LEU 15 13.345 3.703 1.694 175 H GLN 16 HN GLN 16 18.197 2.731 -0.872 176 HA GLN 16 HA GLN 16 18.281 3.778 -3.537 177 1HB GLN 16 HB2 GLN 16 20.287 2.444 -1.744 178 2HB GLN 16 HB1 GLN 16 20.665 2.789 -3.426 179 1HG GLN 16 HG2 GLN 16 19.871 5.197 -2.802 180 2HG GLN 16 HG1 GLN 16 20.221 4.666 -1.157 181 1HE2 GLN 16 1HE2 GLN 16 22.403 3.638 -0.881 182 2HE2 GLN 16 2HE2 GLN 16 23.728 4.377 -1.707 183 H GLU 17 HN GLU 17 17.621 0.702 -2.181 184 HA GLU 17 HA GLU 17 18.527 -0.919 -4.335 185 1HB GLU 17 HB2 GLU 17 17.039 -1.283 -1.849 186 2HB GLU 17 HB1 GLU 17 16.446 -2.313 -3.146 187 1HG GLU 17 HG2 GLU 17 19.203 -2.546 -3.298 188 2HG GLU 17 HG1 GLU 17 18.859 -2.520 -1.569 189 H ARG 18 HN ARG 18 15.593 0.853 -3.672 190 HA ARG 18 HA ARG 18 13.902 -0.375 -5.550 191 1HB ARG 18 HB2 ARG 18 13.809 2.529 -4.740 192 2HB ARG 18 HB1 ARG 18 12.472 1.524 -5.286 193 1HG ARG 18 HG2 ARG 18 13.248 0.115 -3.138 194 2HG ARG 18 HG1 ARG 18 13.725 1.736 -2.628 195 1HD ARG 18 HD2 ARG 18 11.502 1.396 -1.867 196 2HD ARG 18 HD1 ARG 18 11.415 2.502 -3.237 197 HE ARG 18 HE ARG 18 11.027 0.090 -4.385 198 1HH1 ARG 18 1HH1 ARG 18 9.542 1.683 -1.658 199 2HH1 ARG 18 2HH1 ARG 18 8.012 0.903 -1.875 200 1HH2 ARG 18 1HH2 ARG 18 9.015 -0.937 -4.673 201 2HH2 ARG 18 2HH2 ARG 18 7.712 -0.586 -3.586 202 H GLU 19 HN GLU 19 16.550 1.787 -5.947 203 HA GLU 19 HA GLU 19 15.936 3.163 -8.257 204 1HB GLU 19 HB2 GLU 19 18.586 1.966 -7.436 205 2HB GLU 19 HB1 GLU 19 18.383 3.159 -8.712 206 1HG GLU 19 HG2 GLU 19 17.132 4.075 -6.300 207 2HG GLU 19 HG1 GLU 19 18.803 3.611 -5.983 208 H LEU 20 HN LEU 20 16.724 -0.209 -7.862 209 HA LEU 20 HA LEU 20 16.936 -0.601 -10.747 210 1HB LEU 20 HB2 LEU 20 17.634 -2.848 -10.236 211 2HB LEU 20 HB1 LEU 20 18.548 -1.717 -9.256 212 HG LEU 20 HG LEU 20 16.321 -2.443 -7.698 213 1HD1 LEU 20 1HD1 LEU 20 17.268 -4.644 -9.418 214 2HD1 LEU 20 2HD1 LEU 20 15.713 -4.411 -8.618 215 3HD1 LEU 20 3HD1 LEU 20 17.096 -5.012 -7.702 216 1HD2 LEU 20 1HD2 LEU 20 18.863 -1.986 -7.225 217 2HD2 LEU 20 2HD2 LEU 20 18.977 -3.741 -7.333 218 3HD2 LEU 20 3HD2 LEU 20 17.909 -2.999 -6.142 219 H VAL 21 HN VAL 21 14.451 0.264 -10.115 220 HA VAL 21 HA VAL 21 12.833 -2.100 -10.705 221 HB VAL 21 HB VAL 21 11.957 -0.068 -8.651 222 1HG1 VAL 21 1HG1 VAL 21 10.703 -2.727 -8.823 223 2HG1 VAL 21 2HG1 VAL 21 10.406 -1.654 -10.190 224 3HG1 VAL 21 3HG1 VAL 21 9.977 -1.142 -8.559 225 1HG2 VAL 21 1HG2 VAL 21 13.456 -2.612 -8.376 226 2HG2 VAL 21 2HG2 VAL 21 12.177 -2.292 -7.206 227 3HG2 VAL 21 3HG2 VAL 21 13.509 -1.152 -7.390 228 H GLU 22 HN GLU 22 12.249 1.354 -10.014 229 HA GLU 22 HA GLU 22 11.423 1.768 -12.775 230 1HB GLU 22 HB2 GLU 22 9.589 2.382 -10.451 231 2HB GLU 22 HB1 GLU 22 9.275 2.750 -12.141 232 1HG GLU 22 HG2 GLU 22 9.585 0.183 -12.464 233 2HG GLU 22 HG1 GLU 22 9.239 0.125 -10.736 234 HA PRO 23 HA PRO 23 13.919 5.383 -11.771 235 1HB PRO 23 HB2 PRO 23 12.816 6.239 -14.399 236 2HB PRO 23 HB1 PRO 23 14.491 6.212 -13.835 237 1HG PRO 23 HG2 PRO 23 13.610 4.386 -15.558 238 2HG PRO 23 HG1 PRO 23 14.736 3.944 -14.260 239 1HD PRO 23 HD2 PRO 23 11.793 3.465 -14.466 240 2HD PRO 23 HD1 PRO 23 13.062 2.424 -13.790 241 H LEU 24 HN LEU 24 10.539 5.295 -12.613 242 HA LEU 24 HA LEU 24 10.204 8.043 -11.634 243 1HB LEU 24 HB2 LEU 24 8.008 8.014 -12.674 244 2HB LEU 24 HB1 LEU 24 9.258 7.622 -13.837 245 HG LEU 24 HG LEU 24 7.738 5.420 -12.491 246 1HD1 LEU 24 1HD1 LEU 24 6.819 6.809 -14.995 247 2HD1 LEU 24 2HD1 LEU 24 6.113 7.086 -13.404 248 3HD1 LEU 24 3HD1 LEU 24 6.027 5.486 -14.140 249 1HD2 LEU 24 1HD2 LEU 24 9.573 5.744 -14.750 250 2HD2 LEU 24 2HD2 LEU 24 8.162 4.745 -15.094 251 3HD2 LEU 24 3HD2 LEU 24 9.232 4.328 -13.757 252 H THR 25 HN THR 25 9.004 4.742 -11.195 253 HA THR 25 HA THR 25 7.655 3.816 -9.584 254 HB THR 25 HB THR 25 8.602 4.795 -7.219 255 HG1 THR 25 HG1 THR 25 10.705 5.092 -9.096 256 1HG2 THR 25 1HG2 THR 25 8.877 2.469 -8.599 257 2HG2 THR 25 2HG2 THR 25 9.607 2.817 -7.032 258 3HG2 THR 25 3HG2 THR 25 10.543 3.041 -8.511 259 HA PRO 26 HA PRO 26 4.743 7.337 -9.081 260 1HB PRO 26 HB2 PRO 26 2.508 5.851 -9.507 261 2HB PRO 26 HB1 PRO 26 3.474 6.537 -10.819 262 1HG PRO 26 HG2 PRO 26 3.480 3.753 -9.716 263 2HG PRO 26 HG1 PRO 26 3.526 4.288 -11.406 264 1HD PRO 26 HD2 PRO 26 5.743 3.489 -10.077 265 2HD PRO 26 HD1 PRO 26 5.786 4.742 -11.334 266 H SER 27 HN SER 27 4.952 4.199 -7.576 267 HA SER 27 HA SER 27 3.985 5.329 -5.081 268 1HB SER 27 HB2 SER 27 1.902 4.526 -5.935 269 2HB SER 27 HB1 SER 27 2.628 3.008 -6.460 270 HG SER 27 HG SER 27 2.270 3.889 -3.785 271 H GLY 28 HN GLY 28 6.554 4.737 -5.487 272 1HA GLY 28 HA2 GLY 28 7.094 2.756 -3.527 273 2HA GLY 28 HA1 GLY 28 7.442 2.129 -5.131 274 H