NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15934 | 1z5f | 5787 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HN PCA 1 H PCA 1 -6.583 8.818 1.216 2 HA PCA 1 HA PCA 1 -7.588 11.116 2.124 3 1HB PCA 1 1HB PCA 1 -5.954 12.581 2.722 4 2HB PCA 1 2HB PCA 1 -5.106 12.345 1.211 5 1HG PCA 1 1HG PCA 1 -4.875 11.033 3.742 6 2HG PCA 1 2HG PCA 1 -3.729 11.151 2.388 7 H ASP 2 H ASP 2 -5.946 9.742 -0.550 8 HA ASP 2 HA ASP 2 -7.885 10.829 -2.394 9 1HB ASP 2 2HB ASP 2 -5.152 12.078 -2.219 10 2HB ASP 2 1HB ASP 2 -5.934 11.936 -3.794 11 H TRP 3 H TRP 3 -8.046 9.315 -4.003 12 HA TRP 3 HA TRP 3 -6.607 6.932 -4.024 13 1HB TRP 3 2HB TRP 3 -8.584 6.960 -5.305 14 2HB TRP 3 1HB TRP 3 -8.093 8.401 -6.188 15 HD1 TRP 3 HD TRP 3 -7.960 7.612 -8.594 16 HE1 TRP 3 1HE TRP 3 -6.687 5.765 -9.857 17 HE3 TRP 3 3HE TRP 3 -5.980 5.010 -4.646 18 HZ2 TRP 3 2HZ TRP 3 -5.059 3.496 -9.285 19 HZ3 TRP 3 3HZ TRP 3 -4.580 3.015 -5.046 20 HH2 TRP 3 HH TRP 3 -4.116 2.251 -7.357 21 H GLU 4 H GLU 4 -5.737 10.011 -5.473 22 HA GLU 4 HA GLU 4 -3.640 9.077 -7.176 23 1HB GLU 4 2HB GLU 4 -3.824 11.716 -5.686 24 2HB GLU 4 1HB GLU 4 -2.794 11.384 -7.078 25 1HG GLU 4 2HG GLU 4 -4.853 10.841 -8.402 26 2HG GLU 4 1HG GLU 4 -5.824 11.355 -7.022 27 H THR 5 H THR 5 -2.927 10.967 -4.235 28 HA THR 5 HA THR 5 -0.346 9.945 -3.856 29 HB THR 5 HB THR 5 -1.327 11.840 -2.569 30 HG1 THR 5 1HG THR 5 0.164 11.464 -1.158 31 1HG2 THR 5 1HG2 THR 5 -3.475 10.464 -2.092 32 2HG2 THR 5 2HG2 THR 5 -2.867 11.518 -0.818 33 3HG2 THR 5 3HG2 THR 5 -2.558 9.783 -0.748 34 H PHE 6 H PHE 6 -3.396 8.713 -2.457 35 HA PHE 6 HA PHE 6 -2.375 6.555 -0.990 36 1HB PHE 6 2HB PHE 6 -4.836 7.334 -1.319 37 2HB PHE 6 1HB PHE 6 -4.834 6.262 -2.718 38 HD1 PHE 6 1HD PHE 6 -4.496 6.425 0.966 39 HD2 PHE 6 2HD PHE 6 -4.787 3.862 -2.469 40 HE1 PHE 6 1HE PHE 6 -4.881 4.477 2.450 41 HE2 PHE 6 2HE PHE 6 -5.170 1.914 -0.984 42 HZ PHE 6 HZ PHE 6 -5.219 2.221 1.475 43 H GLN 7 H GLN 7 -2.504 7.046 -4.426 44 HA GLN 7 HA GLN 7 -1.890 4.212 -4.997 45 1HB GLN 7 2HB GLN 7 -3.386 5.483 -6.523 46 2HB GLN 7 1HB GLN 7 -2.064 6.593 -6.873 47 1HG GLN 7 2HG GLN 7 -1.698 3.631 -7.265 48 2HG GLN 7 1HG GLN 7 -2.496 4.602 -8.503 49 1HE2 GLN 7 1HE2 GLN 7 -1.072 6.943 -8.579 50 2HE2 GLN 7 2HE2 GLN 7 0.566 6.652 -8.922 51 H LYS 8 H LYS 8 -0.286 7.218 -4.439 52 HA LYS 8 HA LYS 8 2.197 6.362 -5.788 53 1HB LYS 8 2HB LYS 8 1.729 8.804 -4.062 54 2HB LYS 8 1HB LYS 8 3.036 8.550 -5.217 55 1HG LYS 8 2HG LYS 8 0.195 8.375 -6.185 56 2HG LYS 8 1HG LYS 8 0.903 9.963 -5.905 57 1HD LYS 8 2HD LYS 8 2.750 9.448 -7.422 58 2HD LYS 8 1HD LYS 8 2.135 7.810 -7.649 59 1HE LYS 8 2HE LYS 8 -0.003 8.821 -8.527 60 2HE LYS 8 1HE LYS 8 0.789 10.395 -8.475 61 1HZ LYS 8 1HZ LYS 8 1.315 9.796 -10.579 62 2HZ LYS 8 2HZ LYS 8 1.263 8.129 -10.252 63 3HZ LYS 8 3HZ LYS 8 2.617 9.046 -9.791 64 H LYS 9 H LYS 9 1.243 7.203 -2.426 65 HA LYS 9 HA LYS 9 3.791 6.120 -1.437 66 1HB LYS 9 2HB LYS 9 3.078 6.928 0.731 67 2HB LYS 9 1HB LYS 9 2.741 8.173 -0.471 68 1HG LYS 9 2HG LYS 9 0.387 7.097 -0.628 69 2HG LYS 9 1HG LYS 9 0.801 6.310 0.895 70 1HD LYS 9 2HD LYS 9 1.336 8.571 1.847 71 2HD LYS 9 1HD LYS 9 0.727 9.292 0.357 72 1HE LYS 9 2HE LYS 9 -1.445 8.051 0.762 73 2HE LYS 9 1HE LYS 9 -0.820 7.625 2.356 74 1HZ LYS 9 1HZ LYS 9 -0.541 10.413 1.748 75 2HZ LYS 9 2HZ LYS 9 -1.205 9.663 3.120 76 3HZ LYS 9 3HZ LYS 9 -2.159 9.904 1.735 77 H HIS 10 H HIS 10 0.319 5.301 -0.960 78 HA HIS 10 HA HIS 10 1.002 2.948 0.599 79 1HB HIS 10 2HB HIS 10 -1.546 4.009 -0.597 80 2HB HIS 10 1HB HIS 10 -1.494 2.394 0.104 81 HD1 HIS 10 1HD HIS 10 -0.218 2.461 2.640 82 HD2 HIS 10 2HD HIS 10 -2.188 5.888 1.309 83 HE1 HIS 10 1HE HIS 10 -0.675 3.871 4.696 84 HE2 HIS 10 2HE HIS 10 -1.873 5.958 3.897 85 H LEU 11 H LEU 11 1.047 3.534 -2.769 86 HA LEU 11 HA LEU 11 1.047 0.563 -3.243 87 1HB LEU 11 2HB LEU 11 -0.391 2.744 -4.645 88 2HB LEU 11 1HB LEU 11 0.407 1.585 -5.699 89 HG LEU 11 HG LEU 11 -0.728 -0.255 -4.405 90 1HD1 LEU 11 1HD1 LEU 11 -1.304 0.744 -2.340 91 2HD1 LEU 11 2HD1 LEU 11 -2.843 0.602 -3.178 92 3HD1 LEU 11 3HD1 LEU 11 -2.012 2.156 -3.115 93 1HD2 LEU 11 1HD2 LEU 11 -2.322 1.834 -5.892 94 2HD2 LEU 11 2HD2 LEU 11 -3.034 0.304 -5.379 95 3HD2 LEU 11 3HD2 LEU 11 -1.678 0.312 -6.508 96 H THR 12 H THR 12 2.466 -0.146 -4.959 97 HA THR 12 HA THR 12 4.495 1.854 -5.843 98 HB THR 12 HB THR 12 5.548 0.828 -3.930 99 HG1 THR 12 1HG THR 12 6.967 1.024 -5.577 100 1HG2 THR 12 1HG2 THR 12 5.105 -1.281 -3.271 101 2HG2 THR 12 2HG2 THR 12 5.651 -1.927 -4.814 102 3HG2 THR 12 3HG2 THR 12 3.976 -1.416 -4.616 103 H ASP 13 H ASP 13 6.152 0.137 -7.267 104 HA ASP 13 HA ASP 13 4.235 -1.087 -9.224 105 1HB ASP 13 2HB ASP 13 6.810 0.431 -9.697 106 2HB ASP 13 1HB ASP 13 5.977 -0.489 -10.951 107 H THR 14 H THR 14 6.006 -2.284 -6.928 108 HA THR 14 HA THR 14 6.745 -4.643 -8.474 109 HB THR 14 HB THR 14 8.686 -3.156 -8.915 110 HG1 THR 14 1HG THR 14 8.701 -5.596 -8.167 111 1HG2 THR 14 1HG2 THR 14 9.135 -3.320 -5.926 112 2HG2 THR 14 2HG2 THR 14 8.487 -1.902 -6.751 113 3HG2 THR 14 3HG2 THR 14 10.126 -2.454 -7.099 114 H LYS 15 H LYS 15 7.331 -6.433 -7.104 115 HA LYS 15 HA LYS 15 6.128 -6.305 -4.460 116 1HB LYS 15 2HB LYS 15 7.807 -8.506 -5.710 117 2HB LYS 15 1HB LYS 15 6.759 -8.668 -4.301 118 1HG LYS 15 2HG LYS 15 4.789 -8.233 -5.627 119 2HG LYS 15 1HG LYS 15 5.770 -7.810 -7.032 120 1HD LYS 15 2HD LYS 15 6.625 -10.096 -7.169 121 2HD LYS 15 1HD LYS 15 5.740 -10.538 -5.708 122 1HE LYS 15 2HE LYS 15 3.625 -9.779 -6.963 123 2HE LYS 15 1HE LYS 15 4.622 -9.810 -8.418 124 1HZ LYS 15 1HZ LYS 15 4.854 -12.061 -8.329 125 2HZ LYS 15 2HZ LYS 15 3.306 -11.914 -7.644 126 3HZ LYS 15 3HZ LYS 15 4.662 -12.142 -6.646 127 H LYS 16 H LYS 16 9.297 -5.870 -5.762 128 HA LYS 16 HA LYS 16 10.454 -5.886 -2.997 129 1HB LYS 16 2HB LYS 16 12.058 -6.087 -5.549 130 2HB LYS 16 1HB LYS 16 12.547 -6.519 -3.912 131 1HG LYS 16 2HG LYS 16 12.064 -8.638 -4.672 132 2HG LYS 16 1HG LYS 16 10.441 -8.182 -4.158 133 1HD LYS 16 2HD LYS 16 10.028 -8.927 -6.328 134 2HD LYS 16 1HD LYS 16 10.260 -7.201 -6.605 135 1HE LYS 16 2HE LYS 16 12.760 -7.801 -6.948 136 2HE LYS 16 1HE LYS 16 12.191 -9.461 -7.120 137 1HZ LYS 16 1HZ LYS 16 12.371 -8.123 -9.226 138 2HZ LYS 16 2HZ LYS 16 11.046 -7.214 -8.672 139 3HZ LYS 16 3HZ LYS 16 10.876 -8.880 -8.960 140 H VAL 17 H VAL 17 9.272 -3.628 -3.245 141 HA VAL 17 HA VAL 17 10.226 -1.570 -4.893 142 HB VAL 17 HB VAL 17 9.565 -0.007 -3.104 143 1HG1 VAL 17 1HG1 VAL 17 7.280 -0.540 -3.146 144 2HG1 VAL 17 2HG1 VAL 17 7.594 -2.272 -3.084 145 3HG1 VAL 17 3HG1 VAL 17 7.915 -1.376 -4.563 146 1HG2 VAL 17 1HG2 VAL 17 10.406 -1.075 -1.137 147 2HG2 VAL 17 2HG2 VAL 17 9.511 -2.557 -1.474 148 3HG2 VAL 17 3HG2 VAL 17 8.650 -1.100 -0.977 149 H LYS 18 H LYS 18 11.592 0.300 -4.131 150 HA LYS 18 HA LYS 18 14.126 -0.789 -3.030 151 1HB LYS 18 2HB LYS 18 15.010 1.495 -3.840 152 2HB LYS 18 1HB LYS 18 14.517 0.350 -5.088 153 1HG LYS 18 2HG LYS 18 12.372 1.451 -5.340 154 2HG LYS 18 1HG LYS 18 12.704 2.503 -3.965 155 1HD LYS 18 2HD LYS 18 13.228 3.879 -5.793 156 2HD LYS 18 1HD LYS 18 14.805 3.235 -5.337 157 1HE LYS 18 2HE LYS 18 14.425 3.110 -7.790 158 2HE LYS 18 1HE LYS 18 14.633 1.512 -7.074 159 1HZ LYS 18 1HZ LYS 18 12.394 1.045 -7.255 160 2HZ LYS 18 2HZ LYS 18 12.690 1.911 -8.687 161 3HZ LYS 18 3HZ LYS 18 11.942 2.676 -7.367 162 H CYS 19 H CYS 19 12.680 -0.739 -0.972 163 HA CYS 19 HA CYS 19 11.690 1.314 0.443 164 1HB CYS 19 2HB CYS 19 13.664 -0.770 1.373 165 2HB CYS 19 1HB CYS 19 12.913 0.363 2.496 166 H ASP 20 H ASP 20 15.191 0.854 -0.052 167 HA ASP 20 HA ASP 20 16.243 2.845 1.579 168 1HB ASP 20 2HB ASP 20 17.688 1.413 0.248 169 2HB ASP 20 1HB ASP 20 17.066 2.114 -1.246 170 H VAL 21 H VAL 21 14.743 3.251 -1.614 171 HA VAL 21 HA VAL 21 14.956 6.209 -1.293 172 HB VAL 21 HB VAL 21 13.903 4.807 -3.740 173 1HG1 VAL 21 1HG1 VAL 21 13.710 7.248 -3.622 174 2HG1 VAL 21 2HG1 VAL 21 14.902 6.798 -4.840 175 3HG1 VAL 21 3HG1 VAL 21 15.432 7.382 -3.263 176 1HG2 VAL 21 1HG2 VAL 21 16.790 5.163 -2.900 177 2HG2 VAL 21 2HG2 VAL 21 16.304 4.886 -4.573 178 3HG2 VAL 21 3HG2 VAL 21 15.979 3.662 -3.346 179 H GLU 22 H GLU 22 12.673 3.543 -1.449 180 HA GLU 22 HA GLU 22 10.287 5.051 -1.871 181 1HB GLU 22 2HB GLU 22 10.891 2.374 -1.464 182 2HB GLU 22 1HB GLU 22 9.996 2.793 -0.004 183 1HG GLU 22 2HG GLU 22 8.384 2.067 -1.639 184 2HG GLU 22 1HG GLU 22 8.228 3.820 -1.500 185 H MET 23 H MET 23 12.512 5.183 0.611 186 HA MET 23 HA MET 23 10.528 6.504 2.425 187 1HB MET 23 2HB MET 23 12.901 4.807 3.261 188 2HB MET 23 1HB MET 23 11.795 5.645 4.349 189 1HG MET 23 2HG MET 23 9.912 4.312 3.311 190 2HG MET 23 1HG MET 23 11.136 3.368 2.466 191 1HE MET 23 1HE MET 23 9.833 4.791 5.562 192 2HE MET 23 2HE MET 23 11.359 4.705 6.435 193 3HE MET 23 3HE MET 23 10.056 3.594 6.844 194 H ALA 24 H ALA 24 13.931 6.260 1.397 195 HA ALA 24 HA ALA 24 14.652 8.742 2.759 196 1HB ALA 24 1HB ALA 24 16.219 6.774 2.190 197 2HB ALA 24 2HB ALA 24 16.831 8.400 1.892 198 3HB ALA 24 3HB ALA 24 16.235 7.425 0.550 199 H LYS 25 H LYS 25 12.789 8.178 0.100 200 HA LYS 25 HA LYS 25 13.817 9.986 -1.838 201 1HB LYS 25 2HB LYS 25 11.304 10.191 -2.499 202 2HB LYS 25 1HB LYS 25 12.100 8.633 -2.650 203 1HG LYS 25 2HG LYS 25 11.222 8.246 -0.200 204 2HG LYS 25 1HG LYS 25 10.096 9.538 -0.599 205 1HD LYS 25 2HD LYS 25 10.480 7.184 -2.451 206 2HD LYS 25 1HD LYS 25 9.364 7.093 -1.092 207 1HE LYS 25 2HE LYS 25 8.326 9.252 -1.979 208 2HE LYS 25 1HE LYS 25 9.280 8.999 -3.438 209 1HZ LYS 25 1HZ LYS 25 8.195 6.965 -3.853 210 2HZ LYS 25 2HZ LYS 25 6.967 8.075 -3.477 211 3HZ LYS 25 3HZ LYS 25 7.470 6.938 -2.321 212 H ALA 26 H ALA 26 10.975 11.498 -1.609 213 HA ALA 26 HA ALA 26 12.060 13.607 0.227 214 1HB ALA 26 1HB ALA 26 10.350 14.028 -2.235 215 2HB ALA 26 2HB ALA 26 12.105 14.200 -2.203 216 3HB ALA 26 3HB ALA 26 11.096 15.277 -1.238 217 H LEU 27 H LEU 27 9.136 11.897 -0.840 218 HA LEU 27 HA LEU 27 7.414 13.558 0.836 219 1HB LEU 27 2HB LEU 27 5.633 12.397 -0.078 220 2HB LEU 27 1HB LEU 27 6.845 12.152 -1.328 221 HG LEU 27 HG LEU 27 7.460 9.998 0.043 222 1HD1 LEU 27 1HD1 LEU 27 4.865 9.319 0.828 223 2HD1 LEU 27 2HD1 LEU 27 5.064 10.959 1.434 224 3HD1 LEU 27 3HD1 LEU 27 6.204 9.702 1.904 225 1HD2 LEU 27 1HD2 LEU 27 6.290 10.231 -2.256 226 2HD2 LEU 27 2HD2 LEU 27 4.790 9.951 -1.374 227 3HD2 LEU 27 3HD2 LEU 27 6.052 8.720 -1.379 228 H PHE 28 H PHE 28 9.596 11.136 1.574 229 HA PHE 28 HA PHE 28 8.046 10.371 4.027 230 1HB PHE 28 2HB PHE 28 10.010 8.863 2.324 231 2HB PHE 28 1HB PHE 28 9.845 8.453 4.028 232 HD1 PHE 28 1HD PHE 28 7.445 8.025 4.919 233 HD2 PHE 28 2HD PHE 28 8.481 8.019 0.753 234 HE1 PHE 28 1HE PHE 28 5.390 6.733 4.410 235 HE2 PHE 28 2HE PHE 28 6.428 6.725 0.242 236 HZ PHE 28 HZ PHE 28 4.881 6.083 2.071 237 H ASP 29 H ASP 29 11.402 10.871 2.878 238 HA ASP 29 HA ASP 29 13.078 12.206 3.892 239 1HB ASP 29 2HB ASP 29 10.981 13.301 5.111 240 2HB ASP 29 1HB ASP 29 11.585 12.377 6.487 241 H CYS 30 H CYS 30 12.911 9.356 3.900 242 HA CYS 30 HA CYS 30 13.911 7.494 4.911 243 1HB CYS 30 2HB CYS 30 15.914 8.866 4.709 244 2HB CYS 30 1HB CYS 30 15.520 9.717 6.200 245 H LYS 31 H LYS 31 11.699 7.357 6.092 246 HA LYS 31 HA LYS 31 11.686 8.123 8.912 247 1HB LYS 31 2HB LYS 31 9.863 6.126 7.548 248 2HB LYS 31 1HB LYS 31 9.535 7.039 9.013 249 1HG LYS 31 2HG LYS 31 9.893 8.207 6.241 250 2HG LYS 31 1HG LYS 31 8.357 8.013 7.078 251 1HD LYS 31 2HD LYS 31 10.663 9.809 7.875 252 2HD LYS 31 1HD LYS 31 9.059 10.302 7.344 253 1HE LYS 31 2HE LYS 31 8.225 8.893 9.389 254 2HE LYS 31 1HE LYS 31 9.878 9.094 9.971 255 1HZ LYS 31 1HZ LYS 31 7.921 10.868 10.366 256 2HZ LYS 31 2HZ LYS 31 8.629 11.498 8.956 257 3HZ LYS 31 3HZ LYS 31 9.570 11.265 10.351 258 H LYS 32 H LYS 32 10.367 5.221 9.181 259 HA LYS 32 HA LYS 32 12.887 3.678 9.511 260 1HB LYS 32 2HB LYS 32 10.978 4.486 11.693 261 2HB LYS 32 1HB LYS 32 11.841 2.951 11.812 262 1HG LYS 32 2HG LYS 32 13.970 4.032 11.746 263 2HG LYS 32 1HG LYS 32 13.251 5.569 11.265 264 1HD LYS 32 2HD LYS 32 13.857 5.529 13.681 265 2HD LYS 32 1HD LYS 32 12.127 5.758 13.429 266 1HE LYS 32 2HE LYS 32 11.617 3.544 14.055 267 2HE LYS 32 1HE LYS 32 13.276 2.996 13.810 268 1HZ LYS 32 1HZ LYS 32 12.073 4.239 16.110 269 2HZ LYS 32 2HZ LYS 32 13.558 4.935 15.663 270 3HZ LYS 32 3HZ LYS 32 13.462 3.272 16.002 271 H THR 33 H THR 33 9.363 3.761 9.378 272 HA THR 33 HA THR 33 9.415 0.897 8.510 273 HB THR 33 HB THR 33 8.511 0.981 10.789 274 HG1 THR 33 1HG THR 33 6.569 0.678 8.748 275 1HG2 THR 33 1HG2 THR 33 6.613 2.352 11.365 276 2HG2 THR 33 2HG2 THR 33 6.426 2.884 9.694 277 3HG2 THR 33 3HG2 THR 33 7.825 3.403 10.633 278 H ASN 34 H ASN 34 7.979 0.421 6.796 279 HA ASN 34 HA ASN 34 6.125 2.504 5.851 280 1HB ASN 34 2HB ASN 34 8.485 2.999 4.934 281 2HB ASN 34 1HB ASN 34 8.269 1.551 3.953 282 1HD2 ASN 34 1HD2 ASN 34 8.150 4.711 3.475 283 2HD2 ASN 34 2HD2 ASN 34 6.794 4.857 2.464 284 H THR 35 H THR 35 4.601 1.678 4.362 285 HA THR 35 HA THR 35 4.847 -1.192 3.611 286 HB THR 35 HB THR 35 2.403 0.025 4.937 287 HG1 THR 35 1HG THR 35 3.329 -2.031 6.260 288 1HG2 THR 35 1HG2 THR 35 1.650 -2.379 4.935 289 2HG2 THR 35 2HG2 THR 35 3.026 -2.750 3.896 290 3HG2 THR 35 3HG2 THR 35 1.762 -1.659 3.329 291 H PHE 36 H PHE 36 3.585 -1.742 1.750 292 HA PHE 36 HA PHE 36 2.019 0.400 0.443 293 1HB PHE 36 2HB PHE 36 4.036 -0.827 -1.367 294 2HB PHE 36 1HB PHE 36 3.379 0.801 -1.370 295 HD1 PHE 36 1HD PHE 36 5.512 -1.396 0.795 296 HD2 PHE 36 2HD PHE 36 4.808 2.536 -0.763 297 HE1 PHE 36 1HE PHE 36 7.572 -0.593 1.904 298 HE2 PHE 36 2HE PHE 36 6.868 3.347 0.350 299 HZ PHE 36 HZ PHE 36 8.255 1.780 1.676 300 H ILE 37 H ILE 37 1.289 -0.620 -1.855 301 HA ILE 37 HA ILE 37 0.710 -3.519 -1.373 302 HB ILE 37 HB ILE 37 -1.162 -1.512 -2.639 303 1HG1 ILE 37 2HG1 ILE 37 -1.625 -2.766 0.058 304 2HG1 ILE 37 1HG1 ILE 37 -0.596 -1.343 -0.053 305 1HG2 ILE 37 1HG2 ILE 37 -1.421 -4.405 -1.801 306 2HG2 ILE 37 2HG2 ILE 37 -1.600 -3.736 -3.422 307 3HG2 ILE 37 3HG2 ILE 37 -2.809 -3.388 -2.186 308 1HD1 ILE 37 1HD1 ILE 37 -3.340 -1.287 0.169 309 2HD1 ILE 37 2HD1 ILE 37 -3.109 -1.078 -1.565 310 3HD1 ILE 37 3HD1 ILE 37 -2.348 0.040 -0.431 311 H TYR 38 H TYR 38 1.113 -4.858 -3.072 312 HA TYR 38 HA TYR 38 2.181 -3.596 -5.545 313 1HB TYR 38 2HB TYR 38 3.522 -5.390 -4.556 314 2HB TYR 38 1HB TYR 38 2.142 -6.484 -4.618 315 HD1 TYR 38 1HD TYR 38 3.979 -4.165 -6.931 316 HD2 TYR 38 2HD TYR 38 2.069 -7.977 -6.404 317 HE1 TYR 38 1HE TYR 38 4.562 -4.780 -9.262 318 HE2 TYR 38 2HE TYR 38 2.654 -8.591 -8.735 319 HH TYR 38 HH TYR 38 3.183 -6.974 -10.983 320 H ALA 39 H ALA 39 0.373 -2.959 -6.738 321 HA ALA 39 HA ALA 39 -1.175 -5.127 -7.972 322 1HB ALA 39 1HB ALA 39 -2.379 -4.480 -5.804 323 2HB ALA 39 2HB ALA 39 -3.341 -4.401 -7.279 324 3HB ALA 39 3HB ALA 39 -2.697 -2.922 -6.567 325 H LEU 40 H LEU 40 -2.398 -4.338 -9.847 326 HA LEU 40 HA LEU 40 -1.102 -1.972 -11.019 327 1HB LEU 40 2HB LEU 40 -1.598 -2.875 -13.071 328 2HB LEU 40 1HB LEU 40 -1.637 -4.344 -12.104 329 HG LEU 40 HG LEU 40 -4.203 -3.629 -11.799 330 1HD1 LEU 40 1HD1 LEU 40 -5.091 -2.453 -13.636 331 2HD1 LEU 40 2HD1 LEU 40 -3.637 -2.678 -14.604 332 3HD1 LEU 40 3HD1 LEU 40 -3.630 -1.549 -13.253 333 1HD2 LEU 40 1HD2 LEU 40 -3.510 -5.764 -12.719 334 2HD2 LEU 40 2HD2 LEU 40 -2.974 -4.995 -14.212 335 3HD2 LEU 40 3HD2 LEU 40 -4.692 -5.053 -13.818 336 HA PRO 41 HA PRO 41 -4.145 1.077 -10.102 337 1HB PRO 41 2HB PRO 41 -4.255 1.632 -13.031 338 2HB PRO 41 1HB PRO 41 -3.959 2.742 -11.681 339 1HG PRO 41 2HG PRO 41 -2.012 1.812 -13.324 340 2HG PRO 41 1HG PRO 41 -1.735 2.314 -11.650 341 1HD PRO 41 2HD PRO 41 -1.647 -0.389 -12.798 342 2HD PRO 41 1HD PRO 41 -1.040 0.188 -11.232 343 H GLY 42 H GLY 42 -4.951 -0.419 -13.262 344 1HA GLY 42 2HA GLY 42 -7.727 -0.023 -13.159 345 2HA GLY 42 1HA GLY 42 -6.976 -1.371 -14.007 346 H ARG 43 H ARG 43 -5.940 -2.888 -11.981 347 HA ARG 43 HA ARG 43 -8.223 -4.250 -10.956 348 1HB ARG 43 2HB ARG 43 -5.972 -5.285 -11.326 349 2HB ARG 43 1HB ARG 43 -5.382 -4.404 -9.916 350 1HG ARG 43 2HG ARG 43 -6.857 -5.569 -8.446 351 2HG ARG 43 1HG ARG 43 -7.791 -6.226 -9.790 352 1HD ARG 43 2HD ARG 43 -6.326 -7.968 -8.932 353 2HD ARG 43 1HD ARG 43 -5.757 -7.482 -10.529 354 HE ARG 43 HE ARG 43 -4.274 -5.875 -8.888 355 1HH1 ARG 43 1HH2 ARG 43 -5.046 -9.235 -8.898 356 2HH1 ARG 43 2HH2 ARG 43 -3.557 -9.714 -8.154 357 1HH2 ARG 43 1HH1 ARG 43 -2.326 -6.482 -7.917 358 2HH2 ARG 43 2HH1 ARG 43 -2.017 -8.156 -7.599 359 H VAL 44 H VAL 44 -6.243 -1.667 -9.631 360 HA VAL 44 HA VAL 44 -7.221 -1.981 -6.908 361 HB VAL 44 HB VAL 44 -5.852 0.346 -8.288 362 1HG1 VAL 44 1HG1 VAL 44 -6.649 -0.151 -5.416 363 2HG1 VAL 44 2HG1 VAL 44 -6.976 1.269 -6.409 364 3HG1 VAL 44 3HG1 VAL 44 -5.338 0.950 -5.838 365 1HG2 VAL 44 1HG2 VAL 44 -4.674 -1.956 -7.958 366 2HG2 VAL 44 2HG2 VAL 44 -4.665 -1.534 -6.247 367 3HG2 VAL 44 3HG2 VAL 44 -3.833 -0.505 -7.414 368 H LYS 45 H LYS 45 -7.800 0.552 -9.381 369 HA LYS 45 HA LYS 45 -10.004 1.720 -7.943 370 1HB LYS 45 2HB LYS 45 -10.455 2.942 -10.008 371 2HB LYS 45 1HB LYS 45 -8.712 2.893 -9.736 372 1HG LYS 45 2HG LYS 45 -8.715 0.782 -11.209 373 2HG LYS 45 1HG LYS 45 -10.342 1.266 -11.689 374 1HD LYS 45 2HD LYS 45 -7.821 2.925 -11.987 375 2HD LYS 45 1HD LYS 45 -8.719 2.149 -13.292 376 1HE LYS 45 2HE LYS 45 -9.576 4.465 -11.555 377 2HE LYS 45 1HE LYS 45 -9.468 4.399 -13.314 378 1HZ LYS 45 1HZ LYS 45 -11.710 4.139 -12.934 379 2HZ LYS 45 2HZ LYS 45 -11.486 3.203 -11.534 380 3HZ LYS 45 3HZ LYS 45 -11.198 2.528 -13.067 381 H ALA 46 H ALA 46 -9.692 -1.069 -9.931 382 HA ALA 46 HA ALA 46 -12.476 -1.248 -10.747 383 1HB ALA 46 1HB ALA 46 -10.201 -3.244 -10.670 384 2HB ALA 46 2HB ALA 46 -10.844 -2.409 -12.083 385 3HB ALA 46 3HB ALA 46 -11.804 -3.646 -11.275 386 H LEU 47 H LEU 47 -10.521 -2.568 -8.094 387 HA LEU 47 HA LEU 47 -12.610 -4.265 -7.050 388 1HB LEU 47 2HB LEU 47 -10.104 -3.097 -5.820 389 2HB LEU 47 1HB LEU 47 -11.180 -4.182 -4.941 390 HG LEU 47 HG LEU 47 -10.142 -4.969 -7.658 391 1HD1 LEU 47 1HD1 LEU 47 -8.225 -6.065 -6.577 392 2HD1 LEU 47 2HD1 LEU 47 -8.709 -5.395 -5.019 393 3HD1 LEU 47 3HD1 LEU 47 -8.168 -4.323 -6.310 394 1HD2 LEU 47 1HD2 LEU 47 -11.866 -6.392 -6.745 395 2HD2 LEU 47 2HD2 LEU 47 -11.068 -6.443 -5.173 396 3HD2 LEU 47 3HD2 LEU 47 -10.336 -7.247 -6.559 397 H CYS 48 H CYS 48 -12.544 -0.974 -7.301 398 HA CYS 48 HA CYS 48 -14.059 -0.581 -4.746 399 1HB CYS 48 2HB CYS 48 -12.197 1.130 -6.310 400 2HB CYS 48 1HB CYS 48 -13.592 1.947 -5.615 401 H LYS 49 H LYS 49 -14.280 -0.681 -8.164 402 HA LYS 49 HA LYS 49 -16.456 1.113 -8.595 403 1HB LYS 49 2HB LYS 49 -16.619 0.153 -10.727 404 2HB LYS 49 1HB LYS 49 -14.939 -0.161 -10.297 405 1HG LYS 49 2HG LYS 49 -15.772 -2.411 -9.367 406 2HG LYS 49 1HG LYS 49 -17.267 -2.086 -10.245 407 1HD LYS 49 2HD LYS 49 -16.028 -1.899 -12.347 408 2HD LYS 49 1HD LYS 49 -14.504 -2.140 -11.493 409 1HE LYS 49 2HE LYS 49 -15.503 -4.209 -12.628 410 2HE LYS 49 1HE LYS 49 -15.055 -4.389 -10.932 411 1HZ LYS 49 1HZ LYS 49 -17.239 -5.298 -11.318 412 2HZ LYS 49 2HZ LYS 49 -17.777 -3.828 -11.979 413 3HZ LYS 49 3HZ LYS 49 -17.364 -3.923 -10.333 414 H ASN 50 H ASN 50 -18.720 0.677 -8.748 415 HA ASN 50 HA ASN 50 -20.741 -0.410 -8.245 416 1HB ASN 50 2HB ASN 50 -19.251 -2.480 -9.024 417 2HB ASN 50 1HB ASN 50 -19.334 -2.885 -7.310 418 1HD2 ASN 50 1HD2 ASN 50 -20.865 -4.590 -7.349 419 2HD2 ASN 50 2HD2 ASN 50 -22.444 -4.423 -7.950 420 H ILE 51 H ILE 51 -18.157 0.042 -6.084 421 HA ILE 51 HA ILE 51 -19.540 -0.871 -3.684 422 HB ILE 51 HB ILE 51 -17.159 0.976 -4.004 423 1HG1 ILE 51 2HG1 ILE 51 -16.714 -1.254 -4.907 424 2HG1 ILE 51 1HG1 ILE 51 -15.860 -1.060 -3.377 425 1HG2 ILE 51 1HG2 ILE 51 -17.926 1.390 -1.832 426 2HG2 ILE 51 2HG2 ILE 51 -16.771 0.082 -1.584 427 3HG2 ILE 51 3HG2 ILE 51 -18.500 -0.265 -1.616 428 1HD1 ILE 51 1HD1 ILE 51 -18.258 -2.743 -4.009 429 2HD1 ILE 51 2HD1 ILE 51 -18.083 -2.109 -2.374 430 3HD1 ILE 51 3HD1 ILE 51 -16.832 -3.144 -3.057 431 H ARG 52 H ARG 52 -19.833 0.829 -1.869 432 HA ARG 52 HA ARG 52 -21.545 2.985 -2.989 433 1HB ARG 52 2HB ARG 52 -21.275 1.786 -0.222 434 2HB ARG 52 1HB ARG 52 -22.273 3.200 -0.563 435 1HG ARG 52 2HG ARG 52 -23.649 1.172 -0.640 436 2HG ARG 52 1HG ARG 52 -23.533 1.883 -2.250 437 1HD ARG 52 2HD ARG 52 -22.132 0.200 -3.042 438 2HD ARG 52 1HD ARG 52 -21.522 -0.193 -1.435 439 HE ARG 52 HE ARG 52 -23.287 -1.733 -1.239 440 1HH1 ARG 52 1HH2 ARG 52 -23.979 0.711 -3.569 441 2HH1 ARG 52 2HH2 ARG 52 -25.480 0.002 -4.063 442 1HH2 ARG 52 1HH1 ARG 52 -25.243 -2.674 -1.870 443 2HH2 ARG 52 2HH1 ARG 52 -26.196 -1.914 -3.101 444 H ASP 53 H ASP 53 -21.471 4.797 -0.880 445 HA ASP 53 HA ASP 53 -19.185 6.387 -1.492 446 1HB ASP 53 2HB ASP 53 -19.929 7.845 0.282 447 2HB ASP 53 1HB ASP 53 -21.361 7.224 -0.542 448 H ASN 54 H ASN 54 -18.581 7.148 1.254 449 HA ASN 54 HA ASN 54 -16.222 5.583 1.632 450 1HB ASN 54 2HB ASN 54 -17.477 7.135 3.882 451 2HB ASN 54 1HB ASN 54 -15.771 6.970 3.461 452 1HD2 ASN 54 1HD2 ASN 54 -16.882 9.554 3.829 453 2HD2 ASN 54 2HD2 ASN 54 -16.947 10.347 2.330 454 H THR 55 H THR 55 -16.223 3.505 2.254 455 HA THR 55 HA THR 55 -17.723 2.720 4.672 456 HB THR 55 HB THR 55 -17.939 0.823 2.371 457 HG1 THR 55 1HG THR 55 -19.614 3.084 2.710 458 1HG2 THR 55 1HG2 THR 55 -19.921 1.655 4.501 459 2HG2 THR 55 2HG2 THR 55 -18.751 0.353 4.706 460 3HG2 THR 55 3HG2 THR 55 -20.003 0.225 3.472 461 H ASP 56 H ASP 56 -16.948 0.553 5.443 462 HA ASP 56 HA ASP 56 -14.053 0.312 4.916 463 1HB ASP 56 2HB ASP 56 -15.740 -1.267 6.873 464 2HB ASP 56 1HB ASP 56 -13.987 -1.065 6.890 465 H VAL 57 H VAL 57 -13.376 -1.048 3.344 466 HA VAL 57 HA VAL 57 -15.016 -3.490 2.775 467 HB VAL 57 HB VAL 57 -13.856 -3.439 0.531 468 1HG1 VAL 57 1HG1 VAL 57 -15.207 -1.466 -0.293 469 2HG1 VAL 57 2HG1 VAL 57 -15.566 -1.090 1.392 470 3HG1 VAL 57 3HG1 VAL 57 -16.117 -2.612 0.692 471 1HG2 VAL 57 1HG2 VAL 57 -12.625 -1.514 -0.140 472 2HG2 VAL 57 2HG2 VAL 57 -11.987 -1.930 1.449 473 3HG2 VAL 57 3HG2 VAL 57 -13.132 -0.600 1.281 474 H LEU 58 H LEU 58 -13.410 -5.214 1.674 475 HA LEU 58 HA LEU 58 -10.742 -5.261 2.900 476 1HB LEU 58 2HB LEU 58 -12.080 -5.969 4.798 477 2HB LEU 58 1HB LEU 58 -12.966 -7.117 3.801 478 HG LEU 58 HG LEU 58 -11.011 -8.505 3.531 479 1HD1 LEU 58 1HD1 LEU 58 -9.602 -6.176 4.817 480 2HD1 LEU 58 2HD1 LEU 58 -9.227 -6.955 3.286 481 3HD1 LEU 58 3HD1 LEU 58 -8.887 -7.780 4.799 482 1HD2 LEU 58 1HD2 LEU 58 -10.977 -7.581 6.408 483 2HD2 LEU 58 2HD2 LEU 58 -10.673 -9.204 5.789 484 3HD2 LEU 58 3HD2 LEU 58 -12.302 -8.530 5.734 485 H SER 59 H SER 59 -9.376 -6.685 1.750 486 HA SER 59 HA SER 59 -10.161 -7.537 -0.821 487 1HB SER 59 2HB SER 59 -7.866 -7.554 -0.657 488 2HB SER 59 1HB SER 59 -7.884 -8.160 0.993 489 HG SER 59 HG SER 59 -7.263 -9.888 -0.147 490 H ARG 60 H ARG 60 -10.605 -9.688 -1.652 491 HA ARG 60 HA ARG 60 -12.295 -11.229 0.218 492 1HB ARG 60 2HB ARG 60 -11.835 -11.719 -2.734 493 2HB ARG 60 1HB ARG 60 -13.166 -12.319 -1.744 494 1HG ARG 60 2HG ARG 60 -13.982 -10.041 -1.398 495 2HG ARG 60 1HG ARG 60 -12.609 -9.388 -2.292 496 1HD ARG 60 2HD ARG 60 -13.403 -10.855 -4.251 497 2HD ARG 60 1HD ARG 60 -14.906 -11.041 -3.347 498 HE ARG 60 HE ARG 60 -14.588 -8.321 -3.380 499 1HH1 ARG 60 1HH2 ARG 60 -14.399 -10.803 -5.766 500 2HH1 ARG 60 2HH2 ARG 60 -14.937 -9.784 -7.059 501 1HH2 ARG 60 1HH1 ARG 60 -15.291 -6.977 -5.055 502 2HH2 ARG 60 2HH1 ARG 60 -15.443 -7.618 -6.657 503 H ASP 61 H ASP 61 -9.086 -11.290 -0.374 504 HA ASP 61 HA ASP 61 -8.873 -14.080 0.478 505 1HB ASP 61 2HB ASP 61 -8.022 -13.213 -2.289 506 2HB ASP 61 1HB ASP 61 -7.300 -14.609 -1.489 507 H ALA 62 H ALA 62 -6.314 -12.642 -1.396 508 HA ALA 62 HA ALA 62 -5.031 -11.544 1.033 509 1HB ALA 62 1HB ALA 62 -3.139 -12.951 0.969 510 2HB ALA 62 2HB ALA 62 -3.513 -13.530 -0.653 511 3HB ALA 62 3HB ALA 62 -4.486 -14.060 0.719 512 H PHE 63 H PHE 63 -2.917 -10.455 0.434 513 HA PHE 63 HA PHE 63 -2.675 -9.717 -2.420 514 1HB PHE 63 2HB PHE 63 -3.631 -7.894 -0.247 515 2HB PHE 63 1HB PHE 63 -2.518 -7.224 -1.438 516 HD1 PHE 63 1HD PHE 63 -5.784 -8.958 -1.020 517 HD2 PHE 63 2HD PHE 63 -3.216 -6.762 -3.673 518 HE1 PHE 63 1HE PHE 63 -7.643 -8.753 -2.649 519 HE2 PHE 63 2HE PHE 63 -5.075 -6.556 -5.301 520 HZ PHE 63 HZ PHE 63 -7.289 -7.552 -4.790 521 H LEU 64 H LEU 64 -0.549 -9.530 -2.923 522 HA LEU 64 HA LEU 64 1.451 -9.848 -0.816 523 1HB LEU 64 2HB LEU 64 1.491 -10.846 -3.202 524 2HB LEU 64 1HB LEU 64 2.007 -9.247 -3.725 525 HG LEU 64 HG LEU 64 3.433 -10.680 -1.479 526 1HD1 LEU 64 1HD1 LEU 64 3.581 -12.263 -3.254 527 2HD1 LEU 64 2HD1 LEU 64 5.091 -11.352 -3.305 528 3HD1 LEU 64 3HD1 LEU 64 3.808 -10.999 -4.462 529 1HD2 LEU 64 1HD2 LEU 64 5.336 -9.268 -2.555 530 2HD2 LEU 64 2HD2 LEU 64 4.115 -8.418 -1.614 531 3HD2 LEU 64 3HD2 LEU 64 4.037 -8.403 -3.375 532 H LEU 65 H LEU 65 2.059 -8.061 0.357 533 HA LEU 65 HA LEU 65 2.383 -5.507 -1.161 534 1HB LEU 65 2HB LEU 65 2.181 -4.899 1.601 535 2HB LEU 65 1HB LEU 65 1.045 -4.500 0.329 536 HG LEU 65 HG LEU 65 0.986 -7.223 1.590 537 1HD1 LEU 65 1HD1 LEU 65 0.908 -5.657 3.450 538 2HD1 LEU 65 2HD1 LEU 65 -0.726 -6.254 3.155 539 3HD1 LEU 65 3HD1 LEU 65 -0.259 -4.646 2.596 540 1HD2 LEU 65 1HD2 LEU 65 -0.331 -6.795 -0.468 541 2HD2 LEU 65 2HD2 LEU 65 -1.084 -5.402 0.301 542 3HD2 LEU 65 3HD2 LEU 65 -1.400 -7.024 0.913 543 HA PRO 66 HA PRO 66 6.619 -5.865 0.261 544 1HB PRO 66 2HB PRO 66 7.485 -3.423 -0.618 545 2HB PRO 66 1HB PRO 66 7.248 -4.812 -1.693 546 1HG PRO 66 2HG PRO 66 5.542 -2.430 -1.287 547 2HG PRO 66 1HG PRO 66 5.819 -3.384 -2.749 548 1HD PRO 66 2HD PRO 66 3.556 -3.567 -1.156 549 2HD PRO 66 1HD PRO 66 4.113 -4.821 -2.287 550 H GLN 67 H GLN 67 7.872 -4.952 2.060 551 HA GLN 67 HA GLN 67 6.654 -2.623 3.437 552 1HB GLN 67 2HB GLN 67 5.618 -4.802 4.289 553 2HB GLN 67 1HB GLN 67 7.209 -5.175 4.957 554 1HG GLN 67 2HG GLN 67 7.167 -3.032 6.209 555 2HG GLN 67 1HG GLN 67 5.547 -2.717 5.585 556 1HE2 GLN 67 1HE2 GLN 67 7.018 -3.788 8.323 557 2HE2 GLN 67 2HE2 GLN 67 5.838 -4.866 8.895 558 H CYS 68 H CYS 68 8.171 -1.344 4.382 559 HA CYS 68 HA CYS 68 10.995 -2.307 4.329 560 1HB CYS 68 2HB CYS 68 10.050 0.496 4.950 561 2HB CYS 68 1HB CYS 68 11.640 -0.016 4.390 562 H ASP 69 H ASP 69 12.207 -2.500 6.224 563 HA ASP 69 HA ASP 69 10.903 -1.657 8.783 564 1HB ASP 69 2HB ASP 69 10.532 -4.127 8.269 565 2HB ASP 69 1HB ASP 69 12.276 -4.332 8.444 566 H ARG 70 H ARG 70 12.330 -0.262 9.707 567 HA ARG 70 HA ARG 70 15.239 -0.622 9.210 568 1HB ARG 70 2HB ARG 70 14.545 1.628 8.862 569 2HB ARG 70 1HB ARG 70 13.579 1.637 10.335 570 1HG ARG 70 2HG ARG 70 15.465 1.771 11.728 571 2HG ARG 70 1HG ARG 70 16.550 1.164 10.479 572 1HD ARG 70 2HD ARG 70 16.863 3.235 9.578 573 2HD ARG 70 1HD ARG 70 15.167 3.677 9.765 574 HE ARG 70 HE ARG 70 16.685 3.583 12.276 575 1HH1 ARG 70 1HH2 ARG 70 15.585 5.405 9.561 576 2HH1 ARG 70 2HH2 ARG 70 15.709 6.932 10.368 577 1HH2 ARG 70 1HH1 ARG 70 16.854 5.568 13.343 578 2HH2 ARG 70 2HH1 ARG 70 16.428 7.024 12.508 579 H ILE 71 H ILE 71 16.300 -1.863 10.658 580 HA ILE 71 HA ILE 71 15.571 -1.604 13.550 581 HB ILE 71 HB ILE 71 14.749 -3.763 12.570 582 1HG1 ILE 71 2HG1 ILE 71 17.064 -4.193 14.477 583 2HG1 ILE 71 1HG1 ILE 71 15.534 -3.469 14.978 584 1HG2 ILE 71 1HG2 ILE 71 16.274 -5.384 11.726 585 2HG2 ILE 71 2HG2 ILE 71 17.674 -4.479 12.301 586 3HG2 ILE 71 3HG2 ILE 71 16.730 -3.873 10.939 587 1HD1 ILE 71 1HD1 ILE 71 14.315 -5.463 14.315 588 2HD1 ILE 71 2HD1 ILE 71 15.636 -5.942 15.380 589 3HD1 ILE 71 3HD1 ILE 71 15.777 -6.178 13.638 590 H LYS 72 H LYS 72 17.968 -1.464 11.142 591 HA LYS 72 HA LYS 72 20.066 -1.229 13.243 592 1HB LYS 72 2HB LYS 72 21.628 -2.392 11.543 593 2HB LYS 72 1HB LYS 72 20.514 -3.418 12.447 594 1HG LYS 72 2HG LYS 72 19.034 -3.627 10.604 595 2HG LYS 72 1HG LYS 72 19.776 -2.275 9.749 596 1HD LYS 72 2HD LYS 72 21.797 -3.546 9.360 597 2HD LYS 72 1HD LYS 72 21.223 -4.860 10.387 598 1HE LYS 72 2HE LYS 72 19.399 -5.331 8.839 599 2HE LYS 72 1HE LYS 72 19.850 -3.947 7.842 600 1HZ LYS 72 1HZ LYS 72 21.510 -6.354 8.360 601 2HZ LYS 72 2HZ LYS 72 22.009 -5.001 7.462 602 3HZ LYS 72 3HZ LYS 72 20.729 -5.969 6.905 603 H LEU 73 H LEU 73 22.133 -0.264 12.121 604 HA LEU 73 HA LEU 73 23.020 1.649 11.096 605 1HB LEU 73 2HB LEU 73 21.086 1.190 8.831 606 2HB LEU 73 1HB LEU 73 22.773 1.694 8.761 607 HG LEU 73 HG LEU 73 21.747 -1.062 9.487 608 1HD1 LEU 73 1HD1 LEU 73 23.263 -1.622 7.486 609 2HD1 LEU 73 2HD1 LEU 73 23.236 0.106 7.131 610 3HD1 LEU 73 3HD1 LEU 73 21.736 -0.819 7.124 611 1HD2 LEU 73 1HD2 LEU 73 24.271 -1.559 9.491 612 2HD2 LEU 73 2HD2 LEU 73 23.640 -0.687 10.887 613 3HD2 LEU 73 3HD2 LEU 73 24.501 0.185 9.620 614 HA PRO 74 HA PRO 74 20.118 4.948 11.696 615 1HB PRO 74 2HB PRO 74 21.147 6.993 10.234 616 2HB PRO 74 1HB PRO 74 21.977 6.315 11.646 617 1HG PRO 74 2HG PRO 74 22.617 6.040 8.791 618 2HG PRO 74 1HG PRO 74 23.663 5.863 10.206 619 1HD PRO 74 2HD PRO 74 22.418 3.773 8.663 620 2HD PRO 74 1HD PRO 74 23.459 3.593 10.091 621 H CYS 75 H CYS 75 20.786 4.829 8.167 622 HA CYS 75 HA CYS 75 17.861 5.323 7.728 623 1HB CYS 75 2HB CYS 75 19.405 7.265 7.138 624 2HB CYS 75 1HB CYS 75 20.064 6.236 5.868 625 H HIS 76 H HIS 76 18.332 2.780 7.896 626 HA HIS 76 HA HIS 76 18.474 1.828 5.070 627 1HB HIS 76 2HB HIS 76 20.624 1.403 6.503 628 2HB HIS 76 1HB HIS 76 19.641 0.185 7.315 629 HD1 HIS 76 1HD HIS 76 19.816 -2.063 6.267 630 HD2 HIS 76 2HD HIS 76 20.377 0.970 3.459 631 HE1 HIS 76 1HE HIS 76 20.277 -3.210 4.054 632 HE2 HIS 76 2HE HIS 76 20.620 -1.373 2.338 633 H TYR 77 H TYR 77 17.148 -0.056 4.692 634 HA TYR 77 HA TYR 77 15.399 -0.866 6.971 635 1HB TYR 77 2HB TYR 77 14.194 -0.455 4.254 636 2HB TYR 77 1HB TYR 77 13.419 -0.408 5.838 637 HD1 TYR 77 1HD TYR 77 13.176 1.630 7.015 638 HD2 TYR 77 2HD TYR 77 15.821 1.410 3.639 639 HE1 TYR 77 1HE TYR 77 13.479 4.090 7.092 640 HE2 TYR 77 2HE TYR 77 16.120 3.870 3.713 641 HH TYR 77 HH TYR 77 15.614 5.749 4.764 642 H LYS 78 H LYS 78 14.189 -2.878 6.489 643 HA LYS 78 HA LYS 78 15.805 -4.684 4.737 644 1HB LYS 78 2HB LYS 78 15.534 -5.142 7.267 645 2HB LYS 78 1HB LYS 78 13.862 -5.553 6.886 646 1HG LYS 78 2HG LYS 78 14.898 -7.095 5.058 647 2HG LYS 78 1HG LYS 78 16.391 -6.922 5.983 648 1HD LYS 78 2HD LYS 78 13.740 -7.931 7.056 649 2HD LYS 78 1HD LYS 78 15.165 -8.917 6.721 650 1HE LYS 78 2HE LYS 78 16.427 -7.415 8.352 651 2HE LYS 78 1HE LYS 78 14.859 -6.763 8.824 652 1HZ LYS 78 1HZ LYS 78 16.049 -9.309 9.441 653 2HZ LYS 78 2HZ LYS 78 14.444 -9.428 8.896 654 3HZ LYS 78 3HZ LYS 78 14.817 -8.465 10.244 655 H LEU 79 H LEU 79 14.632 -6.160 3.365 656 HA LEU 79 HA LEU 79 12.013 -5.064 2.513 657 1HB LEU 79 2HB LEU 79 14.176 -5.883 1.063 658 2HB LEU 79 1HB LEU 79 13.201 -7.351 1.036 659 HG LEU 79 HG LEU 79 12.189 -4.595 0.269 660 1HD1 LEU 79 1HD1 LEU 79 12.440 -5.207 -1.994 661 2HD1 LEU 79 2HD1 LEU 79 12.655 -6.914 -1.603 662 3HD1 LEU 79 3HD1 LEU 79 13.941 -5.759 -1.250 663 1HD2 LEU 79 1HD2 LEU 79 10.404 -6.012 1.100 664 2HD2 LEU 79 2HD2 LEU 79 10.977 -7.372 0.135 665 3HD2 LEU 79 3HD2 LEU 79 10.283 -5.958 -0.659 666 H SER 80 H SER 80 10.166 -6.024 3.160 667 HA SER 80 HA SER 80 10.111 -8.961 3.586 668 1HB SER 80 2HB SER 80 10.526 -8.233 5.823 669 2HB SER 80 1HB SER 80 9.419 -6.873 5.663 670 HG SER 80 HG SER 80 8.868 -9.627 5.904 671 H SER 81 H SER 81 8.327 -9.730 2.556 672 HA SER 81 HA SER 81 5.896 -8.000 2.424 673 1HB SER 81 2HB SER 81 5.710 -8.153 0.110 674 2HB SER 81 1HB SER 81 7.459 -8.051 0.289 675 HG SER 81 HG SER 81 5.827 -10.223 -0.364 676 H SER 82 H SER 82 3.930 -9.247 1.970 677 HA SER 82 HA SER 82 4.055 -12.165 2.018 678 1HB SER 82 2HB SER 82 3.104 -12.537 4.167 679 2HB SER 82 1HB SER 82 4.396 -11.374 4.449 680 HG SER 82 HG SER 82 1.933 -11.088 5.131 681 H THR 83 H THR 83 1.825 -13.091 1.944 682 HA THR 83 HA THR 83 0.011 -11.188 0.568 683 HB THR 83 HB THR 83 -0.950 -13.696 0.070 684 HG1 THR 83 1HG THR 83 1.210 -14.193 1.275 685 1HG2 THR 83 1HG2 THR 83 1.288 -12.272 -1.382 686 2HG2 THR 83 2HG2 THR 83 -0.435 -11.956 -1.594 687 3HG2 THR 83 3HG2 THR 83 0.244 -13.509 -2.082 688 H ASN 84 H ASN 84 -1.696 -10.506 1.749 689 HA ASN 84 HA ASN 84 -3.275 -12.415 3.308 690 1HB ASN 84 2HB ASN 84 -3.064 -11.206 5.448 691 2HB ASN 84 1HB ASN 84 -1.499 -11.833 4.928 692 1HD2 ASN 84 1HD2 ASN 84 -3.418 -8.863 5.269 693 2HD2 ASN 84 2HD2 ASN 84 -2.116 -7.793 5.063 694 H THR 85 H THR 85 -5.353 -11.493 3.919 695 HA THR 85 HA THR 85 -6.343 -9.535 2.088 696 HB THR 85 HB THR 85 -7.904 -9.844 4.561 697 HG1 THR 85 1HG THR 85 -8.174 -12.197 3.682 698 1HG2 THR 85 1HG2 THR 85 -8.297 -10.487 1.635 699 2HG2 THR 85 2HG2 THR 85 -9.017 -9.175 2.567 700 3HG2 THR 85 3HG2 THR 85 -9.516 -10.838 2.859 701 H ILE 86 H ILE 86 -7.055 -7.338 2.584 702 HA ILE 86 HA ILE 86 -5.934 -6.177 5.088 703 HB ILE 86 HB ILE 86 -4.446 -4.818 4.024 704 1HG1 ILE 86 2HG1 ILE 86 -6.494 -4.588 1.792 705 2HG1 ILE 86 1HG1 ILE 86 -6.133 -3.382 3.031 706 1HG2 ILE 86 1HG2 ILE 86 -5.010 -6.633 1.660 707 2HG2 ILE 86 2HG2 ILE 86 -4.024 -7.088 3.049 708 3HG2 ILE 86 3HG2 ILE 86 -3.505 -5.777 1.995 709 1HD1 ILE 86 1HD1 ILE 86 -3.742 -3.409 2.124 710 2HD1 ILE 86 2HD1 ILE 86 -4.969 -2.654 1.106 711 3HD1 ILE 86 3HD1 ILE 86 -4.398 -4.282 0.739 712 H CYS 87 H CYS 87 -7.237 -4.622 5.963 713 HA CYS 87 HA CYS 87 -9.820 -4.117 4.647 714 1HB CYS 87 2HB CYS 87 -8.695 -3.799 7.388 715 2HB CYS 87 1HB CYS 87 -9.985 -2.688 6.925 716 H ILE 88 H ILE 88 -10.405 -2.220 3.741 717 HA ILE 88 HA ILE 88 -8.748 0.198 4.159 718 HB ILE 88 HB ILE 88 -7.531 -0.227 2.281 719 1HG1 ILE 88 2HG1 ILE 88 -10.135 0.098 0.761 720 2HG1 ILE 88 1HG1 ILE 88 -9.252 1.452 1.464 721 1HG2 ILE 88 1HG2 ILE 88 -9.686 -2.218 1.530 722 2HG2 ILE 88 2HG2 ILE 88 -8.130 -2.577 2.274 723 3HG2 ILE 88 3HG2 ILE 88 -8.197 -1.976 0.620 724 1HD1 ILE 88 1HD1 ILE 88 -7.819 1.488 -0.269 725 2HD1 ILE 88 2HD1 ILE 88 -8.814 0.264 -1.055 726 3HD1 ILE 88 3HD1 ILE 88 -7.445 -0.222 -0.059 727 H THR 89 H THR 89 -9.872 2.149 3.406 728 HA THR 89 HA THR 89 -12.815 1.673 3.180 729 HB THR 89 HB THR 89 -11.163 3.734 4.512 730 HG1 THR 89 1HG THR 89 -12.964 2.031 5.143 731 1HG2 THR 89 1HG2 THR 89 -13.087 5.391 4.337 732 2HG2 THR 89 2HG2 THR 89 -13.680 4.430 2.983 733 3HG2 THR 89 3HG2 THR 89 -12.106 5.221 2.881 734 H CYS 90 H CYS 90 -13.895 2.341 1.399 735 HA CYS 90 HA CYS 90 -12.405 3.931 -0.656 736 1HB CYS 90 2HB CYS 90 -12.639 1.389 -1.077 737 2HB CYS 90 1HB CYS 90 -14.353 1.722 -1.326 738 H VAL 91 H VAL 91 -13.742 5.316 -1.948 739 HA VAL 91 HA VAL 91 -16.272 6.069 -0.625 740 HB VAL 91 HB VAL 91 -16.164 8.069 -2.045 741 1HG1 VAL 91 1HG1 VAL 91 -13.391 7.517 -0.973 742 2HG1 VAL 91 2HG1 VAL 91 -14.770 7.802 0.088 743 3HG1 VAL 91 3HG1 VAL 91 -14.247 9.058 -1.033 744 1HG2 VAL 91 1HG2 VAL 91 -15.286 7.276 -4.101 745 2HG2 VAL 91 2HG2 VAL 91 -13.900 6.524 -3.314 746 3HG2 VAL 91 3HG2 VAL 91 -13.995 8.281 -3.442 747 H ASN 92 H ASN 92 -17.250 7.248 -3.207 748 HA ASN 92 HA ASN 92 -19.111 5.345 -3.973 749 1HB ASN 92 2HB ASN 92 -17.839 7.572 -5.552 750 2HB ASN 92 1HB ASN 92 -19.137 6.582 -6.221 751 1HD2 ASN 92 1HD2 ASN 92 -18.380 9.051 -3.811 752 2HD2 ASN 92 2HD2 ASN 92 -19.987 9.374 -3.372 753 H GLN 93 H GLN 93 -15.843 5.682 -5.110 754 HA GLN 93 HA GLN 93 -15.596 2.954 -5.873 755 1HB GLN 93 2HB GLN 93 -15.450 3.391 -8.410 756 2HB GLN 93 1HB GLN 93 -17.063 3.293 -7.705 757 1HG GLN 93 2HG GLN 93 -17.319 5.664 -7.709 758 2HG GLN 93 1HG GLN 93 -15.604 5.921 -8.026 759 1HE2 GLN 93 1HE2 GLN 93 -17.040 3.296 -9.781 760 2HE2 GLN 93 2HE2 GLN 93 -17.179 4.093 -11.274 761 H LEU 94 H LEU 94 -13.994 4.828 -4.514 762 HA LEU 94 HA LEU 94 -11.532 4.683 -6.150 763 1HB LEU 94 2HB LEU 94 -12.876 7.203 -5.265 764 2HB LEU 94 1HB LEU 94 -11.117 7.145 -5.148 765 HG LEU 94 HG LEU 94 -12.451 6.258 -7.694 766 1HD1 LEU 94 1HD1 LEU 94 -12.247 8.610 -8.519 767 2HD1 LEU 94 2HD1 LEU 94 -11.902 9.120 -6.867 768 3HD1 LEU 94 3HD1 LEU 94 -13.473 8.422 -7.265 769 1HD2 LEU 94 1HD2 LEU 94 -10.359 6.690 -8.651 770 2HD2 LEU 94 2HD2 LEU 94 -9.911 6.119 -7.044 771 3HD2 LEU 94 3HD2 LEU 94 -9.917 7.846 -7.396 772 HA PRO 95 HA PRO 95 -10.540 3.465 -1.890 773 1HB PRO 95 2HB PRO 95 -8.126 2.316 -2.414 774 2HB PRO 95 1HB PRO 95 -9.667 1.515 -2.778 775 1HG PRO 95 2HG PRO 95 -7.801 2.941 -4.604 776 2HG PRO 95 1HG PRO 95 -8.746 1.467 -4.879 777 1HD PRO 95 2HD PRO 95 -9.478 3.965 -5.809 778 2HD PRO 95 1HD PRO 95 -10.626 2.640 -5.515 779 H ILE 96 H ILE 96 -9.620 4.814 -0.343 780 HA ILE 96 HA ILE 96 -7.149 6.292 -1.090 781 HB ILE 96 HB ILE 96 -8.087 8.412 -0.330 782 1HG1 ILE 96 2HG1 ILE 96 -10.697 8.364 -0.034 783 2HG1 ILE 96 1HG1 ILE 96 -10.455 6.656 0.323 784 1HG2 ILE 96 1HG2 ILE 96 -9.422 8.848 -2.226 785 2HG2 ILE 96 2HG2 ILE 96 -10.120 7.229 -2.218 786 3HG2 ILE 96 3HG2 ILE 96 -8.448 7.465 -2.717 787 1HD1 ILE 96 1HD1 ILE 96 -8.644 8.528 1.750 788 2HD1 ILE 96 2HD1 ILE 96 -9.469 7.087 2.337 789 3HD1 ILE 96 3HD1 ILE 96 -10.345 8.607 2.203 790 H HIS 97 H HIS 97 -8.844 4.491 1.290 791 HA HIS 97 HA HIS 97 -6.956 5.586 3.360 792 1HB HIS 97 2HB HIS 97 -9.838 5.146 3.447 793 2HB HIS 97 1HB HIS 97 -9.012 4.277 4.738 794 HD1 HIS 97 1HD HIS 97 -9.901 5.918 6.550 795 HD2 HIS 97 2HD HIS 97 -7.566 7.762 3.626 796 HE1 HIS 97 1HE HIS 97 -9.358 8.235 7.419 797 HE2 HIS 97 2HE HIS 97 -7.938 9.364 5.647 798 H PHE 98 H PHE 98 -5.800 4.135 4.570 799 HA PHE 98 HA PHE 98 -5.964 1.263 3.734 800 1HB PHE 98 2HB PHE 98 -3.818 2.570 3.288 801 2HB PHE 98 1HB PHE 98 -3.620 2.679 5.036 802 HD1 PHE 98 1HD PHE 98 -3.201 0.608 2.113 803 HD2 PHE 98 2HD PHE 98 -3.540 0.519 6.394 804 HE1 PHE 98 1HE PHE 98 -2.196 -1.660 2.147 805 HE2 PHE 98 2HE PHE 98 -2.536 -1.749 6.425 806 HZ PHE 98 HZ PHE 98 -1.865 -2.838 4.302 807 H ALA 99 H ALA 99 -7.349 0.405 5.291 808 HA ALA 99 HA ALA 99 -7.541 1.232 7.994 809 1HB ALA 99 1HB ALA 99 -7.948 -1.654 7.299 810 2HB ALA 99 2HB ALA 99 -8.988 -0.449 6.541 811 3HB ALA 99 3HB ALA 99 -8.941 -0.594 8.296 812 H GLY 100 H GLY 100 -6.154 -1.944 7.112 813 1HA GLY 100 2HA GLY 100 -3.638 -1.427 8.447 814 2HA GLY 100 1HA GLY 100 -4.726 -2.365 9.470 815 H VAL 101 H VAL 101 -2.904 -3.994 9.154 816 HA VAL 101 HA VAL 101 -2.901 -5.324 6.511 817 HB VAL 101 HB VAL 101 -1.427 -6.201 9.002 818 1HG1 VAL 101 1HG1 VAL 101 -0.961 -6.562 6.027 819 2HG1 VAL 101 2HG1 VAL 101 -1.463 -7.809 7.167 820 3HG1 VAL 101 3HG1 VAL 101 0.148 -7.103 7.287 821 1HG2 VAL 101 1HG2 VAL 101 0.482 -4.854 8.112 822 2HG2 VAL 101 2HG2 VAL 101 -0.877 -3.851 8.620 823 3HG2 VAL 101 3HG2 VAL 101 -0.605 -4.165 6.907 824 H GLY 102 H GLY 102 -3.328 -7.664 6.378 825 1HA GLY 102 2HA GLY 102 -4.654 -9.556 6.794 826 2HA GLY 102 1HA GLY 102 -4.517 -9.158 8.506 827 H SER 103 H SER 103 -6.864 -9.993 8.337 828 HA SER 103 HA SER 103 -8.876 -8.422 7.048 829 1HB SER 103 2HB SER 103 -10.445 -9.556 8.588 830 2HB SER 103 1HB SER 103 -9.306 -10.699 7.883 831 HG SER 103 HG SER 103 -8.931 -11.171 9.904 832 H CYS 104 H CYS 104 -10.627 -7.264 8.471 833 HA CYS 104 HA CYS 104 -9.522 -4.916 9.558 834 1HB CYS 104 2HB CYS 104 -12.196 -6.257 9.761 835 2HB CYS 104 1HB CYS 104 -11.867 -4.877 10.807 836 HA PRO 105 HA PRO 105 -7.863 -5.613 13.584 837 1HB PRO 105 2HB PRO 105 -10.133 -3.918 14.580 838 2HB PRO 105 1HB PRO 105 -8.405 -3.827 14.977 839 1HG PRO 105 2HG PRO 105 -9.565 -2.141 13.238 840 2HG PRO 105 1HG PRO 105 -7.887 -2.679 13.066 841 1HD PRO 105 2HD PRO 105 -10.226 -3.363 11.402 842 2HD PRO 105 1HD PRO 105 -8.496 -3.539 11.036 Start of MODEL 2 1 HN PCA 1 H PCA 1 -6.505 9.059 1.080 2 HA PCA 1 HA PCA 1 -7.940 11.135 1.894 3 1HB PCA 1 1HB PCA 1 -6.530 12.546 2.982 4 2HB PCA 1 2HB PCA 1 -5.910 13.005 1.414 5 1HG PCA 1 1HG PCA 1 -4.578 11.705 3.329 6 2HG PCA 1 2HG PCA 1 -4.193 11.681 1.593 7 H ASP 2 H ASP 2 -5.996 9.984 -0.609 8 HA ASP 2 HA ASP 2 -7.793 11.121 -2.585 9 1HB ASP 2 2HB ASP 2 -5.078 12.300 -2.137 10 2HB ASP 2 1HB ASP 2 -5.614 12.100 -3.804 11 H TRP 3 H TRP 3 -8.019 9.450 -3.977 12 HA TRP 3 HA TRP 3 -6.569 7.089 -3.971 13 1HB TRP 3 2HB TRP 3 -8.558 7.023 -5.192 14 2HB TRP 3 1HB TRP 3 -8.167 8.479 -6.098 15 HD1 TRP 3 HD TRP 3 -8.182 7.659 -8.496 16 HE1 TRP 3 1HE TRP 3 -6.899 5.870 -9.832 17 HE3 TRP 3 3HE TRP 3 -5.787 5.222 -4.678 18 HZ2 TRP 3 2HZ TRP 3 -5.113 3.700 -9.357 19 HZ3 TRP 3 3HZ TRP 3 -4.310 3.300 -5.159 20 HH2 TRP 3 HH TRP 3 -3.969 2.535 -7.491 21 H GLU 4 H GLU 4 -5.713 10.120 -5.510 22 HA GLU 4 HA GLU 4 -3.667 9.136 -7.254 23 1HB GLU 4 2HB GLU 4 -4.623 11.471 -7.276 24 2HB GLU 4 1HB GLU 4 -3.702 11.803 -5.808 25 1HG GLU 4 2HG GLU 4 -2.399 12.585 -7.688 26 2HG GLU 4 1HG GLU 4 -1.618 11.136 -7.057 27 H THR 5 H THR 5 -2.865 11.077 -4.370 28 HA THR 5 HA THR 5 -0.281 10.058 -4.019 29 HB THR 5 HB THR 5 -1.166 11.959 -2.730 30 HG1 THR 5 1HG THR 5 0.620 10.795 -1.921 31 1HG2 THR 5 1HG2 THR 5 -2.769 11.715 -1.006 32 2HG2 THR 5 2HG2 THR 5 -2.596 9.959 -0.985 33 3HG2 THR 5 3HG2 THR 5 -3.406 10.750 -2.337 34 H PHE 6 H PHE 6 -3.329 8.800 -2.689 35 HA PHE 6 HA PHE 6 -2.315 6.682 -1.136 36 1HB PHE 6 2HB PHE 6 -4.774 7.442 -1.519 37 2HB PHE 6 1HB PHE 6 -4.741 6.356 -2.904 38 HD1 PHE 6 1HD PHE 6 -4.118 6.481 0.780 39 HD2 PHE 6 2HD PHE 6 -5.051 4.037 -2.626 40 HE1 PHE 6 1HE PHE 6 -4.529 4.549 2.276 41 HE2 PHE 6 2HE PHE 6 -5.460 2.105 -1.131 42 HZ PHE 6 HZ PHE 6 -5.202 2.361 1.321 43 H GLN 7 H GLN 7 -2.436 7.120 -4.569 44 HA GLN 7 HA GLN 7 -1.801 4.299 -5.137 45 1HB GLN 7 2HB GLN 7 -3.264 5.733 -6.641 46 2HB GLN 7 1HB GLN 7 -1.817 6.646 -7.056 47 1HG GLN 7 2HG GLN 7 -1.879 3.645 -7.335 48 2HG GLN 7 1HG GLN 7 -2.512 4.687 -8.608 49 1HE2 GLN 7 1HE2 GLN 7 -0.762 6.759 -8.802 50 2HE2 GLN 7 2HE2 GLN 7 0.819 6.218 -9.097 51 H LYS 8 H LYS 8 -0.166 7.328 -4.616 52 HA LYS 8 HA LYS 8 2.308 6.380 -5.922 53 1HB LYS 8 2HB LYS 8 1.967 8.884 -4.271 54 2HB LYS 8 1HB LYS 8 3.168 8.559 -5.521 55 1HG LYS 8 2HG LYS 8 1.245 8.333 -7.162 56 2HG LYS 8 1HG LYS 8 0.189 8.943 -5.894 57 1HD LYS 8 2HD LYS 8 1.160 11.069 -5.913 58 2HD LYS 8 1HD LYS 8 2.672 10.486 -6.605 59 1HE LYS 8 2HE LYS 8 0.165 10.223 -8.229 60 2HE LYS 8 1HE LYS 8 0.934 11.806 -8.106 61 1HZ LYS 8 1HZ LYS 8 2.896 11.004 -9.045 62 2HZ LYS 8 2HZ LYS 8 1.672 10.296 -9.986 63 3HZ LYS 8 3HZ LYS 8 2.473 9.381 -8.801 64 H LYS 9 H LYS 9 1.387 7.346 -2.574 65 HA LYS 9 HA LYS 9 3.940 6.307 -1.581 66 1HB LYS 9 2HB LYS 9 2.831 6.883 0.688 67 2HB LYS 9 1HB LYS 9 3.226 8.205 -0.408 68 1HG LYS 9 2HG LYS 9 0.974 8.467 -1.092 69 2HG LYS 9 1HG LYS 9 0.509 6.891 -0.451 70 1HD LYS 9 2HD LYS 9 0.980 7.719 1.851 71 2HD LYS 9 1HD LYS 9 1.344 9.308 1.180 72 1HE LYS 9 2HE LYS 9 -0.878 9.706 0.570 73 2HE LYS 9 1HE LYS 9 -1.286 7.990 0.548 74 1HZ LYS 9 1HZ LYS 9 -0.496 9.366 3.041 75 2HZ LYS 9 2HZ LYS 9 -1.325 7.894 2.861 76 3HZ LYS 9 3HZ LYS 9 -2.105 9.360 2.503 77 H HIS 10 H HIS 10 0.502 5.313 -1.198 78 HA HIS 10 HA HIS 10 1.316 2.998 0.396 79 1HB HIS 10 2HB HIS 10 -1.357 3.733 -0.814 80 2HB HIS 10 1HB HIS 10 -1.086 2.376 0.276 81 HD1 HIS 10 1HD HIS 10 -2.814 3.776 1.857 82 HD2 HIS 10 2HD HIS 10 0.974 5.438 1.334 83 HE1 HIS 10 1HE HIS 10 -2.520 5.486 3.705 84 HE2 HIS 10 2HE HIS 10 -0.218 6.504 3.394 85 H LEU 11 H LEU 11 1.172 3.588 -2.979 86 HA LEU 11 HA LEU 11 1.188 0.615 -3.440 87 1HB LEU 11 2HB LEU 11 -0.244 2.810 -4.841 88 2HB LEU 11 1HB LEU 11 0.485 1.589 -5.876 89 HG LEU 11 HG LEU 11 -0.668 -0.172 -4.519 90 1HD1 LEU 11 1HD1 LEU 11 -1.098 0.826 -2.432 91 2HD1 LEU 11 2HD1 LEU 11 -2.685 0.798 -3.188 92 3HD1 LEU 11 3HD1 LEU 11 -1.749 2.291 -3.156 93 1HD2 LEU 11 1HD2 LEU 11 -2.391 1.959 -5.809 94 2HD2 LEU 11 2HD2 LEU 11 -2.943 0.330 -5.422 95 3HD2 LEU 11 3HD2 LEU 11 -1.660 0.567 -6.609 96 H THR 12 H THR 12 2.649 -0.152 -5.031 97 HA THR 12 HA THR 12 4.655 1.842 -6.008 98 HB THR 12 HB THR 12 5.754 0.823 -4.137 99 HG1 THR 12 1HG THR 12 7.377 0.633 -5.420 100 1HG2 THR 12 1HG2 THR 12 4.101 -1.414 -4.761 101 2HG2 THR 12 2HG2 THR 12 5.186 -1.223 -3.386 102 3HG2 THR 12 3HG2 THR 12 5.775 -1.954 -4.876 103 H ASP 13 H ASP 13 6.273 0.057 -7.426 104 HA ASP 13 HA ASP 13 4.320 -1.094 -9.389 105 1HB ASP 13 2HB ASP 13 6.090 -0.566 -11.110 106 2HB ASP 13 1HB ASP 13 5.350 0.849 -10.364 107 H THR 14 H THR 14 6.215 -2.236 -7.078 108 HA THR 14 HA THR 14 6.830 -4.666 -8.621 109 HB THR 14 HB THR 14 8.836 -3.251 -8.979 110 HG1 THR 14 1HG THR 14 9.055 -5.513 -8.775 111 1HG2 THR 14 1HG2 THR 14 8.583 -1.987 -6.824 112 2HG2 THR 14 2HG2 THR 14 10.218 -2.583 -7.110 113 3HG2 THR 14 3HG2 THR 14 9.161 -3.420 -5.974 114 H LYS 15 H LYS 15 7.283 -6.484 -7.247 115 HA LYS 15 HA LYS 15 5.982 -6.328 -4.655 116 1HB LYS 15 2HB LYS 15 6.945 -8.761 -4.532 117 2HB LYS 15 1HB LYS 15 5.687 -8.403 -5.715 118 1HG LYS 15 2HG LYS 15 7.237 -8.288 -7.503 119 2HG LYS 15 1HG LYS 15 8.613 -8.150 -6.412 120 1HD LYS 15 2HD LYS 15 8.605 -10.405 -7.259 121 2HD LYS 15 1HD LYS 15 8.075 -10.478 -5.579 122 1HE LYS 15 2HE LYS 15 6.672 -11.857 -7.152 123 2HE LYS 15 1HE LYS 15 5.755 -10.650 -6.252 124 1HZ LYS 15 1HZ LYS 15 5.525 -9.318 -8.096 125 2HZ LYS 15 2HZ LYS 15 5.429 -10.866 -8.791 126 3HZ LYS 15 3HZ LYS 15 6.873 -9.975 -8.888 127 H LYS 16 H LYS 16 9.203 -5.931 -5.801 128 HA LYS 16 HA LYS 16 10.228 -6.005 -2.984 129 1HB LYS 16 2HB LYS 16 11.749 -6.536 -5.556 130 2HB LYS 16 1HB LYS 16 12.428 -6.578 -3.929 131 1HG LYS 16 2HG LYS 16 11.310 -8.545 -3.362 132 2HG LYS 16 1HG LYS 16 10.038 -8.288 -4.556 133 1HD LYS 16 2HD LYS 16 11.473 -8.902 -6.362 134 2HD LYS 16 1HD LYS 16 12.907 -8.831 -5.339 135 1HE LYS 16 2HE LYS 16 10.631 -10.748 -4.805 136 2HE LYS 16 1HE LYS 16 12.002 -11.172 -5.829 137 1HZ LYS 16 1HZ LYS 16 13.422 -10.443 -3.881 138 2HZ LYS 16 2HZ LYS 16 12.576 -11.904 -3.702 139 3HZ LYS 16 3HZ LYS 16 12.005 -10.491 -2.951 140 H VAL 17 H VAL 17 9.232 -3.694 -3.284 141 HA VAL 17 HA VAL 17 10.338 -1.720 -4.939 142 HB VAL 17 HB VAL 17 9.714 -0.099 -3.198 143 1HG1 VAL 17 1HG1 VAL 17 7.669 -2.305 -3.178 144 2HG1 VAL 17 2HG1 VAL 17 8.017 -1.390 -4.640 145 3HG1 VAL 17 3HG1 VAL 17 7.398 -0.565 -3.209 146 1HG2 VAL 17 1HG2 VAL 17 9.552 -2.604 -1.508 147 2HG2 VAL 17 2HG2 VAL 17 8.727 -1.112 -1.056 148 3HG2 VAL 17 3HG2 VAL 17 10.485 -1.142 -1.193 149 H LYS 18 H LYS 18 11.747 0.125 -4.045 150 HA LYS 18 HA LYS 18 14.229 -1.111 -2.974 151 1HB LYS 18 2HB LYS 18 15.143 1.249 -3.684 152 2HB LYS 18 1HB LYS 18 14.794 0.055 -4.935 153 1HG LYS 18 2HG LYS 18 12.612 1.060 -5.351 154 2HG LYS 18 1HG LYS 18 12.843 2.187 -4.016 155 1HD LYS 18 2HD LYS 18 13.448 3.494 -5.862 156 2HD LYS 18 1HD LYS 18 15.011 2.887 -5.317 157 1HE LYS 18 2HE LYS 18 14.742 2.658 -7.773 158 2HE LYS 18 1HE LYS 18 14.918 1.089 -6.989 159 1HZ LYS 18 1HZ LYS 18 12.202 2.068 -7.226 160 2HZ LYS 18 2HZ LYS 18 12.823 0.507 -7.481 161 3HZ LYS 18 3HZ LYS 18 12.960 1.689 -8.695 162 H CYS 19 H CYS 19 12.830 -1.080 -0.910 163 HA CYS 19 HA CYS 19 11.863 0.886 0.600 164 1HB CYS 19 2HB CYS 19 13.946 -1.137 1.413 165 2HB CYS 19 1HB CYS 19 13.189 -0.062 2.588 166 H ASP 20 H ASP 20 15.377 0.595 0.026 167 HA ASP 20 HA ASP 20 16.364 2.604 1.669 168 1HB ASP 20 2HB ASP 20 17.852 1.299 0.263 169 2HB ASP 20 1HB ASP 20 17.140 1.987 -1.196 170 H VAL 21 H VAL 21 14.785 2.992 -1.476 171 HA VAL 21 HA VAL 21 14.770 5.945 -1.086 172 HB VAL 21 HB VAL 21 13.778 4.558 -3.559 173 1HG1 VAL 21 1HG1 VAL 21 15.194 7.173 -2.974 174 2HG1 VAL 21 2HG1 VAL 21 13.517 6.962 -3.475 175 3HG1 VAL 21 3HG1 VAL 21 14.824 6.600 -4.599 176 1HG2 VAL 21 1HG2 VAL 21 16.663 4.947 -2.731 177 2HG2 VAL 21 2HG2 VAL 21 16.171 4.708 -4.407 178 3HG2 VAL 21 3HG2 VAL 21 15.877 3.444 -3.212 179 H GLU 22 H GLU 22 12.676 3.116 -1.469 180 HA GLU 22 HA GLU 22 10.182 4.424 -1.754 181 1HB GLU 22 2HB GLU 22 11.031 1.789 -1.373 182 2HB GLU 22 1HB GLU 22 10.041 2.120 0.049 183 1HG GLU 22 2HG GLU 22 8.579 1.272 -1.676 184 2HG GLU 22 1HG GLU 22 8.254 2.996 -1.503 185 H MET 23 H MET 23 12.410 4.713 0.692 186 HA MET 23 HA MET 23 10.343 5.774 2.584 187 1HB MET 23 2HB MET 23 12.846 4.182 3.203 188 2HB MET 23 1HB MET 23 11.960 5.096 4.420 189 1HG MET 23 2HG MET 23 9.883 3.763 3.573 190 2HG MET 23 1HG MET 23 11.076 2.671 2.871 191 1HE MET 23 1HE MET 23 9.850 4.601 5.694 192 2HE MET 23 2HE MET 23 11.345 4.597 6.624 193 3HE MET 23 3HE MET 23 9.996 3.588 7.136 194 H ALA 24 H ALA 24 13.785 5.872 1.626 195 HA ALA 24 HA ALA 24 14.295 8.376 2.973 196 1HB ALA 24 1HB ALA 24 16.039 6.676 2.267 197 2HB ALA 24 2HB ALA 24 16.417 8.345 1.843 198 3HB ALA 24 3HB ALA 24 15.810 7.238 0.611 199 H LYS 25 H LYS 25 12.209 7.823 0.570 200 HA LYS 25 HA LYS 25 12.750 9.587 -1.544 201 1HB LYS 25 2HB LYS 25 10.267 8.621 -0.194 202 2HB LYS 25 1HB LYS 25 10.097 10.011 -1.260 203 1HG LYS 25 2HG LYS 25 10.452 8.777 -3.142 204 2HG LYS 25 1HG LYS 25 11.721 7.814 -2.392 205 1HD LYS 25 2HD LYS 25 9.872 6.344 -2.847 206 2HD LYS 25 1HD LYS 25 9.928 6.598 -1.102 207 1HE LYS 25 2HE LYS 25 7.622 6.819 -1.844 208 2HE LYS 25 1HE LYS 25 8.219 8.407 -1.364 209 1HZ LYS 25 1HZ LYS 25 8.616 7.664 -4.147 210 2HZ LYS 25 2HZ LYS 25 8.190 9.162 -3.471 211 3HZ LYS 25 3HZ LYS 25 7.013 7.954 -3.676 212 H ALA 26 H ALA 26 11.016 11.659 -1.633 213 HA ALA 26 HA ALA 26 12.081 13.495 0.453 214 1HB ALA 26 1HB ALA 26 12.454 14.332 -1.752 215 2HB ALA 26 2HB ALA 26 11.090 15.255 -1.122 216 3HB ALA 26 3HB ALA 26 10.813 13.934 -2.258 217 H LEU 27 H LEU 27 9.245 11.770 -0.388 218 HA LEU 27 HA LEU 27 7.498 13.688 1.082 219 1HB LEU 27 2HB LEU 27 5.630 12.449 0.207 220 2HB LEU 27 1HB LEU 27 6.750 12.728 -1.123 221 HG LEU 27 HG LEU 27 7.678 10.331 -0.128 222 1HD1 LEU 27 1HD1 LEU 27 5.847 10.024 1.428 223 2HD1 LEU 27 2HD1 LEU 27 5.604 8.912 0.084 224 3HD1 LEU 27 3HD1 LEU 27 4.660 10.396 0.178 225 1HD2 LEU 27 1HD2 LEU 27 7.410 10.597 -2.460 226 2HD2 LEU 27 2HD2 LEU 27 5.703 11.012 -2.308 227 3HD2 LEU 27 3HD2 LEU 27 6.232 9.350 -2.053 228 H PHE 28 H PHE 28 9.493 11.166 1.794 229 HA PHE 28 HA PHE 28 7.771 10.266 4.080 230 1HB PHE 28 2HB PHE 28 9.734 8.813 2.341 231 2HB PHE 28 1HB PHE 28 9.585 8.315 4.022 232 HD1 PHE 28 1HD PHE 28 8.406 7.641 0.828 233 HD2 PHE 28 2HD PHE 28 6.963 8.259 4.828 234 HE1 PHE 28 1HE PHE 28 6.345 6.377 0.281 235 HE2 PHE 28 2HE PHE 28 4.902 6.997 4.279 236 HZ PHE 28 HZ PHE 28 4.593 6.055 2.006 237 H ASP 29 H ASP 29 11.018 11.253 3.056 238 HA ASP 29 HA ASP 29 12.712 12.298 4.301 239 1HB ASP 29 2HB ASP 29 11.035 12.238 6.792 240 2HB ASP 29 1HB ASP 29 12.137 13.488 6.214 241 H CYS 30 H CYS 30 12.480 9.415 4.098 242 HA CYS 30 HA CYS 30 13.403 7.478 5.049 243 1HB CYS 30 2HB CYS 30 15.408 8.946 4.970 244 2HB CYS 30 1HB CYS 30 15.025 9.527 6.589 245 H LYS 31 H LYS 31 11.124 7.431 6.164 246 HA LYS 31 HA LYS 31 10.947 8.116 8.962 247 1HB LYS 31 2HB LYS 31 9.372 5.969 7.520 248 2HB LYS 31 1HB LYS 31 8.891 6.843 8.965 249 1HG LYS 31 2HG LYS 31 9.304 8.063 6.222 250 2HG LYS 31 1HG LYS 31 7.743 7.713 6.954 251 1HD LYS 31 2HD LYS 31 9.800 9.730 7.888 252 2HD LYS 31 1HD LYS 31 8.179 10.053 7.283 253 1HE LYS 31 2HE LYS 31 8.987 8.875 9.934 254 2HE LYS 31 1HE LYS 31 7.910 10.230 9.607 255 1HZ LYS 31 1HZ LYS 31 7.345 7.402 9.647 256 2HZ LYS 31 2HZ LYS 31 6.696 8.217 8.306 257 3HZ LYS 31 3HZ LYS 31 6.305 8.720 9.880 258 H LYS 32 H LYS 32 9.806 5.309 9.508 259 HA LYS 32 HA LYS 32 12.377 3.844 9.929 260 1HB LYS 32 2HB LYS 32 12.097 4.664 12.091 261 2HB LYS 32 1HB LYS 32 10.341 4.727 11.951 262 1HG LYS 32 2HG LYS 32 10.109 2.404 12.306 263 2HG LYS 32 1HG LYS 32 11.807 2.091 11.947 264 1HD LYS 32 2HD LYS 32 12.475 3.275 13.997 265 2HD LYS 32 1HD LYS 32 10.783 3.627 14.353 266 1HE LYS 32 2HE LYS 32 10.368 1.123 14.321 267 2HE LYS 32 1HE LYS 32 12.118 0.912 14.261 268 1HZ LYS 32 1HZ LYS 32 12.076 1.073 16.460 269 2HZ LYS 32 2HZ LYS 32 10.453 1.575 16.477 270 3HZ LYS 32 3HZ LYS 32 11.697 2.716 16.275 271 H THR 33 H THR 33 8.864 3.790 9.618 272 HA THR 33 HA THR 33 9.051 0.916 8.804 273 HB THR 33 HB THR 33 6.754 2.158 10.349 274 HG1 THR 33 1HG THR 33 9.102 0.915 11.124 275 1HG2 THR 33 1HG2 THR 33 6.102 0.295 8.905 276 2HG2 THR 33 2HG2 THR 33 6.061 -0.216 10.592 277 3HG2 THR 33 3HG2 THR 33 7.407 -0.694 9.558 278 H ASN 34 H ASN 34 7.817 0.413 6.956 279 HA ASN 34 HA ASN 34 5.925 2.429 5.921 280 1HB ASN 34 2HB ASN 34 8.474 2.784 5.167 281 2HB ASN 34 1HB ASN 34 8.025 1.560 3.984 282 1HD2 ASN 34 1HD2 ASN 34 5.117 2.653 4.186 283 2HD2 ASN 34 2HD2 ASN 34 5.145 4.032 3.198 284 H THR 35 H THR 35 4.492 1.568 4.391 285 HA THR 35 HA THR 35 4.861 -1.274 3.587 286 HB THR 35 HB THR 35 2.321 -0.175 4.832 287 HG1 THR 35 1HG THR 35 3.291 -2.207 6.171 288 1HG2 THR 35 1HG2 THR 35 1.849 -1.874 3.168 289 2HG2 THR 35 2HG2 THR 35 1.656 -2.593 4.767 290 3HG2 THR 35 3HG2 THR 35 3.108 -2.921 3.822 291 H PHE 36 H PHE 36 3.597 -1.828 1.682 292 HA PHE 36 HA PHE 36 2.075 0.344 0.385 293 1HB PHE 36 2HB PHE 36 4.106 -0.849 -1.427 294 2HB PHE 36 1HB PHE 36 3.473 0.788 -1.384 295 HD1 PHE 36 1HD PHE 36 4.909 2.485 -0.691 296 HD2 PHE 36 2HD PHE 36 5.556 -1.513 0.720 297 HE1 PHE 36 1HE PHE 36 6.979 3.224 0.456 298 HE2 PHE 36 2HE PHE 36 7.621 -0.779 1.872 299 HZ PHE 36 HZ PHE 36 8.338 1.591 1.733 300 H ILE 37 H ILE 37 1.352 -0.623 -1.926 301 HA ILE 37 HA ILE 37 0.764 -3.529 -1.516 302 HB ILE 37 HB ILE 37 -1.081 -1.448 -2.703 303 1HG1 ILE 37 2HG1 ILE 37 -1.718 -2.876 -0.152 304 2HG1 ILE 37 1HG1 ILE 37 -0.512 -1.598 -0.060 305 1HG2 ILE 37 1HG2 ILE 37 -2.747 -3.351 -2.397 306 2HG2 ILE 37 2HG2 ILE 37 -1.359 -4.399 -2.101 307 3HG2 ILE 37 3HG2 ILE 37 -1.540 -3.593 -3.660 308 1HD1 ILE 37 1HD1 ILE 37 -2.028 0.059 -0.505 309 2HD1 ILE 37 2HD1 ILE 37 -3.148 -1.116 0.178 310 3HD1 ILE 37 3HD1 ILE 37 -2.997 -0.958 -1.572 311 H TYR 38 H TYR 38 1.144 -4.839 -3.246 312 HA TYR 38 HA TYR 38 2.206 -3.526 -5.703 313 1HB TYR 38 2HB TYR 38 3.588 -5.299 -4.706 314 2HB TYR 38 1HB TYR 38 2.240 -6.428 -4.818 315 HD1 TYR 38 1HD TYR 38 4.002 -3.987 -7.073 316 HD2 TYR 38 2HD TYR 38 2.300 -7.906 -6.613 317 HE1 TYR 38 1HE TYR 38 4.646 -4.542 -9.402 318 HE2 TYR 38 2HE TYR 38 2.947 -8.460 -8.941 319 HH TYR 38 HH TYR 38 4.298 -7.798 -10.678 320 H ALA 39 H ALA 39 0.373 -2.934 -6.887 321 HA ALA 39 HA ALA 39 -1.119 -5.140 -8.124 322 1HB ALA 39 1HB ALA 39 -2.683 -2.988 -6.682 323 2HB ALA 39 2HB ALA 39 -2.331 -4.555 -5.951 324 3HB ALA 39 3HB ALA 39 -3.303 -4.465 -7.420 325 H LEU 40 H LEU 40 -2.396 -4.369 -9.978 326 HA LEU 40 HA LEU 40 -1.202 -1.920 -11.124 327 1HB LEU 40 2HB LEU 40 -1.553 -2.859 -13.184 328 2HB LEU 40 1HB LEU 40 -1.568 -4.335 -12.230 329 HG LEU 40 HG LEU 40 -4.180 -3.724 -12.035 330 1HD1 LEU 40 1HD1 LEU 40 -5.026 -2.634 -13.969 331 2HD1 LEU 40 2HD1 LEU 40 -3.479 -2.743 -14.804 332 3HD1 LEU 40 3HD1 LEU 40 -3.674 -1.629 -13.457 333 1HD2 LEU 40 1HD2 LEU 40 -2.785 -5.055 -14.374 334 2HD2 LEU 40 2HD2 LEU 40 -4.516 -5.179 -14.062 335 3HD2 LEU 40 3HD2 LEU 40 -3.361 -5.835 -12.900 336 HA PRO 41 HA PRO 41 -4.396 1.002 -10.408 337 1HB PRO 41 2HB PRO 41 -4.757 1.105 -13.372 338 2HB PRO 41 1HB PRO 41 -4.500 2.427 -12.220 339 1HG PRO 41 2HG PRO 41 -2.563 1.364 -13.851 340 2HG PRO 41 1HG PRO 41 -2.254 2.267 -12.364 341 1HD PRO 41 2HD PRO 41 -1.753 -0.538 -12.881 342 2HD PRO 41 1HD PRO 41 -1.382 0.391 -11.413 343 H GLY 42 H GLY 42 -5.284 -1.002 -13.243 344 1HA GLY 42 2HA GLY 42 -8.069 -0.868 -12.965 345 2HA GLY 42 1HA GLY 42 -7.236 -2.262 -13.650 346 H ARG 43 H ARG 43 -5.916 -3.341 -11.540 347 HA ARG 43 HA ARG 43 -7.951 -4.721 -10.106 348 1HB ARG 43 2HB ARG 43 -4.971 -4.465 -9.672 349 2HB ARG 43 1HB ARG 43 -5.993 -5.491 -8.664 350 1HG ARG 43 2HG ARG 43 -6.791 -6.640 -10.750 351 2HG ARG 43 1HG ARG 43 -5.608 -5.703 -11.663 352 1HD ARG 43 2HD ARG 43 -4.628 -7.860 -11.147 353 2HD ARG 43 1HD ARG 43 -3.815 -6.636 -10.171 354 HE ARG 43 HE ARG 43 -4.733 -7.645 -8.241 355 1HH1 ARG 43 1HH2 ARG 43 -6.314 -8.660 -11.132 356 2HH1 ARG 43 2HH2 ARG 43 -7.260 -9.878 -10.344 357 1HH2 ARG 43 1HH1 ARG 43 -5.960 -9.230 -7.196 358 2HH2 ARG 43 2HH1 ARG 43 -7.060 -10.200 -8.115 359 H VAL 44 H VAL 44 -6.107 -1.814 -9.340 360 HA VAL 44 HA VAL 44 -6.881 -1.805 -6.532 361 HB VAL 44 HB VAL 44 -5.870 0.480 -8.251 362 1HG1 VAL 44 1HG1 VAL 44 -6.202 0.047 -5.281 363 2HG1 VAL 44 2HG1 VAL 44 -6.750 1.407 -6.259 364 3HG1 VAL 44 3HG1 VAL 44 -5.034 1.207 -5.911 365 1HG2 VAL 44 1HG2 VAL 44 -3.663 -0.139 -7.578 366 2HG2 VAL 44 2HG2 VAL 44 -4.425 -1.636 -8.113 367 3HG2 VAL 44 3HG2 VAL 44 -4.272 -1.292 -6.391 368 H LYS 45 H LYS 45 -7.804 0.318 -9.279 369 HA LYS 45 HA LYS 45 -9.974 1.553 -7.882 370 1HB LYS 45 2HB LYS 45 -10.704 2.351 -10.050 371 2HB LYS 45 1HB LYS 45 -8.941 2.395 -10.028 372 1HG LYS 45 2HG LYS 45 -9.041 0.042 -11.069 373 2HG LYS 45 1HG LYS 45 -10.742 0.386 -11.388 374 1HD LYS 45 2HD LYS 45 -8.366 2.001 -12.361 375 2HD LYS 45 1HD LYS 45 -9.426 0.996 -13.349 376 1HE LYS 45 2HE LYS 45 -10.086 3.583 -11.939 377 2HE LYS 45 1HE LYS 45 -10.248 3.200 -13.652 378 1HZ LYS 45 1HZ LYS 45 -11.882 2.195 -11.399 379 2HZ LYS 45 2HZ LYS 45 -11.895 1.457 -12.929 380 3HZ LYS 45 3HZ LYS 45 -12.397 3.072 -12.755 381 H ALA 46 H ALA 46 -9.577 -1.537 -9.315 382 HA ALA 46 HA ALA 46 -12.437 -2.088 -9.643 383 1HB ALA 46 1HB ALA 46 -9.968 -3.844 -9.764 384 2HB ALA 46 2HB ALA 46 -10.877 -3.209 -11.134 385 3HB ALA 46 3HB ALA 46 -11.599 -4.427 -10.084 386 H LEU 47 H LEU 47 -9.979 -2.436 -7.193 387 HA LEU 47 HA LEU 47 -11.279 -4.442 -5.601 388 1HB LEU 47 2HB LEU 47 -8.855 -3.179 -5.501 389 2HB LEU 47 1HB LEU 47 -9.692 -2.381 -4.172 390 HG LEU 47 HG LEU 47 -9.436 -5.384 -4.523 391 1HD1 LEU 47 1HD1 LEU 47 -7.329 -4.081 -3.916 392 2HD1 LEU 47 2HD1 LEU 47 -7.821 -5.317 -2.757 393 3HD1 LEU 47 3HD1 LEU 47 -8.154 -3.616 -2.428 394 1HD2 LEU 47 1HD2 LEU 47 -10.750 -3.614 -2.455 395 2HD2 LEU 47 2HD2 LEU 47 -10.243 -5.258 -2.070 396 3HD2 LEU 47 3HD2 LEU 47 -11.446 -4.978 -3.328 397 H CYS 48 H CYS 48 -12.098 -1.191 -6.242 398 HA CYS 48 HA CYS 48 -14.090 -1.277 -4.024 399 1HB CYS 48 2HB CYS 48 -12.352 1.109 -4.738 400 2HB CYS 48 1HB CYS 48 -13.712 1.152 -3.618 401 H LYS 49 H LYS 49 -14.713 -1.980 -6.615 402 HA LYS 49 HA LYS 49 -15.863 0.457 -7.880 403 1HB LYS 49 2HB LYS 49 -16.187 -0.911 -9.838 404 2HB LYS 49 1HB LYS 49 -14.558 -1.224 -9.239 405 1HG LYS 49 2HG LYS 49 -15.541 -3.200 -7.964 406 2HG LYS 49 1HG LYS 49 -17.015 -2.958 -8.902 407 1HD LYS 49 2HD LYS 49 -15.523 -3.064 -10.986 408 2HD LYS 49 1HD LYS 49 -14.262 -3.682 -9.917 409 1HE LYS 49 2HE LYS 49 -15.865 -5.473 -9.175 410 2HE LYS 49 1HE LYS 49 -16.987 -4.912 -10.414 411 1HZ LYS 49 1HZ LYS 49 -15.591 -6.774 -11.157 412 2HZ LYS 49 2HZ LYS 49 -14.207 -5.815 -10.935 413 3HZ LYS 49 3HZ LYS 49 -15.365 -5.383 -12.100 414 H ASN 50 H ASN 50 -18.123 0.517 -8.427 415 HA ASN 50 HA ASN 50 -20.400 0.232 -7.964 416 1HB ASN 50 2HB ASN 50 -19.702 -2.614 -7.223 417 2HB ASN 50 1HB ASN 50 -21.223 -2.002 -7.871 418 1HD2 ASN 50 1HD2 ASN 50 -19.988 -0.279 -9.912 419 2HD2 ASN 50 2HD2 ASN 50 -19.338 -1.310 -11.093 420 H ILE 51 H ILE 51 -18.048 0.051 -5.624 421 HA ILE 51 HA ILE 51 -19.643 -0.757 -3.347 422 HB ILE 51 HB ILE 51 -17.135 0.945 -3.485 423 1HG1 ILE 51 2HG1 ILE 51 -16.767 -1.289 -4.403 424 2HG1 ILE 51 1HG1 ILE 51 -16.013 -1.184 -2.813 425 1HG2 ILE 51 1HG2 ILE 51 -18.687 -0.248 -1.201 426 2HG2 ILE 51 2HG2 ILE 51 -17.999 1.369 -1.350 427 3HG2 ILE 51 3HG2 ILE 51 -16.945 -0.014 -1.065 428 1HD1 ILE 51 1HD1 ILE 51 -18.355 -2.110 -1.987 429 2HD1 ILE 51 2HD1 ILE 51 -17.131 -3.208 -2.619 430 3HD1 ILE 51 3HD1 ILE 51 -18.464 -2.691 -3.649 431 H ARG 52 H ARG 52 -19.912 0.932 -1.495 432 HA ARG 52 HA ARG 52 -21.517 3.144 -2.627 433 1HB ARG 52 2HB ARG 52 -21.187 2.494 0.305 434 2HB ARG 52 1HB ARG 52 -22.539 3.299 -0.493 435 1HG ARG 52 2HG ARG 52 -23.040 1.186 -1.713 436 2HG ARG 52 1HG ARG 52 -21.743 0.391 -0.818 437 1HD ARG 52 2HD ARG 52 -22.967 1.195 1.308 438 2HD ARG 52 1HD ARG 52 -24.341 1.503 0.245 439 HE ARG 52 HE ARG 52 -23.648 -1.094 -0.368 440 1HH1 ARG 52 1HH2 ARG 52 -24.270 0.672 2.527 441 2HH1 ARG 52 2HH2 ARG 52 -24.897 -0.696 3.385 442 1HH2 ARG 52 1HH1 ARG 52 -24.462 -2.890 0.735 443 2HH2 ARG 52 2HH1 ARG 52 -25.005 -2.713 2.370 444 H ASP 53 H ASP 53 -21.324 4.983 -0.525 445 HA ASP 53 HA ASP 53 -19.053 6.534 -1.262 446 1HB ASP 53 2HB ASP 53 -20.513 6.753 1.370 447 2HB ASP 53 1HB ASP 53 -19.707 8.036 0.467 448 H ASN 54 H ASN 54 -18.308 7.289 1.457 449 HA ASN 54 HA ASN 54 -15.935 5.717 1.713 450 1HB ASN 54 2HB ASN 54 -15.655 6.908 3.887 451 2HB ASN 54 1HB ASN 54 -16.030 8.004 2.557 452 1HD2 ASN 54 1HD2 ASN 54 -16.609 8.818 5.198 453 2HD2 ASN 54 2HD2 ASN 54 -18.291 8.844 5.421 454 H THR 55 H THR 55 -15.896 3.645 2.337 455 HA THR 55 HA THR 55 -17.215 2.845 4.839 456 HB THR 55 HB THR 55 -17.747 1.005 2.546 457 HG1 THR 55 1HG THR 55 -19.749 2.805 2.936 458 1HG2 THR 55 1HG2 THR 55 -18.331 0.599 4.993 459 2HG2 THR 55 2HG2 THR 55 -19.661 0.419 3.849 460 3HG2 THR 55 3HG2 THR 55 -19.530 1.882 4.824 461 H ASP 56 H ASP 56 -16.445 0.639 5.492 462 HA ASP 56 HA ASP 56 -13.627 0.312 4.702 463 1HB ASP 56 2HB ASP 56 -15.278 -1.248 6.711 464 2HB ASP 56 1HB ASP 56 -13.522 -1.291 6.547 465 H VAL 57 H VAL 57 -12.759 -1.639 3.833 466 HA VAL 57 HA VAL 57 -14.695 -3.690 2.901 467 HB VAL 57 HB VAL 57 -14.113 -3.524 0.626 468 1HG1 VAL 57 1HG1 VAL 57 -14.524 -1.200 0.026 469 2HG1 VAL 57 2HG1 VAL 57 -14.006 -0.662 1.623 470 3HG1 VAL 57 3HG1 VAL 57 -15.488 -1.602 1.447 471 1HG2 VAL 57 1HG2 VAL 57 -11.711 -2.001 1.643 472 2HG2 VAL 57 2HG2 VAL 57 -12.200 -1.898 -0.048 473 3HG2 VAL 57 3HG2 VAL 57 -11.747 -3.454 0.647 474 H LEU 58 H LEU 58 -13.461 -5.622 1.997 475 HA LEU 58 HA LEU 58 -10.761 -5.888 3.265 476 1HB LEU 58 2HB LEU 58 -13.125 -7.147 4.119 477 2HB LEU 58 1HB LEU 58 -12.303 -8.383 3.173 478 HG LEU 58 HG LEU 58 -11.696 -8.436 5.592 479 1HD1 LEU 58 1HD1 LEU 58 -9.513 -7.749 3.610 480 2HD1 LEU 58 2HD1 LEU 58 -10.106 -9.352 4.042 481 3HD1 LEU 58 3HD1 LEU 58 -9.204 -8.400 5.218 482 1HD2 LEU 58 1HD2 LEU 58 -9.923 -6.095 5.410 483 2HD2 LEU 58 2HD2 LEU 58 -10.968 -6.617 6.729 484 3HD2 LEU 58 3HD2 LEU 58 -11.638 -5.679 5.397 485 H SER 59 H SER 59 -9.245 -7.005 1.982 486 HA SER 59 HA SER 59 -9.672 -7.145 -0.801 487 1HB SER 59 2HB SER 59 -7.434 -7.365 -0.566 488 2HB SER 59 1HB SER 59 -7.595 -8.022 1.055 489 HG SER 59 HG SER 59 -8.108 -9.464 -1.337 490 H ARG 60 H ARG 60 -9.769 -9.116 -2.182 491 HA ARG 60 HA ARG 60 -12.010 -10.742 -1.470 492 1HB ARG 60 2HB ARG 60 -11.076 -10.150 -3.816 493 2HB ARG 60 1HB ARG 60 -9.988 -11.514 -3.570 494 1HG ARG 60 2HG ARG 60 -11.762 -12.609 -4.585 495 2HG ARG 60 1HG ARG 60 -12.247 -12.757 -2.896 496 1HD ARG 60 2HD ARG 60 -14.182 -11.960 -4.027 497 2HD ARG 60 1HD ARG 60 -13.504 -10.540 -3.233 498 HE ARG 60 HE ARG 60 -12.331 -10.493 -5.734 499 1HH1 ARG 60 1HH2 ARG 60 -15.541 -10.760 -4.504 500 2HH1 ARG 60 2HH2 ARG 60 -16.269 -9.965 -5.859 501 1HH2 ARG 60 1HH1 ARG 60 -13.263 -9.453 -7.511 502 2HH2 ARG 60 2HH1 ARG 60 -14.980 -9.225 -7.562 503 H ASP 61 H ASP 61 -8.508 -11.422 -1.467 504 HA ASP 61 HA ASP 61 -9.009 -13.593 0.476 505 1HB ASP 61 2HB ASP 61 -7.557 -15.158 -0.934 506 2HB ASP 61 1HB ASP 61 -9.195 -14.879 -1.526 507 H ALA 62 H ALA 62 -6.275 -12.700 -1.667 508 HA ALA 62 HA ALA 62 -4.790 -11.768 0.728 509 1HB ALA 62 1HB ALA 62 -2.960 -13.230 0.423 510 2HB ALA 62 2HB ALA 62 -3.497 -13.703 -1.189 511 3HB ALA 62 3HB ALA 62 -4.372 -14.270 0.233 512 H PHE 63 H PHE 63 -2.805 -10.582 0.126 513 HA PHE 63 HA PHE 63 -2.598 -9.754 -2.709 514 1HB PHE 63 2HB PHE 63 -3.648 -8.058 -0.503 515 2HB PHE 63 1HB PHE 63 -2.433 -7.297 -1.529 516 HD1 PHE 63 1HD PHE 63 -5.677 -9.136 -1.614 517 HD2 PHE 63 2HD PHE 63 -2.973 -6.538 -3.707 518 HE1 PHE 63 1HE PHE 63 -7.387 -8.777 -3.374 519 HE2 PHE 63 2HE PHE 63 -4.683 -6.179 -5.468 520 HZ PHE 63 HZ PHE 63 -6.889 -7.299 -5.302 521 H LEU 64 H LEU 64 -0.476 -9.524 -3.224 522 HA LEU 64 HA LEU 64 1.538 -9.890 -1.137 523 1HB LEU 64 2HB LEU 64 1.584 -10.827 -3.541 524 2HB LEU 64 1HB LEU 64 2.063 -9.206 -4.035 525 HG LEU 64 HG LEU 64 3.526 -10.735 -1.868 526 1HD1 LEU 64 1HD1 LEU 64 3.799 -12.135 -3.757 527 2HD1 LEU 64 2HD1 LEU 64 5.230 -11.104 -3.773 528 3HD1 LEU 64 3HD1 LEU 64 3.888 -10.767 -4.866 529 1HD2 LEU 64 1HD2 LEU 64 4.168 -8.485 -1.731 530 2HD2 LEU 64 2HD2 LEU 64 3.991 -8.220 -3.465 531 3HD2 LEU 64 3HD2 LEU 64 5.369 -9.127 -2.848 532 H LEU 65 H LEU 65 2.109 -8.130 0.088 533 HA LEU 65 HA LEU 65 2.422 -5.535 -1.358 534 1HB LEU 65 2HB LEU 65 2.201 -4.993 1.411 535 2HB LEU 65 1HB LEU 65 1.058 -4.586 0.148 536 HG LEU 65 HG LEU 65 1.042 -7.335 1.350 537 1HD1 LEU 65 1HD1 LEU 65 -0.235 -4.798 2.417 538 2HD1 LEU 65 2HD1 LEU 65 0.944 -5.815 3.245 539 3HD1 LEU 65 3HD1 LEU 65 -0.683 -6.424 2.938 540 1HD2 LEU 65 1HD2 LEU 65 -1.060 -5.517 0.108 541 2HD2 LEU 65 2HD2 LEU 65 -1.346 -7.161 0.675 542 3HD2 LEU 65 3HD2 LEU 65 -0.282 -6.876 -0.699 543 HA PRO 66 HA PRO 66 6.644 -5.918 0.083 544 1HB PRO 66 2HB PRO 66 7.508 -3.449 -0.727 545 2HB PRO 66 1HB PRO 66 7.291 -4.813 -1.839 546 1HG PRO 66 2HG PRO 66 5.569 -2.448 -1.396 547 2HG PRO 66 1HG PRO 66 5.865 -3.369 -2.875 548 1HD PRO 66 2HD PRO 66 3.587 -3.597 -1.310 549 2HD PRO 66 1HD PRO 66 4.161 -4.824 -2.462 550 H GLN 67 H GLN 67 7.900 -5.009 1.893 551 HA GLN 67 HA GLN 67 6.632 -2.748 3.335 552 1HB GLN 67 2HB GLN 67 5.694 -5.033 4.115 553 2HB GLN 67 1HB GLN 67 7.283 -5.283 4.837 554 1HG GLN 67 2HG GLN 67 7.003 -3.055 6.001 555 2HG GLN 67 1HG GLN 67 5.334 -3.043 5.431 556 1HE2 GLN 67 1HE2 GLN 67 5.600 -6.200 5.754 557 2HE2 GLN 67 2HE2 GLN 67 5.254 -6.418 7.401 558 H CYS 68 H CYS 68 8.124 -1.464 4.315 559 HA CYS 68 HA CYS 68 10.962 -2.415 4.304 560 1HB CYS 68 2HB CYS 68 9.909 0.411 4.570 561 2HB CYS 68 1HB CYS 68 11.578 -0.075 4.273 562 H ASP 69 H ASP 69 11.912 -2.814 6.266 563 HA ASP 69 HA ASP 69 10.645 -1.576 8.691 564 1HB ASP 69 2HB ASP 69 10.238 -4.103 8.305 565 2HB ASP 69 1HB ASP 69 11.942 -4.299 8.719 566 H ARG 70 H ARG 70 12.055 -0.349 9.816 567 HA ARG 70 HA ARG 70 14.856 -0.206 9.137 568 1HB ARG 70 2HB ARG 70 13.301 1.590 10.230 569 2HB ARG 70 1HB ARG 70 13.730 0.797 11.745 570 1HG ARG 70 2HG ARG 70 16.183 1.040 10.929 571 2HG ARG 70 1HG ARG 70 15.531 2.217 9.788 572 1HD ARG 70 2HD ARG 70 16.194 3.472 11.712 573 2HD ARG 70 1HD ARG 70 14.436 3.356 11.792 574 HE ARG 70 HE ARG 70 15.752 1.201 13.236 575 1HH1 ARG 70 1HH2 ARG 70 14.719 4.490 13.288 576 2HH1 ARG 70 2HH2 ARG 70 14.566 4.554 15.012 577 1HH2 ARG 70 1HH1 ARG 70 15.558 1.265 15.487 578 2HH2 ARG 70 2HH1 ARG 70 15.040 2.729 16.258 579 H ILE 71 H ILE 71 16.594 -1.238 10.082 580 HA ILE 71 HA ILE 71 16.046 -2.963 12.467 581 HB ILE 71 HB ILE 71 17.655 -3.667 9.994 582 1HG1 ILE 71 2HG1 ILE 71 15.026 -3.839 10.104 583 2HG1 ILE 71 1HG1 ILE 71 15.960 -5.180 9.450 584 1HG2 ILE 71 1HG2 ILE 71 17.377 -4.999 12.690 585 2HG2 ILE 71 2HG2 ILE 71 18.852 -4.607 11.805 586 3HG2 ILE 71 3HG2 ILE 71 17.813 -5.918 11.248 587 1HD1 ILE 71 1HD1 ILE 71 14.110 -5.671 11.238 588 2HD1 ILE 71 2HD1 ILE 71 15.318 -5.105 12.389 589 3HD1 ILE 71 3HD1 ILE 71 15.663 -6.495 11.362 590 H LYS 72 H LYS 72 18.408 -1.123 10.576 591 HA LYS 72 HA LYS 72 19.870 -0.517 13.053 592 1HB LYS 72 2HB LYS 72 20.780 -2.731 12.116 593 2HB LYS 72 1HB LYS 72 21.401 -1.779 10.770 594 1HG LYS 72 2HG LYS 72 22.841 -0.524 12.172 595 2HG LYS 72 1HG LYS 72 21.998 -1.028 13.635 596 1HD LYS 72 2HD LYS 72 23.245 -3.141 11.910 597 2HD LYS 72 1HD LYS 72 24.296 -2.164 12.934 598 1HE LYS 72 2HE LYS 72 23.173 -2.854 14.921 599 2HE LYS 72 1HE LYS 72 21.826 -3.538 14.011 600 1HZ LYS 72 1HZ LYS 72 24.255 -4.694 13.156 601 2HZ LYS 72 2HZ LYS 72 22.901 -5.449 13.849 602 3HZ LYS 72 3HZ LYS 72 24.132 -4.830 14.841 603 H LEU 73 H LEU 73 21.847 0.951 12.415 604 HA LEU 73 HA LEU 73 22.552 2.953 11.426 605 1HB LEU 73 2HB LEU 73 21.073 2.080 8.933 606 2HB LEU 73 1HB LEU 73 22.533 3.056 9.048 607 HG LEU 73 HG LEU 73 22.348 0.133 9.822 608 1HD1 LEU 73 1HD1 LEU 73 23.918 -0.070 7.814 609 2HD1 LEU 73 2HD1 LEU 73 23.406 1.561 7.378 610 3HD1 LEU 73 3HD1 LEU 73 22.224 0.253 7.445 611 1HD2 LEU 73 1HD2 LEU 73 24.041 1.184 11.147 612 2HD2 LEU 73 2HD2 LEU 73 24.590 2.166 9.789 613 3HD2 LEU 73 3HD2 LEU 73 24.893 0.428 9.800 614 HA PRO 74 HA PRO 74 18.963 5.573 11.568 615 1HB PRO 74 2HB PRO 74 19.806 7.844 10.315 616 2HB PRO 74 1HB PRO 74 20.467 7.294 11.865 617 1HG PRO 74 2HG PRO 74 21.714 7.314 9.220 618 2HG PRO 74 1HG PRO 74 22.462 7.179 10.817 619 1HD PRO 74 2HD PRO 74 21.864 5.056 8.925 620 2HD PRO 74 1HD PRO 74 22.733 4.939 10.471 621 H CYS 75 H CYS 75 20.006 4.693 8.389 622 HA CYS 75 HA CYS 75 17.264 5.161 7.386 623 1HB CYS 75 2HB CYS 75 18.954 7.151 6.896 624 2HB CYS 75 1HB CYS 75 19.495 6.079 5.607 625 H HIS 76 H HIS 76 17.798 2.717 7.804 626 HA HIS 76 HA HIS 76 18.395 1.541 5.159 627 1HB HIS 76 2HB HIS 76 20.568 1.571 6.429 628 2HB HIS 76 1HB HIS 76 19.801 0.576 7.668 629 HD1 HIS 76 1HD HIS 76 20.641 -1.753 7.344 630 HD2 HIS 76 2HD HIS 76 19.733 0.076 3.705 631 HE1 HIS 76 1HE HIS 76 20.979 -3.513 5.551 632 HE2 HIS 76 2HE HIS 76 20.431 -2.410 3.334 633 H TYR 77 H TYR 77 16.617 0.292 4.811 634 HA TYR 77 HA TYR 77 15.418 -1.122 7.167 635 1HB TYR 77 2HB TYR 77 13.757 -0.729 4.742 636 2HB TYR 77 1HB TYR 77 13.319 -0.577 6.443 637 HD1 TYR 77 1HD TYR 77 13.275 1.543 7.508 638 HD2 TYR 77 2HD TYR 77 15.144 1.114 3.665 639 HE1 TYR 77 1HE TYR 77 13.488 4.008 7.336 640 HE2 TYR 77 2HE TYR 77 15.356 3.580 3.494 641 HH TYR 77 HH TYR 77 13.691 5.677 5.072 642 H LYS 78 H LYS 78 14.233 -3.153 6.530 643 HA LYS 78 HA LYS 78 15.844 -4.650 4.503 644 1HB LYS 78 2HB LYS 78 15.288 -6.657 5.735 645 2HB LYS 78 1HB LYS 78 15.871 -5.462 6.892 646 1HG LYS 78 2HG LYS 78 13.959 -5.955 8.037 647 2HG LYS 78 1HG LYS 78 13.190 -4.889 6.866 648 1HD LYS 78 2HD LYS 78 11.867 -6.809 6.696 649 2HD LYS 78 1HD LYS 78 13.028 -7.065 5.394 650 1HE LYS 78 2HE LYS 78 14.392 -8.486 6.852 651 2HE LYS 78 1HE LYS 78 13.296 -8.185 8.200 652 1HZ LYS 78 1HZ LYS 78 12.602 -9.526 5.643 653 2HZ LYS 78 2HZ LYS 78 11.507 -9.189 6.899 654 3HZ LYS 78 3HZ LYS 78 12.784 -10.281 7.150 655 H LEU 79 H LEU 79 14.674 -6.115 3.096 656 HA LEU 79 HA LEU 79 12.014 -5.063 2.371 657 1HB LEU 79 2HB LEU 79 14.063 -5.755 0.803 658 2HB LEU 79 1HB LEU 79 13.309 -7.342 0.914 659 HG LEU 79 HG LEU 79 12.412 -6.214 -1.031 660 1HD1 LEU 79 1HD1 LEU 79 10.107 -6.466 -0.600 661 2HD1 LEU 79 2HD1 LEU 79 10.266 -5.913 1.066 662 3HD1 LEU 79 3HD1 LEU 79 10.877 -7.501 0.602 663 1HD2 LEU 79 1HD2 LEU 79 12.890 -3.875 0.237 664 2HD2 LEU 79 2HD2 LEU 79 11.159 -4.013 0.548 665 3HD2 LEU 79 3HD2 LEU 79 11.760 -4.012 -1.108 666 H SER 80 H SER 80 10.165 -6.052 2.980 667 HA SER 80 HA SER 80 10.145 -8.980 3.460 668 