GLU 29 HN GLU 29 7.870 5.422 -3.910 275 HA GLU 29 HA GLU 29 10.708 5.147 -3.628 276 1HB GLU 29 HB2 GLU 29 10.451 5.260 -6.101 277 2HB GLU 29 HB1 GLU 29 9.682 6.831 -5.920 278 1HG GLU 29 HG2 GLU 29 12.062 7.069 -4.519 279 2HG GLU 29 HG1 GLU 29 12.484 6.133 -5.952 280 H ALA 30 HN ALA 30 8.051 7.445 -4.180 281 HA ALA 30 HA ALA 30 9.165 9.103 -2.012 282 1HB ALA 30 HB1 ALA 30 9.353 10.239 -4.157 283 2HB ALA 30 HB2 ALA 30 8.190 11.058 -3.115 284 3HB ALA 30 HB3 ALA 30 7.623 10.031 -4.432 285 HA PRO 31 HA PRO 31 5.382 7.558 -0.006 286 1HB PRO 31 HB2 PRO 31 6.289 9.766 1.798 287 2HB PRO 31 HB1 PRO 31 5.708 8.148 2.209 288 1HG PRO 31 HG2 PRO 31 8.310 8.714 2.269 289 2HG PRO 31 HG1 PRO 31 7.730 7.144 1.685 290 1HD PRO 31 HD2 PRO 31 8.826 9.444 0.158 291 2HD PRO 31 HD1 PRO 31 8.890 7.709 -0.208 292 H ASN 32 HN ASN 32 6.269 10.928 -0.590 293 HA ASN 32 HA ASN 32 3.931 12.246 -0.058 294 1HB ASN 32 HB2 ASN 32 6.292 12.944 -1.209 295 2HB ASN 32 HB1 ASN 32 5.210 13.053 -2.593 296 1HD2 ASN 32 1HD2 ASN 32 2.889 13.856 -1.264 297 2HD2 ASN 32 2HD2 ASN 32 3.124 15.462 -0.672 298 H GLN 33 HN GLN 33 4.681 10.260 -2.867 299 HA GLN 33 HA GLN 33 2.358 10.978 -4.347 300 1HB GLN 33 HB2 GLN 33 3.856 8.390 -4.638 301 2HB GLN 33 HB1 GLN 33 2.921 9.252 -5.852 302 1HG GLN 33 HG2 GLN 33 5.503 10.217 -4.643 303 2HG GLN 33 HG1 GLN 33 5.338 9.439 -6.215 304 1HE2 GLN 33 1HE2 GLN 33 6.446 11.975 -5.850 305 2HE2 GLN 33 2HE2 GLN 33 5.419 13.138 -6.607 306 H ALA 34 HN ALA 34 2.981 8.734 -1.783 307 HA ALA 34 HA ALA 34 0.768 7.009 -2.204 308 1HB ALA 34 HB1 ALA 34 1.606 7.493 0.582 309 2HB ALA 34 HB2 ALA 34 2.883 6.965 -0.513 310 3HB ALA 34 HB3 ALA 34 1.438 5.978 -0.304 311 H LEU 35 HN LEU 35 1.283 9.743 -0.024 312 HA LEU 35 HA LEU 35 -1.399 9.942 0.864 313 1HB LEU 35 HB2 LEU 35 0.501 12.269 0.624 314 2HB LEU 35 HB1 LEU 35 -0.813 12.067 1.766 315 HG LEU 35 HG LEU 35 1.264 9.999 1.953 316 1HD1 LEU 35 1HD1 LEU 35 2.306 12.427 1.452 317 2HD1 LEU 35 2HD1 LEU 35 3.063 11.237 2.512 318 3HD1 LEU 35 3HD1 LEU 35 2.091 12.539 3.200 319 1HD2 LEU 35 1HD2 LEU 35 0.874 10.215 4.262 320 2HD2 LEU 35 2HD2 LEU 35 -0.704 10.431 3.503 321 3HD2 LEU 35 3HD2 LEU 35 0.196 11.834 4.080 322 H LEU 36 HN LEU 36 0.353 11.152 -1.885 323 HA LEU 36 HA LEU 36 -1.470 13.038 -2.828 324 1HB LEU 36 HB2 LEU 36 0.945 11.841 -3.717 325 2HB LEU 36 HB1 LEU 36 -0.197 11.809 -5.045 326 HG LEU 36 HG LEU 36 1.307 13.814 -4.974 327 1HD1 LEU 36 1HD1 LEU 36 -0.258 14.825 -6.177 328 2HD1 LEU 36 2HD1 LEU 36 -1.242 15.133 -4.745 329 3HD1 LEU 36 3HD1 LEU 36 -1.402 13.607 -5.613 330 1HD2 LEU 36 1HD2 LEU 36 1.007 15.510 -3.363 331 2HD2 LEU 36 2HD2 LEU 36 1.160 14.007 -2.453 332 3HD2 LEU 36 3HD2 LEU 36 -0.428 14.732 -2.697 333 H ARG 37 HN ARG 37 -1.193 9.558 -3.602 334 HA ARG 37 HA ARG 37 -3.573 9.745 -5.256 335 1HB ARG 37 HB2 ARG 37 -1.354 8.328 -5.592 336 2HB ARG 37 HB1 ARG 37 -2.235 7.153 -4.629 337 1HG ARG 37 HG2 ARG 37 -3.658 6.656 -6.291 338 2HG ARG 37 HG1 ARG 37 -3.722 8.317 -6.882 339 1HD ARG 37 HD2 ARG 37 -2.669 6.936 -8.546 340 2HD ARG 37 HD1 ARG 37 -1.458 8.008 -7.844 341 HE ARG 37 HE ARG 37 -1.208 5.773 -6.357 342 1HH1 ARG 37 1HH1 ARG 37 -1.249 6.326 -9.804 343 2HH1 ARG 37 2HH1 ARG 37 -0.219 4.979 -10.157 344 1HH2 ARG 37 1HH2 ARG 37 0.147 4.004 -6.822 345 2HH2 ARG 37 2HH2 ARG 37 0.572 3.661 -8.465 346 H ILE 38 HN ILE 38 -2.737 8.631 -2.050 347 HA ILE 38 HA ILE 38 -5.055 6.991 -1.755 348 HB ILE 38 HB ILE 38 -3.347 8.226 0.402 349 1HG1 ILE 38 2HG1 ILE 38 -2.317 6.668 -1.423 350 2HG1 ILE 38 1HG1 ILE 38 -1.931 6.393 0.271 351 1HG2 ILE 38 1HG2 ILE 38 -5.496 6.140 0.410 352 2HG2 ILE 38 2HG2 ILE 38 -5.292 7.535 1.471 353 3HG2 ILE 38 3HG2 ILE 38 -4.229 6.137 1.637 354 1HD1 ILE 38 1HD1 ILE 38 -3.960 4.888 -1.368 355 2HD1 ILE 38 2HD1 ILE 38 -3.620 4.613 0.341 356 3HD1 ILE 38 3HD1 ILE 38 -2.372 4.304 -0.867 357 H LEU 39 HN LEU 39 -4.212 10.289 -0.755 358 HA LEU 39 HA LEU 39 -6.700 10.785 0.500 359 1HB LEU 39 HB2 LEU 39 -4.675 11.998 1.094 360 2HB LEU 39 HB1 LEU 39 -4.595 12.685 -0.516 361 HG LEU 39 HG LEU 39 -7.145 13.341 0.551 362 1HD1 LEU 39 1HD1 LEU 39 -5.510 12.894 2.677 363 2HD1 LEU 39 2HD1 LEU 39 -6.862 14.025 2.668 364 3HD1 LEU 39 3HD1 LEU 39 -5.225 14.606 2.369 365 1HD2 LEU 39 1HD2 LEU 39 -5.826 15.665 0.577 366 2HD2 LEU 39 2HD2 LEU 39 -6.391 14.898 -0.907 367 3HD2 LEU 39 3HD2 LEU 39 -4.711 14.716 -0.406 368 H LYS 40 HN LYS 40 -5.558 11.120 -2.787 369 HA LYS 40 HA LYS 40 -7.925 12.687 -3.492 370 1HB LYS 40 HB2 LYS 40 -5.391 12.029 -4.959 371 2HB LYS 40 HB1 LYS 40 -6.769 12.764 -5.767 372 1HG LYS 40 HG2 LYS 40 -5.393 14.554 -5.191 373 2HG LYS 40 HG1 LYS 40 -6.662 14.556 -3.966 374 1HD LYS 40 HD2 LYS 40 -5.085 14.475 -2.401 375 2HD LYS 40 HD1 LYS 40 -4.631 12.872 -2.984 376 1HE LYS 40 HE2 LYS 40 -2.708 14.369 -2.924 377 2HE LYS 40 HE1 LYS 40 -3.087 13.884 -4.577 378 1HZ LYS 40 HZ1 LYS 40 -3.646 15.974 -5.152 379 2HZ LYS 40 HZ2 LYS 40 -2.650 16.401 -3.854 380 3HZ LYS 40 HZ3 LYS 40 -4.329 16.343 -3.649 381 H GLU 41 HN GLU 41 -6.710 9.438 -3.884 382 HA GLU 41 HA GLU 41 -9.063 8.897 -5.586 383 1HB GLU 41 HB2 GLU 41 -7.850 7.549 -7.008 384 2HB GLU 41 HB1 GLU 41 -6.711 8.835 -6.640 385 1HG GLU 41 HG2 GLU 41 -5.269 7.449 -5.725 386 2HG GLU 41 HG1 GLU 41 -6.507 6.630 -4.777 387 H THR 42 HN THR 42 -8.533 8.494 -2.583 388 HA THR 42 HA THR 42 -9.694 5.837 -2.555 389 HB THR 42 HB THR 42 -6.954 6.422 -1.622 390 HG1 THR 42 HG1 THR 42 -6.869 4.862 -3.028 391 1HG2 THR 42 1HG2 THR 42 -8.908 4.960 0.085 392 2HG2 THR 42 2HG2 THR 42 -7.588 6.034 0.547 393 3HG2 THR 42 3HG2 THR 42 -7.238 4.396 -0.014 394 H GLU 43 HN GLU 43 -8.134 7.820 -0.085 395 HA GLU 43 HA GLU 43 -9.770 7.400 2.003 396 1HB GLU 43 HB2 GLU 43 -8.967 9.345 2.976 397 2HB GLU 43 HB1 GLU 43 -7.746 8.999 1.758 398 1HG GLU 43 HG2 GLU 43 -8.635 10.654 0.291 399 2HG GLU 43 HG1 GLU 43 -10.035 10.901 1.332 400 H PHE 44 HN PHE 44 -10.338 9.980 -0.380 401 HA PHE 44 HA PHE 44 -12.653 10.979 0.627 402 1HB PHE 44 HB2 PHE 44 -11.252 11.112 -1.869 403 2HB PHE 44 HB1 PHE 44 -12.982 11.006 -2.180 404 HD1 PHE 44 HD1 PHE 44 -10.321 12.997 -0.630 405 HD2 PHE 44 HD2 PHE 44 -14.462 12.793 -1.591 406 HE1 PHE 44 HE1 PHE 44 -10.550 15.395 -0.132 407 HE2 PHE 44 HE2 PHE 44 -14.698 15.192 -1.095 408 HZ PHE 44 HZ PHE 44 -12.740 16.496 -0.364 409 H LYS 45 HN LYS 45 -12.207 8.063 -1.247 410 HA LYS 45 HA LYS 45 -15.022 7.702 -1.564 411 1HB LYS 45 HB2 LYS 45 -14.500 6.004 -3.026 412 2HB LYS 45 HB1 LYS 45 -13.077 7.026 -3.145 413 1HG LYS 45 HG2 LYS 45 -12.122 5.421 -1.327 414 2HG LYS 45 HG1 LYS 45 -13.374 4.331 -1.909 415 1HD LYS 45 HD2 LYS 45 -12.481 4.448 -4.144 416 2HD LYS 45 HD1 LYS 45 -11.312 5.675 -3.646 417 1HE LYS 45 HE2 LYS 45 -10.286 4.047 -2.112 418 2HE LYS 45 HE1 LYS 45 -11.430 2.824 -2.663 419 1HZ LYS 45 HZ1 LYS 45 -9.274 2.646 -3.771 420 2HZ LYS 45 HZ2 LYS 45 -9.453 4.208 -4.394 421 3HZ LYS 45 HZ3 LYS 45 -10.512 2.980 -4.875 422 H LYS 46 HN LYS 46 -12.467 5.985 0.237 423 HA LYS 46 HA LYS 46 -14.254 4.155 1.430 424 1HB LYS 46 HB2 LYS 46 -12.403 3.493 2.828 425 2HB LYS 46 HB1 LYS 46 -11.826 3.755 1.189 426 1HG LYS 46 HG2 LYS 46 -11.250 6.136 2.064 427 2HG LYS 46 HG1 LYS 46 -11.338 5.367 3.650 428 1HD LYS 46 HD2 LYS 46 -9.770 3.956 1.574 429 2HD LYS 46 HD1 LYS 46 -9.091 5.464 2.189 430 1HE LYS 46 HE2 LYS 46 -8.570 4.552 4.165 431 2HE LYS 46 HE1 LYS 46 -10.121 3.722 4.289 432 1HZ LYS 46 HZ1 LYS 46 -8.329 2.135 4.179 433 2HZ LYS 46 HZ2 LYS 46 -7.763 2.805 2.733 434 3HZ LYS 46 HZ3 LYS 46 -9.262 2.023 2.772 435 H ILE 47 HN ILE 47 -13.259 7.379 2.313 436 HA ILE 47 HA ILE 47 -13.824 7.353 5.038 437 HB ILE 47 HB ILE 47 -14.326 9.802 4.793 438 1HG1 ILE 47 2HG1 ILE 47 -13.397 10.466 2.327 439 2HG1 ILE 47 1HG1 ILE 47 -14.295 9.000 1.952 440 1HG2 ILE 47 1HG2 ILE 47 -11.913 10.136 3.648 441 2HG2 ILE 47 2HG2 ILE 47 -11.841 8.418 4.036 442 3HG2 ILE 47 3HG2 ILE 47 -12.145 9.597 5.311 443 1HD1 ILE 47 1HD1 ILE 47 -15.250 11.656 2.736 444 2HD1 ILE 47 2HD1 ILE 47 -16.080 10.303 3.504 445 3HD1 ILE 47 3HD1 ILE 47 -16.015 10.415 1.745 446 H LYS 48 HN LYS 48 -16.038 8.205 2.361 447 HA LYS 48 HA LYS 48 -18.278 8.689 3.965 448 1HB LYS 48 HB2 LYS 48 -19.585 8.553 1.963 449 2HB LYS 48 HB1 LYS 48 -18.048 9.297 1.547 450 1HG LYS 48 HG2 LYS 48 -17.540 6.655 1.086 451 2HG LYS 48 HG1 LYS 48 -19.238 6.793 0.630 452 1HD LYS 48 HD2 LYS 48 -18.553 8.822 -0.737 453 2HD LYS 48 HD1 LYS 48 -16.885 8.313 -0.468 454 1HE LYS 48 HE2 LYS 48 -17.584 6.057 -1.402 455 2HE LYS 48 HE1 LYS 48 -19.070 6.847 -1.925 456 1HZ LYS 48 HZ1 LYS 48 -18.016 7.929 -3.569 457 2HZ LYS 48 HZ2 LYS 48 -16.864 6.702 -3.410 458 3HZ LYS 48 HZ3 LYS 48 -16.613 8.197 -2.663 459 H VAL 49 HN VAL 49 -16.817 5.733 2.936 460 HA VAL 49 HA VAL 49 -19.123 4.099 3.540 461 HB VAL 49 HB VAL 49 -16.278 3.201 3.066 462 1HG1 VAL 49 1HG1 VAL 49 -17.030 1.077 3.047 463 2HG1 VAL 49 2HG1 VAL 49 -18.566 1.515 2.299 464 3HG1 VAL 49 3HG1 VAL 49 -18.334 1.742 4.032 465 1HG2 VAL 49 1HG2 VAL 49 -17.418 2.662 0.739 466 2HG2 VAL 49 2HG2 VAL 49 -16.671 4.226 1.065 467 3HG2 VAL 49 3HG2 VAL 49 -18.421 4.041 1.186 468 H LEU 50 HN LEU 50 -16.006 4.873 5.006 469 HA LEU 50 HA LEU 50 -16.337 3.125 7.239 470 1HB LEU 50 HB2 LEU 50 -14.506 5.501 6.888 471 2HB LEU 50 HB1 LEU 50 -14.394 4.314 8.174 472 HG LEU 50 HG LEU 50 -14.169 3.525 5.282 473 1HD1 LEU 50 1HD1 LEU 50 -12.494 5.297 5.895 474 2HD1 