1HB SER 80 2HB SER 80 10.439 -8.385 5.700 669 2HB SER 80 1HB SER 80 9.601 -6.848 5.505 670 HG SER 80 HG SER 80 8.576 -9.443 5.820 671 H SER 81 H SER 81 8.415 -9.749 2.334 672 HA SER 81 HA SER 81 5.951 -8.066 2.201 673 1HB SER 81 2HB SER 81 6.774 -9.615 -0.227 674 2HB SER 81 1HB SER 81 5.826 -8.134 -0.112 675 HG SER 81 HG SER 81 8.297 -7.761 0.888 676 H SER 82 H SER 82 4.013 -9.343 1.652 677 HA SER 82 HA SER 82 4.175 -12.252 1.640 678 1HB SER 82 2HB SER 82 4.528 -11.751 4.060 679 2HB SER 82 1HB SER 82 2.997 -10.881 4.079 680 HG SER 82 HG SER 82 3.353 -13.427 4.469 681 H THR 83 H THR 83 1.951 -13.206 1.566 682 HA THR 83 HA THR 83 0.114 -11.299 0.225 683 HB THR 83 HB THR 83 -0.822 -13.815 -0.301 684 HG1 THR 83 1HG THR 83 1.132 -14.513 0.895 685 1HG2 THR 83 1HG2 THR 83 -0.355 -12.055 -1.949 686 2HG2 THR 83 2HG2 THR 83 0.370 -13.580 -2.457 687 3HG2 THR 83 3HG2 THR 83 1.376 -12.318 -1.743 688 H ASN 84 H ASN 84 -1.573 -10.637 1.441 689 HA ASN 84 HA ASN 84 -3.148 -12.570 2.974 690 1HB ASN 84 2HB ASN 84 -2.896 -11.480 5.141 691 2HB ASN 84 1HB ASN 84 -1.304 -11.970 4.559 692 1HD2 ASN 84 1HD2 ASN 84 -3.467 -9.094 4.158 693 2HD2 ASN 84 2HD2 ASN 84 -2.224 -7.956 4.370 694 H THR 85 H THR 85 -5.197 -11.600 3.695 695 HA THR 85 HA THR 85 -6.155 -9.584 1.872 696 HB THR 85 HB THR 85 -7.853 -9.929 4.209 697 HG1 THR 85 1HG THR 85 -7.399 -12.360 2.947 698 1HG2 THR 85 1HG2 THR 85 -9.297 -11.064 2.435 699 2HG2 THR 85 2HG2 THR 85 -8.000 -10.720 1.296 700 3HG2 THR 85 3HG2 THR 85 -8.840 -9.398 2.104 701 H ILE 86 H ILE 86 -6.963 -7.433 2.524 702 HA ILE 86 HA ILE 86 -5.801 -6.393 5.064 703 HB ILE 86 HB ILE 86 -4.424 -4.876 4.039 704 1HG1 ILE 86 2HG1 ILE 86 -6.547 -4.703 1.877 705 2HG1 ILE 86 1HG1 ILE 86 -6.145 -3.490 3.093 706 1HG2 ILE 86 1HG2 ILE 86 -3.897 -7.110 3.008 707 2HG2 ILE 86 2HG2 ILE 86 -3.425 -5.740 2.008 708 3HG2 ILE 86 3HG2 ILE 86 -4.886 -6.648 1.623 709 1HD1 ILE 86 1HD1 ILE 86 -4.515 -4.335 0.697 710 2HD1 ILE 86 2HD1 ILE 86 -3.803 -3.448 2.045 711 3HD1 ILE 86 3HD1 ILE 86 -5.106 -2.724 1.102 712 H CYS 87 H CYS 87 -6.718 -4.154 5.550 713 HA CYS 87 HA CYS 87 -9.529 -3.988 4.536 714 1HB CYS 87 2HB CYS 87 -9.708 -4.442 6.843 715 2HB CYS 87 1HB CYS 87 -8.315 -3.448 7.244 716 H ILE 88 H ILE 88 -10.121 -2.084 3.584 717 HA ILE 88 HA ILE 88 -8.506 0.350 4.055 718 HB ILE 88 HB ILE 88 -7.279 -0.018 2.174 719 1HG1 ILE 88 2HG1 ILE 88 -9.888 0.288 0.655 720 2HG1 ILE 88 1HG1 ILE 88 -9.022 1.643 1.377 721 1HG2 ILE 88 1HG2 ILE 88 -7.880 -1.753 0.491 722 2HG2 ILE 88 2HG2 ILE 88 -9.395 -2.024 1.352 723 3HG2 ILE 88 3HG2 ILE 88 -7.860 -2.380 2.137 724 1HD1 ILE 88 1HD1 ILE 88 -7.643 1.741 -0.391 725 2HD1 ILE 88 2HD1 ILE 88 -8.552 0.436 -1.150 726 3HD1 ILE 88 3HD1 ILE 88 -7.157 0.065 -0.141 727 H THR 89 H THR 89 -9.643 2.295 3.252 728 HA THR 89 HA THR 89 -12.582 1.784 3.031 729 HB THR 89 HB THR 89 -10.962 3.796 4.478 730 HG1 THR 89 1HG THR 89 -12.363 3.288 5.973 731 1HG2 THR 89 1HG2 THR 89 -11.945 5.352 2.941 732 2HG2 THR 89 2HG2 THR 89 -12.926 5.415 4.404 733 3HG2 THR 89 3HG2 THR 89 -13.500 4.521 2.997 734 H CYS 90 H CYS 90 -13.651 2.495 1.256 735 HA CYS 90 HA CYS 90 -12.201 4.310 -0.640 736 1HB CYS 90 2HB CYS 90 -14.030 2.070 -1.520 737 2HB CYS 90 1HB CYS 90 -12.905 3.007 -2.504 738 H VAL 91 H VAL 91 -13.603 5.694 -1.885 739 HA VAL 91 HA VAL 91 -16.086 6.371 -0.475 740 HB VAL 91 HB VAL 91 -16.150 8.300 -1.994 741 1HG1 VAL 91 1HG1 VAL 91 -13.306 7.830 -1.066 742 2HG1 VAL 91 2HG1 VAL 91 -14.625 8.247 0.027 743 3HG1 VAL 91 3HG1 VAL 91 -14.136 9.377 -1.235 744 1HG2 VAL 91 1HG2 VAL 91 -14.140 8.518 -3.583 745 2HG2 VAL 91 2HG2 VAL 91 -15.403 7.388 -4.068 746 3HG2 VAL 91 3HG2 VAL 91 -13.909 6.786 -3.351 747 H ASN 92 H ASN 92 -17.326 7.391 -2.989 748 HA ASN 92 HA ASN 92 -19.189 5.439 -3.546 749 1HB ASN 92 2HB ASN 92 -18.975 7.874 -4.438 750 2HB ASN 92 1HB ASN 92 -18.117 7.130 -5.786 751 1HD2 ASN 92 1HD2 ASN 92 -19.717 7.295 -7.428 752 2HD2 ASN 92 2HD2 ASN 92 -21.255 6.585 -7.312 753 H GLN 93 H GLN 93 -16.002 5.729 -4.861 754 HA GLN 93 HA GLN 93 -15.740 2.971 -5.481 755 1HB GLN 93 2HB GLN 93 -15.691 3.286 -8.047 756 2HB GLN 93 1HB GLN 93 -17.273 3.176 -7.277 757 1HG GLN 93 2HG GLN 93 -17.624 5.519 -7.409 758 2HG GLN 93 1HG GLN 93 -15.921 5.837 -7.742 759 1HE2 GLN 93 1HE2 GLN 93 -15.135 4.609 -9.872 760 2HE2 GLN 93 2HE2 GLN 93 -16.201 4.700 -11.190 761 H LEU 94 H LEU 94 -14.095 4.763 -4.235 762 HA LEU 94 HA LEU 94 -11.730 4.710 -6.005 763 1HB LEU 94 2HB LEU 94 -13.201 7.070 -5.731 764 2HB LEU 94 1HB LEU 94 -11.879 7.269 -4.586 765 HG LEU 94 HG LEU 94 -10.350 6.469 -6.531 766 1HD1 LEU 94 1HD1 LEU 94 -12.913 7.167 -7.985 767 2HD1 LEU 94 2HD1 LEU 94 -11.981 5.673 -8.096 768 3HD1 LEU 94 3HD1 LEU 94 -11.336 7.167 -8.774 769 1HD2 LEU 94 1HD2 LEU 94 -10.169 8.765 -7.377 770 2HD2 LEU 94 2HD2 LEU 94 -10.441 8.787 -5.636 771 3HD2 LEU 94 3HD2 LEU 94 -11.769 9.143 -6.740 772 HA PRO 95 HA PRO 95 -10.388 3.540 -1.839 773 1HB PRO 95 2HB PRO 95 -7.977 2.498 -2.529 774 2HB PRO 95 1HB PRO 95 -9.502 1.643 -2.837 775 1HG PRO 95 2HG PRO 95 -7.795 3.200 -4.713 776 2HG PRO 95 1HG PRO 95 -8.679 1.687 -4.979 777 1HD PRO 95 2HD PRO 95 -9.582 4.170 -5.800 778 2HD PRO 95 1HD PRO 95 -10.641 2.775 -5.492 779 H ILE 96 H ILE 96 -9.494 4.978 -0.373 780 HA ILE 96 HA ILE 96 -7.083 6.509 -1.208 781 HB ILE 96 HB ILE 96 -8.044 8.618 -0.454 782 1HG1 ILE 96 2HG1 ILE 96 -10.618 8.554 -0.030 783 2HG1 ILE 96 1HG1 ILE 96 -10.374 6.837 0.285 784 1HG2 ILE 96 1HG2 ILE 96 -8.489 7.611 -2.811 785 2HG2 ILE 96 2HG2 ILE 96 -9.442 9.003 -2.305 786 3HG2 ILE 96 3HG2 ILE 96 -10.139 7.384 -2.236 787 1HD1 ILE 96 1HD1 ILE 96 -8.442 8.558 1.690 788 2HD1 ILE 96 2HD1 ILE 96 -9.427 7.233 2.300 789 3HD1 ILE 96 3HD1 ILE 96 -10.117 8.846 2.157 790 H HIS 97 H HIS 97 -8.675 4.693 1.205 791 HA HIS 97 HA HIS 97 -6.787 5.828 3.247 792 1HB HIS 97 2HB HIS 97 -9.656 5.241 3.377 793 2HB HIS 97 1HB HIS 97 -8.753 4.478 4.683 794 HD1 HIS 97 1HD HIS 97 -6.601 6.592 5.211 795 HD2 HIS 97 2HD HIS 97 -10.621 7.537 4.611 796 HE1 HIS 97 1HE HIS 97 -6.973 8.861 6.277 797 HE2 HIS 97 2HE HIS 97 -9.415 9.445 5.917 798 H PHE 98 H PHE 98 -5.526 4.402 4.375 799 HA PHE 98 HA PHE 98 -5.669 1.526 3.546 800 1HB PHE 98 2HB PHE 98 -3.554 2.503 2.904 801 2HB PHE 98 1HB PHE 98 -3.359 3.257 4.485 802 HD1 PHE 98 1HD PHE 98 -2.328 2.095 6.267 803 HD2 PHE 98 2HD PHE 98 -3.608 -0.052 2.775 804 HE1 PHE 98 1HE PHE 98 -1.177 0.062 7.097 805 HE2 PHE 98 2HE PHE 98 -2.458 -2.087 3.605 806 HZ PHE 98 HZ PHE 98 -1.242 -2.029 5.765 807 H ALA 99 H ALA 99 -6.963 0.640 5.147 808 HA ALA 99 HA ALA 99 -7.006 1.465 7.874 809 1HB ALA 99 1HB ALA 99 -8.564 -0.156 6.420 810 2HB ALA 99 2HB ALA 99 -8.516 -0.250 8.180 811 3HB ALA 99 3HB ALA 99 -7.580 -1.386 7.211 812 H GLY 100 H GLY 100 -5.780 -1.731 6.813 813 1HA GLY 100 2HA GLY 100 -3.207 -1.343 8.097 814 2HA GLY 100 1HA GLY 100 -4.289 -2.329 9.081 815 H VAL 101 H VAL 101 -3.523 -4.393 8.827 816 HA VAL 101 HA VAL 101 -3.397 -5.455 6.036 817 HB VAL 101 HB VAL 101 -1.426 -6.184 8.218 818 1HG1 VAL 101 1HG1 VAL 101 -0.223 -7.271 6.412 819 2HG1 VAL 101 2HG1 VAL 101 -1.363 -6.644 5.223 820 3HG1 VAL 101 3HG1 VAL 101 -1.888 -7.851 6.397 821 1HG2 VAL 101 1HG2 VAL 101 -1.033 -4.343 5.837 822 2HG2 VAL 101 2HG2 VAL 101 0.195 -4.792 7.020 823 3HG2 VAL 101 3HG2 VAL 101 -1.180 -3.803 7.510 824 H GLY 102 H GLY 102 -3.985 -7.675 5.859 825 1HA GLY 102 2HA GLY 102 -4.771 -9.783 6.664 826 2HA GLY 102 1HA GLY 102 -4.764 -9.136 8.303 827 H SER 103 H SER 103 -6.517 -7.573 8.839 828 HA SER 103 HA SER 103 -8.775 -7.224 7.098 829 1HB SER 103 2HB SER 103 -10.372 -8.670 8.333 830 2HB SER 103 1HB SER 103 -9.110 -9.614 7.548 831 HG SER 103 HG SER 103 -9.339 -10.305 9.670 832 H CYS 104 H CYS 104 -10.224 -5.728 7.982 833 HA CYS 104 HA CYS 104 -9.281 -4.063 10.088 834 1HB CYS 104 2HB CYS 104 -11.618 -4.201 8.347 835 2HB CYS 104 1HB CYS 104 -12.060 -3.659 9.965 836 HA PRO 105 HA PRO 105 -10.654 -6.070 13.767 837 1HB PRO 105 2HB PRO 105 -11.518 -3.977 15.309 838 2HB PRO 105 1HB PRO 105 -9.806 -4.288 14.965 839 1HG PRO 105 2HG PRO 105 -11.660 -2.324 13.705 840 2HG PRO 105 1HG PRO 105 -9.957 -2.137 14.161 841 1HD PRO 105 2HD PRO 105 -10.756 -2.602 11.584 842 2HD PRO 105 1HD PRO 105 -9.186 -3.143 12.220 Start of MODEL 3 1 HN PCA 1 H PCA 1 -6.611 8.938 1.349 2 HA PCA 1 HA PCA 1 -8.165 10.909 2.126 3 1HB PCA 1 1HB PCA 1 -6.877 12.324 3.356 4 2HB PCA 1 2HB PCA 1 -6.270 12.932 1.833 5 1HG PCA 1 1HG PCA 1 -4.864 11.628 3.686 6 2HG PCA 1 2HG PCA 1 -4.458 11.729 1.957 7 H ASP 2 H ASP 2 -6.222 9.846 -0.346 8 HA ASP 2 HA ASP 2 -7.920 11.102 -2.333 9 1HB ASP 2 2HB ASP 2 -5.362 12.355 -1.626 10 2HB ASP 2 1HB ASP 2 -5.439 11.922 -3.332 11 H TRP 3 H TRP 3 -8.079 9.586 -3.934 12 HA TRP 3 HA TRP 3 -6.659 7.155 -3.873 13 1HB TRP 3 2HB TRP 3 -8.632 7.074 -5.119 14 2HB TRP 3 1HB TRP 3 -8.265 8.564 -5.983 15 HD1 TRP 3 HD TRP 3 -8.157 7.856 -8.416 16 HE1 TRP 3 1HE TRP 3 -6.833 6.110 -9.769 17 HE3 TRP 3 3HE TRP 3 -5.917 5.267 -4.604 18 HZ2 TRP 3 2HZ TRP 3 -5.069 3.916 -9.307 19 HZ3 TRP 3 3HZ TRP 3 -4.425 3.361 -5.100 20 HH2 TRP 3 HH TRP 3 -3.997 2.679 -7.444 21 H GLU 4 H GLU 4 -5.865 10.203 -5.432 22 HA GLU 4 HA GLU 4 -3.787 9.264 -7.147 23 1HB GLU 4 2HB GLU 4 -4.794 11.614 -7.067 24 2HB GLU 4 1HB GLU 4 -3.752 11.910 -5.676 25 1HG GLU 4 2HG GLU 4 -2.533 12.690 -7.578 26 2HG GLU 4 1HG GLU 4 -1.805 11.144 -7.139 27 H THR 5 H THR 5 -3.098 11.120 -4.171 28 HA THR 5 HA THR 5 -0.487 10.176 -3.819 29 HB THR 5 HB THR 5 -1.360 11.981 -2.446 30 HG1 THR 5 1HG THR 5 -0.037 11.381 -0.955 31 1HG2 THR 5 1HG2 THR 5 -3.105 11.739 -0.875 32 2HG2 THR 5 2HG2 THR 5 -2.992 9.981 -0.893 33 3HG2 THR 5 3HG2 THR 5 -3.675 10.834 -2.276 34 H PHE 6 H PHE 6 -3.489 8.790 -2.430 35 HA PHE 6 HA PHE 6 -2.381 6.625 -1.054 36 1HB PHE 6 2HB PHE 6 -4.861 7.291 -1.325 37 2HB PHE 6 1HB PHE 6 -4.828 6.324 -2.798 38 HD1 PHE 6 1HD PHE 6 -5.215 4.015 -2.674 39 HD2 PHE 6 2HD PHE 6 -3.930 6.136 0.833 40 HE1 PHE 6 1HE PHE 6 -5.503 1.955 -1.323 41 HE2 PHE 6 2HE PHE 6 -4.218 4.078 2.182 42 HZ PHE 6 HZ PHE 6 -5.006 1.986 1.105 43 H GLN 7 H GLN 7 -2.509 7.217 -4.468 44 HA GLN 7 HA GLN 7 -1.818 4.423 -5.133 45 1HB GLN 7 2HB GLN 7 -3.341 5.865 -6.575 46 2HB GLN 7 1HB GLN 7 -1.916 6.811 -6.995 47 1HG GLN 7 2HG GLN 7 -1.938 3.813 -7.331 48 2HG GLN 7 1HG GLN 7 -2.595 4.872 -8.577 49 1HE2 GLN 7 1HE2 GLN 7 -0.717 7.050 -8.305 50 2HE2 GLN 7 2HE2 GLN 7 0.805 6.494 -8.811 51 H LYS 8 H LYS 8 -0.278 7.458 -4.497 52 HA LYS 8 HA LYS 8 2.210 6.693 -5.883 53 1HB LYS 8 2HB LYS 8 1.770 9.044 -4.036 54 2HB LYS 8 1HB LYS 8 3.015 8.863 -5.270 55 1HG LYS 8 2HG LYS 8 0.103 8.745 -6.041 56 2HG LYS 8 1HG LYS 8 0.888 10.302 -5.807 57 1HD LYS 8 2HD LYS 8 1.903 8.130 -7.667 58 2HD LYS 8 1HD LYS 8 0.955 9.522 -8.182 59 1HE LYS 8 2HE LYS 8 2.994 10.498 -8.495 60 2HE LYS 8 1HE LYS 8 2.948 10.748 -6.751 61 1HZ LYS 8 1HZ LYS 8 4.772 9.246 -8.188 62 2HZ LYS 8 2HZ LYS 8 3.819 8.125 -7.338 63 3HZ LYS 8 3HZ LYS 8 4.634 9.358 -6.501 64 H LYS 9 H LYS 9 1.298 7.363 -2.465 65 HA LYS 9 HA LYS 9 3.886 6.241 -1.608 66 1HB LYS 9 2HB LYS 9 3.145 6.906 0.665 67 2HB LYS 9 1HB LYS 9 3.089 8.242 -0.483 68 1HG LYS 9 2HG LYS 9 0.611 7.539 -0.845 69 2HG LYS 9 1HG LYS 9 0.800 6.651 0.667 70 1HD LYS 9 2HD LYS 9 1.564 8.751 1.769 71 2HD LYS 9 1HD LYS 9 1.258 9.621 0.266 72 1HE LYS 9 2HE LYS 9 -0.730 8.293 2.103 73 2HE LYS 9 1HE LYS 9 -0.718 9.954 1.512 74 1HZ LYS 9 1HZ LYS 9 -1.207 9.172 -0.692 75 2HZ LYS 9 2HZ LYS 9 -2.368 8.556 0.386 76 3HZ LYS 9 3HZ LYS 9 -1.122 7.555 -0.188 77 H HIS 10 H HIS 10 0.439 5.492 -0.862 78 HA HIS 10 HA HIS 10 1.114 3.094 0.583 79 1HB HIS 10 2HB HIS 10 -1.443 4.097 -0.663 80 2HB HIS 10 1HB HIS 10 -1.356 2.527 0.134 81 HD1 HIS 10 1HD HIS 10 -0.739 2.534 2.710 82 HD2 HIS 10 2HD HIS 10 -1.481 6.304 1.085 83 HE1 HIS 10 1HE HIS 10 -1.057 4.111 4.669 84 HE2 HIS 10 2HE HIS 10 -1.508 6.407 3.691 85 H LEU 11 H LEU 11 1.034 3.712 -2.813 86 HA LEU 11 HA LEU 11 1.104 0.743 -3.273 87 1HB LEU 11 2HB LEU 11 -0.355 2.915 -4.676 88 2HB LEU 11 1HB LEU 11 0.392 1.704 -5.711 89 HG LEU 11 HG LEU 11 -0.740 -0.073 -4.361 90 1HD1 LEU 11 1HD1 LEU 11 -1.194 0.898 -2.270 91 2HD1 LEU 11 2HD1 LEU 11 -2.778 0.879 -3.035 92 3HD1 LEU 11 3HD1 LEU 11 -1.841 2.373 -2.982 93 1HD2 LEU 11 1HD2 LEU 11 -2.555 2.025 -5.583 94 2HD2 LEU 11 2HD2 LEU 11 -2.975 0.332 -5.319 95 3HD2 LEU 11 3HD2 LEU 11 -1.707 0.758 -6.469 96 H THR 12 H THR 12 2.545 0.012 -4.923 97 HA THR 12 HA THR 12 4.547 2.029 -5.859 98 HB THR 12 HB THR 12 5.669 0.953 -4.039 99 HG1 THR 12 1HG THR 12 7.325 0.599 -5.248 100 1HG2 THR 12 1HG2 THR 12 5.681 -1.801 -4.774 101 2HG2 THR 12 2HG2 THR 12 4.000 -1.275 -4.749 102 3HG2 THR 12 3HG2 THR 12 5.010 -1.074 -3.320 103 H ASP 13 H ASP 13 6.144 0.235 -7.325 104 HA ASP 13 HA ASP 13 4.162 -0.815 -9.317 105 1HB ASP 13 2HB ASP 13 6.921 0.255 -9.943 106 2HB ASP 13 1HB ASP 13 5.626 -0.120 -11.081 107 H THR 14 H THR 14 6.099 -2.030 -7.040 108 HA THR 14 HA THR 14 6.641 -4.440 -8.662 109 HB THR 14 HB THR 14 8.678 -3.060 -8.948 110 HG1 THR 14 1HG THR 14 9.966 -4.734 -8.580 111 1HG2 THR 14 1HG2 THR 14 10.038 -2.450 -7.050 112 2HG2 THR 14 2HG2 THR 14 8.971 -3.319 -5.948 113 3HG2 THR 14 3HG2 THR 14 8.404 -1.857 -6.753 114 H LYS 15 H LYS 15 7.136 -6.309 -7.329 115 HA LYS 15 HA LYS 15 5.779 -6.234 -4.751 116 1HB LYS 15 2HB LYS 15 7.399 -8.459 -6.030 117 2HB LYS 15 1HB LYS 15 6.293 -8.634 -4.666 118 1HG LYS 15 2HG LYS 15 4.396 -8.060 -6.029 119 2HG LYS 15 1HG LYS 15 5.435 -7.585 -7.374 120 1HD LYS 15 2HD LYS 15 6.249 -9.916 -7.559 121 2HD LYS 15 1HD LYS 15 5.179 -10.385 -6.237 122 1HE LYS 15 2HE LYS 15 3.221 -9.711 -7.548 123 2HE LYS 15 1HE LYS 15 4.266 -9.170 -8.862 124 1HZ LYS 15 1HZ LYS 15 3.262 -11.485 -9.030 125 2HZ LYS 15 2HZ LYS 15 4.381 -11.939 -7.836 126 3HZ LYS 15 3HZ LYS 15 4.925 -11.338 -9.330 127 H LYS 16 H LYS 16 8.990 -5.771 -5.849 128 HA LYS 16 HA LYS 16 10.001 -5.963 -3.034 129 1HB LYS 16 2HB LYS 16 11.456 -6.530 -5.637 130 2HB LYS 16 1HB LYS 16 12.229 -6.475 -4.052 131 1HG LYS 16 2HG LYS 16 11.218 -8.440 -3.334 132 2HG LYS 16 1HG LYS 16 9.831 -8.242 -4.405 133 1HD LYS 16 2HD LYS 16 11.059 -8.946 -6.310 134 2HD LYS 16 1HD LYS 16 12.605 -8.767 -5.478 135 1HE LYS 16 2HE LYS 16 11.921 -10.594 -3.911 136 2HE LYS 16 1HE LYS 16 10.457 -10.820 -4.869 137 1HZ LYS 16 1HZ LYS 16 11.784 -12.301 -5.912 138 2HZ LYS 16 2HZ LYS 16 13.221 -11.493 -5.504 139 3HZ LYS 16 3HZ LYS 16 12.259 -10.929 -6.786 140 H VAL 17 H VAL 17 9.056 -3.632 -3.261 141 HA VAL 17 HA VAL 17 10.176 -1.634 -4.873 142 HB VAL 17 HB VAL 17 9.615 -0.048 -3.074 143 1HG1 VAL 17 1HG1 VAL 17 7.882 -1.261 -4.551 144 2HG1 VAL 17 2HG1 VAL 17 7.295 -0.429 -3.111 145 3HG1 VAL 17 3HG1 VAL 17 7.495 -2.180 -3.100 146 1HG2 VAL 17 1HG2 VAL 17 9.490 -2.602 -1.469 147 2HG2 VAL 17 2HG2 VAL 17 8.563 -1.184 -0.979 148 3HG2 VAL 17 3HG2 VAL 17 10.321 -1.097 -1.081 149 H LYS 18 H LYS 18 11.664 0.127 -4.057 150 HA LYS 18 HA LYS 18 14.100 -1.159 -2.942 151 1HB LYS 18 2HB LYS 18 15.064 1.185 -3.712 152 2HB LYS 18 1HB LYS 18 14.752 -0.074 -4.908 153 1HG LYS 18 2HG LYS 18 12.602 0.907 -5.465 154 2HG LYS 18 1HG LYS 18 12.763 2.089 -4.166 155 1HD LYS 18 2HD LYS 18 13.351 3.117 -6.316 156 2HD LYS 18 1HD LYS 18 14.773 3.021 -5.280 157 1HE LYS 18 2HE LYS 18 15.726 1.281 -6.523 158 2HE LYS 18 1HE LYS 18 14.175 0.784 -7.200 159 1HZ LYS 18 1HZ LYS 18 14.938 3.488 -7.843 160 2HZ LYS 18 2HZ LYS 18 14.332 2.260 -8.849 161 3HZ LYS 18 3HZ LYS 18 15.988 2.313 -8.469 162 H CYS 19 H CYS 19 12.723 -1.039 -0.887 163 HA CYS 19 HA CYS 19 11.795 1.005 0.561 164 1HB CYS 19 2HB CYS 19 13.805 -1.063 1.453 165 2HB CYS 19 1HB CYS 19 13.048 0.058 2.584 166 H ASP 20 H ASP 20 15.320 0.521 0.152 167 HA ASP 20 HA ASP 20 16.354 2.549 1.715 168 1HB ASP 20 2HB ASP 20 17.756 1.081 0.324 169 2HB ASP 20 1HB ASP 20 17.187 1.902 -1.128 170 H VAL 21 H VAL 21 14.802 2.906 -1.439 171 HA VAL 21 HA VAL 21 14.980 5.869 -1.180 172 HB VAL 21 HB VAL 21 13.888 4.386 -3.565 173 1HG1 VAL 21 1HG1 VAL 21 15.355 7.014 -3.183 174 2HG1 VAL 21 2HG1 VAL 21 13.635 6.819 -3.514 175 3HG1 VAL 21 3HG1 VAL 21 14.823 6.375 -4.738 176 1HG2 VAL 21 1HG2 VAL 21 16.306 4.574 -4.438 177 2HG2 VAL 21 2HG2 VAL 21 15.978 3.289 -3.275 178 3HG2 VAL 21 3HG2 VAL 21 16.773 4.772 -2.748 179 H GLU 22 H GLU 22 12.680 3.180 -1.495 180 HA GLU 22 HA GLU 22 10.282 4.668 -1.739 181 1HB GLU 22 2HB GLU 22 10.949 1.980 -1.375 182 2HB GLU 22 1HB GLU 22 10.015 2.372 0.067 183 1HG GLU 22 2HG GLU 22 8.409 1.676 -1.544 184 2HG GLU 22 1HG GLU 22 8.304 3.436 -1.523 185 H MET 23 H MET 23 12.563 4.887 0.631 186 HA MET 23 HA MET 23 10.597 6.019 2.585 187 1HB MET 23 2HB MET 23 13.148 4.515 3.252 188 2HB MET 23 1HB MET 23 12.032 5.231 4.414 189 1HG MET 23 2HG MET 23 10.252 3.728 3.690 190 2HG MET 23 1HG MET 23 11.291 3.061 2.431 191 1HE MET 23 1HE MET 23 10.857 3.958 5.958 192 2HE MET 23 2HE MET 23 11.656 2.740 6.947 193 3HE MET 23 3HE MET 23 10.125 2.361 6.163 194 H ALA 24 H ALA 24 14.029 5.966 1.576 195 HA ALA 24 HA ALA 24 14.611 8.520 2.817 196 1HB ALA 24 1HB ALA 24 16.312 6.729 2.224 197 2HB ALA 24 2HB ALA 24 16.744 8.361 1.712 198 3HB ALA 24 3HB ALA 24 16.113 7.206 0.538 199 H LYS 25 H LYS 25 12.541 7.853 0.448 200 HA LYS 25 HA LYS 25 13.143 9.512 -1.745 201 1HB LYS 25 2HB LYS 25 10.850 8.139 -0.664 202 2HB LYS 25 1HB LYS 25 10.344 9.741 -1.179 203 1HG LYS 25 2HG LYS 25 10.493 9.186 -3.368 204 2HG LYS 25 1HG LYS 25 12.101 8.506 -3.167 205 1HD LYS 25 2HD LYS 25 11.317 6.364 -2.882 206 2HD LYS 25 1HD LYS 25 9.844 6.891 -2.068 207 1HE LYS 25 2HE LYS 25 9.337 5.947 -4.291 208 2HE LYS 25 1HE LYS 25 8.923 7.660 -4.224 209 1HZ LYS 25 1HZ LYS 25 10.121 7.683 -6.119 210 2HZ LYS 25 2HZ LYS 25 11.037 6.313 -5.706 211 3HZ LYS 25 3HZ LYS 25 11.427 7.830 -5.045 212 H ALA 26 H ALA 26 11.119 11.456 -1.872 213 HA ALA 26 HA ALA 26 12.162 13.452 0.084 214 1HB ALA 26 1HB ALA 26 11.245 15.128 -1.514 215 2HB ALA 26 2HB ALA 26 10.703 13.809 -2.552 216 3HB ALA 26 3HB ALA 26 12.426 14.059 -2.270 217 H LEU 27 H LEU 27 9.290 11.723 -0.843 218 HA LEU 27 HA LEU 27 7.540 13.581 0.660 219 1HB LEU 27 2HB LEU 27 5.703 12.259 -0.165 220 2HB LEU 27 1HB LEU 27 6.811 12.522 -1.508 221 HG LEU 27 HG LEU 27 7.801 10.188 -0.393 222 1HD1 LEU 27 1HD1 LEU 27 5.895 9.947 1.114 223 2HD1 LEU 27 2HD1 LEU 27 5.797 8.718 -0.146 224 3HD1 LEU 27 3HD1 LEU 27 4.770 10.148 -0.231 225 1HD2 LEU 27 1HD2 LEU 27 6.687 9.077 -2.339 226 2HD2 LEU 27 2HD2 LEU 27 7.496 10.581 -2.781 227 3HD2 LEU 27 3HD2 LEU 27 5.742 10.545 -2.594 228 H PHE 28 H PHE 28 9.599 11.120 1.447 229 HA PHE 28 HA PHE 28 7.878 10.196 3.723 230 1HB PHE 28 2HB PHE 28 10.030 8.863 2.110 231 2HB PHE 28 1HB PHE 28 9.810 8.379 3.788 232 HD1 PHE 28 1HD PHE 28 8.846 7.636 0.519 233 HD2 PHE 28 2HD PHE 28 7.188 8.106 4.455 234 HE1 PHE 28 1HE PHE 28 6.909 6.230 -0.127 235 HE2 PHE 28 2HE PHE 28 5.251 6.702 3.806 236 HZ PHE 28 HZ PHE 28 5.112 5.763 1.515 237 H ASP 29 H ASP 29 11.244 11.031 2.858 238 HA ASP 29 HA ASP 29 12.751 12.376 4.090 239 1HB ASP 29 2HB ASP 29 10.490 13.190 5.252 240 2HB ASP 29 1HB ASP 29 11.106 12.221 6.592 241 H CYS 30 H CYS 30 12.748 9.505 3.879 242 HA CYS 30 HA CYS 30 13.801 7.634 4.821 243 1HB CYS 30 2HB CYS 30 15.735 9.115 4.774 244 2HB CYS 30 1HB CYS 30 15.241 9.857 6.295 245 H LYS 31 H LYS 31 11.482 7.481 5.912 246 HA LYS 31 HA LYS 31 11.312 8.039 8.745 247 1HB LYS 31 2HB LYS 31 9.757 5.932 7.227 248 2HB LYS 31 1HB LYS 31 9.269 6.760 8.699 249 1HG LYS 31 2HG LYS 31 9.660 8.056 5.988 250 2HG LYS 31 1HG LYS 31 8.105 7.678 6.719 251 1HD LYS 31 2HD LYS 31 10.162 9.676 7.702 252 2HD LYS 31 1HD LYS 31 8.542 10.013 7.103 253 1HE LYS 31 2HE LYS 31 9.348 8.774 9.724 254 2HE LYS 31 1HE LYS 31 8.257 10.124 9.425 255 1HZ LYS 31 1HZ LYS 31 7.238 7.879 10.010 256 2HZ LYS 31 2HZ LYS 31 7.639 7.416 8.426 257 3HZ LYS 31 3HZ LYS 31 6.582 8.719 8.692 258 H LYS 32 H LYS 32 10.235 5.239 9.254 259 HA LYS 32 HA LYS 32 12.795 3.718 9.404 260 1HB LYS 32 2HB LYS 32 12.215 3.088 11.763 261 2HB LYS 32 1HB LYS 32 12.589 4.801 11.573 262 1HG LYS 32 2HG LYS 32 10.204 5.347 11.491 263 2HG LYS 32 1HG LYS 32 9.786 3.637 11.589 264 1HD LYS 32 2HD LYS 32 11.543 4.803 13.725 265 2HD LYS 32 1HD LYS 32 9.815 5.148 13.773 266 1HE LYS 32 2HE LYS 32 10.845 2.328 13.450 267 2HE LYS 32 1HE LYS 32 10.631 3.055 15.041 268 1HZ LYS 32 1HZ LYS 32 8.526 2.802 12.962 269 2HZ LYS 32 2HZ LYS 32 8.322 3.485 14.504 270 3HZ LYS 32 3HZ LYS 32 8.665 1.828 14.344 271 H THR 33 H THR 33 9.276 3.768 9.487 272 HA THR 33 HA THR 33 9.286 0.891 8.669 273 HB THR 33 HB THR 33 7.136 2.137 10.398 274 HG1 THR 33 1HG THR 33 8.347 1.793 12.061 275 1HG2 THR 33 1HG2 THR 33 6.479 -0.156 10.777 276 2HG2 THR 33 2HG2 THR 33 7.912 -0.754 9.939 277 3HG2 THR 33 3HG2 THR 33 6.645 0.078 9.037 278 H ASN 34 H ASN 34 8.151 0.573 6.789 279 HA ASN 34 HA ASN 34 6.053 2.548 6.041 280 1HB ASN 34 2HB ASN 34 8.536 1.904 4.447 281 2HB ASN 34 1HB ASN 34 7.081 2.549 3.689 282 1HD2 ASN 34 1HD2 ASN 34 7.455 4.747 3.342 283 2HD2 ASN 34 2HD2 ASN 34 8.096 5.813 4.496 284 H THR 35 H THR 35 4.536 1.733 4.535 285 HA THR 35 HA THR 35 4.800 -1.142 3.780 286 HB THR 35 HB THR 35 2.441 0.158 5.173 287 HG1 THR 35 1HG THR 35 2.868 -1.399 6.709 288 1HG2 THR 35 1HG2 THR 35 2.691 -2.450 3.674 289 2HG2 THR 35 2HG2 THR 35 1.464 -1.198 3.489 290 3HG2 THR 35 3HG2 THR 35 1.477 -2.213 4.931 291 H PHE 36 H PHE 36 3.497 -1.704 1.901 292 HA PHE 36 HA PHE 36 2.022 0.459 0.545 293 1HB PHE 36 2HB PHE 36 4.054 -0.749 -1.247 294 2HB PHE 36 1HB PHE 36 3.457 0.904 -1.182 295 HD1 PHE 36 1HD PHE 36 4.452 2.544 0.368 296 HD2 PHE 36 2HD PHE 36 5.949 -1.461 0.078 297 HE1 PHE 36 1HE PHE 36 6.533 3.233 1.528 298 HE2 PHE 36 2HE PHE 36 8.018 -0.784 1.240 299 HZ PHE 36 HZ PHE 36 8.318 1.564 1.956 300 H ILE 37 H ILE 37 1.258 -0.499 -1.720 301 HA ILE 37 HA ILE 37 0.699 -3.417 -1.341 302 HB ILE 37 HB ILE 37 -1.174 -1.379 -2.556 303 1HG1 ILE 37 2HG1 ILE 37 -1.649 -2.659 0.123 304 2HG1 ILE 37 1HG1 ILE 37 -0.574 -1.270 0.041 305 1HG2 ILE 37 1HG2 ILE 37 -1.623 -3.596 -3.359 306 2HG2 ILE 37 2HG2 ILE 37 -2.824 -3.255 -2.113 307 3HG2 ILE 37 3HG2 ILE 37 -1.439 -4.282 -1.744 308 1HD1 ILE 37 1HD1 ILE 37 -2.268 0.185 -0.392 309 2HD1 ILE 37 2HD1 ILE 37 -3.273 -1.075 0.320 310 3HD1 ILE 37 3HD1 ILE 37 -3.123 -0.955 -1.432 311 H TYR 38 H TYR 38 0.918 -4.719 -3.133 312 HA TYR 38 HA TYR 38 2.107 -3.410 -5.533 313 1HB TYR 38 2HB TYR 38 3.369 -5.289 -4.676 314 2HB TYR 38 1HB TYR 38 1.931 -6.308 -4.664 315 HD1 TYR 38 1HD TYR 38 4.022 -4.249 -6.994 316 HD2 TYR 38 2HD TYR 38 1.448 -7.655 -6.517 317 HE1 TYR 38 1HE TYR 38 4.464 -4.913 -9.343 318 HE2 TYR 38 2HE TYR 38 1.890 -8.318 -8.865 319 HH TYR 38 HH TYR 38 3.216 -6.292 -11.128 320 H ALA 39 H ALA 39 0.449 -2.674 -6.831 321 HA ALA 39 HA ALA 39 -1.217 -4.661 -8.161 322 1HB ALA 39 1HB ALA 39 -2.465 -2.635 -6.286 323 2HB ALA 39 2HB ALA 39 -2.625 -4.390 -6.225 324 3HB ALA 39 3HB ALA 39 -3.373 -3.481 -7.538 325 H LEU 40 H LEU 40 -2.265 -3.746 -10.049 326 HA LEU 40 HA LEU 40 -0.970 -1.232 -10.921 327 1HB LEU 40 2HB LEU 40 -1.135 -2.022 -13.065 328 2HB LEU 40 1HB LEU 40 -1.222 -3.562 -12.221 329 HG LEU 40 HG LEU 40 -3.843 -2.978 -12.211 330 1HD1 LEU 40 1HD1 LEU 40 -2.938 -1.788 -14.834 331 2HD1 LEU 40 2HD1 LEU 40 -3.227 -0.775 -13.425 332 3HD1 LEU 40 3HD1 LEU 40 -4.540 -1.732 -14.103 333 1HD2 LEU 40 1HD2 LEU 40 -2.990 -5.015 -13.162 334 2HD2 LEU 40 2HD2 LEU 40 -2.208 -4.141 -14.479 335 3HD2 LEU 40 3HD2 LEU 40 -3.967 -4.242 -14.411 336 HA PRO 41 HA PRO 41 -4.219 1.641 -10.271 337 1HB PRO 41 2HB PRO 41 -4.322 1.958 -13.241 338 2HB PRO 41 1HB PRO 41 -4.171 3.194 -11.979 339 1HG PRO 41 2HG PRO 41 -2.094 2.239 -13.507 340 2HG PRO 41 1HG PRO 41 -1.920 3.038 -11.939 341 1HD PRO 41 2HD PRO 41 -1.360 0.278 -12.598 342 2HD PRO 41 1HD PRO 41 -1.134 1.099 -11.040 343 H GLY 42 H GLY 42 -4.854 -0.151 -13.307 344 1HA GLY 42 2HA GLY 42 -7.667 -0.026 -13.210 345 2HA GLY 42 1HA GLY 42 -6.775 -1.321 -14.003 346 H ARG 43 H ARG 43 -5.602 -2.681 -11.995 347 HA ARG 43 HA ARG 43 -7.718 -4.202 -10.852 348 1HB ARG 43 2HB ARG 43 -4.761 -4.036 -10.248 349 2HB ARG 43 1HB ARG 43 -5.832 -5.149 -9.396 350 1HG ARG 43 2HG ARG 43 -6.550 -6.064 -11.622 351 2HG ARG 43 1HG ARG 43 -5.320 -5.053 -12.381 352 1HD ARG 43 2HD ARG 43 -3.551 -6.192 -11.216 353 2HD ARG 43 1HD ARG 43 -4.701 -7.049 -10.190 354 HE ARG 43 HE ARG 43 -5.045 -7.572 -13.051 355 1HH1 ARG 43 1HH2 ARG 43 -3.489 -8.397 -10.087 356 2HH1 ARG 43 2HH2 ARG 43 -3.169 -10.034 -10.557 357 1HH2 ARG 43 1HH1 ARG 43 -4.636 -9.704 -13.681 358 2HH2 ARG 43 2HH1 ARG 43 -3.819 -10.774 -12.592 359 H VAL 44 H VAL 44 -6.006 -1.376 -9.703 360 HA VAL 44 HA VAL 44 -6.862 -1.706 -6.930 361 HB VAL 44 HB VAL 44 -5.737 0.703 -8.389 362 1HG1 VAL 44 1HG1 VAL 44 -5.130 1.299 -5.935 363 2HG1 VAL 44 2HG1 VAL 44 -6.390 0.145 -5.496 364 3HG1 VAL 44 3HG1 VAL 44 -6.792 1.565 -6.461 365 1HG2 VAL 44 1HG2 VAL 44 -4.335 -1.149 -6.453 366 2HG2 VAL 44 2HG2 VAL 44 -3.614 0.028 -7.550 367 3HG2 VAL 44 3HG2 VAL 44 -4.336 -1.447 -8.190 368 H LYS 45 H LYS 45 -7.698 0.706 -9.456 369 HA LYS 45 HA LYS 45 -9.950 1.730 -7.989 370 1HB LYS 45 2HB LYS 45 -10.528 2.900 -10.020 371 2HB LYS 45 1HB LYS 45 -8.767 2.901 -9.901 372 1HG LYS 45 2HG LYS 45 -8.810 0.791 -11.346 373 2HG LYS 45 1HG LYS 45 -10.508 1.155 -11.652 374 1HD LYS 45 2HD LYS 45 -9.533 3.565 -12.231 375 2HD LYS 45 1HD LYS 45 -8.060 2.643 -12.533 376 1HE LYS 45 2HE LYS 45 -9.564 1.087 -13.955 377 2HE LYS 45 1HE LYS 45 -10.741 2.397 -13.896 378 1HZ LYS 45 1HZ LYS 45 -7.947 2.621 -14.877 379 2HZ LYS 45 2HZ LYS 45 -9.076 3.889 -14.811 380 3HZ LYS 45 3HZ LYS 45 -9.336 2.568 -15.849 381 H ALA 46 H ALA 46 -9.450 -1.086 -9.889 382 HA ALA 46 HA ALA 46 -12.232 -1.547 -10.599 383 1HB ALA 46 1HB ALA 46 -9.787 -3.335 -10.547 384 2HB ALA 46 2HB ALA 46 -10.524 -2.580 -11.959 385 3HB ALA 46 3HB ALA 46 -11.367 -3.875 -11.110 386 H LEU 47 H LEU 47 -10.045 -2.660 -8.024 387 HA LEU 47 HA LEU 47 -11.948 -4.471 -6.835 388 1HB LEU 47 2HB LEU 47 -9.477 -3.094 -5.757 389 2HB LEU 47 1HB LEU 47 -10.424 -4.237 -4.806 390 HG LEU 47 HG LEU 47 -9.432 -4.982 -7.557 391 1HD1 LEU 47 1HD1 LEU 47 -7.924 -5.352 -4.952 392 2HD1 LEU 47 2HD1 LEU 47 -7.480 -4.209 -6.219 393 3HD1 LEU 47 3HD1 LEU 47 -7.426 -5.944 -6.536 394 1HD2 LEU 47 1HD2 LEU 47 -10.284 -6.474 -5.060 395 2HD2 LEU 47 2HD2 LEU 47 -9.445 -7.265 -6.392 396 3HD2 LEU 47 3HD2 LEU 47 -11.022 -6.530 -6.660 397 H CYS 48 H CYS 48 -12.065 -1.165 -7.124 398 HA CYS 48 HA CYS 48 -13.515 -0.829 -4.525 399 1HB CYS 48 2HB CYS 48 -11.776 0.932 -6.144 400 2HB CYS 48 1HB CYS 48 -13.247 1.707 -5.564 401 H LYS 49 H LYS 49 -13.873 -1.063 -7.917 402 HA LYS 49 HA LYS 49 -16.186 0.565 -8.310 403 1HB LYS 49 2HB LYS 49 -16.352 -0.459 -10.405 404 2HB LYS 49 1HB LYS 49 -14.646 -0.689 -10.027 405 1HG LYS 49 2HG LYS 49 -15.372 -2.942 -8.988 406 2HG LYS 49 1HG LYS 49 -16.888 -2.705 -9.858 407 1HD LYS 49 2HD LYS 49 -14.110 -2.854 -11.062 408 2HD LYS 49 1HD LYS 49 -15.413 -4.026 -11.256 409 1HE LYS 49 2HE LYS 49 -15.274 -1.206 -12.334 410 2HE LYS 49 1HE LYS 49 -15.458 -2.708 -13.239 411 1HZ LYS 49 1HZ LYS 49 -17.618 -3.021 -12.158 412 2HZ LYS 49 2HZ LYS 49 -17.564 -1.586 -13.067 413 3HZ LYS 49 3HZ LYS 49 -17.442 -1.527 -11.373 414 H ASN 50 H ASN 50 -18.427 -0.118 -8.455 415 HA ASN 50 HA ASN 50 -20.327 -1.339 -7.807 416 1HB ASN 50 2HB ASN 50 -18.686 -3.317 -8.479 417 2HB ASN 50 1HB ASN 50 -18.652 -3.586 -6.737 418 1HD2 ASN 50 1HD2 ASN 50 -21.271 -2.655 -9.054 419 2HD2 ASN 50 2HD2 ASN 50 -22.351 -3.858 -8.534 420 H ILE 51 H ILE 51 -17.730 -0.524 -5.757 421 HA ILE 51 HA ILE 51 -18.997 -1.337 -3.258 422 HB ILE 51 HB ILE 51 -16.754 0.633 -3.782 423 1HG1 ILE 51 2HG1 ILE 51 -16.195 -1.635 -4.532 424 2HG1 ILE 51 1HG1 ILE 51 -15.299 -1.254 -3.062 425 1HG2 ILE 51 1HG2 ILE 51 -17.496 1.158 -1.626 426 2HG2 ILE 51 2HG2 ILE 51 -16.253 -0.051 -1.314 427 3HG2 ILE 51 3HG2 ILE 51 -17.956 -0.509 -1.274 428 1HD1 ILE 51 1HD1 ILE 51 -17.586 -3.149 -3.453 429 2HD1 ILE 51 2HD1 ILE 51 -17.415 -2.360 -1.886 430 3HD1 ILE 51 3HD1 ILE 51 -16.108 -3.358 -2.517 431 H ARG 52 H ARG 52 -19.364 0.488 -1.575 432 HA ARG 52 HA ARG 52 -21.170 2.487 -2.852 433 1HB ARG 52 2HB ARG 52 -21.674 0.789 -0.794 434 2HB ARG 52 1HB ARG 52 -21.113 2.193 0.111 435 1HG ARG 52 2HG ARG 52 -22.750 3.602 -1.163 436 2HG ARG 52 1HG ARG 52 -23.367 2.133 -1.918 437 1HD ARG 52 2HD ARG 52 -23.728 1.245 0.461 438 2HD ARG 52 1HD ARG 52 -23.459 2.902 1.003 439 HE ARG 52 HE ARG 52 -25.826 1.917 -0.417 440 1HH1 ARG 52 1HH2 ARG 52 -23.819 4.585 0.443 441 2HH1 ARG 52 2HH2 ARG 52 -25.070 5.765 0.235 442 1HH2 ARG 52 1HH1 ARG 52 -27.470 3.443 -0.696 443 2HH2 ARG 52 2HH1 ARG 52 -27.137 5.119 -0.410 444 H ASP 53 H ASP 53 -21.224 4.356 -0.741 445 HA ASP 53 HA ASP 53 -19.041 6.058 -1.386 446 1HB ASP 53 2HB ASP 53 -19.815 7.462 0.436 447 2HB ASP 53 1HB ASP 53 -21.220 6.800 -0.401 448 H ASN 54 H ASN 54 -18.345 6.899 1.284 449 HA ASN 54 HA ASN 54 -15.939 5.396 1.627 450 1HB ASN 54 2HB ASN 54 -17.248 7.113 3.746 451 2HB ASN 54 1HB ASN 54 -15.528 6.782 3.536 452 1HD2 ASN 54 1HD2 ASN 54 -18.254 8.121 1.568 453 2HD2 ASN 54 2HD2 ASN 54 -17.325 9.354 0.863 454 H THR 55 H THR 55 -15.866 3.349 2.340 455 HA THR 55 HA THR 55 -17.210 2.638 4.860 456 HB THR 55 HB THR 55 -17.664 0.710 2.614 457 HG1 THR 55 1HG THR 55 -19.703 1.880 2.293 458 1HG2 THR 55 1HG2 THR 55 -19.502 1.561 4.855 459 2HG2 THR 55 2HG2 THR 55 -18.237 0.355 5.086 460 3HG2 THR 55 3HG2 THR 55 -19.536 0.060 3.931 461 H ASP 56 H ASP 56 -16.443 0.434 5.589 462 HA ASP 56 HA ASP 56 -13.594 0.141 4.879 463 1HB ASP 56 2HB ASP 56 -15.119 -1.541 6.871 464 2HB ASP 56 1HB ASP 56 -13.393 -1.176 6.840 465 H VAL 57 H VAL 57 -13.108 -1.142 3.172 466 HA VAL 57 HA VAL 57 -14.874 -3.466 2.567 467 HB VAL 57 HB VAL 57 -13.966 -3.443 0.365 468 1HG1 VAL 57 1HG1 VAL 57 -15.518 -1.561 0.933 469 2HG1 VAL 57 2HG1 VAL 57 -14.403 -1.169 -0.377 470 3HG1 VAL 57 3HG1 VAL 57 -14.110 -0.546 1.247 471 1HG2 VAL 57 1HG2 VAL 57 -12.050 -1.788 -0.140 472 2HG2 VAL 57 2HG2 VAL 57 -11.624 -3.261 0.733 473 3HG2 VAL 57 3HG2 VAL 57 -11.800 -1.739 1.603 474 H LEU 58 H LEU 58 -13.686 -5.480 1.861 475 HA LEU 58 HA LEU 58 -11.098 -5.842 3.317 476 1HB LEU 58 2HB LEU 58 -13.545 -6.809 4.216 477 2HB LEU 58 1HB LEU 58 -12.893 -8.186 3.337 478 HG LEU 58 HG LEU 58 -12.255 -8.214 5.732 479 1HD1 LEU 58 1HD1 LEU 58 -9.935 -8.723 5.389 480 2HD1 LEU 58 2HD1 LEU 58 -9.851 -7.665 3.982 481 3HD1 LEU 58 3HD1 LEU 58 -10.788 -9.156 3.908 482 1HD2 LEU 58 1HD2 LEU 58 -11.964 -5.488 5.458 483 2HD2 LEU 58 2HD2 LEU 58 -10.288 -6.032 5.457 484 3HD2 LEU 58 3HD2 LEU 58 -11.343 -6.434 6.806 485 H SER 59 H SER 59 -9.579 -6.938 2.080 486 HA SER 59 HA SER 59 -10.037 -7.463 -0.658 487 1HB SER 59 2HB SER 59 -7.901 -8.013 1.269 488 2HB SER 59 1HB SER 59 -8.003 -9.223 -0.002 489 HG SER 59 HG SER 59 -8.342 -6.771 -1.032 490 H ARG 60 H ARG 60 -10.208 -9.561 -1.777 491 HA ARG 60 HA ARG 60 -12.251 -11.208 -0.555 492 1HB ARG 60 2HB ARG 60 -10.638 -11.742 -3.066 493 2HB ARG 60 1HB ARG 60 -12.179 -12.483 -2.629 494 1HG ARG 60 2HG ARG 60 -13.123 -10.098 -2.544 495 2HG ARG 60 1HG ARG 60 -11.641 -9.601 -3.362 496 1HD ARG 60 2HD ARG 60 -13.594 -11.688 -4.379 497 2HD ARG 60 1HD ARG 60 -13.446 -10.040 -4.990 498 HE ARG 60 HE ARG 60 -11.620 -12.254 -5.559 499 1HH1 ARG 60 1HH2 ARG 60 -12.098 -8.846 -5.325 500 2HH1 ARG 60 2HH2 ARG 60 -10.818 -8.457 -6.425 501 1HH2 ARG 60 1HH1 ARG 60 -9.946 -11.765 -6.996 502 2HH2 ARG 60 2HH1 ARG 60 -9.599 -10.110 -7.371 503 H ASP 61 H ASP 61 -8.935 -11.983 -1.664 504 HA ASP 61 HA ASP 61 -8.922 -14.202 0.359 505 1HB ASP 61 2HB ASP 61 -8.852 -14.849 -2.112 506 2HB ASP 61 1HB ASP 61 -7.257 -14.096 -2.165 507 H ALA 62 H ALA 62 -6.340 -12.642 -1.549 508 HA ALA 62 HA ALA 62 -5.218 -11.452 0.888 509 1HB ALA 62 1HB ALA 62 -3.992 -13.833 -0.490 510 2HB ALA 62 2HB ALA 62 -4.252 -13.572 1.234 511 3HB ALA 62 3HB ALA 62 -2.987 -12.682 0.388 512 H PHE 63 H PHE 63 -2.997 -10.425 0.289 513 HA PHE 63 HA PHE 63 -2.757 -9.711 -2.565 514 1HB PHE 63 2HB PHE 63 -3.695 -7.836 -0.414 515 2HB PHE 63 1HB PHE 63 -2.637 -7.204 -1.676 516 HD1 PHE 63 1HD PHE 63 -3.417 -6.873 -3.912 517 HD2 PHE 63 2HD PHE 63 -5.875 -8.911 -1.039 518 HE1 PHE 63 1HE PHE 63 -5.343 -6.747 -5.470 519 HE2 PHE 63 2HE PHE 63 -7.801 -8.786 -2.597 520 HZ PHE 63 HZ PHE 63 -7.534 -7.703 -4.813 521 H LEU 64 H LEU 64 -0.629 -9.398 -3.062 522 HA LEU 64 HA LEU 64 1.352 -9.736 -0.934 523 1HB LEU 64 2HB LEU 64 1.433 -10.691 -3.345 524 2HB LEU 64 1HB LEU 64 1.949 -9.078 -3.823 525 HG LEU 64 HG LEU 64 3.356 -10.468 -1.547 526 1HD1 LEU 64 1HD1 LEU 64 3.739 -10.969 -4.504 527 2HD1 LEU 64 2HD1 LEU 64 3.459 -12.159 -3.233 528 3HD1 LEU 64 3HD1 LEU 64 4.995 -11.296 -3.312 529 1HD2 LEU 64 1HD2 LEU 64 5.281 -9.156 -2.611 530 2HD2 LEU 64 2HD2 LEU 64 4.006 -8.186 -1.880 531 3HD2 LEU 64 3HD2 LEU 64 4.069 -8.384 -3.631 532 H LEU 65 H LEU 65 1.973 -7.975 0.256 533 HA LEU 65 HA LEU 65 2.217 -5.375 -1.204 534 1HB LEU 65 2HB LEU 65 2.064 -4.858 1.586 535 2HB LEU 65 1HB LEU 65 0.903 -4.424 0.348 536 HG LEU 65 HG LEU 65 0.892 -7.188 1.518 537 1HD1 LEU 65 1HD1 LEU 65 -0.833 -6.269 3.115 538 2HD1 LEU 65 2HD1 LEU 65 -0.348 -4.648 2.616 539 3HD1 LEU 65 3HD1 LEU 65 0.807 -5.703 3.431 540 1HD2 LEU 65 1HD2 LEU 65 -1.235 -5.363 0.334 541 2HD2 LEU 65 2HD2 LEU 65 -1.482 -7.033 0.842 542 3HD2 LEU 65 3HD2 LEU 65 -0.437 -6.675 -0.529 543 HA PRO 66 HA PRO 66 6.479 -5.826 0.156 544 1HB PRO 66 2HB PRO 66 7.401 -3.469 -0.897 545 2HB PRO 66 1HB PRO 66 7.148 -4.931 -1.862 546 1HG PRO 66 2HG PRO 66 5.493 -2.492 -1.673 547 2HG PRO 66 1HG PRO 66 5.749 -3.578 -3.041 548 1HD PRO 66 2HD PRO 66 3.484 -3.552 -1.431 549 2HD PRO 66 1HD PRO 66 3.991 -4.911 -2.459 550 H GLN 67 H GLN 67 7.623 -4.967 1.989 551 HA GLN 67 HA GLN 67 6.623 -2.410 3.109 552 1HB GLN 67 2HB GLN 67 6.841 -4.787 4.944 553 2HB GLN 67 1HB GLN 67 5.933 -3.292 5.167 554 1HG GLN 67 2HG GLN 67 4.410 -3.976 3.320 555 2HG GLN 67 1HG GLN 67 5.286 -5.500 3.191 556 1HE2 GLN 67 1HE2 GLN 67 5.475 -4.873 6.403 557 2HE2 GLN 67 2HE2 GLN 67 4.061 -5.639 6.946 558 H CYS 68 H CYS 68 8.118 -1.357 4.423 559 HA CYS 68 HA CYS 68 10.862 -2.558 4.435 560 1HB CYS 68 2HB CYS 68 10.177 0.342 4.918 561 2HB CYS 68 1HB CYS 68 11.727 -0.349 4.438 562 H ASP 69 H ASP 69 12.074 -2.542 6.383 563 HA ASP 69 HA ASP 69 10.674 -1.606 8.843 564 1HB ASP 69 2HB ASP 69 10.150 -4.031 8.526 565 2HB ASP 69 1HB ASP 69 11.880 -4.375 8.555 566 H ARG 70 H ARG 70 12.114 -0.269 9.818 567 HA ARG 70 HA ARG 70 14.918 -0.223 9.218 568 1HB ARG 70 2HB ARG 70 13.501 1.674 10.178 569 2HB ARG 70 1HB ARG 70 13.647 0.865 11.737 570 1HG ARG 70 2HG ARG 70 16.175 0.896 11.354 571 2HG ARG 70 1HG ARG 70 15.860 2.010 10.023 572 1HD ARG 70 2HD ARG 70 14.825 3.607 11.519 573 2HD ARG 70 1HD ARG 70 14.902 2.467 12.862 574 HE ARG 70 HE ARG 70 17.121 4.086 11.852 575 1HH1 ARG 70 1HH2 ARG 70 16.087 1.268 13.550 576 2HH1 ARG 70 2HH2 ARG 70 17.556 1.112 14.453 577 1HH2 ARG 70 1HH1 ARG 70 19.045 3.898 13.024 578 2HH2 ARG 70 2HH1 ARG 70 19.231 2.600 14.156 579 H ILE 71 H ILE 71 16.604 -1.325 10.150 580 HA ILE 71 HA ILE 71 16.112 -2.793 12.697 581 HB ILE 71 HB ILE 71 17.109 -3.959 10.089 582 1HG1 ILE 71 2HG1 ILE 71 14.603 -3.916 10.905 583 2HG1 ILE 71 1HG1 ILE 71 15.272 -5.399 10.234 584 1HG2 ILE 71 1HG2 ILE 71 17.505 -6.045 11.558 585 2HG2 ILE 71 2HG2 ILE 71 17.520 -4.925 12.920 586 3HG2 ILE 71 3HG2 ILE 71 18.713 -4.763 11.632 587 1HD1 ILE 71 1HD1 ILE 71 15.457 -4.896 13.195 588 2HD1 ILE 71 2HD1 ILE 71 15.440 -6.429 12.327 589 3HD1 ILE 71 3HD1 ILE 71 13.954 -5.497 12.499 590 H LYS 72 H LYS 72 18.424 -1.527 10.329 591 HA LYS 72 HA LYS 72 20.352 -1.133 12.567 592 1HB LYS 72 2HB LYS 72 20.914 -3.236 11.265 593 2HB LYS 72 1HB LYS 72 21.176 -2.209 9.856 594 1HG LYS 72 2HG LYS 72 23.025 -1.119 10.842 595 2HG LYS 72 1HG LYS 72 22.584 -1.649 12.466 596 1HD LYS 72 2HD LYS 72 23.201 -3.920 11.981 597 2HD LYS 72 1HD LYS 72 23.387 -3.564 10.263 598 1HE LYS 72 2HE LYS 72 25.218 -1.945 10.873 599 2HE LYS 72 1HE LYS 72 25.104 -2.528 12.534 600 1HZ LYS 72 1HZ LYS 72 25.704 -4.702 11.851 601 2HZ LYS 72 2HZ LYS 72 26.831 -3.640 11.152 602 3HZ LYS 72 3HZ LYS 72 25.584 -4.303 10.207 603 H LEU 73 H LEU 73 22.226 0.322 11.714 604 HA LEU 73 HA LEU 73 22.797 2.455 10.949 605 1HB LEU 73 2HB LEU 73 21.766 0.882 8.725 606 2HB LEU 73 1HB LEU 73 21.463 2.593 8.460 607 HG LEU 73 HG LEU 73 23.937 2.941 9.120 608 1HD1 LEU 73 1HD1 LEU 73 23.936 -0.033 8.527 609 2HD1 LEU 73 2HD1 LEU 73 24.292 0.709 10.087 610 3HD1 LEU 73 3HD1 LEU 73 25.376 0.966 8.720 611 1HD2 LEU 73 1HD2 LEU 73 23.092 3.155 6.810 612 2HD2 LEU 73 2HD2 LEU 73 23.251 1.413 6.590 613 3HD2 LEU 73 3HD2 LEU 73 24.689 2.408 6.826 614 HA PRO 74 HA PRO 74 19.307 5.140 11.579 615 1HB PRO 74 2HB PRO 74 20.068 7.460 10.463 616 2HB PRO 74 1HB PRO 74 20.979 6.742 11.807 617 1HG PRO 74 2HG PRO 74 21.620 6.801 8.907 618 2HG PRO 74 1HG PRO 74 22.702 6.888 10.306 619 1HD PRO 74 2HD PRO 74 22.160 4.576 8.775 620 2HD PRO 74 1HD PRO 74 22.964 4.616 10.357 621 H CYS 75 H CYS 75 20.131 4.622 8.211 622 HA CYS 75 HA CYS 75 17.310 5.302 7.487 623 1HB CYS 75 2HB CYS 75 19.168 7.044 6.849 624 2HB CYS 75 1HB CYS 75 19.555 5.886 5.578 625 H HIS 76 H HIS 76 18.862 2.740 7.962 626 HA HIS 76 HA HIS 76 18.677 1.534 5.234 627 1HB HIS 76 2HB HIS 76 20.758 1.205 6.667 628 2HB HIS 76 1HB HIS 76 19.753 0.243 7.753 629 HD1 HIS 76 1HD HIS 76 19.540 0.251 3.963 630 HD2 HIS 76 2HD HIS 76 20.665 -2.311 7.058 631 HE1 HIS 76 1HE HIS 76 19.956 -2.014 2.904 632 HE2 HIS 76 2HE HIS 76 20.640 -3.580 4.779 633 H TYR 77 H TYR 77 17.216 -0.174 4.853 634 HA TYR 77 HA TYR 77 15.448 -0.960 7.130 635 1HB TYR 77 2HB TYR 77 14.255 -0.517 4.418 636 2HB TYR 77 1HB TYR 77 13.482 -0.448 5.999 637 HD1 TYR 77 1HD TYR 77 13.867 1.512 7.496 638 HD2 TYR 77 2HD TYR 77 15.320 1.403 3.456 639 HE1 TYR 77 1HE TYR 77 14.180 3.970 7.542 640 HE2 TYR 77 2HE TYR 77 15.635 3.865 3.502 641 HH TYR 77 HH TYR 77 15.588 5.695 4.765 642 H LYS 78 H LYS 78 14.197 -2.942 6.648 643 HA LYS 78 HA LYS 78 15.747 -4.771 4.861 644 1HB LYS 78 2HB LYS 78 14.203 -5.165 7.415 645 2HB LYS 78 1HB LYS 78 14.398 -6.522 6.304 646 1HG LYS 78 2HG LYS 78 16.819 -4.907 7.049 647 2HG LYS 78 1HG LYS 78 16.191 -6.080 8.205 648 1HD LYS 78 2HD LYS 78 16.328 -7.851 6.493 649 2HD LYS 78 1HD LYS 78 16.960 -6.683 5.333 650 1HE LYS 78 2HE LYS 78 18.966 -6.374 6.583 651 2HE LYS 78 1HE LYS 78 18.298 -7.191 7.996 652 1HZ LYS 78 1HZ LYS 78 19.865 -8.531 6.584 653 2HZ LYS 78 2HZ LYS 78 18.659 -8.547 5.388 654 3HZ LYS 78 3HZ LYS 78 18.366 -9.256 6.904 655 H LEU 79 H LEU 79 14.540 -6.169 3.456 656 HA LEU 79 HA LEU 79 11.950 -5.009 2.631 657 1HB LEU 79 2HB LEU 79 13.993 -5.809 1.120 658 2HB LEU 79 1HB LEU 79 13.185 -7.370 1.251 659 HG LEU 79 HG LEU 79 11.849 -4.805 0.331 660 1HD1 LEU 79 1HD1 LEU 79 13.633 -5.835 -1.197 661 2HD1 LEU 79 2HD1 LEU 79 12.027 -5.627 -1.896 662 3HD1 LEU 79 3HD1 LEU 79 12.550 -7.219 -1.348 663 1HD2 LEU 79 1HD2 LEU 79 10.155 -6.606 -0.492 664 2HD2 LEU 79 2HD2 LEU 79 10.151 -6.181 1.218 665 3HD2 LEU 79 3HD2 LEU 79 10.942 -7.663 0.680 666 H SER 80 H SER 80 10.070 -5.874 3.314 667 HA SER 80 HA SER 80 9.929 -8.798 3.869 668 1HB SER 80 2HB SER 80 10.128 -8.103 6.086 669 2HB SER 80 1HB SER 80 9.371 -6.545 5.772 670 HG SER 80 HG SER 80 8.165 -9.100 5.976 671 H SER 81 H SER 81 8.231 -9.595 2.733 672 HA SER 81 HA SER 81 5.801 -7.898 2.403 673 1HB SER 81 2HB SER 81 7.474 -7.913 0.373 674 2HB SER 81 1HB SER 81 6.816 -9.520 0.082 675 HG SER 81 HG SER 81 4.807 -8.644 -0.160 676 H SER 82 H SER 82 3.879 -9.178 1.870 677 HA SER 82 HA SER 82 4.029 -12.087 1.894 678 1HB SER 82 2HB SER 82 2.910 -12.456 4.016 679 2HB SER 82 1HB SER 82 4.356 -11.497 4.320 680 HG SER 82 HG SER 82 2.589 -10.580 5.378 681 H THR 83 H THR 83 1.801 -13.036 1.813 682 HA THR 83 HA THR 83 -0.033 -11.131 0.463 683 HB THR 83 HB THR 83 -0.916 -13.648 -0.141 684 HG1 THR 83 1HG THR 83 0.937 -14.875 -0.518 685 1HG2 THR 83 1HG2 THR 83 0.263 -13.329 -2.280 686 2HG2 THR 83 2HG2 THR 83 1.280 -12.100 -1.528 687 3HG2 THR 83 3HG2 THR 83 -0.450 -11.814 -1.724 688 H ASN 84 H ASN 84 -1.767 -10.542 1.659 689 HA ASN 84 HA ASN 84 -3.305 -12.559 3.125 690 1HB ASN 84 2HB ASN 84 -1.632 -12.070 4.823 691 2HB ASN 84 1HB ASN 84 -1.876 -10.336 4.614 692 1HD2 ASN 84 1HD2 ASN 84 -2.522 -10.222 6.934 693 2HD2 ASN 84 2HD2 ASN 84 -4.074 -10.725 7.404 694 H THR 85 H THR 85 -5.400 -11.682 3.824 695 HA THR 85 HA THR 85 -6.441 -9.700 2.039 696 HB THR 85 HB THR 85 -8.028 -10.007 4.469 697 HG1 THR 85 1HG THR 85 -6.691 -12.215 3.426 698 1HG2 THR 85 1HG2 THR 85 -9.576 -11.115 2.793 699 2HG2 THR 85 2HG2 THR 85 -8.325 -10.857 1.579 700 3HG2 THR 85 3HG2 THR 85 -9.076 -9.478 2.382 701 H ILE 86 H ILE 86 -7.429 -7.595 2.805 702 HA ILE 86 HA ILE 86 -6.190 -6.458 5.231 703 HB ILE 86 HB ILE 86 -4.737 -5.023 4.201 704 1HG1 ILE 86 2HG1 ILE 86 -6.504 -3.677 3.151 705 2HG1 ILE 86 1HG1 ILE 86 -5.172 -3.916 2.029 706 1HG2 ILE 86 1HG2 ILE 86 -4.075 -7.172 3.255 707 2HG2 ILE 86 2HG2 ILE 86 -3.833 -5.902 2.059 708 3HG2 ILE 86 3HG2 ILE 86 -5.225 -6.974 1.931 709 1HD1 ILE 86 1HD1 ILE 86 -6.584 -4.808 0.537 710 2HD1 ILE 86 2HD1 ILE 86 -7.921 -4.603 1.665 711 3HD1 ILE 86 3HD1 ILE 86 -6.980 -6.090 1.676 712 H CYS 87 H CYS 87 -7.087 -4.238 5.671 713 HA CYS 87 HA CYS 87 -9.834 -3.967 4.507 714 1HB CYS 87 2HB CYS 87 -9.473 -4.570 7.039 715 2HB CYS 87 1HB CYS 87 -9.065 -2.866 7.199 716 H ILE 88 H ILE 88 -10.326 -1.980 3.615 717 HA ILE 88 HA ILE 88 -8.599 0.342 4.266 718 HB ILE 88 HB ILE 88 -7.313 -0.031 2.431 719 1HG1 ILE 88 2HG1 ILE 88 -9.808 0.509 0.796 720 2HG1 ILE 88 1HG1 ILE 88 -8.921 1.776 1.639 721 1HG2 ILE 88 1HG2 ILE 88 -7.944 -1.643 0.641 722 2HG2 ILE 88 2HG2 ILE 88 -9.516 -1.845 1.412 723 3HG2 ILE 88 3HG2 ILE 88 -8.053 -2.346 2.252 724 1HD1 ILE 88 1HD1 ILE 88 -6.983 0.276 0.209 725 2HD1 ILE 88 2HD1 ILE 88 -7.530 1.919 -0.120 726 3HD1 ILE 88 3HD1 ILE 88 -8.325 0.552 -0.899 727 H THR 89 H THR 89 -9.581 2.379 3.647 728 HA THR 89 HA THR 89 -12.526 2.157 3.435 729 HB THR 89 HB THR 89 -10.658 4.438 4.078 730 HG1 THR 89 1HG THR 89 -12.743 3.142 5.488 731 1HG2 THR 89 1HG2 THR 89 -12.342 5.513 2.819 732 2HG2 THR 89 2HG2 THR 89 -12.869 5.687 4.492 733 3HG2 THR 89 3HG2 THR 89 -13.605 4.461 3.459 734 H CYS 90 H CYS 90 -13.561 2.503 1.565 735 HA CYS 90 HA CYS 90 -12.173 3.998 -0.622 736 1HB CYS 90 2HB CYS 90 -12.119 1.489 -0.943 737 2HB CYS 90 1HB CYS 90 -13.881 1.521 -0.996 738 H VAL 91 H VAL 91 -13.541 5.330 -1.846 739 HA VAL 91 HA VAL 91 -16.131 5.948 -0.627 740 HB VAL 91 HB VAL 91 -16.189 7.809 -2.212 741 1HG1 VAL 91 1HG1 VAL 91 -14.680 7.820 -0.135 742 2HG1 VAL 91 2HG1 VAL 91 -14.305 9.007 -1.384 743 3HG1 VAL 91 3HG1 VAL 91 -13.339 7.538 -1.243 744 1HG2 VAL 91 1HG2 VAL 91 -14.149 8.040 -3.752 745 2HG2 VAL 91 2HG2 VAL 91 -15.346 6.831 -4.219 746 3HG2 VAL 91 3HG2 VAL 91 -13.847 6.331 -3.432 747 H ASN 92 H ASN 92 -17.353 6.796 -3.157 748 HA ASN 92 HA ASN 92 -19.020 4.675 -3.757 749 1HB ASN 92 2HB ASN 92 -18.033 6.958 -5.442 750 2HB ASN 92 1HB ASN 92 -19.161 5.775 -6.106 751 1HD2 ASN 92 1HD2 ASN 92 -21.040 7.127 -6.167 752 2HD2 ASN 92 2HD2 ASN 92 -21.757 7.773 -4.771 753 H GLN 93 H GLN 93 -15.855 5.291 -5.027 754 HA GLN 93 HA GLN 93 -15.349 2.560 -5.673 755 1HB GLN 93 2HB GLN 93 -15.255 2.893 -8.209 756 2HB GLN 93 1HB GLN 93 -16.867 2.756 -7.508 757 1HG GLN 93 2HG GLN 93 -17.145 5.167 -7.533 758 2HG GLN 93 1HG GLN 93 -15.479 5.393 -8.066 759 1HE2 GLN 93 1HE2 GLN 93 -15.009 5.102 -10.311 760 2HE2 GLN 93 2HE2 GLN 93 -16.203 4.753 -11.467 761 H LEU 94 H LEU 94 -13.902 4.458 -4.322 762 HA LEU 94 HA LEU 94 -11.461 4.614 -5.977 763 1HB LEU 94 2HB LEU 94 -13.148 6.870 -5.617 764 2HB LEU 94 1HB LEU 94 -11.748 7.134 -4.582 765 HG LEU 94 HG LEU 94 -10.299 6.534 -6.590 766 1HD1 LEU 94 1HD1 LEU 94 -11.667 5.453 -8.135 767 2HD1 LEU 94 2HD1 LEU 94 -11.645 7.088 -8.790 768 3HD1 LEU 94 3HD1 LEU 94 -13.028 6.536 -7.848 769 1HD2 LEU 94 1HD2 LEU 94 -10.592 8.782 -7.620 770 2HD2 LEU 94 2HD2 LEU 94 -10.608 8.851 -5.859 771 3HD2 LEU 94 3HD2 LEU 94 -12.121 8.954 -6.758 772 HA PRO 95 HA PRO 95 -10.294 3.460 -1.737 773 1HB PRO 95 2HB PRO 95 -7.827 2.482 -2.321 774 2HB PRO 95 1HB PRO 95 -9.315 1.580 -2.671 775 1HG PRO 95 2HG PRO 95 -7.583 3.154 -4.508 776 2HG PRO 95 1HG PRO 95 -8.423 1.618 -4.784 777 1HD PRO 95 2HD PRO 95 -9.348 4.069 -5.671 778 2HD PRO 95 1HD PRO 95 -10.390 2.656 -5.383 779 H ILE 96 H ILE 96 -9.246 4.725 -0.147 780 HA ILE 96 HA ILE 96 -7.034 6.487 -1.056 781 HB ILE 96 HB ILE 96 -8.101 8.428 0.099 782 1HG1 ILE 96 2HG1 ILE 96 -10.778 7.922 0.146 783 2HG1 ILE 96 1HG1 ILE 96 -10.173 6.330 0.596 784 1HG2 ILE 96 1HG2 ILE 96 -9.341 9.040 -1.786 785 2HG2 ILE 96 2HG2 ILE 96 -10.022 7.427 -1.990 786 3HG2 ILE 96 3HG2 ILE 96 -8.347 7.736 -2.430 787 1HD1 ILE 96 1HD1 ILE 96 -8.683 7.633 2.289 788 2HD1 ILE 96 2HD1 ILE 96 -10.390 7.416 2.660 789 3HD1 ILE 96 3HD1 ILE 96 -9.816 8.953 2.019 790 H HIS 97 H HIS 97 -8.662 4.822 1.641 791 HA HIS 97 HA HIS 97 -6.342 5.716 3.341 792 1HB HIS 97 2HB HIS 97 -9.058 5.972 3.875 793 2HB HIS 97 1HB HIS 97 -8.588 4.557 4.815 794 HD1 HIS 97 1HD HIS 97 -5.938 5.142 5.929 795 HD2 HIS 97 2HD HIS 97 -8.769 8.177 5.497 796 HE1 HIS 97 1HE HIS 97 -5.262 6.988 7.529 797 HE2 HIS 97 2HE HIS 97 -6.977 8.839 7.274 798 H PHE 98 H PHE 98 -5.082 4.201 4.310 799 HA PHE 98 HA PHE 98 -5.644 1.343 3.651 800 1HB PHE 98 2HB PHE 98 -3.479 2.011 2.865 801 2HB PHE 98 1HB PHE 98 -3.110 2.838 4.377 802 HD1 PHE 98 1HD PHE 98 -2.162 1.671 6.219 803 HD2 PHE 98 2HD PHE 98 -3.734 -0.512 2.869 804 HE1 PHE 98 1HE PHE 98 -1.176 -0.419 7.117 805 HE2 PHE 98 2HE PHE 98 -2.749 -2.602 3.769 806 HZ PHE 98 HZ PHE 98 -1.468 -2.555 5.893 807 H ALA 99 H ALA 99 -6.835 0.497 5.325 808 HA ALA 99 HA ALA 99 -6.729 1.414 8.031 809 1HB ALA 99 1HB ALA 99 -7.468 -1.421 7.420 810 2HB ALA 99 2HB ALA 99 -8.460 -0.134 6.737 811 3HB ALA 99 3HB ALA 99 -8.264 -0.264 8.484 812 H GLY 100 H GLY 100 -5.714 -1.853 6.979 813 1HA GLY 100 2HA GLY 100 -3.060 -1.595 8.105 814 2HA GLY 100 1HA GLY 100 -4.136 -2.474 9.193 815 H VAL 101 H VAL 101 -3.720 -4.622 8.957 816 HA VAL 101 HA VAL 101 -3.707 -5.735 6.184 817 HB VAL 101 HB VAL 101 -1.376 -5.649 6.887 818 1HG1 VAL 101 1HG1 VAL 101 -1.888 -5.508 9.340 819 2HG1 VAL 101 2HG1 VAL 101 -0.617 -6.671 8.957 820 3HG1 VAL 101 3HG1 VAL 101 -2.249 -7.234 9.320 821 1HG2 VAL 101 1HG2 VAL 101 -2.317 -8.484 7.360 822 2HG2 VAL 101 2HG2 VAL 101 -0.825 -7.949 6.588 823 3HG2 VAL 101 3HG2 VAL 101 -2.368 -7.737 5.764 824 H GLY 102 H GLY 102 -4.897 -7.605 5.985 825 1HA GLY 102 2HA GLY 102 -5.991 -9.596 6.719 826 2HA GLY 102 1HA GLY 102 -5.628 -9.156 8.387 827 H SER 103 H SER 103 -7.899 -9.634 8.867 828 HA SER 103 HA SER 103 -10.063 -8.214 7.626 829 1HB SER 103 2HB SER 103 -10.443 -10.262 8.916 830 2HB SER 103 1HB SER 103 -9.870 -9.469 10.379 831 HG SER 103 HG SER 103 -11.603 -7.946 10.058 832 H CYS 104 H CYS 104 -11.258 -6.418 8.451 833 HA CYS 104 HA CYS 104 -9.789 -4.194 9.319 834 1HB CYS 104 2HB CYS 104 -12.552 -4.835 8.869 835 2HB CYS 104 1HB CYS 104 -12.437 -3.942 10.383 836 HA PRO 105 HA PRO 105 -8.924 -4.295 13.638 837 1HB PRO 105 2HB PRO 105 -11.123 -2.313 14.122 838 2HB PRO 105 1HB PRO 105 -9.437 -2.284 14.680 839 1HG PRO 105 2HG PRO 105 -10.250 -0.766 12.649 840 2HG PRO 105 1HG PRO 105 -8.641 -1.511 12.666 841 1HD PRO 105 2HD PRO 105 -11.022 -2.228 11.029 842 2HD PRO 105 1HD PRO 105 -9.296 -2.464 10.676 Start of MODEL 4 1 HN PCA 1 H PCA 1 -6.420 8.909 1.157 2 HA PCA 1 HA PCA 1 -7.450 11.189 2.091 3 1HB PCA 1 1HB PCA 1 -5.831 12.698 2.614 4 2HB PCA 1 2HB PCA 1 -5.031 12.466 1.077 5 1HG PCA 1 1HG PCA 1 -4.682 11.187 3.611 6 2HG PCA 1 2HG PCA 1 -3.587 11.314 2.216 7 H ASP 2 H ASP 2 -5.805 9.889 -0.641 8 HA ASP 2 HA ASP 2 -7.863 10.885 -2.417 9 1HB ASP 2 2HB ASP 2 -5.163 12.219 -2.352 10 2HB ASP 2 1HB ASP 2 -6.020 12.064 -3.885 11 H TRP 3 H TRP 3 -8.031 9.370 -4.016 12 HA TRP 3 HA TRP 3 -6.557 7.021 -4.089 13 1HB TRP 3 2HB TRP 3 -8.559 7.051 -5.339 14 2HB TRP 3 1HB TRP 3 -8.070 8.479 -6.245 15 HD1 TRP 3 HD TRP 3 -7.971 7.648 -8.639 16 HE1 TRP 3 1HE TRP 3 -6.706 5.786 -9.888 17 HE3 TRP 3 3HE TRP 3 -5.927 5.116 -4.674 18 HZ2 TRP 3 2HZ TRP 3 -5.062 3.533 -9.300 19 HZ3 TRP 3 3HZ TRP 3 -4.525 3.123 -5.061 20 HH2 TRP 3 HH TRP 3 -4.088 2.324 -7.366 21 H GLU 4 H GLU 4 -5.715 10.119 -5.517 22 HA GLU 4 HA GLU 4 -3.642 9.194 -7.258 23 1HB GLU 4 2HB GLU 4 -4.076 11.821 -5.817 24 2HB GLU 4 1HB GLU 4 -2.718 11.556 -6.913 25 1HG GLU 4 2HG GLU 4 -4.208 11.099 -8.760 26 2HG GLU 4 1HG GLU 4 -5.612 11.112 -7.693 27 H THR 5 H THR 5 -2.879 11.082 -4.333 28 HA THR 5 HA THR 5 -0.296 10.058 -3.982 29 HB THR 5 HB THR 5 -1.167 11.941 -2.667 30 HG1 THR 5 1HG THR 5 0.429 10.153 -1.865 31 1HG2 THR 5 1HG2 THR 5 -3.431 10.693 -2.323 32 2HG2 THR 5 2HG2 THR 5 -2.834 11.730 -1.027 33 3HG2 THR 5 3HG2 THR 5 -2.635 9.981 -0.920 34 H PHE 6 H PHE 6 -3.325 8.829 -2.543 35 HA PHE 6 HA PHE 6 -2.295 6.662 -1.097 36 1HB PHE 6 2HB PHE 6 -4.741 7.434 -1.331 37 2HB PHE 6 1HB PHE 6 -4.788 6.459 -2.797 38 HD1 PHE 6 1HD PHE 6 -4.068 6.302 0.863 39 HD2 PHE 6 2HD PHE 6 -5.074 4.114 -2.694 40 HE1 PHE 6 1HE PHE 6 -4.458 4.266 2.222 41 HE2 PHE 6 2HE PHE 6 -5.463 2.079 -1.335 42 HZ PHE 6 HZ PHE 6 -5.157 2.155 1.123 43 H GLN 7 H GLN 7 -2.496 7.152 -4.531 44 HA GLN 7 HA GLN 7 -1.901 4.318 -5.122 45 1HB GLN 7 2HB GLN 7 -3.428 5.590 -6.613 46 2HB GLN 7 1HB GLN 7 -2.117 6.704 -6.987 47 1HG GLN 7 2HG GLN 7 -1.728 3.749 -7.392 48 2HG GLN 7 1HG GLN 7 -2.594 4.696 -8.601 49 1HE2 GLN 7 1HE2 GLN 7 -1.222 7.068 -8.737 50 2HE2 GLN 7 2HE2 GLN 7 0.404 6.810 -9.148 51 H LYS 8 H LYS 8 -0.264 7.301 -4.565 52 HA LYS 8 HA LYS 8 2.165 6.468 -6.018 53 1HB LYS 8 2HB LYS 8 1.751 8.868 -4.221 54 2HB LYS 8 1HB LYS 8 3.040 8.637 -5.401 55 1HG LYS 8 2HG LYS 8 0.186 8.487 -6.333 56 2HG LYS 8 1HG LYS 8 0.897 10.068 -6.024 57 1HD LYS 8 2HD LYS 8 2.733 9.579 -7.570 58 2HD LYS 8 1HD LYS 8 2.095 7.957 -7.843 59 1HE LYS 8 2HE LYS 8 0.113 8.822 -8.891 60 2HE LYS 8 1HE LYS 8 0.502 10.471 -8.398 61 1HZ LYS 8 1HZ LYS 8 1.189 10.370 -10.595 62 2HZ LYS 8 2HZ LYS 8 1.813 8.797 -10.445 63 3HZ LYS 8 3HZ LYS 8 2.630 10.110 -9.739 64 H LYS 9 H LYS 9 1.352 7.220 -2.592 65 HA LYS 9 HA LYS 9 3.940 6.082 -1.771 66 1HB LYS 9 2HB LYS 9 2.947 6.650 0.574 67 2HB LYS 9 1HB LYS 9 3.425 7.967 -0.496 68 1HG LYS 9 2HG LYS 9 1.122 8.278 -1.220 69 2HG LYS 9 1HG LYS 9 0.603 6.876 -0.285 70 1HD LYS 9 2HD LYS 9 1.560 8.095 1.766 71 2HD LYS 9 1HD LYS 9 1.617 9.530 0.742 72 1HE LYS 9 2HE LYS 9 -0.489 9.671 1.809 73 2HE LYS 9 1HE LYS 9 -0.860 9.018 0.214 74 1HZ LYS 9 1HZ LYS 9 -1.796 7.891 2.345 75 2HZ LYS 9 2HZ LYS 9 -0.261 7.167 2.412 76 3HZ LYS 9 3HZ LYS 9 -1.251 6.941 1.050 77 H HIS 10 H HIS 10 0.502 5.342 -0.968 78 HA HIS 10 HA HIS 10 1.202 2.951 0.478 79 1HB HIS 10 2HB HIS 10 -1.396 3.876 -0.755 80 2HB HIS 10 1HB HIS 10 -1.249 2.391 0.182 81 HD1 HIS 10 1HD HIS 10 -2.841 3.510 1.997 82 HD2 HIS 10 2HD HIS 10 0.853 5.383 1.501 83 HE1 HIS 10 1HE HIS 10 -2.535 5.037 3.998 84 HE2 HIS 10 2HE HIS 10 -0.291 6.182 3.704 85 H LEU 11 H LEU 11 0.997 3.558 -2.921 86 HA LEU 11 HA LEU 11 1.078 0.588 -3.372 87 1HB LEU 11 2HB LEU 11 -0.445 2.742 -4.734 88 2HB LEU 11 1HB LEU 11 0.290 1.547 -5.794 89 HG LEU 11 HG LEU 11 -0.779 -0.253 -4.420 90 1HD1 LEU 11 1HD1 LEU 11 -1.160 0.749 -2.314 91 2HD1 LEU 11 2HD1 LEU 11 -2.770 0.630 -3.014 92 3HD1 LEU 11 3HD1 LEU 11 -1.914 2.172 -3.025 93 1HD2 LEU 11 1HD2 LEU 11 -3.062 0.141 -5.297 94 2HD2 LEU 11 2HD2 LEU 11 -1.830 0.544 -6.493 95 3HD2 LEU 11 3HD2 LEU 11 -2.643 1.828 -5.597 96 H THR 12 H THR 12 2.582 -0.162 -4.915 97 HA THR 12 HA THR 12 4.507 1.898 -5.940 98 HB THR 12 HB THR 12 5.701 0.843 -4.173 99 HG1 THR 12 1HG THR 12 7.283 0.535 -5.479 100 1HG2 THR 12 1HG2 THR 12 4.033 -1.433 -4.856 101 2HG2 THR 12 2HG2 THR 12 4.949 -1.128 -3.382 102 3HG2 THR 12 3HG2 THR 12 5.727 -1.911 -4.755 103 H ASP 13 H ASP 13 6.093 0.218 -7.483 104 HA ASP 13 HA ASP 13 4.100 -0.914 -9.417 105 1HB ASP 13 2HB ASP 13 5.150 1.178 -10.217 106 2HB ASP 13 1HB ASP 13 6.741 0.441 -10.025 107 H THR 14 H THR 14 6.303 -1.967 -7.243 108 HA THR 14 HA THR 14 6.911 -4.339 -8.933 109 HB THR 14 HB THR 14 8.875 -2.831 -9.113 110 HG1 THR 14 1HG THR 14 8.882 -5.290 -8.689 111 1HG2 THR 14 1HG2 THR 14 9.138 -3.236 -6.126 112 2HG2 THR 14 2HG2 THR 14 8.496 -1.766 -6.859 113 3HG2 THR 14 3HG2 THR 14 10.165 -2.248 -7.164 114 H LYS 15 H LYS 15 7.446 -6.229 -7.675 115 HA LYS 15 HA LYS 15 6.022 -6.347 -5.145 116 1HB LYS 15 2HB LYS 15 7.881 -8.446 -6.291 117 2HB LYS 15 1HB LYS 15 6.541 -8.692 -5.170 118 1HG LYS 15 2HG LYS 15 4.919 -8.129 -6.862 119 2HG LYS 15 1HG LYS 15 6.178 -7.592 -7.971 120 1HD LYS 15 2HD LYS 15 5.686 -9.745 -8.762 121 2HD LYS 15 1HD LYS 15 7.097 -10.025 -7.744 122 1HE LYS 15 2HE LYS 15 5.317 -11.687 -7.300 123 2HE LYS 15 1HE LYS 15 5.635 -10.692 -5.880 124 1HZ LYS 15 1HZ LYS 15 3.222 -11.056 -6.560 125 2HZ LYS 15 2HZ LYS 15 3.534 -9.966 -7.826 126 3HZ LYS 15 3HZ LYS 15 3.703 -9.468 -6.210 127 H LYS 16 H LYS 16 9.293 -5.783 -6.120 128 HA LYS 16 HA LYS 16 10.173 -5.946 -3.258 129 1HB LYS 16 2HB LYS 16 11.827 -6.332 -5.774 130 2HB LYS 16 1HB LYS 16 12.438 -6.408 -4.122 131 1HG LYS 16 2HG LYS 16 11.347 -8.421 -3.662 132 2HG LYS 16 1HG LYS 16 10.136 -8.170 -4.919 133 1HD LYS 16 2HD LYS 16 11.655 -8.724 -6.653 134 2HD LYS 16 1HD LYS 16 13.053 -8.560 -5.591 135 1HE LYS 16 2HE LYS 16 12.410 -10.950 -6.063 136 2HE LYS 16 1HE LYS 16 12.425 -10.539 -4.348 137 1HZ LYS 16 1HZ LYS 16 9.899 -9.997 -5.558 138 2HZ LYS 16 2HZ LYS 16 10.260 -10.930 -4.185 139 3HZ LYS 16 3HZ LYS 16 10.336 -11.626 -5.733 140 H VAL 17 H VAL 17 9.183 -3.647 -3.415 141 HA VAL 17 HA VAL 17 10.259 -1.568 -4.959 142 HB VAL 17 HB VAL 17 9.624 -0.050 -3.137 143 1HG1 VAL 17 1HG1 VAL 17 7.937 -1.287 -4.646 144 2HG1 VAL 17 2HG1 VAL 17 7.316 -0.509 -3.190 145 3HG1 VAL 17 3HG1 VAL 17 7.576 -2.252 -3.218 146 1HG2 VAL 17 1HG2 VAL 17 10.351 -1.107 -1.159 147 2HG2 VAL 17 2HG2 VAL 17 9.572 -2.633 -1.579 148 3HG2 VAL 17 3HG2 VAL 17 8.597 -1.254 -1.073 149 H LYS 18 H LYS 18 11.662 0.229 -4.018 150 HA LYS 18 HA LYS 18 14.139 -1.020 -2.944 151 1HB LYS 18 2HB LYS 18 15.128 1.261 -3.651 152 2HB LYS 18 1HB LYS 18 14.636 0.168 -4.945 153 1HG LYS 18 2HG LYS 18 12.491 1.343 -5.156 154 2HG LYS 18 1HG LYS 18 12.929 2.410 -3.821 155 1HD LYS 18 2HD LYS 18 13.549 3.733 -5.628 156 2HD LYS 18 1HD LYS 18 15.065 2.885 -5.325 157 1HE LYS 18 2HE LYS 18 14.322 1.150 -7.014 158 2HE LYS 18 1HE LYS 18 12.976 2.217 -7.413 159 1HZ LYS 18 1HZ LYS 18 14.571 2.844 -8.924 160 2HZ LYS 18 2HZ LYS 18 15.858 2.629 -7.837 161 3HZ LYS 18 3HZ LYS 18 14.828 3.971 -7.683 162 H CYS 19 H CYS 19 12.710 -0.997 -0.898 163 HA CYS 19 HA CYS 19 11.730 0.988 0.595 164 1HB CYS 19 2HB CYS 19 13.721 -1.115 1.424 165 2HB CYS 19 1HB CYS 19 13.029 0.001 2.602 166 H ASP 20 H ASP 20 15.232 0.648 0.013 167 HA ASP 20 HA ASP 20 16.249 2.597 1.728 168 1HB ASP 20 2HB ASP 20 17.733 1.279 0.336 169 2HB ASP 20 1HB ASP 20 17.054 1.986 -1.131 170 H VAL 21 H VAL 21 14.713 3.064 -1.428 171 HA VAL 21 HA VAL 21 14.777 6.012 -0.991 172 HB VAL 21 HB VAL 21 13.747 4.745 -3.503 173 1HG1 VAL 21 1HG1 VAL 21 15.410 7.205 -2.882 174 2HG1 VAL 21 2HG1 VAL 21 13.691 7.180 -3.273 175 3HG1 VAL 21 3HG1 VAL 21 14.878 6.729 -4.495 176 1HG2 VAL 21 1HG2 VAL 21 16.141 4.721 -4.339 177 2HG2 VAL 21 2HG2 VAL 21 15.759 3.466 -3.161 178 3HG2 VAL 21 3HG2 VAL 21 16.652 4.903 -2.661 179 H GLU 22 H GLU 22 12.628 3.237 -1.432 180 HA GLU 22 HA GLU 22 10.171 4.611 -1.720 181 1HB GLU 22 2HB GLU 22 10.974 1.943 -1.322 182 2HB GLU 22 1HB GLU 22 9.898 2.296 0.028 183 1HG GLU 22 2HG GLU 22 9.289 2.587 -2.927 184 2HG GLU 22 1HG GLU 22 8.540 1.468 -1.789 185 H MET 23 H MET 23 12.395 4.782 0.741 186 HA MET 23 HA MET 23 10.355 5.847 2.662 187 1HB MET 23 2HB MET 23 12.857 4.231 3.215 188 2HB MET 23 1HB MET 23 12.016 5.150 4.462 189 1HG MET 23 2HG MET 23 9.901 3.859 3.703 190 2HG MET 23 1HG MET 23 11.029 2.768 2.898 191 1HE MET 23 1HE MET 23 11.569 4.566 6.682 192 2HE MET 23 2HE MET 23 10.229 3.574 7.249 193 3HE MET 23 3HE MET 23 10.008 4.626 5.855 194 H ALA 24 H ALA 24 13.795 5.945 1.697 195 HA ALA 24 HA ALA 24 14.334 8.425 3.061 196 1HB ALA 24 1HB ALA 24 15.799 7.344 0.642 197 2HB ALA 24 2HB ALA 24 16.053 6.726 2.274 198 3HB ALA 24 3HB ALA 24 16.435 8.407 1.898 199 H LYS 25 H LYS 25 12.215 7.916 0.663 200 HA LYS 25 HA LYS 25 12.747 9.770 -1.389 201 1HB LYS 25 2HB LYS 25 10.274 8.682 -0.114 202 2HB LYS 25 1HB LYS 25 10.080 10.103 -1.132 203 1HG LYS 25 2HG LYS 25 10.518 8.957 -3.053 204 2HG LYS 25 1HG LYS 25 11.780 7.982 -2.306 205 1HD LYS 25 2HD LYS 25 9.987 6.490 -2.843 206 2HD LYS 25 1HD LYS 25 9.945 6.721 -1.095 207 1HE LYS 25 2HE LYS 25 7.681 6.891 -2.097 208 2HE LYS 25 1HE LYS 25 8.179 8.403 -1.338 209 1HZ LYS 25 1HZ LYS 25 7.235 8.242 -3.818 210 2HZ LYS 25 2HZ LYS 25 8.898 8.094 -4.131 211 3HZ LYS 25 3HZ LYS 25 8.304 9.455 -3.303 212 H ALA 26 H ALA 26 10.804 11.746 -1.321 213 HA ALA 26 HA ALA 26 11.840 13.539 0.829 214 1HB ALA 26 1HB ALA 26 12.213 14.451 -1.364 215 2HB ALA 26 2HB ALA 26 10.865 15.349 -0.663 216 3HB ALA 26 3HB ALA 26 10.559 14.090 -1.860 217 H LEU 27 H LEU 27 9.062 11.785 -0.160 218 HA LEU 27 HA LEU 27 7.237 13.575 1.370 219 1HB LEU 27 2HB LEU 27 5.423 12.321 0.407 220 2HB LEU 27 1HB LEU 27 6.559 12.680 -0.888 221 HG LEU 27 HG LEU 27 7.535 10.272 0.034 222 1HD1 LEU 27 1HD1 LEU 27 5.515 8.786 0.173 223 2HD1 LEU 27 2HD1 LEU 27 4.508 10.228 0.262 224 3HD1 LEU 27 3HD1 LEU 27 5.667 9.882 1.545 225 1HD2 LEU 27 1HD2 LEU 27 5.576 10.979 -2.154 226 2HD2 LEU 27 2HD2 LEU 27 6.154 9.325 -1.954 227 3HD2 LEU 27 3HD2 LEU 27 7.298 10.623 -2.293 228 H PHE 28 H PHE 28 9.288 11.064 2.004 229 HA PHE 28 HA PHE 28 7.537 9.994 4.193 230 1HB PHE 28 2HB PHE 28 9.660 8.746 2.481 231 2HB PHE 28 1HB PHE 28 9.470 8.160 4.132 232 HD1 PHE 28 1HD PHE 28 6.859 7.868 4.834 233 HD2 PHE 28 2HD PHE 28 8.434 7.626 0.845 234 HE1 PHE 28 1HE PHE 28 4.895 6.525 4.139 235 HE2 PHE 28 2HE PHE 28 6.470 6.283 0.151 236 HZ PHE 28 HZ PHE 28 4.701 5.731 1.798 237 H ASP 29 H ASP 29 10.835 11.051 3.376 238 HA ASP 29 HA ASP 29 12.349 12.257 4.723 239 1HB ASP 29 2HB ASP 29 10.058 12.909 5.940 240 2HB ASP 29 1HB ASP 29 10.716 11.867 7.202 241 H CYS 30 H CYS 30 12.584 9.486 4.246 242 HA CYS 30 HA CYS 30 13.578 7.527 5.108 243 1HB CYS 30 2HB CYS 30 15.500 9.023 5.077 244 2HB CYS 30 1HB CYS 30 15.033 9.706 6.633 245 H LYS 31 H LYS 31 11.209 7.549 6.267 246 HA LYS 31 HA LYS 31 11.112 7.938 9.097 247 1HB LYS 31 2HB LYS 31 9.462 5.793 7.807 248 2HB LYS 31 1HB LYS 31 8.991 7.006 8.994 249 1HG LYS 31 2HG LYS 31 9.783 8.466 6.699 250 2HG LYS 31 1HG LYS 31 8.811 7.127 6.097 251 1HD LYS 31 2HD LYS 31 7.965 8.974 8.340 252 2HD LYS 31 1HD LYS 31 7.483 9.174 6.658 253 1HE LYS 31 2HE LYS 31 6.681 6.688 6.852 254 2HE LYS 31 1HE LYS 31 6.724 6.992 8.589 255 1HZ LYS 31 1HZ LYS 31 4.982 8.381 8.482 256 2HZ LYS 31 2HZ LYS 31 4.631 7.546 7.045 257 3HZ LYS 31 3HZ LYS 31 5.440 9.039 6.987 258 H LYS 32 H LYS 32 10.002 5.115 9.523 259 HA LYS 32 HA LYS 32 12.566 3.592 9.647 260 1HB LYS 32 2HB LYS 32 12.094 2.943 11.969 261 2HB LYS 32 1HB LYS 32 12.219 4.697 11.843 262 1HG LYS 32 2HG LYS 32 9.694 4.753 11.590 263 2HG LYS 32 1HG LYS 32 9.691 3.042 12.021 264 1HD LYS 32 2HD LYS 32 10.858 5.262 13.728 265 2HD LYS 32 1HD LYS 32 9.294 4.492 13.999 266 1HE LYS 32 2HE LYS 32 10.640 2.267 14.021 267 2HE LYS 32 1HE LYS 32 12.049 3.299 14.267 268 1HZ LYS 32 1HZ LYS 32 9.705 3.782 15.941 269 2HZ LYS 32 2HZ LYS 32 11.356 3.928 16.315 270 3HZ LYS 32 3HZ LYS 32 10.624 2.395 16.271 271 H THR 33 H THR 33 9.045 3.623 9.699 272 HA THR 33 HA THR 33 9.078 0.743 8.873 273 HB THR 33 HB THR 33 6.849 2.051 10.451 274 HG1 THR 33 1HG THR 33 8.625 0.238 11.604 275 1HG2 THR 33 1HG2 THR 33 6.234 0.054 9.185 276 2HG2 THR 33 2HG2 THR 33 6.271 -0.325 10.907 277 3HG2 THR 33 3HG2 THR 33 7.603 -0.826 9.865 278 H ASN 34 H ASN 34 7.847 0.316 7.031 279 HA ASN 34 HA ASN 34 5.891 2.330 6.117 280 1HB ASN 34 2HB ASN 34 8.386 2.787 5.299 281 2HB ASN 34 1HB ASN 34 7.973 1.552 4.111 282 1HD2 ASN 34 1HD2 ASN 34 8.299 4.613 3.872 283 2HD2 ASN 34 2HD2 ASN 34 6.872 5.114 3.107 284 H THR 35 H THR 35 4.456 1.508 4.533 285 HA THR 35 HA THR 35 4.809 -1.335 3.721 286 HB THR 35 HB THR 35 2.402 -0.168 5.147 287 HG1 THR 35 1HG THR 35 2.996 -1.466 6.723 288 1HG2 THR 35 1HG2 THR 35 1.514 -2.561 4.796 289 2HG2 THR 35 2HG2 THR 35 2.725 -2.689 3.521 290 3HG2 THR 35 3HG2 THR 35 1.455 -1.470 3.412 291 H PHE 36 H PHE 36 3.543 -1.885 1.819 292 HA PHE 36 HA PHE 36 2.047 0.300 0.497 293 1HB PHE 36 2HB PHE 36 4.078 -0.976 -1.267 294 2HB PHE 36 1HB PHE 36 3.450 0.666 -1.287 295 HD1 PHE 36 1HD PHE 36 6.043 -1.554 -0.025 296 HD2 PHE 36 2HD PHE 36 4.336 2.363 0.315 297 HE1 PHE 36 1HE PHE 36 8.093 -0.767 1.101 298 HE2 PHE 36 2HE PHE 36 6.392 3.158 1.445 299 HZ PHE 36 HZ PHE 36 8.275 1.589 1.827 300 H ILE 37 H ILE 37 1.288 -0.660 -1.788 301 HA ILE 37 HA ILE 37 0.688 -3.568 -1.411 302 HB ILE 37 HB ILE 37 -1.190 -1.505 -2.577 303 1HG1 ILE 37 2HG1 ILE 37 -1.677 -2.822 0.078 304 2HG1 ILE 37 1HG1 ILE 37 -0.560 -1.464 0.027 305 1HG2 ILE 37 1HG2 ILE 37 -2.845 -3.380 -2.150 306 2HG2 ILE 37 2HG2 ILE 37 -1.461 -4.419 -1.810 307 3HG2 ILE 37 3HG2 ILE 37 -1.656 -3.705 -3.411 308 1HD1 ILE 37 1HD1 ILE 37 -3.232 -1.168 0.334 309 2HD1 ILE 37 2HD1 ILE 37 -3.121 -1.067 -1.422 310 3HD1 ILE 37 3HD1 ILE 37 -2.206 0.054 -0.413 311 H TYR 38 H TYR 38 0.983 -4.846 -3.202 312 HA TYR 38 HA TYR 38 2.040 -3.472 -5.631 313 1HB TYR 38 2HB TYR 38 3.390 -5.310 -4.705 314 2HB TYR 38 1HB TYR 38 2.021 -6.408 -4.867 315 HD1 TYR 38 1HD TYR 38 3.952 -3.950 -6.948 316 HD2 TYR 38 2HD TYR 38 1.926 -7.735 -6.784 317 HE1 TYR 38 1HE TYR 38 4.595 -4.397 -9.302 318 HE2 TYR 38 2HE TYR 38 2.569 -8.180 -9.137 319 HH TYR 38 HH TYR 38 4.755 -7.134 -10.673 320 H ALA 39 H ALA 39 0.301 -2.844 -6.881 321 HA ALA 39 HA ALA 39 -1.305 -4.966 -8.105 322 1HB ALA 39 1HB ALA 39 -2.564 -4.463 -6.011 323 2HB ALA 39 2HB ALA 39 -3.477 -4.044 -7.461 324 3HB ALA 39 3HB ALA 39 -2.688 -2.779 -6.520 325 H LEU 40 H LEU 40 -2.357 -4.206 -10.044 326 HA LEU 40 HA LEU 40 -1.104 -1.777 -11.116 327 1HB LEU 40 2HB LEU 40 -1.427 -2.704 -13.177 328 2HB LEU 40 1HB LEU 40 -1.641 -4.178 -12.242 329 HG LEU 40 HG LEU 40 -4.180 -3.337 -12.164 330 1HD1 LEU 40 1HD1 LEU 40 -3.444 -1.240 -13.464 331 2HD1 LEU 40 2HD1 LEU 40 -4.833 -2.113 -14.100 332 3HD1 LEU 40 3HD1 LEU 40 -3.253 -2.308 -14.851 333 1HD2 LEU 40 1HD2 LEU 40 -3.407 -5.476 -13.102 334 2HD2 LEU 40 2HD2 LEU 40 -2.871 -4.650 -14.565 335 3HD2 LEU 40 3HD2 LEU 40 -4.589 -4.725 -14.175 336 HA PRO 41 HA PRO 41 -4.198 1.225 -10.236 337 1HB PRO 41 2HB PRO 41 -4.330 1.701 -13.179 338 2HB PRO 41 1HB PRO 41 -4.072 2.856 -11.859 339 1HG PRO 41 2HG PRO 41 -2.096 1.885 -13.486 340 2HG PRO 41 1HG PRO 41 -1.836 2.545 -11.866 341 1HD PRO 41 2HD PRO 41 -1.525 -0.204 -12.762 342 2HD PRO 41 1HD PRO 41 -1.118 0.499 -11.183 343 H GLY 42 H GLY 42 -4.970 -0.375 -13.353 344 1HA GLY 42 2HA GLY 42 -7.748 -0.079 -13.280 345 2HA GLY 42 1HA GLY 42 -6.955 -1.460 -14.032 346 H ARG 43 H ARG 43 -5.913 -2.843 -11.948 347 HA ARG 43 HA ARG 43 -8.156 -4.185 -10.832 348 1HB ARG 43 2HB ARG 43 -5.969 -5.269 -11.112 349 2HB ARG 43 1HB ARG 43 -5.272 -4.190 -9.902 350 1HG ARG 43 2HG ARG 43 -6.595 -5.127 -8.156 351 2HG ARG 43 1HG ARG 43 -7.645 -5.962 -9.300 352 1HD ARG 43 2HD ARG 43 -5.691 -7.335 -10.029 353 2HD ARG 43 1HD ARG 43 -4.719 -6.559 -8.781 354 HE ARG 43 HE ARG 43 -6.859 -7.537 -7.358 355 1HH1 ARG 43 1HH2 ARG 43 -4.674 -8.833 -9.690 356 2HH1 ARG 43 2HH2 ARG 43 -4.728 -10.439 -9.044 357 1HH2 ARG 43 1HH1 ARG 43 -6.942 -9.627 -6.501 358 2HH2 ARG 43 2HH1 ARG 43 -6.011 -10.888 -7.238 359 H VAL 44 H VAL 44 -6.225 -1.490 -9.630 360 HA VAL 44 HA VAL 44 -7.253 -1.686 -6.913 361 HB VAL 44 HB VAL 44 -5.939 0.657 -8.321 362 1HG1 VAL 44 1HG1 VAL 44 -6.710 0.066 -5.471 363 2HG1 VAL 44 2HG1 VAL 44 -6.896 1.563 -6.386 364 3HG1 VAL 44 3HG1 VAL 44 -5.304 1.075 -5.805 365 1HG2 VAL 44 1HG2 VAL 44 -3.860 -0.158 -7.483 366 2HG2 VAL 44 2HG2 VAL 44 -4.654 -1.566 -8.188 367 3HG2 VAL 44 3HG2 VAL 44 -4.657 -1.336 -6.440 368 H LYS 45 H LYS 45 -7.794 0.716 -9.518 369 HA LYS 45 HA LYS 45 -10.023 1.961 -8.218 370 1HB LYS 45 2HB LYS 45 -9.664 1.797 -11.217 371 2HB LYS 45 1HB LYS 45 -10.391 3.099 -10.275 372 1HG LYS 45 2HG LYS 45 -8.207 3.622 -9.277 373 2HG LYS 45 1HG LYS 45 -7.467 2.298 -10.173 374 1HD LYS 45 2HD LYS 45 -7.061 4.415 -11.337 375 2HD LYS 45 1HD LYS 45 -8.119 3.387 -12.303 376 1HE LYS 45 2HE LYS 45 -9.391 5.304 -10.386 377 2HE LYS 45 1HE LYS 45 -8.715 5.946 -11.882 378 1HZ LYS 45 1HZ LYS 45 -10.320 5.015 -13.094 379 2HZ LYS 45 2HZ LYS 45 -11.170 4.861 -11.631 380 3HZ LYS 45 3HZ LYS 45 -10.273 3.552 -12.238 381 H ALA 46 H ALA 46 -9.658 -0.994 -9.925 382 HA ALA 46 HA ALA 46 -12.527 -1.287 -10.532 383 1HB ALA 46 1HB ALA 46 -10.853 -2.209 -12.092 384 2HB ALA 46 2HB ALA 46 -11.832 -3.505 -11.407 385 3HB ALA 46 3HB ALA 46 -10.202 -3.221 -10.802 386 H LEU 47 H LEU 47 -10.312 -2.037 -7.980 387 HA LEU 47 HA LEU 47 -11.834 -4.252 -6.876 388 1HB LEU 47 2HB LEU 47 -9.471 -2.631 -6.077 389 2HB LEU 47 1HB LEU 47 -10.380 -3.363 -4.758 390 HG LEU 47 HG LEU 47 -9.617 -5.019 -7.159 391 1HD1 LEU 47 1HD1 LEU 47 -7.880 -4.498 -4.727 392 2HD1 LEU 47 2HD1 LEU 47 -7.538 -3.938 -6.363 393 3HD1 LEU 47 3HD1 LEU 47 -7.541 -5.664 -6.005 394 1HD2 LEU 47 1HD2 LEU 47 -11.190 -5.978 -5.539 395 2HD2 LEU 47 2HD2 LEU 47 -10.087 -5.606 -4.216 396 3HD2 LEU 47 3HD2 LEU 47 -9.642 -6.812 -5.422 397 H CYS 48 H CYS 48 -12.604 -1.038 -7.138 398 HA CYS 48 HA CYS 48 -14.291 -1.173 -4.666 399 1HB CYS 48 2HB CYS 48 -12.368 0.545 -4.629 400 2HB CYS 48 1HB CYS 48 -13.293 1.421 -5.849 401 H LYS 49 H LYS 49 -14.354 -1.282 -7.942 402 HA LYS 49 HA LYS 49 -16.409 0.569 -8.651 403 1HB LYS 49 2HB LYS 49 -16.682 -0.757 -10.650 404 2HB LYS 49 1HB LYS 49 -14.964 -0.743 -10.252 405 1HG LYS 49 2HG LYS 49 -15.393 -2.927 -8.982 406 2HG LYS 49 1HG LYS 49 -16.958 -2.968 -9.795 407 1HD LYS 49 2HD LYS 49 -15.666 -2.688 -11.986 408 2HD LYS 49 1HD LYS 49 -14.211 -3.042 -11.055 409 1HE LYS 49 2HE LYS 49 -15.239 -5.178 -10.306 410 2HE LYS 49 1HE LYS 49 -16.645 -4.833 -11.312 411 1HZ LYS 49 1HZ LYS 49 -15.500 -5.943 -12.862 412 2HZ LYS 49 2HZ LYS 49 -14.011 -5.745 -12.069 413 3HZ LYS 49 3HZ LYS 49 -14.629 -4.500 -13.046 414 H ASN 50 H ASN 50 -18.655 0.350 -8.702 415 HA ASN 50 HA ASN 50 -20.769 -0.516 -8.199 416 1HB ASN 50 2HB ASN 50 -21.027 -2.725 -8.600 417 2HB ASN 50 1HB ASN 50 -19.283 -2.794 -8.827 418 1HD2 ASN 50 1HD2 ASN 50 -21.574 -4.503 -7.327 419 2HD2 ASN 50 2HD2 ASN 50 -20.768 -4.964 -5.907 420 H ILE 51 H ILE 51 -18.243 -0.147 -6.042 421 HA ILE 51 HA ILE 51 -19.648 -1.083 -3.650 422 HB ILE 51 HB ILE 51 -17.211 0.691 -3.971 423 1HG1 ILE 51 2HG1 ILE 51 -16.819 -1.578 -4.787 424 2HG1 ILE 51 1HG1 ILE 51 -15.994 -1.363 -3.246 425 1HG2 ILE 51 1HG2 ILE 51 -18.613 -0.426 -1.556 426 2HG2 ILE 51 2HG2 ILE 51 -17.990 1.204 -1.823 427 3HG2 ILE 51 3HG2 ILE 51 -16.877 -0.127 -1.520 428 1HD1 ILE 51 1HD1 ILE 51 -18.267 -2.313 -2.260 429 2HD1 ILE 51 2HD1 ILE 51 -17.030 -3.404 -2.879 430 3HD1 ILE 51 3HD1 ILE 51 -18.423 -2.997 -3.878 431 H ARG 52 H ARG 52 -19.873 0.665 -1.819 432 HA ARG 52 HA ARG 52 -21.614 2.781 -2.943 433 1HB ARG 52 2HB ARG 52 -21.190 2.204 -0.011 434 2HB ARG 52 1HB ARG 52 -22.596 2.924 -0.796 435 1HG ARG 52 2HG ARG 52 -22.945 0.731 -1.997 436 2HG ARG 52 1HG ARG 52 -21.675 0.044 -0.984 437 1HD ARG 52 2HD ARG 52 -23.050 0.931 1.016 438 2HD ARG 52 1HD ARG 52 -24.369 1.113 -0.141 439 HE ARG 52 HE ARG 52 -24.572 -1.247 -0.214 440 1HH1 ARG 52 1HH2 ARG 52 -21.662 -0.204 1.311 441 2HH1 ARG 52 2HH2 ARG 52 -21.238 -1.784 1.883 442 1HH2 ARG 52 1HH1 ARG 52 -24.036 -3.316 0.523 443 2HH2 ARG 52 2HH1 ARG 52 -22.582 -3.545 1.437 444 H ASP 53 H ASP 53 -21.442 4.656 -0.881 445 HA ASP 53 HA ASP 53 -19.181 6.225 -1.689 446 1HB ASP 53 2HB ASP 53 -20.841 6.577 0.811 447 2HB ASP 53 1HB ASP 53 -19.920 7.816 -0.042 448 H ASN 54 H ASN 54 -18.652 7.166 1.052 449 HA ASN 54 HA ASN 54 -16.221 5.740 1.508 450 1HB ASN 54 2HB ASN 54 -16.191 7.006 3.691 451 2HB ASN 54 1HB ASN 54 -16.415 8.021 2.266 452 1HD2 ASN 54 1HD2 ASN 54 -17.734 7.274 5.322 453 2HD2 ASN 54 2HD2 ASN 54 -19.253 8.001 5.111 454 H THR 55 H THR 55 -16.087 3.706 2.244 455 HA THR 55 HA THR 55 -17.548 2.929 4.677 456 HB THR 55 HB THR 55 -17.752 1.039 2.347 457 HG1 THR 55 1HG THR 55 -19.493 2.052 1.586 458 1HG2 THR 55 1HG2 THR 55 -18.334 0.271 4.610 459 2HG2 THR 55 2HG2 THR 55 -19.768 0.327 3.584 460 3HG2 THR 55 3HG2 THR 55 -19.482 1.600 4.771 461 H ASP 56 H ASP 56 -16.746 0.705 5.396 462 HA ASP 56 HA ASP 56 -13.837 0.548 4.825 463 1HB ASP 56 2HB ASP 56 -15.473 -0.873 6.946 464 2HB ASP 56 1HB ASP 56 -13.712 -0.809 6.849 465 H VAL 57 H VAL 57 -13.202 -0.878 3.303 466 HA VAL 57 HA VAL 57 -14.824 -3.364 2.908 467 HB VAL 57 HB VAL 57 -13.660 -3.413 0.643 468 1HG1 VAL 57 1HG1 VAL 57 -15.475 -1.098 1.377 469 2HG1 VAL 57 2HG1 VAL 57 -15.969 -2.696 0.815 470 3HG1 VAL 57 3HG1 VAL 57 -15.134 -1.594 -0.281 471 1HG2 VAL 57 1HG2 VAL 57 -11.839 -1.823 1.360 472 2HG2 VAL 57 2HG2 VAL 57 -13.039 -0.531 1.350 473 3HG2 VAL 57 3HG2 VAL 57 -12.631 -1.368 -0.147 474 H LEU 58 H LEU 58 -13.224 -5.132 1.864 475 HA LEU 58 HA LEU 58 -10.530 -5.099 3.025 476 1HB LEU 58 2HB LEU 58 -11.725 -5.688 5.019 477 2HB LEU 58 1HB LEU 58 -12.766 -6.805 4.145 478 HG LEU 58 HG LEU 58 -10.884 -8.319 3.763 479 1HD1 LEU 58 1HD1 LEU 58 -8.706 -7.789 4.942 480 2HD1 LEU 58 2HD1 LEU 58 -9.308 -6.153 5.162 481 3HD1 LEU 58 3HD1 LEU 58 -9.045 -6.784 3.542 482 1HD2 LEU 58 1HD2 LEU 58 -11.160 -7.330 6.611 483 2HD2 LEU 58 2HD2 LEU 58 -10.355 -8.836 6.171 484 3HD2 LEU 58 3HD2 LEU 58 -12.075 -8.628 5.845 485 H SER 59 H SER 59 -9.190 -6.603 1.939 486 HA SER 59 HA SER 59 -10.051 -7.615 -0.551 487 1HB SER 59 2HB SER 59 -7.746 -7.607 -0.424 488 2HB SER 59 1HB SER 59 -7.733 -8.173 1.241 489 HG SER 59 HG SER 59 -8.825 -9.933 -0.572 490 H ARG 60 H ARG 60 -10.629 -9.753 -1.237 491 HA ARG 60 HA ARG 60 -12.165 -11.215 0.824 492 1HB ARG 60 2HB ARG 60 -12.001 -11.925 -2.106 493 2HB ARG 60 1HB ARG 60 -13.309 -12.250 -0.970 494 1HG ARG 60 2HG ARG 60 -12.477 -9.539 -2.040 495 2HG ARG 60 1HG ARG 60 -13.972 -10.402 -2.404 496 1HD ARG 60 2HD ARG 60 -14.422 -10.359 0.125 497 2HD ARG 60 1HD ARG 60 -13.124 -9.169 0.222 498 HE ARG 60 HE ARG 60 -15.795 -8.667 -0.760 499 1HH1 ARG 60 1HH2 ARG 60 -12.449 -7.942 -1.165 500 2HH1 ARG 60 2HH2 ARG 60 -12.733 -6.368 -1.827 501 1HH2 ARG 60 1HH1 ARG 60 -16.186 -6.614 -1.624 502 2HH2 ARG 60 2HH1 ARG 60 -14.849 -5.616 -2.088 503 H ASP 61 H ASP 61 -9.036 -11.307 0.048 504 HA ASP 61 HA ASP 61 -8.756 -14.080 0.906 505 1HB ASP 61 2HB ASP 61 -8.154 -13.268 -1.939 506 2HB ASP 61 1HB ASP 61 -7.302 -14.611 -1.175 507 H ALA 62 H ALA 62 -6.383 -12.552 -1.177 508 HA ALA 62 HA ALA 62 -4.943 -11.409 1.113 509 1HB ALA 62 1HB ALA 62 -3.545 -13.537 -0.503 510 2HB ALA 62 2HB ALA 62 -4.434 -13.934 0.968 511 3HB ALA 62 3HB ALA 62 -3.058 -12.835 1.039 512 H PHE 63 H PHE 63 -2.787 -10.471 0.334 513 HA PHE 63 HA PHE 63 -2.643 -9.902 -2.554 514 1HB PHE 63 2HB PHE 63 -3.490 -7.892 -0.488 515 2HB PHE 63 1HB PHE 63 -2.482 -7.351 -1.831 516 HD1 PHE 63 1HD PHE 63 -3.334 -7.238 -4.079 517 HD2 PHE 63 2HD PHE 63 -5.723 -8.905 -0.922 518 HE1 PHE 63 1HE PHE 63 -5.322 -7.192 -5.560 519 HE2 PHE 63 2HE PHE 63 -7.711 -8.860 -2.404 520 HZ PHE 63 HZ PHE 63 -7.511 -8.004 -4.722 521 H LEU 64 H LEU 64 -0.522 -9.573 -3.138 522 HA LEU 64 HA LEU 64 1.522 -9.879 -1.074 523 1HB LEU 64 2HB LEU 64 1.534 -10.815 -3.496 524 2HB LEU 64 1HB LEU 64 2.042 -9.197 -3.970 525 HG LEU 64 HG LEU 64 3.511 -10.568 -1.729 526 1HD1 LEU 64 1HD1 LEU 64 3.707 -11.223 -4.668 527 2HD1 LEU 64 2HD1 LEU 64 3.594 -12.331 -3.301 528 3HD1 LEU 64 3HD1 LEU 64 5.084 -11.430 -3.585 529 1HD2 LEU 64 1HD2 LEU 64 4.134 -8.281 -2.205 530 2HD2 LEU 64 2HD2 LEU 64 4.227 -8.609 -3.935 531 3HD2 LEU 64 3HD2 LEU 64 5.414 -9.313 -2.838 532 H LEU 65 H LEU 65 2.109 -8.117 0.124 533 HA LEU 65 HA LEU 65 2.328 -5.505 -1.312 534 1HB LEU 65 2HB LEU 65 2.168 -5.012 1.477 535 2HB LEU 65 1HB LEU 65 0.992 -4.597 0.247 536 HG LEU 65 HG LEU 65 1.044 -7.373 1.386 537 1HD1 LEU 65 1HD1 LEU 65 0.967 -5.897 3.320 538 2HD1 LEU 65 2HD1 LEU 65 -0.653 -6.536 3.038 539 3HD1 LEU 65 3HD1 LEU 65 -0.255 -4.889 2.546 540 1HD2 LEU 65 1HD2 LEU 65 -1.090 -5.553 0.207 541 2HD2 LEU 65 2HD2 LEU 65 -1.378 -7.189 0.794 542 3HD2 LEU 65 3HD2 LEU 65 -0.341 -6.925 -0.605 543 HA PRO 66 HA PRO 66 6.600 -5.925 0.044 544 1HB PRO 66 2HB PRO 66 7.499 -3.562 -1.020 545 2HB PRO 66 1HB PRO 66 7.265 -5.035 -1.978 546 1HG PRO 66 2HG PRO 66 5.586 -2.609 -1.811 547 2HG PRO 66 1HG PRO 66 5.848 -3.708 -3.167 548 1HD PRO 66 2HD PRO 66 3.586 -3.683 -1.548 549 2HD PRO 66 1HD PRO 66 4.098 -5.043 -2.571 550 H GLN 67 H GLN 67 7.773 -5.001 1.847 551 HA GLN 67 HA GLN 67 6.682 -2.481 2.973 552 1HB GLN 67 2HB GLN 67 7.025 -4.844 4.808 553 2HB GLN 67 1HB GLN 67 6.065 -3.384 5.046 554 1HG GLN 67 2HG GLN 67 4.538 -4.126 3.225 555 2HG GLN 67 1HG GLN 67 5.469 -5.616 3.081 556 1HE2 GLN 67 1HE2 GLN 67 2.895 -6.104 3.716 557 2HE2 GLN 67 2HE2 GLN 67 2.695 -6.451 5.365 558 H CYS 68 H CYS 68 8.098 -1.432 4.417 559 HA CYS 68 HA CYS 68 10.922 -2.428 4.307 560 1HB CYS 68 2HB CYS 68 9.970 0.384 4.890 561 2HB CYS 68 1HB CYS 68 11.608 -0.132 4.485 562 H ASP 69 H ASP 69 12.076 -2.641 6.239 563 HA ASP 69 HA ASP 69 10.690 -1.830 8.763 564 1HB ASP 69 2HB ASP 69 10.194 -4.201 8.446 565 2HB ASP 69 1HB ASP 69 11.903 -4.551 8.187 566 H ARG 70 H ARG 70 12.087 -0.472 9.769 567 HA ARG 70 HA ARG 70 14.892 -0.324 9.179 568 1HB ARG 70 2HB ARG 70 13.380 1.483 10.221 569 2HB ARG 70 1HB ARG 70 13.629 0.638 11.749 570 1HG ARG 70 2HG ARG 70 16.148 0.800 11.222 571 2HG ARG 70 1HG ARG 70 15.690 1.986 10.000 572 1HD ARG 70 2HD ARG 70 16.178 3.240 11.976 573 2HD ARG 70 1HD ARG 70 14.419 3.205 11.849 574 HE ARG 70 HE ARG 70 15.394 1.001 13.448 575 1HH1 ARG 70 1HH2 ARG 70 14.741 4.386 13.387 576 2HH1 ARG 70 2HH2 ARG 70 14.452 4.495 15.091 577 1HH2 ARG 70 1HH1 ARG 70 15.020 1.125 15.672 578 2HH2 ARG 70 2HH1 ARG 70 14.609 2.648 16.385 579 H ILE 71 H ILE 71 16.682 -0.982 10.513 580 HA ILE 71 HA ILE 71 16.260 -2.593 12.894 581 HB ILE 71 HB ILE 71 15.609 -4.218 11.135 582 1HG1 ILE 71 2HG1 ILE 71 18.330 -4.900 12.284 583 2HG1 ILE 71 1HG1 ILE 71 16.851 -4.888 13.247 584 1HG2 ILE 71 1HG2 ILE 71 18.467 -4.013 10.167 585 2HG2 ILE 71 2HG2 ILE 71 17.146 -3.129 9.404 586 3HG2 ILE 71 3HG2 ILE 71 17.133 -4.893 9.424 587 1HD1 ILE 71 1HD1 ILE 71 15.859 -6.605 11.866 588 2HD1 ILE 71 2HD1 ILE 71 17.465 -7.159 12.337 589 3HD1 ILE 71 3HD1 ILE 71 17.194 -6.518 10.716 590 H LYS 72 H LYS 72 18.436 -1.662 10.246 591 HA LYS 72 HA LYS 72 20.627 -1.424 12.272 592 1HB LYS 72 2HB LYS 72 21.033 -3.426 10.905 593 2HB LYS 72 1HB LYS 72 20.870 -2.467 9.434 594 1HG LYS 72 2HG LYS 72 22.869 -1.282 9.835 595 2HG LYS 72 1HG LYS 72 22.890 -1.719 11.545 596 1HD LYS 72 2HD LYS 72 23.517 -3.965 11.070 597 2HD LYS 72 1HD LYS 72 23.127 -3.793 9.359 598 1HE LYS 72 2HE LYS 72 25.555 -3.699 9.669 599 2HE LYS 72 1HE LYS 72 24.959 -2.130 9.131 600 1HZ LYS 72 1HZ LYS 72 26.341 -2.767 11.498 601 2HZ LYS 72 2HZ LYS 72 24.805 -2.164 11.906 602 3HZ LYS 72 3HZ LYS 72 25.851 -1.244 10.934 603 H LEU 73 H LEU 73 22.400 0.062 11.435 604 HA LEU 73 HA LEU 73 22.983 2.227 10.774 605 1HB LEU 73 2HB LEU 73 21.830 0.804 8.511 606 2HB LEU 73 1HB LEU 73 21.535 2.530 8.360 607 HG LEU 73 HG LEU 73 24.045 2.810 8.936 608 1HD1 LEU 73 1HD1 LEU 73 23.980 -0.112 8.124 609 2HD1 LEU 73 2HD1 LEU 73 24.398 0.503 9.724 610 3HD1 LEU 73 3HD1 LEU 73 25.438 0.856 8.344 611 1HD2 LEU 73 1HD2 LEU 73 23.146 3.228 6.696 612 2HD2 LEU 73 2HD2 LEU 73 23.168 1.501 6.343 613 3HD2 LEU 73 3HD2 LEU 73 24.684 2.374 6.565 614 HA PRO 74 HA PRO 74 19.619 4.970 11.716 615 1HB PRO 74 2HB PRO 74 20.324 7.305 10.573 616 2HB PRO 74 1HB PRO 74 21.305 6.567 11.856 617 1HG PRO 74 2HG PRO 74 21.771 6.634 8.920 618 2HG PRO 74 1HG PRO 74 22.935 6.724 10.252 619 1HD PRO 74 2HD PRO 74 22.346 4.418 8.762 620 2HD PRO 74 1HD PRO 74 23.177 4.447 10.330 621 H CYS 75 H CYS 75 20.296 4.793 8.243 622 HA CYS 75 HA CYS 75 17.389 5.302 7.740 623 1HB CYS 75 2HB CYS 75 19.017 7.215 7.123 624 2HB CYS 75 1HB CYS 75 19.551 6.155 5.818 625 H HIS 76 H HIS 76 18.567 2.736 8.045 626 HA HIS 76 HA HIS 76 18.510 1.713 5.225 627 1HB HIS 76 2HB HIS 76 20.658 1.366 6.559 628 2HB HIS 76 1HB HIS 76 19.726 0.303 7.613 629 HD1 HIS 76 1HD HIS 76 20.279 0.689 3.845 630 HD2 HIS 76 2HD HIS 76 19.785 -2.302 6.711 631 HE1 HIS 76 1HE HIS 76 20.485 -1.521 2.620 632 HE2 HIS 76 2HE HIS 76 20.187 -3.347 4.355 633 H TYR 77 H TYR 77 17.155 -0.106 4.829 634 HA TYR 77 HA TYR 77 15.453 -0.998 7.115 635 1HB TYR 77 2HB TYR 77 14.190 -0.566 4.436 636 2HB TYR 77 1HB TYR 77 13.451 -0.535 6.035 637 HD1 TYR 77 1HD TYR 77 13.468 1.464 7.393 638 HD2 TYR 77 2HD TYR 77 15.507 1.360 3.613 639 HE1 TYR 77 1HE TYR 77 13.707 3.930 7.454 640 HE2 TYR 77 2HE TYR 77 15.748 3.828 3.674 641 HH TYR 77 HH TYR 77 14.227 5.755 6.220 642 H LYS 78 H LYS 78 14.226 -2.999 6.569 643 HA LYS 78 HA LYS 78 15.857 -4.758 4.786 644 1HB LYS 78 2HB LYS 78 15.578 -5.284 7.297 645 2HB LYS 78 1HB LYS 78 13.903 -5.671 6.907 646 1HG LYS 78 2HG LYS 78 14.883 -7.763 6.648 647 2HG LYS 78 1HG LYS 78 15.021 -7.143 5.003 648 1HD LYS 78 2HD LYS 78 17.322 -6.412 5.447 649 2HD LYS 78 1HD LYS 78 17.189 -6.960 7.118 650 1HE LYS 78 2HE LYS 78 16.767 -8.809 4.762 651 2HE LYS 78 1HE LYS 78 18.344 -8.573 5.513 652 1HZ LYS 78 1HZ LYS 78 17.570 -10.320 6.725 653 2HZ LYS 78 2HZ LYS 78 15.941 -9.856 6.588 654 3HZ LYS 78 3HZ LYS 78 16.968 -9.049 7.673 655 H LEU 79 H LEU 79 14.777 -5.995 3.210 656 HA LEU 79 HA LEU 79 12.134 -4.960 2.431 657 1HB LEU 79 2HB LEU 79 14.269 -5.667 0.946 658 2HB LEU 79 1HB LEU 79 13.412 -7.207 0.935 659 HG LEU 79 HG LEU 79 12.212 -4.533 0.147 660 1HD1 LEU 79 1HD1 LEU 79 12.407 -5.232 -2.112 661 2HD1 LEU 79 2HD1 LEU 79 12.791 -6.891 -1.652 662 3HD1 LEU 79 3HD1 LEU 79 13.974 -5.608 -1.395 663 1HD2 LEU 79 1HD2 LEU 79 10.419 -6.154 -0.777 664 2HD2 LEU 79 2HD2 LEU 79 10.445 -5.886 0.966 665 3HD2 LEU 79 3HD2 LEU 79 11.145 -7.357 0.290 666 H SER 80 H SER 80 10.264 -5.958 2.971 667 HA SER 80 HA SER 80 10.235 -8.899 3.370 668 1HB SER 80 2HB SER 80 10.493 -8.335 5.628 669 2HB SER 80 1HB SER 80 9.608 -6.823 5.453 670 HG SER 80 HG SER 80 8.070 -8.035 6.281 671 H SER 81 H SER 81 8.449 -9.725 2.382 672 HA SER 81 HA SER 81 6.017 -8.022 2.141 673 1HB SER 81 2HB SER 81 7.624 -8.006 0.051 674 2HB SER 81 1HB SER 81 6.941 -9.603 -0.244 675 HG SER 81 HG SER 81 5.006 -7.851 0.419 676 H SER 82 H SER 82 4.081 -9.308 1.646 677 HA SER 82 HA SER 82 4.240 -12.212 1.608 678 1HB SER 82 2HB SER 82 3.285 -10.829 4.134 679 2HB SER 82 1HB SER 82 3.069 -12.542 3.787 680 HG SER 82 HG SER 82 4.933 -12.406 4.934 681 H THR 83 H THR 83 1.998 -13.163 1.675 682 HA THR 83 HA THR 83 0.122 -11.272 0.377 683 HB THR 83 HB THR 83 -0.893 -13.779 -0.001 684 HG1 THR 83 1HG THR 83 1.826 -14.196 -0.362 685 1HG2 THR 83 1HG2 THR 83 1.193 -12.256 -1.564 686 2HG2 THR 83 2HG2 THR 83 -0.553 -12.239 -1.807 687 3HG2 THR 83 3HG2 THR 83 0.378 -13.686 -2.199 688 H ASN 84 H ASN 84 -1.518 -10.545 1.624 689 HA ASN 84 HA ASN 84 -3.011 -12.388 3.340 690 1HB ASN 84 2HB ASN 84 -2.697 -10.894 5.377 691 2HB ASN 84 1HB ASN 84 -1.295 -11.868 4.936 692 1HD2 ASN 84 1HD2 ASN 84 -0.500 -9.778 6.373 693 2HD2 ASN 84 2HD2 ASN 84 0.093 -8.501 5.423 694 H THR 85 H THR 85 -5.035 -11.403 4.074 695 HA THR 85 HA THR 85 -6.142 -9.550 2.211 696 HB THR 85 HB THR 85 -7.480 -9.728 4.839 697 HG1 THR 85 1HG THR 85 -7.512 -12.131 3.504 698 1HG2 THR 85 1HG2 THR 85 -8.165 -10.371 1.969 699 2HG2 THR 85 2HG2 THR 85 -8.786 -9.062 2.975 700 3HG2 THR 85 3HG2 THR 85 -9.263 -10.726 3.301 701 H ILE 86 H ILE 86 -7.015 -7.354 2.804 702 HA ILE 86 HA ILE 86 -5.646 -6.051 5.077 703 HB ILE 86 HB ILE 86 -4.211 -4.740 3.877 704 1HG1 ILE 86 2HG1 ILE 86 -6.085 -3.516 2.739 705 2HG1 ILE 86 1HG1 ILE 86 -4.674 -3.731 1.717 706 1HG2 ILE 86 1HG2 ILE 86 -3.415 -5.844 1.787 707 2HG2 ILE 86 2HG2 ILE 86 -4.823 -6.901 1.838 708 3HG2 ILE 86 3HG2 ILE 86 -3.618 -6.971 3.124 709 1HD1 ILE 86 1HD1 ILE 86 -7.226 -4.379 0.961 710 2HD1 ILE 86 2HD1 ILE 86 -6.629 -5.937 1.533 711 3HD1 ILE 86 3HD1 ILE 86 -5.770 -5.078 0.256 712 H CYS 87 H CYS 87 -7.003 -4.614 6.024 713 HA CYS 87 HA CYS 87 -9.589 -4.059 4.774 714 1HB CYS 87 2HB CYS 87 -8.345 -3.672 7.451 715 2HB CYS 87 1HB CYS 87 -9.633 -2.549 7.010 716 H ILE 88 H ILE 88 -10.176 -2.179 3.802 717 HA ILE 88 HA ILE 88 -8.488 0.228 4.105 718 HB ILE 88 HB ILE 88 -7.290 -0.342 2.245 719 1HG1 ILE 88 2HG1 ILE 88 -9.860 0.116 0.712 720 2HG1 ILE 88 1HG1 ILE 88 -8.947 1.431 1.450 721 1HG2 ILE 88 1HG2 ILE 88 -9.577 -2.170 1.462 722 2HG2 ILE 88 2HG2 ILE 88 -8.092 -2.653 2.274 723 3HG2 ILE 88 3HG2 ILE 88 -8.035 -2.061 0.616 724 1HD1 ILE 88 1HD1 ILE 88 -7.186 -0.310 -0.071 725 2HD1 ILE 88 2HD1 ILE 88 -7.443 1.427 -0.227 726 3HD1 ILE 88 3HD1 ILE 88 -8.498 0.299 -1.077 727 H THR 89 H THR 89 -9.614 2.162 3.384 728 HA THR 89 HA THR 89 -12.562 1.713 3.144 729 HB THR 89 HB THR 89 -10.877 3.782 4.452 730 HG1 THR 89 1HG THR 89 -12.775 2.059 5.050 731 1HG2 THR 89 1HG2 THR 89 -12.882 5.372 4.360 732 2HG2 THR 89 2HG2 THR 89 -13.450 4.412 2.995 733 3HG2 THR 89 3HG2 THR 89 -11.910 5.265 2.893 734 H CYS 90 H CYS 90 -13.680 2.565 1.421 735 HA CYS 90 HA CYS 90 -12.184 4.197 -0.577 736 1HB CYS 90 2HB CYS 90 -11.976 1.942 -1.409 737 2HB CYS 90 1HB CYS 90 -13.678 1.613 -1.091 738 H VAL 91 H VAL 91 -13.708 5.216 -2.170 739 HA VAL 91 HA VAL 91 -16.250 5.922 -0.814 740 HB VAL 91 HB VAL 91 -14.502 7.643 -1.626 741 1HG1 VAL 91 1HG1 VAL 91 -14.645 6.347 -3.998 742 2HG1 VAL 91 2HG1 VAL 91 -14.203 8.047 -3.857 743 3HG1 VAL 91 3HG1 VAL 91 -15.853 7.602 -4.277 744 1HG2 VAL 91 1HG2 VAL 91 -17.468 7.710 -2.085 745 2HG2 VAL 91 2HG2 VAL 91 -16.496 9.081 -2.612 746 3HG2 VAL 91 3HG2 VAL 91 -16.496 8.599 -0.917 747 H ASN 92 H ASN 92 -17.227 6.886 -3.546 748 HA ASN 92 HA ASN 92 -18.976 4.812 -4.166 749 1HB ASN 92 2HB ASN 92 -18.948 7.239 -5.029 750 2HB ASN 92 1HB ASN 92 -17.885 6.632 -6.298 751 1HD2 ASN 92 1HD2 ASN 92 -20.960 5.534 -4.732 752 2HD2 ASN 92 2HD2 ASN 92 -21.725 5.132 -6.193 753 H GLN 93 H GLN 93 -15.726 5.287 -5.290 754 HA GLN 93 HA GLN 93 -15.310 2.542 -5.923 755 1HB GLN 93 2HB GLN 93 -15.125 2.879 -8.468 756 2HB GLN 93 1HB GLN 93 -16.750 2.738 -7.802 757 1HG GLN 93 2HG GLN 93 -17.093 5.106 -7.893 758 2HG GLN 93 1HG GLN 93 -15.387 5.405 -8.226 759 1HE2 GLN 93 1HE2 GLN 93 -14.633 4.041 -10.328 760 2HE2 GLN 93 2HE2 GLN 93 -15.683 4.172 -11.655 761 H LEU 94 H LEU 94 -13.871 4.560 -4.599 762 HA LEU 94 HA LEU 94 -11.355 4.520 -6.163 763 1HB LEU 94 2HB LEU 94 -12.873 6.966 -5.357 764 2HB LEU 94 1HB LEU 94 -11.118 7.022 -5.218 765 HG LEU 94 HG LEU 94 -12.346 5.991 -7.761 766 1HD1 LEU 94 1HD1 LEU 94 -13.533 8.086 -7.376 767 2HD1 LEU 94 2HD1 LEU 94 -12.327 8.324 -8.641 768 3HD1 LEU 94 3HD1 LEU 94 -12.018 8.909 -7.005 769 1HD2 LEU 94 1HD2 LEU 94 -9.924 7.747 -7.370 770 2HD2 LEU 94 2HD2 LEU 94 -10.282 6.660 -8.710 771 3HD2 LEU 94 3HD2 LEU 94 -9.834 6.002 -7.136 772 HA PRO 95 HA PRO 95 -10.403 3.509 -1.837 773 1HB PRO 95 2HB PRO 95 -8.000 2.336 -2.271 774 2HB PRO 95 1HB PRO 95 -9.531 1.526 -2.660 775 1HG PRO 95 2HG PRO 95 -7.614 2.912 -4.468 776 2HG PRO 95 1HG PRO 95 -8.532 1.417 -4.725 777 1HD PRO 95 2HD PRO 95 -9.268 3.884 -5.745 778 2HD PRO 95 1HD PRO 95 -10.402 2.544 -5.460 779 H ILE 96 H ILE 96 -9.458 4.874 -0.325 780 HA ILE 96 HA ILE 96 -7.016 6.364 -1.131 781 HB ILE 96 HB ILE 96 -7.955 8.496 -0.426 782 1HG1 ILE 96 2HG1 ILE 96 -10.536 8.473 -0.035 783 2HG1 ILE 96 1HG1 ILE 96 -10.315 6.762 0.319 784 1HG2 ILE 96 1HG2 ILE 96 -9.354 8.868 -2.290 785 2HG2 ILE 96 2HG2 ILE 96 -10.031 7.241 -2.220 786 3HG2 ILE 96 3HG2 ILE 96 -8.377 7.483 -2.772 787 1HD1 ILE 96 1HD1 ILE 96 -9.381 7.191 2.332 788 2HD1 ILE 96 2HD1 ILE 96 -10.051 8.807 2.149 789 3HD1 ILE 96 3HD1 ILE 96 -8.377 8.492 1.702 790 H HIS 97 H HIS 97 -8.605 4.538 1.267 791 HA HIS 97 HA HIS 97 -6.687 5.654 3.294 792 1HB HIS 97 2HB HIS 97 -9.597 5.297 3.468 793 2HB HIS 97 1HB HIS 97 -8.732 4.533 4.800 794 HD1 HIS 97 1HD HIS 97 -6.425 6.499 5.204 795 HD2 HIS 97 2HD HIS 97 -10.368 7.718 4.601 796 HE1 HIS 97 1HE HIS 97 -6.610 8.835 6.170 797 HE2 HIS 97 2HE HIS 97 -9.006 9.585 5.809 798 H PHE 98 H PHE 98 -5.370 4.174 4.205 799 HA PHE 98 HA PHE 98 -5.846 1.296 3.568 800 1HB PHE 98 2HB PHE 98 -3.664 2.166 2.874 801 2HB PHE 98 1HB PHE 98 -3.357 2.764 4.502 802 HD1 PHE 98 1HD PHE 98 -4.255 -0.401 2.700 803 HD2 PHE 98 2HD PHE 98 -2.191 1.403 6.007 804 HE1 PHE 98 1HE PHE 98 -3.337 -2.615 3.336 805 HE2 PHE 98 2HE PHE 98 -1.273 -0.811 6.643 806 HZ PHE 98 HZ PHE 98 -1.846 -2.820 5.307 807 H ALA 99 H ALA 99 -7.079 0.441 5.209 808 HA ALA 99 HA ALA 99 -7.157 1.351 7.893 809 1HB ALA 99 1HB ALA 99 -8.651 -0.387 6.557 810 2HB ALA 99 2HB ALA 99 -8.513 -0.490 8.312 811 3HB ALA 99 3HB ALA 99 -7.555 -1.558 7.290 812 H GLY 100 H GLY 100 -5.664 -1.742 6.863 813 1HA GLY 100 2HA GLY 100 -3.119 -1.235 8.047 814 2HA GLY 100 1HA GLY 100 -4.127 -2.078 9.225 815 H VAL 101 H VAL 101 -2.481 -3.828 8.947 816 HA VAL 101 HA VAL 101 -2.673 -5.313 6.383 817 HB VAL 101 HB VAL 101 -0.439 -4.978 7.414 818 1HG1 VAL 101 1HG1 VAL 101 -1.408 -6.813 9.617 819 2HG1 VAL 101 2HG1 VAL 101 -1.391 -5.058 9.783 820 3HG1 VAL 101 3HG1 VAL 101 0.118 -5.934 9.533 821 1HG2 VAL 101 1HG2 VAL 101 -1.072 -7.049 6.062 822 2HG2 VAL 101 2HG2 VAL 101 -1.260 -7.888 7.601 823 3HG2 VAL 101 3HG2 VAL 101 0.313 -7.240 7.137 824 H GLY 102 H GLY 102 -3.824 -7.202 6.202 825 1HA GLY 102 2HA GLY 102 -5.026 -9.124 6.885 826 2HA GLY 102 1HA GLY 102 -4.565 -8.775 8.551 827 H SER 103 H SER 103 -7.056 -9.495 8.516 828 HA SER 103 HA SER 103 -9.052 -7.638 7.715 829 1HB SER 103 2HB SER 103 -10.488 -8.766 9.394 830 2HB SER 103 1HB SER 103 -9.591 -9.928 8.419 831 HG SER 103 HG SER 103 -7.978 -9.534 10.306 832 H CYS 104 H CYS 104 -10.144 -5.993 8.922 833 HA CYS 104 HA CYS 104 -8.396 -4.598 10.832 834 1HB CYS 104 2HB CYS 104 -10.541 -3.008 10.760 835 2HB CYS 104 1HB CYS 104 -9.378 -3.026 9.436 836 HA PRO 105 HA PRO 105 -10.433 -6.055 14.477 837 1HB PRO 105 2HB PRO 105 -10.246 -3.863 16.117 838 2HB PRO 105 1HB PRO 105 -8.865 -4.903 15.718 839 1HG PRO 105 2HG PRO 105 -9.636 -2.262 14.570 840 2HG PRO 105 1HG PRO 105 -8.030 -2.884 14.994 841 1HD PRO 105 2HD PRO 105 -8.952 -2.832 12.423 842 2HD PRO 105 1HD PRO 105 -7.814 -4.065 13.009 Start of MODEL 5 1 HN PCA 1 H PCA 1 -6.373 9.321 1.056 2 HA PCA 1 HA PCA 1 -7.815 11.416 1.689 3 1HB PCA 1 1HB PCA 1 -6.447 12.843 2.815 4 2HB PCA 1 2HB PCA 1 -5.837 13.326 1.250 5 1HG PCA 1 1HG PCA 1 -4.460 12.084 3.163 6 2HG PCA 1 2HG PCA 1 -4.079 12.053 1.427 7 H ASP 2 H ASP 2 -6.037 10.042 -0.721 8 HA ASP 2 HA ASP 2 -7.670 11.235 -2.773 9 1HB ASP 2 2HB ASP 2 -4.912 12.311 -2.311 10 2HB ASP 2 1HB ASP 2 -5.439 12.094 -3.980 11 H TRP 3 H TRP 3 -7.838 9.676 -4.319 12 HA TRP 3 HA TRP 3 -6.513 7.201 -4.151 13 1HB TRP 3 2HB TRP 3 -8.467 7.166 -5.432 14 2HB TRP 3 1HB TRP 3 -8.016 8.605 -6.339 15 HD1 TRP 3 HD TRP 3 -7.816 7.870 -8.743 16 HE1 TRP 3 1HE TRP 3 -6.592 5.995 -10.012 17 HE3 TRP 3 3HE TRP 3 -5.971 5.169 -4.802 18 HZ2 TRP 3 2HZ TRP 3 -5.048 3.665 -9.444 19 HZ3 TRP 3 3HZ TRP 3 -4.631 3.132 -5.205 20 HH2 TRP 3 HH TRP 3 -4.165 2.375 -7.520 21 H GLU 4 H GLU 4 -5.536 10.162 -5.769 22 HA GLU 4 HA GLU 4 -3.479 9.057 -7.420 23 1HB GLU 4 2HB GLU 4 -3.838 11.775 -6.142 24 2HB GLU 4 1HB GLU 4 -2.458 11.400 -7.176 25 1HG GLU 4 2HG GLU 4 -4.327 12.448 -8.445 26 2HG GLU 4 1HG GLU 4 -3.957 10.822 -9.021 27 H THR 5 H THR 5 -2.699 11.058 -4.571 28 HA THR 5 HA THR 5 -0.153 9.972 -4.138 29 HB THR 5 HB THR 5 -1.043 11.949 -2.940 30 HG1 THR 5 1HG THR 5 0.612 11.359 -1.793 31 1HG2 THR 5 1HG2 THR 5 -2.672 11.803 -1.257 32 2HG2 THR 5 2HG2 THR 5 -2.440 10.066 -1.057 33 3HG2 THR 5 3HG2 THR 5 -3.278 10.685 -2.480 34 H PHE 6 H PHE 6 -3.243 8.905 -2.682 35 HA PHE 6 HA PHE 6 -2.282 6.781 -1.125 36 1HB PHE 6 2HB PHE 6 -4.703 7.589 -1.380 37 2HB PHE 6 1HB PHE 6 -4.776 6.581 -2.824 38 HD1 PHE 6 1HD PHE 6 -3.830 6.419 0.802 39 HD2 PHE 6 2HD PHE 6 -5.338 4.317 -2.627 40 HE1 PHE 6 1HE PHE 6 -4.257 4.425 2.209 41 HE2 PHE 6 2HE PHE 6 -5.764 2.324 -1.220 42 HZ PHE 6 HZ PHE 6 -5.227 2.376 1.199 43 H GLN 7 H GLN 7 -2.400 7.126 -4.573 44 HA GLN 7 HA GLN 7 -1.913 4.244 -5.026 45 1HB GLN 7 2HB GLN 7 -3.336 5.527 -6.619 46 2HB GLN 7 1HB GLN 7 -1.956 6.551 -6.999 47 1HG GLN 7 2HG GLN 7 -1.725 3.563 -7.261 48 2HG GLN 7 1HG GLN 7 -2.480 4.509 -8.544 49 1HE2 GLN 7 1HE2 GLN 7 -0.871 6.858 -8.443 50 2HE2 GLN 7 2HE2 GLN 7 0.716 6.452 -8.887 51 H LYS 8 H LYS 8 -0.188 7.195 -4.568 52 HA LYS 8 HA LYS 8 2.266 6.182 -5.860 53 1HB LYS 8 2HB LYS 8 1.888 8.709 -4.238 54 2HB LYS 8 1HB LYS 8 3.196 8.352 -5.366 55 1HG LYS 8 2HG LYS 8 0.358 8.260 -6.358 56 2HG LYS 8 1HG LYS 8 1.135 9.825 -6.142 57 1HD LYS 8 2HD LYS 8 2.629 7.673 -7.610 58 2HD LYS 8 1HD LYS 8 1.336 8.528 -8.448 59 1HE LYS 8 2HE LYS 8 3.479 10.041 -6.959 60 2HE LYS 8 1HE LYS 8 3.732 9.500 -8.619 61 1HZ LYS 8 1HZ LYS 8 1.237 10.620 -8.623 62 2HZ LYS 8 2HZ LYS 8 2.658 11.326 -9.229 63 3HZ LYS 8 3HZ LYS 8 2.148 11.662 -7.644 64 H LYS 9 H LYS 9 1.309 7.160 -2.532 65 HA LYS 9 HA LYS 9 3.822 6.071 -1.485 66 1HB LYS 9 2HB LYS 9 2.661 6.678 0.758 67 2HB LYS 9 1HB LYS 9 3.136 7.985 -0.326 68 1HG LYS 9 2HG LYS 9 0.934 8.376 -1.036 69 2HG LYS 9 1HG LYS 9 0.385 6.778 -0.532 70 1HD LYS 9 2HD LYS 9 0.463 7.369 1.780 71 2HD LYS 9 1HD LYS 9 1.370 8.844 1.443 72 1HE LYS 9 2HE LYS 9 -0.502 9.946 0.553 73 2HE LYS 9 1HE LYS 9 -1.359 8.437 0.237 74 1HZ LYS 9 1HZ LYS 9 -1.811 9.997 2.354 75 2HZ LYS 9 2HZ LYS 9 -0.677 8.916 3.009 76 3HZ LYS 9 3HZ LYS 9 -2.118 8.329 2.327 77 H HIS 10 H HIS 10 0.352 5.165 -1.172 78 HA HIS 10 HA HIS 10 1.082 2.831 0.440 79 1HB HIS 10 2HB HIS 10 -1.527 3.799 -0.728 80 2HB HIS 10 1HB HIS 10 -1.389 2.267 0.131 81 HD1 HIS 10 1HD HIS 10 -0.792 2.369 2.681 82 HD2 HIS 10 2HD HIS 10 -1.379 6.104 0.917 83 HE1 HIS 10 1HE HIS 10 -1.004 4.035 4.579 84 HE2 HIS 10 2HE HIS 10 -1.362 6.309 3.517 85 H LEU 11 H LEU 11 1.056 3.425 -2.920 86 HA LEU 11 HA LEU 11 0.985 0.458 -3.405 87 1HB LEU 11 2HB LEU 11 -0.414 2.684 -4.795 88 2HB LEU 11 1HB LEU 11 0.286 1.451 -5.833 89 HG LEU 11 HG LEU 11 -0.902 -0.285 -4.469 90 1HD1 LEU 11 1HD1 LEU 11 -1.897 2.206 -3.101 91 2HD1 LEU 11 2HD1 LEU 11 -1.371 0.684 -2.392 92 3HD1 LEU 11 3HD1 LEU 11 -2.936 0.784 -3.188 93 1HD2 LEU 11 1HD2 LEU 11 -2.550 1.874 -5.808 94 2HD2 LEU 11 2HD2 LEU 11 -3.168 0.274 -5.395 95 3HD2 LEU 11 3HD2 LEU 11 -1.863 0.439 -6.570 96 H THR 12 H THR 12 2.381 -0.292 -5.104 97 HA THR 12 HA THR 12 4.395 1.683 -6.079 98 HB THR 12 HB THR 12 5.513 0.697 -4.192 99 HG1 THR 12 1HG THR 12 6.760 0.824 -6.059 100 1HG2 THR 12 1HG2 THR 12 4.971 -1.351 -3.431 101 2HG2 THR 12 2HG2 THR 12 5.589 -2.080 -4.909 102 3HG2 THR 12 3HG2 THR 12 3.903 -1.576 -4.814 103 H ASP 13 H ASP 13 6.002 -0.007 -7.540 104 HA ASP 13 HA ASP 13 4.049 -1.307 -9.408 105 1HB ASP 13 2HB ASP 13 6.575 0.249 -10.005 106 2HB ASP 13 1HB ASP 13 5.689 -0.686 -11.211 107 H THR 14 H THR 14 6.011 -2.363 -7.160 108 HA THR 14 HA THR 14 6.764 -4.732 -8.725 109 HB THR 14 HB THR 14 8.670 -3.179 -9.112 110 HG1 THR 14 1HG THR 14 8.730 -5.638 -8.381 111 1HG2 THR 14 1HG2 THR 14 10.065 -2.479 -7.261 112 2HG2 THR 14 2HG2 THR 14 9.082 -3.396 -6.120 113 3HG2 THR 14 3HG2 THR 14 8.409 -1.979 -6.923 114 H LYS 15 H LYS 15 7.287 -6.532 -7.376 115 HA LYS 15 HA LYS 15 6.056 -6.451 -4.754 116 1HB LYS 15 2HB LYS 15 7.788 -8.597 -6.026 117 2HB LYS 15 1HB LYS 15 6.770 -8.806 -4.601 118 1HG LYS 15 2HG LYS 15 4.767 -8.464 -5.864 119 2HG LYS 15 1HG LYS 15 5.672 -7.893 -7.268 120 1HD LYS 15 2HD LYS 15 6.690 -10.122 -7.529 121 2HD LYS 15 1HD LYS 15 5.797 -10.699 -6.121 122 1HE LYS 15 2HE LYS 15 3.675 -9.965 -7.365 123 2HE LYS 15 1HE LYS 15 4.695 -9.828 -8.797 124 1HZ LYS 15 1HZ LYS 15 4.478 -11.999 -9.072 125 2HZ LYS 15 2HZ LYS 15 3.596 -12.146 -7.628 126 3HZ LYS 15 3HZ LYS 15 5.291 -12.263 -7.608 127 H LYS 16 H LYS 16 9.268 -5.993 -5.973 128 HA LYS 16 HA LYS 16 10.331 -5.985 -3.171 129 1HB LYS 16 2HB LYS 16 12.590 -6.213 -4.370 130 2HB LYS 16 1HB LYS 16 11.546 -7.634 -4.388 131 1HG LYS 16 2HG LYS 16 10.718 -6.986 -6.632 132 2HG LYS 16 1HG LYS 16 11.797 -5.593 -6.620 133 1HD LYS 16 2HD LYS 16 12.928 -8.340 -6.145 134 2HD LYS 16 1HD LYS 16 12.562 -7.825 -7.791 135 1HE LYS 16 2HE LYS 16 14.359 -6.351 -5.841 136 2HE LYS 16 1HE LYS 16 14.899 -7.302 -7.224 137 1HZ LYS 16 1HZ LYS 16 13.454 -4.735 -7.195 138 2HZ LYS 16 2HZ LYS 16 13.349 -5.760 -8.546 139 3HZ LYS 16 3HZ LYS 16 14.858 -5.160 -8.045 140 H VAL 17 H VAL 17 9.185 -3.728 -3.426 141 HA VAL 17 HA VAL 17 10.170 -1.668 -5.057 142 HB VAL 17 HB VAL 17 9.472 -0.108 -3.289 143 1HG1 VAL 17 1HG1 VAL 17 7.184 -0.698 -3.288 144 2HG1 VAL 17 2HG1 VAL 17 7.550 -2.423 -3.302 145 3HG1 VAL 17 3HG1 VAL 17 7.836 -1.453 -4.742 146 1HG2 VAL 17 1HG2 VAL 17 10.312 -1.149 -1.306 147 2HG2 VAL 17 2HG2 VAL 17 9.435 -2.644 -1.633 148 3HG2 VAL 17 3HG2 VAL 17 8.555 -1.192 -1.156 149 H LYS 18 H LYS 18 11.519 0.205 -4.229 150 HA LYS 18 HA LYS 18 14.044 -0.907 -3.123 151 1HB LYS 18 2HB LYS 18 14.922 1.410 -3.881 152 2HB LYS 18 1HB LYS 18 14.489 0.259 -5.144 153 1HG LYS 18 2HG LYS 18 12.299 1.316 -5.408 154 2HG LYS 18 1HG LYS 18 12.649 2.420 -4.080 155 1HD LYS 18 2HD LYS 18 13.169 3.722 -5.961 156 2HD LYS 18 1HD LYS 18 14.744 3.081 -5.497 157 1HE LYS 18 2HE LYS 18 14.591 1.336 -7.181 158 2HE LYS 18 1HE LYS 18 12.937 1.806 -7.572 159 1HZ LYS 18 1HZ LYS 18 14.218 2.835 -9.190 160 2HZ LYS 18 2HZ LYS 18 15.445 3.271 -8.100 161 3HZ LYS 18 3HZ LYS 18 13.949 4.077 -8.067 162 H CYS 19 H CYS 19 12.634 -0.907 -1.071 163 HA CYS 19 HA CYS 19 11.592 1.087 0.384 164 1HB CYS 19 2HB CYS 19 13.627 -0.956 1.263 165 2HB CYS 19 1HB CYS 19 12.856 0.139 2.410 166 H ASP 20 H ASP 20 15.103 0.790 -0.166 167 HA ASP 20 HA ASP 20 16.076 2.765 1.541 168 1HB ASP 20 2HB ASP 20 17.606 1.477 0.189 169 2HB ASP 20 1HB ASP 20 16.913 2.123 -1.299 170 H VAL 21 H VAL 21 14.488 3.186 -1.588 171 HA VAL 21 HA VAL 21 14.539 6.143 -1.183 172 HB VAL 21 HB VAL 21 13.513 4.845 -3.680 173 1HG1 VAL 21 1HG1 VAL 21 13.577 7.369 -3.161 174 2HG1 VAL 21 2HG1 VAL 21 14.253 6.854 -4.705 175 3HG1 VAL 21 3HG1 VAL 21 15.324 7.240 -3.359 176 1HG2 VAL 21 1HG2 VAL 21 16.416 5.048 -2.847 177 2HG2 VAL 21 2HG2 VAL 21 15.910 4.867 -4.525 178 3HG2 VAL 21 3HG2 VAL 21 15.544 3.601 -3.353 179 H GLU 22 H GLU 22 12.423 3.341 -1.603 180 HA GLU 22 HA GLU 22 9.942 4.690 -1.865 181 1HB GLU 22 2HB GLU 22 10.767 2.032 -1.545 182 2HB GLU 22 1HB GLU 22 9.758 2.342 -0.132 183 1HG GLU 22 2HG GLU 22 8.277 1.574 -1.847 184 2HG GLU 22 1HG GLU 22 8.032 3.318 -1.737 185 H MET 23 H MET 23 12.193 4.892 0.553 186 HA MET 23 HA MET 23 10.170 5.907 2.516 187 1HB MET 23 2HB MET 23 12.703 4.324 3.041 188 2HB MET 23 1HB MET 23 11.808 5.176 4.297 189 1HG MET 23 2HG MET 23 9.752 3.833 3.406 190 2HG MET 23 1HG MET 23 10.967 2.787 2.672 191 1HE MET 23 1HE MET 23 11.225 4.612 6.465 192 2HE MET 23 2HE MET 23 9.901 3.569 6.972 193 3HE MET 23 3HE MET 23 9.704 4.603 5.562 194 H ALA 24 H ALA 24 13.601 6.026 1.514 195 HA ALA 24 HA ALA 24 14.134 8.492 2.908 196 1HB ALA 24 1HB ALA 24 15.872 6.830 2.124 197 2HB ALA 24 2HB ALA 24 16.228 8.508 1.714 198 3HB ALA 24 3HB ALA 24 15.594 7.415 0.483 199 H LYS 25 H LYS 25 12.013 7.992 0.509 200 HA LYS 25 HA LYS 25 12.519 9.854 -1.533 201 1HB LYS 25 2HB LYS 25 10.058 8.779 -0.224 202 2HB LYS 25 1HB LYS 25 9.858 10.212 -1.226 203 1HG LYS 25 2HG LYS 25 10.246 9.077 -3.165 204 2HG LYS 25 1HG LYS 25 11.521 8.094 -2.455 205 1HD LYS 25 2HD LYS 25 9.727 6.601 -2.962 206 2HD LYS 25 1HD LYS 25 9.698 6.828 -1.212 207 1HE LYS 25 2HE LYS 25 7.426 7.036 -2.000 208 2HE LYS 25 1HE LYS 25 7.985 8.653 -1.572 209 1HZ LYS 25 1HZ LYS 25 7.408 7.517 -4.192 210 2HZ LYS 25 2HZ LYS 25 8.730 8.581 -4.100 211 3HZ LYS 25 3HZ LYS 25 7.183 9.098 -3.622 212 H ALA 26 H ALA 26 10.727 11.901 -1.503 213 HA ALA 26 HA ALA 26 11.773 13.641 0.677 214 1HB ALA 26 1HB ALA 26 12.075 14.426 -1.649 215 2HB ALA 26 2HB ALA 26 11.007 15.503 -0.748 216 3HB ALA 26 3HB ALA 26 10.331 14.350 -1.898 217 H LEU 27 H LEU 27 8.998 11.885 -0.204 218 HA LEU 27 HA LEU 27 7.170 13.716 1.267 219 1HB LEU 27 2HB LEU 27 5.388 12.583 0.250 220 2HB LEU 27 1HB LEU 27 6.630 12.524 -0.995 221 HG LEU 27 HG LEU 27 7.298 10.255 0.181 222 1HD1 LEU 27 1HD1 LEU 27 4.753 10.951 1.481 223 2HD1 LEU 27 2HD1 LEU 27 5.940 9.728 1.919 224 3HD1 LEU 27 3HD1 LEU 27 4.714 9.368 0.711 225 1HD2 LEU 27 1HD2 LEU 27 6.525 10.408 -2.123 226 2HD2 LEU 27 2HD2 LEU 27 4.857 10.609 -1.586 227 3HD2 LEU 27 3HD2 LEU 27 5.687 9.074 -1.331 228 H PHE 28 H PHE 28 9.272 11.274 1.986 229 HA PHE 28 HA PHE 28 7.599 10.337 4.296 230 1HB PHE 28 2HB PHE 28 9.542 8.912 2.513 231 2HB PHE 28 1HB PHE 28 9.418 8.399 4.192 232 HD1 PHE 28 1HD PHE 28 8.173 7.796 0.992 233 HD2 PHE 28 2HD PHE 28 6.839 8.279 5.049 234 HE1 PHE 28 1HE PHE 28 6.106 6.532 0.464 235 HE2 PHE 28 2HE PHE 28 4.772 7.017 4.518 236 HZ PHE 28 HZ PHE 28 4.405 6.144 2.226 237 H ASP 29 H ASP 29 10.848 11.289 3.217 238 HA ASP 29 HA ASP 29 12.535 12.387 4.433 239 1HB ASP 29 2HB ASP 29 10.943 12.210 6.976 240 2HB ASP 29 1HB ASP 29 12.021 13.488 6.419 241 H CYS 30 H CYS 30 12.373 9.522 4.130 242 HA CYS 30 HA CYS 30 13.356 7.566 4.971 243 1HB CYS 30 2HB CYS 30 15.373 8.913 4.837 244 2HB CYS 30 1HB CYS 30 15.010 9.680 6.381 245 H LYS 31 H LYS 31 11.143 7.407 6.194 246 HA LYS 31 HA LYS 31 11.122 7.974 9.035 247 1HB LYS 31 2HB LYS 31 9.469 5.885 7.593 248 2HB LYS 31 1HB LYS 31 9.072 6.699 9.098 249 1HG LYS 31 2HG LYS 31 9.318 8.026 6.386 250 2HG LYS 31 1HG LYS 31 7.804 7.645 7.197 251 1HD LYS 31 2HD LYS 31 9.919 9.625 8.087 252 2HD LYS 31 1HD LYS 31 8.266 9.972 7.591 253 1HE LYS 31 2HE LYS 31 7.600 8.392 9.567 254 2HE LYS 31 1HE LYS 31 9.233 8.721 10.147 255 1HZ LYS 31 1HZ LYS 31 6.931 10.430 10.101 256 2HZ LYS 31 2HZ LYS 31 8.311 11.167 9.439 257 3HZ LYS 31 3HZ LYS 31 8.350 10.550 11.021 258 H LYS 32 H LYS 32 10.053 5.102 9.494 259 HA LYS 32 HA LYS 32 12.689 3.703 9.645 260 1HB LYS 32 2HB LYS 32 12.318 3.056 11.916 261 2HB LYS 32 1HB LYS 32 12.021 4.791 11.845 262 1HG LYS 32 2HG LYS 32 10.062 4.278 12.894 263 2HG LYS 32 1HG LYS 32 9.519 3.812 11.286 264 1HD LYS 32 2HD LYS 32 9.014 1.906 12.550 265 2HD LYS 32 1HD LYS 32 10.588 1.491 11.874 266 1HE LYS 32 2HE LYS 32 11.690 2.220 13.948 267 2HE LYS 32 1HE LYS 32 10.131 2.695 14.622 268 1HZ LYS 32 1HZ LYS 32 9.425 0.499 14.740 269 2HZ LYS 32 2HZ LYS 32 11.049 0.413 15.231 270 3HZ LYS 32 3HZ LYS 32 10.609 -0.054 13.659 271 H THR 33 H THR 33 9.230 3.561 9.250 272 HA THR 33 HA THR 33 9.503 0.739 8.338 273 HB THR 33 HB THR 33 8.613 0.662 10.654 274 HG1 THR 33 1HG THR 33 7.761 -0.595 8.702 275 1HG2 THR 33 1HG2 THR 33 7.536 3.001 10.373 276 2HG2 THR 33 2HG2 THR 33 6.649 1.796 11.305 277 3HG2 THR 33 3HG2 THR 33 6.188 2.134 9.637 278 H ASN 34 H ASN 34 7.892 0.183 6.718 279 HA ASN 34 HA ASN 34 5.985 2.248 5.875 280 1HB ASN 34 2HB ASN 34 8.358 2.789 4.929 281 2HB ASN 34 1HB ASN 34 8.050 1.437 3.842 282 1HD2 ASN 34 1HD2 ASN 34 8.025 4.606 3.589 283 2HD2 ASN 34 2HD2 ASN 34 6.611 4.882 2.692 284 H THR 35 H THR 35 4.488 1.456 4.314 285 HA THR 35 HA THR 35 4.772 -1.395 3.508 286 HB THR 35 HB THR 35 2.339 -0.214 4.883 287 HG1 THR 35 1HG THR 35 4.507 -1.249 5.874 288 1HG2 THR 35 1HG2 THR 35 1.593 -1.760 3.211 289 2HG2 THR 35 2HG2 THR 35 1.555 -2.627 4.746 290 3HG2 THR 35 3HG2 THR 35 2.874 -2.904 3.609 291 H PHE 36 H PHE 36 3.506 -1.926 1.631 292 HA PHE 36 HA PHE 36 1.949 0.239 0.354 293 1HB PHE 36 2HB PHE 36 3.955 -0.977 -1.475 294 2HB PHE 36 1HB PHE 36 3.302 0.652 -1.461 295 HD1 PHE 36 1HD PHE 36 4.738 2.377 -0.851 296 HD2 PHE 36 2HD PHE 36 5.433 -1.565 0.685 297 HE1 PHE 36 1HE PHE 36 6.809 3.173 0.253 298 HE2 PHE 36 2HE PHE 36 7.498 -0.776 1.794 299 HZ PHE 36 HZ PHE 36 8.193 1.595 1.571 300 H ILE 37 H ILE 37 1.175 -0.737 -1.932 301 HA ILE 37 HA ILE 37 0.592 -3.641 -1.490 302 HB ILE 37 HB ILE 37 -1.268 -1.580 -2.688 303 1HG1 ILE 37 2HG1 ILE 37 -1.773 -2.931 -0.054 304 2HG1 ILE 37 1HG1 ILE 37 -0.665 -1.565 -0.085 305 1HG2 ILE 37 1HG2 ILE 37 -1.591 -4.493 -1.931 306 2HG2 ILE 37 2HG2 ILE 37 -1.698 -3.796 -3.547 307 3HG2 ILE 37 3HG2 ILE 37 -2.938 -3.434 -2.347 308 1HD1 ILE 37 1HD1 ILE 37 -2.324 -0.060 -0.457 309 2HD1 ILE 37 2HD1 ILE 37 -3.369 -1.327 0.180 310 3HD1 ILE 37 3HD1 ILE 37 -3.190 -1.128 -1.562 311 H TYR 38 H TYR 38 1.027 -4.958 -3.194 312 HA TYR 38 HA TYR 38 2.029 -3.660 -5.679 313 1HB TYR 38 2HB TYR 38 3.422 -5.426 -4.670 314 2HB TYR 38 1HB TYR 38 2.081 -6.563 -4.801 315 HD1 TYR 38 1HD TYR 38 3.883 -4.105 -6.999 316 HD2 TYR 38 2HD TYR 38 2.107 -8.000 -6.631 317 HE1 TYR 38 1HE TYR 38 4.534 -4.623 -9.335 318 HE2 TYR 38 2HE TYR 38 2.762 -8.518 -8.965 319 HH TYR 38 HH TYR 38 3.269 -7.183 -11.070 320 H ALA 39 H ALA 39 0.198 -3.090 -6.862 321 HA ALA 39 HA ALA 39 -1.331 -5.327 -8.020 322 1HB ALA 39 1HB ALA 39 -2.685 -4.824 -6.059 323 2HB ALA 39 2HB ALA 39 -3.521 -4.230 -7.494 324 3HB ALA 39 3HB ALA 39 -2.662 -3.103 -6.445 325 H LEU 40 H LEU 40 -2.374 -4.708 -10.007 326 HA LEU 40 HA LEU 40 -1.133 -2.352 -11.239 327 1HB LEU 40 2HB LEU 40 -1.501 -3.394 -13.241 328 2HB LEU 40 1HB LEU 40 -1.665 -4.808 -12.209 329 HG LEU 40 HG LEU 40 -4.217 -3.993 -12.120 330 1HD1 LEU 40 1HD1 LEU 40 -3.528 -1.994 -13.597 331 2HD1 LEU 40 2HD1 LEU 40 -4.933 -2.917 -14.117 332 3HD1 LEU 40 3HD1 LEU 40 -3.375 -3.164 -14.902 333 1HD2 LEU 40 1HD2 LEU 40 -2.904 -5.492 -14.406 334 2HD2 LEU 40 2HD2 LEU 40 -4.635 -5.506 -14.069 335 3HD2 LEU 40 3HD2 LEU 40 -3.503 -6.190 -12.901 336 HA PRO 41 HA PRO 41 -4.185 0.741 -10.594 337 1HB PRO 41 2HB PRO 41 -4.417 0.911 -13.565 338 2HB PRO 41 1HB PRO 41 -4.113 2.195 -12.382 339 1HG PRO 41 2HG PRO 41 -2.196 1.038 -13.965 340 2HG PRO 41 1HG PRO 41 -1.879 1.881 -12.442 341 1HD PRO 41 2HD PRO 41 -1.578 -0.948 -13.021 342 2HD PRO 41 1HD PRO 41 -1.152 -0.073 -11.536 343 H GLY 42 H GLY 42 -5.069 -1.168 -13.500 344 1HA GLY 42 2HA GLY 42 -7.846 -0.854 -13.344 345 2HA GLY 42 1HA GLY 42 -7.079 -2.296 -14.004 346 H ARG 43 H ARG 43 -5.885 -3.372 -11.747 347 HA ARG 43 HA ARG 43 -8.066 -4.697 -10.480 348 1HB ARG 43 2HB ARG 43 -5.796 -5.670 -10.698 349 2HB ARG 43 1HB ARG 43 -5.193 -4.483 -9.540 350 1HG ARG 43 2HG ARG 43 -6.428 -5.413 -7.757 351 2HG ARG 43 1HG ARG 43 -7.512 -6.283 -8.843 352 1HD ARG 43 2HD ARG 43 -4.552 -6.882 -8.722 353 2HD ARG 43 1HD ARG 43 -5.714 -7.684 -7.665 354 HE ARG 43 HE ARG 43 -6.417 -7.805 -10.505 355 1HH1 ARG 43 1HH2 ARG 43 -4.716 -9.195 -7.847 356 2HH1 ARG 43 2HH2 ARG 43 -4.697 -10.789 -8.522 357 1HH2 ARG 43 1HH1 ARG 43 -6.401 -9.880 -11.400 358 2HH2 ARG 43 2HH1 ARG 43 -5.650 -11.177 -10.534 359 H VAL 44 H VAL 44 -6.205 -1.833 -9.576 360 HA VAL 44 HA VAL 44 -7.269 -1.777 -6.859 361 HB VAL 44 HB VAL 44 -5.955 0.456 -8.437 362 1HG1 VAL 44 1HG1 VAL 44 -5.294 1.060 -5.987 363 2HG1 VAL 44 2HG1 VAL 44 -6.634 0.009 -5.533 364 3HG1 VAL 44 3HG1 VAL 44 -6.930 1.432 -6.531 365 1HG2 VAL 44 1HG2 VAL 44 -4.633 -1.725 -8.220 366 2HG2 VAL 44 2HG2 VAL 44 -4.642 -1.446 -6.479 367 3HG2 VAL 44 3HG2 VAL 44 -3.858 -0.288 -7.553 368 H LYS 45 H LYS 45 -7.736 0.359 -9.700 369 HA LYS 45 HA LYS 45 -9.963 1.767 -8.613 370 1HB LYS 45 2HB LYS 45 -9.601 1.152 -11.554 371 2HB LYS 45 1HB LYS 45 -10.337 2.580 -10.826 372 1HG LYS 45 2HG LYS 45 -8.195 3.332 -9.986 373 2HG LYS 45 1HG LYS 45 -7.417 1.835 -10.490 374 1HD LYS 45 2HD LYS 45 -7.667 2.348 -12.795 375 2HD LYS 45 1HD LYS 45 -8.823 3.638 -12.461 376 1HE LYS 45 2HE LYS 45 -7.077 4.972 -11.391 377 2HE LYS 45 1HE LYS 45 -5.911 3.668 -11.615 378 1HZ LYS 45 1HZ LYS 45 -5.450 4.615 -13.555 379 2HZ LYS 45 2HZ LYS 45 -6.797 5.647 -13.473 380 3HZ LYS 45 3HZ LYS 45 -6.963 4.077 -14.100 381 H ALA 46 H ALA 46 -9.619 -1.409 -9.865 382 HA ALA 46 HA ALA 46 -12.403 -1.832 -10.586 383 1HB ALA 46 1HB ALA 46 -11.642 -4.292 -10.471 384 2HB ALA 46 2HB ALA 46 -10.037 -3.654 -10.126 385 3HB ALA 46 3HB ALA 46 -10.830 -3.266 -11.653 386 H LEU 47 H LEU 47 -10.382 -2.503 -7.738 387 HA LEU 47 HA LEU 47 -12.340 -3.976 -6.271 388 1HB LEU 47 2HB LEU 47 -9.950 -2.321 -5.460 389 2HB LEU 47 1HB LEU 47 -10.986 -3.076 -4.249 390 HG LEU 47 HG LEU 47 -9.959 -4.746 -6.529 391 1HD1 LEU 47 1HD1 LEU 47 -8.392 -3.834 -4.108 392 2HD1 LEU 47 2HD1 LEU 47 -7.909 -3.770 -5.803 393 3HD1 LEU 47 3HD1 LEU 47 -8.006 -5.322 -4.972 394 1HD2 LEU 47 1HD2 LEU 47 -11.599 -5.707 -4.973 395 2HD2 LEU 47 2HD2 LEU 47 -10.580 -5.270 -3.602 396 3HD2 LEU 47 3HD2 LEU 47 -10.036 -6.491 -4.752 397 H CYS 48 H CYS 48 -12.182 -0.643 -7.091 398 HA CYS 48 HA CYS 48 -14.280 -0.031 -5.036 399 1HB CYS 48 2HB CYS 48 -12.097 1.681 -6.228 400 2HB CYS 48 1HB CYS 48 -13.526 2.404 -5.496 401 H LYS 49 H LYS 49 -14.430 -1.132 -7.880 402 HA LYS 49 HA LYS 49 -15.720 1.077 -9.341 403 1HB LYS 49 2HB LYS 49 -14.629 -1.550 -9.972 404 2HB LYS 49 1HB LYS 49 -16.225 -1.341 -10.688 405 1HG LYS 49 2HG LYS 49 -15.486 0.810 -11.680 406 2HG LYS 49 1HG LYS 49 -13.883 0.565 -10.987 407 1HD LYS 49 2HD LYS 49 -13.543 -0.306 -13.112 408 2HD LYS 49 1HD LYS 49 -14.049 -1.763 -12.258 409 1HE LYS 49 2HE LYS 49 -15.317 -1.649 -14.309 410 2HE LYS 49 1HE LYS 49 -16.418 -1.259 -12.988 411 1HZ LYS 49 1HZ LYS 49 -16.867 0.565 -14.160 412 2HZ LYS 49 2HZ LYS 49 -15.506 0.384 -15.159 413 3HZ LYS 49 3HZ LYS 49 -15.358 1.144 -13.647 414 H ASN 50 H ASN 50 -17.801 1.579 -8.923 415 HA ASN 50 HA ASN 50 -20.047 1.361 -8.287 416 1HB ASN 50 2HB ASN 50 -19.790 -1.506 -9.213 417 2HB ASN 50 1HB ASN 50 -21.224 -0.478 -9.243 418 1HD2 ASN 50 1HD2 ASN 50 -19.790 -1.838 -11.543 419 2HD2 ASN 50 2HD2 ASN 50 -19.409 -0.585 -12.623 420 H ILE 51 H ILE 51 -18.616 1.252 -6.057 421 HA ILE 51 HA ILE 51 -19.433 -1.221 -4.600 422 HB ILE 51 HB ILE 51 -17.786 -0.171 -2.869 423 1HG1 ILE 51 2HG1 ILE 51 -16.614 1.073 -5.350 424 2HG1 ILE 51 1HG1 ILE 51 -17.739 1.980 -4.340 425 1HG2 ILE 51 1HG2 ILE 51 -15.905 -1.300 -3.939 426 2HG2 ILE 51 2HG2 ILE 51 -16.738 -1.253 -5.493 427 3HG2 ILE 51 3HG2 ILE 51 -17.379 -2.239 -4.178 428 1HD1 ILE 51 1HD1 ILE 51 -15.175 2.156 -3.846 429 2HD1 ILE 51 2HD1 ILE 51 -15.389 0.583 -3.080 430 3HD1 ILE 51 3HD1 ILE 51 -16.294 1.979 -2.496 431 H ARG 52 H ARG 52 -18.575 1.423 -2.683 432 HA ARG 52 HA ARG 52 -21.346 2.448 -2.431 433 1HB ARG 52 2HB ARG 52 -19.799 1.173 -0.152 434 2HB ARG 52 1HB ARG 52 -21.281 2.109 0.049 435 1HG ARG 52 2HG ARG 52 -22.332 0.480 -1.651 436 2HG ARG 52 1HG ARG 52 -20.921 -0.538 -1.360 437 1HD ARG 52 2HD ARG 52 -22.851 0.452 0.760 438 2HD ARG 52 1HD ARG 52 -22.777 -1.191 0.120 439 HE ARG 52 HE ARG 52 -20.194 -0.506 1.099 440 1HH1 ARG 52 1HH2 ARG 52 -23.429 -1.065 2.149 441 2HH1 ARG 52 2HH2 ARG 52 -22.963 -1.654 3.710 442 1HH2 ARG 52 1HH1 ARG 52 -19.565 -1.272 3.131 443 2HH2 ARG 52 2HH1 ARG 52 -20.775 -1.770 4.266 444 H ASP 53 H ASP 53 -20.867 3.877 -0.017 445 HA ASP 53 HA ASP 53 -19.070 5.989 -1.053 446 1HB ASP 53 2HB ASP 53 -20.030 7.375 0.693 447 2HB ASP 53 1HB ASP 53 -21.338 6.529 -0.133 448 H ASN 54 H ASN 54 -18.530 6.999 1.606 449 HA ASN 54 HA ASN 54 -15.985 5.769 2.054 450 1HB ASN 54 2HB ASN 54 -17.525 7.419 4.072 451 2HB ASN 54 1HB ASN 54 -15.775 7.251 3.928 452 1HD2 ASN 54 1HD2 ASN 54 -18.578 8.311 1.907 453 2HD2 ASN 54 2HD2 ASN 54 -17.736 9.576 1.150 454 H THR 55 H THR 55 -15.829 3.705 2.735 455 HA THR 55 HA THR 55 -16.943 2.960 5.332 456 HB THR 55 HB THR 55 -17.673 1.102 3.085 457 HG1 THR 55 1HG THR 55 -19.595 2.892 3.950 458 1HG2 THR 55 1HG2 THR 55 -18.959 1.764 5.748 459 2HG2 THR 55 2HG2 THR 55 -17.882 0.399 5.451 460 3HG2 THR 55 3HG2 THR 55 -19.452 0.475 4.651 461 H ASP 56 H ASP 56 -16.151 0.687 5.904 462 HA ASP 56 HA ASP 56 -13.387 0.405 4.894 463 1HB ASP 56 2HB ASP 56 -13.819 0.347 7.333 464 2HB ASP 56 1HB ASP 56 -14.829 -1.082 7.110 465 H VAL 57 H VAL 57 -12.581 -1.557 4.003 466 HA VAL 57 HA VAL 57 -14.612 -3.606 3.249 467 HB VAL 57 HB VAL 57 -13.933 -3.629 0.963 468 1HG1 VAL 57 1HG1 VAL 57 -14.004 -0.711 1.781 469 2HG1 VAL 57 2HG1 VAL 57 -15.432 -1.739 1.659 470 3HG1 VAL 57 3HG1 VAL 57 -14.476 -1.383 0.220 471 1HG2 VAL 57 1HG2 VAL 57 -11.565 -3.421 1.099 472 2HG2 VAL 57 2HG2 VAL 57 -11.675 -1.869 1.926 473 3HG2 VAL 57 3HG2 VAL 57 -12.096 -1.988 0.219 474 H LEU 58 H LEU 58 -13.482 -5.622 2.418 475 HA LEU 58 HA LEU 58 -10.779 -5.980 3.648 476 1HB LEU 58 2HB LEU 58 -13.154 -6.928 4.751 477 2HB LEU 58 1HB LEU 58 -12.569 -8.318 3.845 478 HG LEU 58 HG LEU 58 -11.744 -8.316 6.179 479 1HD1 LEU 58 1HD1 LEU 58 -9.391 -7.725 4.396 480 2HD1 LEU 58 2HD1 LEU 58 -10.404 -9.143 4.119 481 3HD1 LEU 58 3HD1 LEU 58 -9.553 -8.955 5.649 482 1HD2 LEU 58 1HD2 LEU 58 -9.818 -6.129 5.745 483 2HD2 LEU 58 2HD2 LEU 58 -10.784 -6.512 7.169 484 3HD2 LEU 58 3HD2 LEU 58 -11.492 -5.584 5.848 485 H SER 59 H SER 59 -9.375 -7.098 2.281 486 HA SER 59 HA SER 59 -10.094 -7.638 -0.398 487 1HB SER 59 2HB SER 59 -7.756 -7.994 1.225 488 2HB SER 59 1HB SER 59 -8.012 -9.453 0.273 489 HG SER 59 HG SER 59 -7.746 -6.775 -0.603 490 H ARG 60 H ARG 60 -10.438 -9.704 -1.490 491 HA ARG 60 HA ARG 60 -12.251 -11.404 0.049 492 1HB ARG 60 2HB ARG 60 -11.322 -11.621 -2.827 493 2HB ARG 60 1HB ARG 60 -12.659 -12.517 -2.105 494 1HG ARG 60 2HG ARG 60 -13.767 -10.342 -1.563 495 2HG ARG 60 1HG ARG 60 -12.471 -9.508 -2.422 496 1HD ARG 60 2HD ARG 60 -13.051 -10.644 -4.496 497 2HD ARG 60 1HD ARG 60 -14.262 -11.618 -3.660 498 HE ARG 60 HE ARG 60 -15.721 -9.752 -3.698 499 1HH1 ARG 60 1HH2 ARG 60 -12.469 -8.914 -4.478 500 2HH1 ARG 60 2HH2 ARG 60 -12.862 -7.299 -4.967 501 1HH2 ARG 60 1HH1 ARG 60 -16.254 -7.649 -4.333 502 2HH2 ARG 60 2HH1 ARG 60 -15.004 -6.584 -4.885 503 H ASP 61 H ASP 61 -8.942 -11.443 -0.159 504 HA ASP 61 HA ASP 61 -8.799 -14.143 0.859 505 1HB ASP 61 2HB ASP 61 -9.112 -14.729 -1.497 506 2HB ASP 61 1HB ASP 61 -7.779 -13.671 -1.957 507 H ALA 62 H ALA 62 -6.300 -12.848 -1.254 508 HA ALA 62 HA ALA 62 -4.849 -11.742 1.079 509 1HB ALA 62 1HB ALA 62 -2.938 -13.140 0.817 510 2HB ALA 62 2HB ALA 62 -3.534 -13.793 -0.707 511 3HB ALA 62 3HB ALA 62 -4.321 -14.232 0.810 512 H PHE 63 H PHE 63 -2.804 -10.643 0.360 513 HA PHE 63 HA PHE 63 -2.695 -9.936 -2.509 514 1HB PHE 63 2HB PHE 63 -3.627 -8.117 -0.336 515 2HB PHE 63 1HB PHE 63 -2.499 -7.427 -1.502 516 HD1 PHE 63 1HD PHE 63 -3.179 -6.900 -3.722 517 HD2 PHE 63 2HD PHE 63 -5.757 -9.199 -1.170 518 HE1 PHE 63 1HE PHE 63 -5.016 -6.669 -5.371 519 HE2 PHE 63 2HE PHE 63 -7.595 -8.968 -2.820 520 HZ PHE 63 HZ PHE 63 -7.224 -7.703 -4.920 521 H LEU 64 H LEU 64 -0.593 -9.656 -3.112 522 HA LEU 64 HA LEU 64 1.496 -10.005 -1.098 523 1HB LEU 64 2HB LEU 64 1.457 -10.940 -3.508 524 2HB LEU 64 1HB LEU 64 1.925 -9.319 -4.010 525 HG LEU 64 HG LEU 64 3.446 -10.888 -1.912 526 1HD1 LEU 64 1HD1 LEU 64 3.626 -12.204 -3.897 527 2HD1 LEU 64 2HD1 LEU 64 5.099 -11.237 -3.828 528 3HD1 LEU 64 3HD1 LEU 64 3.790 -10.773 -4.915 529 1HD2 LEU 64 1HD2 LEU 64 4.080 -8.640 -1.715 530 2HD2 LEU 64 2HD2 LEU 64 3.860 -8.319 -3.435 531 3HD2 LEU 64 3HD2 LEU 64 5.257 -9.239 -2.879 532 H LEU 65 H LEU 65 2.052 -8.228 0.117 533 HA LEU 65 HA LEU 65 2.343 -5.643 -1.348 534 1HB LEU 65 2HB LEU 65 2.144 -5.072 1.411 535 2HB LEU 65 1HB LEU 65 0.974 -4.704 0.160 536 HG LEU 65 HG LEU 65 1.021 -7.439 1.390 537 1HD1 LEU 65 1HD1 LEU 65 -0.226 -4.900 2.481 538 2HD1 LEU 65 2HD1 LEU 65 0.931 -5.954 3.293 539 3HD1 LEU 65 3HD1 LEU 65 -0.712 -6.517 2.989 540 1HD2 LEU 65 1HD2 LEU 65 -0.355 -7.023 -0.626 541 2HD2 LEU 65 2HD2 LEU 65 -1.125 -5.657 0.175 542 3HD2 LEU 65 3HD2 LEU 65 -1.388 -7.293 0.777 543 HA PRO 66 HA PRO 66 6.583 -5.990 0.054 544 1HB PRO 66 2HB PRO 66 7.423 -3.520 -0.776 545 2HB PRO 66 1HB PRO 66 7.196 -4.889 -1.881 546 1HG PRO 66 2HG PRO 66 5.468 -2.532 -1.420 547 2HG PRO 66 1HG PRO 66 5.749 -3.452 -2.901 548 1HD PRO 66 2HD PRO 66 3.494 -3.690 -1.306 549 2HD PRO 66 1HD PRO 66 4.059 -4.915 -2.464 550 H GLN 67 H GLN 67 7.833 -5.088 1.869 551 HA GLN 67 HA GLN 67 6.575 -2.813 3.297 552 1HB GLN 67 2HB GLN 67 5.616 -5.079 4.085 553 2HB GLN 67 1HB GLN 67 7.203 -5.346 4.809 554 1HG GLN 67 2HG GLN 67 6.935 -3.077 5.936 555 2HG GLN 67 1HG GLN 67 5.250 -3.117 5.414 556 1HE2 GLN 67 1HE2 GLN 67 7.158 -3.835 8.041 557 2HE2 GLN 67 2HE2 GLN 67 6.214 -5.056 8.749 558 H CYS 68 H CYS 68 8.067 -1.523 4.259 559 HA CYS 68 HA CYS 68 10.909 -2.445 4.221 560 1HB CYS 68 2HB CYS 68 9.873 0.346 4.747 561 2HB CYS 68 1HB CYS 68 11.504 -0.125 4.278 562 H ASP 69 H ASP 69 12.103 -2.569 6.148 563 HA ASP 69 HA ASP 69 10.744 -1.673 8.657 564 1HB ASP 69 2HB ASP 69 10.225 -4.049 8.435 565 2HB ASP 69 1HB ASP 69 11.930 -4.422 8.179 566 H ARG 70 H ARG 70 12.143 -0.376 9.733 567 HA ARG 70 HA ARG 70 15.026 -0.490 9.149 568 1HB ARG 70 2HB ARG 70 13.768 1.669 9.464 569 2HB ARG 70 1HB ARG 70 13.563 1.242 11.160 570 1HG ARG 70 2HG ARG 70 16.287 1.332 9.849 571 2HG ARG 70 1HG ARG 70 15.558 2.761 10.576 572 1HD ARG 70 2HD ARG 70 15.212 0.959 12.598 573 2HD ARG 70 1HD ARG 70 16.708 0.361 11.883 574 HE ARG 70 HE ARG 70 17.793 2.265 12.735 575 1HH1 ARG 70 1HH2 ARG 70 14.380 2.711 12.530 576 2HH1 ARG 70 2HH2 ARG 70 14.401 4.255 13.315 577 1HH2 ARG 70 1HH1 ARG 70 17.839 4.279 13.762 578 2HH2 ARG 70 2HH1 ARG 70 16.360 5.143 14.012 579 H ILE 71 H ILE 71 16.462 -1.626 10.355 580 HA ILE 71 HA ILE 71 15.669 -2.416 13.134 581 HB ILE 71 HB ILE 71 17.043 -4.109 11.026 582 1HG1 ILE 71 2HG1 ILE 71 14.477 -4.598 12.564 583 2HG1 ILE 71 1HG1 ILE 71 14.517 -3.860 10.962 584 1HG2 ILE 71 1HG2 ILE 71 16.909 -5.864 12.881 585 2HG2 ILE 71 2HG2 ILE 71 16.601 -4.527 13.989 586 3HG2 ILE 71 3HG2 ILE 71 18.122 -4.602 13.100 587 1HD1 ILE 71 1HD1 ILE 71 14.135 -6.219 10.650 588 2HD1 ILE 71 2HD1 ILE 71 15.473 -6.631 11.724 589 3HD1 ILE 71 3HD1 ILE 71 15.795 -5.887 10.157 590 H LYS 72 H LYS 72 18.139 -1.320 10.928 591 HA LYS 72 HA LYS 72 19.902 -0.789 13.261 592 1HB LYS 72 2HB LYS 72 20.503 -2.985 11.999 593 2HB LYS 72 1HB LYS 72 21.075 -1.915 10.719 594 1HG LYS 72 2HG LYS 72 22.591 -0.802 12.291 595 2HG LYS 72 1HG LYS 72 21.985 -1.802 13.611 596 1HD LYS 72 2HD LYS 72 22.827 -3.816 12.536 597 2HD LYS 72 1HD LYS 72 23.319 -2.892 11.116 598 1HE LYS 72 2HE LYS 72 25.283 -3.247 12.486 599 2HE LYS 72 1HE LYS 72 24.836 -1.546 12.609 600 1HZ LYS 72 1HZ LYS 72 24.757 -3.630 14.620 601 2HZ LYS 72 2HZ LYS 72 23.407 -2.599 14.598 602 3HZ LYS 72 3HZ LYS 72 24.967 -1.957 14.797 603 H LEU 73 H LEU 73 21.708 0.746 12.597 604 HA LEU 73 HA LEU 73 22.328 2.812 11.688 605 1HB LEU 73 2HB LEU 73 20.882 1.960 9.172 606 2HB LEU 73 1HB LEU 73 22.323 2.962 9.314 607 HG LEU 73 HG LEU 73 22.166 0.011 9.983 608 1HD1 LEU 73 1HD1 LEU 73 23.835 -0.068 8.040 609 2HD1 LEU 73 2HD1 LEU 73 23.308 1.571 7.659 610 3HD1 LEU 73 3HD1 LEU 73 22.152 0.238 7.612 611 1HD2 LEU 73 1HD2 LEU 73 23.783 1.005 11.434 612 2HD2 LEU 73 2HD2 LEU 73 24.372 2.075 10.161 613 3HD2 LEU 73 3HD2 LEU 73 24.708 0.345 10.085 614 HA PRO 74 HA PRO 74 18.647 5.317 11.837 615 1HB PRO 74 2HB PRO 74 19.489 7.662 10.745 616 2HB PRO 74 1HB PRO 74 20.132 7.032 12.273 617 1HG PRO 74 2HG PRO 74 21.425 7.223 9.655 618 2HG PRO 74 1HG PRO 74 22.148 7.006 11.254 619 1HD PRO 74 2HD PRO 74 21.590 4.982 9.234 620 2HD PRO 74 1HD PRO 74 22.464 4.796 10.772 621 H CYS 75 H CYS 75 19.878 4.751 8.619 622 HA CYS 75 HA CYS 75 17.147 5.243 7.543 623 1HB CYS 75 2HB CYS 75 18.884 7.200 7.180 624 2HB CYS 75 1HB CYS 75 19.506 6.141 5.916 625 H HIS 76 H HIS 76 17.693 2.756 7.959 626 HA HIS 76 HA HIS 76 18.354 1.649 5.284 627 1HB HIS 76 2HB HIS 76 20.438 1.523 6.665 628 2HB HIS 76 1HB HIS 76 19.551 0.573 7.857 629 HD1 HIS 76 1HD HIS 76 18.601 -1.782 7.008 630 HD2 HIS 76 2HD HIS 76 21.338 0.060 4.455 631 HE1 HIS 76 1HE HIS 76 19.374 -3.564 5.379 632 HE2 HIS 76 2HE HIS 76 21.040 -2.452 3.822 633 H TYR 77 H TYR 77 16.596 0.433 4.758 634 HA TYR 77 HA TYR 77 15.108 -0.904 6.989 635 1HB TYR 77 2HB TYR 77 13.819 -0.484 4.336 636 2HB TYR 77 1HB TYR 77 13.112 -0.421 5.949 637 HD1 TYR 77 1HD TYR 77 13.133 1.608 7.255 638 HD2 TYR 77 2HD TYR 77 15.083 1.441 3.433 639 HE1 TYR 77 1HE TYR 77 13.346 4.076 7.258 640 HE2 TYR 77 2HE TYR 77 15.296 3.913 3.433 641 HH TYR 77 HH TYR 77 14.154 5.850 4.490 642 H LYS 78 H LYS 78 14.067 -2.960 6.411 643 HA LYS 78 HA LYS 78 15.751 -4.528 4.503 644 1HB LYS 78 2HB LYS 78 14.204 -5.276 6.992 645 2HB LYS 78 1HB LYS 78 14.712 -6.497 5.825 646 1HG LYS 78 2HG LYS 78 16.737 -4.519 6.834 647 2HG LYS 78 1HG LYS 78 16.281 -5.872 7.865 648 1HD LYS 78 2HD LYS 78 16.980 -6.424 4.997 649 2HD LYS 78 1HD LYS 78 18.283 -6.115 6.144 650 1HE LYS 78 2HE LYS 78 17.681 -7.970 7.497 651 2HE LYS 78 1HE LYS 78 16.103 -8.124 6.726 652 1HZ LYS 78 1HZ LYS 78 17.229 -8.717 4.659 653 2HZ LYS 78 2HZ LYS 78 17.611 -9.803 5.909 654 3HZ LYS 78 3HZ LYS 78 18.732 -8.617 5.438 655 H LEU 79 H LEU 79 14.653 -5.928 3.019 656 HA LEU 79 HA LEU 79 11.956 -4.963 2.307 657 1HB LEU 79 2HB LEU 79 14.103 -5.600 0.771 658 2HB LEU 79 1HB LEU 79 13.237 -7.134 0.724 659 HG LEU 79 HG LEU 79 12.032 -4.431 0.053 660 1HD1 LEU 79 1HD1 LEU 79 12.554 -6.708 -1.859 661 2HD1 LEU 79 2HD1 LEU 79 13.778 -5.477 -1.549 662 3HD1 LEU 79 3HD1 LEU 79 12.218 -5.016 -2.229 663 1HD2 LEU 79 1HD2 LEU 79 10.183 -5.926 -0.850 664 2HD2 LEU 79 2HD2 LEU 79 10.329 -5.901 0.907 665 3HD2 LEU 79 3HD2 LEU 79 10.964 -7.267 -0.010 666 H SER 80 H SER 80 10.163 -6.024 2.951 667 HA SER 80 HA SER 80 10.233 -8.977 3.245 668 1HB SER 80 2HB SER 80 10.702 -8.192 5.504 669 2HB SER 80 1HB SER 80 9.362 -7.053 5.424 670 HG SER 80 HG SER 80 8.918 -9.787 4.954 671 H SER 81 H SER 81 8.488 -9.733 2.141 672 HA SER 81 HA SER 81 5.991 -8.083 2.133 673 1HB SER 81 2HB SER 81 5.784 -8.181 -0.173 674 2HB SER 81 1HB SER 81 7.538 -8.119 -0.035 675 HG SER 81 HG SER 81 6.964 -10.623 0.218 676 H SER 82 H SER 82 4.043 -9.385 1.649 677 HA SER 82 HA SER 82 4.226 -12.292 1.672 678 1HB SER 82 2HB SER 82 3.048 -10.968 4.129 679 2HB SER 82 1HB SER 82 3.254 -12.693 3.844 680 HG SER 82 HG SER 82 5.045 -12.277 4.923 681 H THR 83 H THR 83 1.995 -13.259 1.734 682 HA THR 83 HA THR 83 0.105 -11.402 0.405 683 HB THR 83 HB THR 83 -0.867 -13.926 0.025 684 HG1 THR 83 1HG THR 83 1.895 -14.030 0.483 685 1HG2 THR 83 1HG2 THR 83 1.250 -12.446 -1.546 686 2HG2 THR 83 2HG2 THR 83 -0.497 -12.309 -1.748 687 3HG2 THR 83 3HG2 THR 83 0.325 -13.809 -2.176 688 H ASN 84 H ASN 84 -1.546 -10.690 1.645 689 HA ASN 84 HA ASN 84 -3.039 -12.552 3.340 690 1HB ASN 84 2HB ASN 84 -2.757 -11.068 5.388 691 2HB ASN 84 1HB ASN 84 -1.338 -12.020 4.951 692 1HD2 ASN 84 1HD2 ASN 84 -2.754 -8.740 4.519 693 2HD2 ASN 84 2HD2 ASN 84 -1.258 -7.950 4.375 694 H THR 85 H THR 85 -5.076 -11.584 4.068 695 HA THR 85 HA THR 85 -6.174 -9.713 2.195 696 HB THR 85 HB THR 85 -7.650 -9.810 4.706 697 HG1 THR 85 1HG THR 85 -7.171 -12.340 3.587 698 1HG2 THR 85 1HG2 THR 85 -8.751 -9.450 2.588 699 2HG2 THR 85 2HG2 THR 85 -9.299 -10.998 3.219 700 3HG2 THR 85 3HG2 THR 85 -8.095 -10.949 1.934 701 H ILE 86 H ILE 86 -6.824 -7.493 2.610 702 HA ILE 86 HA ILE 86 -5.461 -6.212 4.940 703 HB ILE 86 HB ILE 86 -4.162 -4.900 3.613 704 1HG1 ILE 86 2HG1 ILE 86 -6.597 -4.645 1.814 705 2HG1 ILE 86 1HG1 ILE 86 -5.960 -3.440 2.935 706 1HG2 ILE 86 1HG2 ILE 86 -5.122 -6.649 1.334 707 2HG2 ILE 86 2HG2 ILE 86 -3.985 -7.198 2.564 708 3HG2 ILE 86 3HG2 ILE 86 -3.550 -5.868 1.495 709 1HD1 ILE 86 1HD1 ILE 86 -3.802 -3.537 1.543 710 2HD1 ILE 86 2HD1 ILE 86 -5.194 -2.745 0.803 711 3HD1 ILE 86 3HD1 ILE 86 -4.762 -4.390 0.334 712 H CYS 87 H CYS 87 -6.509 -4.293 5.703 713 HA CYS 87 HA CYS 87 -9.338 -4.050 4.784 714 1HB CYS 87 2HB CYS 87 -9.204 -2.596 7.100 715 2HB CYS 87 1HB CYS 87 -9.605 -4.305 7.046 716 H ILE 88 H ILE 88 -9.988 -2.139 3.843 717 HA ILE 88 HA ILE 88 -8.300 0.275 4.172 718 HB ILE 88 HB ILE 88 -7.212 -0.166 2.220 719 1HG1 ILE 88 2HG1 ILE 88 -9.914 0.253 0.908 720 2HG1 ILE 88 1HG1 ILE 88 -8.903 1.563 1.523 721 1HG2 ILE 88 1HG2 ILE 88 -7.914 -2.514 2.258 722 2HG2 ILE 88 2HG2 ILE 88 -7.954 -1.896 0.610 723 3HG2 ILE 88 3HG2 ILE 88 -9.452 -2.084 1.518 724 1HD1 ILE 88 1HD1 ILE 88 -7.071 0.841 0.030 725 2HD1 ILE 88 2HD1 ILE 88 -8.523 1.252 -0.879 726 3HD1 ILE 88 3HD1 ILE 88 -8.105 -0.438 -0.606 727 H THR 89 H THR 89 -9.427 2.235 3.318 728 HA THR 89 HA THR 89 -12.391 1.810 3.326 729 HB THR 89 HB THR 89 -10.635 3.838 4.603 730 HG1 THR 89 1HG THR 89 -12.695 2.177 5.176 731 1HG2 THR 89 1HG2 THR 89 -12.643 5.422 4.672 732 2HG2 THR 89 2HG2 THR 89 -13.290 4.497 3.317 733 3HG2 THR 89 3HG2 THR 89 -11.761 5.359 3.145 734 H CYS 90 H CYS 90 -13.497 2.436 1.573 735 HA CYS 90 HA CYS 90 -12.134 4.166 -0.459 736 1HB CYS 90 2HB CYS 90 -12.433 1.601 -0.931 737 2HB CYS 90 1HB CYS 90 -14.120 2.028 -1.207 738 H VAL 91 H VAL 91 -13.616 5.505 -1.719 739 HA VAL 91 HA VAL 91 -16.101 6.141 -0.206 740 HB VAL 91 HB VAL 91 -16.048 8.283 -1.357 741 1HG1 VAL 91 1HG1 VAL 91 -14.517 7.801 0.633 742 2HG1 VAL 91 2HG1 VAL 91 -14.059 9.173 -0.377 743 3HG1 VAL 91 3HG1 VAL 91 -13.208 7.636 -0.537 744 1HG2 VAL 91 1HG2 VAL 91 -13.981 6.864 -3.014 745 2HG2 VAL 91 2HG2 VAL 91 -13.870 8.614 -2.822 746 3HG2 VAL 91 3HG2 VAL 91 -15.311 7.896 -3.538 747 H ASN 92 H ASN 92 -17.072 7.573 -2.691 748 HA ASN 92 HA ASN 92 -18.974 5.798 -3.618 749 1HB ASN 92 2HB ASN 92 -17.571 8.008 -5.116 750 2HB ASN 92 1HB ASN 92 -18.985 7.162 -5.748 751 1HD2 ASN 92 1HD2 ASN 92 -18.157 9.930 -4.108 752 2HD2 ASN 92 2HD2 ASN 92 -19.592 10.183 -3.239 753 H GLN 93 H GLN 93 -15.761 6.259 -4.916 754 HA GLN 93 HA GLN 93 -15.491 3.518 -5.712 755 1HB GLN 93 2HB GLN 93 -15.506 3.839 -8.175 756 2HB GLN 93 1HB GLN 93 -17.090 4.142 -7.464 757 1HG GLN 93 2HG GLN 93 -16.382 6.613 -7.355 758 2HG GLN 93 1HG GLN 93 -15.066 6.160 -8.439 759 1HE2 GLN 93 1HE2 GLN 93 -16.190 4.435 -10.238 760 2HE2 GLN 93 2HE2 GLN 93 -17.499 5.152 -11.047 761 H LEU 94 H LEU 94 -13.868 5.295 -4.294 762 HA LEU 94 HA LEU 94 -11.441 5.280 -5.990 763 1HB LEU 94 2HB LEU 94 -12.551 7.741 -4.615 764 2HB LEU 94 1HB LEU 94 -10.871 7.606 -5.120 765 HG LEU 94 HG LEU 94 -12.154 6.860 -7.426 766 1HD1 LEU 94 1HD1 LEU 94 -13.797 9.161 -6.364 767 2HD1 LEU 94 2HD1 LEU 94 -14.336 7.492 -6.189 768 3HD1 LEU 94 3HD1 LEU 94 -14.090 8.174 -7.796 769 1HD2 LEU 94 1HD2 LEU 94 -11.392 9.639 -6.482 770 2HD2 LEU 94 2HD2 LEU 94 -11.729 9.226 -8.164 771 3HD2 LEU 94 3HD2 LEU 94 -10.359 8.489 -7.331 772 HA PRO 95 HA PRO 95 -10.307 3.821 -1.843 773 1HB PRO 95 2HB PRO 95 -7.902 2.730 -2.518 774 2HB PRO 95 1HB PRO 95 -9.447 1.929 -2.869 775 1HG PRO 95 2HG PRO 95 -7.656 3.463 -4.679 776 2HG PRO 95 1HG PRO 95 -8.614 2.008 -5.002 777 1HD PRO 95 2HD PRO 95 -9.368 4.564 -5.755 778 2HD PRO 95 1HD PRO 95 -10.503 3.217 -5.521 779 H ILE 96 H ILE 96 -9.339 5.114 -0.267 780 HA ILE 96 HA ILE 96 -6.887 6.608 -1.023 781 HB ILE 96 HB ILE 96 -7.797 8.725 -0.166 782 1HG1 ILE 96 2HG1 ILE 96 -10.409 8.719 0.020 783 2HG1 ILE 96 1HG1 ILE 96 -10.224 6.988 0.294 784 1HG2 ILE 96 1HG2 ILE 96 -9.728 7.618 -2.206 785 2HG2 ILE 96 2HG2 ILE 96 -8.038 7.927 -2.596 786 3HG2 ILE 96 3HG2 ILE 96 -9.077 9.253 -2.088 787 1HD1 ILE 96 1HD1 ILE 96 -10.148 8.838 2.283 788 2HD1 ILE 96 2HD1 ILE 96 -8.431 8.727 1.903 789 3HD1 ILE 96 3HD1 ILE 96 -9.327 7.285 2.369 790 H HIS 97 H HIS 97 -8.519 4.760 1.348 791 HA HIS 97 HA HIS 97 -6.561 5.811 3.374 792 1HB HIS 97 2HB HIS 97 -9.477 5.398 3.584 793 2HB HIS 97 1HB HIS 97 -8.551 4.723 4.923 794 HD1 HIS 97 1HD HIS 97 -6.307 6.812 5.149 795 HD2 HIS 97 2HD HIS 97 -10.329 7.814 4.674 796 HE1 HIS 97 1HE HIS 97 -6.568 9.175 6.031 797 HE2 HIS 97 2HE HIS 97 -9.012 9.793 5.746 798 H PHE 98 H PHE 98 -5.185 4.321 4.116 799 HA PHE 98 HA PHE 98 -5.703 1.453 3.503 800 1HB PHE 98 2HB PHE 98 -3.535 2.269 2.762 801 2HB PHE 98 1HB PHE 98 -3.198 2.942 4.357 802 HD1 PHE 98 1HD PHE 98 -1.782 1.687 5.717 803 HD2 PHE 98 2HD PHE 98 -4.310 -0.339 2.896 804 HE1 PHE 98 1HE PHE 98 -0.834 -0.490 6.430 805 HE2 PHE 98 2HE PHE 98 -3.361 -2.516 3.609 806 HZ PHE 98 HZ PHE 98 -1.623 -2.592 5.376 807 H ALA 99 H ALA 99 -6.821 0.496 5.152 808 HA ALA 99 HA ALA 99 -6.860 1.437 7.848 809 1HB ALA 99 1HB ALA 99 -8.289 -0.338 8.261 810 2HB ALA 99 2HB ALA 99 -7.366 -1.448 7.255 811 3HB ALA 99 3HB ALA 99 -8.420 -0.253 6.506 812 H GLY 100 H GLY 100 -5.680 -1.836 7.039 813 1HA GLY 100 2HA GLY 100 -3.021 -1.344 8.086 814 2HA GLY 100 1HA GLY 100 -4.040 -2.162 9.270 815 H VAL 101 H VAL 101 -2.387 -3.921 8.948 816 HA VAL 101 HA VAL 101 -2.602 -5.401 6.395 817 HB VAL 101 HB VAL 101 -0.398 -5.161 7.526 818 1HG1 VAL 101 1HG1 VAL 101 0.037 -6.200 9.637 819 2HG1 VAL 101 2HG1 VAL 101 -1.529 -7.014 9.635 820 3HG1 VAL 101 3HG1 VAL 101 -1.443 -5.266 9.853 821 1HG2 VAL 101 1HG2 VAL 101 -0.989 -7.148 6.080 822 2HG2 VAL 101 2HG2 VAL 101 -1.375 -8.031 7.556 823 3HG2 VAL 101 3HG2 VAL 101 0.272 -7.471 7.269 824 H GLY 102 H GLY 102 -3.248 -7.674 6.383 825 1HA GLY 102 2HA GLY 102 -4.765 -9.390 6.917 826 2HA GLY 102 1HA GLY 102 -4.353 -9.062 8.598 827 H SER 103 H SER 103 -6.984 -9.742 7.855 828 HA SER 103 HA SER 103 -8.738 -7.616 7.296 829 1HB SER 103 2HB SER 103 -9.408 -9.701 9.369 830 2HB SER 103 1HB SER 103 -10.465 -8.965 8.166 831 HG SER 103 HG SER 103 -9.153 -11.215 7.961 832 H CYS 104 H CYS 104 -9.436 -5.859 8.455 833 HA CYS 104 HA CYS 104 -8.064 -5.236 10.946 834 1HB CYS 104 2HB CYS 104 -10.049 -3.821 9.201 835 2HB CYS 104 1HB CYS 104 -9.784 -3.237 10.842 836 HA PRO 105 HA PRO 105 -11.071 -6.873 13.750 837 1HB PRO 105 2HB PRO 105 -10.835 -5.132 15.857 838 2HB PRO 105 1HB PRO 105 -9.617 -6.363 15.470 839 1HG PRO 105 2HG PRO 105 -9.624 -3.447 14.847 840 2HG PRO 105 1HG PRO 105 -8.289 -4.485 15.382 841 1HD PRO 105 2HD PRO 105 -8.615 -3.739 12.774 842 2HD PRO 105 1HD PRO 105 -7.873 -5.284 13.245 Start of MODEL 6 1 HN PCA 1 H PCA 1 -6.683 8.816 1.054 2 HA PCA 1 HA PCA 1 -8.072 10.907 1.802 3 1HB PCA 1 1HB PCA 1 -6.656 12.265 2.954 4 2HB PCA 1 2HB PCA 1 -6.072 12.801 1.397 5 1HG PCA 1 1HG PCA 1 -4.677 11.457 3.229 6 2HG PCA 1 2HG PCA 1 -4.332 11.493 1.485 7 H ASP 2 H ASP 2 -6.270 9.665 -0.701 8 HA ASP 2 HA ASP 2 -7.979 10.838 -2.683 9 1HB ASP 2 2HB ASP 2 -6.576 12.836 -2.250 10 2HB ASP 2 1HB ASP 2 -5.133 11.893 -2.619 11 H TRP 3 H TRP 3 -8.073 9.264 -4.196 12 HA TRP 3 HA TRP 3 -6.568 6.937 -4.232 13 1HB TRP 3 2HB TRP 3 -8.549 7.002 -5.534 14 2HB TRP 3 1HB TRP 3 -7.996 8.404 -6.441 15 HD1 TRP 3 HD TRP 3 -7.925 7.490 -8.810 16 HE1 TRP 3 1HE TRP 3 -6.655 5.598 -10.005 17 HE3 TRP 3 3HE TRP 3 -5.882 5.074 -4.774 18 HZ2 TRP 3 2HZ TRP 3 -5.008 3.368 -9.355 19 HZ3 TRP 3 3HZ TRP 3 -4.474 3.073 -5.106 20 HH2 TRP 3 HH TRP 3 -4.036 2.214 -7.389 21 H GLU 4 H GLU 4 -5.706 10.055 -5.588 22 HA GLU 4 HA GLU 4 -3.568 9.173 -7.276 23 1HB GLU 4 2HB GLU 4 -4.545 11.482 -7.296 24 2HB GLU 4 1HB GLU 4 -3.756 11.788 -5.748 25 1HG GLU 4 2HG GLU 4 -1.562 11.418 -6.739 26 2HG GLU 4 1HG GLU 4 -2.299 10.960 -8.276 27 H THR 5 H THR 5 -2.930 11.037 -4.301 28 HA THR 5 HA THR 5 -0.349 10.019 -3.888 29 HB THR 5 HB THR 5 -1.422 11.905 -2.611 30 HG1 THR 5 1HG THR 5 0.531 10.754 -1.973 31 1HG2 THR 5 1HG2 THR 5 -3.479 10.421 -2.076 32 2HG2 THR 5 2HG2 THR 5 -2.885 11.493 -0.809 33 3HG2 THR 5 3HG2 THR 5 -2.488 9.776 -0.768 34 H PHE 6 H PHE 6 -3.425 8.765 -2.559 35 HA PHE 6 HA PHE 6 -2.412 6.605 -1.087 36 1HB PHE 6 2HB PHE 6 -4.874 7.378 -1.456 37 2HB PHE 6 1HB PHE 6 -4.844 6.293 -2.845 38 HD1 PHE 6 1HD PHE 6 -5.064 3.952 -2.569 39 HD2 PHE 6 2HD PHE 6 -4.264 6.443 0.837 40 HE1 PHE 6 1HE PHE 6 -5.446 2.018 -1.068 41 HE2 PHE 6 2HE PHE 6 -4.644 4.510 2.337 42 HZ PHE 6 HZ PHE 6 -5.240 2.298 1.386 43 H GLN 7 H GLN 7 -2.492 7.119 -4.518 44 HA GLN 7 HA GLN 7 -1.859 4.289 -5.097 45 1HB GLN 7 2HB GLN 7 -3.327 5.487 -6.664 46 2HB GLN 7 1HB GLN 7 -2.084 6.701 -6.930 47 1HG GLN 7 2HG GLN 7 -1.486 3.790 -7.409 48 2HG GLN 7 1HG GLN 7 -2.321 4.738 -8.637 49 1HE2 GLN 7 1HE2 GLN 7 -0.481 7.041 -7.196 50 2HE2 GLN 7 2HE2 GLN 7 0.938 6.914 -8.116 51 H LYS 8 H LYS 8 -0.283 7.281 -4.450 52 HA LYS 8 HA LYS 8 2.228 6.471 -5.777 53 1HB LYS 8 2HB LYS 8 1.690 8.865 -4.002 54 2HB LYS 8 1HB LYS 8 3.052 8.644 -5.099 55 1HG LYS 8 2HG LYS 8 0.266 8.469 -6.212 56 2HG LYS 8 1HG LYS 8 0.932 10.058 -5.850 57 1HD LYS 8 2HD LYS 8 2.612 8.112 -7.404 58 2HD LYS 8 1HD LYS 8 1.308 8.960 -8.233 59 1HE LYS 8 2HE LYS 8 3.474 10.334 -6.617 60 2HE LYS 8 1HE LYS 8 3.498 10.163 -8.372 61 1HZ LYS 8 1HZ LYS 8 1.037 11.159 -7.913 62 2HZ LYS 8 2HZ LYS 8 2.392 12.086 -8.351 63 3HZ LYS 8 3HZ LYS 8 1.950 11.943 -6.717 64 H LYS 9 H LYS 9 1.215 7.208 -2.402 65 HA LYS 9 HA LYS 9 3.754 6.086 -1.420 66 1HB LYS 9 2HB LYS 9 2.927 6.771 0.803 67 2HB LYS 9 1HB LYS 9 2.854 8.096 -0.357 68 1HG LYS 9 2HG LYS 9 0.415 7.291 -0.784 69 2HG LYS 9 1HG LYS 9 0.595 6.434 0.748 70 1HD LYS 9 2HD LYS 9 1.372 8.666 1.735 71 2HD LYS 9 1HD LYS 9 0.773 9.410 0.252 72 1HE LYS 9 2HE LYS 9 -1.039 9.540 1.793 73 2HE LYS 9 1HE LYS 9 -1.438 8.203 0.716 74 1HZ LYS 9 1HZ LYS 9 -0.155 6.834 2.502 75 2HZ LYS 9 2HZ LYS 9 -1.784 7.253 2.749 76 3HZ LYS 9 3HZ LYS 9 -0.551 8.138 3.512 77 H HIS 10 H HIS 10 0.275 5.312 -0.892 78 HA HIS 10 HA HIS 10 0.905 2.920 0.598 79 1HB HIS 10 2HB HIS 10 -1.599 3.990 -0.681 80 2HB HIS 10 1HB HIS 10 -1.569 2.367 0.002 81 HD1 HIS 10 1HD HIS 10 -0.711 2.269 2.602 82 HD2 HIS 10 2HD HIS 10 -1.998 5.983 1.204 83 HE1 HIS 10 1HE HIS 10 -1.165 3.690 4.652 84 HE2 HIS 10 2HE HIS 10 -1.948 5.951 3.812 85 H LEU 11 H LEU 11 0.985 3.554 -2.780 86 HA LEU 11 HA LEU 11 1.067 0.588 -3.280 87 1HB LEU 11 2HB LEU 11 -0.387 2.759 -4.685 88 2HB LEU 11 1HB LEU 11 0.434 1.609 -5.730 89 HG LEU 11 HG LEU 11 -0.696 -0.245 -4.473 90 1HD1 LEU 11 1HD1 LEU 11 -1.979 2.132 -3.124 91 2HD1 LEU 11 2HD1 LEU 11 -1.268 0.702 -2.384 92 3HD1 LEU 11 3HD1 LEU 11 -2.812 0.582 -3.217 93 1HD2 LEU 11 1HD2 LEU 11 -3.014 0.321 -5.419 94 2HD2 LEU 11 2HD2 LEU 11 -1.666 0.352 -6.557 95 3HD2 LEU 11 3HD2 LEU 11 -2.309 1.862 -5.911 96 H THR 12 H THR 12 2.527 -0.075 -4.975 97 HA THR 12 HA THR 12 4.528 1.974 -5.811 98 HB THR 12 HB THR 12 5.573 0.942 -3.896 99 HG1 THR 12 1HG THR 12 7.117 1.110 -5.348 100 1HG2 THR 12 1HG2 THR 12 5.742 -1.798 -4.799 101 2HG2 THR 12 2HG2 THR 12 4.052 -1.324 -4.644 102 3HG2 THR 12 3HG2 THR 12 5.140 -1.178 -3.267 103 H ASP 13 H ASP 13 6.240 0.261 -7.205 104 HA ASP 13 HA ASP 13 4.379 -0.938 -9.229 105 1HB ASP 13 2HB ASP 13 7.011 0.502 -9.654 106 2HB ASP 13 1HB ASP 13 6.087 -0.299 -10.925 107 H THR 14 H THR 14 6.072 -2.151 -6.891 108 HA THR 14 HA THR 14 6.830 -4.523 -8.390 109 HB THR 14 HB THR 14 8.768 -3.037 -8.874 110 HG1 THR 14 1HG THR 14 10.339 -4.537 -7.875 111 1HG2 THR 14 1HG2 THR 14 9.252 -3.168 -5.889 112 2HG2 THR 14 2HG2 THR 14 8.585 -1.761 -6.716 113 3HG2 THR 14 3HG2 THR 14 10.222 -2.307 -7.082 114 H LYS 15 H LYS 15 7.328 -6.295 -6.997 115 HA LYS 15 HA LYS 15 6.217 -6.058 -4.320 116 1HB LYS 15 2HB LYS 15 7.070 -8.483 -4.161 117 2HB LYS 15 1HB LYS 15 5.853 -8.151 -5.395 118 1HG LYS 15 2HG LYS 15 7.498 -8.084 -7.134 119 2HG LYS 15 1HG LYS 15 8.822 -8.057 -5.971 120 1HD LYS 15 2HD LYS 15 8.767 -10.300 -6.714 121 2HD LYS 15 1HD LYS 15 7.915 -10.345 -5.171 122 1HE LYS 15 2HE LYS 15 6.709 -11.605 -6.945 123 2HE LYS 15 1HE LYS 15 5.757 -10.256 -6.327 124 1HZ LYS 15 1HZ LYS 15 6.369 -10.727 -8.942 125 2HZ LYS 15 2HZ LYS 15 7.446 -9.491 -8.502 126 3HZ LYS 15 3HZ LYS 15 5.773 -9.273 -8.304 127 H LYS 16 H LYS 16 9.325 -5.691 -5.721 128 HA LYS 16 HA LYS 16 10.613 -5.814 -3.019 129 1HB LYS 16 2HB LYS 16 12.758 -6.044 -4.346 130 2HB LYS 16 1HB LYS 16 11.657 -7.414 -4.494 131 1HG LYS 16 2HG LYS 16 10.743 -6.290 -6.595 132 2HG LYS 16 1HG LYS 16 12.111 -5.183 -6.489 133 1HD LYS 16 2HD LYS 16 13.595 -7.267 -6.391 134 2HD LYS 16 1HD LYS 16 12.167 -8.176 -6.886 135 1HE LYS 16 2HE LYS 16 13.424 -7.607 -8.879 136 2HE LYS 16 1HE LYS 16 11.952 -6.636 -8.860 137 1HZ LYS 16 1HZ LYS 16 13.321 -4.867 -7.760 138 2HZ LYS 16 2HZ LYS 16 13.713 -5.183 -9.382 139 3HZ LYS 16 3HZ LYS 16 14.696 -5.787 -8.133 140 H VAL 17 H VAL 17 9.342 -3.540 -3.243 141 HA VAL 17 HA VAL 17 10.320 -1.434 -4.811 142 HB VAL 17 HB VAL 17 9.608 0.080 -2.999 143 1HG1 VAL 17 1HG1 VAL 17 7.323 -0.483 -3.078 144 2HG1 VAL 17 2HG1 VAL 17 7.666 -2.211 -3.117 145 3HG1 VAL 17 3HG1 VAL 17 7.997 -1.219 -4.531 146 1HG2 VAL 17 1HG2 VAL 17 8.640 -1.084 -0.927 147 2HG2 VAL 17 2HG2 VAL 17 10.399 -1.019 -1.035 148 3HG2 VAL 17 3HG2 VAL 17 9.546 -2.510 -1.435 149 H LYS 18 H LYS 18 11.666 0.407 -4.020 150 HA LYS 18 HA LYS 18 14.162 -0.670 -2.818 151 1HB LYS 18 2HB LYS 18 15.025 1.662 -3.622 152 2HB LYS 18 1HB LYS 18 14.699 0.430 -4.841 153 1HG LYS 18 2HG LYS 18 12.520 1.392 -5.311 154 2HG LYS 18 1HG LYS 18 12.703 2.545 -3.989 155 1HD LYS 18 2HD LYS 18 13.213 3.634 -6.128 156 2HD LYS 18 1HD LYS 18 14.668 3.531 -5.138 157 1HE LYS 18 2HE LYS 18 14.067 1.306 -7.063 158 2HE LYS 18 1HE LYS 18 14.744 2.813 -7.680 159 1HZ LYS 18 1HZ LYS 18 16.722 2.171 -6.969 160 2HZ LYS 18 2HZ LYS 18 16.065 0.728 -6.359 161 3HZ LYS 18 3HZ LYS 18 16.152 2.109 -5.373 162 H CYS 19 H CYS 19 12.705 -0.607 -0.800 163 HA CYS 19 HA CYS 19 11.618 1.450 0.542 164 1HB CYS 19 2HB CYS 19 13.631 -0.542 1.590 165 2HB CYS 19 1HB CYS 19 12.769 0.574 2.651 166 H ASP 20 H ASP 20 15.137 1.062 0.145 167 HA ASP 20 HA ASP 20 16.144 3.081 1.748 168 1HB ASP 20 2HB ASP 20 17.471 1.583 0.209 169 2HB ASP 20 1HB ASP 20 17.016 2.647 -1.121 170 H VAL 21 H VAL 21 14.594 3.451 -1.414 171 HA VAL 21 HA VAL 21 14.689 6.415 -1.080 172 HB VAL 21 HB VAL 21 13.727 4.975 -3.544 173 1HG1 VAL 21 1HG1 VAL 21 14.707 7.020 -4.616 174 2HG1 VAL 21 2HG1 VAL 21 15.082 7.634 -3.007 175 3HG1 VAL 21 3HG1 VAL 21 13.404 7.382 -3.486 176 1HG2 VAL 21 1HG2 VAL 21 16.582 5.450 -2.661 177 2HG2 VAL 21 2HG2 VAL 21 16.137 5.179 -4.346 178 3HG2 VAL 21 3HG2 VAL 21 15.844 3.923 -3.143 179 H GLU 22 H GLU 22 12.507 3.655 -1.442 180 HA GLU 22 HA GLU 22 10.072 5.064 -1.792 181 1HB GLU 22 2HB GLU 22 10.791 2.404 -1.412 182 2HB GLU 22 1HB GLU 22 9.840 2.767 0.027 183 1HG GLU 22 2HG GLU 22 8.258 2.035 -1.590 184 2HG GLU 22 1HG GLU 22 8.110 3.793 -1.569 185 H MET 23 H MET 23 12.269 5.346 0.672 186 HA MET 23 HA MET 23 10.217 6.533 2.489 187 1HB MET 23 2HB MET 23 12.569 4.825 3.359 188 2HB MET 23 1HB MET 23 11.432 5.638 4.433 189 1HG MET 23 2HG MET 23 9.590 4.300 3.569 190 2HG MET 23 1HG MET 23 10.653 3.553 2.377 191 1HE MET 23 1HE MET 23 10.478 3.070 6.875 192 2HE MET 23 2HE MET 23 10.016 4.441 5.870 193 3HE MET 23 3HE MET 23 11.700 4.232 6.340 194 H ALA 24 H ALA 24 13.711 6.294 1.735 195 HA ALA 24 HA ALA 24 14.302 8.773 3.139 196 1HB ALA 24 1HB ALA 24 15.900 6.781 2.577 197 2HB ALA 24 2HB ALA 24 16.534 8.425 2.514 198 3HB ALA 24 3HB ALA 24 16.089 7.595 1.023 199 H LYS 25 H LYS 25 12.594 8.271 0.402 200 HA LYS 25 HA LYS 25 13.704 10.084 -1.489 201 1HB LYS 25 2HB LYS 25 11.304 10.285 -2.307 202 2HB LYS 25 1HB LYS 25 11.937 8.646 -2.213 203 1HG LYS 25 2HG LYS 25 10.911 8.648 0.196 204 2HG LYS 25 1HG LYS 25 9.958 10.004 -0.401 205 1HD LYS 25 2HD LYS 25 10.094 7.234 -1.608 206 2HD LYS 25 1HD LYS 25 8.722 7.932 -0.756 207 1HE LYS 25 2HE LYS 25 8.879 9.821 -2.553 208 2HE LYS 25 1HE LYS 25 9.822 8.644 -3.466 209 1HZ LYS 25 1HZ LYS 25 7.238 8.749 -3.692 210 2HZ LYS 25 2HZ LYS 25 7.276 7.794 -2.288 211 3HZ LYS 25 3HZ LYS 25 8.045 7.258 -3.704 212 H ALA 26 H ALA 26 10.891 11.607 -1.349 213 HA ALA 26 HA ALA 26 11.872 13.689 0.573 214 1HB ALA 26 1HB ALA 26 12.025 14.291 -1.871 215 2HB ALA 26 2HB ALA 26 11.028 15.385 -0.912 216 3HB ALA 26 3HB ALA 26 10.267 14.177 -1.945 217 H LEU 27 H LEU 27 9.133 11.784 -0.491 218 HA LEU 27 HA LEU 27 7.225 13.453 0.996 219 1HB LEU 27 2HB LEU 27 5.547 12.195 0.006 220 2HB LEU 27 1HB LEU 27 6.833 12.016 -1.180 221 HG LEU 27 HG LEU 27 7.494 9.900 0.232 222 1HD1 LEU 27 1HD1 LEU 27 4.901 9.069 0.854 223 2HD1 LEU 27 2HD1 LEU 27 4.958 10.719 1.466 224 3HD1 LEU 27 3HD1 LEU 27 6.140 9.535 2.013 225 1HD2 LEU 27 1HD2 LEU 27 6.620 9.918 -2.108 226 2HD2 LEU 27 2HD2 LEU 27 4.978 9.906 -1.467 227 3HD2 LEU 27 3HD2 LEU 27 6.044 8.530 -1.185 228 H PHE 28 H PHE 28 9.454 11.123 1.901 229 HA PHE 28 HA PHE 28 7.800 10.398 4.297 230 1HB PHE 28 2HB PHE 28 9.601 8.773 2.566 231 2HB PHE 28 1HB PHE 28 9.670 8.447 4.293 232 HD1 PHE 28 1HD PHE 28 7.121 8.532 5.391 233 HD2 PHE 28 2HD PHE 28 8.160 7.380 1.385 234 HE1 PHE 28 1HE PHE 28 5.028 7.215 5.224 235 HE2 PHE 28 2HE PHE 28 6.067 6.065 1.219 236 HZ PHE 28 HZ PHE 28 4.500 5.982 3.139 237 H ASP 29 H ASP 29 11.175 10.824 3.186 238 HA ASP 29 HA ASP 29 12.855 12.141 4.219 239 1HB ASP 29 2HB ASP 29 10.780 13.223 5.471 240 2HB ASP 29 1HB ASP 29 11.367 12.253 6.822 241 H CYS 30 H CYS 30 12.671 9.283 4.174 242 HA CYS 30 HA CYS 30 13.703 7.410 5.124 243 1HB CYS 30 2HB CYS 30 15.663 8.932 4.982 244 2HB CYS 30 1HB CYS 30 15.297 9.525 6.600 245 H LYS 31 H LYS 31 11.520 7.161 6.299 246 HA LYS 31 HA LYS 31 11.497 7.864 9.143 247 1HB LYS 31 2HB LYS 31 9.684 5.901 7.719 248 2HB LYS 31 1HB LYS 31 9.353 6.768 9.214 249 1HG LYS 31 2HG LYS 31 9.693 8.015 6.474 250 2HG LYS 31 1HG LYS 31 8.166 7.800 7.320 251 1HD LYS 31 2HD LYS 31 10.480 9.571 8.154 252 2HD LYS 31 1HD LYS 31 8.879 10.085 7.633 253 1HE LYS 31 2HE LYS 31 8.038 8.622 9.640 254 2HE LYS 31 1HE LYS 31 9.691 8.806 10.228 255 1HZ LYS 31 1HZ LYS 31 7.569 10.746 10.070 256 2HZ LYS 31 2HZ LYS 31 9.058 11.311 9.476 257 3HZ LYS 31 3HZ LYS 31 8.943 10.718 11.064 258 H LYS 32 H LYS 32 10.193 5.037 9.505 259 HA LYS 32 HA LYS 32 12.709 3.443 9.713 260 1HB LYS 32 2HB LYS 32 12.136 2.777 11.999 261 2HB LYS 32 1HB LYS 32 12.283 4.532 11.909 262 1HG LYS 32 2HG LYS 32 9.778 4.630 11.568 263 2HG LYS 32 1HG LYS 32 9.728 2.905 11.936 264 1HD LYS 32 2HD LYS 32 10.872 5.032 13.773 265 2HD LYS 32 1HD LYS 32 9.271 4.311 13.943 266 1HE LYS 32 2HE LYS 32 10.544 2.039 13.945 267 2HE LYS 32 1HE LYS 32 11.968 3.015 14.304 268 1HZ LYS 32 1HZ LYS 32 9.900 3.898 15.949 269 2HZ LYS 32 2HZ LYS 32 11.324 3.090 16.403 270 3HZ LYS 32 3HZ LYS 32 9.919 2.205 16.046 271 H THR 33 H THR 33 9.197 3.569 9.555 272 HA THR 33 HA THR 33 9.212 0.712 8.667 273 HB THR 33 HB THR 33 8.316 0.909 10.999 274 HG1 THR 33 1HG THR 33 7.477 -0.718 9.766 275 1HG2 THR 33 1HG2 THR 33 7.401 3.260 10.541 276 2HG2 THR 33 2HG2 THR 33 6.362 2.178 11.469 277 3HG2 THR 33 3HG2 THR 33 6.040 2.457 9.758 278 H ASN 34 H ASN 34 7.956 0.341 6.839 279 HA ASN 34 HA ASN 34 6.033 2.417 5.973 280 1HB ASN 34 2HB ASN 34 8.458 2.888 5.106 281 2HB ASN 34 1HB ASN 34 8.140 1.547 4.008 282 1HD2 ASN 34 1HD2 ASN 34 5.610 1.835 3.132 283 2HD2 ASN 34 2HD2 ASN 34 5.331 3.369 2.460 284 H THR 35 H THR 35 4.539 1.630 4.420 285 HA THR 35 HA THR 35 4.804 -1.226 3.617 286 HB THR 35 HB THR 35 2.387 -0.010 4.988 287 HG1 THR 35 1HG THR 35 3.476 -0.697 6.642 288 1HG2 THR 35 1HG2 THR 35 2.849 -2.696 3.677 289 2HG2 THR 35 2HG2 THR 35 1.605 -1.508 3.286 290 3HG2 THR 35 3HG2 THR 35 1.532 -2.392 4.811 291 H PHE 36 H PHE 36 3.544 -1.759 1.738 292 HA PHE 36 HA PHE 36 2.002 0.397 0.432 293 1HB PHE 36 2HB PHE 36 4.048 -0.804 -1.366 294 2HB PHE 36 1HB PHE 36 3.381 0.820 -1.365 295 HD1 PHE 36 1HD PHE 36 4.809 2.550 -0.760 296 HD2 PHE 36 2HD PHE 36 5.488 -1.371 0.839 297 HE1 PHE 36 1HE PHE 36 6.855 3.368 0.372 298 HE2 PHE 36 2HE PHE 36 7.528 -0.557 1.977 299 HZ PHE 36 HZ PHE 36 8.217 1.813 1.737 300 H ILE 37 H ILE 37 1.342 -0.618 -1.914 301 HA ILE 37 HA ILE 37 0.769 -3.520 -1.459 302 HB ILE 37 HB ILE 37 -1.116 -1.524 -2.723 303 1HG1 ILE 37 2HG1 ILE 37 -1.549 -2.800 -0.028 304 2HG1 ILE 37 1HG1 ILE 37 -0.582 -1.333 -0.148 305 1HG2 ILE 37 1HG2 ILE 37 -1.524 -3.749 -3.522 306 2HG2 ILE 37 2HG2 ILE 37 -2.746 -3.420 -2.292 307 3HG2 ILE 37 3HG2 ILE 37 -1.349 -4.425 -1.902 308 1HD1 ILE 37 1HD1 ILE 37 -3.328 -1.401 0.077 309 2HD1 ILE 37 2HD1 ILE 37 -3.103 -1.180 -1.657 310 3HD1 ILE 37 3HD1 ILE 37 -2.395 -0.032 -0.520 311 H TYR 38 H TYR 38 1.175 -4.840 -3.172 312 HA TYR 38 HA TYR 38 2.260 -3.544 -5.623 313 1HB TYR 38 2HB TYR 38 3.617 -5.322 -4.615 314 2HB TYR 38 1HB TYR 38 2.258 -6.440 -4.722 315 HD1 TYR 38 1HD TYR 38 4.050 -4.038 -6.994 316 HD2 TYR 38 2HD TYR 38 2.315 -7.938 -6.500 317 HE1 TYR 38 1HE TYR 38 4.701 -4.623 -9.314 318 HE2 TYR 38 2HE TYR 38 2.969 -8.522 -8.819 319 HH TYR 38 HH TYR 38 5.168 -6.709 -10.620 320 H ALA 39 H ALA 39 0.436 -2.929 -6.815 321 HA ALA 39 HA ALA 39 -1.034 -5.119 -8.103 322 1HB ALA 39 1HB ALA 39 -2.303 -4.643 -5.970 323 2HB ALA 39 2HB ALA 39 -3.244 -4.405 -7.442 324 3HB ALA 39 3HB ALA 39 -2.591 -3.012 -6.578 325 H LEU 40 H LEU 40 -2.180 -4.371 -10.008 326 HA LEU 40 HA LEU 40 -0.991 -1.942 -11.124 327 1HB LEU 40 2HB LEU 40 -1.569 -2.775 -13.193 328 2HB LEU 40 1HB LEU 40 -1.508 -4.272 -12.269 329 HG LEU 40 HG LEU 40 -4.076 -3.659 -11.814 330 1HD1 LEU 40 1HD1 LEU 40 -3.629 -1.524 -13.253 331 2HD1 LEU 40 2HD1 LEU 40 -5.098 -2.448 -13.541 332 3HD1 LEU 40 3HD1 LEU 40 -3.720 -2.629 -14.621 333 1HD2 LEU 40 1HD2 LEU 40 -3.369 -5.743 -12.825 334 2HD2 LEU 40 2HD2 LEU 40 -2.924 -4.919 -14.320 335 3HD2 LEU 40 3HD2 LEU 40 -4.619 -5.041 -13.853 336 HA PRO 41 HA PRO 41 -4.062 1.023 -10.042 337 1HB PRO 41 2HB PRO 41 -4.213 1.747 -12.928 338 2HB PRO 41 1HB PRO 41 -3.891 2.775 -11.521 339 1HG PRO 41 2HG PRO 41 -1.974 1.963 -13.247 340 2HG PRO 41 1HG PRO 41 -1.667 2.333 -11.544 341 1HD PRO 41 2HD PRO 41 -1.656 -0.285 -12.904 342 2HD PRO 41 1HD PRO 41 -0.947 0.181 -11.343 343 H GLY 42 H GLY 42 -4.892 -0.301 -13.275 344 1HA GLY 42 2HA GLY 42 -7.651 0.077 -13.183 345 2HA GLY 42 1HA GLY 42 -6.911 -1.291 -14.011 346 H ARG 43 H ARG 43 -5.894 -2.767 -11.928 347 HA ARG 43 HA ARG 43 -8.171 -4.139 -10.931 348 1HB ARG 43 2HB ARG 43 -5.828 -5.068 -11.208 349 2HB ARG 43 1HB ARG 43 -5.391 -4.200 -9.738 350 1HG ARG 43 2HG ARG 43 -5.974 -6.265 -8.849 351 2HG ARG 43 1HG ARG 43 -7.521 -5.427 -8.751 352 1HD ARG 43 2HD ARG 43 -8.229 -6.439 -10.874 353 2HD ARG 43 1HD ARG 43 -6.665 -7.238 -11.030 354 HE ARG 43 HE ARG 43 -7.528 -8.158 -8.605 355 1HH1 ARG 43 1HH2 ARG 43 -8.991 -7.843 -11.711 356 2HH1 ARG 43 2HH2 ARG 43 -10.035 -9.209 -11.505 357 1HH2 ARG 43 1HH1 ARG 43 -8.882 -9.944 -8.317 358 2HH2 ARG 43 2HH1 ARG 43 -9.973 -10.399 -9.583 359 H VAL 44 H VAL 44 -6.281 -1.478 -9.611 360 HA VAL 44 HA VAL 44 -7.357 -1.737 -6.922 361 HB VAL 44 HB VAL 44 -6.050 0.651 -8.260 362 1HG1 VAL 44 1HG1 VAL 44 -7.099 1.474 -6.320 363 2HG1 VAL 44 2HG1 VAL 44 -5.479 1.072 -5.751 364 3HG1 VAL 44 3HG1 VAL 44 -6.822 -0.019 -5.424 365 1HG2 VAL 44 1HG2 VAL 44 -4.775 -1.618 -8.085 366 2HG2 VAL 44 2HG2 VAL 44 -4.734 -1.286 -6.355 367 3HG2 VAL 44 3HG2 VAL 44 -3.976 -0.166 -7.487 368 H LYS 45 H LYS 45 -7.902 0.725 -9.488 369 HA LYS 45 HA LYS 45 -10.170 1.881 -8.157 370 1HB LYS 45 2HB LYS 45 -10.155 1.966 -11.128 371 2HB LYS 45 1HB LYS 45 -10.273 3.287 -9.966 372 1HG LYS 45 2HG LYS 45 -7.759 2.688 -9.456 373 2HG LYS 45 1HG LYS 45 -7.820 1.931 -11.048 374 1HD LYS 45 2HD LYS 45 -8.447 4.816 -10.392 375 2HD LYS 45 1HD LYS 45 -7.060 4.217 -11.301 376 1HE LYS 45 2HE LYS 45 -8.741 3.204 -12.936 377 2HE LYS 45 1HE LYS 45 -9.971 4.167 -12.118 378 1HZ LYS 45 1HZ LYS 45 -7.831 5.856 -12.621 379 2HZ LYS 45 2HZ LYS 45 -9.358 5.871 -13.366 380 3HZ LYS 45 3HZ LYS 45 -8.084 4.981 -14.052 381 H ALA 46 H ALA 46 -9.719 -0.994 -9.967 382 HA ALA 46 HA ALA 46 -12.562 -1.337 -10.639 383 1HB ALA 46 1HB ALA 46 -11.796 -3.536 -11.515 384 2HB ALA 46 2HB ALA 46 -10.189 -3.214 -10.871 385 3HB ALA 46 3HB ALA 46 -10.836 -2.207 -12.165 386 H LEU 47 H LEU 47 -10.402 -2.086 -8.040 387 HA LEU 47 HA LEU 47 -11.966 -4.316 -6.998 388 1HB LEU 47 2HB LEU 47 -9.586 -2.741 -6.115 389 2HB LEU 47 1HB LEU 47 -10.505 -3.569 -4.860 390 HG LEU 47 HG LEU 47 -9.713 -5.052 -7.361 391 1HD1 LEU 47 1HD1 LEU 47 -7.648 -4.000 -6.461 392 2HD1 LEU 47 2HD1 LEU 47 -7.633 -5.751 -6.262 393 3HD1 LEU 47 3HD1 LEU 47 -7.992 -4.710 -4.885 394 1HD2 LEU 47 1HD2 LEU 47 -9.884 -6.044 -4.510 395 2HD2 LEU 47 2HD2 LEU 47 -10.012 -6.974 -6.003 396 3HD2 LEU 47 3HD2 LEU 47 -11.325 -5.904 -5.516 397 H CYS 48 H CYS 48 -12.640 -1.080 -7.208 398 HA CYS 48 HA CYS 48 -14.324 -1.189 -4.732 399 1HB CYS 48 2HB CYS 48 -12.350 0.484 -4.733 400 2HB CYS 48 1HB CYS 48 -13.294 1.391 -5.913 401 H LYS 49 H LYS 49 -14.396 -1.279 -8.013 402 HA LYS 49 HA LYS 49 -16.436 0.607 -8.688 403 1HB LYS 49 2HB LYS 49 -16.715 -0.679 -10.714 404 2HB LYS 49 1HB LYS 49 -14.996 -0.672 -10.318 405 1HG LYS 49 2HG LYS 49 -15.436 -2.882 -9.084 406 2HG LYS 49 1HG LYS 49 -16.990 -2.907 -9.919 407 1HD LYS 49 2HD LYS 49 -15.704 -2.617 -12.090 408 2HD LYS 49 1HD LYS 49 -14.231 -2.908 -11.164 409 1HE LYS 49 2HE LYS 49 -16.524 -4.793 -11.692 410 2HE LYS 49 1HE LYS 49 -14.801 -5.050 -11.968 411 1HZ LYS 49 1HZ LYS 49 -15.414 -6.250 -10.031 412 2HZ LYS 49 2HZ LYS 49 -16.204 -4.905 -9.358 413 3HZ LYS 49 3HZ LYS 49 -14.512 -4.909 -9.516 414 H ASN 50 H ASN 50 -18.690 0.390 -8.742 415 HA ASN 50 HA ASN 50 -20.803 -0.536 -8.288 416 1HB ASN 50 2HB ASN 50 -19.479 -2.731 -9.026 417 2HB ASN 50 1HB ASN 50 -19.631 -3.114 -7.311 418 1HD2 ASN 50 1HD2 ASN 50 -22.248 -1.454 -7.293 419 2HD2 ASN 50 2HD2 ASN 50 -23.396 -2.513 -7.956 420 H ILE 51 H ILE 51 -18.270 -0.139 -6.108 421 HA ILE 51 HA ILE 51 -19.711 -0.989 -3.710 422 HB ILE 51 HB ILE 51 -17.248 0.751 -4.040 423 1HG1 ILE 51 2HG1 ILE 51 -16.866 -1.514 -4.858 424 2HG1 ILE 51 1HG1 ILE 51 -16.060 -1.323 -3.302 425 1HG2 ILE 51 1HG2 ILE 51 -18.027 1.269 -1.893 426 2HG2 ILE 51 2HG2 ILE 51 -16.933 -0.078 -1.587 427 3HG2 ILE 51 3HG2 ILE 51 -18.673 -0.352 -1.632 428 1HD1 ILE 51 1HD1 ILE 51 -18.512 -2.908 -3.978 429 2HD1 ILE 51 2HD1 ILE 51 -18.349 -2.251 -2.349 430 3HD1 ILE 51 3HD1 ILE 51 -17.131 -3.356 -2.980 431 H ARG 52 H ARG 52 -19.931 0.777 -1.919 432 HA ARG 52 HA ARG 52 -21.592 2.937 -3.092 433 1HB ARG 52 2HB ARG 52 -21.263 2.119 -0.191 434 2HB ARG 52 1HB ARG 52 -22.494 3.200 -0.843 435 1HG ARG 52 2HG ARG 52 -22.165 0.308 -1.690 436 2HG ARG 52 1HG ARG 52 -23.306 0.847 -0.460 437 1HD ARG 52 2HD ARG 52 -24.130 2.511 -2.302 438 2HD ARG 52 1HD ARG 52 -23.315 1.414 -3.416 439 HE ARG 52 HE ARG 52 -24.847 -0.307 -1.943 440 1HH1 ARG 52 1HH2 ARG 52 -25.445 2.696 -3.529 441 2HH1 ARG 52 2HH2 ARG 52 -27.102 2.331 -3.881 442 1HH2 ARG 52 1HH1 ARG 52 -27.007 -0.799 -2.393 443 2HH2 ARG 52 2HH1 ARG 52 -27.986 0.354 -3.238 444 H ASP 53 H ASP 53 -21.413 4.746 -0.923 445 HA ASP 53 HA ASP 53 -19.114 6.295 -1.681 446 1HB ASP 53 2HB ASP 53 -20.738 6.633 0.843 447 2HB ASP 53 1HB ASP 53 -19.850 7.873 -0.046 448 H ASN 54 H ASN 54 -18.573 7.152 1.077 449 HA ASN 54 HA ASN 54 -16.189 5.645 1.515 450 1HB ASN 54 2HB ASN 54 -16.165 6.858 3.745 451 2HB ASN 54 1HB ASN 54 -16.283 7.900 2.326 452 1HD2 ASN 54 1HD2 ASN 54 -19.226 6.315 2.618 453 2HD2 ASN 54 2HD2 ASN 54 -20.076 7.492 3.497 454 H THR 55 H THR 55 -16.131 3.589 2.199 455 HA THR 55 HA THR 55 -17.646 2.810 4.605 456 HB THR 55 HB THR 55 -17.816 0.877 2.329 457 HG1 THR 55 1HG THR 55 -19.420 3.195 2.613 458 1HG2 THR 55 1HG2 THR 55 -19.940 0.332 3.420 459 2HG2 THR 55 2HG2 THR 55 -19.751 1.705 4.510 460 3HG2 THR 55 3HG2 THR 55 -18.637 0.342 4.608 461 H ASP 56 H ASP 56 -16.841 0.649 5.401 462 HA ASP 56 HA ASP 56 -13.938 0.444 4.842 463 1HB ASP 56 2HB ASP 56 -15.478 -1.128 6.909 464 2HB ASP 56 1HB ASP 56 -13.764 -0.715 6.902 465 H VAL 57 H VAL 57 -13.338 -0.956 3.271 466 HA VAL 57 HA VAL 57 -14.936 -3.464 2.912 467 HB VAL 57 HB VAL 57 -13.847 -3.537 0.637 468 1HG1 VAL 57 1HG1 VAL 57 -15.571 -1.180 1.433 469 2HG1 VAL 57 2HG1 VAL 57 -16.093 -2.721 0.752 470 3HG1 VAL 57 3HG1 VAL 57 -15.208 -1.569 -0.248 471 1HG2 VAL 57 1HG2 VAL 57 -11.947 -1.998 1.368 472 2HG2 VAL 57 2HG2 VAL 57 -13.095 -0.666 1.229 473 3HG2 VAL 57 3HG2 VAL 57 -12.676 -1.621 -0.192 474 H LEU 58 H LEU 58 -13.328 -5.224 1.868 475 HA LEU 58 HA LEU 58 -10.633 -5.159 3.039 476 1HB LEU 58 2HB LEU 58 -11.868 -5.795 5.004 477 2HB LEU 58 1HB LEU 58 -12.840 -6.944 4.097 478 HG LEU 58 HG LEU 58 -10.908 -8.387 3.757 479 1HD1 LEU 58 1HD1 LEU 58 -8.754 -7.767 4.950 480 2HD1 LEU 58 2HD1 LEU 58 -9.413 -6.149 5.136 481 3HD1 LEU 58 3HD1 LEU 58 -9.117 -6.799 3.529 482 1HD2 LEU 58 1HD2 LEU 58 -10.384 -8.894 6.155 483 2HD2 LEU 58 2HD2 LEU 58 -12.109 -8.692 5.849 484 3HD2 LEU 58 3HD2 LEU 58 -11.190 -7.391 6.605 485 H SER 59 H SER 59 -9.260 -6.631 1.945 486 HA SER 59 HA SER 59 -10.081 -7.606 -0.573 487 1HB SER 59 2HB SER 59 -7.779 -7.580 -0.421 488 2HB SER 59 1HB SER 59 -7.776 -8.170 1.235 489 HG SER 59 HG SER 59 -8.754 -9.838 -0.787 490 H ARG 60 H ARG 60 -10.652 -9.719 -1.309 491 HA ARG 60 HA ARG 60 -12.215 -11.232 0.683 492 1HB ARG 60 2HB ARG 60 -12.930 -10.608 -1.749 493 2HB ARG 60 1HB ARG 60 -11.935 -11.985 -2.223 494 1HG ARG 60 2HG ARG 60 -13.233 -13.457 -0.746 495 2HG ARG 60 1HG ARG 60 -14.205 -12.086 -0.212 496 1HD ARG 60 2HD ARG 60 -14.018 -13.093 -3.067 497 2HD ARG 60 1HD ARG 60 -15.368 -13.384 -1.970 498 HE ARG 60 HE ARG 60 -14.810 -10.886 -3.380 499 1HH1 ARG 60 1HH2 ARG 60 -16.261 -12.440 -0.666 500 2HH1 ARG 60 2HH2 ARG 60 -17.428 -11.188 -0.404 501 1HH2 ARG 60 1HH1 ARG 60 -16.325 -9.240 -3.052 502 2HH2 ARG 60 2HH1 ARG 60 -17.464 -9.377 -1.754 503 H ASP 61 H ASP 61 -9.051 -11.279 -0.070 504 HA ASP 61 HA ASP 61 -8.748 -14.037 0.848 505 1HB ASP 61 2HB ASP 61 -8.045 -13.241 -1.983 506 2HB ASP 61 1HB ASP 61 -7.266 -14.603 -1.177 507 H ALA 62 H ALA 62 -6.365 -12.459 -1.197 508 HA ALA 62 HA ALA 62 -5.011 -11.241 1.097 509 1HB ALA 62 1HB ALA 62 -4.202 -13.435 1.488 510 2HB ALA 62 2HB ALA 62 -2.905 -12.632 0.605 511 3HB ALA 62 3HB ALA 62 -3.983 -13.745 -0.234 512 H PHE 63 H PHE 63 -2.797 -10.367 0.343 513 HA PHE 63 HA PHE 63 -2.594 -9.871 -2.553 514 1HB PHE 63 2HB PHE 63 -3.431 -7.789 -0.550 515 2HB PHE 63 1HB PHE 63 -2.419 -7.308 -1.911 516 HD1 PHE 63 1HD PHE 63 -5.678 -8.781 -0.944 517 HD2 PHE 63 2HD PHE 63 -3.268 -7.274 -4.164 518 HE1 PHE 63 1HE PHE 63 -7.667 -8.769 -2.428 519 HE2 PHE 63 2HE PHE 63 -5.256 -7.261 -5.648 520 HZ PHE 63 HZ PHE 63 -7.455 -8.008 -4.779 521 H LEU 64 H LEU 64 -0.461 -9.529 -3.109 522 HA LEU 64 HA LEU 64 1.543 -9.862 -1.009 523 1HB LEU 64 2HB LEU 64 1.592 -10.822 -3.410 524 2HB LEU 64 1HB LEU 64 2.099 -9.210 -3.906 525 HG LEU 64 HG LEU 64 3.521 -10.714 -1.698 526 1HD1 LEU 64 1HD1 LEU 64 4.091 -10.760 -4.677 527 2HD1 LEU 64 2HD1 LEU 64 3.602 -12.134 -3.685 528 3HD1 LEU 64 3HD1 LEU 64 5.178 -11.382 -3.434 529 1HD2 LEU 64 1HD2 LEU 64 5.409 -9.203 -2.682 530 2HD2 LEU 64 2HD2 LEU 64 4.175 -8.448 -1.678 531 3HD2 LEU 64 3HD2 LEU 64 4.091 -8.308 -3.434 532 H LEU 65 H LEU 65 2.099 -8.086 0.200 533 HA LEU 65 HA LEU 65 2.425 -5.508 -1.275 534 1HB LEU 65 2HB LEU 65 2.176 -4.930 1.483 535 2HB LEU 65 1HB LEU 65 1.041 -4.547 0.205 536 HG LEU 65 HG LEU 65 1.029 -7.281 1.442 537 1HD1 LEU 65 1HD1 LEU 65 -0.226 -4.726 2.483 538 2HD1 LEU 65 2HD1 LEU 65 0.903 -5.780 3.333 539 3HD1 LEU 65 3HD1 LEU 65 -0.736 -6.336 2.990 540 1HD2 LEU 65 1HD2 LEU 65 -0.285 -6.850 -0.618 541 2HD2 LEU 65 2HD2 LEU 65 -1.071 -5.485 0.168 542 3HD2 LEU 65 3HD2 LEU 65 -1.356 -7.123 0.754 543 HA PRO 66 HA PRO 66 6.635 -5.837 0.211 544 1HB PRO 66 2HB PRO 66 7.485 -3.364 -0.591 545 2HB PRO 66 1HB PRO 66 7.276 -4.725 -1.708 546 1HG PRO 66 2HG PRO 66 5.538 -2.373 -1.258 547 2HG PRO 66 1HG PRO 66 5.847 -3.282 -2.742 548 1HD PRO 66 2HD PRO 66 3.564 -3.538 -1.187 549 2HD PRO 66 1HD PRO 66 4.152 -4.752 -2.346 550 H GLN 67 H GLN 67 7.851 -4.955 2.045 551 HA GLN 67 HA GLN 67 6.593 -2.677 3.468 552 1HB GLN 67 2HB GLN 67 5.609 -4.938 4.241 553 2HB GLN 67 1HB GLN 67 7.189 -5.224 4.973 554 1HG GLN 67 2HG GLN 67 6.918 -2.926 6.082 555 2HG GLN 67 1HG GLN 67 5.226 -3.011 5.591 556 1HE2 GLN 67 1HE2 GLN 67 4.095 -5.173 6.284 557 2HE2 GLN 67 2HE2 GLN 67 4.499 -5.774 7.818 558 H CYS 68 H CYS 68 8.103 -1.391 4.392 559 HA CYS 68 HA CYS 68 10.933 -2.294 4.304 560 1HB CYS 68 2HB CYS 68 9.868 0.430 5.079 561 2HB CYS 68 1HB CYS 68 11.505 0.024 4.562 562 H ASP 69 H ASP 69 12.051 -2.826 6.144 563 HA ASP 69 HA ASP 69 10.820 -2.098 8.782 564 1HB ASP 69 2HB ASP 69 10.477 -4.517 8.163 565 2HB ASP 69 1HB ASP 69 12.231 -4.706 8.162 566 H ARG 70 H ARG 70 12.215 -0.748 9.803 567 HA ARG 70 HA ARG 70 15.038 -0.622 9.097 568 1HB ARG 70 2HB ARG 70 13.568 1.309 9.934 569 2HB ARG 70 1HB ARG 70 13.758 0.612 11.541 570 1HG ARG 70 2HG ARG 70 16.283 0.666 11.097 571 2HG ARG 70 1HG ARG 70 15.911 1.695 9.715 572 1HD ARG 70 2HD ARG 70 16.080 3.399 11.219 573 2HD ARG 70 1HD ARG 70 14.457 2.915 11.703 574 HE ARG 70 HE ARG 70 16.963 2.306 13.163 575 1HH1 ARG 70 1HH2 ARG 70 13.550 1.926 12.766 576 2HH1 ARG 70 2HH2 ARG 70 13.297 1.362 14.382 577 1HH2 ARG 70 1HH1 ARG 70 16.640 1.568 15.268 578 2HH2 ARG 70 2HH1 ARG 70 15.042 1.158 15.796 579 H ILE 71 H ILE 71 16.736 -1.620 10.126 580 HA ILE 71 HA ILE 71 16.291 -2.851 12.788 581 HB ILE 71 HB ILE 71 17.394 -4.465 10.475 582 1HG1 ILE 71 2HG1 ILE 71 14.604 -4.396 11.667 583 2HG1 ILE 71 1HG1 ILE 71 15.052 -4.036 9.999 584 1HG2 ILE 71 1HG2 ILE 71 18.030 -4.995 12.889 585 2HG2 ILE 71 2HG2 ILE 71 17.274 -6.311 11.992 586 3HG2 ILE 71 3HG2 ILE 71 16.331 -5.380 13.155 587 1HD1 ILE 71 1HD1 ILE 71 15.981 -6.418 9.888 588 2HD1 ILE 71 2HD1 ILE 71 14.225 -6.272 9.965 589 3HD1 ILE 71 3HD1 ILE 71 15.137 -6.709 11.409 590 H LYS 72 H LYS 72 18.530 -2.103 10.135 591 HA LYS 72 HA LYS 72 20.688 -1.778 12.191 592 1HB LYS 72 2HB LYS 72 22.248 -2.430 10.231 593 2HB LYS 72 1HB LYS 72 21.342 -3.723 11.019 594 1HG LYS 72 2HG LYS 72 19.721 -3.791 9.264 595 2HG LYS 72 1HG LYS 72 20.308 -2.279 8.571 596 1HD LYS 72 2HD LYS 72 21.120 -4.190 7.257 597 2HD LYS 72 1HD LYS 72 22.468 -3.369 8.043 598 1HE LYS 72 2HE LYS 72 22.711 -5.063 9.667 599 2HE LYS 72 1HE LYS 72 21.097 -5.707 9.366 600 1HZ LYS 72 1HZ LYS 72 21.979 -6.176 7.034 601 2HZ LYS 72 2HZ LYS 72 22.503 -7.187 8.295 602 3HZ LYS 72 3HZ LYS 72 23.522 -5.962 7.704 603 H LEU 73 H LEU 73 22.543 -0.406 11.171 604 HA LEU 73 HA LEU 73 23.146 1.754 10.495 605 1HB LEU 73 2HB LEU 73 21.237 1.455 8.189 606 2HB LEU 73 1HB LEU 73 22.868 2.122 8.202 607 HG LEU 73 HG LEU 73 22.129 -0.802 8.489 608 1HD1 LEU 73 1HD1 LEU 73 22.002 -0.206 6.195 609 2HD1 LEU 73 2HD1 LEU 73 23.617 -0.887 6.392 610 3HD1 LEU 73 3HD1 LEU 73 23.401 0.861 6.313 611 1HD2 LEU 73 1HD2 LEU 73 24.689 -1.031 8.354 612 2HD2 LEU 73 2HD2 LEU 73 24.030 -0.461 9.887 613 3HD2 LEU 73 3HD2 LEU 73 24.750 0.686 8.756 614 HA PRO 74 HA PRO 74 19.846 4.534 11.571 615 1HB PRO 74 2HB PRO 74 20.668 6.897 10.529 616 2HB PRO 74 1HB PRO 74 21.561 6.067 11.817 617 1HG PRO 74 2HG PRO 74 22.242 6.383 8.976 618 2HG PRO 74 1HG PRO 74 23.294 6.055 10.360 619 1HD PRO 74 2HD PRO 74 22.255 4.166 8.434 620 2HD PRO 74 1HD PRO 74 23.333 3.840 9.808 621 H CYS 75 H CYS 75 20.559 4.705 8.091 622 HA CYS 75 HA CYS 75 17.657 5.286 7.618 623 1HB CYS 75 2HB CYS 75 19.280 7.202 7.132 624 2HB CYS 75 1HB CYS 75 19.909 6.202 5.823 625 H HIS 76 H HIS 76 18.092 2.724 7.714 626 HA HIS 76 HA HIS 76 18.144 1.865 4.870 627 1HB HIS 76 2HB HIS 76 20.426 1.497 5.998 628 2HB HIS 76 1HB HIS 76 19.611 0.294 6.999 629 HD1 HIS 76 1HD HIS 76 18.356 -1.679 5.615 630 HD2 HIS 76 2HD HIS 76 21.152 0.563 3.480 631 HE1 HIS 76 1HE HIS 76 18.913 -3.018 3.536 632 HE2 HIS 76 2HE HIS 76 20.614 -1.662 2.230 633 H TYR 77 H TYR 77 16.891 -0.070 4.523 634 HA TYR 77 HA TYR 77 15.372 -1.055 6.896 635 1HB TYR 77 2HB TYR 77 13.946 -0.590 4.294 636 2HB TYR 77 1HB TYR 77 13.286 -0.666 5.928 637 HD1 TYR 77 1HD TYR 77 13.669 1.228 7.520 638 HD2 TYR 77 2HD TYR 77 14.787 1.460 3.379 639 HE1 TYR 77 1HE TYR 77 13.849 3.695 7.704 640 HE2 TYR 77 2HE TYR 77 14.963 3.927 3.565 641 HH TYR 77 HH TYR 77 13.834 5.641 6.355 642 H LYS 78 H LYS 78 14.184 -3.104 6.373 643 HA LYS 78 HA LYS 78 15.804 -4.758 4.483 644 1HB LYS 78 2HB LYS 78 15.817 -5.444 6.881 645 2HB LYS 78 1HB LYS 78 14.067 -5.634 6.816 646 1HG LYS 78 2HG LYS 78 15.508 -7.057 4.660 647 2HG LYS 78 1HG LYS 78 15.879 -7.642 6.281 648 1HD LYS 78 2HD LYS 78 13.533 -8.021 6.749 649 2HD LYS 78 1HD LYS 78 13.063 -7.263 5.227 650 1HE LYS 78 2HE LYS 78 12.997 -9.672 4.932 651 2HE LYS 78 1HE LYS 78 14.359 -9.035 4.012 652 1HZ LYS 78 1HZ LYS 78 14.390 -10.486 6.583 653 2HZ LYS 78 2HZ LYS 78 15.697 -9.508 6.115 654 3HZ LYS 78 3HZ LYS 78 15.239 -10.835 5.158 655 H LEU 79 H LEU 79 14.686 -6.139 3.021 656 HA LEU 79 HA LEU 79 12.042 -5.144 2.235 657 1HB LEU 79 2HB LEU 79 13.610 -5.617 0.458 658 2HB LEU 79 1HB LEU 79 13.886 -7.247 1.067 659 HG LEU 79 HG LEU 79 11.620 -7.907 0.516 660 1HD1 LEU 79 1HD1 LEU 79 11.274 -4.955 -0.011 661 2HD1 LEU 79 2HD1 LEU 79 10.292 -6.014 1.000 662 3HD1 LEU 79 3HD1 LEU 79 10.203 -6.141 -0.755 663 1HD2 LEU 79 1HD2 LEU 79 12.719 -6.276 -1.793 664 2HD2 LEU 79 2HD2 LEU 79 11.701 -7.712 -1.898 665 3HD2 LEU 79 3HD2 LEU 79 13.358 -7.847 -1.307 666 H SER 80 H SER 80 10.189 -6.016 2.984 667 HA SER 80 HA SER 80 10.086 -8.925 3.585 668 1HB SER 80 2HB SER 80 10.456 -8.161 5.779 669 2HB SER 80 1HB SER 80 9.551 -6.674 5.515 670 HG SER 80 HG SER 80 7.659 -7.958 5.388 671 H SER 81 H SER 81 8.440 -9.615 2.310 672 HA SER 81 HA SER 81 5.938 -7.976 2.231 673 1HB SER 81 2HB SER 81 5.824 -8.018 -0.080 674 2HB SER 81 1HB SER 81 7.573 -7.971 0.121 675 HG SER 81 HG SER 81 7.554 -9.791 -0.919 676 H SER 82 H SER 82 4.017 -9.275 1.702 677 HA SER 82 HA SER 82 4.200 -12.175 1.615 678 1HB SER 82 2HB SER 82 3.009 -10.989 4.132 679 2HB SER 82 1HB SER 82 3.289 -12.690 3.774 680 HG SER 82 HG SER 82 5.228 -12.438 4.517 681 H THR 83 H THR 83 1.966 -13.143 1.669 682 HA THR 83 HA THR 83 0.084 -11.244 0.396 683 HB THR 83 HB THR 83 -0.941 -13.749 0.019 684 HG1 THR 83 1HG THR 83 1.489 -14.522 -0.613 685 1HG2 THR 83 1HG2 THR 83 0.195 -13.647 -2.197 686 2HG2 THR 83 2HG2 THR 83 1.207 -12.342 -1.579 687 3HG2 THR 83 3HG2 THR 83 -0.534 -12.108 -1.740 688 H ASN 84 H ASN 84 -1.559 -10.518 1.640 689 HA ASN 84 HA ASN 84 -3.042 -12.353 3.373 690 1HB ASN 84 2HB ASN 84 -1.235 -11.764 4.900 691 2HB ASN 84 1HB ASN 84 -1.470 -10.048 4.563 692 1HD2 ASN 84 1HD2 ASN 84 -1.969 -9.690 6.880 693 2HD2 ASN 84 2HD2 ASN 84 -3.481 -10.139 7.508 694 H THR 85 H THR 85 -5.076 -11.386 4.080 695 HA THR 85 HA THR 85 -6.178 -9.529 2.217 696 HB THR 85 HB THR 85 -7.538 -9.728 4.833 697 HG1 THR 85 1HG THR 85 -6.422 -11.936 3.586 698 1HG2 THR 85 1HG2 THR 85 -9.302 -10.727 3.272 699 2HG2 THR 85 2HG2 THR 85 -8.195 -10.356 1.955 700 3HG2 THR 85 3HG2 THR 85 -8.833 -9.058 2.965 701 H ILE 86 H ILE 86 -7.057 -7.337 2.805 702 HA ILE 86 HA ILE 86 -5.729 -6.044 5.105 703 HB ILE 86 HB ILE 86 -4.251 -4.759 3.930 704 1HG1 ILE 86 2HG1 ILE 86 -4.755 -3.943 1.554 705 2HG1 ILE 86 1HG1 ILE 86 -6.370 -4.608 1.766 706 1HG2 ILE 86 1HG2 ILE 86 -3.466 -5.820 1.822 707 2HG2 ILE 86 2HG2 ILE 86 -4.903 -6.839 1.823 708 3HG2 ILE 86 3HG2 ILE 86 -3.713 -6.989 3.117 709 1HD1 ILE 86 1HD1 ILE 86 -5.709 -3.031 4.083 710 2HD1 ILE 86 2HD1 ILE 86 -6.987 -2.772 2.904 711 3HD1 ILE 86 3HD1 ILE 86 -5.394 -2.083 2.631 712 H CYS 87 H CYS 87 -7.095 -4.603 6.027 713 HA CYS 87 HA CYS 87 -9.675 -4.066 4.748 714 1HB CYS 87 2HB CYS 87 -8.482 -3.734 7.449 715 2HB CYS 87 1HB CYS 87 -9.730 -2.565 7.010 716 H ILE 88 H ILE 88 -10.221 -2.220 3.706 717 HA ILE 88 HA ILE 88 -8.586 0.211 4.087 718 HB ILE 88 HB ILE 88 -7.356 -0.562 2.274 719 1HG1 ILE 88 2HG1 ILE 88 -9.665 0.489 0.655 720 2HG1 ILE 88 1HG1 ILE 88 -8.793 1.560 1.746 721 1HG2 ILE 88 1HG2 ILE 88 -9.032 -2.594 2.078 722 2HG2 ILE 88 2HG2 ILE 88 -8.042 -2.137 0.698 723 3HG2 ILE 88 3HG2 ILE 88 -9.728 -1.636 0.775 724 1HD1 ILE 88 1HD1 ILE 88 -7.638 1.823 -0.292 725 2HD1 ILE 88 2HD1 ILE 88 -7.755 0.108 -0.682 726 3HD1 ILE 88 3HD1 ILE 88 -6.649 0.653 0.577 727 H THR 89 H THR 89 -9.755 2.113 3.572 728 HA THR 89 HA THR 89 -12.676 1.670 3.219 729 HB THR 89 HB THR 89 -10.991 3.745 4.510 730 HG1 THR 89 1HG THR 89 -13.151 2.174 4.990 731 1HG2 THR 89 1HG2 THR 89 -12.943 5.385 4.338 732 2HG2 THR 89 2HG2 THR 89 -13.523 4.407 2.991 733 3HG2 THR 89 3HG2 THR 89 -11.957 5.211 2.886 734 H CYS 90 H CYS 90 -13.790 2.534 1.473 735 HA CYS 90 HA CYS 90 -12.242 4.083 -0.550 736 1HB CYS 90 2HB CYS 90 -12.112 1.727 -1.227 737 2HB CYS 90 1HB CYS 90 -13.863 1.578 -1.093 738 H VAL 91 H VAL 91 -13.644 5.227 -2.074 739 HA VAL 91 HA VAL 91 -16.223 5.961 -0.826 740 HB VAL 91 HB VAL 91 -14.422 7.639 -1.581 741 1HG1 VAL 91 1HG1 VAL 91 -15.643 7.584 -4.297 742 2HG1 VAL 91 2HG1 VAL 91 -14.470 6.316 -3.940 743 3HG1 VAL 91 3HG1 VAL 91 -14.007 8.010 -3.800 744 1HG2 VAL 91 1HG2 VAL 91 -17.365 7.741 -2.096 745 2HG2 VAL 91 2HG2 VAL 91 -16.387 9.058 -2.742 746 3HG2 VAL 91 3HG2 VAL 91 -16.378 8.718 -1.013 747 H ASN 92 H ASN 92 -17.098 6.946 -3.581 748 HA ASN 92 HA ASN 92 -18.894 4.934 -4.253 749 1HB ASN 92 2HB ASN 92 -18.767 7.345 -5.129 750 2HB ASN 92 1HB ASN 92 -17.661 6.709 -6.348 751 1HD2 ASN 92 1HD2 ASN 92 -20.750 7.602 -6.201 752 2HD2 ASN 92 2HD2 ASN 92 -21.491 6.413 -7.159 753 H GLN 93 H GLN 93 -15.609 5.306 -5.331 754 HA GLN 93 HA GLN 93 -15.257 2.537 -5.904 755 1HB GLN 93 2HB GLN 93 -15.038 2.805 -8.446 756 2HB GLN 93 1HB GLN 93 -16.679 2.759 -7.801 757 1HG GLN 93 2HG GLN 93 -16.901 5.140 -7.948 758 2HG GLN 93 1HG GLN 93 -15.179 5.344 -8.276 759 1HE2 GLN 93 1HE2 GLN 93 -16.406 2.588 -9.876 760 2HE2 GLN 93 2HE2 GLN 93 -16.630 3.285 -11.408 761 H LEU 94 H LEU 94 -13.766 4.533 -4.595 762 HA LEU 94 HA LEU 94 -11.234 4.412 -6.146 763 1HB LEU 94 2HB LEU 94 -12.697 6.905 -5.353 764 2HB LEU 94 1HB LEU 94 -10.937 6.914 -5.281 765 HG LEU 94 HG LEU 94 -12.283 5.871 -7.758 766 1HD1 LEU 94 1HD1 LEU 94 -12.191 8.218 -8.666 767 2HD1 LEU 94 2HD1 LEU 94 -11.915 8.785 -7.019 768 3HD1 LEU 94 3HD1 LEU 94 -13.426 7.974 -7.432 769 1HD2 LEU 94 1HD2 LEU 94 -10.242 6.445 -8.789 770 2HD2 LEU 94 2HD2 LEU 94 -9.741 5.864 -7.202 771 3HD2 LEU 94 3HD2 LEU 94 -9.824 7.595 -7.520 772 HA PRO 95 HA PRO 95 -10.525 3.266 -1.742 773 1HB PRO 95 2HB PRO 95 -7.927 2.346 -2.808 774 2HB PRO 95 1HB PRO 95 -9.158 1.442 -1.910 775 1HG PRO 95 2HG PRO 95 -8.686 1.070 -4.541 776 2HG PRO 95 1HG PRO 95 -10.271 0.821 -3.792 777 1HD PRO 95 2HD PRO 95 -9.336 3.076 -5.512 778 2HD PRO 95 1HD PRO 95 -10.960 2.371 -5.349 779 H ILE 96 H ILE 96 -9.453 4.529 -0.174 780 HA ILE 96 HA ILE 96 -7.079 6.075 -1.022 781 HB ILE 96 HB ILE 96 -8.065 8.211 -0.218 782 1HG1 ILE 96 2HG1 ILE 96 -10.722 8.055 -0.257 783 2HG1 ILE 96 1HG1 ILE 96 -10.420 6.386 0.217 784 1HG2 ILE 96 1HG2 ILE 96 -9.275 8.654 -2.219 785 2HG2 ILE 96 2HG2 ILE 96 -9.804 6.978 -2.358 786 3HG2 ILE 96 3HG2 ILE 96 -8.117 7.395 -2.638 787 1HD1 ILE 96 1HD1 ILE 96 -8.735 7.968 1.854 788 2HD1 ILE 96 2HD1 ILE 96 -10.188 7.099 2.335 789 3HD1 ILE 96 3HD1 ILE 96 -10.298 8.780 1.825 790 H HIS 97 H HIS 97 -8.626 4.278 1.402 791 HA HIS 97 HA HIS 97 -6.725 5.462 3.401 792 1HB HIS 97 2HB HIS 97 -9.641 5.236 3.555 793 2HB HIS 97 1HB HIS 97 -8.836 4.494 4.936 794 HD1 HIS 97 1HD HIS 97 -6.435 6.383 5.259 795 HD2 HIS 97 2HD HIS 97 -10.327 7.726 4.590 796 HE1 HIS 97 1HE HIS 97 -6.530 8.765 6.119 797 HE2 HIS 97 2HE HIS 97 -8.894 9.592 5.716 798 H PHE 98 H PHE 98 -5.264 3.942 3.883 799 HA PHE 98 HA PHE 98 -5.872 1.073 3.591 800 1HB PHE 98 2HB PHE 98 -3.645 2.151 2.973 801 2HB PHE 98 1HB PHE 98 -3.361 2.376 4.696 802 HD1 PHE 98 1HD PHE 98 -3.667 -0.083 1.974 803 HD2 PHE 98 2HD PHE 98 -2.952 0.474 6.172 804 HE1 PHE 98 1HE PHE 98 -2.828 -2.410 2.139 805 HE2 PHE 98 2HE PHE 98 -2.114 -1.854 6.337 806 HZ PHE 98 HZ PHE 98 -2.051 -3.297 4.322 807 H ALA 99 H ALA 99 -7.121 0.270 5.266 808 HA ALA 99 HA ALA 99 -7.224 1.314 7.904 809 1HB ALA 99 1HB ALA 99 -8.754 -0.442 6.686 810 2HB ALA 99 2HB ALA 99 -8.554 -0.533 8.435 811 3HB ALA 99 3HB ALA 99 -7.641 -1.617 7.387 812 H GLY 100 H GLY 100 -5.793 -1.869 7.106 813 1HA GLY 100 2HA GLY 100 -3.244 -1.286 8.300 814 2HA GLY 100 1HA GLY 100 -4.277 -2.121 9.462 815 H VAL 101 H VAL 101 -2.512 -3.810 9.201 816 HA VAL 101 HA VAL 101 -2.559 -5.322 6.675 817 HB VAL 101 HB VAL 101 -1.179 -5.938 9.307 818 1HG1 VAL 101 1HG1 VAL 101 -1.444 -7.931 7.933 819 2HG1 VAL 101 2HG1 VAL 101 0.235 -7.398 7.843 820 3HG1 VAL 101 3HG1 VAL 101 -0.868 -7.066 6.508 821 1HG2 VAL 101 1HG2 VAL 101 0.845 -5.096 8.074 822 2HG2 VAL 101 2HG2 VAL 101 -0.355 -3.842 8.388 823 3HG2 VAL 101 3HG2 VAL 101 -0.225 -4.554 6.780 824 H GLY 102 H GLY 102 -3.621 -7.270 6.372 825 1HA GLY 102 2HA GLY 102 -4.972 -9.138 6.885 826 2HA GLY 102 1HA GLY 102 -4.724 -8.792 8.596 827 H SER 103 H SER 103 -7.079 -9.260 8.778 828 HA SER 103 HA SER 103 -8.969 -7.425 7.527 829 1HB SER 103 2HB SER 103 -9.463 -9.227 9.909 830 2HB SER 103 1HB SER 103 -10.655 -8.593 8.778 831 HG SER 103 HG SER 103 -9.301 -10.846 8.614 832 H CYS 104 H CYS 104 -10.403 -6.006 8.863 833 HA CYS 104 HA CYS 104 -8.779 -4.575 10.895 834 1HB CYS 104 2HB CYS 104 -10.834 -2.938 10.643 835 2HB CYS 104 1HB CYS 104 -9.613 -3.009 9.373 836 HA PRO 105 HA PRO 105 -11.198 -6.136 14.255 837 1HB PRO 105 2HB PRO 105 -11.146 -4.006 15.984 838 2HB PRO 105 1HB PRO 105 -9.749 -5.061 15.694 839 1HG PRO 105 2HG PRO 105 -10.348 -2.367 14.569 840 2HG PRO 105 1HG PRO 105 -8.807 -3.037 15.133 841 1HD PRO 105 2HD PRO 105 -9.454 -2.876 12.485 842 2HD PRO 105 1HD PRO 105 -8.408 -4.156 13.140 Start of MODEL 7 1 HN PCA 1 H PCA 1 -6.368 9.169 1.217 2 HA PCA 1 HA PCA 1 -7.867 11.203 1.946 3 1HB PCA 1 1HB PCA 1 -6.506 12.668 3.034 4 2HB PCA 1 2HB PCA 1 -5.967 13.180 1.452 5 1HG PCA 1 1HG PCA 1 -4.482 11.974 3.303 6 2HG PCA 1 2HG PCA 1 -4.169 11.950 1.553 7 H ASP 2 H ASP 2 -6.057 9.960 -0.542 8 HA ASP 2 HA ASP 2 -7.833 11.096 -2.520 9 1HB ASP 2 2HB ASP 2 -5.085 12.246 -2.160 10 2HB ASP 2 1HB ASP 2 -5.701 12.056 -3.803 11 H TRP 3 H TRP 3 -7.961 9.610 -4.151 12 HA TRP 3 HA TRP 3 -6.578 7.151 -4.026 13 1HB TRP 3 2HB TRP 3 -8.558 7.058 -5.235 14 2HB TRP 3 1HB TRP 3 -8.213 8.538 -6.120 15 HD1 TRP 3 HD TRP 3 -8.128 7.859 -8.548 16 HE1 TRP 3 1HE TRP 3 -6.889 6.072 -9.929 17 HE3 TRP 3 3HE TRP 3 -5.940 5.171 -4.782 18 HZ2 TRP 3 2HZ TRP 3 -5.207 3.806 -9.502 19 HZ3 TRP 3 3HZ TRP 3 -4.531 3.206 -5.304 20 HH2 TRP 3 HH TRP 3 -4.161 2.520 -7.657 21 H GLU 4 H GLU 4 -5.753 10.140 -5.698 22 HA GLU 4 HA GLU 4 -3.703 9.086 -7.388 23 1HB GLU 4 2HB GLU 4 -3.884 11.814 -6.066 24 2HB GLU 4 1HB GLU 4 -2.812 11.401 -7.404 25 1HG GLU 4 2HG GLU 4 -5.822 11.091 -7.532 26 2HG GLU 4 1HG GLU 4 -4.970 12.529 -8.098 27 H THR 5 H THR 5 -2.942 11.112 -4.545 28 HA THR 5 HA THR 5 -0.342 10.142 -4.173 29 HB THR 5 HB THR 5 -1.307 12.065 -2.938 30 HG1 THR 5 1HG THR 5 0.561 11.031 -2.157 31 1HG2 THR 5 1HG2 THR 5 -2.542 10.102 -1.027 32 2HG2 THR 5 2HG2 THR 5 -3.454 10.668 -2.426 33 3HG2 THR 5 3HG2 THR 5 -2.883 11.821 -1.221 34 H PHE 6 H PHE 6 -3.346 8.921 -2.642 35 HA PHE 6 HA PHE 6 -2.249 6.837 -1.135 36 1HB PHE 6 2HB PHE 6 -4.693 7.473 -1.273 37 2HB PHE 6 1HB PHE 6 -4.767 6.602 -2.804 38 HD1 PHE 6 1HD PHE 6 -3.890 6.199 0.802 39 HD2 PHE 6 2HD PHE 6 -5.047 4.257 -2.848 40 HE1 PHE 6 1HE PHE 6 -4.177 4.067 2.026 41 HE2 PHE 6 2HE PHE 6 -5.339 2.122 -1.623 42 HZ PHE 6 HZ PHE 6 -4.906 2.027 0.816 43 H GLN 7 H GLN 7 -2.459 7.189 -4.581 44 HA GLN 7 HA GLN 7 -1.822 4.345 -5.065 45 1HB GLN 7 2HB GLN 7 -3.359 5.676 -6.579 46 2HB GLN 7 1HB GLN 7 -1.953 6.614 -7.073 47 1HG GLN 7 2HG GLN 7 -1.906 3.606 -7.233 48 2HG GLN 7 1HG GLN 7 -2.654 4.557 -8.514 49 1HE2 GLN 7 1HE2 GLN 7 -0.959 6.763 -8.711 50 2HE2 GLN 7 2HE2 GLN 7 0.604 6.258 -9.143 51 H LYS 8 H LYS 8 -0.237 7.374 -4.625 52 HA LYS 8 HA LYS 8 2.206 6.541 -6.046 53 1HB LYS 8 2HB LYS 8 1.750 8.966 -4.293 54 2HB LYS 8 1HB LYS 8 3.054 8.730 -5.457 55 1HG LYS 8 2HG LYS 8 0.206 8.525 -6.405 56 2HG LYS 8 1HG LYS 8 0.905 10.119 -6.135 57 1HD LYS 8 2HD LYS 8 2.773 9.571 -7.645 58 2HD LYS 8 1HD LYS 8 2.093 7.964 -7.908 59 1HE LYS 8 2HE LYS 8 1.474 9.484 -9.749 60 2HE LYS 8 1HE LYS 8 0.046 8.985 -8.842 61 1HZ LYS 8 1HZ LYS 8 -0.347 11.066 -8.223 62 2HZ LYS 8 2HZ LYS 8 0.812 11.553 -9.367 63 3HZ LYS 8 3HZ LYS 8 1.259 11.324 -7.743 64 H LYS 9 H LYS 9 1.346 7.256 -2.622 65 HA LYS 9 HA LYS 9 3.978 6.221 -1.793 66 1HB LYS 9 2HB LYS 9 3.009 6.775 0.541 67 2HB LYS 9 1HB LYS 9 3.360 8.112 -0.552 68 1HG LYS 9 2HG LYS 9 1.102 8.494 -1.030 69 2HG LYS 9 1HG LYS 9 0.624 6.862 -0.565 70 1HD LYS 9 2HD LYS 9 0.797 7.337 1.742 71 2HD LYS 9 1HD LYS 9 1.769 8.781 1.462 72 1HE LYS 9 2HE LYS 9 -1.019 8.639 0.348 73 2HE LYS 9 1HE LYS 9 -0.779 9.037 2.049 74 1HZ LYS 9 1HZ LYS 9 0.351 10.465 -0.293 75 2HZ LYS 9 2HZ LYS 9 0.787 10.786 1.318 76 3HZ LYS 9 3HZ LYS 9 -0.809 11.049 0.798 77 H HIS 10 H HIS 10 0.548 5.267 -1.279 78 HA HIS 10 HA HIS 10 1.389 2.932 0.271 79 1HB HIS 10 2HB HIS 10 -1.328 3.604 -0.879 80 2HB HIS 10 1HB HIS 10 -0.988 2.354 0.316 81 HD1 HIS 10 1HD HIS 10 -2.199 5.672 0.195 82 HD2 HIS 10 2HD HIS 10 0.555 3.732 2.652 83 HE1 HIS 10 1HE HIS 10 -2.014 7.065 2.304 84 HE2 HIS 10 2HE HIS 10 -0.340 5.894 3.806 85 H LEU 11 H LEU 11 1.225 3.530 -3.086 86 HA LEU 11 HA LEU 11 1.135 0.563 -3.559 87 1HB LEU 11 2HB LEU 11 -0.283 2.794 -4.918 88 2HB LEU 11 1HB LEU 11 0.389 1.558 -5.974 89 HG LEU 11 HG LEU 11 -0.765 -0.179 -4.584 90 1HD1 LEU 11 1HD1 LEU 11 -2.749 0.875 -3.231 91 2HD1 LEU 11 2HD1 LEU 11 -1.723 2.307 -3.182 92 3HD1 LEU 11 3HD1 LEU 11 -1.156 0.792 -2.491 93 1HD2 LEU 11 1HD2 LEU 11 -1.739 0.735 -6.685 94 2HD2 LEU 11 2HD2 LEU 11 -2.594 1.947 -5.730 95 3HD2 LEU 11 3HD2 LEU 11 -2.972 0.237 -5.528 96 H THR 12 H THR 12 2.545 -0.246 -5.167 97 HA THR 12 HA THR 12 4.530 1.702 -6.266 98 HB THR 12 HB THR 12 5.721 0.760 -4.418 99 HG1 THR 12 1HG THR 12 7.133 0.661 -5.994 100 1HG2 THR 12 1HG2 THR 12 4.059 -1.550 -4.960 101 2HG2 THR 12 2HG2 THR 12 5.018 -1.192 -3.526 102 3HG2 THR 12 3HG2 THR 12 5.755 -2.027 -4.890 103 H ASP 13 H ASP 13 6.088 -0.028 -7.720 104 HA ASP 13 HA ASP 13 4.091 -1.366 -9.511 105 1HB ASP 13 2HB ASP 13 5.121 0.735 -10.429 106 2HB ASP 13 1HB ASP 13 6.693 -0.060 -10.345 107 H THR 14 H THR 14 6.301 -2.229 -7.296 108 HA THR 14 HA THR 14 7.001 -4.667 -8.847 109 HB THR 14 HB THR 14 8.904 -3.059 -9.095 110 HG1 THR 14 1HG THR 14 10.455 -4.573 -8.408 111 1HG2 THR 14 1HG2 THR 14 9.233 -3.433 -6.112 112 2HG2 THR 14 2HG2 THR 14 8.506 -1.998 -6.833 113 3HG2 THR 14 3HG2 THR 14 10.189 -2.399 -7.174 114 H LYS 15 H LYS 15 7.489 -6.477 -7.498 115 HA LYS 15 HA LYS 15 6.132 -6.447 -4.935 116 1HB LYS 15 2HB LYS 15 7.945 -8.570 -6.129 117 2HB LYS 15 1HB LYS 15 6.813 -8.798 -4.796 118 1HG LYS 15 2HG LYS 15 4.925 -8.530 -6.195 119 2HG LYS 15 1HG LYS 15 5.874 -7.784 -7.480 120 1HD LYS 15 2HD LYS 15 5.219 -10.183 -7.930 121 2HD LYS 15 1HD LYS 15 6.955 -9.877 -7.998 122 1HE LYS 15 2HE LYS 15 7.348 -10.919 -5.927 123 2HE LYS 15 1HE LYS 15 5.665 -10.768 -5.426 124 1HZ LYS 15 1HZ LYS 15 5.347 -12.803 -6.199 125 2HZ LYS 15 2HZ LYS 15 6.919 -12.872 -6.843 126 3HZ LYS 15 3HZ LYS 15 5.645 -12.231 -7.768 127 H LYS 16 H LYS 16 9.422 -6.067 -6.021 128 HA LYS 16 HA LYS 16 10.364 -6.046 -3.180 129 1HB LYS 16 2HB LYS 16 12.665 -6.243 -4.299 130 2HB LYS 16 1HB LYS 16 11.631 -7.669 -4.385 131 1HG LYS 16 2HG LYS 16 10.855 -6.881 -6.650 132 2HG LYS 16 1HG LYS 16 12.068 -5.604 -6.562 133 1HD LYS 16 2HD LYS 16 13.766 -7.481 -6.124 134 2HD LYS 16 1HD LYS 16 12.502 -8.590 -6.655 135 1HE LYS 16 2HE LYS 16 12.363 -7.483 -8.813 136 2HE LYS 16 1HE LYS 16 13.498 -6.238 -8.289 137 1HZ LYS 16 1HZ LYS 16 14.287 -8.329 -9.640 138 2HZ LYS 16 2HZ LYS 16 14.339 -9.032 -8.094 139 3HZ LYS 16 3HZ LYS 16 15.259 -7.643 -8.431 140 H VAL 17 H VAL 17 9.252 -3.799 -3.364 141 HA VAL 17 HA VAL 17 10.198 -1.696 -4.956 142 HB VAL 17 HB VAL 17 9.550 -0.189 -3.105 143 1HG1 VAL 17 1HG1 VAL 17 7.782 -2.522 -3.812 144 2HG1 VAL 17 2HG1 VAL 17 7.748 -0.880 -4.445 145 3HG1 VAL 17 3HG1 VAL 17 7.202 -1.198 -2.801 146 1HG2 VAL 17 1HG2 VAL 17 10.343 -1.319 -1.171 147 2HG2 VAL 17 2HG2 VAL 17 9.495 -2.806 -1.594 148 3HG2 VAL 17 3HG2 VAL 17 8.586 -1.398 -1.049 149 H LYS 18 H LYS 18 11.566 0.153 -4.163 150 HA LYS 18 HA LYS 18 14.106 -0.956 -3.114 151 1HB LYS 18 2HB LYS 18 14.943 1.397 -3.817 152 2HB LYS 18 1HB LYS 18 14.505 0.274 -5.104 153 1HG LYS 18 2HG LYS 18 12.297 1.304 -5.302 154 2HG LYS 18 1HG LYS 18 12.651 2.376 -3.949 155 1HD LYS 18 2HD LYS 18 13.123 3.743 -5.791 156 2HD LYS 18 1HD LYS 18 14.715 3.101 -5.391 157 1HE LYS 18 2HE LYS 18 14.513 1.398 -7.123 158 2HE LYS 18 1HE LYS 18 12.858 1.899 -7.468 159 1HZ LYS 18 1HZ LYS 18 13.543 3.699 -8.598 160 2HZ LYS 18 2HZ LYS 18 14.977 2.809 -8.788 161 3HZ LYS 18 3HZ LYS 18 14.862 3.994 -7.575 162 H CYS 19 H CYS 19 12.712 -1.022 -1.038 163 HA CYS 19 HA CYS 19 11.693 0.890 0.515 164 1HB CYS 19 2HB CYS 19 13.833 -1.098 1.267 165 2HB CYS 19 1HB CYS 19 13.065 -0.064 2.471 166 H ASP 20 H ASP 20 15.202 0.704 -0.114 167 HA ASP 20 HA ASP 20 16.158 2.690 1.580 168 1HB ASP 20 2HB ASP 20 17.675 1.451 0.154 169 2HB ASP 20 1HB ASP 20 16.938 2.135 -1.295 170 H VAL 21 H VAL 21 14.544 3.118 -1.542 171 HA VAL 21 HA VAL 21 14.489 6.063 -1.081 172 HB VAL 21 HB VAL 21 13.492 4.745 -3.583 173 1HG1 VAL 21 1HG1 VAL 21 15.179 7.229 -3.278 174 2HG1 VAL 21 2HG1 VAL 21 13.435 7.272 -3.022 175 3HG1 VAL 21 3HG1 VAL 21 14.084 6.802 -4.593 176 1HG2 VAL 21 1HG2 VAL 21 15.591 3.614 -3.282 177 2HG2 VAL 21 2HG2 VAL 21 16.386 5.102 -2.770 178 3HG2 VAL 21 3HG2 VAL 21 15.877 4.907 -4.447 179 H GLU 22 H GLU 22 12.454 3.205 -1.507 180 HA GLU 22 HA GLU 22 9.929 4.462 -1.753 181 1HB GLU 22 2HB GLU 22 10.855 1.839 -1.400 182 2HB GLU 22 1HB GLU 22 9.828 2.128 0.003 183 1HG GLU 22 2HG GLU 22 8.378 1.290 -1.700 184 2HG GLU 22 1HG GLU 22 8.084 3.027 -1.636 185 H MET 23 H MET 23 12.176 4.735 0.683 186 HA MET 23 HA MET 23 10.112 5.734 2.609 187 1HB MET 23 2HB MET 23 12.653 4.183 3.184 188 2HB MET 23 1HB MET 23 11.754 5.058 4.421 189 1HG MET 23 2HG MET 23 9.705 3.673 3.477 190 2HG MET 23 1HG MET 23 10.975 2.593 2.904 191 1HE MET 23 1HE MET 23 10.961 4.642 6.650 192 2HE MET 23 2HE MET 23 9.531 3.673 6.991 193 3HE MET 23 3HE MET 23 9.588 4.662 5.536 194 H ALA 24 H ALA 24 13.553 5.901 1.651 195 HA ALA 24 HA ALA 24 14.049 8.382 3.023 196 1HB ALA 24 1HB ALA 24 15.809 6.749 2.219 197 2HB ALA 24 2HB ALA 24 16.131 8.434 1.811 198 3HB ALA 24 3HB ALA 24 15.507 7.335 0.583 199 H LYS 25 H LYS 25 11.918 7.840 0.643 200 HA LYS 25 HA LYS 25 12.361 9.698 -1.412 201 1HB LYS 25 2HB LYS 25 9.934 8.614 -0.051 202 2HB LYS 25 1HB LYS 25 9.705 10.039 -1.057 203 1HG LYS 25 2HG LYS 25 10.044 8.889 -2.992 204 2HG LYS 25 1HG LYS 25 11.365 7.941 -2.315 205 1HD LYS 25 2HD LYS 25 9.576 6.415 -2.769 206 2HD LYS 25 1HD LYS 25 9.628 6.629 -1.019 207 1HE LYS 25 2HE LYS 25 7.311 6.768 -1.794 208 2HE LYS 25 1HE LYS 25 7.838 8.346 -1.207 209 1HZ LYS 25 1HZ LYS 25 6.764 7.817 -3.659 210 2HZ LYS 25 2HZ LYS 25 8.426 7.966 -3.977 211 3HZ LYS 25 3HZ LYS 25 7.588 9.232 -3.215 212 H ALA 26 H ALA 26 10.593 11.737 -1.394 213 HA ALA 26 HA ALA 26 11.647 13.504 0.757 214 1HB ALA 26 1HB ALA 26 10.733 15.332 -0.711 215 2HB ALA 26 2HB ALA 26 10.273 14.094 -1.880 216 3HB ALA 26 3HB ALA 26 11.975 14.349 -1.490 217 H LEU 27 H LEU 27 8.844 11.750 -0.087 218 HA LEU 27 HA LEU 27 7.068 13.615 1.416 219 1HB LEU 27 2HB LEU 27 5.233 12.136 0.630 220 2HB LEU 27 1HB LEU 27 6.175 12.802 -0.699 221 HG LEU 27 HG LEU 27 7.560 10.488 -0.211 222 1HD1 LEU 27 1HD1 LEU 27 5.833 8.696 0.001 223 2HD1 LEU 27 2HD1 LEU 27 4.628 9.935 0.344 224 3HD1 LEU 27 3HD1 LEU 27 5.971 9.680 1.456 225 1HD2 LEU 27 1HD2 LEU 27 6.077 9.557 -2.125 226 2HD2 LEU 27 2HD2 LEU 27 6.960 11.052 -2.429 227 3HD2 LEU 27 3HD2 LEU 27 5.240 11.106 -2.044 228 H PHE 28 H PHE 28 9.136 11.174 2.135 229 HA PHE 28 HA PHE 28 7.441 10.247 4.430 230 1HB PHE 28 2HB PHE 28 9.319 8.759 2.627 231 2HB PHE 28 1HB PHE 28 9.219 8.260 4.313 232 HD1 PHE 28 1HD PHE 28 6.583 8.317 5.183 233 HD2 PHE 28 2HD PHE 28 7.957 7.539 1.184 234 HE1 PHE 28 1HE PHE 28 4.490 7.085 4.702 235 HE2 PHE 28 2HE PHE 28 5.859 6.308 0.707 236 HZ PHE 28 HZ PHE 28 4.126 6.079 2.466 237 H ASP 29 H ASP 29 10.665 11.193 3.322 238 HA ASP 29 HA ASP 29 12.399 12.230 4.519 239 1HB ASP 29 2HB ASP 29 10.819 12.116 7.071 240 2HB ASP 29 1HB ASP 29 11.904 13.375 6.481 241 H CYS 30 H CYS 30 12.359 9.417 4.208 242 HA CYS 30 HA CYS 30 13.271 7.446 5.122 243 1HB CYS 30 2HB CYS 30 15.265 8.908 4.994 244 2HB CYS 30 1HB CYS 30 14.912 9.520 6.610 245 H LYS 31 H LYS 31 11.030 7.383 6.301 246 HA LYS 31 HA LYS 31 10.932 8.033 9.108 247 1HB LYS 31 2HB LYS 31 9.284 5.838 7.854 248 2HB LYS 31 1HB LYS 31 8.834 6.958 9.135 249 1HG LYS 31 2HG LYS 31 9.548 8.271 6.581 250 2HG LYS 31 1HG LYS 31 8.126 7.242 6.489 251 1HD LYS 31 2HD LYS 31 8.543 9.406 8.568 252 2HD LYS 31 1HD LYS 31 7.595 9.606 7.097 253 1HE LYS 31 2HE LYS 31 6.477 7.323 8.087 254 2HE LYS 31 1HE LYS 31 6.921 8.141 9.585 255 1HZ LYS 31 1HZ LYS 31 4.738 8.822 8.931 256 2HZ LYS 31 2HZ LYS 31 5.277 9.252 7.378 257 3HZ LYS 31 3HZ LYS 31 5.791 10.137 8.734 258 H LYS 32 H LYS 32 9.801 5.124 9.502 259 HA LYS 32 HA LYS 32 12.417 3.746 9.928 260 1HB LYS 32 2HB LYS 32 11.685 3.039 12.158 261 2HB LYS 32 1HB LYS 32 11.687 4.799 12.062 262 1HG LYS 32 2HG LYS 32 9.231 4.691 11.494 263 2HG LYS 32 1HG LYS 32 9.286 2.964 11.844 264 1HD LYS 32 2HD LYS 32 10.048 5.161 13.792 265 2HD LYS 32 1HD LYS 32 8.525 4.271 13.810 266 1HE LYS 32 2HE LYS 32 10.058 2.150 13.900 267 2HE LYS 32 1HE LYS 32 11.297 3.284 14.443 268 1HZ LYS 32 1HZ LYS 32 10.118 2.346 16.315 269 2HZ LYS 32 2HZ LYS 32 8.632 2.881 15.690 270 3HZ LYS 32 3HZ LYS 32 9.796 4.007 16.202 271 H THR 33 H THR 33 8.936 3.568 9.457 272 HA THR 33 HA THR 33 9.276 0.790 8.443 273 HB THR 33 HB THR 33 8.442 0.648 10.794 274 HG1 THR 33 1HG THR 33 6.792 -0.729 10.273 275 1HG2 THR 33 1HG2 THR 33 5.984 2.065 9.745 276 2HG2 THR 33 2HG2 THR 33 7.250 2.886 10.658 277 3HG2 THR 33 3HG2 THR 33 6.323 1.586 11.408 278 H ASN 34 H ASN 34 7.892 0.334 6.694 279 HA ASN 34 HA ASN 34 5.763 2.266 6.011 280 1HB ASN 34 2HB ASN 34 8.389 2.106 4.635 281 2HB ASN 34 1HB ASN 34 6.983 2.148 3.577 282 1HD2 ASN 34 1HD2 ASN 34 7.882 4.373 2.977 283 2HD2 ASN 34 2HD2 ASN 34 7.475 5.691 3.966 284 H THR 35 H THR 35 4.326 1.449 4.402 285 HA THR 35 HA THR 35 4.769 -1.367 3.533 286 HB THR 35 HB THR 35 2.272 -0.293 4.880 287 HG1 THR 35 1HG THR 35 3.566 -2.589 5.714 288 1HG2 THR 35 1HG2 THR 35 2.853 -2.885 3.439 289 2HG2 THR 35 2HG2 THR 35 1.545 -1.743 3.130 290 3HG2 THR 35 3HG2 THR 35 1.533 -2.721 4.598 291 H PHE 36 H PHE 36 3.537 -1.914 1.612 292 HA PHE 36 HA PHE 36 2.009 0.260 0.314 293 1HB PHE 36 2HB PHE 36 4.046 -0.934 -1.487 294 2HB PHE 36 1HB PHE 36 3.427 0.710 -1.432 295 HD1 PHE 36 1HD PHE 36 5.451 -1.618 0.711 296 HD2 PHE 36 2HD PHE 36 4.906 2.374 -0.758 297 HE1 PHE 36 1HE PHE 36 7.512 -0.910 1.883 298 HE2 PHE 36 2HE PHE 36 6.966 3.088 0.420 299 HZ PHE 36 HZ PHE 36 8.271 1.443 1.735 300 H ILE 37 H ILE 37 1.270 -0.688 -1.981 301 HA ILE 37 HA ILE 37 0.669 -3.594 -1.580 302 HB ILE 37 HB ILE 37 -1.125 -1.482 -2.791 303 1HG1 ILE 37 2HG1 ILE 37 -1.870 -2.926 -0.288 304 2HG1 ILE 37 1HG1 ILE 37 -0.596 -1.725 -0.128 305 1HG2 ILE 37 1HG2 ILE 37 -2.827 -3.343 -2.587 306 2HG2 ILE 37 2HG2 ILE 37 -1.490 -4.430 -2.209 307 3HG2 ILE 37 3HG2 ILE 37 -1.560 -3.632 -3.781 308 1HD1 ILE 37 1HD1 ILE 37 -2.004 0.027 -0.535 309 2HD1 ILE 37 2HD1 ILE 37 -3.217 -1.109 0.046 310 3HD1 ILE 37 3HD1 ILE 37 -2.986 -0.882 -1.686 311 H TYR 38 H TYR 38 1.152 -4.915 -3.269 312 HA TYR 38 HA TYR 38 2.222 -3.624 -5.731 313 1HB TYR 38 2HB TYR 38 3.590 -5.389 -4.704 314 2HB TYR 38 1HB TYR 38 2.243 -6.520 -4.825 315 HD1 TYR 38 1HD TYR 38 4.056 -4.105 -7.065 316 HD2 TYR 38 2HD TYR 38 2.296 -7.999 -6.620 317 HE1 TYR 38 1HE TYR 38 4.727 -4.675 -9.383 318 HE2 TYR 38 2HE TYR 38 2.969 -8.567 -8.937 319 HH TYR 38 HH TYR 38 5.225 -6.943 -10.646 320 H ALA 39 H ALA 39 0.411 -3.045 -6.952 321 HA ALA 39 HA ALA 39 -1.058 -5.258 -8.199 322 1HB ALA 39 1HB ALA 39 -3.293 -4.202 -7.636 323 2HB ALA 39 2HB ALA 39 -2.446 -3.213 -6.446 324 3HB ALA 39 3HB ALA 39 -2.476 -4.968 -6.273 325 H LEU 40 H LEU 40 -2.231 -4.529 -10.107 326 HA LEU 40 HA LEU 40 -1.062 -2.057 -11.215 327 1HB LEU 40 2HB LEU 40 -1.360 -2.999 -13.282 328 2HB LEU 40 1HB LEU 40 -1.393 -4.477 -12.329 329 HG LEU 40 HG LEU 40 -4.011 -3.873 -12.194 330 1HD1 LEU 40 1HD1 LEU 40 -3.245 -2.882 -14.943 331 2HD1 LEU 40 2HD1 LEU 40 -3.485 -1.775 -13.598 332 3HD1 LEU 40 3HD1 LEU 40 -4.814 -2.787 -14.151 333 1HD2 LEU 40 1HD2 LEU 40 -4.297 -5.329 -14.226 334 2HD2 LEU 40 2HD2 LEU 40 -3.162 -5.979 -13.044 335 3HD2 LEU 40 3HD2 LEU 40 -2.560 -5.195 -14.505 336 HA PRO 41 HA PRO 41 -4.297 0.831 -10.551 337 1HB PRO 41 2HB PRO 41 -4.591 0.960 -13.520 338 2HB PRO 41 1HB PRO 41 -4.369 2.273 -12.351 339 1HG PRO 41 2HG PRO 41 -2.387 1.242 -13.948 340 2HG PRO 41 1HG PRO 41 -2.118 2.128 -12.442 341 1HD PRO 41 2HD PRO 41 -1.593 -0.669 -12.982 342 2HD PRO 41 1HD PRO 41 -1.250 0.246 -11.500 343 H GLY 42 H GLY 42 -5.098 -1.156 -13.424 344 1HA GLY 42 2HA GLY 42 -7.890 -1.050 -13.212 345 2HA GLY 42 1HA GLY 42 -7.028 -2.429 -13.887 346 H ARG 43 H ARG 43 -5.725 -3.456 -11.704 347 HA ARG 43 HA ARG 43 -7.786 -4.895 -10.354 348 1HB ARG 43 2HB ARG 43 -5.361 -5.611 -10.742 349 2HB ARG 43 1HB ARG 43 -4.949 -4.593 -9.362 350 1HG ARG 43 2HG ARG 43 -6.444 -5.865 -7.918 351 2HG ARG 43 1HG ARG 43 -6.994 -6.829 -9.288 352 1HD ARG 43 2HD ARG 43 -4.537 -7.493 -9.609 353 2HD ARG 43 1HD ARG 43 -4.257 -6.808 -8.009 354 HE ARG 43 HE ARG 43 -6.360 -8.524 -7.573 355 1HH1 ARG 43 1HH2 ARG 43 -3.290 -8.760 -9.124 356 2HH1 ARG 43 2HH2 ARG 43 -3.084 -10.439 -8.754 357 1HH2 ARG 43 1HH1 ARG 43 -6.109 -10.716 -7.082 358 2HH2 ARG 43 2HH1 ARG 43 -4.680 -11.547 -7.599 359 H VAL 44 H VAL 44 -5.981 -1.983 -9.506 360 HA VAL 44 HA VAL 44 -6.846 -1.973 -6.732 361 HB VAL 44 HB VAL 44 -5.827 0.326 -8.426 362 1HG1 VAL 44 1HG1 VAL 44 -6.778 1.222 -6.446 363 2HG1 VAL 44 2HG1 VAL 44 -5.060 1.076 -6.079 364 3HG1 VAL 44 3HG1 VAL 44 -6.197 -0.120 -5.461 365 1HG2 VAL 44 1HG2 VAL 44 -4.349 -1.760 -8.267 366 2HG2 VAL 44 2HG2 VAL 44 -4.245 -1.433 -6.537 367 3HG2 VAL 44 3HG2 VAL 44 -3.626 -0.257 -7.697 368 H LYS 45 H LYS 45 -7.720 0.128 -9.506 369 HA LYS 45 HA LYS 45 -9.952 1.330 -8.167 370 1HB LYS 45 2HB LYS 45 -10.612 2.143 -10.360 371 2HB LYS 45 1HB LYS 45 -8.855 2.232 -10.244 372 1HG LYS 45 2HG LYS 45 -8.852 -0.116 -11.320 373 2HG LYS 45 1HG LYS 45 -10.532 0.218 -11.741 374 1HD LYS 45 2HD LYS 45 -8.103 1.847 -12.544 375 2HD LYS 45 1HD LYS 45 -9.127 0.883 -13.609 376 1HE LYS 45 2HE LYS 45 -11.070 2.363 -12.815 377 2HE LYS 45 1HE LYS 45 -9.835 3.434 -12.154 378 1HZ LYS 45 1HZ LYS 45 -10.694 3.164 -14.828 379 2HZ LYS 45 2HZ LYS 45 -9.040 2.790 -14.728 380 3HZ LYS 45 3HZ LYS 45 -9.611 4.289 -14.168 381 H ALA 46 H ALA 46 -9.480 -1.738 -9.638 382 HA ALA 46 HA ALA 46 -12.248 -2.331 -10.248 383 1HB ALA 46 1HB ALA 46 -11.326 -4.747 -10.163 384 2HB ALA 46 2HB ALA 46 -9.758 -3.997 -9.886 385 3HB ALA 46 3HB ALA 46 -10.641 -3.666 -11.375 386 H LEU 47 H LEU 47 -10.115 -2.953 -7.462 387 HA LEU 47 HA LEU 47 -11.983 -4.526 -5.974 388 1HB LEU 47 2HB LEU 47 -9.639 -2.793 -5.185 389 2HB LEU 47 1HB LEU 47 -10.611 -3.622 -3.971 390 HG LEU 47 HG LEU 47 -9.576 -5.191 -6.316 391 1HD1 LEU 47 1HD1 LEU 47 -7.614 -3.954 -5.469 392 2HD1 LEU 47 2HD1 LEU 47 -7.499 -5.668 -5.069 393 3HD1 LEU 47 3HD1 LEU 47 -7.972 -4.504 -3.833 394 1HD2 LEU 47 1HD2 LEU 47 -11.127 -6.257 -4.738 395 2HD2 LEU 47 2HD2 LEU 47 -10.088 -5.808 -3.386 396 3HD2 LEU 47 3HD2 LEU 47 -9.525 -6.977 -4.579 397 H CYS 48 H CYS 48 -11.862 -1.138 -6.658 398 HA CYS 48 HA CYS 48 -13.899 -0.602 -4.527 399 1HB CYS 48 2HB CYS 48 -11.809 1.073 -5.868 400 2HB CYS 48 1HB CYS 48 -13.291 1.867 -5.341 401 H LYS 49 H LYS 49 -14.346 -1.871 -7.243 402 HA LYS 49 HA LYS 49 -15.828 0.218 -8.695 403 1HB LYS 49 2HB LYS 49 -14.898 -1.210 -10.257 404 2HB LYS 49 1HB LYS 49 -15.006 -2.611 -9.193 405 1HG LYS 49 2HG LYS 49 -17.303 -2.929 -9.651 406 2HG LYS 49 1HG LYS 49 -17.475 -1.313 -10.337 407 1HD LYS 49 2HD LYS 49 -15.999 -1.958 -12.216 408 2HD LYS 49 1HD LYS 49 -15.857 -3.580 -11.538 409 1HE LYS 49 2HE LYS 49 -17.565 -3.639 -13.252 410 2HE LYS 49 1HE LYS 49 -18.362 -3.784 -11.686 411 1HZ LYS 49 1HZ LYS 49 -19.604 -2.175 -12.743 412 2HZ LYS 49 2HZ LYS 49 -18.259 -1.471 -13.507 413 3HZ LYS 49 3HZ LYS 49 -18.516 -1.234 -11.844 414 H ASN 50 H ASN 50 -17.980 0.570 -8.432 415 HA ASN 50 HA ASN 50 -20.239 0.148 -7.916 416 1HB ASN 50 2HB ASN 50 -19.453 -2.317 -8.583 417 2HB ASN 50 1HB ASN 50 -19.655 -2.589 -6.852 418 1HD2 ASN 50 1HD2 ASN 50 -21.333 -2.862 -9.688 419 2HD2 ASN 50 2HD2 ASN 50 -22.912 -2.615 -9.115 420 H ILE 51 H ILE 51 -18.234 1.210 -6.048 421 HA ILE 51 HA ILE 51 -19.047 0.130 -3.422 422 HB ILE 51 HB ILE 51 -17.207 2.417 -4.181 423 1HG1 ILE 51 2HG1 ILE 51 -16.384 0.196 -4.851 424 2HG1 ILE 51 1HG1 ILE 51 -15.422 0.840 -3.524 425 1HG2 ILE 51 1HG2 ILE 51 -17.881 2.946 -2.002 426 2HG2 ILE 51 2HG2 ILE 51 -16.437 1.975 -1.733 427 3HG2 ILE 51 3HG2 ILE 51 -18.032 1.251 -1.535 428 1HD1 ILE 51 1HD1 ILE 51 -17.344 -1.447 -3.547 429 2HD1 ILE 51 2HD1 ILE 51 -17.241 -0.493 -2.069 430 3HD1 ILE 51 3HD1 ILE 51 -15.804 -1.286 -2.707 431 H ARG 52 H ARG 52 -19.564 1.990 -1.750 432 HA ARG 52 HA ARG 52 -21.742 3.642 -2.963 433 1HB ARG 52 2HB ARG 52 -22.421 1.921 -1.283 434 2HB ARG 52 1HB ARG 52 -21.425 2.749 -0.086 435 1HG ARG 52 2HG ARG 52 -22.751 4.802 -0.382 436 2HG ARG 52 1HG ARG 52 -23.741 3.993 -1.598 437 1HD ARG 52 2HD ARG 52 -24.327 2.269 0.158 438 2HD ARG 52 1HD ARG 52 -23.521 3.299 1.342 439 HE ARG 52 HE ARG 52 -25.357 4.792 1.224 440 1HH1 ARG 52 1HH2 ARG 52 -25.351 2.484 -1.337 441 2HH1 ARG 52 2HH2 ARG 52 -26.934 2.907 -1.901 442 1HH2 ARG 52 1HH1 ARG 52 -27.423 5.357 0.503 443 2HH2 ARG 52 2HH1 ARG 52 -28.107 4.534 -0.859 444 H ASP 53 H ASP 53 -20.101 3.948 0.161 445 HA ASP 53 HA ASP 53 -18.956 6.564 -0.671 446 1HB ASP 53 2HB ASP 53 -21.328 6.777 0.373 447 2HB ASP 53 1HB ASP 53 -20.528 6.365 1.890 448 H ASN 54 H ASN 54 -18.465 7.238 2.104 449 HA ASN 54 HA ASN 54 -15.913 5.988 2.418 450 1HB ASN 54 2HB ASN 54 -16.037 7.028 4.756 451 2HB ASN 54 1HB ASN 54 -16.200 8.143 3.398 452 1HD2 ASN 54 1HD2 ASN 54 -18.396 8.950 2.898 453 2HD2 ASN 54 2HD2 ASN 54 -19.623 8.885 4.070 454 H THR 55 H THR 55 -15.872 3.800 2.703 455 HA THR 55 HA THR 55 -17.045 2.737 5.200 456 HB THR 55 HB THR 55 -17.473 1.083 2.738 457 HG1 THR 55 1HG THR 55 -19.598 2.156 2.669 458 1HG2 THR 55 1HG2 THR 55 -19.056 1.516 5.288 459 2HG2 THR 55 2HG2 THR 55 -17.937 0.185 4.988 460 3HG2 THR 55 3HG2 THR 55 -19.419 0.321 4.042 461 H ASP 56 H ASP 56 -16.151 0.510 5.635 462 HA ASP 56 HA ASP 56 -13.343 0.378 4.660 463 1HB ASP 56 2HB ASP 56 -14.731 -0.959 7.001 464 2HB ASP 56 1HB ASP 56 -13.032 -1.185 6.585 465 H VAL 57 H VAL 57 -12.887 -1.064 3.082 466 HA VAL 57 HA VAL 57 -14.747 -3.358 2.669 467 HB VAL 57 HB VAL 57 -13.828 -3.495 0.425 468 1HG1 VAL 57 1HG1 VAL 57 -14.631 -1.406 -0.434 469 2HG1 VAL 57 2HG1 VAL 57 -14.227 -0.563 1.062 470 3HG1 VAL 57 3HG1 VAL 57 -15.556 -1.721 1.036 471 1HG2 VAL 57 1HG2 VAL 57 -11.905 -1.378 1.429 472 2HG2 VAL 57 2HG2 VAL 57 -12.102 -1.785 -0.273 473 3HG2 VAL 57 3HG2 VAL 57 -11.496 -2.995 0.859 474 H LEU 58 H LEU 58 -13.599 -5.414 1.910 475 HA LEU 58 HA LEU 58 -10.953 -5.790 3.242 476 1HB LEU 58 2HB LEU 58 -13.292 -6.545 4.458 477 2HB LEU 58 1HB LEU 58 -12.912 -8.005 3.554 478 HG LEU 58 HG LEU 58 -11.944 -8.097 5.808 479 1HD1 LEU 58 1HD1 LEU 58 -10.772 -9.063 3.766 480 2HD1 LEU 58 2HD1 LEU 58 -9.754 -8.783 5.177 481 3HD1 LEU 58 3HD1 LEU 58 -9.711 -7.656 3.822 482 1HD2 LEU 58 1HD2 LEU 58 -11.482 -5.373 5.437 483 2HD2 LEU 58 2HD2 LEU 58 -9.867 -6.080 5.370 484 3HD2 LEU 58 3HD2 LEU 58 -10.890 -6.351 6.776 485 H SER 59 H SER 59 -9.571 -6.955 1.919 486 HA SER 59 HA SER 59 -10.314 -7.725 -0.698 487 1HB SER 59 2HB SER 59 -8.035 -7.719 -0.639 488 2HB SER 59 1HB SER 59 -7.979 -8.195 1.051 489 HG SER 59 HG SER 59 -8.802 -10.311 0.098 490 H ARG 60 H ARG 60 -10.799 -9.795 -1.617 491 HA ARG 60 HA ARG 60 -12.381 -11.484 0.196 492 1HB ARG 60 2HB ARG 60 -11.943 -11.451 -2.793 493 2HB ARG 60 1HB ARG 60 -12.862 -12.726 -1.994 494 1HG ARG 60 2HG ARG 60 -14.423 -11.091 -1.080 495 2HG ARG 60 1HG ARG 60 -13.466 -9.766 -1.744 496 1HD ARG 60 2HD ARG 60 -14.606 -11.937 -3.506 497 2HD ARG 60 1HD ARG 60 -15.528 -10.492 -3.098 498 HE ARG 60 HE ARG 60 -13.297 -10.616 -4.955 499 1HH1 ARG 60 1HH2 ARG 60 -15.025 -8.708 -2.663 500 2HH1 ARG 60 2HH2 ARG 60 -14.570 -7.197 -3.378 501 1HH2 ARG 60 1HH1 ARG 60 -12.692 -8.655 -5.902 502 2HH2 ARG 60 2HH1 ARG 60 -13.249 -7.166 -5.212 503 H ASP 61 H ASP 61 -9.177 -11.413 -0.315 504 HA ASP 61 HA ASP 61 -8.847 -14.186 0.487 505 1HB ASP 61 2HB ASP 61 -7.312 -14.677 -1.531 506 2HB ASP 61 1HB ASP 61 -9.053 -14.740 -1.812 507 H ALA 62 H ALA 62 -6.417 -12.603 -1.480 508 HA ALA 62 HA ALA 62 -5.131 -11.386 0.856 509 1HB ALA 62 1HB ALA 62 -4.031 -13.853 -0.491 510 2HB ALA 62 2HB ALA 62 -4.329 -13.597 1.227 511 3HB ALA 62 3HB ALA 62 -3.007 -12.749 0.426 512 H PHE 63 H PHE 63 -2.905 -10.492 0.158 513 HA PHE 63 HA PHE 63 -2.657 -9.956 -2.728 514 1HB PHE 63 2HB PHE 63 -3.519 -7.904 -0.704 515 2HB PHE 63 1HB PHE 63 -2.485 -7.404 -2.043 516 HD1 PHE 63 1HD PHE 63 -5.758 -8.904 -1.154 517 HD2 PHE 63 2HD PHE 63 -3.307 -7.311 -4.300 518 HE1 PHE 63 1HE PHE 63 -7.725 -8.861 -2.665 519 HE2 PHE 63 2HE PHE 63 -5.273 -7.267 -5.811 520 HZ PHE 63 HZ PHE 63 -7.481 -8.042 -4.993 521 H LEU 64 H LEU 64 -0.518 -9.589 -3.250 522 HA LEU 64 HA LEU 64 1.445 -9.949 -1.107 523 1HB LEU 64 2HB LEU 64 1.486 -10.904 -3.540 524 2HB LEU 64 1HB LEU 64 2.114 -9.319 -3.980 525 HG LEU 64 HG LEU 64 3.401 -10.730 -1.665 526 1HD1 LEU 64 1HD1 LEU 64 3.643 -11.534 -4.564 527 2HD1 LEU 64 2HD1 LEU 64 3.393 -12.568 -3.157 528 3HD1 LEU 64 3HD1 LEU 64 4.959 -11.799 -3.419 529 1HD2 LEU 64 1HD2 LEU 64 5.406 -9.632 -2.634 530 2HD2 LEU 64 2HD2 LEU 64 4.119 -8.468 -2.324 531 3HD2 LEU 64 3HD2 LEU 64 4.420 -9.030 -3.967 532 H LEU 65 H LEU 65 2.020 -8.176 0.082 533 HA LEU 65 HA LEU 65 2.385 -5.608 -1.403 534 1HB LEU 65 2HB LEU 65 2.115 -5.007 1.344 535 2HB LEU 65 1HB LEU 65 0.980 -4.644 0.060 536 HG LEU 65 HG LEU 65 0.977 -7.368 1.317 537 1HD1 LEU 65 1HD1 LEU 65 0.852 -5.848 3.199 538 2HD1 LEU 65 2HD1 LEU 65 -0.779 -6.434 2.872 539 3HD1 LEU 65 3HD1 LEU 65 -0.299 -4.819 2.350 540 1HD2 LEU 65 1HD2 LEU 65 -1.394 -7.241 0.619 541 2HD2 LEU 65 2HD2 LEU 65 -0.335 -6.921 -0.751 542 3HD2 LEU 65 3HD2 LEU 65 -1.147 -5.587 0.063 543 HA PRO 66 HA PRO 66 6.575 -6.026 0.124 544 1HB PRO 66 2HB PRO 66 7.495 -3.574 -0.674 545 2HB PRO 66 1HB PRO 66 7.271 -4.933 -1.791 546 1HG PRO 66 2HG PRO 66 5.570 -2.545 -1.359 547 2HG PRO 66 1HG PRO 66 5.897 -3.441 -2.846 548 1HD PRO 66 2HD PRO 66 3.573 -3.679 -1.357 549 2HD PRO 66 1HD PRO 66 4.182 -4.913 -2.484 550 H GLN 67 H GLN 67 7.834 -5.095 1.928 551 HA GLN 67 HA GLN 67 6.551 -2.839 3.368 552 1HB GLN 67 2HB GLN 67 5.593 -5.081 4.166 553 2HB GLN 67 1HB GLN 67 7.197 -5.405 4.826 554 1HG GLN 67 2HG GLN 67 7.057 -3.239 6.081 555 2HG GLN 67 1HG GLN 67 5.393 -3.071 5.520 556 1HE2 GLN 67 1HE2 GLN 67 4.103 -3.558 7.316 557 2HE2 GLN 67 2HE2 GLN 67 4.291 -4.936 8.291 558 H CYS 68 H CYS 68 8.067 -1.513 4.234 559 HA CYS 68 HA CYS 68 10.894 -2.481 4.256 560 1HB CYS 68 2HB CYS 68 9.859 0.351 4.523 561 2HB CYS 68 1HB CYS 68 11.518 -0.148 4.196 562 H ASP 69 H ASP 69 11.902 -2.813 6.201 563 HA ASP 69 HA ASP 69 10.607 -1.653 8.651 564 1HB ASP 69 2HB ASP 69 10.217 -4.094 8.470 565 2HB ASP 69 1HB ASP 69 11.961 -4.355 8.391 566 H ARG 70 H ARG 70 11.958 -0.360 9.788 567 HA ARG 70 HA ARG 70 14.834 -0.320 9.119 568 1HB ARG 70 2HB ARG 70 13.529 1.798 9.391 569 2HB ARG 70 1HB ARG 70 13.290 1.393 11.090 570 1HG ARG 70 2HG ARG 70 15.619 1.548 11.561 571 2HG ARG 70 1HG ARG 70 16.041 1.551 9.848 572 1HD ARG 70 2HD ARG 70 16.227 3.822 10.628 573 2HD ARG 70 1HD ARG 70 14.772 3.731 9.636 574 HE ARG 70 HE ARG 70 13.867 3.240 12.216 575 1HH1 ARG 70 1HH2 ARG 70 15.711 5.670 10.607 576 2HH1 ARG 70 2HH2 ARG 70 15.184 6.948 11.651 577 1HH2 ARG 70 1HH1 ARG 70 13.170 4.895 13.588 578 2HH2 ARG 70 2HH1 ARG 70 13.746 6.510 13.338 579 H ILE 71 H ILE 71 16.460 -0.388 10.888 580 HA ILE 71 HA ILE 71 15.715 -1.398 13.498 581 HB ILE 71 HB ILE 71 15.339 -3.422 12.073 582 1HG1 ILE 71 2HG1 ILE 71 17.739 -3.691 13.907 583 2HG1 ILE 71 1HG1 ILE 71 16.080 -3.530 14.484 584 1HG2 ILE 71 1HG2 ILE 71 17.221 -2.777 10.469 585 2HG2 ILE 71 2HG2 ILE 71 17.162 -4.474 10.941 586 3HG2 ILE 71 3HG2 ILE 71 18.339 -3.392 11.686 587 1HD1 ILE 71 1HD1 ILE 71 16.611 -5.889 14.410 588 2HD1 ILE 71 2HD1 ILE 71 17.202 -5.750 12.754 589 3HD1 ILE 71 3HD1 ILE 71 15.483 -5.547 13.097 590 H LYS 72 H LYS 72 18.188 -0.777 11.068 591 HA LYS 72 HA LYS 72 20.046 -0.046 13.271 592 1HB LYS 72 2HB LYS 72 20.438 -2.447 12.357 593 2HB LYS 72 1HB LYS 72 21.048 -1.642 10.913 594 1HG LYS 72 2HG LYS 72 22.765 -0.516 12.171 595 2HG LYS 72 1HG LYS 72 22.063 -1.037 13.703 596 1HD LYS 72 2HD LYS 72 22.475 -3.417 13.005 597 2HD LYS 72 1HD LYS 72 23.340 -2.801 11.596 598 1HE LYS 72 2HE LYS 72 24.859 -1.545 13.140 599 2HE LYS 72 1HE LYS 72 24.050 -2.318 14.504 600 1HZ LYS 72 1HZ LYS 72 25.349 -3.806 12.291 601 2HZ LYS 72 2HZ LYS 72 24.732 -4.449 13.736 602 3HZ LYS 72 3HZ LYS 72 26.109 -3.454 13.766 603 H LEU 73 H LEU 73 22.050 1.091 12.244 604 HA LEU 73 HA LEU 73 22.854 2.900 10.995 605 1HB LEU 73 2HB LEU 73 20.953 2.034 8.803 606 2HB LEU 73 1HB LEU 73 22.518 2.823 8.636 607 HG LEU 73 HG LEU 73 22.071 0.011 9.663 608 1HD1 LEU 73 1HD1 LEU 73 23.062 1.160 7.052 609 2HD1 LEU 73 2HD1 LEU 73 21.780 -0.023 7.306 610 3HD1 LEU 73 3HD1 LEU 73 23.464 -0.482 7.556 611 1HD2 LEU 73 1HD2 LEU 73 24.532 1.740 9.346 612 2HD2 LEU 73 2HD2 LEU 73 24.628 -0.018 9.420 613 3HD2 LEU 73 3HD2 LEU 73 23.985 0.886 10.789 614 HA PRO 74 HA PRO 74 19.676 6.004 11.325 615 1HB PRO 74 2HB PRO 74 20.650 8.052 9.863 616 2HB PRO 74 1HB PRO 74 21.490 7.450 11.304 617 1HG PRO 74 2HG PRO 74 22.182 7.126 8.459 618 2HG PRO 74 1HG PRO 74 23.223 7.076 9.889 619 1HD PRO 74 2HD PRO 74 22.131 4.848 8.425 620 2HD PRO 74 1HD PRO 74 23.165 4.794 9.870 621 H CYS 75 H CYS 75 20.104 4.644 8.233 622 HA CYS 75 HA CYS 75 17.379 5.330 7.481 623 1HB CYS 75 2HB CYS 75 19.708 6.793 6.341 624 2HB CYS 75 1HB CYS 75 18.447 6.305 5.211 625 H HIS 76 H HIS 76 17.624 2.922 7.634 626 HA HIS 76 HA HIS 76 18.101 1.814 4.951 627 1HB HIS 76 2HB HIS 76 20.329 1.643 6.046 628 2HB HIS 76 1HB HIS 76 19.589 0.751 7.376 629 HD1 HIS 76 1HD HIS 76 19.230 -1.728 7.051 630 HD2 HIS 76 2HD HIS 76 20.177 0.208 3.479 631 HE1 HIS 76 1HE HIS 76 19.565 -3.546 5.316 632 HE2 HIS 76 2HE HIS 76 20.142 -2.377 3.139 633 H TYR 77 H TYR 77 16.778 -0.014 4.622 634 HA TYR 77 HA TYR 77 15.356 -1.084 7.019 635 1HB TYR 77 2HB TYR 77 13.758 -0.710 4.533 636 2HB TYR 77 1HB TYR 77 13.252 -0.612 6.218 637 HD1 TYR 77 1HD TYR 77 12.934 1.487 7.209 638 HD2 TYR 77 2HD TYR 77 15.383 1.164 3.696 639 HE1 TYR 77 1HE TYR 77 13.134 3.957 7.122 640 HE2 TYR 77 2HE TYR 77 15.581 3.636 3.608 641 HH TYR 77 HH TYR 77 14.190 5.681 6.152 642 H LYS 78 H LYS 78 14.108 -3.108 6.430 643 HA LYS 78 HA LYS 78 15.725 -4.732 4.510 644 1HB LYS 78 2HB LYS 78 13.948 -5.660 6.791 645 2HB LYS 78 1HB LYS 78 14.993 -6.679 5.803 646 1HG LYS 78 2HG LYS 78 16.105 -4.347 7.368 647 2HG LYS 78 1HG LYS 78 15.894 -5.931 8.111 648 1HD LYS 78 2HD LYS 78 17.241 -6.899 6.191 649 2HD LYS 78 1HD LYS 78 17.611 -5.242 5.713 650 1HE LYS 78 2HE LYS 78 18.225 -6.470 8.417 651 2HE LYS 78 1HE LYS 78 19.400 -6.171 7.136 652 1HZ LYS 78 1HZ LYS 78 19.534 -4.349 8.594 653 2HZ LYS 78 2HZ LYS 78 17.846 -4.179 8.683 654 3HZ LYS 78 3HZ LYS 78 18.670 -3.785 7.249 655 H LEU 79 H LEU 79 14.588 -6.096 3.031 656 HA LEU 79 HA LEU 79 11.916 -5.061 2.319 657 1HB LEU 79 2HB LEU 79 14.057 -5.772 0.788 658 2HB LEU 79 1HB LEU 79 13.119 -7.263 0.725 659 HG LEU 79 HG LEU 79 12.034 -4.502 0.080 660 1HD1 LEU 79 1HD1 LEU 79 12.484 -6.762 -1.870 661 2HD1 LEU 79 2HD1 LEU 79 13.757 -5.592 -1.523 662 3HD1 LEU 79 3HD1 LEU 79 12.226 -5.050 -2.209 663 1HD2 LEU 79 1HD2 LEU 79 10.135 -5.898 -0.857 664 2HD2 LEU 79 2HD2 LEU 79 10.277 -5.939 0.900 665 3HD2 LEU 79 3HD2 LEU 79 10.861 -7.295 -0.063 666 H SER 80 H SER 80 10.088 -6.098 2.916 667 HA SER 80 HA SER 80 10.117 -9.047 3.260 668 1HB SER 80 2HB SER 80 10.492 -8.434 5.517 669 2HB SER 80 1HB SER 80 9.441 -7.026 5.398 670 HG SER 80 HG SER 80 8.771 -9.344 6.296 671 H SER 81 H SER 81 8.424 -9.762 2.058 672 HA SER 81 HA SER 81 5.933 -8.098 1.993 673 1HB SER 81 2HB SER 81 7.486 -8.160 -0.137 674 2HB SER 81 1HB SER 81 6.765 -9.749 -0.375 675 HG SER 81 HG SER 81 4.812 -8.838 -0.610 676 H SER 82 H SER 82 3.966 -9.358 1.599 677 HA SER 82 HA SER 82 4.101 -12.275 1.660 678 1HB SER 82 2HB SER 82 4.416 -12.152 3.978 679 2HB SER 82 1HB SER 82 3.464 -10.678 4.128 680 HG SER 82 HG SER 82 2.656 -13.344 3.950 681 H THR 83 H THR 83 1.884 -13.215 1.640 682 HA THR 83 HA THR 83 0.015 -11.330 0.317 683 HB THR 83 HB THR 83 -0.938 -13.849 -0.147 684 HG1 THR 83 1HG THR 83 1.304 -14.774 -0.768 685 1HG2 THR 83 1HG2 THR 83 1.212 -12.347 -1.653 686 2HG2 THR 83 2HG2 THR 83 -0.529 -12.153 -1.853 687 3HG2 THR 83 3HG2 THR 83 0.251 -13.663 -2.328 688 H ASN 84 H ASN 84 -1.675 -10.662 1.533 689 HA ASN 84 HA ASN 84 -3.185 -12.578 3.154 690 1HB ASN 84 2HB ASN 84 -2.962 -11.143 5.241 691 2HB ASN 84 1HB ASN 84 -1.522 -12.066 4.811 692 1HD2 ASN 84 1HD2 ASN 84 -2.962 -8.791 4.553 693 2HD2 ASN 84 2HD2 ASN 84 -1.478 -7.981 4.409 694 H THR 85 H THR 85 -5.248 -11.628 3.878 695 HA THR 85 HA THR 85 -6.324 -9.747 2.010 696 HB THR 85 HB THR 85 -7.805 -9.900 4.531 697 HG1 THR 85 1HG THR 85 -7.843 -12.017 4.803 698 1HG2 THR 85 1HG2 THR 85 -8.269 -10.851 1.696 699 2HG2 THR 85 2HG2 THR 85 -8.937 -9.417 2.474 700 3HG2 THR 85 3HG2 THR 85 -9.464 -11.019 2.980 701 H ILE 86 H ILE 86 -7.328 -7.604 2.738 702 HA ILE 86 HA ILE 86 -5.906 -6.330 4.995 703 HB ILE 86 HB ILE 86 -4.583 -4.928 3.772 704 1HG1 ILE 86 2HG1 ILE 86 -6.487 -3.655 2.850 705 2HG1 ILE 86 1HG1 ILE 86 -5.244 -3.892 1.630 706 1HG2 ILE 86 1HG2 ILE 86 -3.869 -5.879 1.592 707 2HG2 ILE 86 2HG2 ILE 86 -5.255 -6.968 1.630 708 3HG2 ILE 86 3HG2 ILE 86 -3.987 -7.108 2.850 709 1HD1 ILE 86 1HD1 ILE 86 -7.076 -6.119 1.548 710 2HD1 ILE 86 2HD1 ILE 86 -6.697 -4.953 0.285 711 3HD1 ILE 86 3HD1 ILE 86 -7.976 -4.609 1.444 712 H CYS 87 H CYS 87 -6.851 -4.233 5.554 713 HA CYS 87 HA CYS 87 -9.661 -3.952 4.555 714 1HB CYS 87 2HB CYS 87 -9.154 -4.605 7.041 715 2HB CYS 87 1HB CYS 87 -8.687 -2.919 7.214 716 H ILE 88 H ILE 88 -10.094 -2.004 3.571 717 HA ILE 88 HA ILE 88 -8.348 0.316 4.209 718 HB ILE 88 HB ILE 88 -7.153 -0.215 2.330 719 1HG1 ILE 88 2HG1 ILE 88 -9.586 0.743 0.815 720 2HG1 ILE 88 1HG1 ILE 88 -8.611 1.833 1.794 721 1HG2 ILE 88 1HG2 ILE 88 -9.625 -1.643 1.313 722 2HG2 ILE 88 2HG2 ILE 88 -8.190 -2.389 2.009 723 3HG2 ILE 88 3HG2 ILE 88 -8.088 -1.574 0.451 724 1HD1 ILE 88 1HD1 ILE 88 -8.028 0.682 -0.834 725 2HD1 ILE 88 2HD1 ILE 88 -6.698 0.485 0.303 726 3HD1 ILE 88 3HD1 ILE 88 -7.327 2.093 -0.047 727 H THR 89 H THR 89 -9.336 2.366 3.621 728 HA THR 89 HA THR 89 -12.298 2.151 3.538 729 HB THR 89 HB THR 89 -10.373 4.309 4.363 730 HG1 THR 89 1HG THR 89 -12.407 2.760 5.512 731 1HG2 THR 89 1HG2 THR 89 -12.526 5.671 4.771 732 2HG2 THR 89 2HG2 THR 89 -13.277 4.586 3.603 733 3HG2 THR 89 3HG2 THR 89 -11.916 5.597 3.119 734 H CYS 90 H CYS 90 -13.364 2.538 1.710 735 HA CYS 90 HA CYS 90 -12.011 4.068 -0.482 736 1HB CYS 90 2HB CYS 90 -12.644 1.508 -0.710 737 2HB CYS 90 1HB CYS 90 -14.264 2.142 -0.984 738 H VAL 91 H VAL 91 -13.827 5.037 -2.013 739 HA VAL 91 HA VAL 91 -16.156 5.958 -0.396 740 HB VAL 91 HB VAL 91 -14.423 7.825 -2.019 741 1HG1 VAL 91 1HG1 VAL 91 -16.952 8.265 -1.449 742 2HG1 VAL 91 2HG1 VAL 91 -15.775 9.545 -1.168 743 3HG1 VAL 91 3HG1 VAL 91 -16.347 8.562 0.180 744 1HG2 VAL 91 1HG2 VAL 91 -13.661 8.632 0.236 745 2HG2 VAL 91 2HG2 VAL 91 -13.107 7.004 -0.159 746 3HG2 VAL 91 3HG2 VAL 91 -14.458 7.231 0.952 747 H ASN 92 H ASN 92 -15.835 7.859 -3.065 748 HA ASN 92 HA ASN 92 -18.094 6.689 -4.405 749 1HB ASN 92 2HB ASN 92 -16.135 8.862 -5.177 750 2HB ASN 92 1HB ASN 92 -17.473 8.378 -6.220 751 1HD2 ASN 92 1HD2 ASN 92 -18.502 7.879 -3.074 752 2HD2 ASN 92 2HD2 ASN 92 -19.285 9.362 -2.809 753 H GLN 93 H GLN 93 -16.064 4.773 -4.133 754 HA GLN 93 HA GLN 93 -15.306 2.988 -5.469 755 1HB GLN 93 2HB GLN 93 -15.670 4.672 -7.950 756 2HB GLN 93 1HB GLN 93 -15.682 2.919 -7.799 757 1HG GLN 93 2HG GLN 93 -17.747 3.589 -6.125 758 2HG GLN 93 1HG GLN 93 -17.877 4.856 -7.343 759 1HE2 GLN 93 1HE2 GLN 93 -16.854 3.226 -9.567 760 2HE2 GLN 93 2HE2 GLN 93 -18.055 2.081 -9.926 761 H LEU 94 H LEU 94 -13.635 4.773 -4.219 762 HA LEU 94 HA LEU 94 -11.253 4.600 -5.928 763 1HB LEU 94 2HB LEU 94 -12.526 7.177 -5.071 764 2HB LEU 94 1HB LEU 94 -10.770 7.092 -5.099 765 HG LEU 94 HG LEU 94 -12.611 6.502 -7.438 766 1HD1 LEU 94 1HD1 LEU 94 -10.722 8.798 -6.861 767 2HD1 LEU 94 2HD1 LEU 94 -12.482 8.884 -6.929 768 3HD1 LEU 94 3HD1 LEU 94 -11.559 8.545 -8.393 769 1HD2 LEU 94 1HD2 LEU 94 -10.129 6.766 -8.509 770 2HD2 LEU 94 2HD2 LEU 94 -10.819 5.211 -8.058 771 3HD2 LEU 94 3HD2 LEU 94 -9.714 6.033 -6.960 772 HA PRO 95 HA PRO 95 -10.097 3.557 -1.677 773 1HB PRO 95 2HB PRO 95 -7.639 2.522 -2.230 774 2HB PRO 95 1HB PRO 95 -9.144 1.640 -2.558 775 1HG PRO 95 2HG PRO 95 -7.384 3.141 -4.429 776 2HG PRO 95 1HG PRO 95 -8.245 1.611 -4.668 777 1HD PRO 95 2HD PRO 95 -9.137 4.039 -5.628 778 2HD PRO 95 1HD PRO 95 -10.205 2.661 -5.278 779 H ILE 96 H ILE 96 -9.148 4.918 -0.134 780 HA ILE 96 HA ILE 96 -6.834 6.570 -1.020 781 HB ILE 96 HB ILE 96 -7.877 8.574 0.025 782 1HG1 ILE 96 2HG1 ILE 96 -10.561 8.146 0.077 783 2HG1 ILE 96 1HG1 ILE 96 -10.011 6.549 0.575 784 1HG2 ILE 96 1HG2 ILE 96 -8.126 7.755 -2.475 785 2HG2 ILE 96 2HG2 ILE 96 -9.060 9.134 -1.905 786 3HG2 ILE 96 3HG2 ILE 96 -9.817 7.546 -2.029 787 1HD1 ILE 96 1HD1 ILE 96 -10.134 7.611 2.625 788 2HD1 ILE 96 2HD1 ILE 96 -9.695 9.182 1.958 789 3HD1 ILE 96 3HD1 ILE 96 -8.457 7.953 2.203 790 H HIS 97 H HIS 97 -8.444 4.861 1.615 791 HA HIS 97 HA HIS 97 -6.167 5.787 3.352 792 1HB HIS 97 2HB HIS 97 -9.005 5.981 3.813 793 2HB HIS 97 1HB HIS 97 -8.290 4.927 5.031 794 HD1 HIS 97 1HD HIS 97 -5.634 6.177 5.598 795 HD2 HIS 97 2HD HIS 97 -9.045 8.491 4.960 796 HE1 HIS 97 1HE HIS 97 -5.186 8.428 6.673 797 HE2 HIS 97 2HE HIS 97 -7.255 9.844 6.290 798 H PHE 98 H PHE 98 -4.833 4.179 3.875 799 HA PHE 98 HA PHE 98 -5.691 1.371 3.547 800 1HB PHE 98 2HB PHE 98 -3.508 1.939 2.659 801 2HB PHE 98 1HB PHE 98 -3.017 2.648 4.196 802 HD1 PHE 98 1HD PHE 98 -1.875 1.331 5.761 803 HD2 PHE 98 2HD PHE 98 -4.258 -0.575 2.736 804 HE1 PHE 98 1HE PHE 98 -1.064 -0.886 6.518 805 HE2 PHE 98 2HE PHE 98 -3.448 -2.792 3.496 806 HZ PHE 98 HZ PHE 98 -1.849 -2.948 5.386 807 H ALA 99 H ALA 99 -6.615 0.374 5.265 808 HA ALA 99 HA ALA 99 -6.542 1.457 7.932 809 1HB ALA 99 1HB ALA 99 -7.982 -0.285 8.495 810 2HB ALA 99 2HB ALA 99 -7.196 -1.419 7.401 811 3HB ALA 99 3HB ALA 99 -8.259 -0.168 6.759 812 H GLY 100 H GLY 100 -5.427 -1.812 6.983 813 1HA GLY 100 2HA GLY 100 -2.765 -1.435 8.030 814 2HA GLY 100 1HA GLY 100 -3.785 -2.263 9.206 815 H VAL 101 H VAL 101 -2.357 -4.142 8.889 816 HA VAL 101 HA VAL 101 -2.607 -5.498 6.253 817 HB VAL 101 HB VAL 101 -1.037 -6.431 8.666 818 1HG1 VAL 101 1HG1 VAL 101 0.260 -7.632 6.957 819 2HG1 VAL 101 2HG1 VAL 101 -0.746 -6.935 5.688 820 3HG1 VAL 101 3HG1 VAL 101 -1.446 -8.066 6.846 821 1HG2 VAL 101 1HG2 VAL 101 -0.213 -4.565 6.419 822 2HG2 VAL 101 2HG2 VAL 101 0.916 -5.328 7.539 823 3HG2 VAL 101 3HG2 VAL 101 -0.279 -4.177 8.138 824 H GLY 102 H GLY 102 -3.649 -7.490 6.031 825 1HA GLY 102 2HA GLY 102 -4.957 -9.357 6.661 826 2HA GLY 102 1HA GLY 102 -4.674 -8.941 8.349 827 H SER 103 H SER 103 -7.161 -9.646 8.030 828 HA SER 103 HA SER 103 -8.945 -7.614 7.015 829 1HB SER 103 2HB SER 103 -9.581 -9.746 9.069 830 2HB SER 103 1HB SER 103 -10.714 -8.925 8.000 831 HG SER 103 HG SER 103 -8.973 -11.009 7.509 832 H CYS 104 H CYS 104 -10.304 -6.199 8.280 833 HA CYS 104 HA CYS 104 -8.919 -5.145 10.660 834 1HB CYS 104 2HB CYS 104 -10.918 -3.448 10.470 835 2HB CYS 104 1HB CYS 104 -9.622 -3.388 9.278 836 HA PRO 105 HA PRO 105 -11.240 -6.951 13.948 837 1HB PRO 105 2HB PRO 105 -12.234 -4.163 14.466 838 2HB PRO 105 1HB PRO 105 -11.597 -5.359 15.613 839 1HG PRO 105 2HG PRO 105 -10.111 -3.314 14.702 840 2HG PRO 105 1HG PRO 105 -9.417 -4.896 15.096 841 1HD PRO 105 2HD PRO 105 -9.763 -3.639 12.450 842 2HD PRO 105 1HD PRO 105 -8.731 -5.007 12.918 Start of MODEL 8 1 HN PCA 1 H PCA 1 -6.732 8.979 1.575 2 HA PCA 1 HA PCA 1 -8.191 11.039 2.272 3 1HB PCA 1 1HB PCA 1 -6.845 12.415 3.488 4 2HB PCA 1 2HB PCA 1 -6.222 12.977 1.954 5 1HG PCA 1 1HG PCA 1 -4.855 11.655 3.821 6 2HG PCA 1 2HG PCA 1 -4.457 11.707 2.089 7 H ASP 2 H ASP 2 -6.222 9.871 -0.157 8 HA ASP 2 HA ASP 2 -7.885 11.059 -2.197 9 1HB ASP 2 2HB ASP 2 -5.181 12.234 -1.629 10 2HB ASP 2 1HB ASP 2 -5.708 12.111 -3.308 11 H TRP 3 H TRP 3 -7.940 9.548 -3.796 12 HA TRP 3 HA TRP 3 -6.489 7.152 -3.720 13 1HB TRP 3 2HB TRP 3 -8.381 7.079 -5.081 14 2HB TRP 3 1HB TRP 3 -7.988 8.596 -5.881 15 HD1 TRP 3 HD TRP 3 -7.654 8.042 -8.313 16 HE1 TRP 3 1HE TRP 3 -6.288 6.320 -9.655 17 HE3 TRP 3 3HE TRP 3 -5.820 5.169 -4.489 18 HZ2 TRP 3 2HZ TRP 3 -4.648 4.035 -9.181 19 HZ3 TRP 3 3HZ TRP 3 -4.364 3.231 -4.974 20 HH2 TRP 3 HH TRP 3 -3.775 2.659 -7.314 21 H GLU 4 H GLU 4 -5.564 10.252 -5.053 22 HA GLU 4 HA GLU 4 -3.417 9.372 -6.725 23 1HB GLU 4 2HB GLU 4 -3.714 11.943 -5.138 24 2HB GLU 4 1HB GLU 4 -2.516 11.675 -6.405 25 1HG GLU 4 2HG GLU 4 -5.502 11.399 -6.838 26 2HG GLU 4 1HG GLU 4 -4.596 12.872 -7.189 27 H THR 5 H THR 5 -2.811 11.096 -3.657 28 HA THR 5 HA THR 5 -0.249 10.042 -3.228 29 HB THR 5 HB THR 5 -1.146 11.857 -1.858 30 HG1 THR 5 1HG THR 5 -0.002 9.606 -0.864 31 1HG2 THR 5 1HG2 THR 5 -3.469 10.684 -1.753 32 2HG2 THR 5 2HG2 THR 5 -2.935 11.614 -0.354 33 3HG2 THR 5 3HG2 THR 5 -2.807 9.855 -0.345 34 H PHE 6 H PHE 6 -3.355 8.767 -2.002 35 HA PHE 6 HA PHE 6 -2.413 6.515 -0.632 36 1HB PHE 6 2HB PHE 6 -4.855 7.349 -1.032 37 2HB PHE 6 1HB PHE 6 -4.800 6.325 -2.465 38 HD1 PHE 6 1HD PHE 6 -5.000 3.963 -2.303 39 HD2 PHE 6 2HD PHE 6 -4.410 6.314 1.243 40 HE1 PHE 6 1HE PHE 6 -5.473 1.972 -0.905 41 HE2 PHE 6 2HE PHE 6 -4.882 4.322 2.640 42 HZ PHE 6 HZ PHE 6 -5.416 2.151 1.565 43 H GLN 7 H GLN 7 -2.388 7.200 -4.034 44 HA GLN 7 HA GLN 7 -1.800 4.395 -4.743 45 1HB GLN 7 2HB GLN 7 -3.201 5.830 -6.244 46 2HB GLN 7 1HB GLN 7 -1.800 6.863 -6.508 47 1HG GLN 7 2HG GLN 7 -1.600 3.900 -6.999 48 2HG GLN 7 1HG GLN 7 -2.308 4.955 -8.221 49 1HE2 GLN 7 1HE2 GLN 7 -0.769 7.198 -8.240 50 2HE2 GLN 7 2HE2 GLN 7 0.863 6.834 -8.529 51 H LYS 8 H LYS 8 -0.149 7.342 -3.978 52 HA LYS 8 HA LYS 8 2.356 6.472 -5.274 53 1HB LYS 8 2HB LYS 8 1.852 8.863 -3.488 54 2HB LYS 8 1HB LYS 8 3.239 8.611 -4.544 55 1HG LYS 8 2HG LYS 8 0.673 8.369 -5.968 56 2HG LYS 8 1HG LYS 8 0.898 9.954 -5.238 57 1HD LYS 8 2HD LYS 8 1.833 10.022 -7.467 58 2HD LYS 8 1HD LYS 8 3.168 10.063 -6.319 59 1HE LYS 8 2HE LYS 8 2.216 7.415 -7.386 60 2HE LYS 8 1HE LYS 8 3.274 8.423 -8.372 61 1HZ LYS 8 1HZ LYS 8 4.412 8.479 -5.896 62 2HZ LYS 8 2HZ LYS 8 4.934 7.546 -7.215 63 3HZ LYS 8 3HZ LYS 8 3.894 6.872 -6.054 64 H LYS 9 H LYS 9 1.331 7.198 -1.901 65 HA LYS 9 HA LYS 9 3.826 5.975 -0.922 66 1HB LYS 9 2HB LYS 9 3.008 6.666 1.311 67 2HB LYS 9 1HB LYS 9 3.024 8.007 0.166 68 1HG LYS 9 2HG LYS 9 0.560 7.396 -0.300 69 2HG LYS 9 1HG LYS 9 0.652 6.435 1.177 70 1HD LYS 9 2HD LYS 9 1.486 8.499 2.367 71 2HD LYS 9 1HD LYS 9 1.125 9.414 0.904 72 1HE LYS 9 2HE LYS 9 -0.778 8.019 2.772 73 2HE LYS 9 1HE LYS 9 -0.838 9.674 2.166 74 1HZ LYS 9 1HZ LYS 9 -1.315 8.817 -0.038 75 2HZ LYS 9 2HZ LYS 9 -2.476 8.275 1.078 76 3HZ LYS 9 3HZ LYS 9 -1.254 7.224 0.541 77 H HIS 10 H HIS 10 0.314 5.317 -0.473 78 HA HIS 10 HA HIS 10 0.867 2.884 1.009 79 1HB HIS 10 2HB HIS 10 -1.626 4.052 -0.217 80 2HB HIS 10 1HB HIS 10 -1.629 2.453 0.523 81 HD1 HIS 10 1HD HIS 10 -0.463 2.491 3.075 82 HD2 HIS 10 2HD HIS 10 -2.117 6.040 1.636 83 HE1 HIS 10 1HE HIS 10 -0.851 3.973 5.094 84 HE2 HIS 10 2HE HIS 10 -1.858 6.134 4.230 85 H LEU 11 H LEU 11 0.959 3.573 -2.341 86 HA LEU 11 HA LEU 11 0.897 0.625 -2.906 87 1HB LEU 11 2HB LEU 11 -0.714 2.785 -4.058 88 2HB LEU 11 1HB LEU 11 0.139 1.868 -5.291 89 HG LEU 11 HG LEU 11 -0.766 -0.229 -4.076 90 1HD1 LEU 11 1HD1 LEU 11 -1.519 0.887 -2.032 91 2HD1 LEU 11 2HD1 LEU 11 -2.906 0.197 -2.865 92 3HD1 LEU 11 3HD1 LEU 11 -2.589 1.928 -2.964 93 1HD2 LEU 11 1HD2 LEU 11 -3.030 0.096 -5.207 94 2HD2 LEU 11 2HD2 LEU 11 -1.615 0.331 -6.233 95 3HD2 LEU 11 3HD2 LEU 11 -2.490 1.726 -5.602 96 H THR 12 H THR 12 2.275 -0.044 -4.653 97 HA THR 12 HA THR 12 4.211 2.014 -5.618 98 HB THR 12 HB THR 12 5.428 0.984 -3.832 99 HG1 THR 12 1HG THR 12 6.998 0.850 -5.184 100 1HG2 THR 12 1HG2 THR 12 3.826 -1.306 -4.464 101 2HG2 THR 12 2HG2 THR 12 4.914 -1.083 -3.096 102 3HG2 THR 12 3HG2 THR 12 5.522 -1.768 -4.599 103 H ASP 13 H ASP 13 5.821 0.179 -7.089 104 HA ASP 13 HA ASP 13 3.801 -0.851 -9.052 105 1HB ASP 13 2HB ASP 13 5.132 1.196 -9.742 106 2HB ASP 13 1HB ASP 13 6.567 0.171 -9.717 107 H THR 14 H THR 14 5.919 -2.003 -6.822 108 HA THR 14 HA THR 14 6.317 -4.472 -8.419 109 HB THR 14 HB THR 14 8.364 -3.092 -8.764 110 HG1 THR 14 1HG THR 14 8.425 -5.410 -8.617 111 1HG2 THR 14 1HG2 THR 14 8.174 -1.963 -6.506 112 2HG2 THR 14 2HG2 THR 14 9.791 -2.534 -6.915 113 3HG2 THR 14 3HG2 THR 14 8.790 -3.453 -5.792 114 H LYS 15 H LYS 15 6.805 -6.330 -7.087 115 HA LYS 15 HA LYS 15 5.518 -6.222 -4.483 116 1HB LYS 15 2HB LYS 15 6.386 -8.664 -4.408 117 2HB LYS 15 1HB LYS 15 5.204 -8.256 -5.653 118 1HG LYS 15 2HG LYS 15 6.867 -8.133 -7.347 119 2HG LYS 15 1HG LYS 15 8.176 -8.091 -6.166 120 1HD LYS 15 2HD LYS 15 8.078 -10.321 -7.127 121 2HD LYS 15 1HD LYS 15 7.534 -10.407 -5.451 122 1HE LYS 15 2HE LYS 15 5.246 -10.553 -6.092 123 2HE LYS 15 1HE LYS 15 5.600 -10.056 -7.747 124 1HZ LYS 15 1HZ LYS 15 6.066 -12.644 -6.442 125 2HZ LYS 15 2HZ LYS 15 7.097 -12.163 -7.704 126 3HZ LYS 15 3HZ LYS 15 5.427 -12.313 -7.976 127 H LYS 16 H LYS 16 8.776 -6.029 -5.672 128 HA LYS 16 HA LYS 16 9.800 -6.096 -2.857 129 1HB LYS 16 2HB LYS 16 12.035 -6.582 -3.963 130 2HB LYS 16 1HB LYS 16 10.843 -7.873 -4.093 131 1HG LYS 16 2HG LYS 16 10.198 -6.830 -6.355 132 2HG LYS 16 1HG LYS 16 11.688 -5.897 -6.218 133 1HD LYS 16 2HD LYS 16 12.850 -8.161 -5.793 134 2HD LYS 16 1HD LYS 16 11.367 -8.891 -6.408 135 1HE LYS 16 2HE LYS 16 13.031 -8.594 -8.213 136 2HE LYS 16 1HE LYS 16 11.591 -7.617 -8.502 137 1HZ LYS 16 1HZ LYS 16 12.689 -5.683 -7.801 138 2HZ LYS 16 2HZ LYS 16 13.804 -6.477 -8.807 139 3HZ LYS 16 3HZ LYS 16 13.979 -6.546 -7.119 140 H VAL 17 H VAL 17 8.910 -3.762 -3.057 141 HA VAL 17 HA VAL 17 10.013 -1.791 -4.717 142 HB VAL 17 HB VAL 17 9.578 -0.192 -2.879 143 1HG1 VAL 17 1HG1 VAL 17 7.140 -0.961 -2.489 144 2HG1 VAL 17 2HG1 VAL 17 7.560 -2.324 -3.528 145 3HG1 VAL 17 3HG1 VAL 17 7.670 -0.679 -4.144 146 1HG2 VAL 17 1HG2 VAL 17 9.398 -2.758 -1.313 147 2HG2 VAL 