LEU 50 2HD1 LEU 50 -11.811 3.754 5.377 475 3HD1 LEU 50 3HD1 LEU 50 -11.853 4.169 7.090 476 1HD2 LEU 50 1HD2 LEU 50 -14.585 1.885 7.229 477 2HD2 LEU 50 2HD2 LEU 50 -12.904 2.205 7.653 478 3HD2 LEU 50 3HD2 LEU 50 -13.301 1.522 6.076 479 H GLY 51 HN GLY 51 -17.192 6.435 6.540 480 1HA GLY 51 HA2 GLY 51 -17.996 6.864 9.332 481 2HA GLY 51 HA1 GLY 51 -17.849 8.112 8.103 482 H SER 52 HN SER 52 -19.470 5.088 7.481 483 HA SER 52 HA SER 52 -21.852 6.418 6.671 484 1HB SER 52 HB2 SER 52 -20.763 4.029 6.042 485 2HB SER 52 HB1 SER 52 -21.967 3.508 7.220 486 HG SER 52 HG SER 52 -22.596 3.710 4.890 487 H GLY 53 HN GLY 53 -20.900 4.582 9.531 488 1HA GLY 53 HA2 GLY 53 -21.933 5.426 11.633 489 2HA GLY 53 HA1 GLY 53 -23.466 5.362 10.776 Start of MODEL 25 1 1H ARG 1 HT1 ARG 1 -5.854 -10.059 10.888 2 2H ARG 1 HT2 ARG 1 -6.030 -9.560 12.520 3 3H ARG 1 HT3 ARG 1 -7.402 -9.633 11.490 4 HA ARG 1 HA ARG 1 -5.758 -11.976 12.140 5 1HB ARG 1 HB2 ARG 1 -7.785 -10.517 13.716 6 2HB ARG 1 HB1 ARG 1 -8.045 -12.252 13.598 7 1HG ARG 1 HG2 ARG 1 -6.723 -12.297 15.411 8 2HG ARG 1 HG1 ARG 1 -5.429 -12.218 14.215 9 1HD ARG 1 HD2 ARG 1 -5.015 -9.984 14.614 10 2HD ARG 1 HD1 ARG 1 -6.633 -9.691 15.250 11 HE ARG 1 HE ARG 1 -4.343 -10.411 16.743 12 1HH1 ARG 1 1HH1 ARG 1 -7.780 -10.993 16.565 13 2HH1 ARG 1 2HH1 ARG 1 -7.934 -11.346 18.253 14 1HH2 ARG 1 1HH2 ARG 1 -4.546 -10.871 18.965 15 2HH2 ARG 1 2HH2 ARG 1 -6.099 -11.278 19.615 16 H ARG 2 HN ARG 2 -9.045 -10.771 11.450 17 HA ARG 2 HA ARG 2 -9.943 -13.211 10.324 18 1HB ARG 2 HB2 ARG 2 -10.986 -10.437 10.537 19 2HB ARG 2 HB1 ARG 2 -11.688 -11.463 9.293 20 1HG ARG 2 HG2 ARG 2 -12.081 -13.173 11.117 21 2HG ARG 2 HG1 ARG 2 -11.674 -11.895 12.262 22 1HD ARG 2 HD2 ARG 2 -13.497 -10.546 11.512 23 2HD ARG 2 HD1 ARG 2 -13.821 -11.637 10.166 24 HE ARG 2 HE ARG 2 -14.104 -13.209 12.368 25 1HH1 ARG 2 1HH1 ARG 2 -15.496 -10.175 11.354 26 2HH1 ARG 2 2HH1 ARG 2 -16.993 -10.440 12.183 27 1HH2 ARG 2 1HH2 ARG 2 -16.075 -13.562 13.459 28 2HH2 ARG 2 2HH2 ARG 2 -17.322 -12.363 13.379 29 H ARG 3 HN ARG 3 -8.357 -10.391 9.013 30 HA ARG 3 HA ARG 3 -8.783 -11.282 6.275 31 1HB ARG 3 HB2 ARG 3 -7.881 -8.786 7.574 32 2HB ARG 3 HB1 ARG 3 -7.142 -9.151 6.020 33 1HG ARG 3 HG2 ARG 3 -9.315 -9.252 4.968 34 2HG ARG 3 HG1 ARG 3 -10.108 -9.004 6.525 35 1HD ARG 3 HD2 ARG 3 -10.112 -6.898 5.466 36 2HD ARG 3 HD1 ARG 3 -8.828 -6.823 6.672 37 HE ARG 3 HE ARG 3 -7.302 -6.586 4.983 38 1HH1 ARG 3 1HH1 ARG 3 -10.315 -7.713 3.630 39 2HH1 ARG 3 2HH1 ARG 3 -9.797 -7.518 1.990 40 1HH2 ARG 3 1HH2 ARG 3 -6.618 -6.328 2.827 41 2HH2 ARG 3 2HH2 ARG 3 -7.697 -6.731 1.533 42 H HIS 4 HN HIS 4 -5.842 -9.953 7.695 43 HA HIS 4 HA HIS 4 -3.684 -10.598 7.560 44 1HB HIS 4 HB2 HIS 4 -5.186 -13.066 8.078 45 2HB HIS 4 HB1 HIS 4 -3.599 -13.332 7.367 46 HD1 HIS 4 HD1 HIS 4 -5.113 -13.152 10.536 47 HD2 HIS 4 HD2 HIS 4 -1.588 -11.631 8.951 48 HE1 HIS 4 HE1 HIS 4 -3.642 -12.664 12.517 49 HE2 HIS 4 HE2 HIS 4 -1.479 -11.834 11.527 50 H ILE 5 HN ILE 5 -4.789 -9.803 5.173 51 HA ILE 5 HA ILE 5 -3.707 -11.690 3.192 52 HB ILE 5 HB ILE 5 -5.472 -9.306 2.642 53 1HG1 ILE 5 2HG1 ILE 5 -6.389 -12.176 2.690 54 2HG1 ILE 5 1HG1 ILE 5 -6.470 -11.161 4.127 55 1HG2 ILE 5 1HG2 ILE 5 -4.128 -10.087 0.756 56 2HG2 ILE 5 2HG2 ILE 5 -5.845 -10.392 0.494 57 3HG2 ILE 5 3HG2 ILE 5 -4.777 -11.714 0.965 58 1HD1 ILE 5 1HD1 ILE 5 -8.597 -11.194 2.984 59 2HD1 ILE 5 2HD1 ILE 5 -7.832 -10.632 1.497 60 3HD1 ILE 5 3HD1 ILE 5 -7.891 -9.580 2.911 61 H VAL 6 HN VAL 6 -3.965 -8.156 3.653 62 HA VAL 6 HA VAL 6 -1.300 -7.910 2.423 63 HB VAL 6 HB VAL 6 -3.042 -6.838 1.088 64 1HG1 VAL 6 1HG1 VAL 6 -3.615 -4.633 2.886 65 2HG1 VAL 6 2HG1 VAL 6 -4.182 -6.178 3.519 66 3HG1 VAL 6 3HG1 VAL 6 -4.713 -5.629 1.929 67 1HG2 VAL 6 1HG2 VAL 6 -0.656 -5.822 1.609 68 2HG2 VAL 6 2HG2 VAL 6 -1.627 -4.517 2.290 69 3HG2 VAL 6 3HG2 VAL 6 -1.824 -4.972 0.597 70 H ARG 7 HN ARG 7 -0.080 -8.063 4.285 71 HA ARG 7 HA ARG 7 0.450 -5.735 5.711 72 1HB ARG 7 HB2 ARG 7 -0.344 -6.543 8.002 73 2HB ARG 7 HB1 ARG 7 -1.566 -5.899 6.916 74 1HG ARG 7 HG2 ARG 7 -1.761 -8.470 6.256 75 2HG ARG 7 HG1 ARG 7 -1.170 -8.655 7.909 76 1HD ARG 7 HD2 ARG 7 -3.577 -8.660 7.925 77 2HD ARG 7 HD1 ARG 7 -2.996 -7.178 8.684 78 HE ARG 7 HE ARG 7 -3.576 -6.903 5.880 79 1HH1 ARG 7 1HH1 ARG 7 -4.902 -6.784 9.107 80 2HH1 ARG 7 2HH1 ARG 7 -6.216 -5.747 8.663 81 1HH2 ARG 7 1HH2 ARG 7 -5.305 -5.541 5.294 82 2HH2 ARG 7 2HH2 ARG 7 -6.446 -5.042 6.499 83 H LYS 8 HN LYS 8 0.275 -9.252 6.254 84 HA LYS 8 HA LYS 8 2.608 -9.477 7.777 85 1HB LYS 8 HB2 LYS 8 1.247 -11.468 5.958 86 2HB LYS 8 HB1 LYS 8 2.585 -11.879 7.022 87 1HG LYS 8 HG2 LYS 8 -0.031 -10.728 7.965 88 2HG LYS 8 HG1 LYS 8 0.349 -12.451 7.929 89 1HD LYS 8 HD2 LYS 8 1.092 -12.129 10.022 90 2HD LYS 8 HD1 LYS 8 2.511 -11.425 9.245 91 1HE LYS 8 HE2 LYS 8 1.701 -9.227 9.532 92 2HE LYS 8 HE1 LYS 8 0.082 -9.796 9.940 93 1HZ LYS 8 HZ1 LYS 8 1.511 -10.966 11.851 94 2HZ LYS 8 HZ2 LYS 8 0.812 -9.435 12.023 95 3HZ LYS 8 HZ3 LYS 8 2.447 -9.577 11.611 96 H ARG 9 HN ARG 9 2.149 -9.977 4.273 97 HA ARG 9 HA ARG 9 4.830 -10.522 3.686 98 1HB ARG 9 HB2 ARG 9 4.216 -9.843 1.346 99 2HB ARG 9 HB1 ARG 9 3.175 -11.067 2.058 100 1HG ARG 9 HG2 ARG 9 2.222 -8.355 2.518 101 2HG ARG 9 HG1 ARG 9 2.352 -8.768 0.808 102 1HD ARG 9 HD2 ARG 9 1.016 -10.608 2.767 103 2HD ARG 9 HD1 ARG 9 0.144 -9.271 2.023 104 HE ARG 9 HE ARG 9 0.356 -10.323 -0.074 105 1HH1 ARG 9 1HH1 ARG 9 1.695 -12.253 2.518 106 2HH1 ARG 9 2HH1 ARG 9 1.690 -13.714 1.590 107 1HH2 ARG 9 1HH2 ARG 9 0.351 -12.247 -1.282 108 2HH2 ARG 9 2HH2 ARG 9 0.931 -13.713 -0.561 109 H THR 10 HN THR 10 3.121 -7.499 4.054 110 HA THR 10 HA THR 10 4.908 -5.756 2.851 111 HB THR 10 HB THR 10 3.223 -5.367 5.314 112 HG1 THR 10 HG1 THR 10 1.774 -4.463 3.880 113 1HG2 THR 10 1HG2 THR 10 3.801 -3.231 5.477 114 2HG2 THR 10 2HG2 THR 10 3.810 -3.009 3.727 115 3HG2 THR 10 3HG2 THR 10 5.223 -3.683 4.539 116 H LEU 11 HN LEU 11 5.052 -7.285 6.025 117 HA LEU 11 HA LEU 11 6.945 -5.841 7.345 118 1HB LEU 11 HB2 LEU 11 6.441 -8.783 7.175 119 2HB LEU 11 HB1 LEU 11 7.825 -8.203 8.081 120 HG LEU 11 HG LEU 11 6.328 -6.868 9.509 121 1HD1 LEU 11 1HD1 LEU 11 3.916 -7.183 9.381 122 2HD1 LEU 11 2HD1 LEU 11 4.115 -8.197 7.952 123 3HD1 LEU 11 3HD1 LEU 11 4.543 -6.487 7.887 124 1HD2 LEU 11 1HD2 LEU 11 5.948 -9.823 9.251 125 2HD2 LEU 11 2HD2 LEU 11 5.067 -8.913 10.479 126 3HD2 LEU 11 3HD2 LEU 11 6.831 -8.911 10.476 127 H ARG 12 HN ARG 12 7.373 -7.787 4.517 128 HA ARG 12 HA ARG 12 10.201 -7.973 4.601 129 1HB ARG 12 HB2 ARG 12 8.042 -8.667 2.757 130 2HB ARG 12 HB1 ARG 12 9.517 -8.178 1.936 131 1HG ARG 12 HG2 ARG 12 10.626 -10.037 2.541 132 2HG ARG 12 HG1 ARG 12 9.887 -10.084 4.143 133 1HD ARG 12 HD2 ARG 12 8.761 -11.850 3.336 134 2HD ARG 12 HD1 ARG 12 7.754 -10.637 2.550 135 HE ARG 12 HE ARG 12 9.677 -12.394 1.295 136 1HH1 ARG 12 1HH1 ARG 12 7.760 -9.491 0.978 137 2HH1 ARG 12 2HH1 ARG 12 7.795 -9.510 -0.753 138 1HH2 ARG 12 1HH2 ARG 12 9.722 -12.415 -0.980 139 2HH2 ARG 12 2HH2 ARG 12 8.907 -11.168 -1.863 140 H ARG 13 HN ARG 13 7.951 -5.663 3.178 141 HA ARG 13 HA ARG 13 9.994 -4.209 1.790 142 1HB ARG 13 HB2 ARG 13 8.272 -2.599 1.279 143 2HB ARG 13 HB1 ARG 13 7.607 -4.213 1.081 144 1HG ARG 13 HG2 ARG 13 6.121 -3.955 2.754 145 2HG ARG 13 HG1 ARG 13 7.216 -2.975 3.727 146 1HD ARG 13 HD2 ARG 13 6.770 -1.307 1.647 147 2HD ARG 13 HD1 ARG 13 5.231 -2.166 1.712 148 HE ARG 13 HE ARG 13 5.726 -1.447 4.300 149 1HH1 ARG 13 1HH1 ARG 13 5.473 0.271 1.273 150 2HH1 ARG 13 2HH1 ARG 13 4.889 1.727 2.004 151 1HH2 ARG 13 1HH2 ARG 13 4.957 0.467 5.263 152 2HH2 ARG 13 2HH2 ARG 13 4.596 1.839 4.269 153 H LEU 14 HN LEU 14 8.472 -4.093 4.906 154 HA LEU 14 HA LEU 14 9.413 -1.539 5.717 155 1HB LEU 14 HB2 LEU 14 7.782 -3.539 6.795 156 2HB LEU 14 HB1 LEU 14 9.125 -3.407 7.914 157 HG LEU 14 HG LEU 14 7.401 -1.092 7.029 158 1HD1 LEU 14 1HD1 LEU 14 6.716 -1.273 9.521 159 2HD1 LEU 14 2HD1 LEU 14 7.254 -2.945 9.369 160 3HD1 LEU 14 3HD1 LEU 14 5.959 -2.337 8.337 161 1HD2 LEU 14 1HD2 LEU 14 9.155 -1.080 9.436 162 2HD2 LEU 14 2HD2 LEU 14 8.620 0.260 8.422 163 3HD2 LEU 14 3HD2 LEU 14 9.884 -0.829 7.850 164 H LEU 15 HN LEU 15 10.604 -4.833 6.348 165 HA LEU 15 HA LEU 15 12.874 -4.076 7.815 166 1HB LEU 15 HB2 LEU 15 12.504 -6.539 6.117 167 2HB LEU 15 HB1 LEU 15 13.684 -6.333 7.398 168 HG LEU 15 HG LEU 15 10.816 -5.998 8.103 169 1HD1 LEU 15 1HD1 LEU 15 10.499 -8.384 8.371 170 2HD1 LEU 15 2HD1 LEU 15 12.101 -8.696 7.702 171 3HD1 LEU 15 3HD1 LEU 15 10.839 -8.003 6.682 172 1HD2 LEU 15 1HD2 LEU 15 12.190 -5.665 9.928 173 2HD2 LEU 15 2HD2 LEU 15 13.344 -6.897 9.416 174 3HD2 LEU 15 3HD2 LEU 15 11.785 -7.374 10.089 175 H GLN 16 HN GLN 16 12.294 -4.396 4.376 176 HA GLN 16 HA GLN 16 15.088 -4.089 3.705 177 1HB GLN 16 HB2 GLN 16 12.563 -4.600 2.228 178 2HB GLN 16 HB1 GLN 16 13.872 -3.834 1.338 179 1HG GLN 16 HG2 GLN 16 15.322 -5.671 1.721 180 2HG GLN 16 HG1 GLN 16 14.209 -6.386 2.887 181 1HE2 GLN 16 1HE2 GLN 16 14.517 -5.473 -0.509 182 2HE2 GLN 16 2HE2 GLN 16 13.496 -6.723 -1.124 183 H GLU 17 HN GLU 17 12.438 -2.011 4.322 184 HA GLU 17 HA GLU 17 13.474 0.160 2.698 185 1HB GLU 17 HB2 GLU 17 11.021 -0.233 3.007 186 2HB GLU 17 HB1 GLU 17 11.208 0.226 4.694 187 1HG GLU 17 HG2 GLU 17 12.384 2.285 3.214 188 2HG GLU 17 HG1 GLU 17 10.893 1.875 2.368 189 H ARG 18 HN ARG 18 14.690 -1.102 5.337 190 HA ARG 18 HA ARG 