17 2HG2 VAL 17 8.479 -1.344 -0.796 148 3HG2 VAL 17 3HG2 VAL 17 10.238 -1.264 -0.901 149 H LYS 18 H LYS 18 11.602 -0.095 -4.043 150 HA LYS 18 HA LYS 18 14.017 -1.432 -2.952 151 1HB LYS 18 2HB LYS 18 15.207 0.603 -3.875 152 2HB LYS 18 1HB LYS 18 14.406 -0.378 -5.099 153 1HG LYS 18 2HG LYS 18 12.861 1.871 -3.848 154 2HG LYS 18 1HG LYS 18 14.090 2.266 -5.045 155 1HD LYS 18 2HD LYS 18 12.206 0.057 -5.735 156 2HD LYS 18 1HD LYS 18 11.552 1.693 -5.727 157 1HE LYS 18 2HE LYS 18 12.414 1.092 -7.961 158 2HE LYS 18 1HE LYS 18 13.336 2.423 -7.262 159 1HZ LYS 18 1HZ LYS 18 15.109 1.024 -6.754 160 2HZ LYS 18 2HZ LYS 18 14.628 0.516 -8.302 161 3HZ LYS 18 3HZ LYS 18 14.186 -0.387 -6.932 162 H CYS 19 H CYS 19 12.647 -1.175 -0.879 163 HA CYS 19 HA CYS 19 11.871 0.935 0.535 164 1HB CYS 19 2HB CYS 19 13.845 -1.160 1.446 165 2HB CYS 19 1HB CYS 19 13.126 0.008 2.552 166 H ASP 20 H ASP 20 15.304 0.395 -0.231 167 HA ASP 20 HA ASP 20 16.487 2.403 1.325 168 1HB ASP 20 2HB ASP 20 17.874 0.922 0.019 169 2HB ASP 20 1HB ASP 20 17.154 1.493 -1.486 170 H VAL 21 H VAL 21 14.902 2.697 -1.837 171 HA VAL 21 HA VAL 21 15.098 5.660 -1.623 172 HB VAL 21 HB VAL 21 13.881 4.316 -3.993 173 1HG1 VAL 21 1HG1 VAL 21 16.016 6.441 -3.960 174 2HG1 VAL 21 2HG1 VAL 21 14.345 6.854 -3.586 175 3HG1 VAL 21 3HG1 VAL 21 14.750 6.164 -5.156 176 1HG2 VAL 21 1HG2 VAL 21 16.173 3.909 -4.929 177 2HG2 VAL 21 2HG2 VAL 21 15.782 2.854 -3.571 178 3HG2 VAL 21 3HG2 VAL 21 16.839 4.244 -3.330 179 H GLU 22 H GLU 22 12.803 2.965 -1.812 180 HA GLU 22 HA GLU 22 10.398 4.434 -2.074 181 1HB GLU 22 2HB GLU 22 11.060 1.766 -1.626 182 2HB GLU 22 1HB GLU 22 10.173 2.219 -0.171 183 1HG GLU 22 2HG GLU 22 8.502 1.481 -1.685 184 2HG GLU 22 1HG GLU 22 8.424 3.241 -1.755 185 H MET 23 H MET 23 12.727 4.650 0.285 186 HA MET 23 HA MET 23 10.796 5.862 2.231 187 1HB MET 23 2HB MET 23 13.402 4.464 2.900 188 2HB MET 23 1HB MET 23 12.217 5.094 4.044 189 1HG MET 23 2HG MET 23 11.349 3.065 2.001 190 2HG MET 23 1HG MET 23 12.212 2.530 3.440 191 1HE MET 23 1HE MET 23 11.353 2.189 5.576 192 2HE MET 23 2HE MET 23 10.007 3.021 6.349 193 3HE MET 23 3HE MET 23 11.447 3.925 5.894 194 H ALA 24 H ALA 24 14.181 5.869 1.085 195 HA ALA 24 HA ALA 24 14.783 8.412 2.335 196 1HB ALA 24 1HB ALA 24 16.532 6.749 1.774 197 2HB ALA 24 2HB ALA 24 16.859 8.313 1.028 198 3HB ALA 24 3HB ALA 24 16.200 6.995 0.060 199 H LYS 25 H LYS 25 12.669 7.801 -0.064 200 HA LYS 25 HA LYS 25 13.292 9.526 -2.204 201 1HB LYS 25 2HB LYS 25 10.753 8.586 -0.933 202 2HB LYS 25 1HB LYS 25 10.640 9.922 -2.070 203 1HG LYS 25 2HG LYS 25 11.124 8.611 -3.873 204 2HG LYS 25 1HG LYS 25 12.318 7.663 -2.994 205 1HD LYS 25 2HD LYS 25 10.556 6.149 -3.441 206 2HD LYS 25 1HD LYS 25 10.333 6.608 -1.752 207 1HE LYS 25 2HE LYS 25 8.621 8.223 -2.366 208 2HE LYS 25 1HE LYS 25 8.904 7.923 -4.081 209 1HZ LYS 25 1HZ LYS 25 7.034 6.651 -3.479 210 2HZ LYS 25 2HZ LYS 25 7.780 6.060 -2.071 211 3HZ LYS 25 3HZ LYS 25 8.317 5.547 -3.599 212 H ALA 26 H ALA 26 11.463 11.570 -2.329 213 HA ALA 26 HA ALA 26 12.476 13.437 -0.239 214 1HB ALA 26 1HB ALA 26 11.525 15.181 -1.841 215 2HB ALA 26 2HB ALA 26 11.256 13.859 -2.977 216 3HB ALA 26 3HB ALA 26 12.894 14.252 -2.451 217 H LEU 27 H LEU 27 9.703 11.661 -1.127 218 HA LEU 27 HA LEU 27 7.861 13.555 0.242 219 1HB LEU 27 2HB LEU 27 6.081 12.379 -0.755 220 2HB LEU 27 1HB LEU 27 7.332 12.346 -1.991 221 HG LEU 27 HG LEU 27 8.035 10.085 -0.820 222 1HD1 LEU 27 1HD1 LEU 27 5.458 10.727 0.459 223 2HD1 LEU 27 2HD1 LEU 27 6.684 9.553 0.924 224 3HD1 LEU 27 3HD1 LEU 27 5.484 9.132 -0.291 225 1HD2 LEU 27 1HD2 LEU 27 6.266 8.915 -2.288 226 2HD2 LEU 27 2HD2 LEU 27 7.340 10.059 -3.091 227 3HD2 LEU 27 3HD2 LEU 27 5.693 10.536 -2.678 228 H PHE 28 H PHE 28 9.919 11.125 1.095 229 HA PHE 28 HA PHE 28 8.159 10.230 3.354 230 1HB PHE 28 2HB PHE 28 10.238 8.812 1.721 231 2HB PHE 28 1HB PHE 28 10.030 8.342 3.404 232 HD1 PHE 28 1HD PHE 28 8.989 7.606 0.162 233 HD2 PHE 28 2HD PHE 28 7.401 8.185 4.111 234 HE1 PHE 28 1HE PHE 28 6.990 6.274 -0.446 235 HE2 PHE 28 2HE PHE 28 5.402 6.853 3.501 236 HZ PHE 28 HZ PHE 28 5.197 5.897 1.223 237 H ASP 29 H ASP 29 11.534 10.994 2.464 238 HA ASP 29 HA ASP 29 13.113 12.235 3.699 239 1HB ASP 29 2HB ASP 29 10.855 13.194 4.775 240 2HB ASP 29 1HB ASP 29 11.423 12.275 6.167 241 H CYS 30 H CYS 30 13.009 9.368 3.595 242 HA CYS 30 HA CYS 30 13.954 7.498 4.653 243 1HB CYS 30 2HB CYS 30 15.869 9.134 4.670 244 2HB CYS 30 1HB CYS 30 15.387 9.599 6.301 245 H LYS 31 H LYS 31 11.532 7.587 5.637 246 HA LYS 31 HA LYS 31 11.199 8.249 8.399 247 1HB LYS 31 2HB LYS 31 9.794 6.016 6.911 248 2HB LYS 31 1HB LYS 31 9.199 6.880 8.321 249 1HG LYS 31 2HG LYS 31 9.703 8.087 5.587 250 2HG LYS 31 1HG LYS 31 8.123 7.694 6.254 251 1HD LYS 31 2HD LYS 31 10.070 9.787 7.259 252 2HD LYS 31 1HD LYS 31 8.474 10.053 6.566 253 1HE LYS 31 2HE LYS 31 7.634 8.554 8.538 254 2HE LYS 31 1HE LYS 31 9.185 8.956 9.276 255 1HZ LYS 31 1HZ LYS 31 8.689 11.246 9.181 256 2HZ LYS 31 2HZ LYS 31 7.309 10.490 9.820 257 3HZ LYS 31 3HZ LYS 31 7.328 10.998 8.198 258 H LYS 32 H LYS 32 10.134 5.430 8.991 259 HA LYS 32 HA LYS 32 12.710 4.018 9.488 260 1HB LYS 32 2HB LYS 32 10.670 4.855 11.556 261 2HB LYS 32 1HB LYS 32 11.785 3.517 11.836 262 1HG LYS 32 2HG LYS 32 13.698 4.959 11.561 263 2HG LYS 32 1HG LYS 32 12.679 6.295 11.027 264 1HD LYS 32 2HD LYS 32 13.324 6.586 13.387 265 2HD LYS 32 1HD LYS 32 11.583 6.340 13.243 266 1HE LYS 32 2HE LYS 32 11.691 4.154 14.081 267 2HE LYS 32 1HE LYS 32 13.401 3.981 13.685 268 1HZ LYS 32 1HZ LYS 32 14.025 5.321 15.466 269 2HZ LYS 32 2HZ LYS 32 12.784 4.354 16.108 270 3HZ LYS 32 3HZ LYS 32 12.469 5.965 15.667 271 H THR 33 H THR 33 9.169 3.941 9.514 272 HA THR 33 HA THR 33 9.299 1.058 8.728 273 HB THR 33 HB THR 33 8.596 1.287 11.125 274 HG1 THR 33 1HG THR 33 7.301 -0.312 10.754 275 1HG2 THR 33 1HG2 THR 33 7.492 3.557 10.674 276 2HG2 THR 33 2HG2 THR 33 6.610 2.448 11.725 277 3HG2 THR 33 3HG2 THR 33 6.125 2.642 10.040 278 H ASN 34 H ASN 34 7.709 0.479 7.150 279 HA ASN 34 HA ASN 34 5.644 2.401 6.391 280 1HB ASN 34 2HB ASN 34 7.890 3.221 5.405 281 2HB ASN 34 1HB ASN 34 7.747 1.851 4.303 282 1HD2 ASN 34 1HD2 ASN 34 5.444 1.727 3.204 283 2HD2 ASN 34 2HD2 ASN 34 4.788 3.206 2.691 284 H THR 35 H THR 35 4.205 1.560 4.817 285 HA THR 35 HA THR 35 4.674 -1.251 3.944 286 HB THR 35 HB THR 35 2.168 -0.192 5.291 287 HG1 THR 35 1HG THR 35 3.910 -0.817 6.661 288 1HG2 THR 35 1HG2 THR 35 1.465 -2.640 5.023 289 2HG2 THR 35 2HG2 THR 35 2.773 -2.775 3.848 290 3HG2 THR 35 3HG2 THR 35 1.441 -1.655 3.561 291 H PHE 36 H PHE 36 3.448 -1.801 2.022 292 HA PHE 36 HA PHE 36 1.917 0.382 0.729 293 1HB PHE 36 2HB PHE 36 3.932 -0.863 -1.069 294 2HB PHE 36 1HB PHE 36 3.307 0.777 -1.059 295 HD1 PHE 36 1HD PHE 36 4.789 2.465 -0.463 296 HD2 PHE 36 2HD PHE 36 5.359 -1.473 1.140 297 HE1 PHE 36 1HE PHE 36 6.867 3.221 0.654 298 HE2 PHE 36 2HE PHE 36 7.434 -0.719 2.263 299 HZ PHE 36 HZ PHE 36 8.190 1.626 2.012 300 H ILE 37 H ILE 37 1.152 -0.573 -1.548 301 HA ILE 37 HA ILE 37 0.571 -3.481 -1.152 302 HB ILE 37 HB ILE 37 -1.326 -1.425 -2.303 303 1HG1 ILE 37 2HG1 ILE 37 -1.655 -2.758 0.381 304 2HG1 ILE 37 1HG1 ILE 37 -0.702 -1.284 0.243 305 1HG2 ILE 37 1HG2 ILE 37 -1.547 -4.350 -1.583 306 2HG2 ILE 37 2HG2 ILE 37 -1.844 -3.593 -3.149 307 3HG2 ILE 37 3HG2 ILE 37 -2.964 -3.325 -1.812 308 1HD1 ILE 37 1HD1 ILE 37 -3.361 -1.259 0.677 309 2HD1 ILE 37 2HD1 ILE 37 -3.361 -1.246 -1.085 310 3HD1 ILE 37 3HD1 ILE 37 -2.524 0.024 -0.193 311 H TYR 38 H TYR 38 1.095 -4.737 -2.861 312 HA TYR 38 HA TYR 38 2.053 -3.378 -5.319 313 1HB TYR 38 2HB TYR 38 3.491 -5.117 -4.442 314 2HB TYR 38 1HB TYR 38 2.157 -6.266 -4.408 315 HD1 TYR 38 1HD TYR 38 3.653 -3.884 -6.903 316 HD2 TYR 38 2HD TYR 38 2.175 -7.841 -6.119 317 HE1 TYR 38 1HE TYR 38 4.141 -4.531 -9.247 318 HE2 TYR 38 2HE TYR 38 2.665 -8.488 -8.462 319 HH TYR 38 HH TYR 38 4.660 -6.920 -10.422 320 H ALA 39 H ALA 39 0.266 -2.793 -6.533 321 HA ALA 39 HA ALA 39 -1.294 -5.002 -7.714 322 1HB ALA 39 1HB ALA 39 -2.749 -4.530 -5.883 323 2HB ALA 39 2HB ALA 39 -3.446 -3.681 -7.264 324 3HB ALA 39 3HB ALA 39 -2.521 -2.790 -6.056 325 H LEU 40 H LEU 40 -2.226 -4.389 -9.745 326 HA LEU 40 HA LEU 40 -0.927 -2.046 -10.940 327 1HB LEU 40 2HB LEU 40 -1.210 -3.100 -12.948 328 2HB LEU 40 1HB LEU 40 -1.422 -4.508 -11.917 329 HG LEU 40 HG LEU 40 -3.973 -3.687 -11.942 330 1HD1 LEU 40 1HD1 LEU 40 -4.604 -2.613 -13.963 331 2HD1 LEU 40 2HD1 LEU 40 -3.024 -2.879 -14.693 332 3HD1 LEU 40 3HD1 LEU 40 -3.210 -1.698 -13.401 333 1HD2 LEU 40 1HD2 LEU 40 -4.304 -5.203 -13.913 334 2HD2 LEU 40 2HD2 LEU 40 -3.250 -5.888 -12.676 335 3HD2 LEU 40 3HD2 LEU 40 -2.556 -5.208 -14.148 336 HA PRO 41 HA PRO 41 -3.979 1.075 -10.453 337 1HB PRO 41 2HB PRO 41 -4.099 1.177 -13.436 338 2HB PRO 41 1HB PRO 41 -3.849 2.490 -12.271 339 1HG PRO 41 2HG PRO 41 -1.863 1.305 -13.743 340 2HG PRO 41 1HG PRO 41 -1.614 2.179 -12.226 341 1HD PRO 41 2HD PRO 41 -1.279 -0.658 -12.733 342 2HD PRO 41 1HD PRO 41 -0.929 0.244 -11.245 343 H GLY 42 H GLY 42 -4.770 -0.889 -13.344 344 1HA GLY 42 2HA GLY 42 -7.557 -0.560 -13.271 345 2HA GLY 42 1HA GLY 42 -6.770 -1.996 -13.919 346 H ARG 43 H ARG 43 -5.693 -3.202 -11.740 347 HA ARG 43 HA ARG 43 -7.929 -4.447 -10.492 348 1HB ARG 43 2HB ARG 43 -4.964 -4.464 -9.976 349 2HB ARG 43 1HB ARG 43 -6.059 -5.283 -8.864 350 1HG ARG 43 2HG ARG 43 -6.351 -5.796 -11.809 351 2HG ARG 43 1HG ARG 43 -5.035 -6.582 -10.939 352 1HD ARG 43 2HD ARG 43 -6.663 -7.498 -9.313 353 2HD ARG 43 1HD ARG 43 -7.976 -6.736 -10.210 354 HE ARG 43 HE ARG 43 -6.431 -8.395 -11.973 355 1HH1 ARG 43 1HH2 ARG 43 -8.684 -8.450 -9.364 356 2HH1 ARG 43 2HH2 ARG 43 -9.376 -9.971 -9.818 357 1HH2 ARG 43 1HH1 ARG 43 -7.322 -10.382 -12.582 358 2HH2 ARG 43 2HH1 ARG 43 -8.606 -11.065 -11.640 359 H VAL 44 H VAL 44 -5.952 -1.693 -9.530 360 HA VAL 44 HA VAL 44 -6.936 -1.682 -6.787 361 HB VAL 44 HB VAL 44 -5.594 0.521 -8.382 362 1HG1 VAL 44 1HG1 VAL 44 -4.945 1.189 -5.958 363 2HG1 VAL 44 2HG1 VAL 44 -6.285 0.156 -5.466 364 3HG1 VAL 44 3HG1 VAL 44 -6.582 1.552 -6.501 365 1HG2 VAL 44 1HG2 VAL 44 -3.529 -0.266 -7.449 366 2HG2 VAL 44 2HG2 VAL 44 -4.341 -1.687 -8.106 367 3HG2 VAL 44 3HG2 VAL 44 -4.367 -1.382 -6.370 368 H LYS 45 H LYS 45 -7.480 0.556 -9.542 369 HA LYS 45 HA LYS 45 -9.659 1.919 -8.272 370 1HB LYS 45 2HB LYS 45 -10.119 2.865 -10.455 371 2HB LYS 45 1HB LYS 45 -8.368 2.766 -10.268 372 1HG LYS 45 2HG LYS 45 -8.549 0.473 -11.430 373 2HG LYS 45 1HG LYS 45 -10.177 0.972 -11.890 374 1HD LYS 45 2HD LYS 45 -7.629 2.495 -12.514 375 2HD LYS 45 1HD LYS 45 -8.550 1.524 -13.664 376 1HE LYS 45 2HE LYS 45 -10.559 3.015 -13.052 377 2HE LYS 45 1HE LYS 45 -9.377 4.092 -12.307 378 1HZ LYS 45 1HZ LYS 45 -9.020 3.131 -15.073 379 2HZ LYS 45 2HZ LYS 45 -8.352 4.503 -14.327 380 3HZ LYS 45 3HZ LYS 45 -9.999 4.475 -14.742 381 H ALA 46 H ALA 46 -9.394 -1.135 -9.822 382 HA ALA 46 HA ALA 46 -12.189 -1.429 -10.557 383 1HB ALA 46 1HB ALA 46 -11.514 -3.895 -10.684 384 2HB ALA 46 2HB ALA 46 -9.895 -3.373 -10.226 385 3HB ALA 46 3HB ALA 46 -10.614 -2.798 -11.731 386 H LEU 47 H LEU 47 -10.179 -2.542 -7.825 387 HA LEU 47 HA LEU 47 -12.191 -4.020 -6.478 388 1HB LEU 47 2HB LEU 47 -9.575 -2.847 -5.808 389 2HB LEU 47 1HB LEU 47 -10.668 -2.931 -4.429 390 HG LEU 47 HG LEU 47 -11.080 -5.352 -4.992 391 1HD1 LEU 47 1HD1 LEU 47 -9.790 -6.468 -6.622 392 2HD1 LEU 47 2HD1 LEU 47 -8.621 -5.152 -6.731 393 3HD1 LEU 47 3HD1 LEU 47 -10.232 -4.959 -7.420 394 1HD2 LEU 47 1HD2 LEU 47 -9.404 -4.567 -3.286 395 2HD2 LEU 47 2HD2 LEU 47 -8.162 -4.663 -4.534 396 3HD2 LEU 47 3HD2 LEU 47 -8.999 -6.124 -4.010 397 H CYS 48 H CYS 48 -12.121 -0.716 -7.158 398 HA CYS 48 HA CYS 48 -13.971 -0.126 -4.875 399 1HB CYS 48 2HB CYS 48 -11.946 1.532 -6.338 400 2HB CYS 48 1HB CYS 48 -13.374 2.331 -5.683 401 H LYS 49 H LYS 49 -14.280 -1.215 -7.813 402 HA LYS 49 HA LYS 49 -16.040 0.855 -8.953 403 1HB LYS 49 2HB LYS 49 -16.079 -0.472 -10.904 404 2HB LYS 49 1HB LYS 49 -14.455 -0.718 -10.266 405 1HG LYS 49 2HG LYS 49 -15.439 -2.759 -9.035 406 2HG LYS 49 1HG LYS 49 -16.824 -2.586 -10.114 407 1HD LYS 49 2HD LYS 49 -15.353 -2.779 -12.069 408 2HD LYS 49 1HD LYS 49 -13.944 -2.900 -11.014 409 1HE LYS 49 2HE LYS 49 -14.842 -5.118 -11.868 410 2HE LYS 49 1HE LYS 49 -14.693 -4.996 -10.114 411 1HZ LYS 49 1HZ LYS 49 -17.187 -4.496 -11.646 412 2HZ LYS 49 2HZ LYS 49 -17.023 -4.482 -9.955 413 3HZ LYS 49 3HZ LYS 49 -16.830 -5.933 -10.818 414 H ASN 50 H ASN 50 -18.277 0.720 -9.031 415 HA ASN 50 HA ASN 50 -20.438 -0.080 -8.586 416 1HB ASN 50 2HB ASN 50 -19.223 -2.319 -9.352 417 2HB ASN 50 1HB ASN 50 -19.390 -2.727 -7.645 418 1HD2 ASN 50 1HD2 ASN 50 -21.194 -4.080 -7.503 419 2HD2 ASN 50 2HD2 ASN 50 -22.698 -3.763 -8.222 420 H ILE 51 H ILE 51 -17.952 0.217 -6.367 421 HA ILE 51 HA ILE 51 -19.386 -0.675 -3.995 422 HB ILE 51 HB ILE 51 -16.996 1.167 -4.280 423 1HG1 ILE 51 2HG1 ILE 51 -16.530 -1.068 -5.151 424 2HG1 ILE 51 1HG1 ILE 51 -15.720 -0.870 -3.599 425 1HG2 ILE 51 1HG2 ILE 51 -17.806 1.603 -2.127 426 2HG2 ILE 51 2HG2 ILE 51 -16.657 0.297 -1.844 427 3HG2 ILE 51 3HG2 ILE 51 -18.385 -0.049 -1.906 428 1HD1 ILE 51 1HD1 ILE 51 -17.969 -1.907 -2.650 429 2HD1 ILE 51 2HD1 ILE 51 -16.706 -2.950 -3.298 430 3HD1 ILE 51 3HD1 ILE 51 -18.106 -2.546 -4.289 431 H ARG 52 H ARG 52 -19.704 1.043 -2.187 432 HA ARG 52 HA ARG 52 -21.390 3.196 -3.358 433 1HB ARG 52 2HB ARG 52 -21.193 2.219 -0.493 434 2HB ARG 52 1HB ARG 52 -22.387 3.352 -1.128 435 1HG ARG 52 2HG ARG 52 -23.019 1.502 -2.795 436 2HG ARG 52 1HG ARG 52 -22.080 0.416 -1.768 437 1HD ARG 52 2HD ARG 52 -24.376 2.145 -0.803 438 2HD ARG 52 1HD ARG 52 -24.499 0.424 -1.170 439 HE ARG 52 HE ARG 52 -22.388 0.972 0.743 440 1HH1 ARG 52 1HH2 ARG 52 -25.778 0.573 0.258 441 2HH1 ARG 52 2HH2 ARG 52 -26.081 0.041 1.878 442 1HH2 ARG 52 1HH1 ARG 52 -22.765 0.279 2.862 443 2HH2 ARG 52 2HH1 ARG 52 -24.376 -0.124 3.351 444 H ASP 53 H ASP 53 -21.223 4.670 -0.755 445 HA ASP 53 HA ASP 53 -18.987 6.408 -1.463 446 1HB ASP 53 2HB ASP 53 -20.652 6.551 1.049 447 2HB ASP 53 1HB ASP 53 -19.818 7.865 0.219 448 H ASN 54 H ASN 54 -18.503 7.093 1.339 449 HA ASN 54 HA ASN 54 -16.136 5.544 1.764 450 1HB ASN 54 2HB ASN 54 -15.954 6.727 3.888 451 2HB ASN 54 1HB ASN 54 -16.489 7.855 2.641 452 1HD2 ASN 54 1HD2 ASN 54 -19.271 6.798 2.582 453 2HD2 ASN 54 2HD2 ASN 54 -20.003 7.324 4.019 454 H THR 55 H THR 55 -16.249 3.410 2.189 455 HA THR 55 HA THR 55 -17.785 2.534 4.566 456 HB THR 55 HB THR 55 -17.942 0.704 2.220 457 HG1 THR 55 1HG THR 55 -18.730 2.262 1.048 458 1HG2 THR 55 1HG2 THR 55 -19.940 1.599 4.318 459 2HG2 THR 55 2HG2 THR 55 -18.923 0.161 4.424 460 3HG2 THR 55 3HG2 THR 55 -20.164 0.274 3.176 461 H ASP 56 H ASP 56 -17.014 0.379 5.304 462 HA ASP 56 HA ASP 56 -14.116 0.129 4.819 463 1HB ASP 56 2HB ASP 56 -14.350 -1.655 6.651 464 2HB ASP 56 1HB ASP 56 -14.710 0.008 7.119 465 H VAL 57 H VAL 57 -13.425 -1.172 3.212 466 HA VAL 57 HA VAL 57 -15.061 -3.585 2.524 467 HB VAL 57 HB VAL 57 -13.848 -3.460 0.311 468 1HG1 VAL 57 1HG1 VAL 57 -15.597 -1.178 1.257 469 2HG1 VAL 57 2HG1 VAL 57 -16.089 -2.629 0.383 470 3HG1 VAL 57 3HG1 VAL 57 -15.143 -1.385 -0.435 471 1HG2 VAL 57 1HG2 VAL 57 -12.579 -1.530 -0.256 472 2HG2 VAL 57 2HG2 VAL 57 -11.993 -1.997 1.339 473 3HG2 VAL 57 3HG2 VAL 57 -13.123 -0.654 1.175 474 H LEU 58 H LEU 58 -13.434 -5.283 1.406 475 HA LEU 58 HA LEU 58 -10.793 -5.383 2.676 476 1HB LEU 58 2HB LEU 58 -12.135 -6.096 4.558 477 2HB LEU 58 1HB LEU 58 -13.058 -7.202 3.546 478 HG LEU 58 HG LEU 58 -11.130 -8.631 3.236 479 1HD1 LEU 58 1HD1 LEU 58 -9.001 -8.007 4.526 480 2HD1 LEU 58 2HD1 LEU 58 -9.677 -6.390 4.632 481 3HD1 LEU 58 3HD1 LEU 58 -9.319 -7.093 3.062 482 1HD2 LEU 58 1HD2 LEU 58 -12.449 -8.693 5.421 483 2HD2 LEU 58 2HD2 LEU 58 -11.114 -7.792 6.140 484 3HD2 LEU 58 3HD2 LEU 58 -10.837 -9.404 5.478 485 H SER 59 H SER 59 -9.428 -6.795 1.521 486 HA SER 59 HA SER 59 -10.197 -7.634 -1.062 487 1HB SER 59 2HB SER 59 -7.899 -7.644 -0.863 488 2HB SER 59 1HB SER 59 -7.937 -8.292 0.770 489 HG SER 59 HG SER 59 -8.733 -9.787 -1.499 490 H ARG 60 H ARG 60 -10.571 -9.822 -1.892 491 HA ARG 60 HA ARG 60 -12.302 -11.357 -0.046 492 1HB ARG 60 2HB ARG 60 -12.807 -12.641 -2.208 493 2HB ARG 60 1HB ARG 60 -13.313 -10.952 -2.156 494 1HG ARG 60 2HG ARG 60 -11.467 -10.249 -3.487 495 2HG ARG 60 1HG ARG 60 -10.636 -11.791 -3.280 496 1HD ARG 60 2HD ARG 60 -12.440 -12.924 -4.543 497 2HD ARG 60 1HD ARG 60 -13.242 -11.371 -4.775 498 HE ARG 60 HE ARG 60 -10.493 -11.339 -5.718 499 1HH1 ARG 60 1HH2 ARG 60 -13.755 -12.222 -6.397 500 2HH1 ARG 60 2HH2 ARG 60 -13.563 -12.127 -8.116 501 1HH2 ARG 60 1HH1 ARG 60 -10.223 -11.211 -7.959 502 2HH2 ARG 60 2HH1 ARG 60 -11.564 -11.555 -9.000 503 H ASP 61 H ASP 61 -9.081 -11.421 -0.839 504 HA ASP 61 HA ASP 61 -8.864 -14.219 0.075 505 1HB ASP 61 2HB ASP 61 -9.018 -14.499 -2.348 506 2HB ASP 61 1HB ASP 61 -7.750 -13.298 -2.591 507 H ALA 62 H ALA 62 -6.294 -12.633 -1.693 508 HA ALA 62 HA ALA 62 -5.085 -11.637 0.814 509 1HB ALA 62 1HB ALA 62 -4.356 -13.976 0.716 510 2HB ALA 62 2HB ALA 62 -2.992 -12.902 0.411 511 3HB ALA 62 3HB ALA 62 -3.772 -13.739 -0.930 512 H PHE 63 H PHE 63 -2.913 -10.558 0.289 513 HA PHE 63 HA PHE 63 -2.632 -9.648 -2.502 514 1HB PHE 63 2HB PHE 63 -3.711 -7.956 -0.285 515 2HB PHE 63 1HB PHE 63 -2.547 -7.201 -1.373 516 HD1 PHE 63 1HD PHE 63 -3.118 -6.654 -3.631 517 HD2 PHE 63 2HD PHE 63 -5.817 -8.960 -1.213 518 HE1 PHE 63 1HE PHE 63 -4.892 -6.375 -5.342 519 HE2 PHE 63 2HE PHE 63 -7.590 -8.680 -2.925 520 HZ PHE 63 HZ PHE 63 -7.127 -7.387 -4.989 521 H LEU 64 H LEU 64 -0.490 -9.413 -2.923 522 HA LEU 64 HA LEU 64 1.435 -9.783 -0.755 523 1HB LEU 64 2HB LEU 64 1.575 -10.705 -3.171 524 2HB LEU 64 1HB LEU 64 2.094 -9.085 -3.621 525 HG LEU 64 HG LEU 64 3.470 -10.459 -1.325 526 1HD1 LEU 64 1HD1 LEU 64 5.125 -11.324 -3.069 527 2HD1 LEU 64 2HD1 LEU 64 3.860 -11.041 -4.265 528 3HD1 LEU 64 3HD1 LEU 64 3.595 -12.192 -2.956 529 1HD2 LEU 64 1HD2 LEU 64 4.113 -8.172 -1.730 530 2HD2 LEU 64 2HD2 LEU 64 4.250 -8.455 -3.465 531 3HD2 LEU 64 3HD2 LEU 64 5.413 -9.181 -2.359 532 H LEU 65 H LEU 65 2.003 -8.034 0.490 533 HA LEU 65 HA LEU 65 2.333 -5.422 -0.931 534 1HB LEU 65 2HB LEU 65 2.056 -4.910 1.842 535 2HB LEU 65 1HB LEU 65 0.942 -4.488 0.558 536 HG LEU 65 HG LEU 65 0.898 -7.250 1.732 537 1HD1 LEU 65 1HD1 LEU 65 -0.848 -6.369 3.296 538 2HD1 LEU 65 2HD1 LEU 65 -0.436 -4.734 2.780 539 3HD1 LEU 65 3HD1 LEU 65 0.757 -5.717 3.627 540 1HD2 LEU 65 1HD2 LEU 65 -0.372 -6.755 -0.351 541 2HD2 LEU 65 2HD2 LEU 65 -1.182 -5.424 0.466 542 3HD2 LEU 65 3HD2 LEU 65 -1.465 -7.082 0.992 543 HA PRO 66 HA PRO 66 6.534 -5.833 0.581 544 1HB PRO 66 2HB PRO 66 7.448 -3.400 -0.265 545 2HB PRO 66 1HB PRO 66 7.211 -4.775 -1.358 546 1HG PRO 66 2HG PRO 66 5.526 -2.373 -0.955 547 2HG PRO 66 1HG PRO 66 5.830 -3.303 -2.426 548 1HD PRO 66 2HD PRO 66 3.525 -3.496 -0.892 549 2HD PRO 66 1HD PRO 66 4.101 -4.741 -2.022 550 H GLN 67 H GLN 67 7.882 -4.769 2.280 551 HA GLN 67 HA GLN 67 6.559 -2.561 3.755 552 1HB GLN 67 2HB GLN 67 7.377 -5.129 5.139 553 2HB GLN 67 1HB GLN 67 6.564 -3.742 5.862 554 1HG GLN 67 2HG GLN 67 4.651 -4.129 4.267 555 2HG GLN 67 1HG GLN 67 5.442 -5.627 3.773 556 1HE2 GLN 67 1HE2 GLN 67 6.452 -6.377 6.398 557 2HE2 GLN 67 2HE2 GLN 67 5.115 -6.791 7.358 558 H CYS 68 H CYS 68 8.075 -1.119 4.452 559 HA CYS 68 HA CYS 68 10.935 -2.012 4.426 560 1HB CYS 68 2HB CYS 68 9.819 0.807 4.429 561 2HB CYS 68 1HB CYS 68 11.497 0.335 4.165 562 H ASP 69 H ASP 69 11.870 -2.332 6.403 563 HA ASP 69 HA ASP 69 10.765 -0.781 8.730 564 1HB ASP 69 2HB ASP 69 10.028 -3.117 8.866 565 2HB ASP 69 1HB ASP 69 11.696 -3.666 8.698 566 H ARG 70 H ARG 70 12.287 0.390 9.792 567 HA ARG 70 HA ARG 70 15.140 -0.067 9.128 568 1HB ARG 70 2HB ARG 70 14.056 2.237 9.083 569 2HB ARG 70 1HB ARG 70 13.977 2.140 10.839 570 1HG ARG 70 2HG ARG 70 16.639 1.413 9.957 571 2HG ARG 70 1HG ARG 70 16.190 2.962 9.249 572 1HD ARG 70 2HD ARG 70 17.305 3.087 11.530 573 2HD ARG 70 1HD ARG 70 15.759 3.923 11.398 574 HE ARG 70 HE ARG 70 15.045 1.417 12.306 575 1HH1 ARG 70 1HH2 ARG 70 17.325 3.828 13.240 576 2HH1 ARG 70 2HH2 ARG 70 17.257 3.430 14.924 577 1HH2 ARG 70 1HH1 ARG 70 14.942 0.883 14.500 578 2HH2 ARG 70 2HH1 ARG 70 15.908 1.762 15.638 579 H ILE 71 H ILE 71 16.737 -0.095 10.905 580 HA ILE 71 HA ILE 71 15.908 -0.540 13.637 581 HB ILE 71 HB ILE 71 15.143 -2.680 12.695 582 1HG1 ILE 71 2HG1 ILE 71 17.730 -3.175 14.184 583 2HG1 ILE 71 1HG1 ILE 71 16.308 -2.497 14.977 584 1HG2 ILE 71 1HG2 ILE 71 16.799 -2.609 10.773 585 2HG2 ILE 71 2HG2 ILE 71 16.641 -4.180 11.560 586 3HG2 ILE 71 3HG2 ILE 71 18.030 -3.153 11.913 587 1HD1 ILE 71 1HD1 ILE 71 16.277 -5.095 13.420 588 2HD1 ILE 71 2HD1 ILE 71 14.991 -4.447 14.439 589 3HD1 ILE 71 3HD1 ILE 71 16.497 -5.007 15.168 590 H LYS 72 H LYS 72 18.351 -0.809 11.120 591 HA LYS 72 HA LYS 72 20.428 -0.149 13.171 592 1HB LYS 72 2HB LYS 72 20.519 -2.223 10.978 593 2HB LYS 72 1HB LYS 72 22.000 -1.506 11.615 594 1HG LYS 72 2HG LYS 72 21.439 -2.241 13.871 595 2HG LYS 72 1HG LYS 72 19.884 -2.859 13.312 596 1HD LYS 72 2HD LYS 72 20.933 -4.561 11.991 597 2HD LYS 72 1HD LYS 72 22.525 -3.833 12.205 598 1HE LYS 72 2HE LYS 72 22.618 -4.447 14.499 599 2HE LYS 72 1HE LYS 72 20.892 -4.807 14.552 600 1HZ LYS 72 1HZ LYS 72 22.911 -6.300 12.966 601 2HZ LYS 72 2HZ LYS 72 21.252 -6.655 13.055 602 3HZ LYS 72 3HZ LYS 72 22.234 -6.821 14.431 603 H LEU 73 H LEU 73 22.480 0.691 11.923 604 HA LEU 73 HA LEU 73 23.337 2.449 10.631 605 1HB LEU 73 2HB LEU 73 21.346 1.717 8.490 606 2HB LEU 73 1HB LEU 73 23.028 2.208 8.316 607 HG LEU 73 HG LEU 73 22.029 -0.443 9.385 608 1HD1 LEU 73 1HD1 LEU 73 21.963 -0.467 7.008 609 2HD1 LEU 73 2HD1 LEU 73 23.492 -1.237 7.431 610 3HD1 LEU 73 3HD1 LEU 73 23.471 0.438 6.880 611 1HD2 LEU 73 1HD2 LEU 73 24.561 -0.930 9.378 612 2HD2 LEU 73 2HD2 LEU 73 23.951 0.077 10.690 613 3HD2 LEU 73 3HD2 LEU 73 24.776 0.819 9.321 614 HA PRO 74 HA PRO 74 20.432 5.783 10.925 615 1HB PRO 74 2HB PRO 74 21.362 7.629 9.154 616 2HB PRO 74 1HB PRO 74 22.248 7.167 10.619 617 1HG PRO 74 2HG PRO 74 22.812 6.520 7.809 618 2HG PRO 74 1HG PRO 74 23.899 6.541 9.206 619 1HD PRO 74 2HD PRO 74 22.649 4.253 7.982 620 2HD PRO 74 1HD PRO 74 23.729 4.275 9.394 621 H CYS 75 H CYS 75 20.897 5.024 7.453 622 HA CYS 75 HA CYS 75 17.962 5.472 7.091 623 1HB CYS 75 2HB CYS 75 19.537 7.352 6.204 624 2HB CYS 75 1HB CYS 75 19.931 6.197 4.931 625 H HIS 76 H HIS 76 18.411 2.995 7.482 626 HA HIS 76 HA HIS 76 18.499 1.739 4.781 627 1HB HIS 76 2HB HIS 76 20.727 1.467 5.999 628 2HB HIS 76 1HB HIS 76 19.852 0.509 7.195 629 HD1 HIS 76 1HD HIS 76 20.475 0.552 3.433 630 HD2 HIS 76 2HD HIS 76 19.506 -2.144 6.465 631 HE1 HIS 76 1HE HIS 76 20.490 -1.752 2.377 632 HE2 HIS 76 2HE HIS 76 19.901 -3.400 4.214 633 H TYR 77 H TYR 77 17.094 -0.085 4.624 634 HA TYR 77 HA TYR 77 15.556 -0.762 7.091 635 1HB TYR 77 2HB TYR 77 14.053 -0.549 4.522 636 2HB TYR 77 1HB TYR 77 13.496 -0.275 6.171 637 HD1 TYR 77 1HD TYR 77 13.253 1.918 6.950 638 HD2 TYR 77 2HD TYR 77 15.840 1.145 3.610 639 HE1 TYR 77 1HE TYR 77 13.610 4.354 6.664 640 HE2 TYR 77 2HE TYR 77 16.196 3.582 3.321 641 HH TYR 77 HH TYR 77 15.974 5.607 4.388 642 H LYS 78 H LYS 78 14.156 -2.733 6.698 643 HA LYS 78 HA LYS 78 15.684 -4.696 5.042 644 1HB LYS 78 2HB LYS 78 15.410 -5.023 7.586 645 2HB LYS 78 1HB LYS 78 13.712 -5.351 7.241 646 1HG LYS 78 2HG LYS 78 14.579 -7.503 7.128 647 2HG LYS 78 1HG LYS 78 14.730 -7.014 5.441 648 1HD LYS 78 2HD LYS 78 17.072 -6.357 5.829 649 2HD LYS 78 1HD LYS 78 16.925 -6.811 7.526 650 1HE LYS 78 2HE LYS 78 16.358 -8.770 5.297 651 2HE LYS 78 1HE LYS 78 17.979 -8.552 5.958 652 1HZ LYS 78 1HZ LYS 78 15.961 -10.130 6.981 653 2HZ LYS 78 2HZ LYS 78 16.074 -8.807 8.040 654 3HZ LYS 78 3HZ LYS 78 17.443 -9.760 7.719 655 H LEU 79 H LEU 79 14.524 -6.041 3.619 656 HA LEU 79 HA LEU 79 11.894 -4.966 2.792 657 1HB LEU 79 2HB LEU 79 13.979 -5.633 1.279 658 2HB LEU 79 1HB LEU 79 13.253 -7.236 1.377 659 HG LEU 79 HG LEU 79 11.826 -4.717 0.466 660 1HD1 LEU 79 1HD1 LEU 79 12.877 -7.116 -1.065 661 2HD1 LEU 79 2HD1 LEU 79 13.471 -5.459 -1.179 662 3HD1 LEU 79 3HD1 LEU 79 11.851 -5.857 -1.753 663 1HD2 LEU 79 1HD2 LEU 79 10.979 -7.582 0.883 664 2HD2 LEU 79 2HD2 LEU 79 10.175 -6.587 -0.331 665 3HD2 LEU 79 3HD2 LEU 79 10.150 -6.102 1.363 666 H SER 80 H SER 80 10.050 -5.938 3.434 667 HA SER 80 HA SER 80 10.016 -8.877 3.866 668 1HB SER 80 2HB SER 80 10.390 -8.024 6.103 669 2HB SER 80 1HB SER 80 9.143 -6.798 5.895 670 HG SER 80 HG SER 80 8.700 -9.600 5.752 671 H SER 81 H SER 81 8.180 -9.725 2.949 672 HA SER 81 HA SER 81 5.774 -7.996 2.701 673 1HB SER 81 2HB SER 81 5.662 -8.075 0.384 674 2HB SER 81 1HB SER 81 7.407 -8.000 0.607 675 HG SER 81 HG SER 81 7.126 -9.720 -0.687 676 H SER 82 H SER 82 3.842 -9.262 2.115 677 HA SER 82 HA SER 82 4.000 -12.177 2.132 678 1HB SER 82 2HB SER 82 2.526 -12.330 4.213 679 2HB SER 82 1HB SER 82 4.213 -11.914 4.504 680 HG SER 82 HG SER 82 3.556 -10.089 5.291 681 H THR 83 H THR 83 1.801 -13.130 1.913 682 HA THR 83 HA THR 83 0.012 -11.215 0.517 683 HB THR 83 HB THR 83 -0.858 -13.724 -0.128 684 HG1 THR 83 1HG THR 83 0.982 -14.491 1.141 685 1HG2 THR 83 1HG2 THR 83 0.427 -13.419 -2.209 686 2HG2 THR 83 2HG2 THR 83 1.410 -12.192 -1.410 687 3HG2 THR 83 3HG2 THR 83 -0.307 -11.901 -1.690 688 H ASN 84 H ASN 84 -1.739 -10.610 1.668 689 HA ASN 84 HA ASN 84 -3.371 -12.611 3.043 690 1HB ASN 84 2HB ASN 84 -3.290 -11.414 5.244 691 2HB ASN 84 1HB ASN 84 -1.757 -12.175 4.814 692 1HD2 ASN 84 1HD2 ASN 84 -0.428 -10.651 5.989 693 2HD2 ASN 84 2HD2 ASN 84 -0.281 -9.028 5.511 694 H THR 85 H THR 85 -5.470 -11.695 3.681 695 HA THR 85 HA THR 85 -6.416 -9.694 1.874 696 HB THR 85 HB THR 85 -8.018 -10.051 4.316 697 HG1 THR 85 1HG THR 85 -6.648 -12.021 4.069 698 1HG2 THR 85 1HG2 THR 85 -8.372 -10.601 1.366 699 2HG2 THR 85 2HG2 THR 85 -9.102 -9.317 2.331 700 3HG2 THR 85 3HG2 THR 85 -9.610 -10.989 2.559 701 H ILE 86 H ILE 86 -7.122 -7.506 2.396 702 HA ILE 86 HA ILE 86 -6.028 -6.394 4.936 703 HB ILE 86 HB ILE 86 -4.530 -5.015 3.909 704 1HG1 ILE 86 2HG1 ILE 86 -6.545 -4.768 1.648 705 2HG1 ILE 86 1HG1 ILE 86 -6.210 -3.575 2.905 706 1HG2 ILE 86 1HG2 ILE 86 -5.061 -6.806 1.518 707 2HG2 ILE 86 2HG2 ILE 86 -4.099 -7.280 2.917 708 3HG2 ILE 86 3HG2 ILE 86 -3.560 -5.958 1.888 709 1HD1 ILE 86 1HD1 ILE 86 -3.814 -3.554 2.046 710 2HD1 ILE 86 2HD1 ILE 86 -5.028 -2.834 0.989 711 3HD1 ILE 86 3HD1 ILE 86 -4.413 -4.451 0.650 712 H CYS 87 H CYS 87 -7.338 -4.862 5.828 713 HA CYS 87 HA CYS 87 -9.900 -4.307 4.490 714 1HB CYS 87 2HB CYS 87 -8.815 -4.081 7.254 715 2HB CYS 87 1HB CYS 87 -10.080 -2.936 6.807 716 H ILE 88 H ILE 88 -10.466 -2.373 3.641 717 HA ILE 88 HA ILE 88 -8.798 0.017 4.156 718 HB ILE 88 HB ILE 88 -7.566 -0.342 2.276 719 1HG1 ILE 88 2HG1 ILE 88 -10.163 0.056 0.759 720 2HG1 ILE 88 1HG1 ILE 88 -9.261 1.375 1.506 721 1HG2 ILE 88 1HG2 ILE 88 -9.716 -2.294 1.414 722 2HG2 ILE 88 2HG2 ILE 88 -8.183 -2.690 2.183 723 3HG2 ILE 88 3HG2 ILE 88 -8.203 -2.030 0.551 724 1HD1 ILE 88 1HD1 ILE 88 -8.431 -0.403 -0.782 725 2HD1 ILE 88 2HD1 ILE 88 -7.235 0.485 0.163 726 3HD1 ILE 88 3HD1 ILE 88 -8.487 1.358 -0.718 727 H THR 89 H THR 89 -9.896 2.002 3.440 728 HA THR 89 HA THR 89 -12.841 1.556 3.144 729 HB THR 89 HB THR 89 -11.210 3.523 4.641 730 HG1 THR 89 1HG THR 89 -13.649 2.173 4.832 731 1HG2 THR 89 1HG2 THR 89 -13.126 5.194 4.524 732 2HG2 THR 89 2HG2 THR 89 -13.693 4.319 3.103 733 3HG2 THR 89 3HG2 THR 89 -12.116 5.109 3.081 734 H CYS 90 H CYS 90 -13.877 2.356 1.385 735 HA CYS 90 HA CYS 90 -12.307 4.040 -0.536 736 1HB CYS 90 2HB CYS 90 -12.590 1.547 -1.135 737 2HB CYS 90 1HB CYS 90 -14.295 1.923 -1.371 738 H VAL 91 H VAL 91 -13.514 5.644 -1.610 739 HA VAL 91 HA VAL 91 -16.085 6.333 -0.352 740 HB VAL 91 HB VAL 91 -15.878 8.428 -1.632 741 1HG1 VAL 91 1HG1 VAL 91 -13.223 7.625 -0.407 742 2HG1 VAL 91 2HG1 VAL 91 -14.641 8.101 0.529 743 3HG1 VAL 91 3HG1 VAL 91 -13.867 9.260 -0.553 744 1HG2 VAL 91 1HG2 VAL 91 -13.607 6.905 -2.912 745 2HG2 VAL 91 2HG2 VAL 91 -13.641 8.668 -2.918 746 3HG2 VAL 91 3HG2 VAL 91 -14.934 7.759 -3.700 747 H ASN 92 H ASN 92 -16.894 7.735 -2.922 748 HA ASN 92 HA ASN 92 -18.853 6.042 -3.864 749 1HB ASN 92 2HB ASN 92 -17.245 8.050 -5.448 750 2HB ASN 92 1HB ASN 92 -18.744 7.316 -6.019 751 1HD2 ASN 92 1HD2 ASN 92 -20.056 7.300 -3.377 752 2HD2 ASN 92 2HD2 ASN 92 -20.424 8.916 -3.009 753 H GLN 93 H GLN 93 -15.559 6.223 -5.003 754 HA GLN 93 HA GLN 93 -15.375 3.458 -5.645 755 1HB GLN 93 2HB GLN 93 -15.252 3.758 -8.187 756 2HB GLN 93 1HB GLN 93 -16.866 3.793 -7.477 757 1HG GLN 93 2HG GLN 93 -16.808 6.261 -7.461 758 2HG GLN 93 1HG GLN 93 -15.194 6.227 -8.174 759 1HE2 GLN 93 1HE2 GLN 93 -16.837 3.621 -9.473 760 2HE2 GLN 93 2HE2 GLN 93 -17.423 4.347 -10.890 761 H LEU 94 H LEU 94 -13.692 5.113 -4.311 762 HA LEU 94 HA LEU 94 -11.270 5.025 -5.999 763 1HB LEU 94 2HB LEU 94 -12.379 7.537 -4.734 764 2HB LEU 94 1HB LEU 94 -10.663 7.363 -5.073 765 HG LEU 94 HG LEU 94 -11.770 6.580 -7.473 766 1HD1 LEU 94 1HD1 LEU 94 -13.374 8.996 -6.645 767 2HD1 LEU 94 2HD1 LEU 94 -14.010 7.368 -6.423 768 3HD1 LEU 94 3HD1 LEU 94 -13.610 7.942 -8.041 769 1HD2 LEU 94 1HD2 LEU 94 -11.216 8.961 -8.192 770 2HD2 LEU 94 2HD2 LEU 94 -9.923 8.103 -7.354 771 3HD2 LEU 94 3HD2 LEU 94 -10.886 9.305 -6.493 772 HA PRO 95 HA PRO 95 -10.216 3.494 -1.869 773 1HB PRO 95 2HB PRO 95 -7.711 2.572 -2.490 774 2HB PRO 95 1HB PRO 95 -9.197 1.685 -2.880 775 1HG PRO 95 2HG PRO 95 -7.465 3.345 -4.635 776 2HG PRO 95 1HG PRO 95 -8.340 1.847 -4.996 777 1HD PRO 95 2HD PRO 95 -9.213 4.354 -5.744 778 2HD PRO 95 1HD PRO 95 -10.294 2.961 -5.508 779 H ILE 96 H ILE 96 -9.471 4.820 -0.222 780 HA ILE 96 HA ILE 96 -7.034 6.440 -0.754 781 HB ILE 96 HB ILE 96 -8.090 8.467 0.113 782 1HG1 ILE 96 2HG1 ILE 96 -10.695 8.326 0.272 783 2HG1 ILE 96 1HG1 ILE 96 -10.434 6.596 0.480 784 1HG2 ILE 96 1HG2 ILE 96 -8.287 7.666 -2.353 785 2HG2 ILE 96 2HG2 ILE 96 -9.308 9.000 -1.825 786 3HG2 ILE 96 3HG2 ILE 96 -9.981 7.376 -1.964 787 1HD1 ILE 96 1HD1 ILE 96 -8.706 8.281 2.182 788 2HD1 ILE 96 2HD1 ILE 96 -9.648 6.853 2.591 789 3HD1 ILE 96 3HD1 ILE 96 -10.430 8.428 2.522 790 H HIS 97 H HIS 97 -8.807 4.465 1.456 791 HA HIS 97 HA HIS 97 -6.981 5.446 3.634 792 1HB HIS 97 2HB HIS 97 -9.871 4.907 3.628 793 2HB HIS 97 1HB HIS 97 -9.018 4.113 4.950 794 HD1 HIS 97 1HD HIS 97 -6.876 6.179 5.612 795 HD2 HIS 97 2HD HIS 97 -10.847 7.206 4.848 796 HE1 HIS 97 1HE HIS 97 -7.257 8.434 6.706 797 HE2 HIS 97 2HE HIS 97 -9.670 9.068 6.247 798 H PHE 98 H PHE 98 -5.831 3.928 4.761 799 HA PHE 98 HA PHE 98 -6.030 1.101 3.790 800 1HB PHE 98 2HB PHE 98 -3.862 2.010 3.258 801 2HB PHE 98 1HB PHE 98 -3.695 2.709 4.868 802 HD1 PHE 98 1HD PHE 98 -2.224 1.572 6.271 803 HD2 PHE 98 2HD PHE 98 -4.543 -0.660 3.424 804 HE1 PHE 98 1HE PHE 98 -1.184 -0.532 7.071 805 HE2 PHE 98 2HE PHE 98 -3.503 -2.763 4.226 806 HZ PHE 98 HZ PHE 98 -1.824 -2.699 6.049 807 H ALA 99 H ALA 99 -7.421 0.204 5.314 808 HA ALA 99 HA ALA 99 -7.576 0.910 8.053 809 1HB ALA 99 1HB ALA 99 -9.021 -0.888 8.267 810 2HB ALA 99 2HB ALA 99 -8.035 -1.937 7.254 811 3HB ALA 99 3HB ALA 99 -9.047 -0.696 6.515 812 H GLY 100 H GLY 100 -6.152 -2.165 6.881 813 1HA GLY 100 2HA GLY 100 -3.639 -1.796 8.205 814 2HA GLY 100 1HA GLY 100 -4.717 -2.720 9.252 815 H VAL 101 H VAL 101 -2.981 -4.409 8.850 816 HA VAL 101 HA VAL 101 -3.152 -5.698 6.182 817 HB VAL 101 HB VAL 101 -1.480 -6.472 8.590 818 1HG1 VAL 101 1HG1 VAL 101 -1.681 -8.320 7.078 819 2HG1 VAL 101 2HG1 VAL 101 -0.115 -7.579 6.747 820 3HG1 VAL 101 3HG1 VAL 101 -1.479 -7.275 5.672 821 1HG2 VAL 101 1HG2 VAL 101 -1.001 -4.167 7.724 822 2HG2 VAL 101 2HG2 VAL 101 -0.689 -4.870 6.137 823 3HG2 VAL 101 3HG2 VAL 101 0.348 -5.281 7.502 824 H GLY 102 H GLY 102 -3.633 -8.021 6.058 825 1HA GLY 102 2HA GLY 102 -4.851 -9.951 6.628 826 2HA GLY 102 1HA GLY 102 -4.748 -9.442 8.314 827 H SER 103 H SER 103 -7.090 -10.379 8.052 828 HA SER 103 HA SER 103 -9.036 -8.676 6.737 829 1HB SER 103 2HB SER 103 -10.696 -10.073 7.968 830 2HB SER 103 1HB SER 103 -9.520 -11.043 7.087 831 HG SER 103 HG SER 103 -9.768 -10.563 9.844 832 H CYS 104 H CYS 104 -10.767 -7.519 7.949 833 HA CYS 104 HA CYS 104 -9.820 -5.541 9.663 834 1HB CYS 104 2HB CYS 104 -12.532 -6.728 9.193 835 2HB CYS 104 1HB CYS 104 -12.335 -5.576 10.513 836 HA PRO 105 HA PRO 105 -8.873 -7.046 13.699 837 1HB PRO 105 2HB PRO 105 -11.232 -5.429 14.619 838 2HB PRO 105 1HB PRO 105 -9.595 -5.513 15.298 839 1HG PRO 105 2HG PRO 105 -10.401 -3.477 13.740 840 2HG PRO 105 1HG PRO 105 -8.732 -4.068 13.749 841 1HD PRO 105 2HD PRO 105 -10.763 -4.304 11.623 842 2HD PRO 105 1HD PRO 105 -9.002 -4.519 11.524 Start of MODEL 9 1 HN PCA 1 H PCA 1 -6.930 9.083 0.986 2 HA PCA 1 HA PCA 1 -8.284 11.252 1.645 3 1HB PCA 1 1HB PCA 1 -6.886 12.591 2.834 4 2HB PCA 1 2HB PCA 1 -6.123 13.001 1.317 5 1HG PCA 1 1HG PCA 1 -5.016 11.648 3.335 6 2HG PCA 1 2HG PCA 1 -4.500 11.588 1.633 7 H ASP 2 H ASP 2 -6.515 9.791 -0.717 8 HA ASP 2 HA ASP 2 -7.981 11.050 -2.822 9 1HB ASP 2 2HB ASP 2 -5.331 12.217 -2.121 10 2HB ASP 2 1HB ASP 2 -5.622 11.936 -3.838 11 H TRP 3 H TRP 3 -8.139 9.374 -4.223 12 HA TRP 3 HA TRP 3 -6.726 6.983 -4.114 13 1HB TRP 3 2HB TRP 3 -8.624 6.928 -5.479 14 2HB TRP 3 1HB TRP 3 -8.176 8.403 -6.330 15 HD1 TRP 3 HD TRP 3 -7.709 7.838 -8.733 16 HE1 TRP 3 1HE TRP 3 -6.432 5.994 -10.001 17 HE3 TRP 3 3HE TRP 3 -6.336 4.853 -4.817 18 HZ2 TRP 3 2HZ TRP 3 -5.023 3.575 -9.433 19 HZ3 TRP 3 3HZ TRP 3 -5.030 2.790 -5.213 20 HH2 TRP 3 HH TRP 3 -4.374 2.144 -7.514 21 H GLU 4 H GLU 4 -5.747 9.998 -5.629 22 HA GLU 4 HA GLU 4 -3.582 8.957 -7.192 23 1HB GLU 4 2HB GLU 4 -4.063 11.668 -5.931 24 2HB GLU 4 1HB GLU 4 -2.667 11.324 -6.954 25 1HG GLU 4 2HG GLU 4 -5.513 10.807 -7.843 26 2HG GLU 4 1HG GLU 4 -4.676 12.329 -8.154 27 H THR 5 H THR 5 -3.027 10.987 -4.301 28 HA THR 5 HA THR 5 -0.462 9.988 -3.759 29 HB THR 5 HB THR 5 -1.458 11.956 -2.631 30 HG1 THR 5 1HG THR 5 -0.207 11.644 -0.951 31 1HG2 THR 5 1HG2 THR 5 -3.664 10.629 -2.213 32 2HG2 THR 5 2HG2 THR 5 -3.129 11.786 -0.995 33 3HG2 THR 5 3HG2 THR 5 -2.849 10.061 -0.756 34 H PHE 6 H PHE 6 -3.560 8.858 -2.346 35 HA PHE 6 HA PHE 6 -2.554 6.781 -0.763 36 1HB PHE 6 2HB PHE 6 -4.907 7.214 -0.674 37 2HB PHE 6 1HB PHE 6 -5.091 6.955 -2.408 38 HD1 PHE 6 1HD PHE 6 -5.077 5.395 0.859 39 HD2 PHE 6 2HD PHE 6 -4.660 4.628 -3.346 40 HE1 PHE 6 1HE PHE 6 -5.524 2.986 1.242 41 HE2 PHE 6 2HE PHE 6 -5.108 2.224 -2.957 42 HZ PHE 6 HZ PHE 6 -5.540 1.403 -0.660 43 H GLN 7 H GLN 7 -2.646 7.073 -4.226 44 HA GLN 7 HA GLN 7 -2.055 4.203 -4.612 45 1HB GLN 7 2HB GLN 7 -3.502 5.251 -6.265 46 2HB GLN 7 1HB GLN 7 -2.301 6.495 -6.586 47 1HG GLN 7 2HG GLN 7 -1.495 3.623 -6.889 48 2HG GLN 7 1HG GLN 7 -2.492 4.351 -8.145 49 1HE2 GLN 7 1HE2 GLN 7 -0.572 6.748 -6.662 50 2HE2 GLN 7 2HE2 GLN 7 0.682 6.788 -7.804 51 H LYS 8 H LYS 8 -0.412 7.195 -4.170 52 HA LYS 8 HA LYS 8 2.056 6.290 -5.494 53 1HB LYS 8 2HB LYS 8 1.560 8.727 -3.765 54 2HB LYS 8 1HB LYS 8 2.948 8.456 -4.819 55 1HG LYS 8 2HG LYS 8 0.205 8.283 -6.022 56 2HG LYS 8 1HG LYS 8 0.854 9.879 -5.655 57 1HD LYS 8 2HD LYS 8 2.845 9.416 -7.001 58 2HD LYS 8 1HD LYS 8 2.275 7.777 -7.317 59 1HE LYS 8 2HE LYS 8 0.364 8.608 -8.544 60 2HE LYS 8 1HE LYS 8 0.736 10.270 -8.086 61 1HZ LYS 8 1HZ LYS 8 2.472 10.383 -9.529 62 2HZ LYS 8 2HZ LYS 8 1.493 9.287 -10.380 63 3HZ LYS 8 3HZ LYS 8 2.804 8.721 -9.460 64 H LYS 9 H LYS 9 1.129 7.096 -2.108 65 HA LYS 9 HA LYS 9 3.659 5.943 -1.158 66 1HB LYS 9 2HB LYS 9 2.466 6.475 1.134 67 2HB LYS 9 1HB LYS 9 3.101 7.782 0.138 68 1HG LYS 9 2HG LYS 9 0.965 8.375 -0.670 69 2HG LYS 9 1HG LYS 9 0.259 6.832 -0.189 70 1HD LYS 9 2HD LYS 9 0.535 7.419 2.179 71 2HD LYS 9 1HD LYS 9 1.289 8.947 1.724 72 1HE LYS 9 2HE LYS 9 -0.720 9.824 0.862 73 2HE LYS 9 1HE LYS 9 -1.459 8.231 0.715 74 1HZ LYS 9 1HZ LYS 9 -0.788 9.595 3.265 75 2HZ LYS 9 2HZ LYS 9 -1.505 8.062 3.120 76 3HZ LYS 9 3HZ LYS 9 -2.343 9.447 2.604 77 H HIS 10 H HIS 10 0.177 5.167 -0.631 78 HA HIS 10 HA HIS 10 0.824 2.771 0.851 79 1HB HIS 10 2HB HIS 10 -1.785 3.357 -0.554 80 2HB HIS 10 1HB HIS 10 -1.524 2.307 0.837 81 HD1 HIS 10 1HD HIS 10 -3.131 5.260 0.400 82 HD2 HIS 10 2HD HIS 10 0.170 4.331 2.777 83 HE1 HIS 10 1HE HIS 10 -3.027 7.032 2.209 84 HE2 HIS 10 2HE HIS 10 -1.022 6.477 3.661 85 H LEU 11 H LEU 11 0.909 3.428 -2.497 86 HA LEU 11 HA LEU 11 0.965 0.474 -3.045 87 1HB LEU 11 2HB LEU 11 -0.499 2.665 -4.466 88 2HB LEU 11 1HB LEU 11 0.190 1.374 -5.443 89 HG LEU 11 HG LEU 11 -0.995 -0.284 -4.002 90 1HD1 LEU 11 1HD1 LEU 11 -1.707 2.210 -2.567 91 2HD1 LEU 11 2HD1 LEU 11 -1.600 0.558 -1.968 92 3HD1 LEU 11 3HD1 LEU 11 -3.045 1.089 -2.817 93 1HD2 LEU 11 1HD2 LEU 11 -3.291 0.288 -4.888 94 2HD2 LEU 11 2HD2 LEU 11 -2.007 0.335 -6.097 95 3HD2 LEU 11 3HD2 LEU 11 -2.629 1.837 -5.412 96 H THR 12 H THR 12 2.407 -0.145 -4.764 97 HA THR 12 HA THR 12 4.313 1.980 -5.647 98 HB THR 12 HB THR 12 5.484 0.948 -3.825 99 HG1 THR 12 1HG THR 12 7.158 0.776 -5.046 100 1HG2 THR 12 1HG2 THR 12 5.259 -1.217 -3.200 101 2HG2 THR 12 2HG2 THR 12 5.514 -1.803 -4.842 102 3HG2 THR 12 3HG2 THR 12 3.909 -1.281 -4.332 103 H ASP 13 H ASP 13 6.007 0.354 -7.158 104 HA ASP 13 HA ASP 13 4.093 -0.830 -9.141 105 1HB ASP 13 2HB ASP 13 6.720 0.572 -9.707 106 2HB ASP 13 1HB ASP 13 5.582 -0.046 -10.905 107 H THR 14 H THR 14 5.979 -2.004 -6.901 108 HA THR 14 HA THR 14 6.712 -4.335 -8.500 109 HB THR 14 HB THR 14 8.620 -2.793 -8.941 110 HG1 THR 14 1HG THR 14 9.103 -5.057 -7.311 111 1HG2 THR 14 1HG2 THR 14 8.441 -1.607 -6.736 112 2HG2 THR 14 2HG2 THR 14 10.081 -2.119 -7.134 113 3HG2 THR 14 3HG2 THR 14 9.129 -3.038 -5.968 114 H LYS 15 H LYS 15 6.958 -6.156 -7.197 115 HA LYS 15 HA LYS 15 5.972 -5.997 -4.497 116 1HB LYS 15 2HB LYS 15 6.803 -8.440 -4.438 117 2HB LYS 15 1HB LYS 15 5.568 -8.043 -5.635 118 1HG LYS 15 2HG LYS 15 7.152 -7.973 -7.407 119 2HG LYS 15 1HG LYS 15 8.515 -7.923 -6.289 120 1HD LYS 15 2HD LYS 15 8.336 -10.169 -7.210 121 2HD LYS 15 1HD LYS 15 7.896 -10.215 -5.503 122 1HE LYS 15 2HE LYS 15 5.574 -10.354 -5.994 123 2HE LYS 15 1HE LYS 15 5.822 -9.880 -7.674 124 1HZ LYS 15 1HZ LYS 15 5.477 -12.354 -7.107 125 2HZ LYS 15 2HZ LYS 15 7.103 -12.312 -6.617 126 3HZ LYS 15 3HZ LYS 15 6.685 -11.931 -8.218 127 H LYS 16 H LYS 16 9.092 -5.634 -5.892 128 HA LYS 16 HA LYS 16 10.358 -5.864 -3.187 129 1HB LYS 16 2HB LYS 16 12.505 -6.167 -4.482 130 2HB LYS 16 1HB LYS 16 11.346 -7.481 -4.685 131 1HG LYS 16 2HG LYS 16 10.524 -6.224 -6.770 132 2HG LYS 16 1HG LYS 16 11.984 -5.246 -6.620 133 1HD LYS 16 2HD LYS 16 13.260 -7.482 -6.532 134 2HD LYS 16 1HD LYS 16 11.767 -8.214 -7.122 135 1HE LYS 16 2HE LYS 16 13.519 -6.173 -8.487 136 2HE LYS 16 1HE LYS 16 12.984 -7.740 -9.093 137 1HZ LYS 16 1HZ LYS 16 10.828 -6.955 -9.426 138 2HZ LYS 16 2HZ LYS 16 11.814 -5.688 -9.980 139 3HZ LYS 16 3HZ LYS 16 11.066 -5.582 -8.457 140 H VAL 17 H VAL 17 9.224 -3.535 -3.315 141 HA VAL 17 HA VAL 17 10.282 -1.428 -4.838 142 HB VAL 17 HB VAL 17 9.701 0.053 -2.936 143 1HG1 VAL 17 1HG1 VAL 17 7.597 -2.083 -3.170 144 2HG1 VAL 17 2HG1 VAL 17 7.999 -1.041 -4.529 145 3HG1 VAL 17 3HG1 VAL 17 7.381 -0.340 -3.033 146 1HG2 VAL 17 1HG2 VAL 17 9.530 -2.605 -1.513 147 2HG2 VAL 17 2HG2 VAL 17 8.622 -1.207 -0.941 148 3HG2 VAL 17 3HG2 VAL 17 10.382 -1.145 -1.014 149 H LYS 18 H LYS 18 11.751 0.309 -4.018 150 HA LYS 18 HA LYS 18 14.189 -0.947 -2.868 151 1HB LYS 18 2HB LYS 18 15.221 1.301 -3.656 152 2HB LYS 18 1HB LYS 18 14.750 0.142 -4.900 153 1HG LYS 18 2HG LYS 18 12.662 1.315 -5.288 154 2HG LYS 18 1HG LYS 18 12.969 2.394 -3.928 155 1HD LYS 18 2HD LYS 18 13.637 3.692 -5.768 156 2HD LYS 18 1HD LYS 18 15.162 3.004 -5.212 157 1HE LYS 18 2HE LYS 18 14.906 2.817 -7.674 158 2HE LYS 18 1HE LYS 18 15.007 1.233 -6.905 159 1HZ LYS 18 1HZ LYS 18 12.414 2.544 -7.461 160 2HZ LYS 18 2HZ LYS 18 12.718 0.907 -7.123 161 3HZ LYS 18 3HZ LYS 18 13.189 1.571 -8.614 162 H CYS 19 H CYS 19 12.709 -0.797 -0.855 163 HA CYS 19 HA CYS 19 11.773 1.272 0.542 164 1HB CYS 19 2HB CYS 19 13.707 -0.834 1.508 165 2HB CYS 19 1HB CYS 19 12.966 0.322 2.615 166 H ASP 20 H ASP 20 15.280 0.756 0.115 167 HA ASP 20 HA ASP 20 16.339 2.740 1.741 168 1HB ASP 20 2HB ASP 20 17.631 1.175 0.236 169 2HB ASP 20 1HB ASP 20 17.253 2.254 -1.106 170 H VAL 21 H VAL 21 14.904 3.161 -1.476 171 HA VAL 21 HA VAL 21 15.093 6.119 -1.129 172 HB VAL 21 HB VAL 21 14.159 4.731 -3.629 173 1HG1 VAL 21 1HG1 VAL 21 15.666 7.302 -3.066 174 2HG1 VAL 21 2HG1 VAL 21 13.963 7.173 -3.501 175 3HG1 VAL 21 3HG1 VAL 21 15.206 6.730 -4.669 176 1HG2 VAL 21 1HG2 VAL 21 16.228 3.591 -3.092 177 2HG2 VAL 21 2HG2 VAL 21 17.017 5.117 -2.697 178 3HG2 VAL 21 3HG2 VAL 21 16.569 4.762 -4.366 179 H GLU 22 H GLU 22 12.842 3.433 -1.500 180 HA GLU 22 HA GLU 22 10.463 4.902 -1.982 181 1HB GLU 22 2HB GLU 22 11.097 2.231 -1.474 182 2HB GLU 22 1HB GLU 22 10.083 2.680 -0.103 183 1HG GLU 22 2HG GLU 22 8.636 1.869 -1.865 184 2HG GLU 22 1HG GLU 22 8.412 3.614 -1.737 185 H MET 23 H MET 23 12.593 5.102 0.579 186 HA MET 23 HA MET 23 10.528 6.442 2.284 187 1HB MET 23 2HB MET 23 12.867 4.830 3.340 188 2HB MET 23 1HB MET 23 11.565 5.560 4.279 189 1HG MET 23 2HG MET 23 9.943 4.048 3.363 190 2HG MET 23 1HG MET 23 11.085 3.456 2.157 191 1HE MET 23 1HE MET 23 11.082 2.814 6.665 192 2HE MET 23 2HE MET 23 10.389 4.128 5.719 193 3HE MET 23 3HE MET 23 12.115 4.120 6.066 194 H ALA 24 H ALA 24 14.043 6.082 1.681 195 HA ALA 24 HA ALA 24 14.703 8.575 2.981 196 1HB ALA 24 1HB ALA 24 16.375 7.291 0.822 197 2HB ALA 24 2HB ALA 24 16.265 6.583 2.434 198 3HB ALA 24 3HB ALA 24 16.912 8.209 2.228 199 H LYS 25 H LYS 25 12.970 8.041 0.227 200 HA LYS 25 HA LYS 25 14.067 9.876 -1.646 201 1HB LYS 25 2HB LYS 25 11.645 10.071 -2.455 202 2HB LYS 25 1HB LYS 25 12.333 8.453 -2.426 203 1HG LYS 25 2HG LYS 25 11.307 8.310 -0.027 204 2HG LYS 25 1HG LYS 25 10.321 9.675 -0.544 205 1HD LYS 25 2HD LYS 25 10.546 7.149 -2.187 206 2HD LYS 25 1HD LYS 25 9.341 7.329 -0.917 207 1HE LYS 25 2HE LYS 25 9.358 9.675 -2.633 208 2HE LYS 25 1HE LYS 25 9.119 8.211 -3.584 209 1HZ LYS 25 1HZ LYS 25 7.160 9.465 -2.310 210 2HZ LYS 25 2HZ LYS 25 7.625 8.367 -1.101 211 3HZ LYS 25 3HZ LYS 25 7.145 7.800 -2.628 212 H ALA 26 H ALA 26 11.369 11.487 -1.654 213 HA ALA 26 HA ALA 26 12.237 13.465 0.427 214 1HB ALA 26 1HB ALA 26 12.726 14.339 -1.771 215 2HB ALA 26 2HB ALA 26 11.322 15.201 -1.141 216 3HB ALA 26 3HB ALA 26 11.108 13.928 -2.343 217 H LEU 27 H LEU 27 9.620 11.560 -0.776 218 HA LEU 27 HA LEU 27 7.558 13.292 0.393 219 1HB LEU 27 2HB LEU 27 6.572 12.255 -1.384 220 2HB LEU 27 1HB LEU 27 7.689 10.899 -1.338 221 HG LEU 27 HG LEU 27 5.468 11.244 0.689 222 1HD1 LEU 27 1HD1 LEU 27 4.548 11.134 -1.616 223 2HD1 LEU 27 2HD1 LEU 27 4.149 9.700 -0.671 224 3HD1 LEU 27 3HD1 LEU 27 5.433 9.631 -1.876 225 1HD2 LEU 27 1HD2 LEU 27 7.670 9.405 0.362 226 2HD2 LEU 27 2HD2 LEU 27 6.162 8.525 0.122 227 3HD2 LEU 27 3HD2 LEU 27 6.431 9.420 1.615 228 H PHE 28 H PHE 28 9.719 10.948 1.533 229 HA PHE 28 HA PHE 28 7.951 10.386 3.892 230 1HB PHE 28 2HB PHE 28 9.850 8.685 2.354 231 2HB PHE 28 1HB PHE 28 9.865 8.476 4.101 232 HD1 PHE 28 1HD PHE 28 7.324 8.542 5.140 233 HD2 PHE 28 2HD PHE 28 8.423 7.253 1.195 234 HE1 PHE 28 1HE PHE 28 5.254 7.186 5.008 235 HE2 PHE 28 2HE PHE 28 6.354 5.896 1.061 236 HZ PHE 28 HZ PHE 28 4.768 5.863 2.967 237 H ASP 29 H ASP 29 11.387 10.762 2.970 238 HA ASP 29 HA ASP 29 12.972 12.203 4.006 239 1HB ASP 29 2HB ASP 29 10.857 13.289 5.143 240 2HB ASP 29 1HB ASP 29 11.357 12.333 6.538 241 H CYS 30 H CYS 30 12.902 9.350 4.023 242 HA CYS 30 HA CYS 30 13.944 7.531 5.069 243 1HB CYS 30 2HB CYS 30 15.868 9.073 4.920 244 2HB CYS 30 1HB CYS 30 15.429 9.768 6.478 245 H LYS 31 H LYS 31 11.699 7.327 6.199 246 HA LYS 31 HA LYS 31 11.615 8.088 9.021 247 1HB LYS 31 2HB LYS 31 9.854 6.060 7.628 248 2HB LYS 31 1HB LYS 31 9.480 6.986 9.076 249 1HG LYS 31 2HG LYS 31 9.871 8.116 6.293 250 2HG LYS 31 1HG LYS 31 8.330 7.933 7.122 251 1HD LYS 31 2HD LYS 31 10.626 9.738 7.931 252 2HD LYS 31 1HD LYS 31 9.044 10.233 7.343 253 1HE LYS 31 2HE LYS 31 8.143 8.853 9.387 254 2HE LYS 31 1HE LYS 31 9.776 9.074 10.015 255 1HZ LYS 31 1HZ LYS 31 9.549 11.425 9.842 256 2HZ LYS 31 2HZ LYS 31 8.194 10.835 10.680 257 3HZ LYS 31 3HZ LYS 31 8.057 11.288 9.048 258 H LYS 32 H LYS 32 10.335 5.216 9.357 259 HA LYS 32 HA LYS 32 12.867 3.679 9.689 260 1HB LYS 32 2HB LYS 32 12.218 3.054 11.987 261 2HB LYS 32 1HB LYS 32 12.435 4.799 11.846 262 1HG LYS 32 2HG LYS 32 9.958 5.012 11.478 263 2HG LYS 32 1HG LYS 32 9.806 3.290 11.826 264 1HD LYS 32 2HD LYS 32 11.160 5.186 13.751 265 2HD LYS 32 1HD LYS 32 9.419 4.909 13.791 266 1HE LYS 32 2HE LYS 32 9.945 2.416 13.934 267 2HE LYS 32 1HE LYS 32 11.624 2.878 14.215 268 1HZ LYS 32 1HZ LYS 32 10.247 2.527 16.256 269 2HZ LYS 32 2HZ LYS 32 9.368 3.917 15.831 270 3HZ LYS 32 3HZ LYS 32 11.029 4.029 16.169 271 H THR 33 H THR 33 9.347 3.741 9.498 272 HA THR 33 HA THR 33 9.429 0.894 8.604 273 HB THR 33 HB THR 33 7.230 1.966 10.383 274 HG1 THR 33 1HG THR 33 9.736 1.410 11.054 275 1HG2 THR 33 1HG2 THR 33 6.651 -0.353 10.632 276 2HG2 THR 33 2HG2 THR 33 8.139 -0.868 9.838 277 3HG2 THR 33 3HG2 THR 33 6.876 -0.063 8.907 278 H ASN 34 H ASN 34 8.274 0.602 6.743 279 HA ASN 34 HA ASN 34 6.120 2.542 6.066 280 1HB ASN 34 2HB ASN 34 8.661 2.079 4.528 281 2HB ASN 34 1HB ASN 34 7.182 2.477 3.659 282 1HD2 ASN 34 1HD2 ASN 34 7.622 4.659 3.091 283 2HD2 ASN 34 2HD2 ASN 34 7.915 5.882 4.232 284 H THR 35 H THR 35 4.631 1.719 4.496 285 HA THR 35 HA THR 35 4.971 -1.135 3.717 286 HB THR 35 HB THR 35 2.611 0.048 5.204 287 HG1 THR 35 1HG THR 35 3.285 -1.193 6.780 288 1HG2 THR 35 1HG2 THR 35 2.874 -2.476 3.574 289 2HG2 THR 35 2HG2 THR 35 1.587 -1.271 3.534 290 3HG2 THR 35 3HG2 THR 35 1.726 -2.365 4.910 291 H PHE 36 H PHE 36 3.658 -1.732 1.879 292 HA PHE 36 HA PHE 36 2.051 0.357 0.560 293 1HB PHE 36 2HB PHE 36 4.082 -0.771 -1.287 294 2HB PHE 36 1HB PHE 36 3.413 0.851 -1.220 295 HD1 PHE 36 1HD PHE 36 4.850 2.571 -0.584 296 HD2 PHE 36 2HD PHE 36 5.579 -1.403 0.850 297 HE1 PHE 36 1HE PHE 36 6.926 3.352 0.524 298 HE2 PHE 36 2HE PHE 36 7.651 -0.630 1.961 299 HZ PHE 36 HZ PHE 36 8.328 1.750 1.793 300 H ILE 37 H ILE 37 1.263 -0.679 -1.681 301 HA ILE 37 HA ILE 37 0.893 -3.613 -1.222 302 HB ILE 37 HB ILE 37 -1.161 -1.673 -2.297 303 1HG1 ILE 37 2HG1 ILE 37 -1.383 -3.150 0.317 304 2HG1 ILE 37 1HG1 ILE 37 -0.477 -1.642 0.253 305 1HG2 ILE 37 1HG2 ILE 37 -1.572 -3.818 -3.236 306 2HG2 ILE 37 2HG2 ILE 37 -2.654 -3.711 -1.847 307 3HG2 ILE 37 3HG2 ILE 37 -1.158 -4.638 -1.730 308 1HD1 ILE 37 1HD1 ILE 37 -3.123 -1.555 -1.074 309 2HD1 ILE 37 2HD1 ILE 37 -2.349 -0.377 -0.013 310 3HD1 ILE 37 3HD1 ILE 37 -3.166 -1.778 0.675 311 H TYR 38 H TYR 38 1.204 -4.920 -2.959 312 HA TYR 38 HA TYR 38 2.096 -3.591 -5.471 313 1HB TYR 38 2HB TYR 38 3.575 -5.312 -4.514 314 2HB TYR 38 1HB TYR 38 2.262 -6.487 -4.580 315 HD1 TYR 38 1HD TYR 38 3.914 -4.003 -6.868 316 HD2 TYR 38 2HD TYR 38 2.256 -7.939 -6.399 317 HE1 TYR 38 1HE TYR 38 4.499 -4.531 -9.220 318 HE2 TYR 38 2HE TYR 38 2.843 -8.466 -8.749 319 HH TYR 38 HH TYR 38 3.239 -7.128 -10.888 320 H ALA 39 H ALA 39 0.169 -3.055 -6.532 321 HA ALA 39 HA ALA 39 -1.352 -5.352 -7.615 322 1HB ALA 39 1HB ALA 39 -2.498 -4.554 -5.481 323 2HB ALA 39 2HB ALA 39 -3.501 -4.543 -6.931 324 3HB ALA 39 3HB ALA 39 -2.813 -3.036 -6.322 325 H LEU 40 H LEU 40 -2.500 -4.785 -9.569 326 HA LEU 40 HA LEU 40 -1.282 -2.516 -10.952 327 1HB LEU 40 2HB LEU 40 -1.864 -3.582 -12.895 328 2HB LEU 40 1HB LEU 40 -1.945 -4.962 -11.809 329 HG LEU 40 HG LEU 40 -4.464 -4.121 -11.505 330 1HD1 LEU 40 1HD1 LEU 40 -3.931 -3.377 -14.379 331 2HD1 LEU 40 2HD1 LEU 40 -3.859 -2.165 -13.105 332 3HD1 LEU 40 3HD1 LEU 40 -5.356 -3.041 -13.402 333 1HD2 LEU 40 1HD2 LEU 40 -3.291 -5.739 -13.775 334 2HD2 LEU 40 2HD2 LEU 40 -5.030 -5.613 -13.506 335 3HD2 LEU 40 3HD2 LEU 40 -3.997 -6.333 -12.272 336 HA PRO 41 HA PRO 41 -4.255 0.624 -10.076 337 1HB PRO 41 2HB PRO 41 -4.347 1.138 -13.010 338 2HB PRO 41 1HB PRO 41 -4.008 2.256 -11.678 339 1HG PRO 41 2HG PRO 41 -2.098 1.257 -13.310 340 2HG PRO 41 1HG PRO 41 -1.799 1.737 -11.633 341 1HD PRO 41 2HD PRO 41 -1.865 -0.970 -12.801 342 2HD PRO 41 1HD PRO 41 -1.158 -0.417 -11.268 343 H GLY 42 H GLY 42 -5.085 -0.909 -13.209 344 1HA GLY 42 2HA GLY 42 -7.837 -0.422 -13.171 345 2HA GLY 42 1HA GLY 42 -7.127 -1.837 -13.940 346 H ARG 43 H ARG 43 -6.233 -3.347 -11.857 347 HA ARG 43 HA ARG 43 -8.620 -4.510 -10.822 348 1HB ARG 43 2HB ARG 43 -6.456 -5.726 -11.126 349 2HB ARG 43 1HB ARG 43 -5.808 -4.840 -9.746 350 1HG ARG 43 2HG ARG 43 -7.337 -5.850 -8.237 351 2HG ARG 43 1HG ARG 43 -8.365 -6.436 -9.545 352 1HD ARG 43 2HD ARG 43 -6.562 -7.955 -10.281 353 2HD ARG 43 1HD ARG 43 -5.539 -7.376 -8.965 354 HE ARG 43 HE ARG 43 -7.850 -8.241 -7.693 355 1HH1 ARG 43 1HH2 ARG 43 -5.561 -9.546 -9.916 356 2HH1 ARG 43 2HH2 ARG 43 -5.737 -11.173 -9.347 357 1HH2 ARG 43 1HH1 ARG 43 -8.093 -10.356 -6.938 358 2HH2 ARG 43 2HH1 ARG 43 -7.170 -11.631 -7.662 359 H VAL 44 H VAL 44 -6.479 -2.035 -9.540 360 HA VAL 44 HA VAL 44 -7.526 -2.209 -6.827 361 HB VAL 44 HB VAL 44 -5.933 -0.050 -8.238 362 1HG1 VAL 44 1HG1 VAL 44 -7.007 1.062 -6.446 363 2HG1 VAL 44 2HG1 VAL 44 -5.445 0.587 -5.778 364 3HG1 VAL 44 3HG1 VAL 44 -6.890 -0.346 -5.390 365 1HG2 VAL 44 1HG2 VAL 44 -4.027 -1.016 -7.197 366 2HG2 VAL 44 2HG2 VAL 44 -4.937 -2.395 -7.814 367 3HG2 VAL 44 3HG2 VAL 44 -5.014 -1.982 -6.101 368 H LYS 45 H LYS 45 -7.857 0.302 -9.373 369 HA LYS 45 HA LYS 45 -9.987 1.671 -8.005 370 1HB LYS 45 2HB LYS 45 -10.295 2.889 -10.086 371 2HB LYS 45 1HB LYS 45 -8.565 2.678 -9.814 372 1HG LYS 45 2HG LYS 45 -8.779 0.548 -11.251 373 2HG LYS 45 1HG LYS 45 -10.349 1.185 -11.740 374 1HD LYS 45 2HD LYS 45 -7.688 2.613 -12.040 375 2HD LYS 45 1HD LYS 45 -8.603 1.856 -13.344 376 1HE LYS 45 2HE LYS 45 -9.355 4.281 -11.705 377 2HE LYS 45 1HE LYS 45 -9.168 4.164 -13.455 378 1HZ LYS 45 1HZ LYS 45 -11.036 2.378 -13.167 379 2HZ LYS 45 2HZ LYS 45 -11.419 4.031 -13.266 380 3HZ LYS 45 3HZ LYS 45 -11.374 3.255 -11.755 381 H ALA 46 H ALA 46 -9.865 -1.183 -9.920 382 HA ALA 46 HA ALA 46 -12.614 -1.176 -10.830 383 1HB ALA 46 1HB ALA 46 -11.084 -2.577 -12.018 384 2HB ALA 46 2HB ALA 46 -12.137 -3.677 -11.129 385 3HB ALA 46 3HB ALA 46 -10.516 -3.334 -10.530 386 H LEU 47 H LEU 47 -10.929 -2.806 -8.126 387 HA LEU 47 HA LEU 47 -13.128 -4.175 -7.047 388 1HB LEU 47 2HB LEU 47 -10.490 -3.767 -6.317 389 2HB LEU 47 1HB LEU 47 -11.365 -2.959 -5.018 390 HG LEU 47 HG LEU 47 -12.824 -5.133 -5.000 391 1HD1 LEU 47 1HD1 LEU 47 -11.794 -7.114 -5.815 392 2HD1 LEU 47 2HD1 LEU 47 -10.254 -6.296 -6.081 393 3HD1 LEU 47 3HD1 LEU 47 -11.631 -5.947 -7.126 394 1HD2 LEU 47 1HD2 LEU 47 -11.262 -6.162 -3.393 395 2HD2 LEU 47 2HD2 LEU 47 -11.315 -4.413 -3.174 396 3HD2 LEU 47 3HD2 LEU 47 -9.954 -5.154 -4.015 397 H CYS 48 H CYS 48 -12.896 -0.873 -7.507 398 HA CYS 48 HA CYS 48 -14.947 -0.371 -5.380 399 1HB CYS 48 2HB CYS 48 -12.544 1.237 -6.186 400 2HB CYS 48 1HB CYS 48 -13.977 2.080 -5.604 401 H LYS 49 H LYS 49 -15.145 -1.118 -8.288 402 HA LYS 49 HA LYS 49 -16.073 1.314 -9.619 403 1HB LYS 49 2HB LYS 49 -16.503 -0.083 -11.501 404 2HB LYS 49 1HB LYS 49 -15.036 -0.727 -10.762 405 1HG LYS 49 2HG LYS 49 -16.664 -2.275 -9.435 406 2HG LYS 49 1HG LYS 49 -17.832 -1.848 -10.687 407 1HD LYS 49 2HD LYS 49 -16.031 -2.519 -12.383 408 2HD LYS 49 1HD LYS 49 -15.173 -3.246 -11.024 409 1HE LYS 49 2HE LYS 49 -17.832 -4.014 -12.204 410 2HE LYS 49 1HE LYS 49 -16.448 -5.042 -11.831 411 1HZ LYS 49 1HZ LYS 49 -16.887 -4.374 -9.430 412 2HZ LYS 49 2HZ LYS 49 -17.965 -5.477 -10.143 413 3HZ LYS 49 3HZ LYS 49 -18.405 -3.845 -9.970 414 H ASN 50 H ASN 50 -18.033 2.191 -9.227 415 HA ASN 50 HA ASN 50 -20.235 2.391 -8.421 416 1HB ASN 50 2HB ASN 50 -20.276 -0.130 -10.088 417 2HB ASN 50 1HB ASN 50 -21.741 0.525 -9.356 418 1HD2 ASN 50 1HD2 ASN 50 -19.691 0.756 -12.088 419 2HD2 ASN 50 2HD2 ASN 50 -20.313 2.202 -12.724 420 H ILE 51 H ILE 51 -19.094 1.851 -6.221 421 HA ILE 51 HA ILE 51 -20.001 -0.762 -5.138 422 HB ILE 51 HB ILE 51 -18.684 0.291 -3.078 423 1HG1 ILE 51 2HG1 ILE 51 -17.367 1.663 -5.433 424 2HG1 ILE 51 1HG1 ILE 51 -18.470 2.491 -4.332 425 1HG2 ILE 51 1HG2 ILE 51 -17.254 -0.702 -5.550 426 2HG2 ILE 51 2HG2 ILE 51 -18.060 -1.739 -4.373 427 3HG2 ILE 51 3HG2 ILE 51 -16.661 -0.780 -3.891 428 1HD1 ILE 51 1HD1 ILE 51 -15.969 2.676 -3.789 429 2HD1 ILE 51 2HD1 ILE 51 -16.053 0.974 -3.334 430 3HD1 ILE 51 3HD1 ILE 51 -17.023 2.167 -2.471 431 H ARG 52 H ARG 52 -19.627 1.785 -2.910 432 HA ARG 52 HA ARG 52 -22.535 2.391 -2.863 433 1HB ARG 52 2HB ARG 52 -22.046 0.410 -1.354 434 2HB ARG 52 1HB ARG 52 -21.055 1.498 -0.381 435 1HG ARG 52 2HG ARG 52 -23.089 3.018 -0.219 436 2HG ARG 52 1HG ARG 52 -24.025 1.700 -0.925 437 1HD ARG 52 2HD ARG 52 -23.349 0.214 0.915 438 2HD ARG 52 1HD ARG 52 -22.379 1.509 1.615 439 HE ARG 52 HE ARG 52 -24.368 2.470 2.454 440 1HH1 ARG 52 1HH2 ARG 52 -24.976 0.131 -0.004 441 2HH1 ARG 52 2HH2 ARG 52 -26.693 0.146 0.220 442 1HH2 ARG 52 1HH1 ARG 52 -26.607 2.504 2.761 443 2HH2 ARG 52 2HH1 ARG 52 -27.616 1.489 1.785 444 H ASP 53 H ASP 53 -20.012 2.933 -0.432 445 HA ASP 53 HA ASP 53 -19.489 5.669 -1.216 446 1HB ASP 53 2HB ASP 53 -20.666 6.816 0.574 447 2HB ASP 53 1HB ASP 53 -21.832 5.878 -0.361 448 H ASN 54 H ASN 54 -19.110 6.614 1.469 449 HA ASN 54 HA ASN 54 -16.477 5.612 1.965 450 1HB ASN 54 2HB ASN 54 -18.297 7.138 3.850 451 2HB ASN 54 1HB ASN 54 -16.547 6.980 3.999 452 1HD2 ASN 54 1HD2 ASN 54 -19.108 8.359 1.914 453 2HD2 ASN 54 2HD2 ASN 54 -18.106 9.511 1.173 454 H THR 55 H THR 55 -16.222 3.491 2.543 455 HA THR 55 HA THR 55 -17.323 2.625 5.118 456 HB THR 55 HB THR 55 -17.923 0.806 2.799 457 HG1 THR 55 1HG THR 55 -19.346 3.085 3.640 458 1HG2 THR 55 1HG2 THR 55 -18.122 -0.061 5.084 459 2HG2 THR 55 2HG2 THR 55 -19.717 0.067 4.343 460 3HG2 THR 55 3HG2 THR 55 -19.189 1.276 5.513 461 H ASP 56 H ASP 56 -16.464 0.368 5.641 462 HA ASP 56 HA ASP 56 -13.670 0.196 4.664 463 1HB ASP 56 2HB ASP 56 -13.390 -1.397 6.565 464 2HB ASP 56 1HB ASP 56 -13.986 0.180 7.082 465 H VAL 57 H VAL 57 -12.787 -1.830 3.917 466 HA VAL 57 HA VAL 57 -14.746 -3.956 3.223 467 HB VAL 57 HB VAL 57 -13.615 -4.012 0.897 468 1HG1 VAL 57 1HG1 VAL 57 -15.404 -1.679 1.653 469 2HG1 VAL 57 2HG1 VAL 57 -15.953 -3.313 1.284 470 3HG1 VAL 57 3HG1 VAL 57 -15.202 -2.331 0.027 471 1HG2 VAL 57 1HG2 VAL 57 -12.525 -2.057 0.134 472 2HG2 VAL 57 2HG2 VAL 57 -11.858 -2.302 1.747 473 3HG2 VAL 57 3HG2 VAL 57 -13.116 -1.093 1.488 474 H LEU 58 H LEU 58 -13.482 -5.895 2.270 475 HA LEU 58 HA LEU 58 -10.745 -6.081 3.468 476 1HB LEU 58 2HB LEU 58 -13.057 -7.291 4.507 477 2HB LEU 58 1HB LEU 58 -12.277 -8.582 3.604 478 HG LEU 58 HG LEU 58 -11.548 -8.501 5.976 479 1HD1 LEU 58 1HD1 LEU 58 -9.992 -9.484 4.472 480 2HD1 LEU 58 2HD1 LEU 58 -9.051 -8.372 5.464 481 3HD1 LEU 58 3HD1 LEU 58 -9.507 -7.918 3.827 482 1HD2 LEU 58 1HD2 LEU 58 -11.541 -5.747 5.610 483 2HD2 LEU 58 2HD2 LEU 58 -9.825 -6.152 5.643 484 3HD2 LEU 58 3HD2 LEU 58 -10.863 -6.603 6.992 485 H SER 59 H SER 59 -9.272 -7.254 2.176 486 HA SER 59 HA SER 59 -9.845 -7.631 -0.564 487 1HB SER 59 2HB SER 59 -7.582 -7.726 -0.360 488 2HB SER 59 1HB SER 59 -7.663 -8.396 1.261 489 HG SER 59 HG SER 59 -8.382 -9.910 -1.013 490 H ARG 60 H ARG 60 -10.119 -9.651 -1.781 491 HA ARG 60 HA ARG 60 -12.096 -11.366 -0.500 492 1HB ARG 60 2HB ARG 60 -10.830 -11.406 -3.250 493 2HB ARG 60 1HB ARG 60 -12.103 -12.514 -2.744 494 1HG ARG 60 2HG ARG 60 -12.533 -9.568 -2.357 495 2HG ARG 60 1HG ARG 60 -12.704 -10.239 -3.978 496 1HD ARG 60 2HD ARG 60 -14.323 -11.904 -3.104 497 2HD ARG 60 1HD ARG 60 -14.183 -11.180 -1.502 498 HE ARG 60 HE ARG 60 -14.900 -9.024 -3.000 499 1HH1 ARG 60 1HH2 ARG 60 -16.044 -12.274 -2.832 500 2HH1 ARG 60 2HH2 ARG 60 -17.668 -11.864 -3.271 501 1HH2 ARG 60 1HH1 ARG 60 -17.015 -8.472 -3.573 502 2HH2 ARG 60 2HH1 ARG 60 -18.218 -9.713 -3.690 503 H ASP 61 H ASP 61 -8.735 -11.453 -0.490 504 HA ASP 61 HA ASP 61 -8.726 -14.123 0.635 505 1HB ASP 61 2HB ASP 61 -7.098 -15.001 -1.172 506 2HB ASP 61 1HB ASP 61 -8.816 -14.967 -1.573 507 H ALA 62 H ALA 62 -6.114 -12.760 -1.335 508 HA ALA 62 HA ALA 62 -4.798 -11.718 1.099 509 1HB ALA 62 1HB ALA 62 -2.753 -13.026 0.698 510 2HB ALA 62 2HB ALA 62 -3.535 -13.844 -0.655 511 3HB ALA 62 3HB ALA 62 -4.126 -14.095 0.989 512 H PHE 63 H PHE 63 -2.665 -10.641 0.476 513 HA PHE 63 HA PHE 63 -2.477 -9.819 -2.354 514 1HB PHE 63 2HB PHE 63 -3.424 -8.049 -0.132 515 2HB PHE 63 1HB PHE 63 -2.342 -7.346 -1.334 516 HD1 PHE 63 1HD PHE 63 -5.604 -9.042 -0.836 517 HD2 PHE 63 2HD PHE 63 -3.062 -6.941 -3.588 518 HE1 PHE 63 1HE PHE 63 -7.498 -8.831 -2.425 519 HE2 PHE 63 2HE PHE 63 -4.957 -6.729 -5.176 520 HZ PHE 63 HZ PHE 63 -7.174 -7.675 -4.594 521 H LEU 64 H LEU 64 -0.356 -9.590 -2.870 522 HA LEU 64 HA LEU 64 1.661 -9.912 -0.776 523 1HB LEU 64 2HB LEU 64 1.719 -10.909 -3.149 524 2HB LEU 64 1HB LEU 64 2.168 -9.297 -3.693 525 HG LEU 64 HG LEU 64 3.686 -10.637 -1.452 526 1HD1 LEU 64 1HD1 LEU 64 5.324 -11.303 -3.313 527 2HD1 LEU 64 2HD1 LEU 64 3.983 -11.053 -4.430 528 3HD1 LEU 64 3HD1 LEU 64 3.860 -12.275 -3.164 529 1HD2 LEU 64 1HD2 LEU 64 4.172 -8.394 -3.420 530 2HD2 LEU 64 2HD2 LEU 64 5.523 -9.206 -2.632 531 3HD2 LEU 64 3HD2 LEU 64 4.313 -8.371 -1.662 532 H LEU 65 H LEU 65 2.242 -8.122 0.405 533 HA LEU 65 HA LEU 65 2.514 -5.555 -1.100 534 1HB LEU 65 2HB LEU 65 2.324 -4.952 1.657 535 2HB LEU 65 1HB LEU 65 1.153 -4.594 0.404 536 HG LEU 65 HG LEU 65 1.203 -7.313 1.673 537 1HD1 LEU 65 1HD1 LEU 65 -0.538 -6.366 3.248 538 2HD1 LEU 65 2HD1 LEU 65 -0.059 -4.758 2.707 539 3HD1 LEU 65 3HD1 LEU 65 1.102 -5.787 3.546 540 1HD2 LEU 65 1HD2 LEU 65 -0.165 -6.932 -0.359 541 2HD2 LEU 65 2HD2 LEU 65 -0.946 -5.560 0.421 542 3HD2 LEU 65 3HD2 LEU 65 -1.202 -7.189 1.042 543 HA PRO 66 HA PRO 66 6.762 -5.829 0.305 544 1HB PRO 66 2HB PRO 66 7.561 -3.355 -0.551 545 2HB PRO 66 1HB PRO 66 7.372 -4.742 -1.639 546 1HG PRO 66 2HG PRO 66 5.594 -2.413 -1.223 547 2HG PRO 66 1HG PRO 66 5.908 -3.349 -2.690 548 1HD PRO 66 2HD PRO 66 3.642 -3.609 -1.117 549 2HD PRO 66 1HD PRO 66 4.245 -4.845 -2.243 550 H GLN 67 H GLN 67 7.946 -4.952 2.145 551 HA GLN 67 HA GLN 67 6.716 -2.622 3.509 552 1HB GLN 67 2HB GLN 67 7.171 -5.254 4.939 553 2HB GLN 67 1HB GLN 67 6.465 -3.788 5.618 554 1HG GLN 67 2HG GLN 67 4.640 -3.964 3.882 555 2HG GLN 67 1HG GLN 67 5.292 -5.544 3.446 556 1HE2 GLN 67 1HE2 GLN 67 3.614 -3.750 6.002 557 2HE2 GLN 67 2HE2 GLN 67 3.185 -5.113 6.919 558 H CYS 68 H CYS 68 8.244 -1.345 4.444 559 HA CYS 68 HA CYS 68 11.048 -2.357 4.456 560 1HB CYS 68 2HB CYS 68 10.155 0.453 5.098 561 2HB CYS 68 1HB CYS 68 11.728 -0.088 4.514 562 H ASP 69 H ASP 69 12.192 -2.633 6.352 563 HA ASP 69 HA ASP 69 10.877 -1.783 8.902 564 1HB ASP 69 2HB ASP 69 11.836 -4.527 8.107 565 2HB ASP 69 1HB ASP 69 11.778 -4.049 9.804 566 H ARG 70 H ARG 70 12.302 -0.484 9.937 567 HA ARG 70 HA ARG 70 15.091 -0.316 9.269 568 1HB ARG 70 2HB ARG 70 13.596 1.449 10.423 569 2HB ARG 70 1HB ARG 70 13.916 0.559 11.911 570 1HG ARG 70 2HG ARG 70 16.414 0.759 11.261 571 2HG ARG 70 1HG ARG 70 15.879 2.001 10.129 572 1HD ARG 70 2HD ARG 70 14.884 3.286 11.952 573 2HD ARG 70 1HD ARG 70 15.297 2.018 13.106 574 HE ARG 70 HE ARG 70 17.595 3.103 11.643 575 1HH1 ARG 70 1HH2 ARG 70 15.496 3.285 14.376 576 2HH1 ARG 70 2HH2 ARG 70 16.647 4.113 15.370 577 1HH2 ARG 70 1HH1 ARG 70 19.107 4.182 12.929 578 2HH2 ARG 70 2HH1 ARG 70 18.691 4.621 14.552 579 H ILE 71 H ILE 71 16.917 -0.986 10.578 580 HA ILE 71 HA ILE 71 16.474 -2.776 12.847 581 HB ILE 71 HB ILE 71 16.038 -4.251 10.872 582 1HG1 ILE 71 2HG1 ILE 71 18.632 -4.893 12.312 583 2HG1 ILE 71 1HG1 ILE 71 17.029 -5.099 13.020 584 1HG2 ILE 71 1HG2 ILE 71 18.973 -3.887 10.243 585 2HG2 ILE 71 2HG2 ILE 71 17.719 -2.955 9.426 586 3HG2 ILE 71 3HG2 ILE 71 17.747 -4.712 9.280 587 1HD1 ILE 71 1HD1 ILE 71 17.756 -7.231 12.095 588 2HD1 ILE 71 2HD1 ILE 71 18.096 -6.476 10.538 589 3HD1 ILE 71 3HD1 ILE 71 16.432 -6.605 11.112 590 H LYS 72 H LYS 72 18.693 -1.385 10.463 591 HA LYS 72 HA LYS 72 20.692 -1.066 12.641 592 1HB LYS 72 2HB LYS 72 22.503 -1.936 11.261 593 2HB LYS 72 1HB LYS 72 21.253 -3.170 11.416 594 1HG LYS 72 2HG LYS 72 20.293 -2.245 9.219 595 2HG LYS 72 1HG LYS 72 21.826 -1.389 9.045 596 1HD LYS 72 2HD LYS 72 22.958 -3.661 9.419 597 2HD LYS 72 1HD LYS 72 21.364 -4.372 9.159 598 1HE LYS 72 2HE LYS 72 22.470 -4.364 7.026 599 2HE LYS 72 1HE LYS 72 21.262 -3.080 6.977 600 1HZ LYS 72 1HZ LYS 72 23.444 -1.843 7.994 601 2HZ LYS 72 2HZ LYS 72 22.949 -1.782 6.371 602 3HZ LYS 72 3HZ LYS 72 24.126 -2.904 6.860 603 H LEU 73 H LEU 73 22.597 0.313 11.723 604 HA LEU 73 HA LEU 73 23.225 2.422 10.938 605 1HB LEU 73 2HB LEU 73 22.034 0.910 8.744 606 2HB LEU 73 1HB LEU 73 21.815 2.637 8.502 607 HG LEU 73 HG LEU 73 24.323 2.853 9.068 608 1HD1 LEU 73 1HD1 LEU 73 24.255 -0.093 8.364 609 2HD1 LEU 73 2HD1 LEU 73 24.460 0.521 10.005 610 3HD1 LEU 73 3HD1 LEU 73 25.676 0.868 8.775 611 1HD2 LEU 73 1HD2 LEU 73 23.489 3.150 6.797 612 2HD2 LEU 73 2HD2 LEU 73 23.397 1.403 6.569 613 3HD2 LEU 73 3HD2 LEU 73 24.967 2.190 6.739 614 HA PRO 74 HA PRO 74 19.882 5.255 11.696 615 1HB PRO 74 2HB PRO 74 20.676 7.532 10.499 616 2HB PRO 74 1HB PRO 74 21.605 6.813 11.829 617 1HG PRO 74 2HG PRO 74 22.159 6.794 8.913 618 2HG PRO 74 1HG PRO 74 23.286 6.863 10.278 619 1HD PRO 74 2HD PRO 74 22.619 4.552 8.801 620 2HD PRO 74 1HD PRO 74 23.463 4.583 10.363 621 H CYS 75 H CYS 75 20.663 4.928 8.260 622 HA CYS 75 HA CYS 75 17.782 5.436 7.636 623 1HB CYS 75 2HB CYS 75 19.433 7.353 7.044 624 2HB CYS 75 1HB CYS 75 19.995 6.274 5.768 625 H HIS 76 H HIS 76 18.198 2.929 7.923 626 HA HIS 76 HA HIS 76 18.519 1.843 5.172 627 1HB HIS 76 2HB HIS 76 20.668 1.566 6.560 628 2HB HIS 76 1HB HIS 76 19.742 0.450 7.564 629 HD1 HIS 76 1HD HIS 76 19.411 -1.896 6.686 630 HD2 HIS 76 2HD HIS 76 20.853 0.696 3.752 631 HE1 HIS 76 1HE HIS 76 19.962 -3.329 4.669 632 HE2 HIS 76 2HE HIS 76 20.840 -1.762 2.879 633 H TYR 77 H TYR 77 17.175 0.020 4.801 634 HA TYR 77 HA TYR 77 15.504 -0.886 7.103 635 1HB TYR 77 2HB TYR 77 14.236 -0.411 4.422 636 2HB TYR 77 1HB TYR 77 13.483 -0.467 6.016 637 HD1 TYR 77 1HD TYR 77 14.126 1.390 7.700 638 HD2 TYR 77 2HD TYR 77 14.855 1.651 3.474 639 HE1 TYR 77 1HE TYR 77 14.336 3.853 7.888 640 HE2 TYR 77 2HE TYR 77 15.065 4.115 3.663 641 HH TYR 77 HH TYR 77 14.306 5.797 6.645 642 H LYS 78 H LYS 78 14.317 -2.913 6.591 643 HA LYS 78 HA LYS 78 15.937 -4.636 4.762 644 1HB LYS 78 2HB LYS 78 15.791 -5.213 7.241 645 2HB LYS 78 1HB LYS 78 14.077 -5.536 6.979 646 1HG LYS 78 2HG LYS 78 14.962 -7.661 6.648 647 2HG LYS 78 1HG LYS 78 14.982 -7.044 4.997 648 1HD LYS 78 2HD LYS 78 17.339 -6.387 5.252 649 2HD LYS 78 1HD LYS 78 17.326 -6.950 6.923 650 1HE LYS 78 2HE LYS 78 17.066 -9.218 6.272 651 2HE LYS 78 1HE LYS 78 16.609 -8.776 4.627 652 1HZ LYS 78 1HZ LYS 78 19.273 -8.649 5.896 653 2HZ LYS 78 2HZ LYS 78 18.913 -7.731 4.512 654 3HZ LYS 78 3HZ LYS 78 18.821 -9.427 4.458 655 H LEU 79 H LEU 79 14.847 -5.907 3.224 656 HA LEU 79 HA LEU 79 12.162 -4.934 2.506 657 1HB LEU 79 2HB LEU 79 14.250 -5.514 0.949 658 2HB LEU 79 1HB LEU 79 13.533 -7.124 0.988 659 HG LEU 79 HG LEU 79 12.058 -4.586 0.219 660 1HD1 LEU 79 1HD1 LEU 79 12.810 -6.873 -1.603 661 2HD1 LEU 79 2HD1 LEU 79 13.886 -5.496 -1.364 662 3HD1 LEU 79 3HD1 LEU 79 12.277 -5.250 -2.041 663 1HD2 LEU 79 1HD2 LEU 79 10.467 -6.118 1.091 664 2HD2 LEU 79 2HD2 LEU 79 11.294 -7.508 0.386 665 3HD2 LEU 79 3HD2 LEU 79 10.415 -6.383 -0.651 666 H SER 80 H SER 80 10.384 -5.936 3.269 667 HA SER 80 HA SER 80 10.398 -8.901 3.542 668 1HB SER 80 2HB SER 80 10.810 -8.256 5.800 669 2HB SER 80 1HB SER 80 9.696 -6.895 5.695 670 HG SER 80 HG SER 80 9.130 -9.667 5.765 671 H SER 81 H SER 81 8.584 -9.716 2.590 672 HA SER 81 HA SER 81 6.141 -8.004 2.480 673 1HB SER 81 2HB SER 81 6.928 -9.604 0.064 674 2HB SER 81 1HB SER 81 5.916 -8.166 0.167 675 HG SER 81 HG SER 81 8.574 -7.950 0.982 676 H SER 82 H SER 82 4.181 -9.290 1.976 677 HA SER 82 HA SER 82 4.345 -12.202 2.065 678 1HB SER 82 2HB SER 82 4.681 -11.432 4.485 679 2HB SER 82 1HB SER 82 3.024 -10.838 4.422 680 HG SER 82 HG SER 82 3.200 -13.000 5.220 681 H THR 83 H THR 83 2.135 -13.164 2.009 682 HA THR 83 HA THR 83 0.276 -11.309 0.628 683 HB THR 83 HB THR 83 -0.629 -13.842 0.145 684 HG1 THR 83 1HG THR 83 2.167 -13.911 0.522 685 1HG2 THR 83 1HG2 THR 83 -0.167 -12.105 -1.534 686 2HG2 THR 83 2HG2 THR 83 0.560 -13.639 -2.013 687 3HG2 THR 83 3HG2 THR 83 1.565 -12.364 -1.323 688 H ASN 84 H ASN 84 -1.454 -10.672 1.803 689 HA ASN 84 HA ASN 84 -2.964 -12.605 3.401 690 1HB ASN 84 2HB ASN 84 -1.272 -12.005 5.046 691 2HB ASN 84 1HB ASN 84 -1.528 -10.289 4.734 692 1HD2 ASN 84 1HD2 ASN 84 -2.203 -9.928 6.984 693 2HD2 ASN 84 2HD2 ASN 84 -3.722 -10.452 7.532 694 H THR 85 H THR 85 -5.071 -11.718 4.014 695 HA THR 85 HA THR 85 -6.094 -9.817 2.134 696 HB THR 85 HB THR 85 -7.733 -10.033 4.534 697 HG1 THR 85 1HG THR 85 -6.597 -11.890 4.962 698 1HG2 THR 85 1HG2 THR 85 -7.931 -10.924 1.657 699 2HG2 THR 85 2HG2 THR 85 -8.845 -9.665 2.483 700 3HG2 THR 85 3HG2 THR 85 -9.167 -11.358 2.833 701 H ILE 86 H ILE 86 -6.963 -7.651 2.675 702 HA ILE 86 HA ILE 86 -5.741 -6.418 5.098 703 HB ILE 86 HB ILE 86 -4.440 -4.936 3.931 704 1HG1 ILE 86 2HG1 ILE 86 -6.623 -4.980 1.822 705 2HG1 ILE 86 1HG1 ILE 86 -6.223 -3.668 2.931 706 1HG2 ILE 86 1HG2 ILE 86 -4.916 -6.895 1.667 707 2HG2 ILE 86 2HG2 ILE 86 -3.877 -7.224 3.053 708 3HG2 ILE 86 3HG2 ILE 86 -3.471 -5.922 1.941 709 1HD1 ILE 86 1HD1 ILE 86 -5.236 -3.000 0.895 710 2HD1 ILE 86 2HD1 ILE 86 -4.677 -4.633 0.530 711 3HD1 ILE 86 3HD1 ILE 86 -3.893 -3.695 1.804 712 H CYS 87 H CYS 87 -6.757 -4.327 5.641 713 HA CYS 87 HA CYS 87 -9.557 -4.176 4.604 714 1HB CYS 87 2HB CYS 87 -8.950 -4.618 7.144 715 2HB CYS 87 1HB CYS 87 -8.691 -2.879 7.167 716 H ILE 88 H ILE 88 -10.155 -2.301 3.596 717 HA ILE 88 HA ILE 88 -8.500 0.133 3.995 718 HB ILE 88 HB ILE 88 -7.371 -0.320 2.070 719 1HG1 ILE 88 2HG1 ILE 88 -10.038 0.127 0.694 720 2HG1 ILE 88 1HG1 ILE 88 -9.052 1.428 1.362 721 1HG2 ILE 88 1HG2 ILE 88 -8.083 -2.658 2.068 722 2HG2 ILE 88 2HG2 ILE 88 -8.114 -2.026 0.425 723 3HG2 ILE 88 3HG2 ILE 88 -9.616 -2.215 1.325 724 1HD1 ILE 88 1HD1 ILE 88 -7.277 -0.106 -0.199 725 2HD1 ILE 88 2HD1 ILE 88 -7.936 1.479 -0.593 726 3HD1 ILE 88 3HD1 ILE 88 -8.752 0.021 -1.154 727 H THR 89 H THR 89 -9.642 2.091 3.315 728 HA THR 89 HA THR 89 -12.596 1.640 3.239 729 HB THR 89 HB THR 89 -10.842 3.695 4.475 730 HG1 THR 89 1HG THR 89 -13.265 3.433 5.523 731 1HG2 THR 89 1HG2 THR 89 -12.859 5.269 4.539 732 2HG2 THR 89 2HG2 THR 89 -13.509 4.327 3.198 733 3HG2 THR 89 3HG2 THR 89 -11.984 5.195 3.009 734 H CYS 90 H CYS 90 -13.684 2.154 1.454 735 HA CYS 90 HA CYS 90 -12.317 3.787 -0.651 736 1HB CYS 90 2HB CYS 90 -13.104 1.231 -0.937 737 2HB CYS 90 1HB CYS 90 -14.634 2.019 -1.316 738 H VAL 91 H VAL 91 -14.084 4.867 -2.126 739 HA VAL 91 HA VAL 91 -16.269 5.943 -0.383 740 HB VAL 91 HB VAL 91 -14.303 7.508 -0.836 741 1HG1 VAL 91 1HG1 VAL 91 -13.756 8.175 -2.953 742 2HG1 VAL 91 2HG1 VAL 91 -15.419 8.098 -3.528 743 3HG1 VAL 91 3HG1 VAL 91 -14.462 6.622 -3.398 744 1HG2 VAL 91 1HG2 VAL 91 -17.196 8.021 -1.217 745 2HG2 VAL 91 2HG2 VAL 91 -16.138 9.283 -1.851 746 3HG2 VAL 91 3HG2 VAL 91 -16.039 8.820 -0.154 747 H ASN 92 H ASN 92 -16.989 7.573 -2.915 748 HA ASN 92 HA ASN 92 -19.075 5.976 -3.867 749 1HB ASN 92 2HB ASN 92 -18.615 8.468 -4.320 750 2HB ASN 92 1HB ASN 92 -17.603 7.906 -5.651 751 1HD2 ASN 92 1HD2 ASN 92 -20.770 6.669 -4.441 752 2HD2 ASN 92 2HD2 ASN 92 -21.567 6.829 -5.931 753 H GLN 93 H GLN 93 -15.811 6.254 -5.045 754 HA GLN 93 HA GLN 93 -15.610 3.573 -5.937 755 1HB GLN 93 2HB GLN 93 -15.578 4.055 -8.446 756 2HB GLN 93 1HB GLN 93 -17.171 4.040 -7.692 757 1HG GLN 93 2HG GLN 93 -17.034 6.531 -7.466 758 2HG GLN 93 1HG GLN 93 -15.513 6.488 -8.357 759 1HE2 GLN 93 1HE2 GLN 93 -16.914 4.052 -9.861 760 2HE2 GLN 93 2HE2 GLN 93 -17.824 4.850 -11.052 761 H LEU 94 H LEU 94 -13.899 5.117 -4.522 762 HA LEU 94 HA LEU 94 -11.514 5.196 -6.255 763 1HB LEU 94 2HB LEU 94 -12.722 7.652 -4.980 764 2HB LEU 94 1HB LEU 94 -10.987 7.546 -5.259 765 HG LEU 94 HG LEU 94 -12.019 6.746 -7.707 766 1HD1 LEU 94 1HD1 LEU 94 -13.837 8.115 -8.312 767 2HD1 LEU 94 2HD1 LEU 94 -13.625 9.173 -6.917 768 3HD1 LEU 94 3HD1 LEU 94 -14.281 7.553 -6.701 769 1HD2 LEU 94 1HD2 LEU 94 -11.443 9.145 -8.380 770 2HD2 LEU 94 2HD2 LEU 94 -10.170 8.250 -7.550 771 3HD2 LEU 94 3HD2 LEU 94 -11.125 9.444 -6.672 772 HA PRO 95 HA PRO 95 -10.546 3.499 -2.081 773 1HB PRO 95 2HB PRO 95 -8.001 2.859 -3.487 774 2HB PRO 95 1HB PRO 95 -9.069 1.795 -2.556 775 1HG PRO 95 2HG PRO 95 -8.921 1.679 -5.227 776 2HG PRO 95 1HG PRO 95 -10.423 1.356 -4.345 777 1HD PRO 95 2HD PRO 95 -9.652 3.773 -5.927 778 2HD PRO 95 1HD PRO 95 -11.254 3.043 -5.684 779 H ILE 96 H ILE 96 -9.664 4.864 -0.486 780 HA ILE 96 HA ILE 96 -7.281 6.478 -1.255 781 HB ILE 96 HB ILE 96 -8.310 8.493 -0.202 782 1HG1 ILE 96 2HG1 ILE 96 -10.984 8.217 -0.275 783 2HG1 ILE 96 1HG1 ILE 96 -10.576 6.549 0.111 784 1HG2 ILE 96 1HG2 ILE 96 -8.504 7.662 -2.753 785 2HG2 ILE 96 2HG2 ILE 96 -9.236 9.163 -2.198 786 3HG2 ILE 96 3HG2 ILE 96 -10.218 7.711 -2.357 787 1HD1 ILE 96 1HD1 ILE 96 -10.973 8.140 2.090 788 2HD1 ILE 96 2HD1 ILE 96 -9.423 8.866 1.674 789 3HD1 ILE 96 3HD1 ILE 96 -9.507 7.168 2.139 790 H HIS 97 H HIS 97 -8.782 4.537 1.171 791 HA HIS 97 HA HIS 97 -6.770 5.648 3.102 792 1HB HIS 97 2HB HIS 97 -9.669 5.242 3.411 793 2HB HIS 97 1HB HIS 97 -8.716 4.558 4.727 794 HD1 HIS 97 1HD HIS 97 -6.456 6.602 4.944 795 HD2 HIS 97 2HD HIS 97 -10.456 7.688 4.464 796 HE1 HIS 97 1HE HIS 97 -6.666 8.975 5.812 797 HE2 HIS 97 2HE HIS 97 -9.095 9.644 5.525 798 H PHE 98 H PHE 98 -5.300 4.205 3.690 799 HA PHE 98 HA PHE 98 -5.827 1.312 3.252 800 1HB PHE 98 2HB PHE 98 -3.747 1.993 2.293 801 2HB PHE 98 1HB PHE 98 -3.316 2.940 3.715 802 HD1 PHE 98 1HD PHE 98 -4.047 -0.565 2.622 803 HD2 PHE 98 2HD PHE 98 -2.019 1.980 5.425 804 HE1 PHE 98 1HE PHE 98 -2.904 -2.541 3.590 805 HE2 PHE 98 2HE PHE 98 -0.877 0.004 6.393 806 HZ PHE 98 HZ PHE 98 -1.318 -2.257 5.475 807 H ALA 99 H ALA 99 -6.809 0.431 5.023 808 HA ALA 99 HA ALA 99 -6.599 1.471 7.681 809 1HB ALA 99 1HB ALA 99 -8.030 -0.248 8.273 810 2HB ALA 99 2HB ALA 99 -7.213 -1.417 7.240 811 3HB ALA 99 3HB ALA 99 -8.304 -0.226 6.531 812 H GLY 100 H GLY 100 -5.436 -1.757 6.638 813 1HA GLY 100 2HA GLY 100 -2.750 -1.339 7.582 814 2HA GLY 100 1HA GLY 100 -3.702 -2.181 8.806 815 H VAL 101 H VAL 101 -3.236 -4.329 8.687 816 HA VAL 101 HA VAL 101 -3.339 -5.626 5.996 817 HB VAL 101 HB VAL 101 -0.986 -5.433 6.508 818 1HG1 VAL 101 1HG1 VAL 101 -1.677 -6.680 9.186 819 2HG1 VAL 101 2HG1 VAL 101 -1.243 -4.990 8.929 820 3HG1 VAL 101 3HG1 VAL 101 -0.056 -6.259 8.631 821 1HG2 VAL 101 1HG2 VAL 101 -0.354 -7.732 6.442 822 2HG2 VAL 101 2HG2 VAL 101 -1.961 -7.676 5.714 823 3HG2 VAL 101 3HG2 VAL 101 -1.765 -8.223 7.380 824 H GLY 102 H GLY 102 -4.269 -7.685 6.002 825 1HA GLY 102 2HA GLY 102 -5.266 -9.635 6.921 826 2HA GLY 102 1HA GLY 102 -4.878 -9.042 8.533 827 H SER 103 H SER 103 -7.193 -9.826 8.874 828 HA SER 103 HA SER 103 -9.332 -8.204 7.727 829 1HB SER 103 2HB SER 103 -9.486 -10.051 10.118 830 2HB SER 103 1HB SER 103 -10.815 -9.521 9.091 831 HG SER 103 HG SER 103 -9.517 -11.679 8.774 832 H CYS 104 H CYS 104 -10.211 -6.374 8.587 833 HA CYS 104 HA CYS 104 -8.904 -5.164 10.910 834 1HB CYS 104 2HB CYS 104 -10.728 -3.357 10.427 835 2HB CYS 104 1HB CYS 104 -9.435 -3.583 9.251 836 HA PRO 105 HA PRO 105 -11.838 -6.553 13.924 837 1HB PRO 105 2HB PRO 105 -11.791 -4.463 15.700 838 2HB PRO 105 1HB PRO 105 -10.473 -5.641 15.547 839 1HG PRO 105 2HG PRO 105 -10.685 -2.885 14.428 840 2HG PRO 105 1HG PRO 105 -9.290 -3.706 15.151 841 1HD PRO 105 2HD PRO 105 -9.605 -3.448 12.449 842 2HD PRO 105 1HD PRO 105 -8.761 -4.826 13.190 Start of MODEL 10 1 HN PCA 1 H PCA 1 -6.859 9.080 1.219 2 HA PCA 1 HA PCA 1 -8.333 11.142 1.938 3 1HB PCA 1 1HB PCA 1 -6.986 12.546 3.118 4 2HB PCA 1 2HB PCA 1 -6.334 13.057 1.580 5 1HG PCA 1 1HG PCA 1 -5.017 11.758 3.500 6 2HG PCA 1 2HG PCA 1 -4.591 11.767 1.773 7 H ASP 2 H ASP 2 -6.439 9.900 -0.490 8 HA ASP 2 HA ASP 2 -8.087 11.095 -2.528 9 1HB ASP 2 2HB ASP 2 -5.429 12.310 -1.927 10 2HB ASP 2 1HB ASP 2 -5.813 12.065 -3.630 11 H TRP 3 H TRP 3 -8.174 9.570 -4.106 12 HA TRP 3 HA TRP 3 -6.740 7.159 -4.007 13 1HB TRP 3 2HB TRP 3 -8.686 7.095 -5.303 14 2HB TRP 3 1HB TRP 3 -8.274 8.569 -6.170 15 HD1 TRP 3 HD TRP 3 -7.998 7.930 -8.587 16 HE1 TRP 3 1HE TRP 3 -6.714 6.123 -9.897 17 HE3 TRP 3 3HE TRP 3 -6.203 5.121 -4.710 18 HZ2 TRP 3 2HZ TRP 3 -5.145 3.797 -9.378 19 HZ3 TRP 3 3HZ TRP 3 -4.821 3.117 -5.153 20 HH2 TRP 3 HH TRP 3 -4.290 2.451 -7.479 21 H GLU 4 H GLU 4 -5.845 10.219 -5.454 22 HA GLU 4 HA GLU 4 -3.721 9.253 -7.122 23 1HB GLU 4 2HB GLU 4 -4.124 11.913 -5.721 24 2HB GLU 4 1HB GLU 4 -2.824 11.603 -6.873 25 1HG GLU 4 2HG GLU 4 -4.678 12.635 -8.059 26 2HG GLU 4 1HG GLU 4 -4.554 10.950 -8.564 27 H THR 5 H THR 5 -3.089 11.194 -4.197 28 HA THR 5 HA THR 5 -0.513 10.245 -3.705 29 HB THR 5 HB THR 5 -1.500 12.098 -2.453 30 HG1 THR 5 1HG THR 5 0.124 10.415 -1.564 31 1HG2 THR 5 1HG2 THR 5 -3.742 10.774 -2.220 32 2HG2 THR 5 2HG2 THR 5 -3.256 11.862 -0.921 33 3HG2 THR 5 3HG2 THR 5 -3.002 10.125 -0.757 34 H PHE 6 H PHE 6 -3.557 8.914 -2.374 35 HA PHE 6 HA PHE 6 -2.458 6.802 -0.890 36 1HB PHE 6 2HB PHE 6 -4.841 7.219 -0.810 37 2HB PHE 6 1HB PHE 6 -5.002 6.889 -2.534 38 HD1 PHE 6 1HD PHE 6 -4.930 5.458 0.782 39 HD2 PHE 6 2HD PHE 6 -4.459 4.550 -3.387 40 HE1 PHE 6 1HE PHE 6 -5.282 3.053 1.264 41 HE2 PHE 6 2HE PHE 6 -4.808 2.144 -2.906 42 HZ PHE 6 HZ PHE 6 -5.219 1.395 -0.579 43 H GLN 7 H GLN 7 -2.658 7.248 -4.329 44 HA GLN 7 HA GLN 7 -1.952 4.433 -4.874 45 1HB GLN 7 2HB GLN 7 -3.507 5.605 -6.398 46 2HB GLN 7 1HB GLN 7 -2.256 6.790 -6.762 47 1HG GLN 7 2HG GLN 7 -1.691 3.861 -7.148 48 2HG GLN 7 1HG GLN 7 -2.596 4.749 -8.373 49 1HE2 GLN 7 1HE2 GLN 7 -1.348 7.216 -8.451 50 2HE2 GLN 7 2HE2 GLN 7 0.289 7.043 -8.865 51 H LYS 8 H LYS 8 -0.391 7.479 -4.352 52 HA LYS 8 HA LYS 8 2.059 6.648 -5.778 53 1HB LYS 8 2HB LYS 8 1.637 9.091 -4.046 54 2HB LYS 8 1HB LYS 8 2.897 8.839 -5.256 55 1HG LYS 8 2HG LYS 8 0.872 8.485 -6.895 56 2HG LYS 8 1HG LYS 8 -0.040 9.352 -5.665 57 1HD LYS 8 2HD LYS 8 1.602 11.210 -5.774 58 2HD LYS 8 1HD LYS 8 2.463 10.353 -7.052 59 1HE LYS 8 2HE LYS 8 -0.371 11.417 -7.151 60 2HE LYS 8 1HE LYS 8 1.005 11.952 -8.117 61 1HZ LYS 8 1HZ LYS 8 0.956 9.325 -8.641 62 2HZ LYS 8 2HZ LYS 8 0.202 10.505 -9.604 63 3HZ LYS 8 3HZ LYS 8 -0.700 9.642 -8.452 64 H LYS 9 H LYS 9 1.171 7.397 -2.368 65 HA LYS 9 HA LYS 9 3.795 6.363 -1.509 66 1HB LYS 9 2HB LYS 9 2.832 6.948 0.810 67 2HB LYS 9 1HB LYS 9 3.161 8.275 -0.301 68 1HG LYS 9 2HG LYS 9 0.895 8.624 -0.772 69 2HG LYS 9 1HG LYS 9 0.438 6.996 -0.271 70 1HD LYS 9 2HD LYS 9 0.652 7.515 2.029 71 2HD LYS 9 1HD LYS 9 1.573 8.982 1.699 72 1HE LYS 9 2HE LYS 9 -1.017 9.105 2.300 73 2HE LYS 9 1HE LYS 9 -0.310 10.200 1.113 74 1HZ LYS 9 1HZ LYS 9 -1.200 7.632 0.097 75 2HZ LYS 9 2HZ LYS 9 -1.347 9.182 -0.582 76 3HZ LYS 9 3HZ LYS 9 -2.429 8.674 0.625 77 H HIS 10 H HIS 10 0.358 5.420 -1.019 78 HA HIS 10 HA HIS 10 1.176 3.098 0.558 79 1HB HIS 10 2HB HIS 10 -1.493 3.941 -0.581 80 2HB HIS 10 1HB HIS 10 -1.263 2.479 0.376 81 HD1 HIS 10 1HD HIS 10 0.568 3.380 2.583 82 HD2 HIS 10 2HD HIS 10 -2.567 5.763 1.207 83 HE1 HIS 10 1HE HIS 10 0.031 5.007 4.451 84 HE2 HIS 10 2HE HIS 10 -1.875 6.462 3.624 85 H LEU 11 H LEU 11 1.062 3.685 -2.799 86 HA LEU 11 HA LEU 11 1.003 0.716 -3.277 87 1HB LEU 11 2HB LEU 11 -0.392 2.944 -4.654 88 2HB LEU 11 1HB LEU 11 0.340 1.748 -5.715 89 HG LEU 11 HG LEU 11 -0.834 -0.043 -4.407 90 1HD1 LEU 11 1HD1 LEU 11 -1.270 0.961 -2.308 91 2HD1 LEU 11 2HD1 LEU 11 -2.851 0.869 -3.073 92 3HD1 LEU 11 3HD1 LEU 11 -1.973 2.399 -3.040 93 1HD2 LEU 11 1HD2 LEU 11 -3.016 0.367 -5.428 94 2HD2 LEU 11 2HD2 LEU 11 -1.742 0.901 -6.524 95 3HD2 LEU 11 3HD2 LEU 11 -2.646 2.085 -5.580 96 H THR 12 H THR 12 2.427 -0.058 -4.919 97 HA THR 12 HA THR 12 4.457 1.891 -5.910 98 HB THR 12 HB THR 12 5.536 0.937 -3.982 99 HG1 THR 12 1HG THR 12 6.818 1.039 -5.826 100 1HG2 THR 12 1HG2 THR 12 5.595 -1.857 -4.700 101 2HG2 THR 12 2HG2 THR 12 3.922 -1.324 -4.554 102 3HG2 THR 12 3HG2 THR 12 5.034 -1.117 -3.204 103 H ASP 13 H ASP 13 6.082 0.119 -7.288 104 HA ASP 13 HA ASP 13 4.141 -1.173 -9.176 105 1HB ASP 13 2HB ASP 13 5.268 0.907 -10.030 106 2HB ASP 13 1HB ASP 13 6.811 0.065 -9.884 107 H THR 14 H THR 14 5.977 -2.259 -6.854 108 HA THR 14 HA THR 14 6.702 -4.676 -8.340 109 HB THR 14 HB THR 14 8.653 -3.211 -8.778 110 HG1 THR 14 1HG THR 14 8.715 -5.574 -7.389 111 1HG2 THR 14 1HG2 THR 14 10.043 -2.433 -6.956 112 2HG2 THR 14 2HG2 THR 14 9.036 -3.270 -5.776 113 3HG2 THR 14 3HG2 THR 14 8.393 -1.886 -6.660 114 H LYS 15 H LYS 15 7.283 -6.433 -6.915 115 HA LYS 15 HA LYS 15 6.034 -6.231 -4.290 116 1HB LYS 15 2HB LYS 15 6.962 -8.630 -4.094 117 2HB LYS 15 1HB LYS 15 5.773 -8.337 -5.363 118 1HG LYS 15 2HG LYS 15 7.426 -8.287 -7.061 119 2HG LYS 15 1HG LYS 15 8.736 -8.096 -5.894 120 1HD LYS 15 2HD LYS 15 8.716 -10.398 -6.704 121 2HD LYS 15 1HD LYS 15 8.227 -10.375 -5.010 122 1HE LYS 15 2HE LYS 15 5.928 -10.665 -5.561 123 2HE LYS 15 1HE LYS 15 6.213 -10.291 -7.262 124 1HZ LYS 15 1HZ LYS 15 6.030 -12.758 -6.377 125 2HZ LYS 15 2HZ LYS 15 7.693 -12.530 -6.117 126 3HZ LYS 15 3HZ LYS 15 7.040 -12.341 -7.675 127 H LYS 16 H LYS 16 9.179 -5.763 -5.566 128 HA LYS 16 HA LYS 16 10.327 -5.765 -2.798 129 1HB LYS 16 2HB LYS 16 12.545 -6.127 -3.951 130 2HB LYS 16 1HB LYS 16 11.430 -7.486 -4.089 131 1HG LYS 16 2HG LYS 16 10.687 -6.389 -6.320 132 2HG LYS 16 1HG LYS 16 12.172 -5.449 -6.189 133 1HD LYS 16 2HD LYS 16 13.370 -7.696 -5.847 134 2HD LYS 16 1HD LYS 16 11.878 -8.444 -6.417 135 1HE LYS 16 2HE LYS 16 12.018 -7.033 -8.481 136 2HE LYS 16 1HE LYS 16 13.581 -6.439 -7.923 137 1HZ LYS 16 1HZ LYS 16 12.838 -9.111 -8.874 138 2HZ LYS 16 2HZ LYS 16 14.075 -8.978 -7.718 139 3HZ LYS 16 3HZ LYS 16 14.221 -8.190 -9.216 140 H VAL 17 H VAL 17 9.188 -3.515 -3.099 141 HA VAL 17 HA VAL 17 10.146 -1.500 -4.794 142 HB VAL 17 HB VAL 17 9.508 0.097 -3.015 143 1HG1 VAL 17 1HG1 VAL 17 7.508 -2.142 -2.976 144 2HG1 VAL 17 2HG1 VAL 17 7.849 -1.276 -4.470 145 3HG1 VAL 17 3HG1 VAL 17 7.219 -0.408 -3.071 146 1HG2 VAL 17 1HG2 VAL 17 8.582 -0.963 -0.881 147 2HG2 VAL 17 2HG2 VAL 17 10.338 -0.979 -1.042 148 3HG2 VAL 17 3HG2 VAL 17 9.410 -2.443 -1.369 149 H LYS 18 H LYS 18 11.531 0.379 -4.080 150 HA LYS 18 HA LYS 18 14.064 -0.708 -2.983 151 1HB LYS 18 2HB LYS 18 14.917 1.611 -3.804 152 2HB LYS 18 1HB LYS 18 14.498 0.409 -5.025 153 1HG LYS 18 2HG LYS 18 12.331 1.427 -5.378 154 2HG LYS 18 1HG LYS 18 12.576 2.524 -4.020 155 1HD LYS 18 2HD LYS 18 13.053 3.789 -6.001 156 2HD LYS 18 1HD LYS 18 14.609 3.421 -5.258 157 1HE LYS 18 2HE LYS 18 15.086 1.717 -6.840 158 2HE LYS 18 1HE LYS 18 13.412 1.646 -7.390 159 1HZ LYS 18 1HZ LYS 18 13.887 3.162 -8.909 160 2HZ LYS 18 2HZ LYS 18 15.496 3.238 -8.369 161 3HZ LYS 18 3HZ LYS 18 14.322 4.269 -7.700 162 H CYS 19 H CYS 19 12.667 -0.653 -0.915 163 HA CYS 19 HA CYS 19 11.671 1.355 0.536 164 1HB CYS 19 2HB CYS 19 13.787 -0.605 1.433 165 2HB CYS 19 1HB CYS 19 12.922 0.445 2.554 166 H ASP 20 H ASP 20 15.197 0.996 0.071 167 HA ASP 20 HA ASP 20 16.185 3.044 1.646 168 1HB ASP 20 2HB ASP 20 17.689 1.682 0.330 169 2HB ASP 20 1HB ASP 20 17.002 2.293 -1.175 170 H VAL 21 H VAL 21 14.631 3.379 -1.520 171 HA VAL 21 HA VAL 21 14.721 6.346 -1.216 172 HB VAL 21 HB VAL 21 13.733 4.874 -3.648 173 1HG1 VAL 21 1HG1 VAL 21 13.401 7.274 -3.637 174 2HG1 VAL 21 2HG1 VAL 21 14.713 6.909 -4.755 175 3HG1 VAL 21 3HG1 VAL 21 15.073 7.547 -3.151 176 1HG2 VAL 21 1HG2 VAL 21 16.599 5.376 -2.815 177 2HG2 VAL 21 2HG2 VAL 21 16.127 5.059 -4.485 178 3HG2 VAL 21 3HG2 VAL 21 15.859 3.833 -3.246 179 H GLU 22 H GLU 22 12.534 3.587 -1.559 180 HA GLU 22 HA GLU 22 10.089 4.945 -1.907 181 1HB GLU 22 2HB GLU 22 10.847 2.319 -1.409 182 2HB GLU 22 1HB GLU 22 9.912 2.737 0.026 183 1HG GLU 22 2HG GLU 22 8.374 1.858 -1.615 184 2HG GLU 22 1HG GLU 22 8.101 3.598 -1.510 185 H MET 23 H MET 23 12.299 5.283 0.580 186 HA MET 23 HA MET 23 10.251 6.611 2.297 187 1HB MET 23 2HB MET 23 12.322 4.574 3.087 188 2HB MET 23 1HB MET 23 11.796 5.791 4.249 189 1HG MET 23 2HG MET 23 9.392 5.067 3.645 190 2HG MET 23 1HG MET 23 10.144 3.655 2.901 191 1HE MET 23 1HE MET 23 11.885 1.788 5.617 192 2HE MET 23 2HE MET 23 12.729 3.161 4.911 193 3HE MET 23 3HE MET 23 11.688 2.165 3.900 194 H ALA 24 H ALA 24 13.765 6.241 1.671 195 HA ALA 24 HA ALA 24 14.403 8.741 2.992 196 1HB ALA 24 1HB ALA 24 15.967 6.718 2.428 197 2HB ALA 24 2HB ALA 24 16.621 8.352 2.346 198 3HB ALA 24 3HB ALA 24 16.149 7.518 0.866 199 H LYS 25 H LYS 25 12.659 8.213 0.276 200 HA LYS 25 HA LYS 25 13.765 9.999 -1.645 201 1HB LYS 25 2HB LYS 25 11.372 10.193 -2.462 202 2HB LYS 25 1HB LYS 25 11.986 8.550 -2.333 203 1HG LYS 25 2HG LYS 25 10.964 8.644 0.089 204 2HG LYS 25 1HG LYS 25 10.005 9.965 -0.572 205 1HD LYS 25 2HD LYS 25 10.126 7.110 -1.560 206 2HD LYS 25 1HD LYS 25 8.738 7.940 -0.873 207 1HE LYS 25 2HE LYS 25 8.253 8.139 -3.135 208 2HE LYS 25 1HE LYS 25 9.172 9.624 -2.885 209 1HZ LYS 25 1HZ LYS 25 9.745 7.657 -4.685 210 2HZ LYS 25 2HZ LYS 25 10.857 7.380 -3.430 211 3HZ LYS 25 3HZ LYS 25 10.794 8.896 -4.194 212 H ALA 26 H ALA 26 10.935 11.513 -1.478 213 HA ALA 26 HA ALA 26 11.955 13.630 0.384 214 1HB ALA 26 1HB ALA 26 10.963 15.289 -1.112 215 2HB ALA 26 2HB ALA 26 10.350 14.008 -2.158 216 3HB ALA 26 3HB ALA 26 12.088 14.270 -2.010 217 H LEU 27 H LEU 27 9.108 11.855 -0.742 218 HA LEU 27 HA LEU 27 7.280 13.492 0.839 219 1HB LEU 27 2HB LEU 27 5.549 12.086 0.044 220 2HB LEU 27 1HB LEU 27 6.692 12.207 -1.287 221 HG LEU 27 HG LEU 27 7.724 10.032 -0.062 222 1HD1 LEU 27 1HD1 LEU 27 5.558 8.618 0.436 223 2HD1 LEU 27 2HD1 LEU 27 4.836 10.187 0.781 224 3HD1 LEU 27 3HD1 LEU 27 6.233 9.637 1.701 225 1HD2 LEU 27 1HD2 LEU 27 6.492 8.683 -1.712 226 2HD2 LEU 27 2HD2 LEU 27 6.998 10.212 -2.428 227 3HD2 LEU 27 3HD2 LEU 27 5.325 9.987 -1.922 228 H PHE 28 H PHE 28 9.521 11.201 1.752 229 HA PHE 28 HA PHE 28 7.884 10.487 4.161 230 1HB PHE 28 2HB PHE 28 9.641 8.834 2.411 231 2HB PHE 28 1HB PHE 28 9.727 8.510 4.138 232 HD1 PHE 28 1HD PHE 28 8.190 7.421 1.269 233 HD2 PHE 28 2HD PHE 28 7.164 8.668 5.250 234 HE1 PHE 28 1HE PHE 28 6.077 6.135 1.127 235 HE2 PHE 28 2HE PHE 28 5.050 7.384 5.105 236 HZ PHE 28 HZ PHE 28 4.505 6.117 3.045 237 H ASP 29 H ASP 29 11.269 10.787 3.036 238 HA ASP 29 HA ASP 29 12.982 12.096 4.021 239 1HB ASP 29 2HB ASP 29 10.943 13.289 5.220 240 2HB ASP 29 1HB ASP 29 11.491 12.354 6.613 241 H CYS 30 H CYS 30 12.890 9.286 4.040 242 HA CYS 30 HA CYS 30 13.886 7.438 5.091 243 1HB CYS 30 2HB CYS 30 15.872 8.794 4.949 244 2HB CYS 30 1HB CYS 30 15.391 9.743 6.354 245 H LYS 31 H LYS 31 11.645 7.240 6.202 246 HA LYS 31 HA LYS 31 11.519 8.016 9.017 247 1HB LYS 31 2HB LYS 31 9.782 5.999 7.573 248 2HB LYS 31 1HB LYS 31 9.389 6.875 9.046 249 1HG LYS 31 2HG LYS 31 9.818 8.109 6.313 250 2HG LYS 31 1HG LYS 31 8.260 7.870 7.094 251 1HD LYS 31 2HD LYS 31 10.503 9.690 8.014 252 2HD LYS 31 1HD LYS 31 8.914 10.169 7.428 253 1HE LYS 31 2HE LYS 31 8.023 8.698 9.408 254 2HE LYS 31 1HE LYS 31 9.648 8.918 10.060 255 1HZ LYS 31 1HZ LYS 31 7.723 10.630 10.525 256 2HZ LYS 31 2HZ LYS 31 8.258 11.281 9.050 257 3HZ LYS 31 3HZ LYS 31 9.335 11.128 10.356 258 H LYS 32 H LYS 32 10.228 5.107 9.275 259 HA LYS 32 HA LYS 32 12.750 3.589 9.726 260 1HB LYS 32 2HB LYS 32 12.147 3.062 12.011 261 2HB LYS 32 1HB LYS 32 12.140 4.814 11.837 262 1HG LYS 32 2HG LYS 32 9.662 4.699 11.435 263 2HG LYS 32 1HG LYS 32 9.727 2.978 11.812 264 1HD LYS 32 2HD LYS 32 10.662 5.172 13.684 265 2HD LYS 32 1HD LYS 32 9.087 4.385 13.781 266 1HE LYS 32 2HE LYS 32 10.477 2.167 13.840 267 2HE LYS 32 1HE LYS 32 11.812 3.220 14.305 268 1HZ LYS 32 1HZ LYS 32 9.461 3.858 15.759 269 2HZ LYS 32 2HZ LYS 32 10.993 3.404 16.339 270 3HZ LYS 32 3HZ LYS 32 9.844 2.217 15.947 271 H THR 33 H THR 33 9.225 3.635 9.490 272 HA THR 33 HA THR 33 9.332 0.809 8.544 273 HB THR 33 HB THR 33 8.622 0.824 10.944 274 HG1 THR 33 1HG THR 33 7.708 -0.559 9.154 275 1HG2 THR 33 1HG2 THR 33 6.639 1.935 11.643 276 2HG2 THR 33 2HG2 THR 33 6.158 2.281 9.982 277 3HG2 THR 33 3HG2 THR 33 7.528 3.130 10.698 278 H ASN 34 H ASN 34 8.008 0.465 6.778 279 HA ASN 34 HA ASN 34 5.853 2.405 6.180 280 1HB ASN 34 2HB ASN 34 8.386 2.100 4.607 281 2HB ASN 34 1HB ASN 34 6.887 2.433 3.743 282 1HD2 ASN 34 1HD2 ASN 34 6.663 4.638 3.389 283 2HD2 ASN 34 2HD2 ASN 34 7.115 5.857 4.481 284 H THR 35 H THR 35 4.362 1.613 4.607 285 HA THR 35 HA THR 35 4.749 -1.209 3.719 286 HB THR 35 HB THR 35 2.222 -0.135 5.013 287 HG1 THR 35 1HG THR 35 3.623 -0.496 6.635 288 1HG2 THR 35 1HG2 THR 35 1.538 -2.531 4.914 289 2HG2 THR 35 2HG2 THR 35 3.002 -2.880 3.995 290 3HG2 THR 35 3HG2 THR 35 1.766 -1.822 3.315 291 H PHE 36 H PHE 36 3.467 -1.739 1.829 292 HA PHE 36 HA PHE 36 1.925 0.444 0.563 293 1HB PHE 36 2HB PHE 36 3.950 -0.738 -1.266 294 2HB PHE 36 1HB PHE 36 3.314 0.898 -1.212 295 HD1 PHE 36 1HD PHE 36 5.408 -1.411 0.874 296 HD2 PHE 36 2HD PHE 36 4.746 2.594 -0.502 297 HE1 PHE 36 1HE PHE 36 7.469 -0.678 2.036 298 HE2 PHE 36 2HE PHE 36 6.804 3.336 0.663 299 HZ PHE 36 HZ PHE 36 8.167 1.698 1.928 300 H ILE 37 H ILE 37 1.171 -0.506 -1.750 301 HA ILE 37 HA ILE 37 0.564 -3.411 -1.337 302 HB ILE 37 HB ILE 37 -1.236 -1.309 -2.559 303 1HG1 ILE 37 2HG1 ILE 37 -1.908 -2.720 -0.005 304 2HG1 ILE 37 1HG1 ILE 37 -0.698 -1.446 0.085 305 1HG2 ILE 37 1HG2 ILE 37 -2.939 -3.148 -2.339 306 2HG2 ILE 37 2HG2 ILE 37 -1.626 -4.238 -1.893 307 3HG2 ILE 37 3HG2 ILE 37 -1.654 -3.501 -3.495 308 1HD1 ILE 37 1HD1 ILE 37 -2.205 0.212 -0.374 309 2HD1 ILE 37 2HD1 ILE 37 -3.338 -0.957 0.294 310 3HD1 ILE 37 3HD1 ILE 37 -3.164 -0.802 -1.452 311 H TYR 38 H TYR 38 1.000 -4.740 -3.047 312 HA TYR 38 HA TYR 38 2.093 -3.446 -5.497 313 1HB TYR 38 2HB TYR 38 3.435 -5.239 -4.496 314 2HB TYR 38 1HB TYR 38 2.069 -6.346 -4.610 315 HD1 TYR 38 1HD TYR 38 3.888 -3.948 -6.862 316 HD2 TYR 38 2HD TYR 38 2.108 -7.831 -6.400 317 HE1 TYR 38 1HE TYR 38 4.537 -4.523 -9.185 318 HE2 TYR 38 2HE TYR 38 2.759 -8.404 -8.722 319 HH TYR 38 HH TYR 38 3.810 -6.084 -10.963 320 H ALA 39 H ALA 39 0.330 -2.833 -6.747 321 HA ALA 39 HA ALA 39 -1.208 -5.003 -7.987 322 1HB ALA 39 1HB ALA 39 -3.411 -3.944 -7.438 323 2HB ALA 39 2HB ALA 39 -2.572 -2.862 -6.326 324 3HB ALA 39 3HB ALA 39 -2.590 -4.599 -6.022 325 H LEU 40 H LEU 40 -2.322 -4.254 -9.921 326 HA LEU 40 HA LEU 40 -1.071 -1.818 -11.017 327 1HB LEU 40 2HB LEU 40 -1.312 -2.780 -13.076 328 2HB LEU 40 1HB LEU 40 -1.458 -4.248 -12.119 329 HG LEU 40 HG LEU 40 -4.044 -3.539 -12.099 330 1HD1 LEU 40 1HD1 LEU 40 -4.723 -2.399 -14.074 331 2HD1 LEU 40 2HD1 LEU 40 -3.126 -2.545 -14.801 332 3HD1 LEU 40 3HD1 LEU 40 -3.382 -1.446 -13.451 333 1HD2 LEU 40 1HD2 LEU 40 -4.339 -4.998 -14.085 334 2HD2 LEU 40 2HD2 LEU 40 -3.154 -5.662 -12.959 335 3HD2 LEU 40 3HD2 LEU 40 -2.615 -4.854 -14.431 336 HA PRO 41 HA PRO 41 -4.281 1.109 -10.350 337 1HB PRO 41 2HB PRO 41 -4.415 1.392 -13.320 338 2HB PRO 41 1HB PRO 41 -4.222 2.638 -12.075 339 1HG PRO 41 2HG PRO 41 -2.188 1.646 -13.623 340 2HG PRO 41 1HG PRO 41 -1.974 2.434 -12.055 341 1HD PRO 41 2HD PRO 41 -1.509 -0.349 -12.740 342 2HD PRO 41 1HD PRO 41 -1.187 0.477 -11.202 343 H GLY 42 H GLY 42 -4.971 -0.717 -13.357 344 1HA GLY 42 2HA GLY 42 -7.767 -0.535 -13.285 345 2HA GLY 42 1HA GLY 42 -6.908 -1.900 -13.994 346 H ARG 43 H ARG 43 -5.805 -3.189 -11.895 347 HA ARG 43 HA ARG 43 -7.992 -4.568 -10.707 348 1HB ARG 43 2HB ARG 43 -5.761 -5.578 -11.008 349 2HB ARG 43 1HB ARG 43 -5.102 -4.472 -9.802 350 1HG ARG 43 2HG ARG 43 -6.473 -5.423 -8.066 351 2HG ARG 43 1HG ARG 43 -7.387 -6.377 -9.235 352 1HD ARG 43 2HD ARG 43 -5.227 -7.540 -9.841 353 2HD ARG 43 1HD ARG 43 -4.473 -6.711 -8.479 354 HE ARG 43 HE ARG 43 -6.666 -7.919 -7.331 355 1HH1 ARG 43 1HH2 ARG 43 -4.090 -8.936 -9.385 356 2HH1 ARG 43 2HH2 ARG 43 -4.061 -10.554 -8.768 357 1HH2 ARG 43 1HH1 ARG 43 -6.643 -10.026 -6.515 358 2HH2 ARG 43 2HH1 ARG 43 -5.507 -11.172 -7.143 359 H VAL 44 H VAL 44 -6.129 -1.787 -9.625 360 HA VAL 44 HA VAL 44 -7.074 -1.935 -6.875 361 HB VAL 44 HB VAL 44 -5.852 0.378 -8.411 362 1HG1 VAL 44 1HG1 VAL 44 -6.596 -0.057 -5.526 363 2HG1 VAL 44 2HG1 VAL 44 -6.835 1.372 -6.532 364 3HG1 VAL 44 3HG1 VAL 44 -5.226 0.975 -5.933 365 1HG2 VAL 44 1HG2 VAL 44 -4.512 -1.454 -6.410 366 2HG2 VAL 44 2HG2 VAL 44 -3.751 -0.335 -7.542 367 3HG2 VAL 44 3HG2 VAL 44 -4.516 -1.807 -8.138 368 H LYS 45 H LYS 45 -7.788 0.367 -9.536 369 HA LYS 45 HA LYS 45 -10.023 1.550 -8.160 370 1HB LYS 45 2HB LYS 45 -10.553 2.591 -10.294 371 2HB LYS 45 1HB LYS 45 -8.801 2.613 -10.080 372 1HG LYS 45 2HG LYS 45 -8.804 0.381 -11.382 373 2HG LYS 45 1HG LYS 45 -10.447 0.809 -11.855 374 1HD LYS 45 2HD LYS 45 -8.001 2.548 -12.295 375 2HD LYS 45 1HD LYS 45 -8.779 1.562 -13.533 376 1HE LYS 45 2HE LYS 45 -9.935 3.947 -12.074 377 2HE LYS 45 1HE LYS 45 -9.656 3.771 -13.805 378 1HZ LYS 45 1HZ LYS 45 -11.691 2.434 -12.130 379 2HZ LYS 45 2HZ LYS 45 -11.252 1.823 -13.653 380 3HZ LYS 45 3HZ LYS 45 -11.922 3.378 -13.519 381 H ALA 46 H ALA 46 -9.608 -1.377 -9.914 382 HA ALA 46 HA ALA 46 -12.403 -1.754 -10.638 383 1HB ALA 46 1HB ALA 46 -10.026 -3.628 -10.498 384 2HB ALA 46 2HB ALA 46 -10.732 -2.907 -11.945 385 3HB ALA 46 3HB ALA 46 -11.622 -4.135 -11.046 386 H LEU 47 H LEU 47 -10.309 -2.698 -7.947 387 HA LEU 47 HA LEU 47 -12.221 -4.483 -6.726 388 1HB LEU 47 2HB LEU 47 -9.570 -3.910 -6.305 389 2HB LEU 47 1HB LEU 47 -10.314 -3.094 -4.933 390 HG LEU 47 HG LEU 47 -10.793 -5.992 -5.695 391 1HD1 LEU 47 1HD1 LEU 47 -9.503 -6.420 -3.571 392 2HD1 LEU 47 2HD1 LEU 47 -9.079 -4.707 -3.551 393 3HD1 LEU 47 3HD1 LEU 47 -8.532 -5.736 -4.875 394 1HD2 LEU 47 1HD2 LEU 47 -11.756 -5.982 -3.313 395 2HD2 LEU 47 2HD2 LEU 47 -12.720 -5.177 -4.549 396 3HD2 LEU 47 3HD2 LEU 47 -11.744 -4.223 -3.432 397 H CYS 48 H CYS 48 -12.328 -1.177 -7.178 398 HA CYS 48 HA CYS 48 -13.994 -0.777 -4.717 399 1HB CYS 48 2HB CYS 48 -12.171 1.044 -6.258 400 2HB CYS 48 1HB CYS 48 -13.558 1.739 -5.424 401 H LYS 49 H LYS 49 -14.386 -1.618 -7.780 402 HA LYS 49 HA LYS 49 -16.322 0.374 -8.674 403 1HB LYS 49 2HB LYS 49 -16.551 -0.973 -10.616 404 2HB LYS 49 1HB LYS 49 -14.857 -1.131 -10.153 405 1HG LYS 49 2HG LYS 49 -15.594 -3.212 -8.823 406 2HG LYS 49 1HG LYS 49 -17.097 -3.116 -9.742 407 1HD LYS 49 2HD LYS 49 -15.621 -3.039 -11.842 408 2HD LYS 49 1HD LYS 49 -14.296 -3.543 -10.793 409 1HE LYS 49 2HE LYS 49 -15.795 -5.468 -10.044 410 2HE LYS 49 1HE LYS 49 -16.863 -5.033 -11.378 411 1HZ LYS 49 1HZ LYS 49 -14.107 -5.216 -12.151 412 2HZ LYS 49 2HZ LYS 49 -15.480 -5.923 -12.857 413 3HZ LYS 49 3HZ LYS 49 -14.711 -6.679 -11.544 414 H ASN 50 H ASN 50 -18.572 0.174 -8.651 415 HA ASN 50 HA ASN 50 -20.679 -0.676 -8.059 416 1HB ASN 50 2HB ASN 50 -19.415 -2.923 -8.753 417 2HB ASN 50 1HB ASN 50 -19.514 -3.233 -7.020 418 1HD2 ASN 50 1HD2 ASN 50 -22.105 -1.505 -7.023 419 2HD2 ASN 50 2HD2 ASN 50 -23.292 -2.579 -7.588 420 H ILE 51 H ILE 51 -18.090 -0.166 -6.012 421 HA ILE 51 HA ILE 51 -19.407 -0.932 -3.515 422 HB ILE 51 HB ILE 51 -16.984 0.818 -4.024 423 1HG1 ILE 51 2HG1 ILE 51 -16.624 -1.471 -4.794 424 2HG1 ILE 51 1HG1 ILE 51 -15.732 -1.219 -3.296 425 1HG2 ILE 51 1HG2 ILE 51 -16.542 0.067 -1.565 426 2HG2 ILE 51 2HG2 ILE 51 -18.279 -0.228 -1.519 427 3HG2 ILE 51 3HG2 ILE 51 -17.667 1.392 -1.859 428 1HD1 ILE 51 1HD1 ILE 51 -18.200 -2.850 -3.777 429 2HD1 ILE 51 2HD1 ILE 51 -17.953 -2.137 -2.183 430 3HD1 ILE 51 3HD1 ILE 51 -16.760 -3.251 -2.844 431 H ARG 52 H ARG 52 -19.576 0.893 -1.796 432 HA ARG 52 HA ARG 52 -21.229 3.055 -3.008 433 1HB ARG 52 2HB ARG 52 -20.999 2.187 -0.110 434 2HB ARG 52 1HB ARG 52 -22.173 3.326 -0.769 435 1HG ARG 52 2HG ARG 52 -23.216 1.606 -2.093 436 2HG ARG 52 1HG ARG 52 -21.932 0.458 -1.712 437 1HD ARG 52 2HD ARG 52 -22.600 0.346 0.593 438 2HD ARG 52 1HD ARG 52 -23.707 1.704 0.399 439 HE ARG 52 HE ARG 52 -24.553 -0.265 -1.425 440 1HH1 ARG 52 1HH2 ARG 52 -24.083 0.143 1.965 441 2HH1 ARG 52 2HH2 ARG 52 -25.348 -0.954 2.408 442 1HH2 ARG 52 1HH1 ARG 52 -26.209 -1.698 -0.869 443 2HH2 ARG 52 2HH1 ARG 52 -26.553 -1.996 0.803 444 H ASP 53 H ASP 53 -21.067 4.840 -0.799 445 HA ASP 53 HA ASP 53 -18.765 6.390 -1.494 446 1HB ASP 53 2HB ASP 53 -20.292 6.619 1.098 447 2HB ASP 53 1HB ASP 53 -19.465 7.897 0.206 448 H ASN 54 H ASN 54 -18.116 7.111 1.267 449 HA ASN 54 HA ASN 54 -15.762 5.521 1.585 450 1HB ASN 54 2HB ASN 54 -15.636 6.654 3.849 451 2HB ASN 54 1HB ASN 54 -15.777 7.753 2.476 452 1HD2 ASN 54 1HD2 ASN 54 -18.750 6.258 2.760 453 2HD2 ASN 54 2HD2 ASN 54 -19.540 7.402 3.735 454 H THR 55 H THR 55 -15.797 3.422 2.148 455 HA THR 55 HA THR 55 -17.258 2.612 4.584 456 HB THR 55 HB THR 55 -17.565 0.695 2.339 457 HG1 THR 55 1HG THR 55 -18.821 1.898 1.157 458 1HG2 THR 55 1HG2 THR 55 -19.469 1.798 4.424 459 2HG2 THR 55 2HG2 THR 55 -18.514 0.326 4.590 460 3HG2 THR 55 3HG2 THR 55 -19.782 0.421 3.368 461 H ASP 56 H ASP 56 -16.447 0.499 5.371 462 HA ASP 56 HA ASP 56 -13.594 0.179 4.680 463 1HB ASP 56 2HB ASP 56 -15.163 -1.346 6.768 464 2HB ASP 56 1HB ASP 56 -13.417 -1.107 6.690 465 H VAL 57 H VAL 57 -13.080 -1.206 3.069 466 HA VAL 57 HA VAL 57 -14.862 -3.546 2.564 467 HB VAL 57 HB VAL 57 -13.878 -3.654 0.365 468 1HG1 VAL 57 1HG1 VAL 57 -14.484 -1.464 -0.514 469 2HG1 VAL 57 2HG1 VAL 57 -14.298 -0.737 1.082 470 3HG1 VAL 57 3HG1 VAL 57 -15.599 -1.890 0.784 471 1HG2 VAL 57 1HG2 VAL 57 -12.093 -1.926 -0.236 472 2HG2 VAL 57 2HG2 VAL 57 -11.563 -3.237 0.816 473 3HG2 VAL 57 3HG2 VAL 57 -11.914 -1.650 1.496 474 H LEU 58 H LEU 58 -13.632 -5.575 1.886 475 HA LEU 58 HA LEU 58 -11.014 -5.865 3.280 476 1HB LEU 58 2HB LEU 58 -13.308 -6.571 4.560 477 2HB LEU 58 1HB LEU 58 -12.995 -8.062 3.679 478 HG LEU 58 HG LEU 58 -11.959 -8.135 5.902 479 1HD1 LEU 58 1HD1 LEU 58 -10.860 -9.099 3.769 480 2HD1 LEU 58 2HD1 LEU 58 -9.864 -8.952 5.214 481 3HD1 LEU 58 3HD1 LEU 58 -9.718 -7.763 3.922 482 1HD2 LEU 58 1HD2 LEU 58 -11.462 -5.431 5.488 483 2HD2 LEU 58 2HD2 LEU 58 -9.862 -6.157 5.342 484 3HD2 LEU 58 3HD2 LEU 58 -10.811 -6.403 6.803 485 H SER 59 H SER 59 -9.613 -7.060 2.015 486 HA SER 59 HA SER 59 -10.327 -7.943 -0.569 487 1HB SER 59 2HB SER 59 -8.061 -7.966 -0.561 488 2HB SER 59 1HB SER 59 -7.990 -8.210 1.178 489 HG SER 59 HG SER 59 -7.178 -9.995 -0.048 490 H ARG 60 H ARG 60 -10.757 -10.052 -1.420 491 HA ARG 60 HA ARG 60 -12.330 -11.706 0.431 492 1HB ARG 60 2HB ARG 60 -11.826 -11.862 -2.551 493 2HB ARG 60 1HB ARG 60 -12.843 -13.006 -1.673 494 1HG ARG 60 2HG ARG 60 -14.373 -11.276 -1.019 495 2HG ARG 60 1HG ARG 60 -13.280 -10.012 -1.585 496 1HD ARG 60 2HD ARG 60 -15.249 -10.629 -3.129 497 2HD ARG 60 1HD ARG 60 -13.646 -10.558 -3.863 498 HE ARG 60 HE ARG 60 -14.374 -13.221 -2.897 499 1HH1 ARG 60 1HH2 ARG 60 -14.492 -10.910 -5.453 500 2HH1 ARG 60 2HH2 ARG 60 -14.688 -12.099 -6.697 501 1HH2 ARG 60 1HH1 ARG 60 -14.630 -14.786 -4.507 502 2HH2 ARG 60 2HH1 ARG 60 -14.767 -14.293 -6.161 503 H ASP 61 H ASP 61 -9.113 -11.589 -0.135 504 HA ASP 61 HA ASP 61 -8.734 -14.327 0.795 505 1HB ASP 61 2HB ASP 61 -8.984 -14.774 -1.598 506 2HB ASP 61 1HB ASP 61 -7.774 -13.546 -1.974 507 H ALA 62 H ALA 62 -6.374 -12.629 -1.195 508 HA ALA 62 HA ALA 62 -5.116 -11.406 1.154 509 1HB ALA 62 1HB ALA 62 -4.200 -13.566 1.490 510 2HB ALA 62 2HB ALA 62 -2.935 -12.672 0.648 511 3HB ALA 62 3HB ALA 62 -3.947 -13.814 -0.237 512 H PHE 63 H PHE 63 -2.907 -10.442 0.442 513 HA PHE 63 HA PHE 63 -2.742 -9.807 -2.430 514 1HB PHE 63 2HB PHE 63 -3.699 -7.891 -0.343 515 2HB PHE 63 1HB PHE 63 -2.577 -7.265 -1.550 516 HD1 PHE 63 1HD PHE 63 -5.861 -8.933 -1.066 517 HD2 PHE 63 2HD PHE 63 -3.240 -6.947 -3.830 518 HE1 PHE 63 1HE PHE 63 -7.706 -8.796 -2.718 519 HE2 PHE 63 2HE PHE 63 -5.084 -6.810 -5.481 520 HZ PHE 63 HZ PHE 63 -7.317 -7.735 -4.926 521 H LEU 64 H LEU 64 -0.627 -9.441 -2.992 522 HA LEU 64 HA LEU 64 1.404 -9.789 -0.912 523 1HB LEU 64 2HB LEU 64 1.416 -10.732 -3.332 524 2HB LEU 64 1HB LEU 64 1.943 -9.120 -3.807 525 HG LEU 64 HG LEU 64 3.355 -10.653 -1.616 526 1HD1 LEU 64 1HD1 LEU 64 5.024 -11.223 -3.468 527 2HD1 LEU 64 2HD1 LEU 64 3.746 -10.809 -4.609 528 3HD1 LEU 64 3HD1 LEU 64 3.517 -12.138 -3.473 529 1HD2 LEU 64 1HD2 LEU 64 5.263 -9.184 -2.590 530 2HD2 LEU 64 2HD2 LEU 64 4.025 -8.381 -1.629 531 3HD2 LEU 64 3HD2 LEU 64 3.976 -8.283 -3.388 532 H LEU 65 H LEU 65 1.978 -8.019 0.289 533 HA LEU 65 HA LEU 65 2.275 -5.433 -1.183 534 1HB LEU 65 2HB LEU 65 2.065 -4.864 1.581 535 2HB LEU 65 1HB LEU 65 0.907 -4.484 0.321 536 HG LEU 65 HG LEU 65 0.927 -7.222 1.546 537 1HD1 LEU 65 1HD1 LEU 65 -0.808 -6.303 3.133 538 2HD1 LEU 65 2HD1 LEU 65 -0.336 -4.684 2.619 539 3HD1 LEU 65 3HD1 LEU 65 0.827 -5.720 3.443 540 1HD2 LEU 65 1HD2 LEU 65 -1.448 -7.102 0.874 541 2HD2 LEU 65 2HD2 LEU 65 -0.412 -6.745 -0.505 542 3HD2 LEU 65 3HD2 LEU 65 -1.224 -5.435 0.348 543 HA PRO 66 HA PRO 66 6.509 -5.808 0.232 544 1HB PRO 66 2HB PRO 66 7.369 -3.338 -0.581 545 2HB PRO 66 1HB PRO 66 7.144 -4.701 -1.692 546 1HG PRO 66 2HG PRO 66 5.425 -2.337 -1.236 547 2HG PRO 66 1HG PRO 66 5.711 -3.256 -2.718 548 1HD PRO 66 2HD PRO 66 3.444 -3.486 -1.141 549 2HD PRO 66 1HD PRO 66 4.012 -4.712 -2.295 550 H GLN 67 H GLN 67 7.756 -4.940 2.049 551 HA GLN 67 HA GLN 67 6.543 -2.649 3.487 552 1HB GLN 67 2HB GLN 67 5.559 -4.929 4.262 553 2HB GLN 67 1HB GLN 67 7.135 -5.181 5.012 554 1HG GLN 67 2HG GLN 67 6.836 -2.900 6.110 555 2HG GLN 67 1HG GLN 67 5.159 -2.959 5.565 556 1HE2 GLN 67 1HE2 GLN 67 4.359 -3.128 7.790 557 2HE2 GLN 67 2HE2 GLN 67 4.542 -4.561 8.681 558 H CYS 68 H CYS 68 8.119 -1.354 4.292 559 HA CYS 68 HA CYS 68 10.910 -2.387 4.256 560 1HB CYS 68 2HB CYS 68 9.988 0.439 4.817 561 2HB CYS 68 1HB CYS 68 11.594 -0.098 4.323 562 H ASP 69 H ASP 69 12.096 -2.685 6.128 563 HA ASP 69 HA ASP 69 10.903 -1.703 8.694 564 1HB ASP 69 2HB ASP 69 10.249 -4.065 8.414 565 2HB ASP 69 1HB ASP 69 11.942 -4.509 8.201 566 H ARG 70 H ARG 70 12.413 -0.617 9.851 567 HA ARG 70 HA ARG 70 15.185 -0.538 9.031 568 1HB ARG 70 2HB ARG 70 15.504 0.992 10.848 569 2HB ARG 70 1HB ARG 70 13.905 1.327 10.189 570 1HG ARG 70 2HG ARG 70 13.242 1.157 12.370 571 2HG ARG 70 1HG ARG 70 13.273 -0.571 12.045 572 1HD ARG 70 2HD ARG 70 15.829 -0.329 12.716 573 2HD ARG 70 1HD ARG 70 15.251 1.115 13.544 574 HE ARG 70 HE ARG 70 14.688 -1.646 14.315 575 1HH1 ARG 70 1HH2 ARG 70 13.692 1.655 14.367 576 2HH1 ARG 70 2HH2 ARG 70 12.749 1.487 15.809 577 1HH2 ARG 70 1HH1 ARG 70 13.460 -1.885 16.198 578 2HH2 ARG 70 2HH1 ARG 70 12.617 -0.518 16.846 579 H ILE 71 H ILE 71 16.993 -1.472 10.048 580 HA ILE 71 HA ILE 71 16.532 -3.271 12.357 581 HB ILE 71 HB ILE 71 17.853 -4.275 9.822 582 1HG1 ILE 71 2HG1 ILE 71 15.031 -4.671 10.864 583 2HG1 ILE 71 1HG1 ILE 71 15.502 -3.943 9.328 584 1HG2 ILE 71 1HG2 ILE 71 16.786 -5.820 12.195 585 2HG2 ILE 71 2HG2 ILE 71 18.453 -5.250 12.108 586 3HG2 ILE 71 3HG2 ILE 71 17.852 -6.402 10.916 587 1HD1 ILE 71 1HD1 ILE 71 15.763 -6.834 10.169 588 2HD1 ILE 71 2HD1 ILE 71 16.632 -6.174 8.783 589 3HD1 ILE 71 3HD1 ILE 71 14.869 -6.176 8.799 590 H LYS 72 H LYS 72 18.795 -1.808 10.053 591 HA LYS 72 HA LYS 72 20.799 -1.658 12.270 592 1HB LYS 72 2HB LYS 72 21.458 -2.303 9.381 593 2HB LYS 72 1HB LYS 72 22.593 -2.222 10.730 594 1HG LYS 72 2HG LYS 72 21.498 -4.112 11.817 595 2HG LYS 72 1HG LYS 72 20.269 -4.162 10.552 596 1HD LYS 72 2HD LYS 72 22.073 -4.590 8.876 597 2HD LYS 72 1HD LYS 72 23.239 -4.662 10.198 598 1HE LYS 72 2HE LYS 72 20.778 -6.418 10.105 599 2HE LYS 72 1HE LYS 72 22.322 -6.910 9.408 600 1HZ LYS 72 1HZ LYS 72 22.460 -7.740 11.531 601 2HZ LYS 72 2HZ LYS 72 21.622 -6.435 12.226 602 3HZ LYS 72 3HZ LYS 72 23.231 -6.242 11.717 603 H LEU 73 H LEU 73 22.514 0.015 11.756 604 HA LEU 73 HA LEU 73 22.971 2.279 11.369 605 1HB LEU 73 2HB LEU 73 21.529 2.010 8.740 606 2HB LEU 73 1HB LEU 73 23.034 2.852 9.098 607 HG LEU 73 HG LEU 73 22.635 -0.148 9.005 608 1HD1 LEU 73 1HD1 LEU 73 22.857 0.668 6.788 609 2HD1 LEU 73 2HD1 LEU 73 24.482 0.152 7.236 610 3HD1 LEU 73 3HD1 LEU 73 24.062 1.864 7.262 611 1HD2 LEU 73 1HD2 LEU 73 24.190 0.260 10.772 612 2HD2 LEU 73 2HD2 LEU 73 24.964 1.572 9.885 613 3HD2 LEU 73 3HD2 LEU 73 25.178 -0.098 9.357 614 HA PRO 74 HA PRO 74 19.236 4.578 12.078 615 1HB PRO 74 2HB PRO 74 19.920 7.109 11.384 616 2HB PRO 74 1HB PRO 74 20.687 6.255 12.737 617 1HG PRO 74 2HG PRO 74 21.774 6.923 10.089 618 2HG PRO 74 1HG PRO 74 22.621 6.573 11.604 619 1HD PRO 74 2HD PRO 74 22.148 4.785 9.383 620 2HD PRO 74 1HD PRO 74 23.018 4.441 10.894 621 H CYS 75 H CYS 75 20.270 4.448 8.785 622 HA CYS 75 HA CYS 75 17.509 5.164 7.919 623 1HB CYS 75 2HB CYS 75 19.221 7.095 7.646 624 2HB CYS 75 1HB CYS 75 19.905 6.113 6.350 625 H HIS 76 H HIS 76 18.141 2.595 8.134 626 HA HIS 76 HA HIS 76 18.520 1.729 5.306 627 1HB HIS 76 2HB HIS 76 20.651 1.416 6.678 628 2HB HIS 76 1HB HIS 76 19.750 0.249 7.646 629 HD1 HIS 76 1HD HIS 76 20.278 0.869 3.904 630 HD2 HIS 76 2HD HIS 76 20.059 -2.288 6.622 631 HE1 HIS 76 1HE HIS 76 20.651 -1.255 2.571 632 HE2 HIS 76 2HE HIS 76 20.520 -3.181 4.215 633 H TYR 77 H TYR 77 17.113 0.053 4.733 634 HA TYR 77 HA TYR 77 15.526 -1.200 6.931 635 1HB TYR 77 2HB TYR 77 14.069 -0.456 4.439 636 2HB TYR 77 1HB TYR 77 13.495 -0.502 6.107 637 HD1 TYR 77 1HD TYR 77 13.794 1.392 7.598 638 HD2 TYR 77 2HD TYR 77 15.337 1.471 3.590 639 HE1 TYR 77 1HE TYR 77 14.182 3.833 7.795 640 HE2 TYR 77 2HE TYR 77 15.724 3.912 3.785 641 HH TYR 77 HH TYR 77 15.856 5.525 6.591 642 H LYS 78 H LYS 78 14.462 -3.189 6.289 643 HA LYS 78 HA LYS 78 15.897 -4.551 4.051 644 1HB LYS 78 2HB LYS 78 16.121 -5.484 6.398 645 2HB LYS 78 1HB LYS 78 14.394 -5.829 6.357 646 1HG LYS 78 2HG LYS 78 15.950 -6.807 4.014 647 2HG LYS 78 1HG LYS 78 16.302 -7.605 5.544 648 1HD LYS 78 2HD LYS 78 13.428 -7.194 4.777 649 2HD LYS 78 1HD LYS 78 14.339 -8.476 3.982 650 1HE LYS 78 2HE LYS 78 13.056 -9.001 6.213 651 2HE LYS 78 1HE LYS 78 14.676 -9.655 5.970 652 1HZ LYS 78 1HZ LYS 78 14.541 -8.664 8.129 653 2HZ LYS 78 2HZ LYS 78 13.962 -7.203 7.483 654 3HZ LYS 78 3HZ LYS 78 15.552 -7.706 7.163 655 H LEU 79 H LEU 79 14.597 -6.013 2.719 656 HA LEU 79 HA LEU 79 11.902 -4.908 2.245 657 1HB LEU 79 2HB LEU 79 13.804 -5.563 0.492 658 2HB LEU 79 1HB LEU 79 13.051 -7.149 0.617 659 HG LEU 79 HG LEU 79 12.003 -5.960 -1.210 660 1HD1 LEU 79 1HD1 LEU 79 9.735 -6.198 -0.586 661 2HD1 LEU 79 2HD1 LEU 79 10.051 -5.717 1.079 662 3HD1 LEU 79 3HD1 LEU 79 10.597 -7.289 0.496 663 1HD2 LEU 79 1HD2 LEU 79 12.606 -3.660 0.068 664 2HD2 LEU 79 2HD2 LEU 79 10.912 -3.797 0.538 665 3HD2 LEU 79 3HD2 LEU 79 11.354 -3.752 -1.167 666 H SER 80 H SER 80 10.115 -5.885 3.023 667 HA SER 80 HA SER 80 10.119 -8.832 3.432 668 1HB SER 80 2HB SER 80 10.499 -8.317 5.659 669 2HB SER 80 1HB SER 80 9.774 -6.718 5.520 670 HG SER 80 HG SER 80 8.633 -9.154 6.108 671 H SER 81 H SER 81 8.399 -9.531 2.259 672 HA SER 81 HA SER 81 5.898 -7.882 2.305 673 1HB SER 81 2HB SER 81 5.662 -7.992 0.003 674 2HB SER 81 1HB SER 81 7.420 -7.954 0.116 675 HG SER 81 HG SER 81 7.255 -10.319 0.177 676 H SER 82 H SER 82 3.940 -9.179 1.832 677 HA SER 82 HA SER 82 4.116 -12.087 1.906 678 1HB SER 82 2HB SER 82 3.157 -12.452 4.078 679 2HB SER 82 1HB SER 82 4.524 -11.367 4.316 680 HG SER 82 HG SER 82 1.978 -10.971 4.930 681 H THR 83 H THR 83 1.906 -13.054 1.904 682 HA THR 83 HA THR 83 0.015 -11.202 0.568 683 HB THR 83 HB THR 83 -0.915 -13.733 0.135 684 HG1 THR 83 1HG THR 83 0.639 -14.944 0.899 685 1HG2 THR 83 1HG2 THR 83 1.221 -12.227 -1.389 686 2HG2 THR 83 2HG2 THR 83 -0.523 -12.066 -1.599 687 3HG2 THR 83 3HG2 THR 83 0.285 -13.569 -2.048 688 H ASN 84 H ASN 84 -1.700 -10.555 1.769 689 HA ASN 84 HA ASN 84 -3.146 -12.472 3.447 690 1HB ASN 84 2HB ASN 84 -1.394 -11.814 5.017 691 2HB ASN 84 1HB ASN 84 -1.715 -10.109 4.702 692 1HD2 ASN 84 1HD2 ASN 84 -2.218 -9.931 7.077 693 2HD2 ASN 84 2HD2 ASN 84 -3.743 -10.423 7.638 694 H THR 85 H THR 85 -5.232 -11.588 4.136 695 HA THR 85 HA THR 85 -6.375 -9.766 2.250 696 HB THR 85 HB THR 85 -7.854 -9.944 4.765 697 HG1 THR 85 1HG THR 85 -7.912 -12.112 4.961 698 1HG2 THR 85 1HG2 THR 85 -8.917 -9.531 2.616 699 2HG2 THR 85 2HG2 THR 85 -9.499 -11.062 3.262 700 3HG2 THR 85 3HG2 THR 85 -8.290 -11.050 1.979 701 H ILE 86 H ILE 86 -7.078 -7.574 2.605 702 HA ILE 86 HA ILE 86 -5.878 -6.223 4.983 703 HB ILE 86 HB ILE 86 -4.521 -4.908 3.715 704 1HG1 ILE 86 2HG1 ILE 86 -6.838 -4.747 1.758 705 2HG1 ILE 86 1HG1 ILE 86 -6.295 -3.501 2.882 706 1HG2 ILE 86 1HG2 ILE 86 -5.300 -6.750 1.437 707 2HG2 ILE 86 2HG2 ILE 86 -4.205 -7.212 2.740 708 3HG2 ILE 86 3HG2 ILE 86 -3.765 -5.906 1.647 709 1HD1 ILE 86 1HD1 ILE 86 -4.923 -4.493 0.385 710 2HD1 ILE 86 2HD1 ILE 86 -4.052 -3.595 1.629 711 3HD1 ILE 86 3HD1 ILE 86 -5.407 -2.845 0.786 712 H CYS 87 H CYS 87 -6.975 -4.298 5.624 713 HA CYS 87 HA CYS 87 -9.740 -4.051 4.508 714 1HB CYS 87 2HB CYS 87 -9.306 -4.625 7.001 715 2HB CYS 87 1HB CYS 87 -8.776 -2.957 7.156 716 H ILE 88 H ILE 88 -10.283 -2.093 3.559 717 HA ILE 88 HA ILE 88 -8.536 0.255 4.074 718 HB ILE 88 HB ILE 88 -7.372 -0.175 2.168 719 1HG1 ILE 88 2HG1 ILE 88 -9.994 0.405 0.751 720 2HG1 ILE 88 1HG1 ILE 88 -8.942 1.645 1.432 721 1HG2 ILE 88 1HG2 ILE 88 -9.651 -1.976 1.299 722 2HG2 ILE 88 2HG2 ILE 88 -8.173 -2.492 2.106 723 3HG2 ILE 88 3HG2 ILE 88 -8.100 -1.831 0.475 724 1HD1 ILE 88 1HD1 ILE 88 -7.984 1.653 -0.625 725 2HD1 ILE 88 2HD1 ILE 88 -8.635 0.069 -1.040 726 3HD1 ILE 88 3HD1 ILE 88 -7.164 0.192 -0.076 727 H THR 89 H THR 89 -9.518 2.281 3.288 728 HA THR 89 HA THR 89 -12.495 2.061 3.247 729 HB THR 89 HB THR 89 -10.573 4.207 4.102 730 HG1 THR 89 1HG THR 89 -12.970 3.278 5.269 731 1HG2 THR 89 1HG2 THR 89 -12.728 5.626 4.371 732 2HG2 THR 89 2HG2 THR 89 -13.407 4.555 3.146 733 3HG2 THR 89 3HG2 THR 89 -11.990 5.536 2.772 734 H CYS 90 H CYS 90 -13.514 2.422 1.361 735 HA CYS 90 HA CYS 90 -12.084 3.959 -0.776 736 1HB CYS 90 2HB CYS 90 -12.474 1.351 -0.992 737 2HB CYS 90 1HB CYS 90 -14.109 1.843 -1.433 738 H VAL 91 H VAL 91 -13.298 5.505 -1.852 739 HA VAL 91 HA VAL 91 -15.807 6.313 -0.597 740 HB VAL 91 HB VAL 91 -13.955 7.855 -1.498 741 1HG1 VAL 91 1HG1 VAL 91 -13.692 8.188 -3.765 742 2HG1 VAL 91 2HG1 VAL 91 -15.356 7.743 -4.137 743 3HG1 VAL 91 3HG1 VAL 91 -14.164 6.489 -3.792 744 1HG2 VAL 91 1HG2 VAL 91 -15.672 9.252 -0.991 745 2HG2 VAL 91 2HG2 VAL 91 -16.879 8.122 -1.597 746 3HG2 VAL 91 3HG2 VAL 91 -16.065 9.220 -2.710 747 H ASN 92 H ASN 92 -16.960 7.352 -3.119 748 HA ASN 92 HA ASN 92 -18.859 5.446 -3.722 749 1HB ASN 92 2HB ASN 92 -18.607 7.887 -4.573 750 2HB ASN 92 1HB ASN 92 -17.727 7.159 -5.918 751 1HD2 ASN 92 1HD2 ASN 92 -20.145 8.449 -6.495 752 2HD2 ASN 92 2HD2 ASN 92 -21.332 7.299 -6.883 753 H GLN 93 H GLN 93 -15.661 5.708 -5.031 754 HA GLN 93 HA GLN 93 -15.419 2.951 -5.657 755 1HB GLN 93 2HB GLN 93 -15.395 3.252 -8.219 756 2HB GLN 93 1HB GLN 93 -16.973 3.173 -7.437 757 1HG GLN 93 2HG GLN 93 -17.273 5.531 -7.566 758 2HG GLN 93 1HG GLN 93 -15.572 5.801 -7.946 759 1HE2 GLN 93 1HE2 GLN 93 -18.494 4.175 -9.294 760 2HE2 GLN 93 2HE2 GLN 93 -18.067 4.429 -10.917 761 H LEU 94 H LEU 94 -13.767 4.774 -4.434 762 HA LEU 94 HA LEU 94 -11.394 4.690 -6.192 763 1HB LEU 94 2HB LEU 94 -12.904 7.081 -5.812 764 2HB LEU 94 1HB LEU 94 -11.410 7.265 -4.897 765 HG LEU 94 HG LEU 94 -10.153 6.530 -6.966 766 1HD1 LEU 94 1HD1 LEU 94 -12.960 6.532 -8.023 767 2HD1 LEU 94 2HD1 LEU 94 -11.630 5.427 -8.374 768 3HD1 LEU 94 3HD1 LEU 94 -11.654 7.034 -9.096 769 1HD2 LEU 94 1HD2 LEU 94 -10.573 8.944 -6.247 770 2HD2 LEU 94 2HD2 LEU 94 -11.875 8.975 -7.435 771 3HD2 LEU 94 3HD2 LEU 94 -10.211 8.711 -7.958 772 HA PRO 95 HA PRO 95 -10.214 3.469 -1.956 773 1HB PRO 95 2HB PRO 95 -7.652 2.649 -2.642 774 2HB PRO 95 1HB PRO 95 -9.095 1.622 -2.728 775 1HG PRO 95 2HG PRO 95 -7.638 3.027 -4.888 776 2HG PRO 95 1HG PRO 95 -8.518 1.490 -4.926 777 1HD PRO 95 2HD PRO 95 -9.499 3.840 -5.965 778 2HD PRO 95 1HD PRO 95 -10.531 2.507 -5.403 779 H ILE 96 H ILE 96 -9.403 4.907 -0.421 780 HA ILE 96 HA ILE 96 -7.170 6.690 -1.275 781 HB ILE 96 HB ILE 96 -8.336 8.606 -0.200 782 1HG1 ILE 96 2HG1 ILE 96 -10.988 7.999 -0.137 783 2HG1 ILE 96 1HG1 ILE 96 -10.326 6.439 0.341 784 1HG2 ILE 96 1HG2 ILE 96 -9.452 9.136 -2.149 785 2HG2 ILE 96 2HG2 ILE 96 -10.292 7.587 -2.218 786 3HG2 ILE 96 3HG2 ILE 96 -8.609 7.700 -2.725 787 1HD1 ILE 96 1HD1 ILE 96 -10.508 7.474 2.403 788 2HD1 ILE 96 2HD1 ILE 96 -10.179 9.077 1.748 789 3HD1 ILE 96 3HD1 ILE 96 -8.861 7.930 1.975 790 H HIS 97 H HIS 97 -8.572 4.736 1.255 791 HA HIS 97 HA HIS 97 -6.383 5.768 3.033 792 1HB HIS 97 2HB HIS 97 -9.228 5.883 3.499 793 2HB HIS 97 1HB HIS 97 -8.479 4.841 4.709 794 HD1 HIS 97 1HD HIS 97 -5.831 6.185 5.216 795 HD2 HIS 97 2HD HIS 97 -9.358 8.358 4.723 796 HE1 HIS 97 1HE HIS 97 -5.449 8.435 6.321 797 HE2 HIS 97 2HE HIS 97 -7.590 9.764 6.028 798 H PHE 98 H PHE 98 -5.059 4.213 3.721 799 HA PHE 98 HA PHE 98 -5.823 1.375 3.301 800 1HB PHE 98 2HB PHE 98 -3.666 1.904 2.406 801 2HB PHE 98 1HB PHE 98 -3.198 2.779 3.863 802 HD1 PHE 98 1HD PHE 98 -4.307 -0.629 2.752 803 HD2 PHE 98 2HD PHE 98 -1.939 1.675 5.498 804 HE1 PHE 98 1HE PHE 98 -3.372 -2.721 3.701 805 HE2 PHE 98 2HE PHE 98 -1.004 -0.417 6.447 806 HZ PHE 98 HZ PHE 98 -1.721 -2.615 5.548 807 H ALA 99 H ALA 99 -6.827 0.459 5.032 808 HA ALA 99 HA ALA 99 -6.702 1.515 7.697 809 1HB ALA 99 1HB ALA 99 -8.188 -0.177 8.247 810 2HB ALA 99 2HB ALA 99 -7.375 -1.360 7.228 811 3HB ALA 99 3HB ALA 99 -8.414 -0.137 6.500 812 H GLY 100 H GLY 100 -5.609 -1.757 6.734 813 1HA GLY 100 2HA GLY 100 -2.937 -1.403 7.754 814 2HA GLY 100 1HA GLY 100 -3.951 -2.213 8.949 815 H VAL 101 H VAL 101 -2.988 -4.261 8.791 816 HA VAL 101 HA VAL 101 -3.244 -5.617 6.127 817 HB VAL 101 HB VAL 101 -0.906 -5.441 6.763 818 1HG1 VAL 101 1HG1 VAL 101 -1.335 -5.087 9.198 819 2HG1 VAL 101 2HG1 VAL 101 -0.084 -6.291 8.897 820 3HG1 VAL 101 3HG1 VAL 101 -1.709 -6.803 9.351 821 1HG2 VAL 101 1HG2 VAL 101 -0.311 -7.748 6.654 822 2HG2 VAL 101 2HG2 VAL 101 -1.878 -7.639 5.850 823 3HG2 VAL 101 3HG2 VAL 101 -1.775 -8.243 7.504 824 H GLY 102 H GLY 102 -4.347 -7.559 6.089 825 1HA GLY 102 2HA GLY 102 -5.354 -9.527 7.009 826 2HA GLY 102 1HA GLY 102 -5.047 -8.901 8.627 827 H SER 103 H SER 103 -7.452 -9.771 8.605 828 HA SER 103 HA SER 103 -9.510 -8.236 7.369 829 1HB SER 103 2HB SER 103 -9.608 -9.764 9.985 830 2HB SER 103 1HB SER 103 -11.003 -9.244 9.044 831 HG SER 103 HG SER 103 -10.365 -10.605 7.397 832 H CYS 104 H CYS 104 -11.005 -6.731 8.467 833 HA CYS 104 HA CYS 104 -9.604 -4.586 9.773 834 1HB CYS 104 2HB CYS 104 -12.235 -5.066 8.685 835 2HB CYS 104 1HB CYS 104 -12.398 -4.324 10.275 836 HA PRO 105 HA PRO 105 -9.917 -5.790 14.011 837 1HB PRO 105 2HB PRO 105 -10.362 -3.418 15.290 838 2HB PRO 105 1HB PRO 105 -8.809 -3.828 14.535 839 1HG PRO 105 2HG PRO 105 -11.009 -2.098 13.515 840 2HG PRO 105 1HG PRO 105 -9.255 -1.873 13.409 841 1HD PRO 105 2HD PRO 105 -10.781 -2.821 11.327 842 2HD PRO 105 1HD PRO 105 -9.061 -3.216 11.538 Start of MODEL 11 1 HN PCA 1 H PCA 1 -6.320 9.055 1.006 2 HA PCA 1 HA PCA 1 -7.790 11.102 1.838 3 1HB PCA 1 1HB PCA 1 -6.407 12.515 2.960 4 2HB PCA 1 2HB PCA 1 -5.778 13.003 1.405 5 1HG PCA 1 1HG PCA 1 -4.448 11.692 3.314 6 2HG PCA 1 2HG PCA 1 -4.048 11.695 1.581 7 H ASP 2 H ASP 2 -6.027 9.852 -0.662 8 HA ASP 2 HA ASP 2 -7.734 11.044 -2.640 9 1HB ASP 2 2HB ASP 2 -5.054 12.278 -2.147 10 2HB ASP 2 1HB ASP 2 -5.543 12.062 -3.828 11 H TRP 3 H TRP 3 -7.945 9.311 -3.957 12 HA TRP 3 HA TRP 3 -6.454 6.999 -3.989 13 1HB TRP 3 2HB TRP 3 -8.454 6.966 -5.221 14 2HB TRP 3 1HB TRP 3 -8.002 8.377 -6.168 15 HD1 TRP 3 HD TRP 3 -7.818 7.574 -8.551 16 HE1 TRP 3 1HE TRP 3 -6.601 5.663 -9.774 17 HE3 TRP 3 3HE TRP 3 -5.951 4.979 -4.545 18 HZ2 TRP 3 2HZ TRP 3 -5.054 3.351 -9.151 19 HZ3 TRP 3 3HZ TRP 3 -4.613 2.936 -4.900 20 HH2 TRP 3 HH TRP 3 -4.162 2.115 -7.196 21 H GLU 4 H GLU 4 -5.608 10.027 -5.585 22 HA GLU 4 HA GLU 4 -3.529 8.977 -7.255 23 1HB GLU 4 2HB GLU 4 -3.867 11.708 -5.975 24 2HB GLU 4 1HB GLU 4 -2.625 11.330 -7.169 25 1HG GLU 4 2HG GLU 4 -4.408 10.639 -8.763 26 2HG GLU 4 1HG GLU 4 -5.624 11.118 -7.577 27 H THR 5 H THR 5 -2.769 11.074 -4.474 28 HA THR 5 HA THR 5 -0.198 10.048 -4.035 29 HB THR 5 HB THR 5 -1.071 12.048 -2.884 30 HG1 THR 5 1HG THR 5 0.111 9.922 -1.563 31 1HG2 THR 5 1HG2 THR 5 -3.317 10.798 -2.403 32 2HG2 THR 5 2HG2 THR 5 -2.725 11.971 -1.228 33 3HG2 THR 5 3HG2 THR 5 -2.494 10.245 -0.945 34 H PHE 6 H PHE 6 -3.240 9.002 -2.467 35 HA PHE 6 HA PHE 6 -2.238 6.943 -0.868 36 1HB PHE 6 2HB PHE 6 -4.683 7.740 -1.193 37 2HB PHE 6 1HB PHE 6 -4.738 6.584 -2.523 38 HD1 PHE 6 1HD PHE 6 -4.415 6.980 1.132 39 HD2 PHE 6 2HD PHE 6 -4.634 4.188 -2.124 40 HE1 PHE 6 1HE PHE 6 -4.801 5.135 2.737 41 HE2 PHE 6 2HE PHE 6 -5.019 2.342 -0.520 42 HZ PHE 6 HZ PHE 6 -5.106 2.814 1.913 43 H GLN 7 H GLN 7 -2.428 7.145 -4.334 44 HA GLN 7 HA GLN 7 -1.876 4.260 -4.674 45 1HB GLN 7 2HB GLN 7 -3.377 5.382 -6.283 46 2HB GLN 7 1HB GLN 7 -2.082 6.488 -6.727 47 1HG GLN 7 2HG GLN 7 -1.644 3.519 -6.911 48 2HG GLN 7 1HG GLN 7 -2.511 4.361 -8.194 49 1HE2 GLN 7 1HE2 GLN 7 -1.180 6.726 -8.520 50 2HE2 GLN 7 2HE2 GLN 7 0.457 6.465 -8.886 51 H LYS 8 H LYS 8 -0.197 7.254 -4.370 52 HA LYS 8 HA LYS 8 2.223 6.267 -5.738 53 1HB LYS 8 2HB LYS 8 1.828 8.807 -4.139 54 2HB LYS 8 1HB LYS 8 3.134 8.465 -5.273 55 1HG LYS 8 2HG LYS 8 0.302 8.266 -6.255 56 2HG LYS 8 1HG LYS 8 1.006 9.866 -6.038 57 1HD LYS 8 2HD LYS 8 2.877 9.280 -7.502 58 2HD LYS 8 1HD LYS 8 2.256 7.638 -7.672 59 1HE LYS 8 2HE LYS 8 1.663 9.136 -9.600 60 2HE LYS 8 1HE LYS 8 0.259 8.447 -8.786 61 1HZ LYS 8 1HZ LYS 8 1.362 11.108 -8.103 62 2HZ LYS 8 2HZ LYS 8 -0.139 10.454 -7.652 63 3HZ LYS 8 3HZ LYS 8 0.150 10.891 -9.268 64 H LYS 9 H LYS 9 1.352 7.210 -2.379 65 HA LYS 9 HA LYS 9 3.949 6.219 -1.429 66 1HB LYS 9 2HB LYS 9 2.952 6.843 0.843 67 2HB LYS 9 1HB LYS 9 3.179 8.159 -0.307 68 1HG LYS 9 2HG LYS 9 0.838 8.106 -0.926 69 2HG LYS 9 1HG LYS 9 0.569 6.660 0.048 70 1HD LYS 9 2HD LYS 9 1.224 7.953 2.080 71 2HD LYS 9 1HD LYS 9 1.360 9.400 1.079 72 1HE LYS 9 2HE LYS 9 -1.073 8.875 0.350 73 2HE LYS 9 1HE LYS 9 -1.114 7.816 1.762 74 1HZ LYS 9 1HZ LYS 9 -0.451 10.710 1.781 75 2HZ LYS 9 2HZ LYS 9 -0.471 9.693 3.142 76 3HZ LYS 9 3HZ LYS 9 -1.911 10.026 2.303 77 H HIS 10 H HIS 10 0.535 5.164 -1.129 78 HA HIS 10 HA HIS 10 1.384 2.879 0.529 79 1HB HIS 10 2HB HIS 10 -1.325 3.606 -0.602 80 2HB HIS 10 1HB HIS 10 -1.016 2.275 0.507 81 HD1 HIS 10 1HD HIS 10 -2.857 4.127 1.761 82 HD2 HIS 10 2HD HIS 10 1.233 4.945 1.779 83 HE1 HIS 10 1HE HIS 10 -2.462 5.768 3.652 84 HE2 HIS 10 2HE HIS 10 0.024 6.272 3.672 85 H LEU 11 H LEU 11 1.239 3.443 -2.826 86 HA LEU 11 HA LEU 11 1.151 0.473 -3.277 87 1HB LEU 11 2HB LEU 11 -0.342 2.665 -4.604 88 2HB LEU 11 1HB LEU 11 0.364 1.479 -5.694 89 HG LEU 11 HG LEU 11 -0.702 -0.320 -4.269 90 1HD1 LEU 11 1HD1 LEU 11 -2.757 0.622 -2.979 91 2HD1 LEU 11 2HD1 LEU 11 -1.876 2.148 -2.988 92 3HD1 LEU 11 3HD1 LEU 11 -1.178 0.732 -2.214 93 1HD2 LEU 11 1HD2 LEU 11 -2.668 1.648 -5.457 94 2HD2 LEU 11 2HD2 LEU 11 -2.847 -0.101 -5.329 95 3HD2 LEU 11 3HD2 LEU 11 -1.651 0.585 -6.428 96 H THR 12 H THR 12 2.524 -0.321 -4.933 97 HA THR 12 HA THR 12 4.484 1.632 -6.057 98 HB THR 12 HB THR 12 5.675 0.709 -4.188 99 HG1 THR 12 1HG THR 12 6.912 0.752 -6.022 100 1HG2 THR 12 1HG2 THR 12 5.742 -2.086 -4.752 101 2HG2 THR 12 2HG2 THR 12 4.048 -1.602 -4.707 102 3HG2 THR 12 3HG2 THR 12 5.091 -1.289 -3.322 103 H ASP 13 H ASP 13 6.046 -0.116 -7.507 104 HA ASP 13 HA ASP 13 4.034 -1.472 -9.270 105 1HB ASP 13 2HB ASP 13 6.566 0.017 -10.016 106 2HB ASP 13 1HB ASP 13 5.585 -0.910 -11.151 107 H THR 14 H THR 14 6.189 -2.348 -7.055 108 HA THR 14 HA THR 14 6.868 -4.812 -8.542 109 HB THR 14 HB THR 14 8.765 -3.252 -8.972 110 HG1 THR 14 1HG THR 14 10.359 -4.712 -8.154 111 1HG2 THR 14 1HG2 THR 14 10.148 -2.482 -7.151 112 2HG2 THR 14 2HG2 THR 14 9.210 -3.413 -5.982 113 3HG2 THR 14 3HG2 THR 14 8.485 -2.022 -6.787 114 H LYS 15 H LYS 15 7.432 -6.563 -7.132 115 HA LYS 15 HA LYS 15 6.220 -6.382 -4.495 116 1HB LYS 15 2HB LYS 15 6.919 -8.749 -4.285 117 2HB LYS 15 1HB LYS 15 6.099 -8.459 -5.819 118 1HG LYS 15 2HG LYS 15 8.447 -8.065 -6.801 119 2HG LYS 15 1HG LYS 15 9.059 -8.798 -5.318 120 1HD LYS 15 2HD LYS 15 7.201 -10.066 -7.349 121 2HD LYS 15 1HD LYS 15 8.855 -10.549 -6.974 122 1HE LYS 15 2HE LYS 15 8.003 -10.901 -4.559 123 2HE LYS 15 1HE LYS 15 6.386 -10.836 -5.262 124 1HZ LYS 15 1HZ LYS 15 7.865 -12.514 -6.881 125 2HZ LYS 15 2HZ LYS 15 6.635 -12.956 -5.796 126 3HZ LYS 15 3HZ LYS 15 8.258 -12.960 -5.292 127 H LYS 16 H LYS 16 9.385 -5.953 -5.795 128 HA LYS 16 HA LYS 16 10.544 -5.940 -3.030 129 1HB LYS 16 2HB LYS 16 12.760 -6.148 -4.315 130 2HB LYS 16 1HB LYS 16 11.729 -7.578 -4.294 131 1HG LYS 16 2HG LYS 16 10.815 -6.955 -6.503 132 2HG LYS 16 1HG LYS 16 11.854 -5.532 -6.531 133 1HD LYS 16 2HD LYS 16 13.024 -8.286 -6.147 134 2HD LYS 16 1HD LYS 16 12.665 -7.678 -7.762 135 1HE LYS 16 2HE LYS 16 14.036 -5.617 -7.167 136 2HE LYS 16 1HE LYS 16 14.558 -6.485 -5.723 137 1HZ LYS 16 1HZ LYS 16 15.939 -6.632 -7.895 138 2HZ LYS 16 2HZ LYS 16 14.776 -7.784 -8.350 139 3HZ LYS 16 3HZ LYS 16 15.709 -8.021 -6.949 140 H VAL 17 H VAL 17 9.342 -3.695 -3.285 141 HA VAL 17 HA VAL 17 10.266 -1.637 -4.947 142 HB VAL 17 HB VAL 17 9.596 -0.072 -3.161 143 1HG1 VAL 17 1HG1 VAL 17 7.306 -0.682 -3.124 144 2HG1 VAL 17 2HG1 VAL 17 7.690 -2.401 -3.202 145 3HG1 VAL 17 3HG1 VAL 17 7.949 -1.378 -4.610 146 1HG2 VAL 17 1HG2 VAL 17 9.577 -2.618 -1.520 147 2HG2 VAL 17 2HG2 VAL 17 8.698 -1.170 -1.028 148 3HG2 VAL 17 3HG2 VAL 17 10.453 -1.123 -1.190 149 H LYS 18 H LYS 18 11.616 0.250 -4.205 150 HA LYS 18 HA LYS 18 14.168 -0.804 -3.121 151 1HB LYS 18 2HB LYS 18 14.936 1.584 -3.904 152 2HB LYS 18 1HB LYS 18 14.628 0.345 -5.120 153 1HG LYS 18 2HG LYS 18 12.407 1.221 -5.542 154 2HG LYS 18 1HG LYS 18 12.561 2.363 -4.207 155 1HD LYS 18 2HD LYS 18 12.985 3.525 -6.311 156 2HD LYS 18 1HD LYS 18 14.483 3.429 -5.386 157 1HE LYS 18 2HE LYS 18 15.387 1.767 -6.780 158 2HE LYS 18 1HE LYS 18 13.805 1.299 -7.406 159 1HZ LYS 18 1HZ LYS 18 14.045 3.941 -8.054 160 2HZ LYS 18 2HZ LYS 18 14.254 2.626 -9.109 161 3HZ LYS 18 3HZ LYS 18 15.598 3.318 -8.334 162 H CYS 19 H CYS 19 12.792 -0.804 -1.040 163 HA CYS 19 HA CYS 19 11.755 1.197 0.412 164 1HB CYS 19 2HB CYS 19 13.844 -0.793 1.293 165 2HB CYS 19 1HB CYS 19 13.041 0.288 2.431 166 H ASP 20 H ASP 20 15.239 0.927 -0.254 167 HA ASP 20 HA ASP 20 16.285 2.907 1.395 168 1HB ASP 20 2HB ASP 20 17.730 1.633 -0.076 169 2HB ASP 20 1HB ASP 20 16.958 2.327 -1.502 170 H VAL 21 H VAL 21 14.575 3.341 -1.676 171 HA VAL 21 HA VAL 21 14.562 6.287 -1.215 172 HB VAL 21 HB VAL 21 13.527 4.962 -3.705 173 1HG1 VAL 21 1HG1 VAL 21 14.496 7.044 -4.712 174 2HG1 VAL 21 2HG1 VAL 21 14.949 7.568 -3.091 175 3HG1 VAL 21 3HG1 VAL 21 13.249 7.368 -3.511 176 1HG2 VAL 21 1HG2 VAL 21 15.658 3.867 -3.405 177 2HG2 VAL 21 2HG2 VAL 21 16.431 5.388 -2.957 178 3HG2 VAL 21 3HG2 VAL 21 15.881 5.133 -4.613 179 H GLU 22 H GLU 22 12.500 3.442 -1.611 180 HA GLU 22 HA GLU 22 9.983 4.744 -1.790 181 1HB GLU 22 2HB GLU 22 10.876 2.096 -1.525 182 2HB GLU 22 1HB GLU 22 9.875 2.367 -0.098 183 1HG GLU 22 2HG GLU 22 8.428 1.572 -1.858 184 2HG GLU 22 1HG GLU 22 8.092 3.289 -1.632 185 H MET 23 H MET 23 12.287 4.985 0.564 186 HA MET 23 HA MET 23 10.290 5.912 2.594 187 1HB MET 23 2HB MET 23 12.861 4.365 3.031 188 2HB MET 23 1HB MET 23 11.997 5.191 4.324 189 1HG MET 23 2HG MET 23 9.931 3.833 3.497 190 2HG MET 23 1HG MET 23 11.125 2.815 2.694 191 1HE MET 23 1HE MET 23 9.992 4.589 5.655 192 2HE MET 23 2HE MET 23 11.517 4.557 6.534 193 3HE MET 23 3HE MET 23 10.199 3.503 7.036 194 H ALA 24 H ALA 24 13.684 6.118 1.493 195 HA ALA 24 HA ALA 24 14.198 8.583 2.909 196 1HB ALA 24 1HB ALA 24 16.277 8.633 1.700 197 2HB ALA 24 2HB ALA 24 15.645 7.554 0.456 198 3HB ALA 24 3HB ALA 24 15.947 6.944 2.083 199 H LYS 25 H LYS 25 12.031 8.073 0.570 200 HA LYS 25 HA LYS 25 12.462 9.922 -1.499 201 1HB LYS 25 2HB LYS 25 10.050 8.853 -0.101 202 2HB LYS 25 1HB LYS 25 9.812 10.278 -1.104 203 1HG LYS 25 2HG LYS 25 10.127 9.129 -3.045 204 2HG LYS 25 1HG LYS 25 11.436 8.159 -2.378 205 1HD LYS 25 2HD LYS 25 9.590 6.680 -2.828 206 2HD LYS 25 1HD LYS 25 9.711 6.863 -1.077 207 1HE LYS 25 2HE LYS 25 7.363 7.059 -1.852 208 2HE LYS 25 1HE LYS 25 7.935 8.554 -1.113 209 1HZ LYS 25 1HZ LYS 25 8.280 9.517 -3.235 210 2HZ LYS 25 2HZ LYS 25 6.723 8.837 -3.256 211 3HZ LYS 25 3HZ LYS 25 8.010 8.045 -4.033 212 H ALA 26 H ALA 26 10.608 11.937 -1.398 213 HA ALA 26 HA ALA 26 11.744 13.729 0.694 214 1HB ALA 26 1HB ALA 26 10.705 15.534 -0.747 215 2HB ALA 26 2HB ALA 26 10.287 14.272 -1.906 216 3HB ALA 26 3HB ALA 26 11.979 14.607 -1.537 217 H LEU 27 H LEU 27 8.921 11.954 -0.071 218 HA LEU 27 HA LEU 27 7.191 13.770 1.540 219 1HB LEU 27 2HB LEU 27 5.320 12.479 0.716 220 2HB LEU 27 1HB LEU 27 6.353 12.883 -0.652 221 HG LEU 27 HG LEU 27 7.448 10.489 0.152 222 1HD1 LEU 27 1HD1 LEU 27 5.732 10.009 1.796 223 2HD1 LEU 27 2HD1 LEU 27 5.465 8.953 0.411 224 3HD1 LEU 27 3HD1 LEU 27 4.454 10.377 0.637 225 1HD2 LEU 27 1HD2 LEU 27 5.309 11.178 -1.867 226 2HD2 LEU 27 2HD2 LEU 27 5.936 9.535 -1.736 227 3HD2 LEU 27 3HD2 LEU 27 7.023 10.863 -2.143 228 H PHE 28 H PHE 28 9.290 11.300 2.087 229 HA PHE 28 HA PHE 28 7.682 10.249 4.392 230 1HB PHE 28 2HB PHE 28 9.641 8.948 2.536 231 2HB PHE 28 1HB PHE 28 9.571 8.377 4.199 232 HD1 PHE 28 1HD PHE 28 6.964 8.204 5.077 233 HD2 PHE 28 2HD PHE 28 8.331 7.752 1.029 234 HE1 PHE 28 1HE PHE 28 4.943 6.874 4.542 235 HE2 PHE 28 2HE PHE 28 6.308 6.423 0.495 236 HZ PHE 28 HZ PHE 28 4.615 5.983 2.251 237 H ASP 29 H ASP 29 10.927 11.246 3.320 238 HA ASP 29 HA ASP 29 12.612 12.339 4.541 239 1HB ASP 29 2HB ASP 29 10.981 12.227 7.062 240 2HB ASP 29 1HB ASP 29 12.071 13.488 6.492 241 H CYS 30 H CYS 30 12.486 9.480 4.283 242 HA CYS 30 HA CYS 30 13.475 7.549 5.181 243 1HB CYS 30 2HB CYS 30 15.412 9.134 5.168 244 2HB CYS 30 1HB CYS 30 15.015 9.576 6.827 245 H LYS 31 H LYS 31 11.216 7.334 6.282 246 HA LYS 31 HA LYS 31 11.011 7.941 9.107 247 1HB LYS 31 2HB LYS 31 9.497 5.815 7.571 248 2HB LYS 31 1HB LYS 31 8.996 6.593 9.064 249 1HG LYS 31 2HG LYS 31 9.348 7.966 6.385 250 2HG LYS 31 1HG LYS 31 7.807 7.536 7.115 251 1HD LYS 31 2HD LYS 31 9.821 9.556 8.138 252 2HD LYS 31 1HD LYS 31 8.190 9.869 7.555 253 1HE LYS 31 2HE LYS 31 7.459 8.242 9.472 254 2HE LYS 31 1HE LYS 31 9.047 8.611 10.146 255 1HZ LYS 31 1HZ LYS 31 6.748 10.149 10.298 256 2HZ LYS 31 2HZ LYS 31 7.805 10.982 9.262 257 3HZ LYS 31 3HZ LYS 31 8.303 10.563 10.830 258 H LYS 32 H LYS 32 9.983 5.211 9.779 259 HA LYS 32 HA LYS 32 12.592 3.761 10.044 260 1HB LYS 32 2HB LYS 32 12.288 4.536 12.227 261 2HB LYS 32 1HB LYS 32 10.531 4.488 12.108 262 1HG LYS 32 2HG LYS 32 10.447 2.155 12.414 263 2HG LYS 32 1HG LYS 32 12.146 1.947 11.994 264 1HD LYS 32 2HD LYS 32 12.779 3.180 14.065 265 2HD LYS 32 1HD LYS 32 11.072 3.278 14.498 266 1HE LYS 32 2HE LYS 32 12.602 0.699 14.043 267 2HE LYS 32 1HE LYS 32 12.208 1.375 15.623 268 1HZ LYS 32 1HZ LYS 32 10.554 -0.097 13.818 269 2HZ LYS 32 2HZ LYS 32 9.835 1.370 14.283 270 3HZ LYS 32 3HZ LYS 32 10.318 0.247 15.462 271 H THR 33 H THR 33 9.143 3.654 9.520 272 HA THR 33 HA THR 33 9.405 0.803 8.692 273 HB THR 33 HB THR 33 7.058 1.844 10.304 274 HG1 THR 33 1HG THR 33 9.357 0.386 11.081 275 1HG2 THR 33 1HG2 THR 33 6.653 -0.631 10.555 276 2HG2 THR 33 2HG2 THR 33 7.942 -0.900 9.381 277 3HG2 THR 33 3HG2 THR 33 6.481 -0.033 8.905 278 H ASN 34 H ASN 34 8.124 0.311 6.871 279 HA ASN 34 HA ASN 34 6.171 2.335 5.946 280 1HB ASN 34 2HB ASN 34 8.619 2.784 5.088 281 2HB ASN 34 1HB ASN 34 8.272 1.451 3.990 282 1HD2 ASN 34 1HD2 ASN 34 8.153 4.761 4.117 283 2HD2 ASN 34 2HD2 ASN 34 6.875 5.043 3.036 284 H THR 35 H THR 35 4.675 1.494 4.455 285 HA THR 35 HA THR 35 4.987 -1.356 3.652 286 HB THR 35 HB THR 35 2.613 -0.179 5.127 287 HG1 THR 35 1HG THR 35 4.155 -0.898 6.523 288 1HG2 THR 35 1HG2 THR 35 1.723 -2.560 4.862 289 2HG2 THR 35 2HG2 THR 35 2.952 -2.772 3.614 290 3HG2 THR 35 3HG2 THR 35 1.692 -1.554 3.412 291 H PHE 36 H PHE 36 3.661 -1.912 1.804 292 HA PHE 36 HA PHE 36 2.097 0.246 0.533 293 1HB PHE 36 2HB PHE 36 4.095 -0.959 -1.314 294 2HB PHE 36 1HB PHE 36 3.431 0.665 -1.295 295 HD1 PHE 36 1HD PHE 36 5.595 -1.540 0.833 296 HD2 PHE 36 2HD PHE 36 4.858 2.402 -0.689 297 HE1 PHE 36 1HE PHE 36 7.665 -0.738 1.923 298 HE2 PHE 36 2HE PHE 36 6.929 3.211 0.404 299 HZ PHE 36 HZ PHE 36 8.339 1.638 1.703 300 H ILE 37 H ILE 37 1.337 -0.745 -1.763 301 HA ILE 37 HA ILE 37 0.743 -3.643 -1.299 302 HB ILE 37 HB ILE 37 -1.104 -1.554 -2.471 303 1HG1 ILE 37 2HG1 ILE 37 -1.721 -2.988 0.080 304 2HG1 ILE 37 1HG1 ILE 37 -0.499 -1.725 0.161 305 1HG2 ILE 37 1HG2 ILE 37 -2.783 -3.430 -2.181 306 2HG2 ILE 37 2HG2 ILE 37 -1.417 -4.500 -1.863 307 3HG2 ILE 37 3HG2 ILE 37 -1.568 -3.706 -3.430 308 1HD1 ILE 37 1HD1 ILE 37 -3.129 -1.216 0.434 309 2HD1 ILE 37 2HD1 ILE 37 -2.994 -1.042 -1.314 310 3HD1 ILE 37 3HD1 ILE 37 -2.001 -0.047 -0.247 311 H TYR 38 H TYR 38 1.156 -4.976 -2.999 312 HA TYR 38 HA TYR 38 2.153 -3.699 -5.501 313 1HB TYR 38 2HB TYR 38 3.572 -5.430 -4.482 314 2HB TYR 38 1HB TYR 38 2.241 -6.582 -4.562 315 HD1 TYR 38 1HD TYR 38 3.985 -4.171 -6.857 316 HD2 TYR 38 2HD TYR 38 2.265 -8.075 -6.345 317 HE1 TYR 38 1HE TYR 38 4.620 -4.757 -9.181 318 HE2 TYR 38 2HE TYR 38 2.902 -8.659 -8.668 319 HH TYR 38 HH TYR 38 3.637 -6.527 -10.964 320 H ALA 39 H ALA 39 0.274 -3.150 -6.642 321 HA ALA 39 HA ALA 39 -1.218 -5.425 -7.785 322 1HB ALA 39 1HB ALA 39 -2.540 -3.240 -6.155 323 2HB ALA 39 2HB ALA 39 -2.596 -4.977 -5.857 324 3HB ALA 39 3HB ALA 39 -3.421 -4.296 -7.260 325 H LEU 40 H LEU 40 -2.258 -4.851 -9.777 326 HA LEU 40 HA LEU 40 -1.066 -2.515 -11.060 327 1HB LEU 40 2HB LEU 40 -1.559 -3.551 -13.043 328 2HB LEU 40 1HB LEU 40 -1.678 -4.958 -11.995 329 HG LEU 40 HG LEU 40 -4.213 -4.124 -11.768 330 1HD1 LEU 40 1HD1 LEU 40 -3.558 -3.320 -14.603 331 2HD1 LEU 40 2HD1 LEU 40 -3.564 -2.135 -13.302 332 3HD1 LEU 40 3HD1 LEU 40 -5.036 -3.020 -13.694 333 1HD2 LEU 40 1HD2 LEU 40 -4.724 -5.606 -13.758 334 2HD2 LEU 40 2HD2 LEU 40 -3.640 -6.325 -12.567 335 3HD2 LEU 40 3HD2 LEU 40 -2.990 -5.669 -14.070 336 HA PRO 41 HA PRO 41 -3.985 0.681 -10.321 337 1HB PRO 41 2HB PRO 41 -4.368 0.774 -13.282 338 2HB PRO 41 1HB PRO 41 -3.988 2.085 -12.151 339 1HG PRO 41 2HG PRO 41 -2.164 0.853 -13.784 340 2HG PRO 41 1HG PRO 41 -1.765 1.721 -12.296 341 1HD PRO 41 2HD PRO 41 -1.543 -1.123 -12.824 342 2HD PRO 41 1HD PRO 41 -1.041 -0.229 -11.374 343 H GLY 42 H GLY 42 -5.090 -1.264 -13.122 344 1HA GLY 42 2HA GLY 42 -7.855 -0.854 -12.756 345 2HA GLY 42 1HA GLY 42 -7.173 -2.282 -13.531 346 H ARG 43 H ARG 43 -5.784 -3.369 -11.327 347 HA ARG 43 HA ARG 43 -7.850 -4.821 -10.017 348 1HB ARG 43 2HB ARG 43 -5.512 -5.634 -10.307 349 2HB ARG 43 1HB ARG 43 -4.983 -4.456 -9.106 350 1HG ARG 43 2HG ARG 43 -6.243 -5.508 -7.374 351 2HG ARG 43 1HG ARG 43 -7.137 -6.497 -8.528 352 1HD ARG 43 2HD ARG 43 -4.159 -6.690 -7.990 353 2HD ARG 43 1HD ARG 43 -5.379 -7.820 -7.404 354 HE ARG 43 HE ARG 43 -5.607 -7.622 -10.243 355 1HH1 ARG 43 1HH2 ARG 43 -3.524 -8.750 -7.737 356 2HH1 ARG 43 2HH2 ARG 43 -2.844 -10.025 -8.694 357 1HH2 ARG 43 1HH1 ARG 43 -4.732 -9.280 -11.506 358 2HH2 ARG 43 2HH1 ARG 43 -3.528 -10.324 -10.828 359 H VAL 44 H VAL 44 -6.100 -1.889 -9.089 360 HA VAL 44 HA VAL 44 -7.120 -1.930 -6.357 361 HB VAL 44 HB VAL 44 -6.223 0.640 -7.586 362 1HG1 VAL 44 1HG1 VAL 44 -5.478 -0.873 -5.062 363 2HG1 VAL 44 2HG1 VAL 44 -6.681 0.414 -5.168 364 3HG1 VAL 44 3HG1 VAL 44 -4.980 0.770 -5.462 365 1HG2 VAL 44 1HG2 VAL 44 -4.716 -0.848 -8.723 366 2HG2 VAL 44 2HG2 VAL 44 -4.463 -1.805 -7.267 367 3HG2 VAL 44 3HG2 VAL 44 -3.827 -0.165 -7.367 368 H LYS 45 H LYS 45 -7.765 0.235 -9.142 369 HA LYS 45 HA LYS 45 -10.036 1.501 -7.976 370 1HB LYS 45 2HB LYS 45 -9.706 0.958 -10.937 371 2HB LYS 45 1HB LYS 45 -10.515 2.323 -10.166 372 1HG LYS 45 2HG LYS 45 -8.356 3.096 -9.256 373 2HG LYS 45 1HG LYS 45 -7.544 1.731 -10.019 374 1HD LYS 45 2HD LYS 45 -7.293 3.719 -11.420 375 2HD LYS 45 1HD LYS 45 -8.314 2.538 -12.239 376 1HE LYS 45 2HE LYS 45 -9.655 4.573 -10.500 377 2HE LYS 45 1HE LYS 45 -9.038 5.099 -12.065 378 1HZ LYS 45 1HZ LYS 45 -11.429 4.051 -11.783 379 2HZ LYS 45 2HZ LYS 45 -10.557 2.609 -11.997 380 3HZ LYS 45 3HZ LYS 45 -10.506 3.819 -13.187 381 H ALA 46 H ALA 46 -9.558 -1.630 -9.286 382 HA ALA 46 HA ALA 46 -12.391 -2.165 -9.827 383 1HB ALA 46 1HB ALA 46 -9.922 -3.924 -9.746 384 2HB ALA 46 2HB ALA 46 -10.761 -3.335 -11.182 385 3HB ALA 46 3HB ALA 46 -11.531 -4.527 -10.137 386 H LEU 47 H LEU 47 -10.102 -2.566 -7.203 387 HA LEU 47 HA LEU 47 -11.526 -4.506 -5.684 388 1HB LEU 47 2HB LEU 47 -9.118 -3.570 -5.386 389 2HB LEU 47 1HB LEU 47 -9.895 -2.287 -4.457 390 HG LEU 47 HG LEU 47 -11.102 -4.353 -3.297 391 1HD1 LEU 47 1HD1 LEU 47 -9.854 -5.927 -4.884 392 2HD1 LEU 47 2HD1 LEU 47 -9.767 -6.324 -3.168 393 3HD1 LEU 47 3HD1 LEU 47 -8.402 -5.536 -3.961 394 1HD2 LEU 47 1HD2 LEU 47 -8.299 -3.347 -2.741 395 2HD2 LEU 47 2HD2 LEU 47 -9.202 -4.359 -1.613 396 3HD2 LEU 47 3HD2 LEU 47 -9.807 -2.758 -2.038 397 H CYS 48 H CYS 48 -12.339 -1.290 -6.451 398 HA CYS 48 HA CYS 48 -14.497 -1.362 -4.404 399 1HB CYS 48 2HB CYS 48 -12.454 0.831 -4.760 400 2HB CYS 48 1HB CYS 48 -14.056 1.184 -4.114 401 H LYS 49 H LYS 49 -14.883 -1.982 -7.050 402 HA LYS 49 HA LYS 49 -15.784 0.490 -8.415 403 1HB LYS 49 2HB LYS 49 -16.121 -0.922 -10.350 404 2HB LYS 49 1HB LYS 49 -14.554 -1.327 -9.650 405 1HG LYS 49 2HG LYS 49 -15.736 -3.180 -8.368 406 2HG LYS 49 1HG LYS 49 -17.147 -2.865 -9.379 407 1HD LYS 49 2HD LYS 49 -15.586 -3.159 -11.390 408 2HD LYS 49 1HD LYS 49 -14.416 -3.821 -10.249 409 1HE LYS 49 2HE LYS 49 -15.984 -5.562 -9.580 410 2HE LYS 49 1HE LYS 49 -17.241 -4.862 -10.598 411 1HZ LYS 49 1HZ LYS 49 -16.428 -5.892 -12.367 412 2HZ LYS 49 2HZ LYS 49 -15.387 -6.751 -11.335 413 3HZ LYS 49 3HZ LYS 49 -14.859 -5.317 -12.075 414 H ASN 50 H ASN 50 -17.940 0.997 -8.702 415 HA ASN 50 HA ASN 50 -20.274 0.849 -8.507 416 1HB ASN 50 2HB ASN 50 -20.102 -2.017 -7.626 417 2HB ASN 50 1HB ASN 50 -21.304 -1.231 -8.649 418 1HD2 ASN 50 1HD2 ASN 50 -18.940 0.104 -10.162 419 2HD2 ASN 50 2HD2 ASN 50 -18.402 -1.120 -11.208 420 H ILE 51 H ILE 51 -18.102 0.690 -6.088 421 HA ILE 51 HA ILE 51 -19.699 -0.111 -3.831 422 HB ILE 51 HB ILE 51 -17.333 1.779 -3.997 423 1HG1 ILE 51 2HG1 ILE 51 -16.827 -0.495 -4.773 424 2HG1 ILE 51 1HG1 ILE 51 -16.057 -0.199 -3.216 425 1HG2 ILE 51 1HG2 ILE 51 -17.133 0.986 -1.521 426 2HG2 ILE 51 2HG2 ILE 51 -18.848 0.610 -1.676 427 3HG2 ILE 51 3HG2 ILE 51 -18.281 2.265 -1.911 428 1HD1 ILE 51 1HD1 ILE 51 -18.346 -1.232 -2.297 429 2HD1 ILE 51 2HD1 ILE 51 -17.005 -2.263 -2.789 430 3HD1 ILE 51 3HD1 ILE 51 -18.353 -1.991 -3.889 431 H ARG 52 H ARG 52 -20.138 1.664 -2.052 432 HA ARG 52 HA ARG 52 -21.829 3.724 -3.372 433 1HB ARG 52 2HB ARG 52 -21.765 2.773 -0.492 434 2HB ARG 52 1HB ARG 52 -22.926 3.914 -1.172 435 1HG ARG 52 2HG ARG 52 -23.889 2.261 -2.582 436 2HG ARG 52 1HG ARG 52 -22.543 1.150 -2.327 437 1HD ARG 52 2HD ARG 52 -24.547 0.491 -1.015 438 2HD ARG 52 1HD ARG 52 -23.176 0.879 0.024 439 HE ARG 52 HE ARG 52 -24.370 2.766 0.820 440 1HH1 ARG 52 1HH2 ARG 52 -25.780 1.391 -2.009 441 2HH1 ARG 52 2HH2 ARG 52 -27.218 2.352 -1.921 442 1HH2 ARG 52 1HH1 ARG 52 -26.239 4.031 0.951 443 2HH2 ARG 52 2HH1 ARG 52 -27.478 3.847 -0.246 444 H ASP 53 H ASP 53 -21.305 4.638 -0.229 445 HA ASP 53 HA ASP 53 -19.376 6.745 -1.080 446 1HB ASP 53 2HB ASP 53 -21.014 6.666 1.453 447 2HB ASP 53 1HB ASP 53 -20.238 8.063 0.709 448 H ASN 54 H ASN 54 -18.906 7.300 1.765 449 HA ASN 54 HA ASN 54 -16.424 5.919 2.055 450 1HB ASN 54 2HB ASN 54 -16.475 6.865 4.401 451 2HB ASN 54 1HB ASN 54 -16.700 8.058 3.122 452 1HD2 ASN 54 1HD2 ASN 54 -18.409 6.224 5.649 453 2HD2 ASN 54 2HD2 ASN 54 -19.799 7.199 5.653 454 H THR 55 H THR 55 -16.367 3.748 2.330 455 HA THR 55 HA THR 55 -17.712 2.605 4.700 456 HB THR 55 HB THR 55 -17.977 0.968 2.220 457 HG1 THR 55 1HG THR 55 -18.768 3.428 2.169 458 1HG2 THR 55 1HG2 THR 55 -20.061 0.302 3.310 459 2HG2 THR 55 2HG2 THR 55 -19.858 1.566 4.523 460 3HG2 THR 55 3HG2 THR 55 -18.733 0.209 4.466 461 H ASP 56 H ASP 56 -16.812 0.414 5.184 462 HA ASP 56 HA ASP 56 -13.945 0.342 4.484 463 1HB ASP 56 2HB ASP 56 -15.532 -1.438 6.357 464 2HB ASP 56 1HB ASP 56 -13.774 -1.341 6.247 465 H VAL 57 H VAL 57 -12.931 -1.415 3.446 466 HA VAL 57 HA VAL 57 -14.744 -3.481 2.262 467 HB VAL 57 HB VAL 57 -13.871 -3.189 0.119 468 1HG1 VAL 57 1HG1 VAL 57 -14.133 -0.892 -0.407 469 2HG1 VAL 57 2HG1 VAL 57 -13.499 -0.376 1.155 470 3HG1 VAL 57 3HG1 VAL 57 -15.093 -1.123 1.054 471 1HG2 VAL 57 1HG2 VAL 57 -11.547 -3.369 0.382 472 2HG2 VAL 57 2HG2 VAL 57 -11.482 -2.065 1.565 473 3HG2 VAL 57 3HG2 VAL 57 -11.724 -1.693 -0.141 474 H LEU 58 H LEU 58 -13.449 -5.424 1.502 475 HA LEU 58 HA LEU 58 -10.920 -5.802 3.044 476 1HB LEU 58 2HB LEU 58 -13.337 -6.754 3.950 477 2HB LEU 58 1HB LEU 58 -12.771 -8.122 2.998 478 HG LEU 58 HG LEU 58 -12.042 -8.320 5.336 479 1HD1 LEU 58 1HD1 LEU 58 -9.593 -7.605 3.735 480 2HD1 LEU 58 2HD1 LEU 58 -10.595 -8.990 3.296 481 3HD1 LEU 58 3HD1 LEU 58 -9.823 -8.928 4.879 482 1HD2 LEU 58 1HD2 LEU 58 -11.796 -5.595 5.303 483 2HD2 LEU 58 2HD2 LEU 58 -10.108 -6.083 5.150 484 3HD2 LEU 58 3HD2 LEU 58 -11.065 -6.636 6.522 485 H SER 59 H SER 59 -9.370 -6.917 1.837 486 HA SER 59 HA SER 59 -9.764 -7.390 -0.916 487 1HB SER 59 2HB SER 59 -7.627 -7.713 0.924 488 2HB SER 59 1HB SER 59 -7.776 -9.219 0.024 489 HG SER 59 HG SER 59 -7.629 -6.600 -1.067 490 H ARG 60 H ARG 60 -9.607 -9.600 -2.005 491 HA ARG 60 HA ARG 60 -11.876 -11.166 -1.190 492 1HB ARG 60 2HB ARG 60 -9.685 -11.700 -3.213 493 2HB ARG 60 1HB ARG 60 -11.114 -12.716 -3.018 494 1HG ARG 60 2HG ARG 60 -12.582 -10.947 -3.661 495 2HG ARG 60 1HG ARG 60 -11.302 -9.740 -3.521 496 1HD ARG 60 2HD ARG 60 -10.182 -10.543 -5.456 497 2HD ARG 60 1HD ARG 60 -11.110 -12.043 -5.466 498 HE ARG 60 HE ARG 60 -12.760 -9.651 -5.781 499 1HH1 ARG 60 1HH2 ARG 60 -10.812 -12.071 -7.274 500 2HH1 ARG 60 2HH2 ARG 60 -11.582 -11.927 -8.819 501 1HH2 ARG 60 1HH1 ARG 60 -13.776 -9.447 -7.789 502 2HH2 ARG 60 2HH1 ARG 60 -13.261 -10.441 -9.111 503 H ASP 61 H ASP 61 -8.376 -11.928 -1.224 504 HA ASP 61 HA ASP 61 -8.863 -13.765 1.070 505 1HB ASP 61 2HB ASP 61 -7.450 -14.525 -1.503 506 2HB ASP 61 1HB ASP 61 -7.435 -15.498 -0.031 507 H ALA 62 H ALA 62 -6.131 -12.912 -1.099 508 HA ALA 62 HA ALA 62 -4.747 -11.712 1.229 509 1HB ALA 62 1HB ALA 62 -3.331 -13.792 -0.438 510 2HB ALA 62 2HB ALA 62 -4.212 -14.227 1.027 511 3HB ALA 62 3HB ALA 62 -2.844 -13.117 1.117 512 H PHE 63 H PHE 63 -2.693 -10.616 0.524 513 HA PHE 63 HA PHE 63 -2.510 -10.023 -2.368 514 1HB PHE 63 2HB PHE 63 -3.567 -8.156 -0.313 515 2HB PHE 63 1HB PHE 63 -2.352 -7.473 -1.394 516 HD1 PHE 63 1HD PHE 63 -5.605 -9.292 -1.315 517 HD2 PHE 63 2HD PHE 63 -2.871 -6.940 -3.650 518 HE1 PHE 63 1HE PHE 63 -7.308 -9.088 -3.107 519 HE2 PHE 63 2HE PHE 63 -4.575 -6.736 -5.440 520 HZ PHE 63 HZ PHE 63 -6.794 -7.810 -5.169 521 H LEU 64 H LEU 64 -0.395 -9.718 -2.931 522 HA LEU 64 HA LEU 64 1.642 -10.001 -0.858 523 1HB LEU 64 2HB LEU 64 1.672 -10.961 -3.265 524 2HB LEU 64 1HB LEU 64 2.161 -9.343 -3.760 525 HG LEU 64 HG LEU 64 3.613 -10.837 -1.566 526 1HD1 LEU 64 1HD1 LEU 64 5.262 -11.490 -3.315 527 2HD1 LEU 64 2HD1 LEU 64 4.160 -10.877 -4.548 528 3HD1 LEU 64 3HD1 LEU 64 3.690 -12.255 -3.553 529 1HD2 LEU 64 1HD2 LEU 64 4.236 -8.556 -1.557 530 2HD2 LEU 64 2HD2 LEU 64 4.157 -8.432 -3.315 531 3HD2 LEU 64 3HD2 LEU 64 5.481 -9.310 -2.550 532 H LEU 65 H LEU 65 2.227 -8.222 0.327 533 HA LEU 65 HA LEU 65 2.470 -5.641 -1.156 534 1HB LEU 65 2HB LEU 65 2.299 -5.069 1.612 535 2HB LEU 65 1HB LEU 65 1.125 -4.691 0.367 536 HG LEU 65 HG LEU 65 1.168 -7.427 1.600 537 1HD1 LEU 65 1HD1 LEU 65 -0.514 -6.538 3.228 538 2HD1 LEU 65 2HD1 LEU 65 -0.145 -4.908 2.665 539 3HD1 LEU 65 3HD1 LEU 65 1.097 -5.865 3.473 540 1HD2 LEU 65 1HD2 LEU 65 -0.209 -7.020 -0.418 541 2HD2 LEU 65 2HD2 LEU 65 -0.975 -5.647 0.375 542 3HD2 LEU 65 3HD2 LEU 65 -1.243 -7.278 0.986 543 HA PRO 66 HA PRO 66 6.729 -5.964 0.194 544 1HB PRO 66 2HB PRO 66 7.552 -3.491 -0.642 545 2HB PRO 66 1HB PRO 66 7.311 -4.855 -1.749 546 1HG PRO 66 2HG PRO 66 5.579 -2.509 -1.244 547 2HG PRO 66 1HG PRO 66 5.850 -3.407 -2.740 548 1HD PRO 66 2HD PRO 66 3.611 -3.682 -1.135 549 2HD PRO 66 1HD PRO 66 4.183 -4.900 -2.296 550 H GLN 67 H GLN 67 7.994 -5.072 1.996 551 HA GLN 67 HA GLN 67 6.759 -2.798 3.449 552 1HB GLN 67 2HB GLN 67 7.418 -5.321 4.963 553 2HB GLN 67 1HB GLN 67 6.420 -3.959 5.471 554 1HG GLN 67 2HG GLN 67 4.748 -4.556 3.739 555 2HG GLN 67 1HG GLN 67 5.733 -5.949 3.288 556 1HE2 GLN 67 1HE2 GLN 67 3.796 -4.577 5.959 557 2HE2 GLN 67 2HE2 GLN 67 3.577 -6.051 6.772 558 H CYS 68 H CYS 68 8.292 -1.493 4.298 559 HA CYS 68 HA CYS 68 11.119 -2.433 4.214 560 1HB CYS 68 2HB CYS 68 10.097 0.351 4.807 561 2HB CYS 68 1HB CYS 68 11.723 -0.111 4.309 562 H ASP 69 H ASP 69 12.362 -2.620 6.067 563 HA ASP 69 HA ASP 69 11.095 -1.823 8.659 564 1HB ASP 69 2HB ASP 69 12.189 -4.509 7.845 565 2HB ASP 69 1HB ASP 69 12.166 -4.023 9.540 566 H ARG 70 H ARG 70 12.472 -0.420 9.622 567 HA ARG 70 HA ARG 70 15.280 -0.252 8.884 568 1HB ARG 70 2HB ARG 70 13.640 1.608 9.791 569 2HB ARG 70 1HB ARG 70 14.172 1.027 11.368 570 1HG ARG 70 2HG ARG 70 16.568 1.280 10.458 571 2HG ARG 70 1HG ARG 70 15.843 2.223 9.156 572 1HD ARG 70 2HD ARG 70 16.488 3.799 10.840 573 2HD ARG 70 1HD ARG 70 14.737 3.638 10.962 574 HE ARG 70 HE ARG 70 15.029 2.657 13.092 575 1HH1 ARG 70 1HH2 ARG 70 17.953 2.725 11.265 576 2HH1 ARG 70 2HH2 ARG 70 18.944 2.194 12.582 577 1HH2 ARG 70 1HH1 ARG 70 16.307 1.965 14.822 578 2HH2 ARG 70 2HH1 ARG 70 18.013 1.763 14.596 579 H ILE 71 H ILE 71 17.083 -0.683 10.307 580 HA ILE 71 HA ILE 71 16.746 -1.942 12.878 581 HB ILE 71 HB ILE 71 15.928 -3.810 11.501 582 1HG1 ILE 71 2HG1 ILE 71 18.755 -4.377 12.441 583 2HG1 ILE 71 1HG1 ILE 71 17.384 -4.201 13.537 584 1HG2 ILE 71 1HG2 ILE 71 18.659 -3.838 10.199 585 2HG2 ILE 71 2HG2 ILE 71 17.268 -3.046 9.460 586 3HG2 ILE 71 3HG2 ILE 71 17.239 -4.785 9.757 587 1HD1 ILE 71 1HD1 ILE 71 17.712 -6.568 13.063 588 2HD1 ILE 71 2HD1 ILE 71 17.670 -6.257 11.327 589 3HD1 ILE 71 3HD1 ILE 71 16.215 -6.032 12.299 590 H LYS 72 H LYS 72 18.800 -1.628 9.989 591 HA LYS 72 HA LYS 72 21.156 -1.319 11.821 592 1HB LYS 72 2HB LYS 72 20.923 -3.256 9.967 593 2HB LYS 72 1HB LYS 72 21.554 -1.978 8.933 594 1HG LYS 72 2HG LYS 72 23.352 -1.640 10.758 595 2HG LYS 72 1HG LYS 72 22.824 -3.197 11.390 596 1HD LYS 72 2HD LYS 72 23.573 -2.870 8.481 597 2HD LYS 72 1HD LYS 72 24.794 -3.194 9.711 598 1HE LYS 72 2HE LYS 72 23.532 -5.213 10.408 599 2HE LYS 72 1HE LYS 72 22.357 -4.902 9.130 600 1HZ LYS 72 1HZ LYS 72 24.172 -6.520 8.571 601 2HZ LYS 72 2HZ LYS 72 25.257 -5.212 8.606 602 3HZ LYS 72 3HZ LYS 72 23.985 -5.234 7.479 603 H LEU 73 H LEU 73 22.914 0.094 10.705 604 HA LEU 73 HA LEU 73 23.452 2.298 10.109 605 1HB LEU 73 2HB LEU 73 21.701 1.219 7.911 606 2HB LEU 73 1HB LEU 73 22.373 2.835 7.787 607 HG LEU 73 HG LEU 73 23.733 0.943 6.733 608 1HD1 LEU 73 1HD1 LEU 73 25.773 2.019 7.192 609 2HD1 LEU 73 2HD1 LEU 73 25.306 2.401 8.848 610 3HD1 LEU 73 3HD1 LEU 73 24.575 3.274 7.501 611 1HD2 LEU 73 1HD2 LEU 73 25.038 -0.471 8.155 612 2HD2 LEU 73 2HD2 LEU 73 23.371 -0.598 8.704 613 3HD2 LEU 73 3HD2 LEU 73 24.519 0.393 9.600 614 HA PRO 74 HA PRO 74 20.201 5.072 11.310 615 1HB PRO 74 2HB PRO 74 20.943 7.335 9.729 616 2HB PRO 74 1HB PRO 74 21.487 6.947 11.369 617 1HG PRO 74 2HG PRO 74 23.079 6.966 9.086 618 2HG PRO 74 1HG PRO 74 23.489 6.212 10.634 619 1HD PRO 74 2HD PRO 74 22.443 4.943 8.135 620 2HD PRO 74 1HD PRO 74 23.582 4.295 9.339 621 H CYS 75 H CYS 75 20.620 5.145 7.771 622 HA CYS 75 HA CYS 75 17.649 5.463 7.529 623 1HB CYS 75 2HB CYS 75 19.042 7.514 6.893 624 2HB CYS 75 1HB CYS 75 19.647 6.555 5.543 625 H HIS 76 H HIS 76 18.264 2.959 7.597 626 HA HIS 76 HA HIS 76 18.279 2.079 4.749 627 1HB HIS 76 2HB HIS 76 20.573 1.799 5.932 628 2HB HIS 76 1HB HIS 76 19.777 0.531 6.865 629 HD1 HIS 76 1HD HIS 76 18.798 1.076 3.294 630 HD2 HIS 76 2HD HIS 76 21.238 -1.512 5.474 631 HE1 HIS 76 1HE HIS 76 19.419 -0.816 1.726 632 HE2 HIS 76 2HE HIS 76 20.904 -2.397 3.044 633 H TYR 77 H TYR 77 17.032 0.155 4.410 634 HA TYR 77 HA TYR 77 15.612 -0.909 6.810 635 1HB TYR 