18 14.806 0.999 7.215 191 1HB ARG 18 HB2 ARG 18 16.734 -0.224 8.152 192 2HB ARG 18 HB1 ARG 18 15.366 -1.282 7.836 193 1HG ARG 18 HG2 ARG 18 16.410 -2.129 5.847 194 2HG ARG 18 HG1 ARG 18 17.731 -0.970 6.002 195 1HD ARG 18 HD2 ARG 18 18.053 -2.076 8.340 196 2HD ARG 18 HD1 ARG 18 17.143 -3.408 7.627 197 HE ARG 18 HE ARG 18 18.997 -3.965 6.422 198 1HH1 ARG 18 1HH1 ARG 18 19.346 -0.670 7.518 199 2HH1 ARG 18 2HH1 ARG 18 20.970 -0.517 6.938 200 1HH2 ARG 18 1HH2 ARG 18 21.134 -3.766 5.660 201 2HH2 ARG 18 2HH2 ARG 18 21.986 -2.275 5.883 202 H GLU 19 HN GLU 19 16.838 0.132 4.465 203 HA GLU 19 HA GLU 19 18.929 1.940 4.927 204 1HB GLU 19 HB2 GLU 19 19.364 1.724 2.473 205 2HB GLU 19 HB1 GLU 19 19.222 0.189 3.319 206 1HG GLU 19 HG2 GLU 19 16.905 -0.011 2.520 207 2HG GLU 19 HG1 GLU 19 17.104 1.496 1.626 208 H LEU 20 HN LEU 20 15.843 2.331 3.260 209 HA LEU 20 HA LEU 20 14.710 4.167 2.546 210 1HB LEU 20 HB2 LEU 20 16.547 5.606 4.462 211 2HB LEU 20 HB1 LEU 20 15.085 6.273 3.759 212 HG LEU 20 HG LEU 20 14.831 3.742 5.298 213 1HD1 LEU 20 1HD1 LEU 20 15.985 4.663 7.009 214 2HD1 LEU 20 2HD1 LEU 20 14.452 5.492 7.286 215 3HD1 LEU 20 3HD1 LEU 20 15.756 6.311 6.424 216 1HD2 LEU 20 1HD2 LEU 20 12.949 4.906 4.111 217 2HD2 LEU 20 2HD2 LEU 20 13.129 6.225 5.269 218 3HD2 LEU 20 3HD2 LEU 20 12.684 4.613 5.830 219 H VAL 21 HN VAL 21 16.918 3.323 0.978 220 HA VAL 21 HA VAL 21 17.798 5.897 -0.156 221 HB VAL 21 HB VAL 21 19.694 4.657 0.773 222 1HG1 VAL 21 1HG1 VAL 21 19.104 2.505 -1.248 223 2HG1 VAL 21 2HG1 VAL 21 18.660 2.395 0.455 224 3HG1 VAL 21 3HG1 VAL 21 20.359 2.509 -0.009 225 1HG2 VAL 21 1HG2 VAL 21 19.586 5.878 -1.633 226 2HG2 VAL 21 2HG2 VAL 21 20.188 4.289 -2.106 227 3HG2 VAL 21 3HG2 VAL 21 21.068 5.246 -0.914 228 H GLU 22 HN GLU 22 17.048 2.508 -0.972 229 HA GLU 22 HA GLU 22 15.395 3.196 -3.143 230 1HB GLU 22 HB2 GLU 22 16.859 2.272 -4.972 231 2HB GLU 22 HB1 GLU 22 17.359 3.833 -4.336 232 1HG GLU 22 HG2 GLU 22 19.263 3.011 -3.425 233 2HG GLU 22 HG1 GLU 22 18.557 1.429 -3.099 234 HA PRO 23 HA PRO 23 15.463 -1.232 -1.501 235 1HB PRO 23 HB2 PRO 23 13.219 -1.155 -0.008 236 2HB PRO 23 HB1 PRO 23 14.793 -0.670 0.634 237 1HG PRO 23 HG2 PRO 23 12.566 1.045 -0.410 238 2HG PRO 23 HG1 PRO 23 13.555 1.261 1.048 239 1HD PRO 23 HD2 PRO 23 14.031 2.605 -1.264 240 2HD PRO 23 HD1 PRO 23 15.318 2.155 -0.127 241 H LEU 24 HN LEU 24 12.626 0.737 -2.374 242 HA LEU 24 HA LEU 24 12.021 -0.919 -4.617 243 1HB LEU 24 HB2 LEU 24 9.967 -1.880 -3.921 244 2HB LEU 24 HB1 LEU 24 11.164 -2.290 -2.708 245 HG LEU 24 HG LEU 24 9.207 -0.017 -2.394 246 1HD1 LEU 24 1HD1 LEU 24 7.665 -1.382 -1.458 247 2HD1 LEU 24 2HD1 LEU 24 8.871 -2.527 -0.870 248 3HD1 LEU 24 3HD1 LEU 24 8.387 -2.550 -2.566 249 1HD2 LEU 24 1HD2 LEU 24 11.492 -0.929 -0.907 250 2HD2 LEU 24 2HD2 LEU 24 10.032 -1.064 0.070 251 3HD2 LEU 24 3HD2 LEU 24 10.475 0.487 -0.641 252 H THR 25 HN THR 25 10.844 1.497 -2.316 253 HA THR 25 HA THR 25 9.711 3.447 -2.592 254 HB THR 25 HB THR 25 10.110 3.892 -5.412 255 HG1 THR 25 HG1 THR 25 12.324 3.662 -5.496 256 1HG2 THR 25 1HG2 THR 25 10.022 5.780 -4.049 257 2HG2 THR 25 2HG2 THR 25 11.720 5.636 -4.502 258 3HG2 THR 25 3HG2 THR 25 11.187 5.117 -2.903 259 HA PRO 26 HA PRO 26 5.871 1.349 -3.932 260 1HB PRO 26 HB2 PRO 26 4.886 3.878 -2.683 261 2HB PRO 26 HB1 PRO 26 4.295 2.223 -2.490 262 1HG PRO 26 HG2 PRO 26 5.772 3.362 -0.592 263 2HG PRO 26 HG1 PRO 26 5.985 1.651 -1.008 264 1HD PRO 26 HD2 PRO 26 7.707 3.990 -1.668 265 2HD PRO 26 HD1 PRO 26 8.162 2.306 -1.344 266 H SER 27 HN SER 27 6.594 4.815 -4.257 267 HA SER 27 HA SER 27 5.075 4.843 -6.776 268 1HB SER 27 HB2 SER 27 5.459 7.437 -6.395 269 2HB SER 27 HB1 SER 27 4.164 6.579 -5.560 270 HG SER 27 HG SER 27 6.480 7.699 -4.563 271 H GLY 28 HN GLY 28 7.962 6.443 -5.409 272 1HA GLY 28 HA2 GLY 28 10.030 5.687 -6.794 273 2HA GLY 28 HA1 GLY 28 9.138 6.451 -8.100 274 H GLU 29 HN GLU 29 8.181 8.720 -7.086 275 HA GLU 29 HA GLU 29 10.484 10.373 -6.921 276 1HB GLU 29 HB2 GLU 29 7.568 10.749 -7.043 277 2HB GLU 29 HB1 GLU 29 8.429 12.013 -6.174 278 1HG GLU 29 HG2 GLU 29 8.435 12.850 -8.301 279 2HG GLU 29 HG1 GLU 29 9.979 12.001 -8.269 280 H ALA 30 HN ALA 30 7.884 9.690 -4.582 281 HA ALA 30 HA ALA 30 9.604 9.502 -2.366 282 1HB ALA 30 HB1 ALA 30 9.489 12.077 -3.078 283 2HB ALA 30 HB2 ALA 30 9.644 11.552 -1.402 284 3HB ALA 30 HB3 ALA 30 8.065 12.006 -2.041 285 HA PRO 31 HA PRO 31 6.139 7.745 -0.314 286 1HB PRO 31 HB2 PRO 31 6.469 9.713 1.898 287 2HB PRO 31 HB1 PRO 31 6.393 7.948 1.963 288 1HG PRO 31 HG2 PRO 31 8.714 9.216 2.250 289 2HG PRO 31 HG1 PRO 31 8.613 7.698 1.339 290 1HD PRO 31 HD2 PRO 31 8.869 10.499 0.337 291 2HD PRO 31 HD1 PRO 31 9.572 