77 2HB TYR 77 14.026 -0.530 4.310 636 2HB TYR 77 1HB TYR 77 13.499 -0.475 5.991 637 HD1 TYR 77 1HD TYR 77 13.534 1.569 7.250 638 HD2 TYR 77 2HD TYR 77 15.239 1.410 3.310 639 HE1 TYR 77 1HE TYR 77 13.695 4.044 7.218 640 HE2 TYR 77 2HE TYR 77 15.400 3.886 3.281 641 HH TYR 77 HH TYR 77 15.573 5.737 5.157 642 H LYS 78 H LYS 78 14.445 -2.968 6.288 643 HA LYS 78 HA LYS 78 16.037 -4.559 4.320 644 1HB LYS 78 2HB LYS 78 14.582 -5.284 6.869 645 2HB LYS 78 1HB LYS 78 15.058 -6.513 5.698 646 1HG LYS 78 2HG LYS 78 17.118 -4.523 6.594 647 2HG LYS 78 1HG LYS 78 16.684 -5.834 7.690 648 1HD LYS 78 2HD LYS 78 17.350 -7.503 6.129 649 2HD LYS 78 1HD LYS 78 17.425 -6.342 4.803 650 1HE LYS 78 2HE LYS 78 19.674 -7.011 5.785 651 2HE LYS 78 1HE LYS 78 19.363 -5.276 5.729 652 1HZ LYS 78 1HZ LYS 78 19.008 -5.174 7.985 653 2HZ LYS 78 2HZ LYS 78 20.235 -6.346 7.897 654 3HZ LYS 78 3HZ LYS 78 18.619 -6.819 8.121 655 H LEU 79 H LEU 79 14.872 -6.046 2.954 656 HA LEU 79 HA LEU 79 12.178 -5.063 2.258 657 1HB LEU 79 2HB LEU 79 13.701 -5.402 0.412 658 2HB LEU 79 1HB LEU 79 14.052 -7.047 0.939 659 HG LEU 79 HG LEU 79 11.785 -7.755 0.446 660 1HD1 LEU 79 1HD1 LEU 79 10.284 -5.974 -0.719 661 2HD1 LEU 79 2HD1 LEU 79 11.340 -4.796 0.059 662 3HD1 LEU 79 3HD1 LEU 79 10.412 -5.931 1.037 663 1HD2 LEU 79 1HD2 LEU 79 11.829 -7.571 -1.933 664 2HD2 LEU 79 2HD2 LEU 79 13.515 -7.479 -1.424 665 3HD2 LEU 79 3HD2 LEU 79 12.648 -6.010 -1.870 666 H SER 80 H SER 80 10.379 -6.052 2.996 667 HA SER 80 HA SER 80 10.401 -8.979 3.478 668 1HB SER 80 2HB SER 80 10.861 -8.270 5.691 669 2HB SER 80 1HB SER 80 9.822 -6.855 5.545 670 HG SER 80 HG SER 80 8.171 -8.045 6.073 671 H SER 81 H SER 81 8.627 -9.759 2.431 672 HA SER 81 HA SER 81 6.157 -8.070 2.391 673 1HB SER 81 2HB SER 81 5.884 -8.298 0.088 674 2HB SER 81 1HB SER 81 7.633 -8.138 0.209 675 HG SER 81 HG SER 81 6.308 -10.639 0.293 676 H SER 82 H SER 82 4.188 -9.350 1.972 677 HA SER 82 HA SER 82 4.333 -12.262 2.118 678 1HB SER 82 2HB SER 82 4.715 -11.777 4.476 679 2HB SER 82 1HB SER 82 3.356 -10.659 4.503 680 HG SER 82 HG SER 82 3.283 -13.193 5.033 681 H THR 83 H THR 83 2.077 -13.190 2.188 682 HA THR 83 HA THR 83 0.255 -11.376 0.707 683 HB THR 83 HB THR 83 -0.750 -13.903 0.443 684 HG1 THR 83 1HG THR 83 1.794 -14.591 -0.020 685 1HG2 THR 83 1HG2 THR 83 0.438 -13.920 -1.739 686 2HG2 THR 83 2HG2 THR 83 1.451 -12.594 -1.167 687 3HG2 THR 83 3HG2 THR 83 -0.282 -12.348 -1.388 688 H ASN 84 H ASN 84 -1.449 -10.596 1.822 689 HA ASN 84 HA ASN 84 -2.997 -12.320 3.607 690 1HB ASN 84 2HB ASN 84 -2.765 -10.832 5.581 691 2HB ASN 84 1HB ASN 84 -1.226 -11.577 5.145 692 1HD2 ASN 84 1HD2 ASN 84 -2.048 -8.814 6.404 693 2HD2 ASN 84 2HD2 ASN 84 -1.127 -7.705 5.509 694 H THR 85 H THR 85 -5.091 -11.382 4.045 695 HA THR 85 HA THR 85 -6.032 -9.585 2.028 696 HB THR 85 HB THR 85 -7.716 -9.679 4.420 697 HG1 THR 85 1HG THR 85 -6.879 -12.135 3.284 698 1HG2 THR 85 1HG2 THR 85 -8.618 -9.258 2.210 699 2HG2 THR 85 2HG2 THR 85 -9.254 -10.796 2.783 700 3HG2 THR 85 3HG2 THR 85 -7.947 -10.770 1.602 701 H ILE 86 H ILE 86 -6.998 -7.417 2.469 702 HA ILE 86 HA ILE 86 -5.775 -6.005 4.790 703 HB ILE 86 HB ILE 86 -4.532 -4.567 3.510 704 1HG1 ILE 86 2HG1 ILE 86 -6.749 -4.793 1.446 705 2HG1 ILE 86 1HG1 ILE 86 -6.374 -3.410 2.475 706 1HG2 ILE 86 1HG2 ILE 86 -3.928 -6.889 2.753 707 2HG2 ILE 86 2HG2 ILE 86 -3.578 -5.644 1.558 708 3HG2 ILE 86 3HG2 ILE 86 -5.004 -6.668 1.374 709 1HD1 ILE 86 1HD1 ILE 86 -4.792 -4.474 0.136 710 2HD1 ILE 86 2HD1 ILE 86 -4.080 -3.381 1.324 711 3HD1 ILE 86 3HD1 ILE 86 -5.459 -2.856 0.358 712 H CYS 87 H CYS 87 -6.971 -4.148 5.457 713 HA CYS 87 HA CYS 87 -9.699 -3.965 4.243 714 1HB CYS 87 2HB CYS 87 -9.358 -4.642 6.730 715 2HB CYS 87 1HB CYS 87 -8.944 -2.952 6.983 716 H ILE 88 H ILE 88 -10.279 -2.004 3.353 717 HA ILE 88 HA ILE 88 -8.808 0.427 4.149 718 HB ILE 88 HB ILE 88 -7.357 0.130 2.408 719 1HG1 ILE 88 2HG1 ILE 88 -9.642 0.750 0.544 720 2HG1 ILE 88 1HG1 ILE 88 -9.098 1.947 1.713 721 1HG2 ILE 88 1HG2 ILE 88 -7.695 -1.365 0.539 722 2HG2 ILE 88 2HG2 ILE 88 -9.413 -1.496 0.898 723 3HG2 ILE 88 3HG2 ILE 88 -8.228 -2.185 2.003 724 1HD1 ILE 88 1HD1 ILE 88 -7.521 0.708 -0.542 725 2HD1 ILE 88 2HD1 ILE 88 -6.730 1.529 0.802 726 3HD1 ILE 88 3HD1 ILE 88 -7.837 2.417 -0.241 727 H THR 89 H THR 89 -9.965 2.368 3.539 728 HA THR 89 HA THR 89 -12.847 1.810 3.070 729 HB THR 89 HB THR 89 -11.307 3.868 4.532 730 HG1 THR 89 1HG THR 89 -13.989 3.114 4.876 731 1HG2 THR 89 1HG2 THR 89 -12.257 5.390 2.940 732 2HG2 THR 89 2HG2 THR 89 -13.285 5.462 4.370 733 3HG2 THR 89 3HG2 THR 89 -13.804 4.542 2.959 734 H CYS 90 H CYS 90 -13.923 2.547 1.319 735 HA CYS 90 HA CYS 90 -12.420 4.190 -0.684 736 1HB CYS 90 2HB CYS 90 -14.472 2.000 -1.162 737 2HB CYS 90 1HB CYS 90 -13.751 3.002 -2.422 738 H VAL 91 H VAL 91 -14.167 5.230 -2.256 739 HA VAL 91 HA VAL 91 -16.562 6.085 -0.708 740 HB VAL 91 HB VAL 91 -14.708 7.971 -2.182 741 1HG1 VAL 91 1HG1 VAL 91 -16.126 9.617 -0.734 742 2HG1 VAL 91 2HG1 VAL 91 -17.270 8.281 -0.620 743 3HG1 VAL 91 3HG1 VAL 91 -16.852 8.952 -2.195 744 1HG2 VAL 91 1HG2 VAL 91 -15.040 7.375 0.770 745 2HG2 VAL 91 2HG2 VAL 91 -14.183 8.782 0.143 746 3HG2 VAL 91 3HG2 VAL 91 -13.583 7.160 -0.201 747 H ASN 92 H ASN 92 -15.972 7.965 -3.403 748 HA ASN 92 HA ASN 92 -18.206 6.866 -4.864 749 1HB ASN 92 2HB ASN 92 -16.107 8.949 -5.474 750 2HB ASN 92 1HB ASN 92 -17.274 8.447 -6.697 751 1HD2 ASN 92 1HD2 ASN 92 -19.518 9.049 -6.390 752 2HD2 ASN 92 2HD2 ASN 92 -19.998 10.145 -5.186 753 H GLN 93 H GLN 93 -16.261 4.880 -4.360 754 HA GLN 93 HA GLN 93 -15.393 3.045 -5.528 755 1HB GLN 93 2HB GLN 93 -15.762 4.545 -8.126 756 2HB GLN 93 1HB GLN 93 -15.707 2.806 -7.864 757 1HG GLN 93 2HG GLN 93 -17.964 2.822 -7.763 758 2HG GLN 93 1HG GLN 93 -17.830 3.696 -6.240 759 1HE2 GLN 93 1HE2 GLN 93 -17.491 4.526 -9.749 760 2HE2 GLN 93 2HE2 GLN 93 -18.420 5.943 -9.648 761 H LEU 94 H LEU 94 -13.723 4.740 -4.344 762 HA LEU 94 HA LEU 94 -11.331 4.624 -6.046 763 1HB LEU 94 2HB LEU 94 -12.815 7.040 -5.849 764 2HB LEU 94 1HB LEU 94 -11.392 7.256 -4.837 765 HG LEU 94 HG LEU 94 -10.009 6.396 -6.797 766 1HD1 LEU 94 1HD1 LEU 94 -11.482 5.320 -8.251 767 2HD1 LEU 94 2HD1 LEU 94 -11.308 6.888 -9.033 768 3HD1 LEU 94 3HD1 LEU 94 -12.736 6.546 -8.058 769 1HD2 LEU 94 1HD2 LEU 94 -9.969 8.564 -7.879 770 2HD2 LEU 94 2HD2 LEU 94 -10.294 8.820 -6.165 771 3HD2 LEU 94 3HD2 LEU 94 -11.609 8.914 -7.335 772 HA PRO 95 HA PRO 95 -10.494 3.462 -1.677 773 1HB PRO 95 2HB PRO 95 -7.942 2.514 -2.849 774 2HB PRO 95 1HB PRO 95 -9.143 1.626 -1.894 775 1HG PRO 95 2HG PRO 95 -8.808 1.233 -4.533 776 2HG PRO 95 1HG PRO 95 -10.370 1.043 -3.720 777 1HD PRO 95 2HD PRO 95 -9.421 3.266 -5.479 778 2HD PRO 95 1HD PRO 95 -11.059 2.606 -5.267 779 H ILE 96 H ILE 96 -9.602 4.900 -0.216 780 HA ILE 96 HA ILE 96 -7.088 6.297 -0.973 781 HB ILE 96 HB ILE 96 -7.985 8.484 -0.332 782 1HG1 ILE 96 2HG1 ILE 96 -10.593 8.556 -0.178 783 2HG1 ILE 96 1HG1 ILE 96 -10.463 6.843 0.212 784 1HG2 ILE 96 1HG2 ILE 96 -9.967 7.360 -2.292 785 2HG2 ILE 96 2HG2 ILE 96 -8.257 7.418 -2.703 786 3HG2 ILE 96 3HG2 ILE 96 -9.123 8.905 -2.329 787 1HD1 ILE 96 1HD1 ILE 96 -9.666 7.261 2.294 788 2HD1 ILE 96 2HD1 ILE 96 -10.315 8.879 2.050 789 3HD1 ILE 96 3HD1 ILE 96 -8.609 8.558 1.745 790 H HIS 97 H HIS 97 -8.880 4.666 1.436 791 HA HIS 97 HA HIS 97 -7.095 5.900 3.518 792 1HB HIS 97 2HB HIS 97 -9.976 5.354 3.511 793 2HB HIS 97 1HB HIS 97 -9.162 4.673 4.917 794 HD1 HIS 97 1HD HIS 97 -7.036 6.761 5.492 795 HD2 HIS 97 2HD HIS 97 -10.949 7.771 4.458 796 HE1 HIS 97 1HE HIS 97 -7.425 9.109 6.362 797 HE2 HIS 97 2HE HIS 97 -9.804 9.733 5.738 798 H PHE 98 H PHE 98 -5.595 4.549 4.296 799 HA PHE 98 HA PHE 98 -5.840 1.642 3.799 800 1HB PHE 98 2HB PHE 98 -3.690 3.301 3.662 801 2HB PHE 98 1HB PHE 98 -3.521 2.743 5.323 802 HD1 PHE 98 1HD PHE 98 -4.729 -0.037 4.965 803 HD2 PHE 98 2HD PHE 98 -1.865 2.167 2.641 804 HE1 PHE 98 1HE PHE 98 -3.759 -2.163 4.142 805 HE2 PHE 98 2HE PHE 98 -0.896 0.038 1.818 806 HZ PHE 98 HZ PHE 98 -1.843 -2.128 2.569 807 H ALA 99 H ALA 99 -7.148 0.672 5.321 808 HA ALA 99 HA ALA 99 -7.595 1.589 7.964 809 1HB ALA 99 1HB ALA 99 -8.717 -0.448 8.326 810 2HB ALA 99 2HB ALA 99 -7.635 -1.335 7.256 811 3HB ALA 99 3HB ALA 99 -8.837 -0.237 6.579 812 H GLY 100 H GLY 100 -5.891 -1.483 7.350 813 1HA GLY 100 2HA GLY 100 -3.503 -0.632 8.786 814 2HA GLY 100 1HA GLY 100 -4.534 -1.685 9.755 815 H VAL 101 H VAL 101 -4.121 -3.827 9.561 816 HA VAL 101 HA VAL 101 -3.053 -4.852 6.966 817 HB VAL 101 HB VAL 101 -1.145 -4.589 8.491 818 1HG1 VAL 101 1HG1 VAL 101 -1.087 -5.744 10.638 819 2HG1 VAL 101 2HG1 VAL 101 -2.690 -6.419 10.352 820 3HG1 VAL 101 3HG1 VAL 101 -2.495 -4.683 10.593 821 1HG2 VAL 101 1HG2 VAL 101 -1.938 -7.511 8.394 822 2HG2 VAL 101 2HG2 VAL 101 -0.308 -6.838 8.358 823 3HG2 VAL 101 3HG2 VAL 101 -1.383 -6.620 6.977 824 H GLY 102 H GLY 102 -3.436 -7.192 6.703 825 1HA GLY 102 2HA GLY 102 -4.822 -9.080 6.820 826 2HA GLY 102 1HA GLY 102 -4.952 -8.752 8.548 827 H SER 103 H SER 103 -7.240 -9.427 8.287 828 HA SER 103 HA SER 103 -9.003 -7.728 6.688 829 1HB SER 103 2HB SER 103 -9.586 -10.078 7.027 830 2HB SER 103 1HB SER 103 -9.596 -9.850 8.773 831 HG SER 103 HG SER 103 -11.543 -9.385 6.987 832 H CYS 104 H CYS 104 -11.141 -7.159 8.240 833 HA CYS 104 HA CYS 104 -10.160 -5.725 10.655 834 1HB CYS 104 2HB CYS 104 -11.378 -3.665 9.906 835 2HB CYS 104 1HB CYS 104 -9.990 -4.058 8.891 836 HA PRO 105 HA PRO 105 -14.410 -7.688 10.962 837 1HB PRO 105 2HB PRO 105 -13.826 -9.572 12.839 838 2HB PRO 105 1HB PRO 105 -13.595 -9.851 11.102 839 1HG PRO 105 2HG PRO 105 -11.587 -9.156 13.189 840 2HG PRO 105 1HG PRO 105 -11.453 -10.277 11.822 841 1HD PRO 105 2HD PRO 105 -10.408 -7.721 11.813 842 2HD PRO 105 1HD PRO 105 -10.872 -8.603 10.342 Start of MODEL 12 1 HN PCA 1 H PCA 1 -6.416 9.036 0.965 2 HA PCA 1 HA PCA 1 -7.877 11.110 1.727 3 1HB PCA 1 1HB PCA 1 -6.493 12.549 2.812 4 2HB PCA 1 2HB PCA 1 -5.863 12.996 1.245 5 1HG PCA 1 1HG PCA 1 -4.534 11.736 3.188 6 2HG PCA 1 2HG PCA 1 -4.134 11.690 1.456 7 H ASP 2 H ASP 2 -6.053 9.828 -0.740 8 HA ASP 2 HA ASP 2 -7.779 10.945 -2.755 9 1HB ASP 2 2HB ASP 2 -5.096 12.199 -2.297 10 2HB ASP 2 1HB ASP 2 -5.619 11.969 -3.965 11 H TRP 3 H TRP 3 -7.963 9.184 -4.044 12 HA TRP 3 HA TRP 3 -6.436 6.889 -4.018 13 1HB TRP 3 2HB TRP 3 -8.436 6.798 -5.247 14 2HB TRP 3 1HB TRP 3 -8.004 8.193 -6.229 15 HD1 TRP 3 HD TRP 3 -7.718 7.400 -8.591 16 HE1 TRP 3 1HE TRP 3 -6.510 5.457 -9.774 17 HE3 TRP 3 3HE TRP 3 -6.044 4.768 -4.526 18 HZ2 TRP 3 2HZ TRP 3 -5.043 3.107 -9.100 19 HZ3 TRP 3 3HZ TRP 3 -4.753 2.682 -4.838 20 HH2 TRP 3 HH TRP 3 -4.250 1.848 -7.117 21 H GLU 4 H GLU 4 -5.581 9.939 -5.469 22 HA GLU 4 HA GLU 4 -3.507 8.965 -7.213 23 1HB GLU 4 2HB GLU 4 -3.785 11.652 -5.826 24 2HB GLU 4 1HB GLU 4 -2.677 11.302 -7.152 25 1HG GLU 4 2HG GLU 4 -4.673 10.624 -8.536 26 2HG GLU 4 1HG GLU 4 -5.703 11.221 -7.236 27 H THR 5 H THR 5 -2.732 11.041 -4.436 28 HA THR 5 HA THR 5 -0.178 10.009 -3.952 29 HB THR 5 HB THR 5 -1.067 11.995 -2.803 30 HG1 THR 5 1HG THR 5 -0.149 11.526 -0.807 31 1HG2 THR 5 1HG2 THR 5 -2.550 10.192 -0.913 32 2HG2 THR 5 2HG2 THR 5 -3.332 10.746 -2.393 33 3HG2 THR 5 3HG2 THR 5 -2.771 11.918 -1.201 34 H PHE 6 H PHE 6 -3.244 8.955 -2.479 35 HA PHE 6 HA PHE 6 -2.307 6.886 -0.847 36 1HB PHE 6 2HB PHE 6 -4.726 7.710 -1.235 37 2HB PHE 6 1HB PHE 6 -4.755 6.585 -2.589 38 HD1 PHE 6 1HD PHE 6 -4.243 6.835 1.089 39 HD2 PHE 6 2HD PHE 6 -5.015 4.247 -2.250 40 HE1 PHE 6 1HE PHE 6 -4.732 4.973 2.644 41 HE2 PHE 6 2HE PHE 6 -5.502 2.381 -0.695 42 HZ PHE 6 HZ PHE 6 -5.366 2.744 1.752 43 H GLN 7 H GLN 7 -2.516 7.070 -4.322 44 HA GLN 7 HA GLN 7 -1.907 4.200 -4.647 45 1HB GLN 7 2HB GLN 7 -3.427 5.096 -6.279 46 2HB GLN 7 1HB GLN 7 -2.360 6.453 -6.620 47 1HG GLN 7 2HG GLN 7 -0.739 5.039 -7.666 48 2HG GLN 7 1HG GLN 7 -1.541 3.580 -7.082 49 1HE2 GLN 7 1HE2 GLN 7 -2.957 6.503 -8.637 50 2HE2 GLN 7 2HE2 GLN 7 -3.663 5.657 -9.929 51 H LYS 8 H LYS 8 -0.239 7.221 -4.400 52 HA LYS 8 HA LYS 8 2.147 6.199 -5.810 53 1HB LYS 8 2HB LYS 8 1.829 8.787 -4.272 54 2HB LYS 8 1HB LYS 8 3.071 8.397 -5.465 55 1HG LYS 8 2HG LYS 8 1.011 7.967 -7.051 56 2HG LYS 8 1HG LYS 8 0.152 8.977 -5.894 57 1HD LYS 8 2HD LYS 8 1.746 10.793 -6.221 58 2HD LYS 8 1HD LYS 8 2.720 9.782 -7.288 59 1HE LYS 8 2HE LYS 8 1.029 11.462 -8.356 60 2HE LYS 8 1HE LYS 8 1.120 9.825 -9.003 61 1HZ LYS 8 1HZ LYS 8 -0.800 9.193 -7.840 62 2HZ LYS 8 2HZ LYS 8 -1.171 10.708 -8.513 63 3HZ LYS 8 3HZ LYS 8 -0.781 10.580 -6.864 64 H LYS 9 H LYS 9 1.276 7.106 -2.443 65 HA LYS 9 HA LYS 9 3.917 6.166 -1.532 66 1HB LYS 9 2HB LYS 9 2.903 6.777 0.762 67 2HB LYS 9 1HB LYS 9 3.214 8.087 -0.375 68 1HG LYS 9 2HG LYS 9 0.929 8.286 -0.954 69 2HG LYS 9 1HG LYS 9 0.529 6.712 -0.265 70 1HD LYS 9 2HD LYS 9 1.071 7.584 1.996 71 2HD LYS 9 1HD LYS 9 1.402 9.165 1.290 72 1HE LYS 9 2HE LYS 9 -0.898 9.349 0.506 73 2HE LYS 9 1HE LYS 9 -1.251 7.714 1.069 74 1HZ LYS 9 1HZ LYS 9 -0.220 9.748 2.937 75 2HZ LYS 9 2HZ LYS 9 -1.127 8.351 3.269 76 3HZ LYS 9 3HZ LYS 9 -1.872 9.699 2.553 77 H HIS 10 H HIS 10 0.503 5.121 -1.139 78 HA HIS 10 HA HIS 10 1.379 2.835 0.493 79 1HB HIS 10 2HB HIS 10 -1.361 3.424 -0.649 80 2HB HIS 10 1HB HIS 10 -0.979 2.240 0.597 81 HD1 HIS 10 1HD HIS 10 -2.875 4.076 1.724 82 HD2 HIS 10 2HD HIS 10 1.136 5.192 1.476 83 HE1 HIS 10 1HE HIS 10 -2.546 5.945 3.405 84 HE2 HIS 10 2HE HIS 10 -0.107 6.630 3.262 85 H LEU 11 H LEU 11 1.260 3.409 -2.843 86 HA LEU 11 HA LEU 11 1.171 0.445 -3.332 87 1HB LEU 11 2HB LEU 11 -0.337 2.641 -4.609 88 2HB LEU 11 1HB LEU 11 0.425 1.539 -5.748 89 HG LEU 11 HG LEU 11 -0.618 -0.364 -4.417 90 1HD1 LEU 11 1HD1 LEU 11 -2.703 0.393 -3.139 91 2HD1 LEU 11 2HD1 LEU 11 -2.009 2.014 -3.161 92 3HD1 LEU 11 3HD1 LEU 11 -1.162 0.703 -2.350 93 1HD2 LEU 11 1HD2 LEU 11 -2.948 0.155 -5.367 94 2HD2 LEU 11 2HD2 LEU 11 -1.606 0.171 -6.510 95 3HD2 LEU 11 3HD2 LEU 11 -2.263 1.690 -5.899 96 H THR 12 H THR 12 2.578 -0.322 -4.983 97 HA THR 12 HA THR 12 4.546 1.661 -6.041 98 HB THR 12 HB THR 12 5.705 0.717 -4.163 99 HG1 THR 12 1HG THR 12 6.774 -1.008 -5.982 100 1HG2 THR 12 1HG2 THR 12 5.169 -1.314 -3.348 101 2HG2 THR 12 2HG2 THR 12 5.788 -2.073 -4.811 102 3HG2 THR 12 3HG2 THR 12 4.099 -1.582 -4.721 103 H ASP 13 H ASP 13 6.146 -0.039 -7.497 104 HA ASP 13 HA ASP 13 4.178 -1.384 -9.317 105 1HB ASP 13 2HB ASP 13 6.757 0.018 -10.074 106 2HB ASP 13 1HB ASP 13 5.599 -0.715 -11.186 107 H THR 14 H THR 14 6.242 -2.342 -7.081 108 HA THR 14 HA THR 14 6.988 -4.740 -8.627 109 HB THR 14 HB THR 14 8.883 -3.176 -9.008 110 HG1 THR 14 1HG THR 14 10.391 -4.694 -7.653 111 1HG2 THR 14 1HG2 THR 14 10.244 -2.427 -7.154 112 2HG2 THR 14 2HG2 THR 14 9.267 -3.346 -6.010 113 3HG2 THR 14 3HG2 THR 14 8.576 -1.950 -6.837 114 H LYS 15 H LYS 15 7.553 -6.524 -7.262 115 HA LYS 15 HA LYS 15 6.292 -6.448 -4.649 116 1HB LYS 15 2HB LYS 15 8.077 -8.601 -5.826 117 2HB LYS 15 1HB LYS 15 6.935 -8.791 -4.497 118 1HG LYS 15 2HG LYS 15 5.057 -8.374 -5.960 119 2HG LYS 15 1HG LYS 15 6.130 -7.939 -7.291 120 1HD LYS 15 2HD LYS 15 7.033 -10.222 -7.337 121 2HD LYS 15 1HD LYS 15 6.007 -10.668 -5.972 122 1HE LYS 15 2HE LYS 15 3.999 -10.133 -7.325 123 2HE LYS 15 1HE LYS 15 5.039 -9.744 -8.694 124 1HZ LYS 15 1HZ LYS 15 5.330 -12.351 -7.374 125 2HZ LYS 15 2HZ LYS 15 5.627 -11.920 -8.991 126 3HZ LYS 15 3HZ LYS 15 4.031 -12.113 -8.440 127 H LYS 16 H LYS 16 9.483 -5.904 -5.851 128 HA LYS 16 HA LYS 16 10.544 -5.894 -3.048 129 1HB LYS 16 2HB LYS 16 12.802 -6.178 -4.158 130 2HB LYS 16 1HB LYS 16 11.729 -7.569 -4.312 131 1HG LYS 16 2HG LYS 16 10.995 -6.521 -6.558 132 2HG LYS 16 1HG LYS 16 12.427 -5.503 -6.403 133 1HD LYS 16 2HD LYS 16 13.740 -7.675 -6.039 134 2HD LYS 16 1HD LYS 16 12.297 -8.513 -6.612 135 1HE LYS 16 2HE LYS 16 12.374 -7.266 -8.718 136 2HE LYS 16 1HE LYS 16 13.769 -6.351 -8.146 137 1HZ LYS 16 1HZ LYS 16 15.130 -8.005 -8.676 138 2HZ LYS 16 2HZ LYS 16 13.833 -8.716 -9.512 139 3HZ LYS 16 3HZ LYS 16 14.162 -9.167 -7.908 140 H VAL 17 H VAL 17 9.387 -3.652 -3.320 141 HA VAL 17 HA VAL 17 10.356 -1.598 -4.965 142 HB VAL 17 HB VAL 17 9.650 -0.032 -3.205 143 1HG1 VAL 17 1HG1 VAL 17 7.369 -0.626 -3.210 144 2HG1 VAL 17 2HG1 VAL 17 7.736 -2.350 -3.183 145 3HG1 VAL 17 3HG1 VAL 17 8.023 -1.413 -4.645 146 1HG2 VAL 17 1HG2 VAL 17 8.741 -1.118 -1.065 147 2HG2 VAL 17 2HG2 VAL 17 10.497 -1.044 -1.214 148 3HG2 VAL 17 3HG2 VAL 17 9.647 -2.556 -1.535 149 H LYS 18 H LYS 18 11.685 0.294 -4.143 150 HA LYS 18 HA LYS 18 14.226 -0.787 -3.048 151 1HB LYS 18 2HB LYS 18 15.069 1.546 -3.795 152 2HB LYS 18 1HB LYS 18 14.641 0.400 -5.066 153 1HG LYS 18 2HG LYS 18 12.430 1.433 -5.294 154 2HG LYS 18 1HG LYS 18 12.791 2.539 -3.970 155 1HD LYS 18 2HD LYS 18 13.267 3.840 -5.868 156 2HD LYS 18 1HD LYS 18 14.854 3.226 -5.410 157 1HE LYS 18 2HE LYS 18 14.758 1.504 -7.096 158 2HE LYS 18 1HE LYS 18 13.069 1.870 -7.449 159 1HZ LYS 18 1HZ LYS 18 13.661 3.958 -8.340 160 2HZ LYS 18 2HZ LYS 18 14.726 2.829 -9.031 161 3HZ LYS 18 3HZ LYS 18 15.255 3.842 -7.775 162 H CYS 19 H CYS 19 12.825 -0.817 -0.983 163 HA CYS 19 HA CYS 19 11.772 1.180 0.474 164 1HB CYS 19 2HB CYS 19 13.791 -0.877 1.351 165 2HB CYS 19 1HB CYS 19 13.038 0.226 2.501 166 H ASP 20 H ASP 20 15.252 0.908 -0.184 167 HA ASP 20 HA ASP 20 16.288 2.846 1.535 168 1HB ASP 20 2HB ASP 20 17.754 1.586 0.071 169 2HB ASP 20 1HB ASP 20 17.008 2.299 -1.359 170 H VAL 21 H VAL 21 14.613 3.321 -1.544 171 HA VAL 21 HA VAL 21 14.615 6.264 -1.059 172 HB VAL 21 HB VAL 21 13.568 5.016 -3.573 173 1HG1 VAL 21 1HG1 VAL 21 15.352 7.428 -3.233 174 2HG1 VAL 21 2HG1 VAL 21 13.611 7.530 -2.974 175 3HG1 VAL 21 3HG1 VAL 21 14.241 7.065 -4.553 176 1HG2 VAL 21 1HG2 VAL 21 15.935 5.077 -4.466 177 2HG2 VAL 21 2HG2 VAL 21 15.634 3.801 -3.286 178 3HG2 VAL 21 3HG2 VAL 21 16.487 5.266 -2.802 179 H GLU 22 H GLU 22 12.542 3.434 -1.516 180 HA GLU 22 HA GLU 22 10.033 4.740 -1.705 181 1HB GLU 22 2HB GLU 22 10.913 2.091 -1.439 182 2HB GLU 22 1HB GLU 22 9.908 2.362 -0.015 183 1HG GLU 22 2HG GLU 22 8.431 1.595 -1.735 184 2HG GLU 22 1HG GLU 22 8.156 3.332 -1.593 185 H MET 23 H MET 23 12.319 4.928 0.691 186 HA MET 23 HA MET 23 10.306 5.884 2.693 187 1HB MET 23 2HB MET 23 12.863 4.325 3.164 188 2HB MET 23 1HB MET 23 11.980 5.152 4.444 189 1HG MET 23 2HG MET 23 9.923 3.792 3.529 190 2HG MET 23 1HG MET 23 11.164 2.753 2.830 191 1HE MET 23 1HE MET 23 9.974 3.573 7.080 192 2HE MET 23 2HE MET 23 9.853 4.614 5.664 193 3HE MET 23 3HE MET 23 11.327 4.619 6.628 194 H ALA 24 H ALA 24 13.720 6.070 1.645 195 HA ALA 24 HA ALA 24 14.240 8.521 3.071 196 1HB ALA 24 1HB ALA 24 15.675 7.509 0.602 197 2HB ALA 24 2HB ALA 24 15.989 6.899 2.226 198 3HB ALA 24 3HB ALA 24 16.312 8.590 1.840 199 H LYS 25 H LYS 25 12.072 8.037 0.723 200 HA LYS 25 HA LYS 25 12.510 9.944 -1.302 201 1HB LYS 25 2HB LYS 25 10.100 8.776 0.020 202 2HB LYS 25 1HB LYS 25 9.844 10.223 -0.947 203 1HG LYS 25 2HG LYS 25 10.240 9.144 -2.916 204 2HG LYS 25 1HG LYS 25 11.544 8.171 -2.241 205 1HD LYS 25 2HD LYS 25 9.759 6.663 -2.764 206 2HD LYS 25 1HD LYS 25 9.771 6.840 -1.009 207 1HE LYS 25 2HE LYS 25 7.477 7.026 -1.751 208 2HE LYS 25 1HE LYS 25 8.018 8.630 -1.255 209 1HZ LYS 25 1HZ LYS 25 7.772 7.578 -4.015 210 2HZ LYS 25 2HZ LYS 25 8.586 9.022 -3.641 211 3HZ LYS 25 3HZ LYS 25 6.925 8.873 -3.320 212 H ALA 26 H ALA 26 10.540 11.884 -1.133 213 HA ALA 26 HA ALA 26 11.614 13.649 1.018 214 1HB ALA 26 1HB ALA 26 11.777 14.388 -1.388 215 2HB ALA 26 2HB ALA 26 10.885 15.505 -0.353 216 3HB ALA 26 3HB ALA 26 10.013 14.421 -1.438 217 H LEU 27 H LEU 27 8.834 11.862 0.095 218 HA LEU 27 HA LEU 27 7.035 13.588 1.725 219 1HB LEU 27 2HB LEU 27 5.209 12.355 0.789 220 2HB LEU 27 1HB LEU 27 6.312 12.706 -0.537 221 HG LEU 27 HG LEU 27 7.300 10.295 0.352 222 1HD1 LEU 27 1HD1 LEU 27 4.288 10.292 0.724 223 2HD1 LEU 27 2HD1 LEU 27 5.512 9.867 1.920 224 3HD1 LEU 27 3HD1 LEU 27 5.245 8.826 0.524 225 1HD2 LEU 27 1HD2 LEU 27 6.986 10.644 -1.966 226 2HD2 LEU 27 2HD2 LEU 27 5.272 11.011 -1.770 227 3HD2 LEU 27 3HD2 LEU 27 5.845 9.353 -1.587 228 H PHE 28 H PHE 28 9.149 11.096 2.222 229 HA PHE 28 HA PHE 28 7.511 9.967 4.469 230 1HB PHE 28 2HB PHE 28 9.569 8.764 2.645 231 2HB PHE 28 1HB PHE 28 9.429 8.139 4.287 232 HD1 PHE 28 1HD PHE 28 8.288 7.695 1.015 233 HD2 PHE 28 2HD PHE 28 6.847 7.821 5.061 234 HE1 PHE 28 1HE PHE 28 6.303 6.366 0.352 235 HE2 PHE 28 2HE PHE 28 4.862 6.493 4.395 236 HZ PHE 28 HZ PHE 28 4.590 5.765 2.041 237 H ASP 29 H ASP 29 10.762 11.056 3.511 238 HA ASP 29 HA ASP 29 12.343 12.233 4.803 239 1HB ASP 29 2HB ASP 29 10.111 12.881 6.124 240 2HB ASP 29 1HB ASP 29 10.815 11.823 7.346 241 H CYS 30 H CYS 30 12.535 9.460 4.290 242 HA CYS 30 HA CYS 30 13.553 7.486 5.089 243 1HB CYS 30 2HB CYS 30 15.468 9.024 4.997 244 2HB CYS 30 1HB CYS 30 15.096 9.602 6.621 245 H LYS 31 H LYS 31 11.246 7.486 6.343 246 HA LYS 31 HA LYS 31 11.258 7.868 9.175 247 1HB LYS 31 2HB LYS 31 9.571 5.718 7.945 248 2HB LYS 31 1HB LYS 31 9.140 6.925 9.152 249 1HG LYS 31 2HG LYS 31 9.833 8.394 6.832 250 2HG LYS 31 1HG LYS 31 8.847 7.052 6.264 251 1HD LYS 31 2HD LYS 31 8.075 8.880 8.551 252 2HD LYS 31 1HD LYS 31 7.535 9.097 6.887 253 1HE LYS 31 2HE LYS 31 6.731 6.622 7.067 254 2HE LYS 31 1HE LYS 31 6.864 6.873 8.808 255 1HZ LYS 31 1HZ LYS 31 5.564 9.083 8.028 256 2HZ LYS 31 2HZ LYS 31 4.803 7.675 8.600 257 3HZ LYS 31 3HZ LYS 31 4.951 7.946 6.929 258 H LYS 32 H LYS 32 10.193 5.046 9.668 259 HA LYS 32 HA LYS 32 12.814 3.600 9.769 260 1HB LYS 32 2HB LYS 32 12.242 2.815 12.028 261 2HB LYS 32 1HB LYS 32 12.298 4.578 11.988 262 1HG LYS 32 2HG LYS 32 9.802 4.567 11.620 263 2HG LYS 32 1HG LYS 32 9.826 2.828 11.911 264 1HD LYS 32 2HD LYS 32 10.830 4.925 13.860 265 2HD LYS 32 1HD LYS 32 9.270 4.110 13.969 266 1HE LYS 32 2HE LYS 32 10.687 1.914 13.880 267 2HE LYS 32 1HE LYS 32 12.027 2.962 14.346 268 1HZ LYS 32 1HZ LYS 32 11.076 2.150 16.327 269 2HZ LYS 32 2HZ LYS 32 9.495 2.495 15.811 270 3HZ LYS 32 3HZ LYS 32 10.562 3.761 16.192 271 H THR 33 H THR 33 9.331 3.488 9.470 272 HA THR 33 HA THR 33 9.565 0.669 8.516 273 HB THR 33 HB THR 33 7.244 1.648 10.195 274 HG1 THR 33 1HG THR 33 8.603 -0.055 11.575 275 1HG2 THR 33 1HG2 THR 33 6.713 -0.707 10.355 276 2HG2 THR 33 2HG2 THR 33 8.218 -1.146 9.547 277 3HG2 THR 33 3HG2 THR 33 6.946 -0.315 8.652 278 H ASN 34 H ASN 34 8.070 0.168 6.822 279 HA ASN 34 HA ASN 34 6.135 2.215 5.983 280 1HB ASN 34 2HB ASN 34 8.525 2.785 5.082 281 2HB ASN 34 1HB ASN 34 8.232 1.454 3.964 282 1HD2 ASN 34 1HD2 ASN 34 5.708 1.661 3.104 283 2HD2 ASN 34 2HD2 ASN 34 5.350 3.200 2.481 284 H THR 35 H THR 35 4.653 1.408 4.424 285 HA THR 35 HA THR 35 5.009 -1.413 3.561 286 HB THR 35 HB THR 35 3.533 -0.952 5.763 287 HG1 THR 35 1HG THR 35 3.828 -2.984 4.994 288 1HG2 THR 35 1HG2 THR 35 1.226 -0.632 5.303 289 2HG2 THR 35 2HG2 THR 35 1.457 -0.868 3.570 290 3HG2 THR 35 3HG2 THR 35 2.051 0.601 4.348 291 H PHE 36 H PHE 36 3.692 -1.961 1.714 292 HA PHE 36 HA PHE 36 2.118 0.198 0.454 293 1HB PHE 36 2HB PHE 36 4.141 -0.979 -1.385 294 2HB PHE 36 1HB PHE 36 3.457 0.638 -1.366 295 HD1 PHE 36 1HD PHE 36 4.849 2.391 -0.729 296 HD2 PHE 36 2HD PHE 36 5.642 -1.553 0.753 297 HE1 PHE 36 1HE PHE 36 6.902 3.222 0.382 298 HE2 PHE 36 2HE PHE 36 7.692 -0.728 1.868 299 HZ PHE 36 HZ PHE 36 8.327 1.661 1.675 300 H ILE 37 H ILE 37 1.355 -0.769 -1.840 301 HA ILE 37 HA ILE 37 0.794 -3.680 -1.416 302 HB ILE 37 HB ILE 37 -1.060 -1.583 -2.567 303 1HG1 ILE 37 2HG1 ILE 37 -1.708 -3.086 -0.068 304 2HG1 ILE 37 1HG1 ILE 37 -0.474 -1.840 0.071 305 1HG2 ILE 37 1HG2 ILE 37 -1.308 -4.557 -2.090 306 2HG2 ILE 37 2HG2 ILE 37 -1.553 -3.672 -3.597 307 3HG2 ILE 37 3HG2 ILE 37 -2.719 -3.516 -2.282 308 1HD1 ILE 37 1HD1 ILE 37 -3.062 -1.271 0.364 309 2HD1 ILE 37 2HD1 ILE 37 -2.984 -1.135 -1.392 310 3HD1 ILE 37 3HD1 ILE 37 -1.947 -0.127 -0.380 311 H TYR 38 H TYR 38 1.258 -4.989 -3.126 312 HA TYR 38 HA TYR 38 2.248 -3.665 -5.604 313 1HB TYR 38 2HB TYR 38 3.679 -5.401 -4.608 314 2HB TYR 38 1HB TYR 38 2.358 -6.564 -4.715 315 HD1 TYR 38 1HD TYR 38 4.098 -4.096 -6.951 316 HD2 TYR 38 2HD TYR 38 2.392 -8.016 -6.534 317 HE1 TYR 38 1HE TYR 38 4.745 -4.626 -9.286 318 HE2 TYR 38 2HE TYR 38 3.040 -8.546 -8.868 319 HH TYR 38 HH TYR 38 5.254 -6.912 -10.576 320 H ALA 39 H ALA 39 0.391 -3.122 -6.776 321 HA ALA 39 HA ALA 39 -1.036 -5.366 -8.012 322 1HB ALA 39 1HB ALA 39 -2.333 -5.061 -5.939 323 2HB ALA 39 2HB ALA 39 -3.281 -4.571 -7.343 324 3HB ALA 39 3HB ALA 39 -2.537 -3.349 -6.312 325 H LEU 40 H LEU 40 -2.283 -4.668 -9.867 326 HA LEU 40 HA LEU 40 -1.209 -2.225 -11.067 327 1HB LEU 40 2HB LEU 40 -1.838 -3.138 -13.083 328 2HB LEU 40 1HB LEU 40 -1.790 -4.610 -12.124 329 HG LEU 40 HG LEU 40 -4.339 -3.898 -11.625 330 1HD1 LEU 40 1HD1 LEU 40 -3.918 -2.975 -14.470 331 2HD1 LEU 40 2HD1 LEU 40 -3.936 -1.845 -13.121 332 3HD1 LEU 40 3HD1 LEU 40 -5.362 -2.814 -13.476 333 1HD2 LEU 40 1HD2 LEU 40 -4.982 -5.413 -13.481 334 2HD2 LEU 40 2HD2 LEU 40 -3.604 -6.045 -12.579 335 3HD2 LEU 40 3HD2 LEU 40 -3.354 -5.275 -14.145 336 HA PRO 41 HA PRO 41 -4.381 0.581 -9.903 337 1HB PRO 41 2HB PRO 41 -4.794 1.917 -12.331 338 2HB PRO 41 1HB PRO 41 -3.536 2.297 -11.142 339 1HG PRO 41 2HG PRO 41 -3.350 0.721 -13.655 340 2HG PRO 41 1HG PRO 41 -2.171 1.818 -12.917 341 1HD PRO 41 2HD PRO 41 -1.885 -0.864 -12.773 342 2HD PRO 41 1HD PRO 41 -1.383 0.197 -11.437 343 H GLY 42 H GLY 42 -5.152 -0.585 -13.224 344 1HA GLY 42 2HA GLY 42 -7.912 -0.233 -13.155 345 2HA GLY 42 1HA GLY 42 -7.148 -1.565 -14.016 346 H ARG 43 H ARG 43 -6.107 -3.042 -11.899 347 HA ARG 43 HA ARG 43 -8.417 -4.469 -10.984 348 1HB ARG 43 2HB ARG 43 -6.092 -5.419 -11.341 349 2HB ARG 43 1HB ARG 43 -5.630 -4.646 -9.824 350 1HG ARG 43 2HG ARG 43 -7.491 -5.874 -8.687 351 2HG ARG 43 1HG ARG 43 -7.803 -6.726 -10.201 352 1HD ARG 43 2HD ARG 43 -5.174 -6.756 -8.689 353 2HD ARG 43 1HD ARG 43 -6.360 -8.060 -8.695 354 HE ARG 43 HE ARG 43 -5.531 -7.322 -11.381 355 1HH1 ARG 43 1HH2 ARG 43 -4.759 -9.085 -8.521 356 2HH1 ARG 43 2HH2 ARG 43 -3.789 -10.258 -9.346 357 1HH2 ARG 43 1HH1 ARG 43 -4.268 -8.844 -12.476 358 2HH2 ARG 43 2HH1 ARG 43 -3.511 -10.122 -11.586 359 H VAL 44 H VAL 44 -6.370 -1.991 -9.513 360 HA VAL 44 HA VAL 44 -7.447 -2.326 -6.843 361 HB VAL 44 HB VAL 44 -5.962 -0.036 -8.161 362 1HG1 VAL 44 1HG1 VAL 44 -6.982 -0.424 -5.347 363 2HG1 VAL 44 2HG1 VAL 44 -7.126 0.996 -6.382 364 3HG1 VAL 44 3HG1 VAL 44 -5.568 0.578 -5.672 365 1HG2 VAL 44 1HG2 VAL 44 -4.970 -1.919 -6.019 366 2HG2 VAL 44 2HG2 VAL 44 -4.029 -0.923 -7.129 367 3HG2 VAL 44 3HG2 VAL 44 -4.870 -2.352 -7.726 368 H LYS 45 H LYS 45 -7.934 0.243 -9.298 369 HA LYS 45 HA LYS 45 -10.140 1.439 -7.886 370 1HB LYS 45 2HB LYS 45 -10.536 2.690 -9.936 371 2HB LYS 45 1HB LYS 45 -8.795 2.587 -9.672 372 1HG LYS 45 2HG LYS 45 -8.855 0.499 -11.164 373 2HG LYS 45 1HG LYS 45 -10.479 1.010 -11.622 374 1HD LYS 45 2HD LYS 45 -7.924 2.606 -11.960 375 2HD LYS 45 1HD LYS 45 -8.897 1.894 -13.247 376 1HE LYS 45 2HE LYS 45 -10.837 3.321 -12.315 377 2HE LYS 45 1HE LYS 45 -9.591 4.211 -11.441 378 1HZ LYS 45 1HZ LYS 45 -9.727 3.811 -14.380 379 2HZ LYS 45 2HZ LYS 45 -8.467 4.605 -13.562 380 3HZ LYS 45 3HZ LYS 45 -10.036 5.257 -13.549 381 H ALA 46 H ALA 46 -9.837 -1.349 -9.876 382 HA ALA 46 HA ALA 46 -12.548 -1.522 -10.830 383 1HB ALA 46 1HB ALA 46 -11.030 -2.924 -11.958 384 2HB ALA 46 2HB ALA 46 -11.896 -4.054 -10.920 385 3HB ALA 46 3HB ALA 46 -10.295 -3.483 -10.456 386 H LEU 47 H LEU 47 -10.890 -3.042 -8.041 387 HA LEU 47 HA LEU 47 -13.155 -4.389 -6.992 388 1HB LEU 47 2HB LEU 47 -10.845 -3.137 -5.474 389 2HB LEU 47 1HB LEU 47 -11.944 -4.359 -4.837 390 HG LEU 47 HG LEU 47 -10.417 -4.869 -7.386 391 1HD1 LEU 47 1HD1 LEU 47 -8.751 -4.201 -5.690 392 2HD1 LEU 47 2HD1 LEU 47 -8.637 -5.923 -6.048 393 3HD1 LEU 47 3HD1 LEU 47 -9.425 -5.381 -4.566 394 1HD2 LEU 47 1HD2 LEU 47 -11.608 -6.597 -5.194 395 2HD2 LEU 47 2HD2 LEU 47 -10.625 -7.230 -6.513 396 3HD2 LEU 47 3HD2 LEU 47 -12.171 -6.456 -6.858 397 H CYS 48 H CYS 48 -12.398 -1.019 -7.079 398 HA CYS 48 HA CYS 48 -14.388 -0.398 -4.959 399 1HB CYS 48 2HB CYS 48 -12.193 1.097 -6.332 400 2HB CYS 48 1HB CYS 48 -13.569 2.037 -5.760 401 H LYS 49 H LYS 49 -15.474 -1.602 -7.275 402 HA LYS 49 HA LYS 49 -16.713 0.692 -8.730 403 1HB LYS 49 2HB LYS 49 -15.874 -0.670 -10.401 404 2HB LYS 49 1HB LYS 49 -16.042 -2.135 -9.438 405 1HG LYS 49 2HG LYS 49 -18.362 -2.291 -9.865 406 2HG LYS 49 1HG LYS 49 -18.453 -0.623 -10.434 407 1HD LYS 49 2HD LYS 49 -17.248 -1.150 -12.442 408 2HD LYS 49 1HD LYS 49 -16.823 -2.752 -11.838 409 1HE LYS 49 2HE LYS 49 -19.105 -3.496 -11.963 410 2HE LYS 49 1HE LYS 49 -19.683 -1.859 -12.277 411 1HZ LYS 49 1HZ LYS 49 -18.024 -3.553 -14.059 412 2HZ LYS 49 2HZ LYS 49 -18.318 -1.903 -14.338 413 3HZ LYS 49 3HZ LYS 49 -19.606 -3.010 -14.335 414 H ASN 50 H ASN 50 -18.966 0.797 -8.907 415 HA ASN 50 HA ASN 50 -21.147 0.658 -8.096 416 1HB ASN 50 2HB ASN 50 -22.138 -1.445 -8.340 417 2HB ASN 50 1HB ASN 50 -20.707 -1.578 -9.360 418 1HD2 ASN 50 1HD2 ASN 50 -21.889 -2.355 -6.055 419 2HD2 ASN 50 2HD2 ASN 50 -20.846 -3.676 -5.828 420 H ILE 51 H ILE 51 -18.734 0.550 -6.008 421 HA ILE 51 HA ILE 51 -20.084 -0.734 -3.748 422 HB ILE 51 HB ILE 51 -18.169 0.476 -2.482 423 1HG1 ILE 51 2HG1 ILE 51 -17.011 0.661 -5.257 424 2HG1 ILE 51 1HG1 ILE 51 -17.801 2.038 -4.489 425 1HG2 ILE 51 1HG2 ILE 51 -16.506 -1.215 -3.406 426 2HG2 ILE 51 2HG2 ILE 51 -17.755 -1.661 -4.568 427 3HG2 ILE 51 3HG2 ILE 51 -18.040 -1.875 -2.841 428 1HD1 ILE 51 1HD1 ILE 51 -16.167 2.241 -2.852 429 2HD1 ILE 51 2HD1 ILE 51 -15.194 1.661 -4.201 430 3HD1 ILE 51 3HD1 ILE 51 -15.710 0.541 -2.945 431 H ARG 52 H ARG 52 -19.599 1.189 -1.714 432 HA ARG 52 HA ARG 52 -21.549 3.333 -2.492 433 1HB ARG 52 2HB ARG 52 -21.187 1.915 0.163 434 2HB ARG 52 1HB ARG 52 -22.261 3.290 -0.098 435 1HG ARG 52 2HG ARG 52 -23.320 1.898 -1.980 436 2HG ARG 52 1HG ARG 52 -22.450 0.524 -1.299 437 1HD ARG 52 2HD ARG 52 -24.608 0.492 -0.275 438 2HD ARG 52 1HD ARG 52 -23.511 1.143 0.943 439 HE ARG 52 HE ARG 52 -24.707 3.166 0.826 440 1HH1 ARG 52 1HH2 ARG 52 -25.174 1.236 -1.992 441 2HH1 ARG 52 2HH2 ARG 52 -26.355 2.298 -2.685 442 1HH2 ARG 52 1HH1 ARG 52 -26.245 4.563 -0.063 443 2HH2 ARG 52 2HH1 ARG 52 -26.961 4.180 -1.593 444 H ASP 53 H ASP 53 -21.361 4.920 -0.261 445 HA ASP 53 HA ASP 53 -19.082 6.537 -0.760 446 1HB ASP 53 2HB ASP 53 -19.717 7.758 1.231 447 2HB ASP 53 1HB ASP 53 -21.187 7.276 0.386 448 H ASN 54 H ASN 54 -18.304 6.980 1.997 449 HA ASN 54 HA ASN 54 -15.961 5.348 2.063 450 1HB ASN 54 2HB ASN 54 -17.152 6.787 4.443 451 2HB ASN 54 1HB ASN 54 -15.453 6.423 4.141 452 1HD2 ASN 54 1HD2 ASN 54 -17.980 8.735 3.566 453 2HD2 ASN 54 2HD2 ASN 54 -17.089 9.771 2.559 454 H THR 55 H THR 55 -16.120 3.191 2.321 455 HA THR 55 HA THR 55 -17.522 2.172 4.745 456 HB THR 55 HB THR 55 -17.792 0.205 2.683 457 HG1 THR 55 1HG THR 55 -19.042 2.615 1.944 458 1HG2 THR 55 1HG2 THR 55 -19.886 2.021 3.910 459 2HG2 THR 55 2HG2 THR 55 -19.253 0.564 4.676 460 3HG2 THR 55 3HG2 THR 55 -20.165 0.444 3.171 461 H ASP 56 H ASP 56 -16.515 0.299 5.622 462 HA ASP 56 HA ASP 56 -13.688 0.039 4.952 463 1HB ASP 56 2HB ASP 56 -15.360 -1.613 6.868 464 2HB ASP 56 1HB ASP 56 -13.599 -1.511 6.831 465 H VAL 57 H VAL 57 -12.995 -1.232 3.316 466 HA VAL 57 HA VAL 57 -14.662 -3.581 2.524 467 HB VAL 57 HB VAL 57 -13.838 -3.357 0.356 468 1HG1 VAL 57 1HG1 VAL 57 -14.100 -1.059 -0.246 469 2HG1 VAL 57 2HG1 VAL 57 -13.530 -0.510 1.331 470 3HG1 VAL 57 3HG1 VAL 57 -15.100 -1.301 1.187 471 1HG2 VAL 57 1HG2 VAL 57 -11.448 -2.079 1.684 472 2HG2 VAL 57 2HG2 VAL 57 -11.729 -1.881 -0.045 473 3HG2 VAL 57 3HG2 VAL 57 -11.496 -3.492 0.631 474 H LEU 58 H LEU 58 -13.380 -5.533 1.842 475 HA LEU 58 HA LEU 58 -10.793 -5.811 3.299 476 1HB LEU 58 2HB LEU 58 -13.181 -6.762 4.320 477 2HB LEU 58 1HB LEU 58 -12.579 -8.166 3.449 478 HG LEU 58 HG LEU 58 -11.820 -8.166 5.795 479 1HD1 LEU 58 1HD1 LEU 58 -9.418 -8.468 5.356 480 2HD1 LEU 58 2HD1 LEU 58 -9.588 -7.637 3.811 481 3HD1 LEU 58 3HD1 LEU 58 -10.392 -9.185 4.075 482 1HD2 LEU 58 1HD2 LEU 58 -10.948 -6.352 6.827 483 2HD2 LEU 58 2HD2 LEU 58 -11.567 -5.425 5.462 484 3HD2 LEU 58 3HD2 LEU 58 -9.892 -5.977 5.469 485 H SER 59 H SER 59 -9.283 -6.983 2.081 486 HA SER 59 HA SER 59 -9.814 -7.601 -0.627 487 1HB SER 59 2HB SER 59 -7.555 -7.691 -0.445 488 2HB SER 59 1HB SER 59 -7.624 -8.132 1.253 489 HG SER 59 HG SER 59 -6.894 -9.938 0.327 490 H ARG 60 H ARG 60 -10.111 -9.682 -1.684 491 HA ARG 60 HA ARG 60 -12.017 -11.342 -0.211 492 1HB ARG 60 2HB ARG 60 -10.942 -11.676 -3.023 493 2HB ARG 60 1HB ARG 60 -12.369 -12.462 -2.347 494 1HG ARG 60 2HG ARG 60 -13.383 -10.216 -1.966 495 2HG ARG 60 1HG ARG 60 -11.985 -9.482 -2.754 496 1HD ARG 60 2HD ARG 60 -12.506 -10.974 -4.762 497 2HD ARG 60 1HD ARG 60 -14.045 -11.326 -3.978 498 HE ARG 60 HE ARG 60 -13.965 -8.570 -3.982 499 1HH1 ARG 60 1HH2 ARG 60 -13.506 -11.053 -6.329 500 2HH1 ARG 60 2HH2 ARG 60 -14.095 -10.099 -7.649 501 1HH2 ARG 60 1HH1 ARG 60 -14.737 -7.310 -5.691 502 2HH2 ARG 60 2HH1 ARG 60 -14.792 -7.979 -7.287 503 H ASP 61 H ASP 61 -8.719 -11.397 -0.189 504 HA ASP 61 HA ASP 61 -8.617 -14.047 0.901 505 1HB ASP 61 2HB ASP 61 -7.101 -14.976 -0.977 506 2HB ASP 61 1HB ASP 61 -8.839 -14.950 -1.273 507 H ALA 62 H ALA 62 -6.062 -12.926 -1.240 508 HA ALA 62 HA ALA 62 -4.625 -11.746 1.070 509 1HB ALA 62 1HB ALA 62 -3.267 -13.804 -0.666 510 2HB ALA 62 2HB ALA 62 -4.120 -14.260 0.807 511 3HB ALA 62 3HB ALA 62 -2.742 -13.165 0.891 512 H PHE 63 H PHE 63 -2.545 -10.713 0.331 513 HA PHE 63 HA PHE 63 -2.401 -10.038 -2.536 514 1HB PHE 63 2HB PHE 63 -3.267 -8.125 -0.386 515 2HB PHE 63 1HB PHE 63 -2.270 -7.518 -1.708 516 HD1 PHE 63 1HD PHE 63 -5.479 -9.184 -0.868 517 HD2 PHE 63 2HD PHE 63 -3.139 -7.291 -3.933 518 HE1 PHE 63 1HE PHE 63 -7.473 -9.103 -2.343 519 HE2 PHE 63 2HE PHE 63 -5.132 -7.211 -5.407 520 HZ PHE 63 HZ PHE 63 -7.298 -8.118 -4.612 521 H LEU 64 H LEU 64 -0.281 -9.711 -3.097 522 HA LEU 64 HA LEU 64 1.755 -10.042 -1.025 523 1HB LEU 64 2HB LEU 64 1.761 -10.956 -3.464 524 2HB LEU 64 1HB LEU 64 2.296 -9.339 -3.913 525 HG LEU 64 HG LEU 64 3.713 -10.831 -1.705 526 1HD1 LEU 64 1HD1 LEU 64 4.113 -11.163 -4.689 527 2HD1 LEU 64 2HD1 LEU 64 3.735 -12.425 -3.516 528 3HD1 LEU 64 3HD1 LEU 64 5.312 -11.635 -3.483 529 1HD2 LEU 64 1HD2 LEU 64 5.638 -9.488 -2.688 530 2HD2 LEU 64 2HD2 LEU 64 4.355 -8.524 -1.962 531 3HD2 LEU 64 3HD2 LEU 64 4.454 -8.683 -3.715 532 H LEU 65 H LEU 65 2.332 -8.275 0.188 533 HA LEU 65 HA LEU 65 2.568 -5.673 -1.265 534 1HB LEU 65 2HB LEU 65 2.384 -5.144 1.513 535 2HB LEU 65 1HB LEU 65 1.220 -4.746 0.267 536 HG LEU 65 HG LEU 65 1.255 -7.503 1.451 537 1HD1 LEU 65 1HD1 LEU 65 -0.019 -4.984 2.559 538 2HD1 LEU 65 2HD1 LEU 65 1.156 -6.022 3.366 539 3HD1 LEU 65 3HD1 LEU 65 -0.477 -6.612 3.057 540 1HD2 LEU 65 1HD2 LEU 65 -0.890 -5.705 0.255 541 2HD2 LEU 65 2HD2 LEU 65 -1.142 -7.358 0.811 542 3HD2 LEU 65 3HD2 LEU 65 -0.102 -7.044 -0.576 543 HA PRO 66 HA PRO 66 6.825 -5.972 0.099 544 1HB PRO 66 2HB PRO 66 7.630 -3.492 -0.732 545 2HB PRO 66 1HB PRO 66 7.413 -4.860 -1.839 546 1HG PRO 66 2HG PRO 66 5.658 -2.527 -1.357 547 2HG PRO 66 1HG PRO 66 5.943 -3.436 -2.845 548 1HD PRO 66 2HD PRO 66 3.698 -3.714 -1.244 549 2HD PRO 66 1HD PRO 66 4.279 -4.930 -2.405 550 H GLN 67 H GLN 67 8.062 -5.076 1.916 551 HA GLN 67 HA GLN 67 6.799 -2.806 3.350 552 1HB GLN 67 2HB GLN 67 7.358 -5.452 4.716 553 2HB GLN 67 1HB GLN 67 6.639 -4.017 5.445 554 1HG GLN 67 2HG GLN 67 4.767 -4.199 3.765 555 2HG GLN 67 1HG GLN 67 5.445 -5.749 3.266 556 1HE2 GLN 67 1HE2 GLN 67 6.245 -6.751 5.824 557 2HE2 GLN 67 2HE2 GLN 67 4.851 -7.021 6.755 558 H CYS 68 H CYS 68 8.296 -1.506 4.272 559 HA CYS 68 HA CYS 68 11.137 -2.387 4.175 560 1HB CYS 68 2HB CYS 68 10.041 0.343 4.884 561 2HB CYS 68 1HB CYS 68 11.687 -0.056 4.394 562 H ASP 69 H ASP 69 12.331 -2.734 6.045 563 HA ASP 69 HA ASP 69 11.017 -2.048 8.652 564 1HB ASP 69 2HB ASP 69 10.824 -4.506 8.008 565 2HB ASP 69 1HB ASP 69 12.579 -4.591 8.161 566 H ARG 70 H ARG 70 12.338 -0.586 9.623 567 HA ARG 70 HA ARG 70 15.206 -0.499 9.024 568 1HB ARG 70 2HB ARG 70 13.921 1.582 9.383 569 2HB ARG 70 1HB ARG 70 13.560 1.072 11.031 570 1HG ARG 70 2HG ARG 70 16.438 1.007 10.341 571 2HG ARG 70 1HG ARG 70 15.724 2.618 10.322 572 1HD ARG 70 2HD ARG 70 15.227 0.748 12.636 573 2HD ARG 70 1HD ARG 70 16.689 1.732 12.567 574 HE ARG 70 HE ARG 70 14.405 3.393 12.088 575 1HH1 ARG 70 1HH2 ARG 70 16.039 1.574 14.519 576 2HH1 ARG 70 2HH2 ARG 70 15.508 2.585 15.820 577 1HH2 ARG 70 1HH1 ARG 70 13.702 4.724 13.774 578 2HH2 ARG 70 2HH1 ARG 70 14.185 4.369 15.400 579 H ILE 71 H ILE 71 16.822 -1.345 10.294 580 HA ILE 71 HA ILE 71 16.191 -2.196 13.064 581 HB ILE 71 HB ILE 71 17.406 -4.114 11.056 582 1HG1 ILE 71 2HG1 ILE 71 14.567 -3.882 12.104 583 2HG1 ILE 71 1HG1 ILE 71 15.092 -3.765 10.423 584 1HG2 ILE 71 1HG2 ILE 71 17.221 -5.734 12.804 585 2HG2 ILE 71 2HG2 ILE 71 16.222 -4.663 13.786 586 3HG2 ILE 71 3HG2 ILE 71 17.933 -4.305 13.551 587 1HD1 ILE 71 1HD1 ILE 71 14.253 -5.983 10.671 588 2HD1 ILE 71 2HD1 ILE 71 15.096 -6.209 12.203 589 3HD1 ILE 71 3HD1 ILE 71 16.009 -6.139 10.696 590 H LYS 72 H LYS 72 18.583 -1.765 10.492 591 HA LYS 72 HA LYS 72 20.629 -1.230 12.614 592 1HB LYS 72 2HB LYS 72 20.830 -3.416 11.173 593 2HB LYS 72 1HB LYS 72 21.383 -2.319 9.911 594 1HG LYS 72 2HG LYS 72 23.067 -1.411 11.570 595 2HG LYS 72 1HG LYS 72 22.603 -2.722 12.654 596 1HD LYS 72 2HD LYS 72 23.653 -3.091 9.832 597 2HD LYS 72 1HD LYS 72 24.607 -3.299 11.301 598 1HE LYS 72 2HE LYS 72 22.723 -4.964 12.004 599 2HE LYS 72 1HE LYS 72 22.321 -4.976 10.286 600 1HZ LYS 72 1HZ LYS 72 24.075 -6.627 11.294 601 2HZ LYS 72 2HZ LYS 72 25.125 -5.314 11.044 602 3HZ LYS 72 3HZ LYS 72 24.265 -5.980 9.738 603 H LEU 73 H LEU 73 22.432 0.198 11.755 604 HA LEU 73 HA LEU 73 23.089 2.240 10.817 605 1HB LEU 73 2HB LEU 73 21.225 1.627 8.516 606 2HB LEU 73 1HB LEU 73 22.761 2.487 8.478 607 HG LEU 73 HG LEU 73 22.380 -0.470 8.998 608 1HD1 LEU 73 1HD1 LEU 73 22.193 0.051 6.649 609 2HD1 LEU 73 2HD1 LEU 73 23.804 -0.615 6.918 610 3HD1 LEU 73 3HD1 LEU 73 23.591 1.124 6.726 611 1HD2 LEU 73 1HD2 LEU 73 24.941 -0.408 8.914 612 2HD2 LEU 73 2HD2 LEU 73 24.200 0.236 10.379 613 3HD2 LEU 73 3HD2 LEU 73 24.804 1.335 9.140 614 HA PRO 74 HA PRO 74 19.710 5.025 11.611 615 1HB PRO 74 2HB PRO 74 20.529 7.329 10.419 616 2HB PRO 74 1HB PRO 74 21.364 6.621 11.813 617 1HG PRO 74 2HG PRO 74 22.217 6.769 9.015 618 2HG PRO 74 1HG PRO 74 23.178 6.489 10.474 619 1HD PRO 74 2HD PRO 74 22.192 4.531 8.569 620 2HD PRO 74 1HD PRO 74 23.255 4.265 9.968 621 H CYS 75 H CYS 75 20.521 5.026 8.140 622 HA CYS 75 HA CYS 75 17.612 5.445 7.568 623 1HB CYS 75 2HB CYS 75 19.178 7.437 7.085 624 2HB CYS 75 1HB CYS 75 19.817 6.449 5.771 625 H HIS 76 H HIS 76 18.168 2.926 7.730 626 HA HIS 76 HA HIS 76 18.393 2.008 4.911 627 1HB HIS 76 2HB HIS 76 20.615 1.762 6.258 628 2HB HIS 76 1HB HIS 76 19.771 0.472 7.115 629 HD1 HIS 76 1HD HIS 76 21.117 1.394 3.724 630 HD2 HIS 76 2HD HIS 76 19.280 -1.865 5.571 631 HE1 HIS 76 1HE HIS 76 21.326 -0.555 2.116 632 HE2 HIS 76 2HE HIS 76 20.212 -2.542 3.231 633 H TYR 77 H TYR 77 17.180 0.058 4.537 634 HA TYR 77 HA TYR 77 15.614 -0.947 6.871 635 1HB TYR 77 2HB TYR 77 14.232 -0.581 4.239 636 2HB TYR 77 1HB TYR 77 13.552 -0.588 5.866 637 HD1 TYR 77 1HD TYR 77 13.347 1.421 7.132 638 HD2 TYR 77 2HD TYR 77 15.585 1.405 3.466 639 HE1 TYR 77 1HE TYR 77 13.469 3.896 7.196 640 HE2 TYR 77 2HE TYR 77 15.705 3.884 3.530 641 HH TYR 77 HH TYR 77 14.337 5.761 4.563 642 H LYS 78 H LYS 78 14.496 -3.022 6.352 643 HA LYS 78 HA LYS 78 16.181 -4.665 4.507 644 1HB LYS 78 2HB LYS 78 14.604 -5.325 7.002 645 2HB LYS 78 1HB LYS 78 15.136 -6.583 5.887 646 1HG LYS 78 2HG LYS 78 17.152 -4.570 6.828 647 2HG LYS 78 1HG LYS 78 16.664 -5.851 7.937 648 1HD LYS 78 2HD LYS 78 17.386 -7.562 6.437 649 2HD LYS 78 1HD LYS 78 17.561 -6.419 5.105 650 1HE LYS 78 2HE LYS 78 19.172 -6.207 7.656 651 2HE LYS 78 1HE LYS 78 19.732 -7.111 6.248 652 1HZ LYS 78 1HZ LYS 78 19.557 -4.259 6.660 653 2HZ LYS 78 2HZ LYS 78 18.967 -4.782 5.155 654 3HZ LYS 78 3HZ LYS 78 20.560 -5.146 5.618 655 H LEU 79 H LEU 79 15.074 -6.183 3.119 656 HA LEU 79 HA LEU 79 12.419 -5.206 2.282 657 1HB LEU 79 2HB LEU 79 14.027 -5.598 0.516 658 2HB LEU 79 1HB LEU 79 14.332 -7.235 1.092 659 HG LEU 79 HG LEU 79 12.087 -7.930 0.502 660 1HD1 LEU 79 1HD1 LEU 79 10.650 -6.158 -0.747 661 2HD1 LEU 79 2HD1 LEU 79 11.681 -4.974 0.055 662 3HD1 LEU 79 3HD1 LEU 79 10.706 -6.087 1.013 663 1HD2 LEU 79 1HD2 LEU 79 13.800 -7.840 -1.311 664 2HD2 LEU 79 2HD2 LEU 79 13.228 -6.226 -1.735 665 3HD2 LEU 79 3HD2 LEU 79 12.161 -7.618 -1.922 666 H SER 80 H SER 80 10.588 -6.154 2.976 667 HA SER 80 HA SER 80 10.547 -9.075 3.501 668 1HB SER 80 2HB SER 80 10.897 -8.409 5.725 669 2HB SER 80 1HB SER 80 10.002 -6.907 5.518 670 HG SER 80 HG SER 80 8.629 -8.228 6.583 671 H SER 81 H SER 81 8.661 -9.930 2.685 672 HA SER 81 HA SER 81 6.289 -8.152 2.414 673 1HB SER 81 2HB SER 81 7.687 -8.142 0.277 674 2HB SER 81 1HB SER 81 7.278 -9.847 0.112 675 HG SER 81 HG SER 81 5.059 -8.495 0.672 676 H SER 82 H SER 82 4.298 -9.389 1.990 677 HA SER 82 HA SER 82 4.391 -12.305 2.198 678 1HB SER 82 2HB SER 82 3.059 -10.797 4.456 679 2HB SER 82 1HB SER 82 3.344 -12.531 4.336 680 HG SER 82 HG SER 82 4.852 -11.211 5.661 681 H THR 83 H THR 83 2.140 -13.208 2.187 682 HA THR 83 HA THR 83 0.363 -11.409 0.633 683 HB THR 83 HB THR 83 -0.617 -13.935 0.324 684 HG1 THR 83 1HG THR 83 2.161 -14.286 0.310 685 1HG2 THR 83 1HG2 THR 83 -0.139 -12.518 -1.546 686 2HG2 THR 83 2HG2 THR 83 0.830 -13.975 -1.770 687 3HG2 THR 83 3HG2 THR 83 1.582 -12.499 -1.163 688 H ASN 84 H ASN 84 -1.391 -10.646 1.709 689 HA ASN 84 HA ASN 84 -2.951 -12.407 3.454 690 1HB ASN 84 2HB ASN 84 -2.782 -10.928 5.443 691 2HB ASN 84 1HB ASN 84 -1.226 -11.653 5.032 692 1HD2 ASN 84 1HD2 ASN 84 -1.413 -9.191 6.518 693 2HD2 ASN 84 2HD2 ASN 84 -0.779 -7.947 5.553 694 H THR 85 H THR 85 -5.005 -11.333 4.120 695 HA THR 85 HA THR 85 -6.091 -9.731 2.014 696 HB THR 85 HB THR 85 -7.565 -9.491 4.521 697 HG1 THR 85 1HG THR 85 -7.615 -12.101 4.004 698 1HG2 THR 85 1HG2 THR 85 -8.000 -10.838 1.851 699 2HG2 THR 85 2HG2 THR 85 -8.779 -9.390 2.486 700 3HG2 THR 85 3HG2 THR 85 -9.172 -10.966 3.158 701 H ILE 86 H ILE 86 -7.301 -7.552 2.757 702 HA ILE 86 HA ILE 86 -5.533 -5.936 4.511 703 HB ILE 86 HB ILE 86 -5.091 -4.282 2.830 704 1HG1 ILE 86 2HG1 ILE 86 -6.987 -5.893 1.084 705 2HG1 ILE 86 1HG1 ILE 86 -7.263 -4.266 1.700 706 1HG2 ILE 86 1HG2 ILE 86 -3.746 -6.422 2.766 707 2HG2 ILE 86 2HG2 ILE 86 -3.784 -5.544 1.238 708 3HG2 ILE 86 3HG2 ILE 86 -4.798 -6.970 1.460 709 1HD1 ILE 86 1HD1 ILE 86 -5.123 -3.593 0.469 710 2HD1 ILE 86 2HD1 ILE 86 -6.520 -3.969 -0.541 711 3HD1 ILE 86 3HD1 ILE 86 -5.227 -5.153 -0.346 712 H CYS 87 H CYS 87 -6.557 -4.018 5.287 713 HA CYS 87 HA CYS 87 -9.499 -3.895 4.773 714 1HB CYS 87 2HB CYS 87 -9.210 -2.608 7.140 715 2HB CYS 87 1HB CYS 87 -9.469 -4.345 7.040 716 H ILE 88 H ILE 88 -10.124 -2.044 3.762 717 HA ILE 88 HA ILE 88 -8.674 0.473 4.293 718 HB ILE 88 HB ILE 88 -7.340 0.280 2.469 719 1HG1 ILE 88 2HG1 ILE 88 -9.881 0.247 0.808 720 2HG1 ILE 88 1HG1 ILE 88 -9.206 1.707 1.532 721 1HG2 ILE 88 1HG2 ILE 88 -7.746 -1.545 0.742 722 2HG2 ILE 88 2HG2 ILE 88 -9.126 -2.042 1.719 723 3HG2 ILE 88 3HG2 ILE 88 -7.499 -2.097 2.396 724 1HD1 ILE 88 1HD1 ILE 88 -8.495 0.541 -0.942 725 2HD1 ILE 88 2HD1 ILE 88 -7.123 0.281 0.133 726 3HD1 ILE 88 3HD1 ILE 88 -7.729 1.914 -0.146 727 H THR 89 H THR 89 -9.889 2.352 3.513 728 HA THR 89 HA THR 89 -12.776 1.678 3.167 729 HB THR 89 HB THR 89 -11.315 3.824 4.570 730 HG1 THR 89 1HG THR 89 -12.542 2.389 5.701 731 1HG2 THR 89 1HG2 THR 89 -13.800 4.407 2.942 732 2HG2 THR 89 2HG2 THR 89 -12.258 5.263 2.886 733 3HG2 THR 89 3HG2 THR 89 -13.288 5.394 4.310 734 H CYS 90 H CYS 90 -13.897 2.355 1.409 735 HA CYS 90 HA CYS 90 -12.447 3.978 -0.655 736 1HB CYS 90 2HB CYS 90 -12.733 1.418 -1.068 737 2HB CYS 90 1HB CYS 90 -14.429 1.808 -1.344 738 H VAL 91 H VAL 91 -13.807 5.423 -1.863 739 HA VAL 91 HA VAL 91 -16.358 6.054 -0.484 740 HB VAL 91 HB VAL 91 -15.158 7.694 -2.706 741 1HG1 VAL 91 1HG1 VAL 91 -16.378 9.453 -1.746 742 2HG1 VAL 91 2HG1 VAL 91 -16.453 8.672 -0.167 743 3HG1 VAL 91 3HG1 VAL 91 -17.456 8.081 -1.491 744 1HG2 VAL 91 1HG2 VAL 91 -14.271 7.511 0.182 745 2HG2 VAL 91 2HG2 VAL 91 -13.937 8.916 -0.832 746 3HG2 VAL 91 3HG2 VAL 91 -13.277 7.339 -1.265 747 H ASN 92 H ASN 92 -17.105 7.498 -3.107 748 HA ASN 92 HA ASN 92 -19.087 5.814 -4.041 749 1HB ASN 92 2HB ASN 92 -17.465 7.892 -5.498 750 2HB ASN 92 1HB ASN 92 -18.813 7.056 -6.269 751 1HD2 ASN 92 1HD2 ASN 92 -18.903 7.743 -2.809 752 2HD2 ASN 92 2HD2 ASN 92 -20.096 8.947 -2.893 753 H GLN 93 H GLN 93 -15.796 5.989 -5.185 754 HA GLN 93 HA GLN 93 -15.604 3.218 -5.793 755 1HB GLN 93 2HB GLN 93 -15.502 3.479 -8.336 756 2HB GLN 93 1HB GLN 93 -17.112 3.532 -7.617 757 1HG GLN 93 2HG GLN 93 -17.063 5.990 -7.648 758 2HG GLN 93 1HG GLN 93 -15.439 5.958 -8.334 759 1HE2 GLN 93 1HE2 GLN 93 -18.818 4.968 -9.031 760 2HE2 GLN 93 2HE2 GLN 93 -18.638 4.988 -10.719 761 H LEU 94 H LEU 94 -13.889 4.791 -4.475 762 HA LEU 94 HA LEU 94 -11.481 4.675 -6.143 763 1HB LEU 94 2HB LEU 94 -12.879 7.129 -5.904 764 2HB LEU 94 1HB LEU 94 -11.485 7.269 -4.838 765 HG LEU 94 HG LEU 94 -10.070 6.414 -6.785 766 1HD1 LEU 94 1HD1 LEU 94 -12.742 6.747 -8.125 767 2HD1 LEU 94 2HD1 LEU 94 -11.546 5.467 -8.326 768 3HD1 LEU 94 3HD1 LEU 94 -11.265 7.053 -9.039 769 1HD2 LEU 94 1HD2 LEU 94 -11.543 9.026 -7.241 770 2HD2 LEU 94 2HD2 LEU 94 -9.914 8.624 -7.785 771 3HD2 LEU 94 3HD2 LEU 94 -10.246 8.814 -6.063 772 HA PRO 95 HA PRO 95 -10.515 3.512 -1.861 773 1HB PRO 95 2HB PRO 95 -8.097 2.345 -2.376 774 2HB PRO 95 1HB PRO 95 -9.646 1.536 -2.681 775 1HG PRO 95 2HG PRO 95 -7.800 2.873 -4.589 776 2HG PRO 95 1HG PRO 95 -8.782 1.413 -4.797 777 1HD PRO 95 2HD PRO 95 -9.472 3.894 -5.799 778 2HD PRO 95 1HD PRO 95 -10.645 2.606 -5.444 779 H ILE 96 H ILE 96 -9.602 4.883 -0.345 780 HA ILE 96 HA ILE 96 -7.097 6.312 -1.074 781 HB ILE 96 HB ILE 96 -8.015 8.472 -0.408 782 1HG1 ILE 96 2HG1 ILE 96 -10.608 8.517 -0.145 783 2HG1 ILE 96 1HG1 ILE 96 -10.460 6.796 0.199 784 1HG2 ILE 96 1HG2 ILE 96 -8.333 7.465 -2.772 785 2HG2 ILE 96 2HG2 ILE 96 -9.308 8.869 -2.345 786 3HG2 ILE 96 3HG2 ILE 96 -10.019 7.256 -2.308 787 1HD1 ILE 96 1HD1 ILE 96 -9.619 7.169 2.270 788 2HD1 ILE 96 2HD1 ILE 96 -10.247 8.802 2.073 789 3HD1 ILE 96 3HD1 ILE 96 -8.556 8.461 1.714 790 H HIS 97 H HIS 97 -8.909 4.642 1.320 791 HA HIS 97 HA HIS 97 -7.148 5.856 3.431 792 1HB HIS 97 2HB HIS 97 -9.979 5.141 3.384 793 2HB HIS 97 1HB HIS 97 -9.136 4.406 4.748 794 HD1 HIS 97 1HD HIS 97 -7.149 6.533 5.537 795 HD2 HIS 97 2HD HIS 97 -11.067 7.456 4.440 796 HE1 HIS 97 1HE HIS 97 -7.664 8.798 6.551 797 HE2 HIS 97 2HE HIS 97 -10.046 9.369 5.890 798 H PHE 98 H PHE 98 -5.721 4.565 4.451 799 HA PHE 98 HA PHE 98 -5.714 1.661 3.758 800 1HB PHE 98 2HB PHE 98 -3.658 3.018 3.252 801 2HB PHE 98 1HB PHE 98 -3.500 3.341 4.977 802 HD1 PHE 98 1HD PHE 98 -3.922 0.473 2.597 803 HD2 PHE 98 2HD PHE 98 -2.239 1.873 6.293 804 HE1 PHE 98 1HE PHE 98 -2.764 -1.699 2.892 805 HE2 PHE 98 2HE PHE 98 -1.082 -0.300 6.589 806 HZ PHE 98 HZ PHE 98 -1.344 -2.086 4.889 807 H ALA 99 H ALA 99 -7.049 0.750 5.317 808 HA ALA 99 HA ALA 99 -7.287 1.577 8.014 809 1HB ALA 99 1HB ALA 99 -8.651 -0.171 6.596 810 2HB ALA 99 2HB ALA 99 -8.516 -0.386 8.340 811 3HB ALA 99 3HB ALA 99 -7.492 -1.318 7.258 812 H GLY 100 H GLY 100 -5.779 -1.545 7.200 813 1HA GLY 100 2HA GLY 100 -3.234 -0.882 8.414 814 2HA GLY 100 1HA GLY 100 -4.250 -1.807 9.522 815 H VAL 101 H VAL 101 -2.448 -3.431 9.241 816 HA VAL 101 HA VAL 101 -2.366 -4.821 6.644 817 HB VAL 101 HB VAL 101 -1.059 -5.623 9.258 818 1HG1 VAL 101 1HG1 VAL 101 -0.475 -6.266 6.351 819 2HG1 VAL 101 2HG1 VAL 101 -1.115 -7.382 7.557 820 3HG1 VAL 101 3HG1 VAL 101 0.529 -6.763 7.713 821 1HG2 VAL 101 1HG2 VAL 101 -0.001 -3.870 7.015 822 2HG2 VAL 101 2HG2 VAL 101 0.933 -4.430 8.402 823 3HG2 VAL 101 3HG2 VAL 101 -0.418 -3.321 8.639 824 H GLY 102 H GLY 102 -3.270 -6.848 6.252 825 1HA GLY 102 2HA GLY 102 -4.508 -8.817 6.697 826 2HA GLY 102 1HA GLY 102 -4.480 -8.409 8.412 827 H SER 103 H SER 103 -6.767 -8.893 8.548 828 HA SER 103 HA SER 103 -8.582 -7.093 7.032 829 1HB SER 103 2HB SER 103 -9.439 -9.237 8.972 830 2HB SER 103 1HB SER 103 -10.331 -8.570 7.607 831 HG SER 103 HG SER 103 -8.713 -10.676 7.664 832 H CYS 104 H CYS 104 -10.025 -5.677 8.105 833 HA CYS 104 HA CYS 104 -9.809 -5.412 11.039 834 1HB CYS 104 2HB CYS 104 -9.410 -2.935 9.380 835 2HB CYS 104 1HB CYS 104 -8.966 -3.226 11.060 836 HA PRO 105 HA PRO 105 -14.096 -4.433 10.458 837 1HB PRO 105 2HB PRO 105 -14.608 -3.037 12.760 838 2HB PRO 105 1HB PRO 105 -14.387 -4.796 12.720 839 1HG PRO 105 2HG PRO 105 -12.451 -2.665 13.490 840 2HG PRO 105 1HG PRO 105 -12.738 -4.250 14.230 841 1HD PRO 105 2HD PRO 105 -10.635 -3.770 12.552 842 2HD PRO 105 1HD PRO 105 -11.412 -5.363 12.688 Start of MODEL 13 1 HN PCA 1 H PCA 1 -6.546 9.082 1.146 2 HA PCA 1 HA PCA 1 -7.457 11.436 2.043 3 1HB PCA 1 1HB PCA 1 -5.755 12.848 2.584 4 2HB PCA 1 2HB PCA 1 -4.908 12.507 1.092 5 1HG PCA 1 1HG PCA 1 -4.782 11.274 3.674 6 2HG PCA 1 2HG PCA 1 -3.613 11.283 2.335 7 H ASP 2 H ASP 2 -5.950 9.911 -0.620 8 HA ASP 2 HA ASP 2 -7.841 11.036 -2.464 9 1HB ASP 2 2HB ASP 2 -6.151 12.960 -2.070 10 2HB ASP 2 1HB ASP 2 -5.011 11.965 -2.974 11 H TRP 3 H TRP 3 -8.052 9.480 -4.010 12 HA TRP 3 HA TRP 3 -6.624 7.100 -4.061 13 1HB TRP 3 2HB TRP 3 -8.609 7.110 -5.318 14 2HB TRP 3 1HB TRP 3 -8.156 8.567 -6.195 15 HD1 TRP 3 HD TRP 3 -7.902 7.905 -8.616 16 HE1 TRP 3 1HE TRP 3 -6.675 6.048 -9.913 17 HE3 TRP 3 3HE TRP 3 -6.189 5.071 -4.717 18 HZ2 TRP 3 2HZ TRP 3 -5.174 3.678 -9.374 19 HZ3 TRP 3 3HZ TRP 3 -4.870 3.026 -5.141 20 HH2 TRP 3 HH TRP 3 -4.360 2.322 -7.463 21 H GLU 4 H GLU 4 -5.717 10.171 -5.485 22 HA GLU 4 HA GLU 4 -3.662 9.196 -7.229 23 1HB GLU 4 2HB GLU 4 -4.076 11.842 -5.821 24 2HB GLU 4 1HB GLU 4 -2.709 11.552 -6.897 25 1HG GLU 4 2HG GLU 4 -4.528 12.582 -8.162 26 2HG GLU 4 1HG GLU 4 -4.309 10.916 -8.701 27 H THR 5 H THR 5 -2.867 11.128 -4.348 28 HA THR 5 HA THR 5 -0.302 10.098 -3.962 29 HB THR 5 HB THR 5 -1.336 12.011 -2.715 30 HG1 THR 5 1HG THR 5 -0.315 11.276 -0.652 31 1HG2 THR 5 1HG2 THR 5 -2.753 11.652 -0.858 32 2HG2 THR 5 2HG2 THR 5 -2.384 9.928 -0.807 33 3HG2 THR 5 3HG2 THR 5 -3.393 10.576 -2.099 34 H PHE 6 H PHE 6 -3.341 8.866 -2.542 35 HA PHE 6 HA PHE 6 -2.247 6.750 -1.042 36 1HB PHE 6 2HB PHE 6 -4.617 7.260 -0.898 37 2HB PHE 6 1HB PHE 6 -4.844 6.876 -2.603 38 HD1 PHE 6 1HD PHE 6 -4.416 4.495 -3.391 39 HD2 PHE 6 2HD PHE 6 -4.678 5.557 0.761 40 HE1 PHE 6 1HE PHE 6 -4.810 2.119 -2.810 41 HE2 PHE 6 2HE PHE 6 -5.073 3.181 1.341 42 HZ PHE 6 HZ PHE 6 -5.139 1.460 -0.442 43 H GLN 7 H GLN 7 -2.574 7.162 -4.475 44 HA GLN 7 HA GLN 7 -1.962 4.326 -5.022 45 1HB GLN 7 2HB GLN 7 -3.545 5.469 -6.505 46 2HB GLN 7 1HB GLN 7 -2.336 6.691 -6.886 47 1HG GLN 7 2HG GLN 7 -1.712 3.785 -7.343 48 2HG GLN 7 1HG GLN 7 -2.678 4.671 -8.523 49 1HE2 GLN 7 1HE2 GLN 7 -1.438 7.211 -8.434 50 2HE2 GLN 7 2HE2 GLN 7 0.166 7.068 -8.970 51 H LYS 8 H LYS 8 -0.307 7.342 -4.597 52 HA LYS 8 HA LYS 8 2.059 6.430 -6.116 53 1HB LYS 8 2HB LYS 8 1.766 8.907 -4.402 54 2HB LYS 8 1HB LYS 8 2.976 8.605 -5.651 55 1HG LYS 8 2HG LYS 8 0.877 8.274 -7.208 56 2HG LYS 8 1HG LYS 8 0.047 9.202 -5.964 57 1HD LYS 8 2HD LYS 8 1.839 10.959 -6.175 58 2HD LYS 8 1HD LYS 8 2.475 10.064 -7.556 59 1HE LYS 8 2HE LYS 8 -0.392 11.026 -7.378 60 2HE LYS 8 1HE LYS 8 0.893 11.945 -8.163 61 1HZ LYS 8 1HZ LYS 8 -0.217 9.316 -8.924 62 2HZ LYS 8 2HZ LYS 8 1.314 9.816 -9.465 63 3HZ LYS 8 3HZ LYS 8 -0.069 10.716 -9.869 64 H LYS 9 H LYS 9 1.379 7.317 -2.691 65 HA LYS 9 HA LYS 9 3.981 6.204 -1.909 66 1HB LYS 9 2HB LYS 9 3.004 6.769 0.452 67 2HB LYS 9 1HB LYS 9 3.469 8.081 -0.630 68 1HG LYS 9 2HG LYS 9 1.220 8.531 -1.236 69 2HG LYS 9 1HG LYS 9 0.653 6.991 -0.589 70 1HD LYS 9 2HD LYS 9 1.314 7.762 1.700 71 2HD LYS 9 1HD LYS 9 1.725 9.332 1.012 72 1HE LYS 9 2HE LYS 9 -0.500 9.865 0.553 73 2HE LYS 9 1HE LYS 9 -1.003 8.175 0.505 74 1HZ LYS 9 1HZ LYS 9 0.076 9.106 3.034 75 2HZ LYS 9 2HZ LYS 9 -1.251 8.091 2.722 76 3HZ LYS 9 3HZ LYS 9 -1.416 9.777 2.585 77 H HIS 10 H HIS 10 0.568 5.395 -1.064 78 HA HIS 10 HA HIS 10 1.350 3.028 0.392 79 1HB HIS 10 2HB HIS 10 -1.359 3.522 -0.847 80 2HB HIS 10 1HB HIS 10 -0.977 2.542 0.566 81 HD1 HIS 10 1HD HIS 10 -2.993 4.682 1.081 82 HD2 HIS 10 2HD HIS 10 1.102 5.435 1.340 83 HE1 HIS 10 1HE HIS 10 -2.732 6.733 2.548 84 HE2 HIS 10 2HE HIS 10 -0.244 7.197 2.715 85 H LEU 11 H LEU 11 1.069 3.590 -3.006 86 HA LEU 11 HA LEU 11 1.046 0.611 -3.413 87 1HB LEU 11 2HB LEU 11 -0.359 2.814 -4.833 88 2HB LEU 11 1HB LEU 11 0.297 1.531 -5.844 89 HG LEU 11 HG LEU 11 -0.878 -0.146 -4.426 90 1HD1 LEU 11 1HD1 LEU 11 -1.747 2.367 -3.011 91 2HD1 LEU 11 2HD1 LEU 11 -1.162 0.854 -2.327 92 3HD1 LEU 11 3HD1 LEU 11 -2.785 0.942 -3.002 93 1HD2 LEU 11 1HD2 LEU 11 -1.877 0.947 -6.508 94 2HD2 LEU 11 2HD2 LEU 11 -2.812 1.960 -5.409 95 3HD2 LEU 11 3HD2 LEU 11 -3.028 0.210 -5.396 96 H THR 12 H THR 12 2.498 -0.243 -4.928 97 HA THR 12 HA THR 12 4.482 1.674 -6.088 98 HB THR 12 HB THR 12 5.646 0.792 -4.196 99 HG1 THR 12 1HG THR 12 6.696 -1.086 -5.807 100 1HG2 THR 12 1HG2 THR 12 3.972 -1.514 -4.660 101 2HG2 THR 12 2HG2 THR 12 4.947 -1.127 -3.246 102 3HG2 THR 12 3HG2 THR 12 5.659 -2.016 -4.589 103 H ASP 13 H ASP 13 6.050 -0.083 -7.486 104 HA ASP 13 HA ASP 13 4.069 -1.493 -9.241 105 1HB ASP 13 2HB ASP 13 6.670 -0.226 -10.128 106 2HB ASP 13 1HB ASP 13 5.378 -0.852 -11.152 107 H THR 14 H THR 14 6.169 -2.354 -6.978 108 HA THR 14 HA THR 14 6.935 -4.792 -8.480 109 HB THR 14 HB THR 14 8.833 -3.218 -8.794 110 HG1 THR 14 1HG THR 14 9.592 -5.210 -8.744 111 1HG2 THR 14 1HG2 THR 14 8.425 -1.985 -6.641 112 2HG2 THR 14 2HG2 THR 14 10.108 -2.443 -6.892 113 3HG2 THR 14 3HG2 THR 14 9.099 -3.370 -5.782 114 H LYS 15 H LYS 15 7.454 -6.567 -7.094 115 HA LYS 15 HA LYS 15 6.130 -6.467 -4.503 116 1HB LYS 15 2HB LYS 15 7.821 -8.638 -5.785 117 2HB LYS 15 1HB LYS 15 6.838 -8.839 -4.334 118 1HG LYS 15 2HG LYS 15 4.810 -8.512 -5.534 119 2HG LYS 15 1HG LYS 15 5.657 -7.874 -6.943 120 1HD LYS 15 2HD LYS 15 6.695 -10.080 -7.323 121 2HD LYS 15 1HD LYS 15 5.846 -10.722 -5.917 122 1HE LYS 15 2HE LYS 15 4.542 -11.335 -7.835 123 2HE LYS 15 1HE LYS 15 3.680 -10.016 -7.043 124 1HZ LYS 15 1HZ LYS 15 4.891 -8.497 -8.605 125 2HZ LYS 15 2HZ LYS 15 3.736 -9.510 -9.329 126 3HZ LYS 15 3HZ LYS 15 5.390 -9.875 -9.458 127 H LYS 16 H LYS 16 9.279 -5.830 -5.651 128 HA LYS 16 HA LYS 16 10.355 -5.918 -2.853 129 1HB LYS 16 2HB LYS 16 11.927 -6.239 -5.432 130 2HB LYS 16 1HB LYS 16 12.560 -6.364 -3.791 131 1HG LYS 16 2HG LYS 16 12.215 -8.609 -4.163 132 2HG LYS 16 1HG LYS 16 10.591 -8.200 -3.614 133 1HD LYS 16 2HD LYS 16 10.113 -9.316 -5.602 134 2HD LYS 16 1HD LYS 16 10.193 -7.649 -6.172 135 1HE LYS 16 2HE LYS 16 12.538 -7.978 -6.845 136 2HE LYS 16 1HE LYS 16 12.484 -9.638 -6.250 137 1HZ LYS 16 1HZ LYS 16 10.507 -9.884 -7.822 138 2HZ LYS 16 2HZ LYS 16 12.060 -9.835 -8.508 139 3HZ LYS 16 3HZ LYS 16 11.064 -8.459 -8.554 140 H VAL 17 H VAL 17 9.200 -3.681 -3.084 141 HA VAL 17 HA VAL 17 10.127 -1.600 -4.716 142 HB VAL 17 HB VAL 17 9.492 -0.065 -2.867 143 1HG1 VAL 17 1HG1 VAL 17 7.460 -2.274 -2.987 144 2HG1 VAL 17 2HG1 VAL 17 7.857 -1.339 -4.427 145 3HG1 VAL 17 3HG1 VAL 17 7.202 -0.531 -3.002 146 1HG2 VAL 17 1HG2 VAL 17 10.091 -1.011 -0.840 147 2HG2 VAL 17 2HG2 VAL 17 9.639 -2.639 -1.341 148 3HG2 VAL 17 3HG2 VAL 17 8.393 -1.483 -0.877 149 H LYS 18 H LYS 18 11.523 0.230 -4.069 150 HA LYS 18 HA LYS 18 14.032 -0.817 -2.890 151 1HB LYS 18 2HB LYS 18 14.857 1.525 -3.757 152 2HB LYS 18 1HB LYS 18 14.554 0.239 -4.926 153 1HG LYS 18 2HG LYS 18 12.387 1.135 -5.472 154 2HG LYS 18 1HG LYS 18 12.470 2.289 -4.141 155 1HD LYS 18 2HD LYS 18 12.985 3.352 -6.329 156 2HD LYS 18 1HD LYS 18 14.345 3.441 -5.210 157 1HE LYS 18 2HE LYS 18 14.803 2.686 -7.662 158 2HE LYS 18 1HE LYS 18 15.555 1.780 -6.349 159 1HZ LYS 18 1HZ LYS 18 14.218 0.003 -6.681 160 2HZ LYS 18 2HZ LYS 18 14.180 0.615 -8.266 161 3HZ LYS 18 3HZ LYS 18 12.898 0.933 -7.198 162 H CYS 19 H CYS 19 12.596 -0.707 -0.853 163 HA CYS 19 HA CYS 19 11.568 1.367 0.498 164 1HB CYS 19 2HB CYS 19 13.622 -0.599 1.528 165 2HB CYS 19 1HB CYS 19 12.739 0.500 2.586 166 H ASP 20 H ASP 20 15.055 0.984 -0.070 167 HA ASP 20 HA ASP 20 16.140 2.976 1.524 168 1HB ASP 20 2HB ASP 20 17.535 1.598 0.078 169 2HB ASP 20 1HB ASP 20 16.829 2.340 -1.359 170 H VAL 21 H VAL 21 14.480 3.399 -1.581 171 HA VAL 21 HA VAL 21 14.600 6.354 -1.195 172 HB VAL 21 HB VAL 21 13.526 4.978 -3.646 173 1HG1 VAL 21 1HG1 VAL 21 13.323 7.180 -4.178 174 2HG1 VAL 21 2HG1 VAL 21 15.067 7.142 -4.415 175 3HG1 VAL 21 3HG1 VAL 21 14.401 7.691 -2.880 176 1HG2 VAL 21 1HG2 VAL 21 15.627 3.856 -3.293 177 2HG2 VAL 21 2HG2 VAL 21 16.432 5.373 -2.892 178 3HG2 VAL 21 3HG2 VAL 21 15.893 5.072 -4.543 179 H GLU 22 H GLU 22 12.379 3.618 -1.573 180 HA GLU 22 HA GLU 22 9.947 5.046 -1.793 181 1HB GLU 22 2HB GLU 22 10.655 2.377 -1.509 182 2HB GLU 22 1HB GLU 22 9.764 2.708 -0.024 183 1HG GLU 22 2HG GLU 22 7.985 3.798 -1.521 184 2HG GLU 22 1HG GLU 22 8.815 3.029 -2.875 185 H MET 23 H MET 23 12.229 5.202 0.621 186 HA MET 23 HA MET 23 10.237 6.340 2.546 187 1HB MET 23 2HB MET 23 12.724 4.760 3.269 188 2HB MET 23 1HB MET 23 11.565 5.458 4.401 189 1HG MET 23 2HG MET 23 9.802 4.004 3.571 190 2HG MET 23 1HG MET 23 10.865 3.382 2.307 191 1HE MET 23 1HE MET 23 9.696 2.482 6.089 192 2HE MET 23 2HE MET 23 10.304 4.114 5.827 193 3HE MET 23 3HE MET 23 11.234 2.981 6.801 194 H ALA 24 H ALA 24 13.659 6.279 1.514 195 HA ALA 24 HA ALA 24 14.283 8.736 2.932 196 1HB ALA 24 1HB ALA 24 16.435 8.578 1.920 197 2HB ALA 24 2HB ALA 24 15.819 7.591 0.594 198 3HB ALA 24 3HB ALA 24 15.936 6.913 2.218 199 H LYS 25 H LYS 25 12.268 8.258 0.424 200 HA LYS 25 HA LYS 25 13.016 10.106 -1.586 201 1HB LYS 25 2HB LYS 25 10.443 8.976 -0.580 202 2HB LYS 25 1HB LYS 25 10.333 10.399 -1.608 203 1HG LYS 25 2HG LYS 25 11.091 9.297 -3.474 204 2HG LYS 25 1HG LYS 25 12.168 8.256 -2.552 205 1HD LYS 25 2HD LYS 25 10.558 6.717 -3.190 206 2HD LYS 25 1HD LYS 25 9.889 7.239 -1.644 207 1HE LYS 25 2HE LYS 25 8.054 7.388 -3.123 208 2HE LYS 25 1HE LYS 25 8.646 9.047 -3.025 209 1HZ LYS 25 1HZ LYS 25 8.845 8.978 -5.218 210 2HZ LYS 25 2HZ LYS 25 8.526 7.311 -5.273 211 3HZ LYS 25 3HZ LYS 25 10.112 7.867 -5.025 212 H ALA 26 H ALA 26 10.954 12.042 -1.630 213 HA ALA 26 HA ALA 26 11.891 13.862 0.538 214 1HB ALA 26 1HB ALA 26 10.448 14.460 -2.063 215 2HB ALA 26 2HB ALA 26 12.177 14.659 -1.776 216 3HB ALA 26 3HB ALA 26 11.017 15.665 -0.909 217 H LEU 27 H LEU 27 9.142 12.048 -0.489 218 HA LEU 27 HA LEU 27 7.274 13.766 1.055 219 1HB LEU 27 2HB LEU 27 5.504 12.476 0.100 220 2HB LEU 27 1HB LEU 27 6.652 12.773 -1.199 221 HG LEU 27 HG LEU 27 7.625 10.415 -0.160 222 1HD1 LEU 27 1HD1 LEU 27 4.601 10.408 0.099 223 2HD1 LEU 27 2HD1 LEU 27 5.782 10.039 1.355 224 3HD1 LEU 27 3HD1 LEU 27 5.571 8.940 -0.005 225 1HD2 LEU 27 1HD2 LEU 27 7.280 10.882 -2.537 226 2HD2 LEU 27 2HD2 LEU 27 5.530 10.804 -2.324 227 3HD2 LEU 27 3HD2 LEU 27 6.508 9.350 -2.124 228 H PHE 28 H PHE 28 9.411 11.318 1.710 229 HA PHE 28 HA PHE 28 7.728 10.290 3.970 230 1HB PHE 28 2HB PHE 28 9.757 8.975 2.198 231 2HB PHE 28 1HB PHE 28 9.618 8.419 3.860 232 HD1 PHE 28 1HD PHE 28 8.518 7.763 0.647 233 HD2 PHE 28 2HD PHE 28 6.973 8.253 4.627 234 HE1 PHE 28 1HE PHE 28 6.527 6.416 0.043 235 HE2 PHE 28 2HE PHE 28 4.983 6.910 4.019 236 HZ PHE 28 HZ PHE 28 4.760 5.989 1.729 237 H ASP 29 H ASP 29 11.039 11.197 3.001 238 HA ASP 29 HA ASP 29 12.668 12.348 4.252 239 1HB ASP 29 2HB ASP 29 10.981 12.218 6.738 240 2HB ASP 29 1HB ASP 29 12.099 13.474 6.212 241 H CYS 30 H CYS 30 12.595 9.507 3.970 242 HA CYS 30 HA CYS 30 13.563 7.570 4.872 243 1HB CYS 30 2HB CYS 30 15.546 9.002 4.870 244 2HB CYS 30 1HB CYS 30 15.079 9.690 6.423 245 H LYS 31 H LYS 31 11.266 7.412 5.947 246 HA LYS 31 HA LYS 31 11.023 7.975 8.764 247 1HB LYS 31 2HB LYS 31 9.555 5.805 7.247 248 2HB LYS 31 1HB LYS 31 9.013 6.654 8.689 249 1HG LYS 31 2HG LYS 31 9.525 8.021 6.037 250 2HG LYS 31 1HG LYS 31 7.945 7.426 6.528 251 1HD LYS 31 2HD LYS 31 9.591 9.525 7.973 252 2HD LYS 31 1HD LYS 31 8.132 9.811 7.029 253 1HE LYS 31 2HE LYS 31 7.178 9.698 9.123 254 2HE LYS 31 1HE LYS 31 7.134 7.984 8.715 255 1HZ LYS 31 1HZ LYS 31 8.146 7.933 10.748 256 2HZ LYS 31 2HZ LYS 31 8.935 9.422 10.532 257 3HZ LYS 31 3HZ LYS 31 9.510 8.031 9.745 258 H LYS 32 H LYS 32 9.991 5.100 9.177 259 HA LYS 32 HA LYS 32 12.585 3.669 9.479 260 1HB LYS 32 2HB LYS 32 12.092 3.121 11.808 261 2HB LYS 32 1HB LYS 32 12.112 4.874 11.616 262 1HG LYS 32 2HG LYS 32 9.592 4.748 11.282 263 2HG LYS 32 1HG LYS 32 9.692 3.069 11.813 264 1HD LYS 32 2HD LYS 32 10.674 5.449 13.415 265 2HD LYS 32 1HD LYS 32 9.143 4.615 13.686 266 1HE LYS 32 2HE LYS 32 10.582 2.469 13.893 267 2HE LYS 32 1HE LYS 32 11.945 3.572 14.088 268 1HZ LYS 32 1HZ LYS 32 11.156 3.123 16.239 269 2HZ LYS 32 2HZ LYS 32 9.531 3.338 15.788 270 3HZ LYS 32 3HZ LYS 32 10.578 4.674 15.869 271 H THR 33 H THR 33 9.058 3.622 9.445 272 HA THR 33 HA THR 33 9.174 0.771 8.571 273 HB THR 33 HB THR 33 7.072 1.853 10.468 274 HG1 THR 33 1HG THR 33 8.240 0.498 11.988 275 1HG2 THR 33 1HG2 THR 33 6.477 -0.489 10.724 276 2HG2 THR 33 2HG2 THR 33 7.831 -0.979 9.706 277 3HG2 THR 33 3HG2 THR 33 6.479 -0.088 9.006 278 H ASN 34 H ASN 34 8.052 0.521 6.686 279 HA ASN 34 HA ASN 34 5.797 2.387 6.113 280 1HB ASN 34 2HB ASN 34 8.232 1.915 4.387 281 2HB ASN 34 1HB ASN 34 6.716 2.519 3.722 282 1HD2 ASN 34 1HD2 ASN 34 7.385 4.689 3.295 283 2HD2 ASN 34 2HD2 ASN 34 7.859 5.766 4.518 284 H THR 35 H THR 35 4.287 1.561 4.585 285 HA THR 35 HA THR 35 4.633 -1.297 3.794 286 HB THR 35 HB THR 35 2.258 -0.056 5.213 287 HG1 THR 35 1HG THR 35 2.881 -1.281 6.814 288 1HG2 THR 35 1HG2 THR 35 1.249 -1.358 3.519 289 2HG2 THR 35 2HG2 THR 35 1.321 -2.445 4.907 290 3HG2 THR 35 3HG2 THR 35 2.501 -2.597 3.606 291 H PHE 36 H PHE 36 3.354 -1.873 1.902 292 HA PHE 36 HA PHE 36 1.872 0.299 0.548 293 1HB PHE 36 2HB PHE 36 3.931 -0.968 -1.191 294 2HB PHE 36 1HB PHE 36 3.291 0.671 -1.222 295 HD1 PHE 36 1HD PHE 36 5.861 -1.539 0.109 296 HD2 PHE 36 2HD PHE 36 4.153 2.384 0.365 297 HE1 PHE 36 1HE PHE 36 7.881 -0.747 1.279 298 HE2 PHE 36 2HE PHE 36 6.182 3.187 1.542 299 HZ PHE 36 HZ PHE 36 8.050 1.616 1.991 300 H ILE 37 H ILE 37 1.130 -0.658 -1.733 301 HA ILE 37 HA ILE 37 0.507 -3.563 -1.346 302 HB ILE 37 HB ILE 37 -1.288 -1.450 -2.562 303 1HG1 ILE 37 2HG1 ILE 37 -2.068 -2.830 -0.042 304 2HG1 ILE 37 1HG1 ILE 37 -0.740 -1.687 0.118 305 1HG2 ILE 37 1HG2 ILE 37 -2.991 -3.303 -2.315 306 2HG2 ILE 37 2HG2 ILE 37 -1.658 -4.386 -1.912 307 3HG2 ILE 37 3HG2 ILE 37 -1.727 -3.627 -3.502 308 1HD1 ILE 37 1HD1 ILE 37 -3.126 -0.787 -1.437 309 2HD1 ILE 37 2HD1 ILE 37 -2.056 0.132 -0.377 310 3HD1 ILE 37 3HD1 ILE 37 -3.292 -0.917 0.313 311 H TYR 38 H TYR 38 0.864 -4.875 -3.099 312 HA TYR 38 HA TYR 38 2.037 -3.573 -5.508 313 1HB TYR 38 2HB TYR 38 3.278 -5.455 -4.536 314 2HB TYR 38 1HB TYR 38 1.864 -6.492 -4.700 315 HD1 TYR 38 1HD TYR 38 4.001 -4.212 -6.777 316 HD2 TYR 38 2HD TYR 38 1.688 -7.829 -6.603 317 HE1 TYR 38 1HE TYR 38 4.667 -4.751 -9.105 318 HE2 TYR 38 2HE TYR 38 2.355 -8.366 -8.931 319 HH TYR 38 HH TYR 38 3.546 -7.745 -10.691 320 H ALA 39 H ALA 39 0.335 -2.864 -6.785 321 HA ALA 39 HA ALA 39 -1.271 -4.914 -8.111 322 1HB ALA 39 1HB ALA 39 -2.665 -4.589 -6.146 323 2HB ALA 39 2HB ALA 39 -3.451 -3.817 -7.522 324 3HB ALA 39 3HB ALA 39 -2.588 -2.837 -6.337 325 H LEU 40 H LEU 40 -2.367 -4.028 -10.006 326 HA LEU 40 HA LEU 40 -1.041 -1.569 -10.956 327 1HB LEU 40 2HB LEU 40 -1.275 -2.410 -13.068 328 2HB LEU 40 1HB LEU 40 -1.461 -3.925 -12.196 329 HG LEU 40 HG LEU 40 -4.032 -3.174 -12.169 330 1HD1 LEU 40 1HD1 LEU 40 -3.309 -1.014 -13.388 331 2HD1 LEU 40 2HD1 LEU 40 -4.669 -1.898 -14.069 332 3HD1 LEU 40 3HD1 LEU 40 -3.073 -2.038 -14.799 333 1HD2 LEU 40 1HD2 LEU 40 -2.501 -4.438 -14.455 334 2HD2 LEU 40 2HD2 LEU 40 -4.262 -4.428 -14.364 335 3HD2 LEU 40 3HD2 LEU 40 -3.321 -5.261 -13.127 336 HA PRO 41 HA PRO 41 -4.198 1.382 -10.153 337 1HB PRO 41 2HB PRO 41 -4.250 1.874 -13.097 338 2HB PRO 41 1HB PRO 41 -4.055 3.024 -11.764 339 1HG PRO 41 2HG PRO 41 -2.011 2.092 -13.331 340 2HG PRO 41 1HG PRO 41 -1.814 2.753 -11.703 341 1HD PRO 41 2HD PRO 41 -1.418 0.014 -12.590 342 2HD PRO 41 1HD PRO 41 -1.093 0.716 -10.992 343 H GLY 42 H GLY 42 -4.861 -0.209 -13.297 344 1HA GLY 42 2HA GLY 42 -7.656 0.055 -13.258 345 2HA GLY 42 1HA GLY 42 -6.819 -1.261 -14.075 346 H ARG 43 H ARG 43 -5.793 -2.770 -12.093 347 HA ARG 43 HA ARG 43 -8.041 -4.187 -11.069 348 1HB ARG 43 2HB ARG 43 -5.101 -4.256 -10.372 349 2HB ARG 43 1HB ARG 43 -6.277 -5.338 -9.624 350 1HG ARG 43 2HG ARG 43 -6.972 -6.066 -11.930 351 2HG ARG 43 1HG ARG 43 -5.637 -5.111 -12.578 352 1HD ARG 43 2HD ARG 43 -4.967 -7.466 -12.310 353 2HD ARG 43 1HD ARG 43 -4.041 -6.427 -11.225 354 HE ARG 43 HE ARG 43 -5.117 -7.465 -9.389 355 1HH1 ARG 43 1HH2 ARG 43 -6.664 -8.148 -12.394 356 2HH1 ARG 43 2HH2 ARG 43 -7.722 -9.346 -11.729 357 1HH2 ARG 43 1HH1 ARG 43 -6.490 -9.027 -8.503 358 2HH2 ARG 43 2HH1 ARG 43 -7.625 -9.844 -9.526 359 H VAL 44 H VAL 44 -6.138 -1.561 -9.734 360 HA VAL 44 HA VAL 44 -7.093 -1.941 -7.008 361 HB VAL 44 HB VAL 44 -5.786 0.450 -8.339 362 1HG1 VAL 44 1HG1 VAL 44 -5.210 0.876 -5.823 363 2HG1 VAL 44 2HG1 VAL 44 -6.599 -0.160 -5.503 364 3HG1 VAL 44 3HG1 VAL 44 -6.804 1.334 -6.419 365 1HG2 VAL 44 1HG2 VAL 44 -3.729 -0.394 -7.541 366 2HG2 VAL 44 2HG2 VAL 44 -4.549 -1.833 -8.141 367 3HG2 VAL 44 3HG2 VAL 44 -4.514 -1.497 -6.411 368 H LYS 45 H LYS 45 -7.719 0.620 -9.442 369 HA LYS 45 HA LYS 45 -9.938 1.725 -7.979 370 1HB LYS 45 2HB LYS 45 -10.383 3.019 -9.967 371 2HB LYS 45 1HB LYS 45 -8.631 2.897 -9.808 372 1HG LYS 45 2HG LYS 45 -8.763 0.866 -11.349 373 2HG LYS 45 1HG LYS 45 -10.433 1.335 -11.668 374 1HD LYS 45 2HD LYS 45 -9.275 3.717 -12.102 375 2HD LYS 45 1HD LYS 45 -7.894 2.689 -12.479 376 1HE LYS 45 2HE LYS 45 -10.534 2.909 -13.878 377 2HE LYS 45 1HE LYS 45 -8.913 2.776 -14.562 378 1HZ LYS 45 1HZ LYS 45 -9.451 0.469 -13.061 379 2HZ LYS 45 2HZ LYS 45 -9.193 0.604 -14.735 380 3HZ LYS 45 3HZ LYS 45 -10.764 0.736 -14.102 381 H ALA 46 H ALA 46 -9.575 -1.030 -9.997 382 HA ALA 46 HA ALA 46 -12.350 -1.268 -10.816 383 1HB ALA 46 1HB ALA 46 -10.030 -3.209 -10.735 384 2HB ALA 46 2HB ALA 46 -10.699 -2.396 -12.148 385 3HB ALA 46 3HB ALA 46 -11.624 -3.656 -11.335 386 H LEU 47 H LEU 47 -10.375 -2.616 -8.175 387 HA LEU 47 HA LEU 47 -12.525 -4.272 -7.157 388 1HB LEU 47 2HB LEU 47 -9.761 -3.594 -6.383 389 2HB LEU 47 1HB LEU 47 -10.830 -3.877 -5.010 390 HG LEU 47 HG LEU 47 -11.546 -6.032 -6.101 391 1HD1 LEU 47 1HD1 LEU 47 -10.831 -5.285 -8.414 392 2HD1 LEU 47 2HD1 LEU 47 -10.285 -6.900 -7.963 393 3HD1 LEU 47 3HD1 LEU 47 -9.162 -5.542 -7.906 394 1HD2 LEU 47 1HD2 LEU 47 -9.658 -5.770 -4.373 395 2HD2 LEU 47 2HD2 LEU 47 -8.546 -5.933 -5.733 396 3HD2 LEU 47 3HD2 LEU 47 -9.652 -7.248 -5.334 397 H CYS 48 H CYS 48 -12.288 -0.982 -7.281 398 HA CYS 48 HA CYS 48 -13.661 -0.602 -4.649 399 1HB CYS 48 2HB CYS 48 -11.845 1.066 -6.281 400 2HB CYS 48 1HB CYS 48 -13.244 1.933 -5.650 401 H LYS 49 H LYS 49 -14.111 -0.733 -8.030 402 HA LYS 49 HA LYS 49 -16.346 1.034 -8.316 403 1HB LYS 49 2HB LYS 49 -16.587 0.110 -10.453 404 2HB LYS 49 1HB LYS 49 -14.884 -0.188 -10.114 405 1HG LYS 49 2HG LYS 49 -15.671 -2.461 -9.159 406 2HG LYS 49 1HG LYS 49 -17.184 -2.139 -10.005 407 1HD LYS 49 2HD LYS 49 -15.915 -1.852 -12.122 408 2HD LYS 49 1HD LYS 49 -14.428 -2.253 -11.264 409 1HE LYS 49 2HE LYS 49 -15.365 -4.228 -12.433 410 2HE LYS 49 1HE LYS 49 -15.336 -4.462 -10.686 411 1HZ LYS 49 1HZ LYS 49 -17.708 -3.449 -12.147 412 2HZ LYS 49 2HZ LYS 49 -17.630 -3.991 -10.538 413 3HZ LYS 49 3HZ LYS 49 -17.458 -5.094 -11.818 414 H ASN 50 H ASN 50 -18.620 0.383 -8.575 415 HA ASN 50 HA ASN 50 -20.564 -0.740 -7.906 416 1HB ASN 50 2HB ASN 50 -19.098 -2.737 -8.793 417 2HB ASN 50 1HB ASN 50 -18.939 -3.133 -7.082 418 1HD2 ASN 50 1HD2 ASN 50 -21.256 -2.875 -9.754 419 2HD2 ASN 50 2HD2 ASN 50 -22.526 -3.674 -8.958 420 H ILE 51 H ILE 51 -17.931 -0.123 -5.866 421 HA ILE 51 HA ILE 51 -19.141 -1.127 -3.406 422 HB ILE 51 HB ILE 51 -16.900 0.871 -3.833 423 1HG1 ILE 51 2HG1 ILE 51 -16.358 -1.334 -4.750 424 2HG1 ILE 51 1HG1 ILE 51 -15.446 -1.073 -3.266 425 1HG2 ILE 51 1HG2 ILE 51 -18.051 -0.443 -1.386 426 2HG2 ILE 51 2HG2 ILE 51 -17.595 1.244 -1.630 427 3HG2 ILE 51 3HG2 ILE 51 -16.349 0.015 -1.432 428 1HD1 ILE 51 1HD1 ILE 51 -17.547 -2.255 -2.151 429 2HD1 ILE 51 2HD1 ILE 51 -16.260 -3.211 -2.882 430 3HD1 ILE 51 3HD1 ILE 51 -17.752 -2.917 -3.774 431 H ARG 52 H ARG 52 -19.453 0.569 -1.578 432 HA ARG 52 HA ARG 52 -21.363 2.585 -2.624 433 1HB ARG 52 2HB ARG 52 -21.426 0.832 -0.444 434 2HB ARG 52 1HB ARG 52 -21.124 2.401 0.296 435 1HG ARG 52 2HG ARG 52 -23.337 1.894 -1.716 436 2HG ARG 52 1HG ARG 52 -23.568 1.834 0.030 437 1HD ARG 52 2HD ARG 52 -22.867 4.161 0.247 438 2HD ARG 52 1HD ARG 52 -22.508 4.241 -1.478 439 HE ARG 52 HE ARG 52 -25.140 4.472 -0.285 440 1HH1 ARG 52 1HH2 ARG 52 -23.321 3.366 -2.996 441 2HH1 ARG 52 2HH2 ARG 52 -24.639 3.514 -4.110 442 1HH2 ARG 52 1HH1 ARG 52 -26.872 4.671 -1.722 443 2HH2 ARG 52 2HH1 ARG 52 -26.650 4.253 -3.389 444 H ASP 53 H ASP 53 -21.158 4.273 -0.251 445 HA ASP 53 HA ASP 53 -19.062 6.060 -1.153 446 1HB ASP 53 2HB ASP 53 -19.788 7.500 0.654 447 2HB ASP 53 1HB ASP 53 -21.218 6.805 -0.110 448 H ASN 54 H ASN 54 -18.328 6.927 1.520 449 HA ASN 54 HA ASN 54 -15.881 5.479 1.795 450 1HB ASN 54 2HB ASN 54 -15.537 6.800 3.823 451 2HB ASN 54 1HB ASN 54 -16.205 7.827 2.553 452 1HD2 ASN 54 1HD2 ASN 54 -18.877 7.496 2.607 453 2HD2 ASN 54 2HD2 ASN 54 -19.531 7.780 4.147 454 H THR 55 H THR 55 -15.731 3.435 2.503 455 HA THR 55 HA THR 55 -16.971 2.671 5.051 456 HB THR 55 HB THR 55 -17.508 0.766 2.803 457 HG1 THR 55 1HG THR 55 -19.656 2.068 2.886 458 1HG2 THR 55 1HG2 THR 55 -19.048 1.580 5.285 459 2HG2 THR 55 2HG2 THR 55 -17.991 0.174 5.152 460 3HG2 THR 55 3HG2 THR 55 -19.471 0.257 4.197 461 H ASP 56 H ASP 56 -16.143 0.473 5.721 