9.000 -0.306 292 H ASN 32 HN ASN 32 6.245 11.278 -0.291 293 HA ASN 32 HA ASN 32 3.690 11.948 0.404 294 1HB ASN 32 HB2 ASN 32 5.680 13.441 -0.333 295 2HB ASN 32 HB1 ASN 32 4.996 13.286 -1.948 296 1HD2 ASN 32 1HD2 ASN 32 4.037 14.076 1.371 297 2HD2 ASN 32 2HD2 ASN 32 2.931 15.330 0.935 298 H GLN 33 HN GLN 33 4.790 10.684 -2.688 299 HA GLN 33 HA GLN 33 2.488 11.128 -4.207 300 1HB GLN 33 HB2 GLN 33 4.288 8.719 -4.423 301 2HB GLN 33 HB1 GLN 33 3.246 9.379 -5.675 302 1HG GLN 33 HG2 GLN 33 5.519 10.926 -4.469 303 2HG GLN 33 HG1 GLN 33 5.702 9.890 -5.883 304 1HE2 GLN 33 1HE2 GLN 33 5.499 12.960 -5.082 305 2HE2 GLN 33 2HE2 GLN 33 4.634 13.609 -6.430 306 H ALA 34 HN ALA 34 3.077 8.847 -1.669 307 HA ALA 34 HA ALA 34 1.018 7.004 -2.297 308 1HB ALA 34 HB1 ALA 34 2.998 7.022 -0.462 309 2HB ALA 34 HB2 ALA 34 1.585 5.971 -0.360 310 3HB ALA 34 HB3 ALA 34 1.630 7.480 0.554 311 H LEU 35 HN LEU 35 1.193 9.666 0.040 312 HA LEU 35 HA LEU 35 -1.591 9.695 0.603 313 1HB LEU 35 HB2 LEU 35 0.270 12.051 0.857 314 2HB LEU 35 HB1 LEU 35 -1.184 11.725 1.780 315 HG LEU 35 HG LEU 35 0.900 9.666 2.037 316 1HD1 LEU 35 1HD1 LEU 35 2.132 11.908 1.884 317 2HD1 LEU 35 2HD1 LEU 35 2.451 10.882 3.283 318 3HD1 LEU 35 3HD1 LEU 35 1.379 12.274 3.436 319 1HD2 LEU 35 1HD2 LEU 35 -1.157 11.019 3.674 320 2HD2 LEU 35 2HD2 LEU 35 0.267 10.417 4.524 321 3HD2 LEU 35 3HD2 LEU 35 -0.725 9.312 3.574 322 H LEU 36 HN LEU 36 0.464 11.170 -1.795 323 HA LEU 36 HA LEU 36 -1.191 13.177 -2.754 324 1HB LEU 36 HB2 LEU 36 1.264 12.299 -3.416 325 2HB LEU 36 HB1 LEU 36 0.353 11.680 -4.780 326 HG LEU 36 HG LEU 36 -0.561 14.224 -4.716 327 1HD1 LEU 36 1HD1 LEU 36 2.345 14.485 -3.994 328 2HD1 LEU 36 2HD1 LEU 36 1.046 14.674 -2.816 329 3HD1 LEU 36 3HD1 LEU 36 1.150 15.765 -4.199 330 1HD2 LEU 36 1HD2 LEU 36 1.885 13.131 -6.093 331 2HD2 LEU 36 2HD2 LEU 36 1.125 14.668 -6.505 332 3HD2 LEU 36 3HD2 LEU 36 0.231 13.160 -6.703 333 H ARG 37 HN ARG 37 -1.129 9.714 -3.635 334 HA ARG 37 HA ARG 37 -3.540 10.211 -5.234 335 1HB ARG 37 HB2 ARG 37 -3.089 8.081 -6.316 336 2HB ARG 37 HB1 ARG 37 -1.676 9.122 -6.403 337 1HG ARG 37 HG2 ARG 37 -0.441 7.538 -5.484 338 2HG ARG 37 HG1 ARG 37 -1.460 7.564 -4.043 339 1HD ARG 37 HD2 ARG 37 -1.561 5.348 -4.776 340 2HD ARG 37 HD1 ARG 37 -3.056 6.070 -5.371 341 HE ARG 37 HE ARG 37 -2.323 5.745 -7.517 342 1HH1 ARG 37 1HH1 ARG 37 0.372 5.375 -5.331 343 2HH1 ARG 37 2HH1 ARG 37 1.445 4.784 -6.555 344 1HH2 ARG 37 1HH2 ARG 37 -0.914 4.966 -9.128 345 2HH2 ARG 37 2HH2 ARG 37 0.715 4.552 -8.712 346 H ILE 38 HN ILE 38 -2.646 8.974 -2.191 347 HA ILE 38 HA ILE 38 -4.675 6.943 -2.076 348 HB ILE 38 HB ILE 38 -2.931 8.222 0.015 349 1HG1 ILE 38 2HG1 ILE 38 -3.100 5.314 -0.675 350 2HG1 ILE 38 1HG1 ILE 38 -2.226 6.413 -1.735 351 1HG2 ILE 38 1HG2 ILE 38 -5.358 6.564 0.380 352 2HG2 ILE 38 2HG2 ILE 38 -4.644 7.778 1.441 353 3HG2 ILE 38 3HG2 ILE 38 -3.954 6.156 1.367 354 1HD1 ILE 38 1HD1 ILE 38 -1.321 6.983 0.843 355 2HD1 ILE 38 2HD1 ILE 38 -0.457 6.135 -0.439 356 3HD1 ILE 38 3HD1 ILE 38 -1.403 5.224 0.738 357 H LEU 39 HN LEU 39 -4.348 10.160 -0.590 358 HA LEU 39 HA LEU 39 -7.003 10.158 0.449 359 1HB LEU 39 HB2 LEU 39 -4.919 12.289 0.079 360 2HB LEU 39 HB1 LEU 39 -6.529 12.685 0.647 361 HG LEU 39 HG LEU 39 -6.020 10.817 2.435 362 1HD1 LEU 39 1HD1 LEU 39 -3.467 11.297 2.993 363 2HD1 LEU 39 2HD1 LEU 39 -3.383 11.435 1.237 364 3HD1 LEU 39 3HD1 LEU 39 -3.974 9.948 1.978 365 1HD2 LEU 39 1HD2 LEU 39 -6.511 13.051 3.074 366 2HD2 LEU 39 2HD2 LEU 39 -4.970 13.637 2.450 367 3HD2 LEU 39 3HD2 LEU 39 -5.007 12.605 3.880 368 H LYS 40 HN LYS 40 -5.731 10.634 -2.632 369 HA LYS 40 HA LYS 40 -7.970 12.300 -3.524 370 1HB LYS 40 HB2 LYS 40 -5.399 11.447 -4.847 371 2HB LYS 40 HB1 LYS 40 -6.679 12.282 -5.716 372 1HG LYS 40 HG2 LYS 40 -4.832 13.741 -4.911 373 2HG LYS 40 HG1 LYS 40 -6.440 14.223 -4.372 374 1HD LYS 40 HD2 LYS 40 -5.816 14.071 -2.235 375 2HD LYS 40 HD1 LYS 40 -5.274 12.412 -2.472 376 1HE LYS 40 HE2 LYS 40 -3.178 13.024 -2.339 377 2HE LYS 40 HE1 LYS 40 -3.389 14.161 -3.667 378 1HZ LYS 40 HZ1 LYS 40 -3.386 14.645 -0.793 379 2HZ LYS 40 HZ2 LYS 40 -4.483 15.553 -1.706 380 3HZ LYS 40 HZ3 LYS 40 -2.830 15.626 -2.055 381 H GLU 41 HN GLU 41 -6.562 9.128 -3.936 382 HA GLU 41 HA GLU 41 -8.659 8.371 -5.827 383 1HB GLU 41 HB2 GLU 41 -7.331 6.528 -6.370 384 2HB GLU 41 HB1 GLU 41 -6.143 7.778 -6.008 385 1HG GLU 41 HG2 GLU 41 -5.228 6.121 -4.798 386 2HG GLU 41 HG1 GLU 41 -6.355 6.720 -3.582 387 H THR 42 HN THR 42 -8.299 8.576 -2.586 388 HA THR 42 HA THR 42 -10.336 6.526 -2.124 389 HB THR 42 HB THR 42 -7.963 7.065 -0.335 390 HG1 THR 42 HG1 THR 42 -7.114 5.843 -1.862 391 1HG2 THR 42 1HG2 THR 42 -9.214 4.573 0.177 392 2HG2 THR 42 2HG2 THR 42 -10.434 5.844 0.257 393 3HG2 THR 42 3HG2 THR 42 -8.989 5.945 1.262 394 H GLU 43 HN GLU 43 -9.816 9.666 -2.242 395 HA GLU 43 HA GLU 43 -10.319 10.930 0.102 396 1HB GLU 43 HB2 GLU 43 -11.781 12.530 -1.289 397 2HB GLU 43 HB1 GLU 43 -10.102 12.334 -1.757 398 1HG GLU 43 HG2 GLU 43 -11.161 10.463 -3.319 399 2HG GLU 43 HG1 GLU 43 -12.573 11.503 -3.150 400 H PHE 44 HN PHE 44 -12.947 9.846 -2.080 401 HA PHE 44 HA PHE 44 -14.797 9.995 0.160 402 1HB PHE 44 HB2 PHE 44 -15.031 10.029 -2.785 403 2HB PHE 44 HB1 PHE 44 -16.337 9.221 -1.925 404 HD1 PHE 44 HD1 PHE 44 -18.166 10.613 -1.929 405 HD2 PHE 44 HD2 PHE 44 -14.326 12.251 -1.104 406 HE1 PHE 44 HE1 PHE 44 -19.202 12.794 -1.455 407 HE2 PHE 44 HE2 PHE 44 -15.355 14.435 -0.628 408 HZ PHE 44 HZ PHE 44 -17.796 14.708 -0.803 409 H LYS 45 HN LYS 45 -13.031 7.658 -1.665 410 HA LYS 45 HA LYS 45 -14.696 5.424 -1.420 411 1HB LYS 45 HB2 LYS 45 -11.686 5.338 -1.235 412 2HB LYS 45 HB1 LYS 45 -12.763 4.090 -1.844 413 1HG LYS 45 HG2 LYS 45 -12.117 6.732 -3.129 414 2HG LYS 45 HG1 LYS 45 -11.689 5.119 -3.702 415 1HD LYS 45 HD2 LYS 45 -14.049 4.603 -4.052 416 2HD LYS 45 HD1 LYS 45 -14.498 6.197 -3.439 417 1HE LYS 45 HE2 LYS 45 -14.483 6.748 -5.626 418 2HE LYS 45 HE1 LYS 45 -12.748 6.907 -5.358 419 1HZ LYS 45 HZ1 LYS 45 -12.758 4.393 -5.967 420 2HZ LYS 45 HZ2 LYS 45 -12.808 5.559 -7.191 421 3HZ LYS 45 HZ3 LYS 45 -14.226 4.767 -6.722 422 H LYS 46 HN LYS 46 -12.137 6.571 0.753 423 HA LYS 46 HA LYS 46 -12.438 4.530 2.672 424 1HB LYS 46 HB2 LYS 46 -11.103 5.973 4.143 425 2HB LYS 46 HB1 LYS 46 -10.412 5.854 2.533 426 1HG LYS 46 HG2 LYS 46 -11.865 8.057 2.184 427 2HG LYS 46 HG1 LYS 46 -11.602 8.174 3.924 428 1HD LYS 46 HD2 LYS 46 -9.169 7.464 2.523 429 2HD LYS 46 HD1 LYS 46 -9.853 8.970 1.912 430 1HE LYS 46 HE2 LYS 46 -8.436 9.627 3.659 431 2HE LYS 46 HE1 LYS 46 -10.055 9.672 4.354 432 1HZ LYS 46 HZ1 LYS 46 -9.605 7.969 5.737 433 2HZ LYS 46 HZ2 LYS 46 -8.002 8.463 5.517 434 3HZ LYS 46 HZ3 LYS 46 -8.616 7.161 4.627 435 H ILE 47 HN ILE 47 -13.877 7.774 2.485 436 HA ILE 47 HA ILE 47 -15.038 7.638 5.066 437 HB ILE 47 HB ILE 47 -16.297 9.614 4.493 438 1HG1 ILE 47 2HG1 ILE 47 -15.416 9.029 1.664 439 2HG1 ILE 47 1HG1 ILE 47 -17.065 9.118 2.269 440 1HG2 ILE 47 1HG2 ILE 47 -13.624 9.458 4.678 441 2HG2 ILE 47 2HG2 ILE 47 -14.501 10.980 4.512 442 3HG2 ILE 47 3HG2 ILE 47 -13.774 10.221 3.095 443 1HD1 ILE 47 1HD1 ILE 47 -16.681 11.105 1.072 444 2HD1 ILE 47 2HD1 ILE 47 -15.126 11.368 1.861 445 3HD1 ILE 47 3HD1 ILE 47 -16.621 11.541 2.779 446 H LYS 48 HN LYS 48 -16.544 7.257 1.832 447 HA LYS 48 HA LYS 48 -19.110 6.700 2.708 448 1HB LYS 48 HB2 LYS 48 -19.402 5.468 0.566 449 2HB LYS 48 HB1 LYS 48 -18.675 7.056 0.369 450 1HG LYS 48 HG2 LYS 48 -17.092 6.075 -0.829 451 2HG LYS 48 HG1 LYS 48 -16.515 5.338 0.665 452 1HD LYS 48 HD2 LYS 48 -16.825 3.593 -0.942 453 2HD LYS 48 HD1 LYS 48 -18.111 3.456 0.260 454 1HE LYS 48 HE2 LYS 48 -19.681 3.716 -1.294 455 2HE LYS 48 HE1 LYS 48 -18.918 5.185 -1.898 456 1HZ LYS 48 HZ1 LYS 48 -18.314 2.393 -2.699 457 2HZ LYS 48 HZ2 LYS 48 -17.376 3.721 -3.161 458 3HZ LYS 48 HZ3 LYS 48 -18.989 3.612 -3.659 459 H VAL 49 HN VAL 49 -16.325 4.571 2.439 460 HA VAL 49 HA VAL 49 -17.753 2.175 3.056 461 HB VAL 49 HB VAL 49 -14.792 2.755 3.227 462 1HG1 VAL 49 1HG1 VAL 49 -14.896 0.814 4.415 463 2HG1 VAL 49 2HG1 VAL 49 -14.884 0.132 2.789 464 3HG1 VAL 49 3HG1 VAL 49 -16.406 0.304 3.661 465 1HG2 VAL 49 1HG2 VAL 49 -16.119 1.206 1.040 466 2HG2 VAL 49 2HG2 VAL 49 -14.574 2.056 1.032 467 3HG2 VAL 49 3HG2 VAL 49 -16.081 2.969 0.981 468 H LEU 50 HN LEU 50 -15.907 4.524 4.942 469 HA LEU 50 HA LEU 50 -16.041 2.977 7.359 470 1HB LEU 50 HB2 LEU 50 -15.247 5.838 6.831 471 2HB LEU 50 HB1 LEU 50 -15.165 5.081 8.410 472 HG LEU 50 HG LEU 50 -13.711 3.897 6.067 473 1HD1 LEU 50 1HD1 LEU 50 -13.212 6.423 6.600 474 2HD1 LEU 50 2HD1 LEU 50 -11.903 5.280 6.291 475 3HD1 LEU 50 3HD1 LEU 50 -12.310 5.728 7.947 476 1HD2 LEU 50 1HD2 LEU 50 -12.194 3.435 8.217 477 2HD2 LEU 50 2HD2 LEU 50 -13.513 2.371 7.729 478 3HD2 LEU 50 3HD2 LEU 50 -13.768 3.561 9.005 479 H GLY 51 HN GLY 51 -17.940 5.480 5.848 480 1HA GLY 51 HA2 GLY 51 -19.571 5.783 8.266 481 2HA GLY 51 HA1 GLY 51 -19.635 6.816 6.846 482 H SER 52 HN SER 52 -19.607 3.347 6.569 483 HA SER 52 HA SER 52 -21.946 3.288 5.001 484 1HB SER 52 HB2 SER 52 -20.114 1.274 6.182 485 2HB SER 52 HB1 SER 52 -21.728 0.709 5.753 486 HG SER 52 HG SER 52 -21.318 1.044 3.680 487 H GLY 53 HN GLY 53 -21.386 2.932 8.432 488 1HA GLY 53 HA2 GLY 53 -24.154 2.090 8.878 489 2HA GLY 53 HA1 GLY 53 -22.881 2.149 10.088
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