462 HA ASP 56 HA ASP 56 -13.341 0.187 4.807 463 1HB ASP 56 2HB ASP 56 -13.182 -1.392 6.760 464 2HB ASP 56 1HB ASP 56 -13.671 0.243 7.205 465 H VAL 57 H VAL 57 -12.889 -1.260 3.233 466 HA VAL 57 HA VAL 57 -14.742 -3.572 2.843 467 HB VAL 57 HB VAL 57 -13.904 -3.694 0.577 468 1HG1 VAL 57 1HG1 VAL 57 -14.669 -1.569 -0.273 469 2HG1 VAL 57 2HG1 VAL 57 -14.293 -0.765 1.253 470 3HG1 VAL 57 3HG1 VAL 57 -15.615 -1.931 1.172 471 1HG2 VAL 57 1HG2 VAL 57 -12.201 -1.941 -0.157 472 2HG2 VAL 57 2HG2 VAL 57 -11.570 -3.226 0.875 473 3HG2 VAL 57 3HG2 VAL 57 -11.912 -1.635 1.554 474 H LEU 58 H LEU 58 -13.570 -5.606 2.062 475 HA LEU 58 HA LEU 58 -10.911 -5.922 3.394 476 1HB LEU 58 2HB LEU 58 -13.309 -6.913 4.404 477 2HB LEU 58 1HB LEU 58 -12.669 -8.289 3.514 478 HG LEU 58 HG LEU 58 -11.941 -8.278 5.885 479 1HD1 LEU 58 1HD1 LEU 58 -9.504 -8.532 5.437 480 2HD1 LEU 58 2HD1 LEU 58 -9.747 -7.815 3.846 481 3HD1 LEU 58 3HD1 LEU 58 -10.508 -9.355 4.244 482 1HD2 LEU 58 1HD2 LEU 58 -11.051 -6.463 6.903 483 2HD2 LEU 58 2HD2 LEU 58 -11.675 -5.543 5.537 484 3HD2 LEU 58 3HD2 LEU 58 -10.001 -6.099 5.536 485 H SER 59 H SER 59 -9.442 -7.114 2.151 486 HA SER 59 HA SER 59 -9.985 -7.610 -0.577 487 1HB SER 59 2HB SER 59 -7.731 -7.767 -0.391 488 2HB SER 59 1HB SER 59 -7.823 -8.258 1.292 489 HG SER 59 HG SER 59 -8.479 -9.962 -0.877 490 H ARG 60 H ARG 60 -10.359 -9.625 -1.718 491 HA ARG 60 HA ARG 60 -12.277 -11.314 -0.288 492 1HB ARG 60 2HB ARG 60 -12.420 -10.455 -2.735 493 2HB ARG 60 1HB ARG 60 -11.324 -11.784 -3.108 494 1HG ARG 60 2HG ARG 60 -12.901 -13.399 -2.177 495 2HG ARG 60 1HG ARG 60 -13.977 -12.096 -1.672 496 1HD ARG 60 2HD ARG 60 -14.397 -11.463 -3.968 497 2HD ARG 60 1HD ARG 60 -13.170 -12.590 -4.551 498 HE ARG 60 HE ARG 60 -14.729 -14.351 -4.282 499 1HH1 ARG 60 1HH2 ARG 60 -15.712 -11.455 -2.691 500 2HH1 ARG 60 2HH2 ARG 60 -17.298 -12.041 -2.315 501 1HH2 ARG 60 1HH1 ARG 60 -16.794 -15.134 -3.800 502 2HH2 ARG 60 2HH1 ARG 60 -17.910 -14.125 -2.943 503 H ASP 61 H ASP 61 -8.976 -11.424 -0.402 504 HA ASP 61 HA ASP 61 -8.912 -14.161 0.519 505 1HB ASP 61 2HB ASP 61 -9.158 -14.651 -1.868 506 2HB ASP 61 1HB ASP 61 -7.791 -13.601 -2.242 507 H ALA 62 H ALA 62 -6.320 -12.876 -1.465 508 HA ALA 62 HA ALA 62 -4.922 -11.859 0.945 509 1HB ALA 62 1HB ALA 62 -3.018 -13.260 0.673 510 2HB ALA 62 2HB ALA 62 -3.568 -13.829 -0.903 511 3HB ALA 62 3HB ALA 62 -4.405 -14.343 0.562 512 H PHE 63 H PHE 63 -2.923 -10.659 0.342 513 HA PHE 63 HA PHE 63 -2.713 -9.885 -2.505 514 1HB PHE 63 2HB PHE 63 -3.644 -8.081 -0.290 515 2HB PHE 63 1HB PHE 63 -2.648 -7.402 -1.578 516 HD1 PHE 63 1HD PHE 63 -3.518 -7.056 -3.776 517 HD2 PHE 63 2HD PHE 63 -5.806 -9.229 -0.862 518 HE1 PHE 63 1HE PHE 63 -5.495 -6.977 -5.270 519 HE2 PHE 63 2HE PHE 63 -7.784 -9.149 -2.356 520 HZ PHE 63 HZ PHE 63 -7.627 -8.023 -4.559 521 H LEU 64 H LEU 64 -0.607 -9.606 -3.022 522 HA LEU 64 HA LEU 64 1.427 -9.900 -0.948 523 1HB LEU 64 2HB LEU 64 1.499 -10.845 -3.343 524 2HB LEU 64 1HB LEU 64 1.905 -9.209 -3.853 525 HG LEU 64 HG LEU 64 3.448 -10.697 -1.711 526 1HD1 LEU 64 1HD1 LEU 64 5.164 -10.948 -3.598 527 2HD1 LEU 64 2HD1 LEU 64 3.841 -10.580 -4.705 528 3HD1 LEU 64 3HD1 LEU 64 3.756 -12.008 -3.674 529 1HD2 LEU 64 1HD2 LEU 64 5.198 -8.953 -2.679 530 2HD2 LEU 64 2HD2 LEU 64 4.008 -8.443 -1.485 531 3HD2 LEU 64 3HD2 LEU 64 3.746 -8.095 -3.194 532 H LEU 65 H LEU 65 1.962 -8.125 0.271 533 HA LEU 65 HA LEU 65 2.183 -5.517 -1.175 534 1HB LEU 65 2HB LEU 65 1.974 -5.007 1.608 535 2HB LEU 65 1HB LEU 65 0.820 -4.604 0.354 536 HG LEU 65 HG LEU 65 0.858 -7.369 1.521 537 1HD1 LEU 65 1HD1 LEU 65 0.729 -5.893 3.440 538 2HD1 LEU 65 2HD1 LEU 65 -0.895 -6.501 3.113 539 3HD1 LEU 65 3HD1 LEU 65 -0.449 -4.866 2.623 540 1HD2 LEU 65 1HD2 LEU 65 -1.540 -7.222 0.860 541 2HD2 LEU 65 2HD2 LEU 65 -0.479 -6.927 -0.516 542 3HD2 LEU 65 3HD2 LEU 65 -1.270 -5.576 0.290 543 HA PRO 66 HA PRO 66 6.430 -5.934 0.243 544 1HB PRO 66 2HB PRO 66 7.359 -3.597 -0.847 545 2HB PRO 66 1HB PRO 66 7.116 -5.079 -1.788 546 1HG PRO 66 2HG PRO 66 5.451 -2.639 -1.653 547 2HG PRO 66 1HG PRO 66 5.727 -3.743 -3.002 548 1HD PRO 66 2HD PRO 66 3.444 -3.707 -1.422 549 2HD PRO 66 1HD PRO 66 3.974 -5.080 -2.419 550 H GLN 67 H GLN 67 7.584 -5.003 2.039 551 HA GLN 67 HA GLN 67 6.516 -2.459 3.128 552 1HB GLN 67 2HB GLN 67 6.809 -4.828 4.970 553 2HB GLN 67 1HB GLN 67 5.903 -3.336 5.225 554 1HG GLN 67 2HG GLN 67 4.339 -4.014 3.408 555 2HG GLN 67 1HG GLN 67 5.213 -5.540 3.259 556 1HE2 GLN 67 1HE2 GLN 67 2.451 -5.499 4.002 557 2HE2 GLN 67 2HE2 GLN 67 2.320 -6.018 5.613 558 H CYS 68 H CYS 68 7.988 -1.339 4.400 559 HA CYS 68 HA CYS 68 10.777 -2.415 4.356 560 1HB CYS 68 2HB CYS 68 9.930 0.414 4.988 561 2HB CYS 68 1HB CYS 68 11.518 -0.156 4.474 562 H ASP 69 H ASP 69 11.992 -2.539 6.279 563 HA ASP 69 HA ASP 69 10.625 -1.748 8.812 564 1HB ASP 69 2HB ASP 69 10.162 -4.168 8.357 565 2HB ASP 69 1HB ASP 69 11.900 -4.463 8.371 566 H ARG 70 H ARG 70 12.063 -0.342 9.708 567 HA ARG 70 HA ARG 70 14.955 -0.652 9.239 568 1HB ARG 70 2HB ARG 70 13.531 1.563 9.409 569 2HB ARG 70 1HB ARG 70 13.774 1.358 11.140 570 1HG ARG 70 2HG ARG 70 15.988 1.438 9.065 571 2HG ARG 70 1HG ARG 70 15.528 2.785 10.103 572 1HD ARG 70 2HD ARG 70 16.855 0.194 10.850 573 2HD ARG 70 1HD ARG 70 17.310 1.839 11.287 574 HE ARG 70 HE ARG 70 15.411 0.163 12.716 575 1HH1 ARG 70 1HH2 ARG 70 16.329 3.366 11.831 576 2HH1 ARG 70 2HH2 ARG 70 15.589 4.103 13.213 577 1HH2 ARG 70 1HH1 ARG 70 14.438 1.107 14.526 578 2HH2 ARG 70 2HH1 ARG 70 14.517 2.824 14.738 579 H ILE 71 H ILE 71 16.228 -1.821 10.590 580 HA ILE 71 HA ILE 71 15.355 -2.151 13.435 581 HB ILE 71 HB ILE 71 16.450 -4.253 11.547 582 1HG1 ILE 71 2HG1 ILE 71 13.904 -3.584 11.739 583 2HG1 ILE 71 1HG1 ILE 71 14.361 -5.284 11.708 584 1HG2 ILE 71 1HG2 ILE 71 16.187 -4.217 14.553 585 2HG2 ILE 71 2HG2 ILE 71 17.585 -4.672 13.579 586 3HG2 ILE 71 3HG2 ILE 71 16.175 -5.729 13.646 587 1HD1 ILE 71 1HD1 ILE 71 14.147 -3.837 14.340 588 2HD1 ILE 71 2HD1 ILE 71 13.997 -5.561 14.007 589 3HD1 ILE 71 3HD1 ILE 71 12.699 -4.458 13.551 590 H LYS 72 H LYS 72 17.909 -1.564 11.159 591 HA LYS 72 HA LYS 72 19.711 -0.899 13.393 592 1HB LYS 72 2HB LYS 72 19.938 -3.422 12.600 593 2HB LYS 72 1HB LYS 72 20.867 -2.703 11.289 594 1HG LYS 72 2HG LYS 72 22.268 -1.523 13.006 595 2HG LYS 72 1HG LYS 72 21.402 -2.410 14.259 596 1HD LYS 72 2HD LYS 72 22.813 -3.805 11.976 597 2HD LYS 72 1HD LYS 72 23.629 -3.421 13.491 598 1HE LYS 72 2HE LYS 72 21.681 -4.635 14.656 599 2HE LYS 72 1HE LYS 72 21.271 -5.258 13.058 600 1HZ LYS 72 1HZ LYS 72 23.618 -6.042 12.909 601 2HZ LYS 72 2HZ LYS 72 22.683 -6.830 14.088 602 3HZ LYS 72 3HZ LYS 72 23.805 -5.639 14.545 603 H LEU 73 H LEU 73 21.866 -0.018 12.382 604 HA LEU 73 HA LEU 73 22.897 1.560 10.999 605 1HB LEU 73 2HB LEU 73 20.928 0.790 8.835 606 2HB LEU 73 1HB LEU 73 22.577 1.367 8.646 607 HG LEU 73 HG LEU 73 21.685 -1.332 9.664 608 1HD1 LEU 73 1HD1 LEU 73 21.836 -1.190 7.256 609 2HD1 LEU 73 2HD1 LEU 73 23.249 -2.072 7.832 610 3HD1 LEU 73 3HD1 LEU 73 23.401 -0.382 7.355 611 1HD2 LEU 73 1HD2 LEU 73 24.364 0.059 9.857 612 2HD2 LEU 73 2HD2 LEU 73 24.223 -1.698 9.884 613 3HD2 LEU 73 3HD2 LEU 73 23.456 -0.734 11.145 614 HA PRO 74 HA PRO 74 20.256 5.107 11.154 615 1HB PRO 74 2HB PRO 74 21.217 6.523 8.849 616 2HB PRO 74 1HB PRO 74 21.756 6.690 10.528 617 1HG PRO 74 2HG PRO 74 23.257 5.654 8.433 618 2HG PRO 74 1HG PRO 74 23.607 5.463 10.157 619 1HD PRO 74 2HD PRO 74 22.363 3.522 8.258 620 2HD PRO 74 1HD PRO 74 23.387 3.217 9.681 621 H CYS 75 H CYS 75 20.541 5.091 7.599 622 HA CYS 75 HA CYS 75 17.550 5.055 7.470 623 1HB CYS 75 2HB CYS 75 18.932 7.073 6.616 624 2HB CYS 75 1HB CYS 75 19.375 6.021 5.273 625 H HIS 76 H HIS 76 18.616 2.568 7.712 626 HA HIS 76 HA HIS 76 18.518 1.488 4.915 627 1HB HIS 76 2HB HIS 76 20.691 1.264 6.501 628 2HB HIS 76 1HB HIS 76 19.782 -0.130 7.084 629 HD1 HIS 76 1HD HIS 76 20.775 1.354 3.699 630 HD2 HIS 76 2HD HIS 76 20.188 -2.359 5.510 631 HE1 HIS 76 1HE HIS 76 21.368 -0.395 1.962 632 HE2 HIS 76 2HE HIS 76 21.013 -2.656 3.054 633 H TYR 77 H TYR 77 16.684 0.324 4.592 634 HA TYR 77 HA TYR 77 15.294 -0.795 6.992 635 1HB TYR 77 2HB TYR 77 13.975 -0.483 4.313 636 2HB TYR 77 1HB TYR 77 13.257 -0.437 5.925 637 HD1 TYR 77 1HD TYR 77 13.094 1.594 7.154 638 HD2 TYR 77 2HD TYR 77 15.399 1.447 3.534 639 HE1 TYR 77 1HE TYR 77 13.290 4.064 7.180 640 HE2 TYR 77 2HE TYR 77 15.594 3.921 3.559 641 HH TYR 77 HH TYR 77 15.042 5.793 4.598 642 H LYS 78 H LYS 78 14.056 -2.837 6.551 643 HA LYS 78 HA LYS 78 15.689 -4.667 4.839 644 1HB LYS 78 2HB LYS 78 13.778 -5.440 7.059 645 2HB LYS 78 1HB LYS 78 15.002 -6.452 6.291 646 1HG LYS 78 2HG LYS 78 15.579 -3.973 7.941 647 2HG LYS 78 1HG LYS 78 15.750 -5.633 8.510 648 1HD LYS 78 2HD LYS 78 17.298 -5.967 6.461 649 2HD LYS 78 1HD LYS 78 17.352 -4.205 6.389 650 1HE LYS 78 2HE LYS 78 19.216 -4.828 7.731 651 2HE LYS 78 1HE LYS 78 17.989 -4.274 8.870 652 1HZ LYS 78 1HZ LYS 78 18.116 -7.117 8.125 653 2HZ LYS 78 2HZ LYS 78 17.522 -6.403 9.548 654 3HZ LYS 78 3HZ LYS 78 19.197 -6.506 9.281 655 H LEU 79 H LEU 79 14.548 -6.177 3.491 656 HA LEU 79 HA LEU 79 11.968 -5.123 2.529 657 1HB LEU 79 2HB LEU 79 13.606 -5.714 0.844 658 2HB LEU 79 1HB LEU 79 13.789 -7.329 1.524 659 HG LEU 79 HG LEU 79 11.513 -7.909 0.910 660 1HD1 LEU 79 1HD1 LEU 79 10.244 -5.950 1.228 661 2HD1 LEU 79 2HD1 LEU 79 10.261 -6.128 -0.525 662 3HD1 LEU 79 3HD1 LEU 79 11.341 -4.970 0.253 663 1HD2 LEU 79 1HD2 LEU 79 13.354 -7.995 -0.828 664 2HD2 LEU 79 2HD2 LEU 79 12.762 -6.448 -1.433 665 3HD2 LEU 79 3HD2 LEU 79 11.725 -7.874 -1.491 666 H SER 80 H SER 80 10.045 -5.977 3.133 667 HA SER 80 HA SER 80 9.890 -8.831 3.930 668 1HB SER 80 2HB SER 80 10.112 -7.979 6.098 669 2HB SER 80 1HB SER 80 9.301 -6.468 5.692 670 HG SER 80 HG SER 80 7.970 -8.958 5.582 671 H SER 81 H SER 81 8.246 -9.643 2.721 672 HA SER 81 HA SER 81 5.785 -7.991 2.377 673 1HB SER 81 2HB SER 81 6.792 -9.602 0.054 674 2HB SER 81 1HB SER 81 5.765 -8.170 0.058 675 HG SER 81 HG SER 81 8.555 -8.363 0.511 676 H SER 82 H SER 82 3.884 -9.296 1.874 677 HA SER 82 HA SER 82 4.076 -12.205 1.882 678 1HB SER 82 2HB SER 82 2.941 -12.579 4.010 679 2HB SER 82 1HB SER 82 4.415 -11.659 4.300 680 HG SER 82 HG SER 82 2.811 -9.792 3.941 681 H THR 83 H THR 83 1.868 -13.186 1.794 682 HA THR 83 HA THR 83 0.003 -11.307 0.452 683 HB THR 83 HB THR 83 -0.877 -13.832 -0.107 684 HG1 THR 83 1HG THR 83 0.640 -15.170 0.356 685 1HG2 THR 83 1HG2 THR 83 -0.428 -12.041 -1.730 686 2HG2 THR 83 2HG2 THR 83 0.316 -13.553 -2.253 687 3HG2 THR 83 3HG2 THR 83 1.305 -12.290 -1.521 688 H ASN 84 H ASN 84 -1.700 -10.692 1.675 689 HA ASN 84 HA ASN 84 -3.241 -12.686 3.167 690 1HB ASN 84 2HB ASN 84 -1.516 -12.180 4.830 691 2HB ASN 84 1HB ASN 84 -1.813 -10.451 4.642 692 1HD2 ASN 84 1HD2 ASN 84 -2.634 -10.052 6.773 693 2HD2 ASN 84 2HD2 ASN 84 -4.076 -10.740 7.346 694 H THR 85 H THR 85 -5.305 -11.755 3.940 695 HA THR 85 HA THR 85 -6.368 -9.808 2.128 696 HB THR 85 HB THR 85 -7.907 -10.004 4.592 697 HG1 THR 85 1HG THR 85 -7.117 -12.443 3.391 698 1HG2 THR 85 1HG2 THR 85 -9.494 -11.186 3.002 699 2HG2 THR 85 2HG2 THR 85 -8.265 -10.998 1.755 700 3HG2 THR 85 3HG2 THR 85 -8.995 -9.575 2.499 701 H ILE 86 H ILE 86 -7.339 -7.672 2.905 702 HA ILE 86 HA ILE 86 -5.965 -6.503 5.243 703 HB ILE 86 HB ILE 86 -4.587 -5.054 4.126 704 1HG1 ILE 86 2HG1 ILE 86 -6.485 -3.836 3.045 705 2HG1 ILE 86 1HG1 ILE 86 -5.083 -3.975 1.996 706 1HG2 ILE 86 1HG2 ILE 86 -3.902 -7.222 3.269 707 2HG2 ILE 86 2HG2 ILE 86 -3.729 -6.018 1.996 708 3HG2 ILE 86 3HG2 ILE 86 -5.095 -7.129 1.975 709 1HD1 ILE 86 1HD1 ILE 86 -7.467 -4.540 1.042 710 2HD1 ILE 86 2HD1 ILE 86 -7.218 -6.083 1.853 711 3HD1 ILE 86 3HD1 ILE 86 -6.090 -5.551 0.609 712 H CYS 87 H CYS 87 -6.800 -4.251 5.671 713 HA CYS 87 HA CYS 87 -9.628 -4.003 4.718 714 1HB CYS 87 2HB CYS 87 -9.750 -4.418 7.041 715 2HB CYS 87 1HB CYS 87 -8.316 -3.459 7.381 716 H ILE 88 H ILE 88 -10.109 -2.119 3.661 717 HA ILE 88 HA ILE 88 -8.329 0.232 4.047 718 HB ILE 88 HB ILE 88 -7.238 -0.340 2.128 719 1HG1 ILE 88 2HG1 ILE 88 -9.852 0.322 0.742 720 2HG1 ILE 88 1HG1 ILE 88 -8.784 1.544 1.429 721 1HG2 ILE 88 1HG2 ILE 88 -8.144 -2.605 2.123 722 2HG2 ILE 88 2HG2 ILE 88 -8.142 -1.970 0.480 723 3HG2 ILE 88 3HG2 ILE 88 -9.644 -2.033 1.400 724 1HD1 ILE 88 1HD1 ILE 88 -7.167 -0.192 -0.156 725 2HD1 ILE 88 2HD1 ILE 88 -7.549 1.503 -0.447 726 3HD1 ILE 88 3HD1 ILE 88 -8.583 0.241 -1.114 727 H THR 89 H THR 89 -9.344 2.244 3.303 728 HA THR 89 HA THR 89 -12.319 2.016 3.329 729 HB THR 89 HB THR 89 -10.381 4.138 4.186 730 HG1 THR 89 1HG THR 89 -11.290 3.753 6.049 731 1HG2 THR 89 1HG2 THR 89 -13.223 4.540 3.262 732 2HG2 THR 89 2HG2 THR 89 -11.793 5.485 2.850 733 3HG2 THR 89 3HG2 THR 89 -12.491 5.603 4.465 734 H CYS 90 H CYS 90 -13.405 2.419 1.507 735 HA CYS 90 HA CYS 90 -12.105 4.044 -0.645 736 1HB CYS 90 2HB CYS 90 -12.159 1.494 -1.022 737 2HB CYS 90 1HB CYS 90 -13.906 1.673 -1.170 738 H VAL 91 H VAL 91 -13.578 5.330 -1.883 739 HA VAL 91 HA VAL 91 -16.128 5.867 -0.488 740 HB VAL 91 HB VAL 91 -14.428 7.670 -1.178 741 1HG1 VAL 91 1HG1 VAL 91 -14.508 6.529 -3.624 742 2HG1 VAL 91 2HG1 VAL 91 -14.127 8.233 -3.379 743 3HG1 VAL 91 3HG1 VAL 91 -15.757 7.756 -3.845 744 1HG2 VAL 91 1HG2 VAL 91 -17.388 7.668 -1.508 745 2HG2 VAL 91 2HG2 VAL 91 -16.537 9.049 -2.195 746 3HG2 VAL 91 3HG2 VAL 91 -16.368 8.675 -0.482 747 H ASN 92 H ASN 92 -17.180 7.033 -3.099 748 HA ASN 92 HA ASN 92 -18.938 5.038 -3.864 749 1HB ASN 92 2HB ASN 92 -17.740 7.289 -5.466 750 2HB ASN 92 1HB ASN 92 -18.990 6.236 -6.129 751 1HD2 ASN 92 1HD2 ASN 92 -21.153 6.631 -5.494 752 2HD2 ASN 92 2HD2 ASN 92 -21.601 7.799 -4.348 753 H GLN 93 H GLN 93 -15.745 5.633 -5.146 754 HA GLN 93 HA GLN 93 -15.280 2.880 -5.774 755 1HB GLN 93 2HB GLN 93 -15.250 3.078 -8.266 756 2HB GLN 93 1HB GLN 93 -16.871 3.232 -7.586 757 1HG GLN 93 2HG GLN 93 -16.462 5.767 -7.594 758 2HG GLN 93 1HG GLN 93 -15.067 5.427 -8.618 759 1HE2 GLN 93 1HE2 GLN 93 -18.523 4.361 -8.474 760 2HE2 GLN 93 2HE2 GLN 93 -18.787 4.518 -10.143 761 H LEU 94 H LEU 94 -13.768 4.715 -4.426 762 HA LEU 94 HA LEU 94 -11.334 4.835 -6.097 763 1HB LEU 94 2HB LEU 94 -12.663 7.257 -4.863 764 2HB LEU 94 1HB LEU 94 -10.947 7.231 -5.250 765 HG LEU 94 HG LEU 94 -12.031 6.313 -7.605 766 1HD1 LEU 94 1HD1 LEU 94 -14.020 7.458 -8.141 767 2HD1 LEU 94 2HD1 LEU 94 -13.855 8.569 -6.781 768 3HD1 LEU 94 3HD1 LEU 94 -14.316 6.892 -6.499 769 1HD2 LEU 94 1HD2 LEU 94 -11.734 8.717 -8.376 770 2HD2 LEU 94 2HD2 LEU 94 -10.348 8.025 -7.534 771 3HD2 LEU 94 3HD2 LEU 94 -11.427 9.136 -6.691 772 HA PRO 95 HA PRO 95 -10.242 3.578 -1.863 773 1HB PRO 95 2HB PRO 95 -7.794 2.520 -2.472 774 2HB PRO 95 1HB PRO 95 -9.318 1.651 -2.735 775 1HG PRO 95 2HG PRO 95 -7.580 3.053 -4.686 776 2HG PRO 95 1HG PRO 95 -8.549 1.585 -4.883 777 1HD PRO 95 2HD PRO 95 -9.295 4.096 -5.803 778 2HD PRO 95 1HD PRO 95 -10.427 2.762 -5.492 779 H ILE 96 H ILE 96 -9.354 5.004 -0.360 780 HA ILE 96 HA ILE 96 -6.997 6.609 -1.238 781 HB ILE 96 HB ILE 96 -8.027 8.620 -0.229 782 1HG1 ILE 96 2HG1 ILE 96 -10.698 8.202 -0.042 783 2HG1 ILE 96 1HG1 ILE 96 -10.137 6.604 0.441 784 1HG2 ILE 96 1HG2 ILE 96 -8.434 7.651 -2.704 785 2HG2 ILE 96 2HG2 ILE 96 -9.191 9.143 -2.154 786 3HG2 ILE 96 3HG2 ILE 96 -10.103 7.634 -2.142 787 1HD1 ILE 96 1HD1 ILE 96 -9.820 9.225 1.817 788 2HD1 ILE 96 2HD1 ILE 96 -8.487 8.084 1.961 789 3HD1 ILE 96 3HD1 ILE 96 -10.101 7.625 2.497 790 H HIS 97 H HIS 97 -8.419 4.691 1.266 791 HA HIS 97 HA HIS 97 -6.223 5.675 3.057 792 1HB HIS 97 2HB HIS 97 -9.086 5.813 3.530 793 2HB HIS 97 1HB HIS 97 -8.294 4.846 4.773 794 HD1 HIS 97 1HD HIS 97 -5.617 6.308 5.024 795 HD2 HIS 97 2HD HIS 97 -9.277 8.293 4.764 796 HE1 HIS 97 1HE HIS 97 -5.262 8.603 6.041 797 HE2 HIS 97 2HE HIS 97 -7.484 9.818 5.888 798 H PHE 98 H PHE 98 -4.978 4.087 3.837 799 HA PHE 98 HA PHE 98 -5.819 1.271 3.381 800 1HB PHE 98 2HB PHE 98 -3.632 1.804 2.502 801 2HB PHE 98 1HB PHE 98 -3.144 2.549 4.024 802 HD1 PHE 98 1HD PHE 98 -1.919 1.267 5.547 803 HD2 PHE 98 2HD PHE 98 -4.462 -0.710 2.704 804 HE1 PHE 98 1HE PHE 98 -1.111 -0.934 6.354 805 HE2 PHE 98 2HE PHE 98 -3.653 -2.911 3.513 806 HZ PHE 98 HZ PHE 98 -1.977 -3.023 5.337 807 H ALA 99 H ALA 99 -6.830 0.350 5.104 808 HA ALA 99 HA ALA 99 -6.683 1.415 7.775 809 1HB ALA 99 1HB ALA 99 -8.450 -0.181 6.548 810 2HB ALA 99 2HB ALA 99 -8.270 -0.177 8.302 811 3HB ALA 99 3HB ALA 99 -7.487 -1.426 7.338 812 H GLY 100 H GLY 100 -5.661 -1.853 6.698 813 1HA GLY 100 2HA GLY 100 -3.010 -1.631 7.770 814 2HA GLY 100 1HA GLY 100 -4.059 -2.417 8.950 815 H VAL 101 H VAL 101 -2.815 -4.390 8.653 816 HA VAL 101 HA VAL 101 -3.243 -5.743 6.018 817 HB VAL 101 HB VAL 101 -1.301 -6.375 8.263 818 1HG1 VAL 101 1HG1 VAL 101 -1.822 -7.660 5.570 819 2HG1 VAL 101 2HG1 VAL 101 -1.887 -8.424 7.158 820 3HG1 VAL 101 3HG1 VAL 101 -0.336 -7.918 6.486 821 1HG2 VAL 101 1HG2 VAL 101 0.401 -5.631 6.629 822 2HG2 VAL 101 2HG2 VAL 101 -0.735 -4.332 6.993 823 3HG2 VAL 101 3HG2 VAL 101 -0.877 -5.230 5.482 824 H GLY 102 H GLY 102 -4.411 -7.648 5.947 825 1HA GLY 102 2HA GLY 102 -5.552 -9.558 6.790 826 2HA GLY 102 1HA GLY 102 -5.087 -9.082 8.422 827 H SER 103 H SER 103 -7.440 -9.638 8.826 828 HA SER 103 HA SER 103 -9.556 -8.046 7.740 829 1HB SER 103 2HB SER 103 -10.868 -8.852 9.669 830 2HB SER 103 1HB SER 103 -9.957 -10.167 8.933 831 HG SER 103 HG SER 103 -9.895 -9.388 11.430 832 H CYS 104 H CYS 104 -10.401 -6.079 8.395 833 HA CYS 104 HA CYS 104 -8.823 -4.116 9.563 834 1HB CYS 104 2HB CYS 104 -11.441 -4.261 8.628 835 2HB CYS 104 1HB CYS 104 -11.646 -3.805 10.317 836 HA PRO 105 HA PRO 105 -8.118 -5.023 13.847 837 1HB PRO 105 2HB PRO 105 -9.300 -2.293 14.270 838 2HB PRO 105 1HB PRO 105 -7.825 -3.000 14.964 839 1HG PRO 105 2HG PRO 105 -7.756 -1.275 12.906 840 2HG PRO 105 1HG PRO 105 -6.581 -2.589 13.088 841 1HD PRO 105 2HD PRO 105 -8.735 -2.299 11.093 842 2HD PRO 105 1HD PRO 105 -7.311 -3.362 11.063 Start of MODEL 14 1 HN PCA 1 H PCA 1 -6.691 9.133 1.317 2 HA PCA 1 HA PCA 1 -8.017 11.276 1.932 3 1HB PCA 1 1HB PCA 1 -6.584 12.595 3.116 4 2HB PCA 1 2HB PCA 1 -6.007 13.145 1.560 5 1HG PCA 1 1HG PCA 1 -4.598 11.790 3.369 6 2HG PCA 1 2HG PCA 1 -4.270 11.828 1.622 7 H ASP 2 H ASP 2 -6.461 9.819 -0.511 8 HA ASP 2 HA ASP 2 -7.989 11.088 -2.539 9 1HB ASP 2 2HB ASP 2 -5.513 12.453 -1.837 10 2HB ASP 2 1HB ASP 2 -5.462 11.898 -3.509 11 H TRP 3 H TRP 3 -8.065 9.606 -4.189 12 HA TRP 3 HA TRP 3 -6.692 7.153 -4.034 13 1HB TRP 3 2HB TRP 3 -8.627 7.138 -5.366 14 2HB TRP 3 1HB TRP 3 -8.127 8.562 -6.271 15 HD1 TRP 3 HD TRP 3 -7.922 7.724 -8.656 16 HE1 TRP 3 1HE TRP 3 -6.618 5.848 -9.842 17 HE3 TRP 3 3HE TRP 3 -6.039 5.225 -4.599 18 HZ2 TRP 3 2HZ TRP 3 -5.001 3.595 -9.172 19 HZ3 TRP 3 3HZ TRP 3 -4.626 3.227 -4.911 20 HH2 TRP 3 HH TRP 3 -4.105 2.403 -7.191 21 H GLU 4 H GLU 4 -5.766 10.174 -5.567 22 HA GLU 4 HA GLU 4 -3.626 9.175 -7.174 23 1HB GLU 4 2HB GLU 4 -3.847 11.856 -5.767 24 2HB GLU 4 1HB GLU 4 -2.752 11.480 -7.098 25 1HG GLU 4 2HG GLU 4 -4.634 11.053 -8.585 26 2HG GLU 4 1HG GLU 4 -5.773 11.280 -7.257 27 H THR 5 H THR 5 -3.041 11.098 -4.221 28 HA THR 5 HA THR 5 -0.464 10.112 -3.737 29 HB THR 5 HB THR 5 -1.343 11.985 -2.468 30 HG1 THR 5 1HG THR 5 -0.473 11.412 -0.557 31 1HG2 THR 5 1HG2 THR 5 -3.083 10.098 -0.895 32 2HG2 THR 5 2HG2 THR 5 -3.694 10.884 -2.349 33 3HG2 THR 5 3HG2 THR 5 -3.162 11.856 -0.977 34 H PHE 6 H PHE 6 -3.538 8.868 -2.376 35 HA PHE 6 HA PHE 6 -2.518 6.722 -0.908 36 1HB PHE 6 2HB PHE 6 -4.964 7.442 -1.186 37 2HB PHE 6 1HB PHE 6 -4.970 6.476 -2.660 38 HD1 PHE 6 1HD PHE 6 -5.339 4.156 -2.557 39 HD2 PHE 6 2HD PHE 6 -4.174 6.279 0.991 40 HE1 PHE 6 1HE PHE 6 -5.693 2.103 -1.214 41 HE2 PHE 6 2HE PHE 6 -4.525 4.225 2.332 42 HZ PHE 6 HZ PHE 6 -5.288 2.137 1.232 43 H GLN 7 H GLN 7 -2.564 7.191 -4.346 44 HA GLN 7 HA GLN 7 -1.975 4.342 -4.882 45 1HB GLN 7 2HB GLN 7 -3.405 5.623 -6.465 46 2HB GLN 7 1HB GLN 7 -2.057 6.710 -6.780 47 1HG GLN 7 2HG GLN 7 -1.708 3.742 -7.133 48 2HG GLN 7 1HG GLN 7 -2.468 4.701 -8.403 49 1HE2 GLN 7 1HE2 GLN 7 -0.954 7.100 -8.203 50 2HE2 GLN 7 2HE2 GLN 7 0.658 6.767 -8.613 51 H LYS 8 H LYS 8 -0.339 7.330 -4.301 52 HA LYS 8 HA LYS 8 2.161 6.414 -5.579 53 1HB LYS 8 2HB LYS 8 1.699 8.879 -3.883 54 2HB LYS 8 1HB LYS 8 3.027 8.589 -5.006 55 1HG LYS 8 2HG LYS 8 0.209 8.453 -6.042 56 2HG LYS 8 1HG LYS 8 0.929 10.033 -5.753 57 1HD LYS 8 2HD LYS 8 2.508 7.984 -7.280 58 2HD LYS 8 1HD LYS 8 1.209 8.843 -8.104 59 1HE LYS 8 2HE LYS 8 3.268 10.359 -6.509 60 2HE LYS 8 1HE LYS 8 3.600 9.870 -8.170 61 1HZ LYS 8 1HZ LYS 8 1.643 11.030 -8.902 62 2HZ LYS 8 2HZ LYS 8 2.624 12.098 -8.016 63 3HZ LYS 8 3HZ LYS 8 1.229 11.434 -7.307 64 H LYS 9 H LYS 9 1.147 7.295 -2.241 65 HA LYS 9 HA LYS 9 3.654 6.202 -1.187 66 1HB LYS 9 2HB LYS 9 2.731 6.867 1.017 67 2HB LYS 9 1HB LYS 9 2.699 8.189 -0.148 68 1HG LYS 9 2HG LYS 9 0.283 7.372 -0.672 69 2HG LYS 9 1HG LYS 9 0.406 6.520 0.867 70 1HD LYS 9 2HD LYS 9 1.019 8.678 1.967 71 2HD LYS 9 1HD LYS 9 0.749 9.500 0.429 72 1HE LYS 9 2HE LYS 9 -1.596 8.361 0.501 73 2HE LYS 9 1HE LYS 9 -1.257 8.143 2.219 74 1HZ LYS 9 1HZ LYS 9 -2.095 10.469 0.878 75 2HZ LYS 9 2HZ LYS 9 -0.563 10.754 1.558 76 3HZ LYS 9 3HZ LYS 9 -1.849 10.235 2.540 77 H HIS 10 H HIS 10 0.183 5.348 -0.713 78 HA HIS 10 HA HIS 10 0.869 2.960 0.772 79 1HB HIS 10 2HB HIS 10 -1.682 3.938 -0.503 80 2HB HIS 10 1HB HIS 10 -1.585 2.369 0.292 81 HD1 HIS 10 1HD HIS 10 -0.898 2.405 2.877 82 HD2 HIS 10 2HD HIS 10 -1.867 6.118 1.244 83 HE1 HIS 10 1HE HIS 10 -1.283 3.971 4.833 84 HE2 HIS 10 2HE HIS 10 -1.874 6.232 3.849 85 H LEU 11 H LEU 11 0.898 3.605 -2.607 86 HA LEU 11 HA LEU 11 0.993 0.640 -3.109 87 1HB LEU 11 2HB LEU 11 -0.429 2.825 -4.562 88 2HB LEU 11 1HB LEU 11 0.302 1.558 -5.539 89 HG LEU 11 HG LEU 11 -0.896 -0.142 -4.177 90 1HD1 LEU 11 1HD1 LEU 11 -1.789 2.337 -2.752 91 2HD1 LEU 11 2HD1 LEU 11 -1.405 0.747 -2.102 92 3HD1 LEU 11 3HD1 LEU 11 -2.944 1.013 -2.910 93 1HD2 LEU 11 1HD2 LEU 11 -1.825 0.769 -6.304 94 2HD2 LEU 11 2HD2 LEU 11 -2.720 1.963 -5.363 95 3HD2 LEU 11 3HD2 LEU 11 -3.077 0.246 -5.177 96 H THR 12 H THR 12 2.491 -0.046 -4.718 97 HA THR 12 HA THR 12 4.468 2.027 -5.583 98 HB THR 12 HB THR 12 5.552 0.942 -3.740 99 HG1 THR 12 1HG THR 12 6.714 -0.646 -5.616 100 1HG2 THR 12 1HG2 THR 12 5.599 -1.798 -4.679 101 2HG2 THR 12 2HG2 THR 12 3.937 -1.267 -4.432 102 3HG2 THR 12 3HG2 THR 12 5.098 -1.175 -3.111 103 H ASP 13 H ASP 13 6.140 0.284 -7.039 104 HA ASP 13 HA ASP 13 4.222 -0.756 -9.097 105 1HB ASP 13 2HB ASP 13 6.892 0.628 -9.446 106 2HB ASP 13 1HB ASP 13 6.013 -0.159 -10.758 107 H THR 14 H THR 14 5.979 -2.072 -6.801 108 HA THR 14 HA THR 14 6.591 -4.433 -8.420 109 HB THR 14 HB THR 14 8.611 -3.030 -8.776 110 HG1 THR 14 1HG THR 14 10.030 -4.685 -7.570 111 1HG2 THR 14 1HG2 THR 14 10.044 -2.455 -6.912 112 2HG2 THR 14 2HG2 THR 14 8.995 -3.315 -5.786 113 3HG2 THR 14 3HG2 THR 14 8.426 -1.842 -6.571 114 H LYS 15 H LYS 15 7.125 -6.287 -7.083 115 HA LYS 15 HA LYS 15 5.833 -6.198 -4.481 116 1HB LYS 15 2HB LYS 15 6.348 -8.574 -4.370 117 2HB LYS 15 1HB LYS 15 5.781 -8.197 -5.996 118 1HG LYS 15 2HG LYS 15 8.252 -7.895 -6.618 119 2HG LYS 15 1HG LYS 15 8.621 -8.675 -5.079 120 1HD LYS 15 2HD LYS 15 6.853 -9.877 -7.230 121 2HD LYS 15 1HD LYS 15 8.550 -10.289 -6.985 122 1HE LYS 15 2HE LYS 15 7.889 -10.830 -4.555 123 2HE LYS 15 1HE LYS 15 6.222 -10.789 -5.128 124 1HZ LYS 15 1HZ LYS 15 8.269 -12.767 -5.568 125 2HZ LYS 15 2HZ LYS 15 7.446 -12.312 -6.984 126 3HZ LYS 15 3HZ LYS 15 6.582 -12.915 -5.651 127 H LYS 16 H LYS 16 9.081 -5.881 -5.663 128 HA LYS 16 HA LYS 16 10.113 -5.935 -2.848 129 1HB LYS 16 2HB LYS 16 12.369 -6.161 -4.256 130 2HB LYS 16 1HB LYS 16 11.385 -7.579 -3.889 131 1HG LYS 16 2HG LYS 16 10.524 -7.719 -6.049 132 2HG LYS 16 1HG LYS 16 10.782 -6.005 -6.376 133 1HD LYS 16 2HD LYS 16 13.095 -6.296 -6.727 134 2HD LYS 16 1HD LYS 16 13.106 -7.873 -5.936 135 1HE LYS 16 2HE LYS 16 11.914 -8.888 -7.761 136 2HE LYS 16 1HE LYS 16 11.586 -7.318 -8.495 137 1HZ LYS 16 1HZ LYS 16 13.986 -8.930 -8.575 138 2HZ LYS 16 2HZ LYS 16 14.255 -7.276 -8.295 139 3HZ LYS 16 3HZ LYS 16 13.412 -7.779 -9.682 140 H VAL 17 H VAL 17 9.100 -3.621 -3.074 141 HA VAL 17 HA VAL 17 10.153 -1.617 -4.728 142 HB VAL 17 HB VAL 17 9.605 -0.020 -2.933 143 1HG1 VAL 17 1HG1 VAL 17 7.291 -0.400 -2.966 144 2HG1 VAL 17 2HG1 VAL 17 7.491 -2.150 -2.909 145 3HG1 VAL 17 3HG1 VAL 17 7.865 -1.272 -4.387 146 1HG2 VAL 17 1HG2 VAL 17 8.608 -1.084 -0.810 147 2HG2 VAL 17 2HG2 VAL 17 10.365 -1.107 -0.959 148 3HG2 VAL 17 3HG2 VAL 17 9.432 -2.562 -1.306 149 H LYS 18 H LYS 18 11.633 0.166 -4.004 150 HA LYS 18 HA LYS 18 14.099 -1.055 -2.886 151 1HB LYS 18 2HB LYS 18 15.213 1.009 -3.805 152 2HB LYS 18 1HB LYS 18 14.438 0.022 -5.040 153 1HG LYS 18 2HG LYS 18 12.810 2.196 -3.769 154 2HG LYS 18 1HG LYS 18 14.049 2.668 -4.926 155 1HD LYS 18 2HD LYS 18 12.227 0.421 -5.685 156 2HD LYS 18 1HD LYS 18 11.569 2.056 -5.704 157 1HE LYS 18 2HE LYS 18 12.693 1.144 -7.873 158 2HE LYS 18 1HE LYS 18 13.080 2.783 -7.349 159 1HZ LYS 18 1HZ LYS 18 15.140 1.851 -7.750 160 2HZ LYS 18 2HZ LYS 18 14.706 0.334 -7.123 161 3HZ LYS 18 3HZ LYS 18 14.975 1.643 -6.075 162 H CYS 19 H CYS 19 12.638 -0.848 -0.843 163 HA CYS 19 HA CYS 19 11.787 1.285 0.527 164 1HB CYS 19 2HB CYS 19 13.740 -0.782 1.562 165 2HB CYS 19 1HB CYS 19 12.875 0.350 2.602 166 H ASP 20 H ASP 20 15.201 0.746 -0.237 167 HA ASP 20 HA ASP 20 16.407 2.679 1.412 168 1HB ASP 20 2HB ASP 20 17.766 1.196 0.057 169 2HB ASP 20 1HB ASP 20 17.089 1.867 -1.428 170 H VAL 21 H VAL 21 14.851 3.075 -1.751 171 HA VAL 21 HA VAL 21 15.074 6.032 -1.444 172 HB VAL 21 HB VAL 21 13.922 4.810 -3.903 173 1HG1 VAL 21 1HG1 VAL 21 14.843 6.682 -4.946 174 2HG1 VAL 21 2HG1 VAL 21 16.158 6.811 -3.779 175 3HG1 VAL 21 3HG1 VAL 21 14.531 7.316 -3.331 176 1HG2 VAL 21 1HG2 VAL 21 15.746 3.252 -3.464 177 2HG2 VAL 21 2HG2 VAL 21 16.850 4.589 -3.146 178 3HG2 VAL 21 3HG2 VAL 21 16.222 4.333 -4.774 179 H GLU 22 H GLU 22 12.779 3.355 -1.775 180 HA GLU 22 HA GLU 22 10.388 4.812 -2.114 181 1HB GLU 22 2HB GLU 22 11.084 2.143 -1.504 182 2HB GLU 22 1HB GLU 22 10.010 2.651 -0.204 183 1HG GLU 22 2HG GLU 22 9.449 2.675 -3.182 184 2HG GLU 22 1HG GLU 22 8.613 1.752 -1.935 185 H MET 23 H MET 23 12.616 4.893 0.422 186 HA MET 23 HA MET 23 10.632 6.260 2.210 187 1HB MET 23 2HB MET 23 13.041 4.586 2.984 188 2HB MET 23 1HB MET 23 12.045 5.502 4.116 189 1HG MET 23 2HG MET 23 10.100 4.171 3.587 190 2HG MET 23 1HG MET 23 10.949 3.367 2.268 191 1HE MET 23 1HE MET 23 10.861 4.351 5.779 192 2HE MET 23 2HE MET 23 11.683 3.123 6.737 193 3HE MET 23 3HE MET 23 10.053 2.821 6.147 194 H ALA 24 H ALA 24 14.097 6.061 1.321 195 HA ALA 24 HA ALA 24 14.796 8.539 2.599 196 1HB ALA 24 1HB ALA 24 16.412 6.738 1.860 197 2HB ALA 24 2HB ALA 24 16.878 8.374 1.396 198 3HB ALA 24 3HB ALA 24 16.164 7.289 0.203 199 H LYS 25 H LYS 25 12.672 8.062 0.167 200 HA LYS 25 HA LYS 25 13.343 9.931 -1.854 201 1HB LYS 25 2HB LYS 25 10.816 8.759 -0.783 202 2HB LYS 25 1HB LYS 25 10.653 10.196 -1.784 203 1HG LYS 25 2HG LYS 25 11.312 9.121 -3.692 204 2HG LYS 25 1HG LYS 25 12.499 8.133 -2.851 205 1HD LYS 25 2HD LYS 25 10.952 6.509 -3.385 206 2HD LYS 25 1HD LYS 25 10.325 7.001 -1.812 207 1HE LYS 25 2HE LYS 25 9.367 7.954 -4.527 208 2HE LYS 25 1HE LYS 25 8.481 6.936 -3.392 209 1HZ LYS 25 1HZ LYS 25 9.209 9.126 -1.932 210 2HZ LYS 25 2HZ LYS 25 7.667 8.811 -2.570 211 3HZ LYS 25 3HZ LYS 25 8.766 9.774 -3.435 212 H ALA 26 H ALA 26 11.212 11.827 -1.786 213 HA ALA 26 HA ALA 26 12.178 13.619 0.404 214 1HB ALA 26 1HB ALA 26 12.556 14.397 -1.929 215 2HB ALA 26 2HB ALA 26 11.480 15.469 -1.034 216 3HB ALA 26 3HB ALA 26 10.815 14.335 -2.209 217 H LEU 27 H LEU 27 9.433 11.854 -0.699 218 HA LEU 27 HA LEU 27 7.544 13.656 0.713 219 1HB LEU 27 2HB LEU 27 5.827 12.566 -0.399 220 2HB LEU 27 1HB LEU 27 7.140 12.342 -1.546 221 HG LEU 27 HG LEU 27 7.592 10.125 -0.221 222 1HD1 LEU 27 1HD1 LEU 27 6.175 9.773 1.510 223 2HD1 LEU 27 2HD1 LEU 27 4.924 9.476 0.310 224 3HD1 LEU 27 3HD1 LEU 27 5.108 11.083 1.008 225 1HD2 LEU 27 1HD2 LEU 27 5.108 10.368 -1.947 226 2HD2 LEU 27 2HD2 LEU 27 6.106 8.930 -1.736 227 3HD2 LEU 27 3HD2 LEU 27 6.754 10.338 -2.578 228 H PHE 28 H PHE 28 9.604 11.166 1.515 229 HA PHE 28 HA PHE 28 7.875 10.334 3.823 230 1HB PHE 28 2HB PHE 28 10.036 8.857 2.314 231 2HB PHE 28 1HB PHE 28 9.478 8.338 3.901 232 HD1 PHE 28 1HD PHE 28 8.909 8.113 0.400 233 HD2 PHE 28 2HD PHE 28 6.882 8.095 4.187 234 HE1 PHE 28 1HE PHE 28 6.968 6.979 -0.644 235 HE2 PHE 28 2HE PHE 28 4.940 6.960 3.142 236 HZ PHE 28 HZ PHE 28 4.985 6.401 0.726 237 H ASP 29 H ASP 29 11.188 11.159 2.811 238 HA ASP 29 HA ASP 29 12.815 12.368 4.015 239 1HB ASP 29 2HB ASP 29 10.608 13.222 5.267 240 2HB ASP 29 1HB ASP 29 11.268 12.238 6.574 241 H CYS 30 H CYS 30 13.017 9.632 3.685 242 HA CYS 30 HA CYS 30 13.947 7.676 4.618 243 1HB CYS 30 2HB CYS 30 15.900 9.147 4.578 244 2HB CYS 30 1HB CYS 30 15.436 9.843 6.130 245 H LYS 31 H LYS 31 11.592 7.700 5.729 246 HA LYS 31 HA LYS 31 11.406 8.205 8.539 247 1HB LYS 31 2HB LYS 31 9.894 6.043 7.057 248 2HB LYS 31 1HB LYS 31 9.372 6.943 8.477 249 1HG LYS 31 2HG LYS 31 10.037 8.546 6.047 250 2HG LYS 31 1HG LYS 31 8.566 7.581 5.977 251 1HD LYS 31 2HD LYS 31 9.238 9.550 8.182 252 2HD LYS 31 1HD LYS 31 8.171 9.891 6.823 253 1HE LYS 31 2HE LYS 31 7.088 7.552 7.756 254 2HE LYS 31 1HE LYS 31 7.657 8.288 9.254 255 1HZ LYS 31 1HZ LYS 31 6.051 9.791 9.169 256 2HZ LYS 31 2HZ LYS 31 5.358 8.904 7.896 257 3HZ LYS 31 3HZ LYS 31 6.405 10.201 7.561 258 H LYS 32 H LYS 32 10.366 5.434 9.146 259 HA LYS 32 HA LYS 32 12.946 3.942 9.341 260 1HB LYS 32 2HB LYS 32 12.403 3.365 11.689 261 2HB LYS 32 1HB LYS 32 12.620 5.102 11.484 262 1HG LYS 32 2HG LYS 32 10.179 5.402 11.340 263 2HG LYS 32 1HG LYS 32 9.948 3.664 11.527 264 1HD LYS 32 2HD LYS 32 11.296 5.468 13.559 265 2HD LYS 32 1HD LYS 32 9.641 4.870 13.675 266 1HE LYS 32 2HE LYS 32 10.710 3.245 14.924 267 2HE LYS 32 1HE LYS 32 10.866 2.513 13.327 268 1HZ LYS 32 1HZ LYS 32 13.013 4.030 13.316 269 2HZ LYS 32 2HZ LYS 32 13.022 2.458 13.962 270 3HZ LYS 32 3HZ LYS 32 12.888 3.803 14.992 271 H THR 33 H THR 33 9.432 3.938 9.317 272 HA THR 33 HA THR 33 9.503 1.066 8.511 273 HB THR 33 HB THR 33 7.378 2.218 10.337 274 HG1 THR 33 1HG THR 33 8.869 0.482 11.612 275 1HG2 THR 33 1HG2 THR 33 8.184 -0.640 9.741 276 2HG2 THR 33 2HG2 THR 33 6.855 0.200 8.941 277 3HG2 THR 33 3HG2 THR 33 6.787 -0.106 10.677 278 H ASN 34 H ASN 34 7.905 0.545 6.938 279 HA ASN 34 HA ASN 34 5.876 2.525 6.207 280 1HB ASN 34 2HB ASN 34 8.404 2.172 4.627 281 2HB ASN 34 1HB ASN 34 6.900 2.514 3.774 282 1HD2 ASN 34 1HD2 ASN 34 5.794 4.578 4.273 283 2HD2 ASN 34 2HD2 ASN 34 6.650 5.862 4.980 284 H THR 35 H THR 35 4.383 1.700 4.658 285 HA THR 35 HA THR 35 4.757 -1.145 3.844 286 HB THR 35 HB THR 35 2.262 -0.003 5.141 287 HG1 THR 35 1HG THR 35 4.169 -0.557 6.468 288 1HG2 THR 35 1HG2 THR 35 1.616 -2.481 5.079 289 2HG2 THR 35 2HG2 THR 35 2.932 -2.684 3.923 290 3HG2 THR 35 3HG2 THR 35 1.577 -1.622 3.539 291 H PHE 36 H PHE 36 3.475 -1.720 1.965 292 HA PHE 36 HA PHE 36 1.927 0.417 0.642 293 1HB PHE 36 2HB PHE 36 3.972 -0.741 -1.172 294 2HB PHE 36 1HB PHE 36 3.341 0.898 -1.100 295 HD1 PHE 36 1HD PHE 36 5.472 -1.459 0.876 296 HD2 PHE 36 2HD PHE 36 4.722 2.596 -0.286 297 HE1 PHE 36 1HE PHE 36 7.534 -0.752 2.044 298 HE2 PHE 36 2HE PHE 36 6.781 3.313 0.891 299 HZ PHE 36 HZ PHE 36 8.191 1.637 2.045 300 H ILE 37 H ILE 37 1.211 -0.579 -1.652 301 HA ILE 37 HA ILE 37 0.697 -3.496 -1.218 302 HB ILE 37 HB ILE 37 -1.201 -1.497 -2.459 303 1HG1 ILE 37 2HG1 ILE 37 -1.644 -2.826 0.206 304 2HG1 ILE 37 1HG1 ILE 37 -0.650 -1.377 0.128 305 1HG2 ILE 37 1HG2 ILE 37 -1.463 -4.403 -1.650 306 2HG2 ILE 37 2HG2 ILE 37 -1.551 -3.745 -3.284 307 3HG2 ILE 37 3HG2 ILE 37 -2.825 -3.386 -2.119 308 1HD1 ILE 37 1HD1 ILE 37 -2.435 -0.031 -0.211 309 2HD1 ILE 37 2HD1 ILE 37 -3.396 -1.397 0.351 310 3HD1 ILE 37 3HD1 ILE 37 -3.167 -1.135 -1.377 311 H TYR 38 H TYR 38 1.056 -4.820 -2.941 312 HA TYR 38 HA TYR 38 2.151 -3.525 -5.393 313 1HB TYR 38 2HB TYR 38 3.544 -5.271 -4.410 314 2HB TYR 38 1HB TYR 38 2.193 -6.402 -4.432 315 HD1 TYR 38 1HD TYR 38 3.839 -4.051 -6.863 316 HD2 TYR 38 2HD TYR 38 2.253 -7.978 -6.139 317 HE1 TYR 38 1HE TYR 38 4.417 -4.713 -9.181 318 HE2 TYR 38 2HE TYR 38 2.835 -8.639 -8.457 319 HH TYR 38 HH TYR 38 3.213 -7.496 -10.653 320 H ALA 39 H ALA 39 0.323 -2.936 -6.584 321 HA ALA 39 HA ALA 39 -1.189 -5.174 -7.777 322 1HB ALA 39 1HB ALA 39 -2.431 -4.388 -5.680 323 2HB ALA 39 2HB ALA 39 -3.357 -4.372 -7.180 324 3HB ALA 39 3HB ALA 39 -2.701 -2.869 -6.532 325 H LEU 40 H LEU 40 -2.182 -4.560 -9.790 326 HA LEU 40 HA LEU 40 -0.862 -2.290 -11.056 327 1HB LEU 40 2HB LEU 40 -1.414 -3.283 -13.049 328 2HB LEU 40 1HB LEU 40 -1.588 -4.687 -12.004 329 HG LEU 40 HG LEU 40 -4.081 -3.755 -11.763 330 1HD1 LEU 40 1HD1 LEU 40 -4.866 -2.574 -13.646 331 2HD1 LEU 40 2HD1 LEU 40 -3.439 -2.963 -14.601 332 3HD1 LEU 40 3HD1 LEU 40 -3.331 -1.784 -13.298 333 1HD2 LEU 40 1HD2 LEU 40 -3.586 -5.970 -12.592 334 2HD2 LEU 40 2HD2 LEU 40 -2.944 -5.317 -14.098 335 3HD2 LEU 40 3HD2 LEU 40 -4.669 -5.201 -13.752 336 HA PRO 41 HA PRO 41 -3.616 1.048 -10.291 337 1HB PRO 41 2HB PRO 41 -3.875 1.276 -13.257 338 2HB PRO 41 1HB PRO 41 -3.457 2.517 -12.061 339 1HG PRO 41 2HG PRO 41 -1.650 1.256 -13.673 340 2HG PRO 41 1HG PRO 41 -1.258 2.001 -12.117 341 1HD PRO 41 2HD PRO 41 -1.249 -0.827 -12.822 342 2HD PRO 41 1HD PRO 41 -0.680 -0.053 -11.328 343 H GLY 42 H GLY 42 -4.728 -0.713 -13.206 344 1HA GLY 42 2HA GLY 42 -7.478 -0.126 -12.900 345 2HA GLY 42 1HA GLY 42 -6.862 -1.529 -13.767 346 H ARG 43 H ARG 43 -5.605 -2.837 -11.581 347 HA ARG 43 HA ARG 43 -7.788 -4.292 -10.487 348 1HB ARG 43 2HB ARG 43 -5.570 -5.282 -10.687 349 2HB ARG 43 1HB ARG 43 -4.912 -4.101 -9.553 350 1HG ARG 43 2HG ARG 43 -6.124 -5.012 -7.728 351 2HG ARG 43 1HG ARG 43 -7.196 -5.924 -8.790 352 1HD ARG 43 2HD ARG 43 -4.220 -6.437 -8.725 353 2HD ARG 43 1HD ARG 43 -5.326 -7.247 -7.615 354 HE ARG 43 HE ARG 43 -5.009 -7.858 -10.427 355 1HH1 ARG 43 1HH2 ARG 43 -7.223 -7.656 -7.793 356 2HH1 ARG 43 2HH2 ARG 43 -8.302 -8.849 -8.433 357 1HH2 ARG 43 1HH1 ARG 43 -6.406 -9.419 -11.280 358 2HH2 ARG 43 2HH1 ARG 43 -7.840 -9.847 -10.408 359 H VAL 44 H VAL 44 -6.042 -1.472 -9.283 360 HA VAL 44 HA VAL 44 -7.129 -1.700 -6.592 361 HB VAL 44 HB VAL 44 -6.199 0.950 -7.598 362 1HG1 VAL 44 1HG1 VAL 44 -5.224 1.089 -5.445 363 2HG1 VAL 44 2HG1 VAL 44 -5.229 -0.662 -5.235 364 3HG1 VAL 44 3HG1 VAL 44 -6.744 0.238 -5.174 365 1HG2 VAL 44 1HG2 VAL 44 -4.662 -0.410 -8.825 366 2HG2 VAL 44 2HG2 VAL 44 -4.475 -1.535 -7.481 367 3HG2 VAL 44 3HG2 VAL 44 -3.804 0.093 -7.370 368 H LYS 45 H LYS 45 -7.743 0.653 -9.239 369 HA LYS 45 HA LYS 45 -10.055 1.774 -7.946 370 1HB LYS 45 2HB LYS 45 -10.587 2.698 -10.205 371 2HB LYS 45 1HB LYS 45 -8.916 3.000 -9.728 372 1HG LYS 45 2HG LYS 45 -8.236 0.964 -11.011 373 2HG LYS 45 1HG LYS 45 -9.896 0.812 -11.583 374 1HD LYS 45 2HD LYS 45 -8.270 3.338 -11.958 375 2HD LYS 45 1HD LYS 45 -8.287 2.039 -13.148 376 1HE LYS 45 2HE LYS 45 -9.987 3.444 -13.932 377 2HE LYS 45 1HE LYS 45 -10.895 2.271 -12.984 378 1HZ LYS 45 1HZ LYS 45 -11.390 3.786 -11.420 379 2HZ LYS 45 2HZ LYS 45 -11.095 4.905 -12.665 380 3HZ LYS 45 3HZ LYS 45 -9.885 4.563 -11.521 381 H ALA 46 H ALA 46 -9.508 -1.125 -9.703 382 HA ALA 46 HA ALA 46 -12.248 -1.569 -10.559 383 1HB ALA 46 1HB ALA 46 -10.524 -2.739 -11.752 384 2HB ALA 46 2HB ALA 46 -11.397 -3.961 -10.829 385 3HB ALA 46 3HB ALA 46 -9.838 -3.374 -10.257 386 H LEU 47 H LEU 47 -10.281 -2.506 -7.757 387 HA LEU 47 HA LEU 47 -12.331 -4.199 -6.604 388 1HB LEU 47 2HB LEU 47 -9.655 -3.815 -6.120 389 2HB LEU 47 1HB LEU 47 -10.372 -2.958 -4.758 390 HG LEU 47 HG LEU 47 -11.037 -5.811 -5.555 391 1HD1 LEU 47 1HD1 LEU 47 -8.710 -5.431 -4.639 392 2HD1 LEU 47 2HD1 LEU 47 -9.717 -6.494 -3.655 393 3HD1 LEU 47 3HD1 LEU 47 -9.461 -4.820 -3.165 394 1HD2 LEU 47 1HD2 LEU 47 -12.046 -5.749 -3.191 395 2HD2 LEU 47 2HD2 LEU 47 -12.924 -4.868 -4.441 396 3HD2 LEU 47 3HD2 LEU 47 -11.906 -3.994 -3.297 397 H CYS 48 H CYS 48 -12.217 -0.902 -7.051 398 HA CYS 48 HA CYS 48 -13.816 -0.352 -4.578 399 1HB CYS 48 2HB CYS 48 -11.943 1.278 -6.231 400 2HB CYS 48 1HB CYS 48 -13.347 2.114 -5.572 401 H LYS 49 H LYS 49 -14.020 -0.865 -7.912 402 HA LYS 49 HA LYS 49 -16.159 0.926 -8.590 403 1HB LYS 49 2HB LYS 49 -14.994 -1.581 -9.742 404 2HB LYS 49 1HB LYS 49 -16.579 -1.067 -10.321 405 1HG LYS 49 2HG LYS 49 -15.657 1.156 -10.876 406 2HG LYS 49 1HG LYS 49 -14.072 0.641 -10.299 407 1HD LYS 49 2HD LYS 49 -14.054 -1.162 -12.002 408 2HD LYS 49 1HD LYS 49 -15.613 -0.595 -12.600 409 1HE LYS 49 2HE LYS 49 -14.551 1.656 -13.003 410 2HE LYS 49 1HE LYS 49 -12.995 0.929 -12.605 411 1HZ LYS 49 1HZ LYS 49 -14.507 0.753 -15.015 412 2HZ LYS 49 2HZ LYS 49 -14.127 -0.788 -14.409 413 3HZ LYS 49 3HZ LYS 49 -12.890 0.332 -14.727 414 H ASN 50 H ASN 50 -18.435 0.266 -8.938 415 HA ASN 50 HA ASN 50 -20.434 -0.795 -8.308 416 1HB ASN 50 2HB ASN 50 -18.938 -2.910 -6.787 417 2HB ASN 50 1HB ASN 50 -20.416 -3.050 -7.736 418 1HD2 ASN 50 1HD2 ASN 50 -17.519 -4.328 -7.878 419 2HD2 ASN 50 2HD2 ASN 50 -17.161 -4.228 -9.534 420 H ILE 51 H ILE 51 -17.893 -0.120 -6.018 421 HA ILE 51 HA ILE 51 -19.286 -0.429 -3.575 422 HB ILE 51 HB ILE 51 -17.247 1.661 -4.393 423 1HG1 ILE 51 2HG1 ILE 51 -16.464 -0.673 -4.566 424 2HG1 ILE 51 1HG1 ILE 51 -15.659 0.158 -3.236 425 1HG2 ILE 51 1HG2 ILE 51 -18.481 0.988 -1.733 426 2HG2 ILE 51 2HG2 ILE 51 -18.185 2.573 -2.448 427 3HG2 ILE 51 3HG2 ILE 51 -16.839 1.624 -1.823 428 1HD1 ILE 51 1HD1 ILE 51 -16.264 -1.774 -2.137 429 2HD1 ILE 51 2HD1 ILE 51 -17.670 -2.046 -3.164 430 3HD1 ILE 51 3HD1 ILE 51 -17.743 -0.852 -1.869 431 H ARG 52 H ARG 52 -19.902 1.722 -2.247 432 HA ARG 52 HA ARG 52 -21.689 3.353 -4.011 433 1HB ARG 52 2HB ARG 52 -22.848 1.595 -2.573 434 2HB ARG 52 1HB ARG 52 -22.344 2.546 -1.176 435 1HG ARG 52 2HG ARG 52 -23.439 4.552 -2.349 436 2HG ARG 52 1HG ARG 52 -24.188 3.371 -3.424 437 1HD ARG 52 2HD ARG 52 -24.598 3.764 -0.470 438 2HD ARG 52 1HD ARG 52 -25.804 3.593 -1.746 439 HE ARG 52 HE ARG 52 -24.463 1.155 -1.730 440 1HH1 ARG 52 1HH2 ARG 52 -26.125 3.148 0.539 441 2HH1 ARG 52 2HH2 ARG 52 -26.674 1.820 1.506 442 1HH2 ARG 52 1HH1 ARG 52 -25.169 -0.590 -0.480 443 2HH2 ARG 52 2HH1 ARG 52 -26.132 -0.296 0.929 444 H ASP 53 H ASP 53 -19.790 3.285 -1.015 445 HA ASP 53 HA ASP 53 -19.062 6.069 -1.334 446 1HB ASP 53 2HB ASP 53 -20.227 6.990 0.596 447 2HB ASP 53 1HB ASP 53 -21.408 6.315 -0.527 448 H ASN 54 H ASN 54 -18.611 6.658 1.374 449 HA ASN 54 HA ASN 54 -16.124 5.317 1.819 450 1HB ASN 54 2HB ASN 54 -16.080 6.519 3.955 451 2HB ASN 54 1HB ASN 54 -16.635 7.592 2.669 452 1HD2 ASN 54 1HD2 ASN 54 -19.328 6.792 2.410 453 2HD2 ASN 54 2HD2 ASN 54 -20.153 7.117 3.857 454 H THR 55 H THR 55 -16.065 3.175 2.281 455 HA THR 55 HA THR 55 -17.453 2.233 4.705 456 HB THR 55 HB THR 55 -17.777 0.310 2.500 457 HG1 THR 55 1HG THR 55 -19.571 2.443 2.431 458 1HG2 THR 55 1HG2 THR 55 -19.903 -0.041 3.524 459 2HG2 THR 55 2HG2 THR 55 -19.863 1.538 4.309 460 3HG2 THR 55 3HG2 THR 55 -18.778 0.258 4.849 461 H ASP 56 H ASP 56 -16.522 0.200 5.470 462 HA ASP 56 HA ASP 56 -13.697 -0.049 4.686 463 1HB ASP 56 2HB ASP 56 -13.644 -1.723 6.574 464 2HB ASP 56 1HB ASP 56 -14.161 -0.107 7.054 465 H VAL 57 H VAL 57 -13.146 -1.382 3.050 466 HA VAL 57 HA VAL 57 -14.914 -3.707 2.441 467 HB VAL 57 HB VAL 57 -13.966 -3.696 0.238 468 1HG1 VAL 57 1HG1 VAL 57 -15.630 -1.906 0.774 469 2HG1 VAL 57 2HG1 VAL 57 -14.520 -1.445 -0.516 470 3HG1 VAL 57 3HG1 VAL 57 -14.290 -0.810 1.113 471 1HG2 VAL 57 1HG2 VAL 57 -11.636 -3.372 0.671 472 2HG2 VAL 57 2HG2 VAL 57 -11.930 -1.823 1.461 473 3HG2 VAL 57 3HG2 VAL 57 -12.139 -1.977 -0.283 474 H LEU 58 H LEU 58 -13.697 -5.702 1.698 475 HA LEU 58 HA LEU 58 -11.112 -6.063 3.153 476 1HB LEU 58 2HB LEU 58 -13.533 -6.988 4.115 477 2HB LEU 58 1HB LEU 58 -12.957 -8.380 3.207 478 HG LEU 58 HG LEU 58 -12.235 -8.460 5.569 479 1HD1 LEU 58 1HD1 LEU 58 -9.928 -8.987 5.149 480 2HD1 LEU 58 2HD1 LEU 58 -9.882 -7.925 3.742 481 3HD1 LEU 58 3HD1 LEU 58 -10.840 -9.406 3.701 482 1HD2 LEU 58 1HD2 LEU 58 -11.257 -6.718 6.648 483 2HD2 LEU 58 2HD2 LEU 58 -11.905 -5.737 5.335 484 3HD2 LEU 58 3HD2 LEU 58 -10.237 -6.308 5.269 485 H SER 59 H SER 59 -9.604 -7.157 1.888 486 HA SER 59 HA SER 59 -10.128 -7.738 -0.829 487 1HB SER 59 2HB SER 59 -7.864 -7.762 -0.608 488 2HB SER 59 1HB SER 59 -7.940 -8.299 1.061 489 HG SER 59 HG SER 59 -7.164 -10.033 0.031 490 H ARG 60 H ARG 60 -10.463 -9.774 -1.922 491 HA ARG 60 HA ARG 60 -12.285 -11.516 -0.442 492 1HB ARG 60 2HB ARG 60 -11.316 -11.500 -3.307 493 2HB ARG 60 1HB ARG 60 -12.452 -12.694 -2.677 494 1HG ARG 60 2HG ARG 60 -14.093 -11.036 -2.205 495 2HG ARG 60 1HG ARG 60 -12.932 -9.722 -2.398 496 1HD ARG 60 2HD ARG 60 -14.574 -10.188 -4.354 497 2HD ARG 60 1HD ARG 60 -12.868 -9.962 -4.742 498 HE ARG 60 HE ARG 60 -12.823 -12.195 -5.480 499 1HH1 ARG 60 1HH2 ARG 60 -15.440 -11.614 -3.310 500 2HH1 ARG 60 2HH2 ARG 60 -16.110 -13.201 -3.484 501 1HH2 ARG 60 1HH1 ARG 60 -13.685 -14.271 -5.718 502 2HH2 ARG 60 2HH1 ARG 60 -15.117 -14.706 -4.847 503 H ASP 61 H ASP 61 -8.969 -11.491 -0.597 504 HA ASP 61 HA ASP 61 -8.817 -14.221 0.375 505 1HB ASP 61 2HB ASP 61 -8.958 -14.721 -2.015 506 2HB ASP 61 1HB ASP 61 -7.639 -13.597 -2.349 507 H ALA 62 H ALA 62 -6.210 -12.814 -1.511 508 HA ALA 62 HA ALA 62 -4.962 -11.742 0.957 509 1HB ALA 62 1HB ALA 62 -2.965 -13.046 0.725 510 2HB ALA 62 2HB ALA 62 -3.494 -13.694 -0.826 511 3HB ALA 62 3HB ALA 62 -4.312 -14.181 0.658 512 H PHE 63 H PHE 63 -2.875 -10.591 0.401 513 HA PHE 63 HA PHE 63 -2.644 -9.720 -2.412 514 1HB PHE 63 2HB PHE 63 -3.667 -8.021 -0.171 515 2HB PHE 63 1HB PHE 63 -2.557 -7.267 -1.316 516 HD1 PHE 63 1HD PHE 63 -5.786 -9.093 -1.017 517 HD2 PHE 63 2HD PHE 63 -3.237 -6.726 -3.539 518 HE1 PHE 63 1HE PHE 63 -7.630 -8.856 -2.659 519 HE2 PHE 63 2HE PHE 63 -5.082 -6.488 -5.179 520 HZ PHE 63 HZ PHE 63 -7.277 -7.552 -4.739 521 H LEU 64 H LEU 64 -0.510 -9.509 -2.879 522 HA LEU 64 HA LEU 64 1.458 -9.820 -0.740 523 1HB LEU 64 2HB LEU 64 1.556 -10.799 -3.136 524 2HB LEU 64 1HB LEU 64 2.066 -9.188 -3.632 525 HG LEU 64 HG LEU 64 3.454 -10.648 -1.377 526 1HD1 LEU 64 1HD1 LEU 64 5.147 -11.329 -3.103 527 2HD1 LEU 64 2HD1 LEU 64 4.012 -10.816 -4.351 528 3HD1 LEU 64 3HD1 LEU 64 3.595 -12.148 -3.273 529 1HD2 LEU 64 1HD2 LEU 64 5.361 -9.175 -2.356 530 2HD2 LEU 64 2HD2 LEU 64 4.097 -8.371 -1.431 531 3HD2 LEU 64 3HD2 LEU 64 4.072 -8.311 -3.193 532 H LEU 65 H LEU 65 2.039 -8.040 0.448 533 HA LEU 65 HA LEU 65 2.322 -5.465 -1.039 534 1HB LEU 65 2HB LEU 65 2.101 -4.891 1.728 535 2HB LEU 65 1HB LEU 65 0.957 -4.502 0.460 536 HG LEU 65 HG LEU 65 0.953 -7.241 1.688 537 1HD1 LEU 65 1HD1 LEU 65 -0.368 -4.712 2.725 538 2HD1 LEU 65 2HD1 LEU 65 0.854 -5.672 3.559 539 3HD1 LEU 65 3HD1 LEU 65 -0.754 -6.340 3.282 540 1HD2 LEU 65 1HD2 LEU 65 -0.369 -6.795 -0.369 541 2HD2 LEU 65 2HD2 LEU 65 -1.162 -5.445 0.437 542 3HD2 LEU 65 3HD2 LEU 65 -1.430 -7.091 1.007 543 HA PRO 66 HA PRO 66 6.550 -5.806 0.400 544 1HB PRO 66 2HB PRO 66 7.396 -3.339 -0.449 545 2HB PRO 66 1HB PRO 66 7.206 -4.729 -1.531 546 1HG PRO 66 2HG PRO 66 5.460 -2.374 -1.167 547 2HG PRO 66 1HG PRO 66 5.766 -3.339 -2.615 548 1HD PRO 66 2HD PRO 66 3.486 -3.527 -1.043 549 2HD PRO 66 1HD PRO 66 4.061 -4.780 -2.164 550 H GLN 67 H GLN 67 7.765 -4.911 2.219 551 HA GLN 67 HA GLN 67 6.538 -2.592 3.596 552 1HB GLN 67 2HB GLN 67 5.521 -4.837 4.396 553 2HB GLN 67 1HB GLN 67 7.088 -5.121 5.151 554 1HG GLN 67 2HG GLN 67 5.505 -2.583 5.614 555 2HG GLN 67 1HG GLN 67 5.323 -4.013 6.630 556 1HE2 GLN 67 1HE2 GLN 67 6.366 -1.520 7.647 557 2HE2 GLN 67 2HE2 GLN 67 7.988 -1.772 8.078 558 H CYS 68 H CYS 68 8.105 -1.290 4.432 559 HA CYS 68 HA CYS 68 10.891 -2.352 4.468 560 1HB CYS 68 2HB CYS 68 10.014 0.507 4.909 561 2HB CYS 68 1HB CYS 68 11.605 -0.081 4.431 562 H ASP 69 H ASP 69 12.075 -2.498 6.373 563 HA ASP 69 HA ASP 69 10.796 -1.475 8.875 564 1HB ASP 69 2HB ASP 69 10.248 -3.878 8.659 565 2HB ASP 69 1HB ASP 69 11.967 -4.250 8.510 566 H ARG 70 H ARG 70 12.265 -0.071 9.704 567 HA ARG 70 HA ARG 70 15.122 -0.336 9.118 568 1HB ARG 70 2HB ARG 70 13.893 1.868 9.343 569 2HB ARG 70 1HB ARG 70 13.791 1.554 11.074 570 1HG ARG 70 2HG ARG 70 16.378 1.192 10.903 571 2HG ARG 70 1HG ARG 70 16.228 2.083 9.389 572 1HD ARG 70 2HD ARG 70 16.685 3.737 11.036 573 2HD ARG 70 1HD ARG 70 14.952 3.854 10.734 574 HE ARG 70 HE ARG 70 14.596 3.174 12.959 575 1HH1 ARG 70 1HH2 ARG 70 17.733 2.293 11.833 576 2HH1 ARG 70 2HH2 ARG 70 18.260 1.686 13.367 577 1HH2 ARG 70 1HH1 ARG 70 15.267 2.387 14.970 578 2HH2 ARG 70 2HH1 ARG 70 16.864 1.739 15.143 579 H ILE 71 H ILE 71 16.520 -1.499 10.339 580 HA ILE 71 HA ILE 71 15.884 -1.938 13.225 581 HB ILE 71 HB ILE 71 16.730 -4.055 11.225 582 1HG1 ILE 71 2HG1 ILE 71 14.290 -3.923 13.021 583 2HG1 ILE 71 1HG1 ILE 71 14.284 -3.393 11.339 584 1HG2 ILE 71 1HG2 ILE 71 17.927 -4.496 13.250 585 2HG2 ILE 71 2HG2 ILE 71 16.517 -5.554 13.283 586 3HG2 ILE 71 3HG2 ILE 71 16.532 -4.077 14.245 587 1HD1 ILE 71 1HD1 ILE 71 15.041 -5.656 10.645 588 2HD1 ILE 71 2HD1 ILE 71 13.490 -5.706 11.482 589 3HD1 ILE 71 3HD1 ILE 71 14.963 -6.178 12.328 590 H LYS 72 H LYS 72 18.269 -1.648 10.659 591 HA LYS 72 HA LYS 72 20.342 -1.171 12.749 592 1HB LYS 72 2HB LYS 72 21.982 -2.466 11.465 593 2HB LYS 72 1HB LYS 72 20.615 -3.491 11.904 594 1HG LYS 72 2HG LYS 72 19.615 -2.947 9.636 595 2HG LYS 72 1HG LYS 72 21.153 -2.192 9.222 596 1HD LYS 72 2HD LYS 72 21.513 -4.344 8.418 597 2HD LYS 72 1HD LYS 72 22.155 -4.500 10.052 598 1HE LYS 72 2HE LYS 72 20.032 -5.446 10.828 599 2HE LYS 72 1HE LYS 72 19.324 -5.217 9.229 600 1HZ LYS 72 1HZ LYS 72 21.740 -6.863 9.725 601 2HZ LYS 72 2HZ LYS 72 20.820 -6.777 8.299 602 3HZ LYS 72 3HZ LYS 72 20.169 -7.501 9.691 603 H LEU 73 H LEU 73 22.376 -0.210 11.587 604 HA LEU 73 HA LEU 73 23.258 1.588 10.393 605 1HB LEU 73 2HB LEU 73 21.660 0.000 8.560 606 2HB LEU 73 1HB LEU 73 21.600 1.694 8.090 607 HG LEU 73 HG LEU 73 24.195 1.623 8.435 608 1HD1 LEU 73 1HD1 LEU 73 23.551 -1.314 8.052 609 2HD1 LEU 73 2HD1 LEU 73 24.230 -0.595 9.511 610 3HD1 LEU 73 3HD1 LEU 73 25.165 -0.605 8.016 611 1HD2 LEU 73 1HD2 LEU 73 24.481 0.791 6.105 612 2HD2 LEU 73 2HD2 LEU 73 23.127 1.912 6.246 613 3HD2 LEU 73 3HD2 LEU 73 22.828 0.177 6.143 614 HA PRO 74 HA PRO 74 20.588 5.062 11.049 615 1HB PRO 74 2HB PRO 74 21.447 6.936 9.299 616 2HB PRO 74 1HB PRO 74 22.468 6.346 10.626 617 1HG PRO 74 2HG PRO 74 22.559 5.684 7.732 618 2HG PRO 74 1HG PRO 74 23.881 5.848 8.897 619 1HD PRO 74 2HD PRO 74 22.773 3.422 8.041 620 2HD PRO 74 1HD PRO 74 23.773 3.638 9.492 621 H CYS 75 H CYS 75 20.881 5.131 7.474 622 HA CYS 75 HA CYS 75 17.899 5.403 7.357 623 1HB CYS 75 2HB CYS 75 19.358 7.317 6.517 624 2HB CYS 75 1HB CYS 75 19.869 6.235 5.221 625 H HIS 76 H HIS 76 18.802 2.831 7.587 626 HA HIS 76 HA HIS 76 18.580 1.763 4.791 627 1HB HIS 76 2HB HIS 76 20.769 1.283 5.954 628 2HB HIS 76 1HB HIS 76 19.858 0.377 7.163 629 HD1 HIS 76 1HD HIS 76 19.617 -2.048 6.655 630 HD2 HIS 76 2HD HIS 76 20.111 0.199 3.175 631 HE1 HIS 76 1HE HIS 76 19.666 -3.701 4.735 632 HE2 HIS 76 2HE HIS 76 19.967 -2.345 2.613 633 H TYR 77 H TYR 77 17.215 -0.135 4.568 634 HA TYR 77 HA TYR 77 15.482 -0.723 6.926 635 1HB TYR 77 2HB TYR 77 14.281 -0.450 4.186 636 2HB TYR 77 1HB TYR 77 13.491 -0.347 5.758 637 HD1 TYR 77 1HD TYR 77 13.516 1.694 7.052 638 HD2 TYR 77 2HD TYR 77 15.641 1.432 3.330 639 HE1 TYR 77 1HE TYR 77 13.806 4.155 7.046 640 HE2 TYR 77 2HE TYR 77 15.932 3.898 3.323 641 HH TYR 77 HH TYR 77 15.581 5.789 4.418 642 H LYS 78 H LYS 78 14.178 -2.729 6.579 643 HA LYS 78 HA LYS 78 15.751 -4.713 4.989 644 1HB LYS 78 2HB LYS 78 15.079 -4.767 7.657 645 2HB LYS 78 1HB LYS 78 13.766 -5.707 6.951 646 1HG LYS 78 2HG LYS 78 16.720 -6.219 6.477 647 2HG LYS 78 1HG LYS 78 15.698 -7.134 7.584 648 1HD LYS 78 2HD LYS 78 14.172 -7.537 5.531 649 2HD LYS 78 1HD LYS 78 15.557 -7.011 4.573 650 1HE LYS 78 2HE LYS 78 15.542 -9.296 6.566 651 2HE LYS 78 1HE LYS 78 15.575 -9.454 4.810 652 1HZ LYS 78 1HZ LYS 78 17.670 -8.395 6.603 653 2HZ LYS 78 2HZ LYS 78 17.659 -8.025 4.945 654 3HZ LYS 78 3HZ LYS 78 17.788 -9.640 5.457 655 H LEU 79 H LEU 79 14.675 -5.964 3.457 656 HA LEU 79 HA LEU 79 12.026 -4.998 2.630 657 1HB LEU 79 2HB LEU 79 14.128 -5.734 1.161 658 2HB LEU 79 1HB LEU 79 13.384 -7.323 1.307 659 HG LEU 79 HG LEU 79 12.542 -6.282 -0.708 660 1HD1 LEU 79 1HD1 LEU 79 10.961 -7.520 0.908 661 2HD1 LEU 79 2HD1 LEU 79 10.217 -6.513 -0.335 662 3HD1 LEU 79 3HD1 LEU 79 10.337 -5.922 1.321 663 1HD2 LEU 79 1HD2 LEU 79 12.963 -3.890 0.483 664 2HD2 LEU 79 2HD2 LEU 79 11.223 -4.027 0.733 665 3HD2 LEU 79 3HD2 LEU 79 11.887 -4.088 -0.899 666 H SER 80 H SER 80 10.175 -5.936 3.319 667 HA SER 80 HA SER 80 10.116 -8.862 3.818 668 1HB SER 80 2HB SER 80 10.516 -8.127 6.040 669 2HB SER 80 1HB SER 80 9.483 -6.714 5.846 670 HG SER 80 HG SER 80 8.818 -9.401 6.267 671 H SER 81 H SER 81 8.337 -9.641 2.780 672 HA SER 81 HA SER 81 5.899 -7.923 2.638 673 1HB SER 81 2HB SER 81 5.716 -8.083 0.322 674 2HB SER 81 1HB SER 81 7.462 -7.953 0.508 675 HG SER 81 HG SER 81 7.046 -10.459 0.760 676 H SER 82 H SER 82 3.946 -9.203 2.084 677 HA SER 82 HA SER 82 4.098 -12.116 2.185 678 1HB SER 82 2HB SER 82 3.095 -12.474 4.310 679 2HB SER 82 1HB SER 82 4.365 -11.292 4.612 680 HG SER 82 HG SER 82 2.785 -10.148 5.400 681 H THR 83 H THR 83 1.890 -13.073 2.050 682 HA THR 83 HA THR 83 0.070 -11.206 0.630 683 HB THR 83 HB THR 83 -0.807 -13.732 0.076 684 HG1 THR 83 1HG THR 83 1.302 -14.784 -0.381 685 1HG2 THR 83 1HG2 THR 83 0.454 -13.494 -2.035 686 2HG2 THR 83 2HG2 THR 83 1.437 -12.232 -1.292 687 3HG2 THR 83 3HG2 THR 83 -0.287 -11.966 -1.558 688 H ASN 84 H ASN 84 -1.699 -10.593 1.761 689 HA ASN 84 HA ASN 84 -3.255 -12.563 3.266 690 1HB ASN 84 2HB ASN 84 -3.177 -11.075 5.368 691 2HB ASN 84 1HB ASN 84 -1.766 -12.087 5.055 692 1HD2 ASN 84 1HD2 ASN 84 -0.863 -10.184 6.538 693 2HD2 ASN 84 2HD2 ASN 84 -0.222 -8.855 5.699 694 H THR 85 H THR 85 -5.369 -11.671 3.895 695 HA THR 85 HA THR 85 -6.392 -9.781 2.004 696 HB THR 85 HB THR 85 -8.014 -10.000 4.421 697 HG1 THR 85 1HG THR 85 -7.704 -12.494 3.314 698 1HG2 THR 85 1HG2 THR 85 -9.523 -11.205 2.769 699 2HG2 THR 85 2HG2 THR 85 -8.262 -10.966 1.565 700 3HG2 THR 85 3HG2 THR 85 -9.050 -9.575 2.306 701 H ILE 86 H ILE 86 -7.067 -7.586 2.383 702 HA ILE 86 HA ILE 86 -5.947 -6.327 4.852 703 HB ILE 86 HB ILE 86 -4.556 -4.973 3.666 704 1HG1 ILE 86 2HG1 ILE 86 -6.815 -4.741 1.647 705 2HG1 ILE 86 1HG1 ILE 86 -6.307 -3.534 2.829 706 1HG2 ILE 86 1HG2 ILE 86 -5.271 -6.718 1.296 707 2HG2 ILE 86 2HG2 ILE 86 -4.243 -7.258 2.623 708 3HG2 ILE 86 3HG2 ILE 86 -3.733 -5.913 1.608 709 1HD1 ILE 86 1HD1 ILE 86 -5.344 -2.801 0.799 710 2HD1 ILE 86 2HD1 ILE 86 -4.870 -4.435 0.336 711 3HD1 ILE 86 3HD1 ILE 86 -4.019 -3.607 1.639 712 H CYS 87 H CYS 87 -7.119 -4.506 5.601 713 HA CYS 87 HA CYS 87 -9.826 -4.209 4.373 714 1HB CYS 87 2HB CYS 87 -9.446 -4.859 6.874 715 2HB CYS 87 1HB CYS 87 -9.028 -3.165 7.086 716 H ILE 88 H ILE 88 -10.389 -2.220 3.517 717 HA ILE 88 HA ILE 88 -8.723 0.140 4.193 718 HB ILE 88 HB ILE 88 -7.465 -0.177 2.324 719 1HG1 ILE 88 2HG1 ILE 88 -10.017 0.389 0.785 720 2HG1 ILE 88 1HG1 ILE 88 -9.089 1.633 1.621 721 1HG2 ILE 88 1HG2 ILE 88 -9.662 -1.988 1.286 722 2HG2 ILE 88 2HG2 ILE 88 -8.189 -2.501 2.103 723 3HG2 ILE 88 3HG2 ILE 88 -8.098 -1.753 0.511 724 1HD1 ILE 88 1HD1 ILE 88 -7.784 1.815 -0.198 725 2HD1 ILE 88 2HD1 ILE 88 -8.605 0.459 -0.967 726 3HD1 ILE 88 3HD1 ILE 88 -7.217 0.168 0.080 727 H THR 89 H THR 89 -9.754 2.172 3.528 728 HA THR 89 HA THR 89 -12.713 1.840 3.320 729 HB THR 89 HB THR 89 -10.917 3.947 4.457 730 HG1 THR 89 1HG THR 89 -13.439 3.076 5.337 731 1HG2 THR 89 1HG2 THR 89 -13.053 5.392 4.589 732 2HG2 THR 89 2HG2 THR 89 -13.647 4.395 3.261 733 3HG2 THR 89 3HG2 THR 89 -12.188 5.364 3.053 734 H CYS 90 H CYS 90 -13.697 2.322 1.459 735 HA CYS 90 HA CYS 90 -12.270 4.024 -0.553 736 1HB CYS 90 2HB CYS 90 -12.402 1.510 -1.046 737 2HB CYS 90 1HB CYS 90 -14.143 1.739 -1.208 738 H VAL 91 H VAL 91 -13.572 5.544 -1.630 739 HA VAL 91 HA VAL 91 -16.152 6.125 -0.353 740 HB VAL 91 HB VAL 91 -14.363 7.844 -1.020 741 1HG1 VAL 91 1HG1 VAL 91 -14.480 6.710 -3.475 742 2HG1 VAL 91 2HG1 VAL 91 -13.993 8.384 -3.213 743 3HG1 VAL 91 3HG1 VAL 91 -15.644 8.015 -3.702 744 1HG2 VAL 91 1HG2 VAL 91 -16.372 9.339 -2.050 745 2HG2 VAL 91 2HG2 VAL 91 -16.270 8.926 -0.340 746 3HG2 VAL 91 3HG2 VAL 91 -17.315 7.993 -1.408 747 H ASN 92 H ASN 92 -17.098 7.349 -2.996 748 HA ASN 92 HA ASN 92 -18.969 5.454 -3.759 749 1HB ASN 92 2HB ASN 92 -17.625 7.547 -5.472 750 2HB ASN 92 1HB ASN 92 -19.061 6.648 -5.966 751 1HD2 ASN 92 1HD2 ASN 92 -21.079 7.060 -4.783 752 2HD2 ASN 92 2HD2 ASN 92 -21.257 8.445 -3.817 753 H GLN 93 H GLN 93 -15.763 5.888 -5.071 754 HA GLN 93 HA GLN 93 -15.424 3.104 -5.658 755 1HB GLN 93 2HB GLN 93 -15.412 3.243 -8.141 756 2HB GLN 93 1HB GLN 93 -17.013 3.549 -7.470 757 1HG GLN 93 2HG GLN 93 -16.351 6.050 -7.528 758 2HG GLN 93 1HG GLN 93 -15.044 5.541 -8.597 759 1HE2 GLN 93 1HE2 GLN 93 -18.467 4.421 -8.367 760 2HE2 GLN 93 2HE2 GLN 93 -18.833 4.738 -9.994 761 H LEU 94 H LEU 94 -13.845 4.887 -4.324 762 HA LEU 94 HA LEU 94 -11.401 4.881 -5.980 763 1HB LEU 94 2HB LEU 94 -12.635 7.365 -4.771 764 2HB LEU 94 1HB LEU 94 -10.916 7.265 -5.139 765 HG LEU 94 HG LEU 94 -12.005 6.375 -7.501 766 1HD1 LEU 94 1HD1 LEU 94 -13.955 7.551 -8.066 767 2HD1 LEU 94 2HD1 LEU 94 -13.755 8.709 -6.750 768 3HD1 LEU 94 3HD1 LEU 94 -14.279 7.063 -6.403 769 1HD2 LEU 94 1HD2 LEU 94 -11.545 8.689 -8.331 770 2HD2 LEU 94 2HD2 LEU 94 -10.249 8.055 -7.316 771 3HD2 LEU 94 3HD2 LEU 94 -11.392 9.224 -6.657 772 HA PRO 95 HA PRO 95 -10.336 3.566 -1.774 773 1HB PRO 95 2HB PRO 95 -7.860 2.575 -2.348 774 2HB PRO 95 1HB PRO 95 -9.354 1.700 -2.734 775 1HG PRO 95 2HG PRO 95 -7.578 3.289 -4.512 776 2HG PRO 95 1HG PRO 95 -8.448 1.781 -4.838 777 1HD PRO 95 2HD PRO 95 -9.309 4.270 -5.673 778 2HD PRO 95 1HD PRO 95 -10.387 2.877 -5.427 779 H ILE 96 H ILE 96 -9.391 4.831 -0.144 780 HA ILE 96 HA ILE 96 -7.057 6.504 -0.886 781 HB ILE 96 HB ILE 96 -8.141 8.512 0.127 782 1HG1 ILE 96 2HG1 ILE 96 -10.812 8.163 -0.006 783 2HG1 ILE 96 1HG1 ILE 96 -10.364 6.518 0.433 784 1HG2 ILE 96 1HG2 ILE 96 -9.270 9.104 -1.854 785 2HG2 ILE 96 2HG2 ILE 96 -9.863 7.464 -2.115 786 3HG2 ILE 96 3HG2 ILE 96 -8.162 7.838 -2.378 787 1HD1 ILE 96 1HD1 ILE 96 -10.477 7.346 2.553 788 2HD1 ILE 96 2HD1 ILE 96 -10.226 9.008 2.028 789 3HD1 ILE 96 3HD1 ILE 96 -8.850 7.925 2.209 790 H HIS 97 H HIS 97 -8.759 4.685 1.564 791 HA HIS 97 HA HIS 97 -6.692 5.677 3.514 792 1HB HIS 97 2HB HIS 97 -9.572 5.563 3.756 793 2HB HIS 97 1HB HIS 97 -8.828 4.541 4.984 794 HD1 HIS 97 1HD HIS 97 -9.191 6.105 6.973 795 HD2 HIS 97 2HD HIS 97 -7.173 7.943 3.820 796 HE1 HIS 97 1HE HIS 97 -8.349 8.327 7.857 797 HE2 HIS 97 2HE HIS 97 -7.121 9.452 5.945 798 H PHE 98 H PHE 98 -5.346 4.168 4.280 799 HA PHE 98 HA PHE 98 -5.898 1.313 3.650 800 1HB PHE 98 2HB PHE 98 -3.721 2.109 2.932 801 2HB PHE 98 1HB PHE 98 -3.386 2.767 4.533 802 HD1 PHE 98 1HD PHE 98 -4.516 -0.493 3.039 803 HD2 PHE 98 2HD PHE 98 -1.994 1.490 5.896 804 HE1 PHE 98 1HE PHE 98 -3.588 -2.683 3.741 805 HE2 PHE 98 2HE PHE 98 -1.067 -0.700 6.598 806 HZ PHE 98 HZ PHE 98 -1.863 -2.786 5.521 807 H ALA 99 H ALA 99 -7.062 0.373 5.274 808 HA ALA 99 HA ALA 99 -7.119 1.244 7.983 809 1HB ALA 99 1HB ALA 99 -8.663 -0.420 6.622 810 2HB ALA 99 2HB ALA 99 -8.499 -0.587 8.370 811 3HB ALA 99 3HB ALA 99 -7.577 -1.634 7.294 812 H GLY 100 H GLY 100 -5.813 -1.942 7.017 813 1HA GLY 100 2HA GLY 100 -3.198 -1.480 8.132 814 2HA GLY 100 1HA GLY 100 -4.218 -2.324 9.297 815 H VAL 101 H VAL 101 -3.009 -4.278 9.148 816 HA VAL 101 HA VAL 101 -2.948 -5.617 6.486 817 HB VAL 101 HB VAL 101 -1.656 -6.507 9.078 818 1HG1 VAL 101 1HG1 VAL 101 -0.185 -7.747 7.435 819 2HG1 VAL 101 2HG1 VAL 101 -1.314 -7.271 6.166 820 3HG1 VAL 101 3HG1 VAL 101 -1.856 -8.307 7.485 821 1HG2 VAL 101 1HG2 VAL 101 -0.586 -4.800 6.810 822 2HG2 VAL 101 2HG2 VAL 101 0.434 -5.559 8.033 823 3HG2 VAL 101 3HG2 VAL 101 -0.745 -4.336 8.505 824 H GLY 102 H GLY 102 -3.636 -7.892 6.381 825 1HA GLY 102 2HA GLY 102 -5.175 -9.621 6.792 826 2HA GLY 102 1HA GLY 102 -5.080 -9.179 8.495 827 H SER 103 H SER 103 -7.485 -9.721 8.299 828 HA SER 103 HA SER 103 -9.134 -7.711 6.930 829 1HB SER 103 2HB SER 103 -10.969 -9.066 7.480 830 2HB SER 103 1HB SER 103 -9.668 -10.241 7.314 831 HG SER 103 HG SER 103 -9.401 -10.131 9.584 832 H CYS 104 H CYS 104 -10.287 -6.062 7.949 833 HA CYS 104 HA CYS 104 -9.228 -4.999 10.385 834 1HB CYS 104 2HB CYS 104 -11.523 -3.650 10.232 835 2HB CYS 104 1HB CYS 104 -10.213 -3.339 9.096 836 HA PRO 105 HA PRO 105 -11.509 -7.231 13.445 837 1HB PRO 105 2HB PRO 105 -11.806 -5.323 15.396 838 2HB PRO 105 1HB PRO 105 -10.268 -6.138 15.055 839 1HG PRO 105 2HG PRO 105 -11.207 -3.441 14.204 840 2HG PRO 105 1HG PRO 105 -9.604 -3.954 14.759 841 1HD PRO 105 2HD PRO 105 -10.192 -3.584 12.118 842 2HD PRO 105 1HD PRO 105 -8.994 -4.771 12.676 Start of MODEL 15 1 HN PCA 1 H PCA 1 -6.391 8.528 1.134 2 HA PCA 1 HA PCA 1 -7.953 10.443 2.086 3 1HB PCA 1 1HB PCA 1 -6.667 11.793 3.386 4 2HB PCA 1 2HB PCA 1 -6.008 12.453 1.907 5 1HG PCA 1 1HG PCA 1 -4.692 11.011 3.733 6 2HG PCA 1 2HG PCA 1 -4.230 11.205 2.026 7 H ASP 2 H ASP 2 -6.317 9.365 -0.454 8 HA ASP 2 HA ASP 2 -7.896 10.755 -2.376 9 1HB ASP 2 2HB ASP 2 -6.174 12.565 -1.634 10 2HB ASP 2 1HB ASP 2 -5.001 11.604 -2.529 11 H TRP 3 H TRP 3 -8.130 8.967 -3.647 12 HA TRP 3 HA TRP 3 -6.562 6.730 -3.864 13 1HB TRP 3 2HB TRP 3 -8.562 6.622 -5.066 14 2HB TRP 3 1HB TRP 3 -8.262 8.148 -5.893 15 HD1 TRP 3 HD TRP 3 -7.974 7.662 -8.352 16 HE1 TRP 3 1HE TRP 3 -6.685 5.936 -9.766 17 HE3 TRP 3 3HE TRP 3 -6.076 4.704 -4.636 18 HZ2 TRP 3 2HZ TRP 3 -5.069 3.613 -9.377 19 HZ3 TRP 3 3HZ TRP 3 -4.668 2.747 -5.190 20 HH2 TRP 3 HH TRP 3 -4.162 2.195 -7.553 21 H GLU 4 H GLU 4 -5.854 9.863 -5.264 22 HA GLU 4 HA GLU 4 -3.840 9.026 -7.117 23 1HB GLU 4 2HB GLU 4 -4.084 11.619 -5.556 24 2HB GLU 4 1HB GLU 4 -3.008 11.366 -6.931 25 1HG GLU 4 2HG GLU 4 -4.971 10.827 -8.349 26 2HG GLU 4 1HG GLU 4 -6.033 11.138 -6.975 27 H THR 5 H THR 5 -2.988 10.860 -4.180 28 HA THR 5 HA THR 5 -0.369 9.881 -3.993 29 HB THR 5 HB THR 5 -1.396 11.729 -2.607 30 HG1 THR 5 1HG THR 5 0.314 11.487 -1.443 31 1HG2 THR 5 1HG2 THR 5 -2.186 9.526 -0.709 32 2HG2 THR 5 2HG2 THR 5 -3.328 10.180 -1.880 33 3HG2 THR 5 3HG2 THR 5 -2.627 11.232 -0.651 34 H PHE 6 H PHE 6 -3.306 8.542 -2.468 35 HA PHE 6 HA PHE 6 -2.145 6.387 -1.095 36 1HB PHE 6 2HB PHE 6 -4.630 7.101 -1.237 37 2HB PHE 6 1HB PHE 6 -4.698 6.096 -2.683 38 HD1 PHE 6 1HD PHE 6 -4.735 3.713 -2.545 39 HD2 PHE 6 2HD PHE 6 -3.984 6.073 0.965 40 HE1 PHE 6 1HE PHE 6 -4.998 1.694 -1.132 41 HE2 PHE 6 2HE PHE 6 -4.245 4.056 2.376 42 HZ PHE 6 HZ PHE 6 -4.756 1.863 1.327 43 H GLN 7 H GLN 7 -2.512 6.938 -4.504 44 HA GLN 7 HA GLN 7 -1.853 4.135 -5.173 45 1HB GLN 7 2HB GLN 7 -3.485 5.354 -6.577 46 2HB GLN 7 1HB GLN 7 -2.259 6.560 -6.956 47 1HG GLN 7 2HG GLN 7 -1.727 3.648 -7.492 48 2HG GLN 7 1HG GLN 7 -2.666 4.604 -8.637 49 1HE2 GLN 7 1HE2 GLN 7 -1.409 7.042 -8.702 50 2HE2 GLN 7 2HE2 GLN 7 0.217 6.879 -9.162 51 H LYS 8 H LYS 8 -0.301 7.163 -4.619 52 HA LYS 8 HA LYS 8 2.107 6.433 -6.165 53 1HB LYS 8 2HB LYS 8 1.680 8.790 -4.313 54 2HB LYS 8 1HB LYS 8 2.931 8.618 -5.544 55 1HG LYS 8 2HG LYS 8 0.050 8.399 -6.374 56 2HG LYS 8 1HG LYS 8 0.724 9.994 -6.061 57 1HD LYS 8 2HD LYS 8 2.561 9.515 -7.661 58 2HD LYS 8 1HD LYS 8 1.831 7.947 -8.004 59 1HE LYS 8 2HE LYS 8 0.676 10.685 -8.567 60 2HE LYS 8 1HE LYS 8 1.072 9.421 -9.731 61 1HZ LYS 8 1HZ LYS 8 -1.279 9.747 -8.113 62 2HZ LYS 8 2HZ LYS 8 -0.627 8.180 -8.032 63 3HZ LYS 8 3HZ LYS 8 -1.058 8.849 -9.533 64 H LYS 9 H LYS 9 1.368 7.111 -2.708 65 HA LYS 9 HA LYS 9 4.004 6.016 -1.969 66 1HB LYS 9 2HB LYS 9 3.415 6.729 0.312 67 2HB LYS 9 1HB LYS 9 3.190 8.039 -0.846 68 1HG LYS 9 2HG LYS 9 0.734 7.211 -0.988 69 2HG LYS 9 1HG LYS 9 1.093 6.348 0.508 70 1HD LYS 9 2HD LYS 9 1.968 8.597 1.398 71 2HD LYS 9 1HD LYS 9 1.151 9.326 0.015 72 1HE LYS 9 2HE LYS 9 -0.384 9.382 1.879 73 2HE LYS 9 1HE LYS 9 -0.960 8.155 0.752 74 1HZ LYS 9 1HZ LYS 9 0.269 7.830 3.388 75 2HZ LYS 9 2HZ LYS 9 0.563 6.632 2.219 76 3HZ LYS 9 3HZ LYS 9 -1.030 6.992 2.690 77 H HIS 10 H HIS 10 0.595 5.244 -1.082 78 HA HIS 10 HA HIS 10 1.338 2.875 0.372 79 1HB HIS 10 2HB HIS 10 -1.252 3.890 -0.770 80 2HB HIS 10 1HB HIS 10 -1.157 2.275 -0.074 81 HD1 HIS 10 1HD HIS 10 -0.064 2.244 2.462 82 HD2 HIS 10 2HD HIS 10 -1.652 5.865 1.131 83 HE1 HIS 10 1HE HIS 10 -0.437 3.667 4.526 84 HE2 HIS 10 2HE HIS 10 -1.403 5.872 3.727 85 H LEU 11 H LEU 11 1.121 3.452 -3.033 86 HA LEU 11 HA LEU 11 1.221 0.478 -3.457 87 1HB LEU 11 2HB LEU 11 -0.232 2.636 -4.899 88 2HB LEU 11 1HB LEU 11 0.501 1.389 -5.902 89 HG LEU 11 HG LEU 11 -0.643 -0.346 -4.537 90 1HD1 LEU 11 1HD1 LEU 11 -1.654 2.116 -3.121 91 2HD1 LEU 11 2HD1 LEU 11 -0.997 0.636 -2.432 92 3HD1 LEU 11 3HD1 LEU 11 -2.611 0.634 -3.133 93 1HD2 LEU 11 1HD2 LEU 11 -2.293 1.807 -5.869 94 2HD2 LEU 11 2HD2 LEU 11 -3.003 0.298 -5.297 95 3HD2 LEU 11 3HD2 LEU 11 -1.760 0.268 -6.546 96 H THR 12 H THR 12 2.792 -0.307 -4.879 97 HA THR 12 HA THR 12 4.738 1.721 -5.927 98 HB THR 12 HB THR 12 5.875 0.743 -4.077 99 HG1 THR 12 1HG THR 12 6.968 -1.052 -5.752 100 1HG2 THR 12 1HG2 THR 12 5.925 -2.036 -4.572 101 2HG2 THR 12 2HG2 THR 12 4.235 -1.559 -4.714 102 3HG2 THR 12 3HG2 THR 12 5.129 -1.208 -3.237 103 H ASP 13 H ASP 13 6.385 -0.093 -7.308 104 HA ASP 13 HA ASP 13 4.451 -1.236 -9.294 105 1HB ASP 13 2HB ASP 13 7.090 0.181 -9.710 106 2HB ASP 13 1HB ASP 13 6.287 -0.746 -10.979 107 H THR 14 H THR 14 6.466 -2.289 -6.957 108 HA THR 14 HA THR 14 7.048 -4.761 -8.493 109 HB THR 14 HB THR 14 9.073 -3.363 -8.743 110 HG1 THR 14 1HG THR 14 9.659 -5.417 -8.655 111 1HG2 THR 14 1HG2 THR 14 8.715 -2.071 -6.626 112 2HG2 THR 14 2HG2 THR 14 10.357 -2.692 -6.796 113 3HG2 THR 14 3HG2 THR 14 9.216 -3.499 -5.721 114 H LYS 15 H LYS 15 7.423 -6.596 -7.123 115 HA LYS 15 HA LYS 15 6.017 -6.462 -4.582 116 1HB LYS 15 2HB LYS 15 6.884 -8.894 -4.426 117 2HB LYS 15 1HB LYS 15 5.782 -8.515 -5.750 118 1HG LYS 15 2HG LYS 15 7.573 -8.376 -7.328 119 2HG LYS 15 1HG LYS 15 8.789 -8.378 -6.051 120 1HD LYS 15 2HD LYS 15 8.731 -10.594 -7.017 121 2HD LYS 15 1HD LYS 15 8.008 -10.686 -5.411 122 1HE LYS 15 2HE LYS 15 5.804 -10.790 -6.290 123 2HE LYS 15 1HE LYS 15 6.329 -10.251 -7.885 124 1HZ LYS 15 1HZ LYS 15 7.513 -12.300 -8.191 125 2HZ LYS 15 2HZ LYS 15 5.905 -12.655 -7.771 126 3HZ LYS 15 3HZ LYS 15 7.142 -12.809 -6.616 127 H LYS 16 H LYS 16 9.243 -5.967 -5.589 128 HA LYS 16 HA LYS 16 10.178 -6.092 -2.744 129 1HB LYS 16 2HB LYS 16 11.723 -6.706 -5.283 130 2HB LYS 16 1HB LYS 16 12.436 -6.621 -3.672 131 1HG LYS 16 2HG LYS 16 11.416 -8.581 -2.961 132 2HG LYS 16 1HG LYS 16 10.062 -8.406 -4.078 133 1HD LYS 16 2HD LYS 16 11.347 -9.141 -5.931 134 2HD LYS 16 1HD LYS 16 12.868 -8.927 -5.063 135 1HE LYS 16 2HE LYS 16 12.316 -11.306 -5.148 136 2HE LYS 16 1HE LYS 16 12.180 -10.735 -3.485 137 1HZ LYS 16 1HZ LYS 16 9.984 -11.069 -3.466 138 2HZ LYS 16 2HZ LYS 16 10.266 -12.084 -4.800 139 3HZ LYS 16 3HZ LYS 16 9.764 -10.478 -5.040 140 H VAL 17 H VAL 17 9.254 -3.771 -3.017 141 HA VAL 17 HA VAL 17 10.383 -1.805 -4.664 142 HB VAL 17 HB VAL 17 9.826 -0.182 -2.896 143 1HG1 VAL 17 1HG1 VAL 17 7.672 -2.280 -2.916 144 2HG1 VAL 17 2HG1 VAL 17 8.100 -1.404 -4.383 145 3HG1 VAL 17 3HG1 VAL 17 7.503 -0.528 -2.974 146 1HG2 VAL 17 1HG2 VAL 17 9.685 -2.705 -1.254 147 2HG2 VAL 17 2HG2 VAL 17 8.711 -1.304 -0.809 148 3HG2 VAL 17 3HG2 VAL 17 10.468 -1.172 -0.868 149 H LYS 18 H LYS 18 11.865 -0.035 -3.908 150 HA LYS 18 HA LYS 18 14.292 -1.272 -2.718 151 1HB LYS 18 2HB LYS 18 15.264 1.032 -3.601 152 2HB LYS 18 1HB LYS 18 14.960 -0.288 -4.733 153 1HG LYS 18 2HG LYS 18 12.826 0.662 -5.368 154 2HG LYS 18 1HG LYS 18 12.950 1.892 -4.111 155 1HD LYS 18 2HD LYS 18 13.555 2.797 -6.340 156 2HD LYS 18 1HD LYS 18 14.912 2.861 -5.216 157 1HE LYS 18 2HE LYS 18 15.319 1.942 -7.630 158 2HE LYS 18 1HE LYS 18 16.032 1.086 -6.263 159 1HZ LYS 18 1HZ LYS 18 14.976 -0.502 -7.656 160 2HZ LYS 18 2HZ LYS 18 13.535 0.396 -7.709 161 3HZ LYS 18 3HZ LYS 18 14.022 -0.348 -6.261 162 H CYS 19 H CYS 19 12.881 -1.036 -0.687 163 HA CYS 19 HA CYS 19 11.944 1.064 0.651 164 1HB CYS 19 2HB CYS 19 13.941 -0.970 1.621 165 2HB CYS 19 1HB CYS 19 13.279 0.243 2.717 166 H ASP 20 H ASP 20 15.445 0.667 0.080 167 HA ASP 20 HA ASP 20 16.484 2.756 1.594 168 1HB ASP 20 2HB ASP 20 17.949 1.342 0.285 169 2HB ASP 20 1HB ASP 20 17.232 1.917 -1.221 170 H VAL 21 H VAL 21 14.876 2.986 -1.559 171 HA VAL 21 HA VAL 21 14.932 5.959 -1.327 172 HB VAL 21 HB VAL 21 13.967 4.426 -3.732 173 1HG1 VAL 21 1HG1 VAL 21 15.405 6.593 -4.609 174 2HG1 VAL 21 2HG1 VAL 21 14.753 7.206 -3.092 175 3HG1 VAL 21 3HG1 VAL 21 13.665 6.601 -4.339 176 1HG2 VAL 21 1HG2 VAL 21 16.101 3.412 -3.279 177 2HG2 VAL 21 2HG2 VAL 21 16.830 4.978 -2.921 178 3HG2 VAL 21 3HG2 VAL 21 16.355 4.583 -4.573 179 H GLU 22 H GLU 22 12.789 3.150 -1.620 180 HA GLU 22 HA GLU 22 10.332 4.574 -1.904 181 1HB GLU 22 2HB GLU 22 11.061 1.896 -1.677 182 2HB GLU 22 1HB GLU 22 10.131 2.184 -0.209 183 1HG GLU 22 2HG GLU 22 9.236 2.663 -3.065 184 2HG GLU 22 1HG GLU 22 8.580 1.490 -1.922 185 H MET 23 H MET 23 12.581 4.821 0.453 186 HA MET 23 HA MET 23 10.573 5.740 2.474 187 1HB MET 23 2HB MET 23 13.210 4.373 3.091 188 2HB MET 23 1HB MET 23 11.990 4.884 4.256 189 1HG MET 23 2HG MET 23 11.286 2.952 2.050 190 2HG MET 23 1HG MET 23 12.034 2.383 3.537 191 1HE MET 23 1HE MET 23 9.806 2.734 6.276 192 2HE MET 23 2HE MET 23 10.444 4.345 5.965 193 3HE MET 23 3HE MET 23 11.454 2.935 5.672 194 H ALA 24 H ALA 24 13.981 5.942 1.411 195 HA ALA 24 HA ALA 24 14.386 8.465 2.822 196 1HB ALA 24 1HB ALA 24 16.185 6.725 2.276 197 2HB ALA 24 2HB ALA 24 16.600 8.406 1.941 198 3HB ALA 24 3HB ALA 24 16.125 7.335 0.623 199 H LYS 25 H LYS 25 12.511 7.834 0.266 200 HA LYS 25 HA LYS 25 13.297 9.595 -1.802 201 1HB LYS 25 2HB LYS 25 10.735 8.427 -0.848 202 2HB LYS 25 1HB LYS 25 10.586 9.850 -1.874 203 1HG LYS 25 2HG LYS 25 11.431 8.786 -3.732 204 2HG LYS 25 1HG LYS 25 12.509 7.764 -2.789 205 1HD LYS 25 2HD LYS 25 10.979 6.159 -3.401 206 2HD LYS 25 1HD LYS 25 10.167 6.741 -1.948 207 1HE LYS 25 2HE LYS 25 8.486 6.747 -3.630 208 2HE LYS 25 1HE LYS 25 8.986 8.432 -3.481 209 1HZ LYS 25 1HZ LYS 25 8.821 7.466 -5.808 210 2HZ LYS 25 2HZ LYS 25 10.241 6.608 -5.440 211 3HZ LYS 25 3HZ LYS 25 10.243 8.307 -5.423 212 H ALA 26 H ALA 26 11.254 11.514 -2.035 213 HA ALA 26 HA ALA 26 12.081 13.440 0.084 214 1HB ALA 26 1HB ALA 26 10.699 13.979 -2.560 215 2HB ALA 26 2HB ALA 26 12.446 14.040 -2.322 216 3HB ALA 26 3HB ALA 26 11.400 15.178 -1.473 217 H LEU 27 H LEU 27 9.382 11.572 -0.967 218 HA LEU 27 HA LEU 27 7.439 13.384 0.350 219 1HB LEU 27 2HB LEU 27 5.724 12.002 -0.572 220 2HB LEU 27 1HB LEU 27 6.933 12.194 -1.836 221 HG LEU 27 HG LEU 27 7.861 9.944 -0.546 222 1HD1 LEU 27 1HD1 LEU 27 5.831 8.469 -0.335 223 2HD1 LEU 27 2HD1 LEU 27 4.827 9.911 -0.467 224 3HD1 LEU 27 3HD1 LEU 27 5.925 9.722 0.900 225 1HD2 LEU 27 1HD2 LEU 27 7.608 10.242 -2.979 226 2HD2 LEU 27 2HD2 LEU 27 5.858 10.083 -2.822 227 3HD2 LEU 27 3HD2 LEU 27 6.903 8.707 -2.467 228 H PHE 28 H PHE 28 9.548 10.999 1.305 229 HA PHE 28 HA PHE 28 7.750 10.116 3.537 230 1HB PHE 28 2HB PHE 28 10.029 8.782 2.101 231 2HB PHE 28 1HB PHE 28 9.670 8.330 3.764 232 HD1 PHE 28 1HD PHE 28 9.027 7.473 0.456 233 HD2 PHE 28 2HD PHE 28 6.984 8.061 4.191 234 HE1 PHE 28 1HE PHE 28 7.179 6.017 -0.323 235 HE2 PHE 28 2HE PHE 28 5.134 6.610 3.406 236 HZ PHE 28 HZ PHE 28 5.234 5.584 1.151 237 H ASP 29 H ASP 29 11.136 10.975 2.790 238 HA ASP 29 HA ASP 29 12.561 12.399 4.040 239 1HB ASP 29 2HB ASP 29 10.260 13.186 5.125 240 2HB ASP 29 1HB ASP 29 10.833 12.222 6.488 241 H CYS 30 H CYS 30 12.540 9.490 3.888 242 HA CYS 30 HA CYS 30 13.614 7.655 4.871 243 1HB CYS 30 2HB CYS 30 15.500 9.269 4.813 244 2HB CYS 30 1HB CYS 30 15.040 9.842 6.415 245 H LYS 31 H LYS 31 11.257 7.592 5.952 246 HA LYS 31 HA LYS 31 11.070 8.186 8.765 247 1HB LYS 31 2HB LYS 31 9.544 6.023 7.298 248 2HB LYS 31 1HB LYS 31 9.035 6.899 8.735 249 1HG LYS 31 2HG LYS 31 9.440 8.092 5.979 250 2HG LYS 31 1HG LYS 31 7.885 7.748 6.724 251 1HD LYS 31 2HD LYS 31 9.946 9.774 7.632 252 2HD LYS 31 1HD LYS 31 8.331 10.096 7.012 253 1HE LYS 31 2HE LYS 31 9.115 8.953 9.686 254 2HE LYS 31 1HE LYS 31 8.039 10.302 9.331 255 1HZ LYS 31 1HZ LYS 31 6.441 8.787 9.627 256 2HZ LYS 31 2HZ LYS 31 7.484 7.468 9.390 257 3HZ LYS 31 3HZ LYS 31 6.825 8.284 8.054 258 H LYS 32 H LYS 32 10.013 5.276 9.155 259 HA LYS 32 HA LYS 32 12.615 3.869 9.456 260 1HB LYS 32 2HB LYS 32 12.054 3.269 11.796 261 2HB LYS 32 1HB LYS 32 12.262 5.009 11.601 262 1HG LYS 32 2HG LYS 32 9.803 5.266 11.398 263 2HG LYS 32 1HG LYS 32 9.612 3.532 11.653 264 1HD LYS 32 2HD LYS 32 10.904 5.452 13.614 265 2HD LYS 32 1HD LYS 32 9.271 4.800 13.753 266 1HE LYS 32 2HE LYS 32 10.414 3.276 15.073 267 2HE LYS 32 1HE LYS 32 10.557 2.476 13.508 268 1HZ LYS 32 1HZ LYS 32 12.656 4.122 13.446 269 2HZ LYS 32 2HZ LYS 32 12.731 2.516 13.997 270 3HZ LYS 32 3HZ LYS 32 12.581 3.793 15.109 271 H THR 33 H THR 33 9.089 3.789 9.467 272 HA THR 33 HA THR 33 9.226 0.932 8.609 273 HB THR 33 HB THR 33 8.558 1.046 11.016 274 HG1 THR 33 1HG THR 33 6.476 -0.030 10.628 275 1HG2 THR 33 1HG2 THR 33 6.567 2.167 11.698 276 2HG2 THR 33 2HG2 THR 33 6.082 2.468 10.029 277 3HG2 THR 33 3HG2 THR 33 7.457 3.331 10.717 278 H ASN 34 H ASN 34 7.527 0.355 7.124 279 HA ASN 34 HA ASN 34 5.430 2.229 6.436 280 1HB ASN 34 2HB ASN 34 7.680 3.179 5.481 281 2HB ASN 34 1HB ASN 34 7.484 1.924 4.258 282 1HD2 ASN 34 1HD2 ASN 34 4.889 1.886 3.568 283 2HD2 ASN 34 2HD2 ASN 34 4.314 3.415 3.110 284 H THR 35 H THR 35 4.023 1.383 4.813 285 HA THR 35 HA THR 35 4.635 -1.396 3.892 286 HB THR 35 HB THR 35 2.108 -0.358 5.201 287 HG1 THR 35 1HG THR 35 3.377 -2.776 5.771 288 1HG2 THR 35 1HG2 THR 35 2.556 -2.745 3.421 289 2HG2 THR 35 2HG2 THR 35 1.231 -1.583 3.399 290 3HG2 THR 35 3HG2 THR 35 1.329 -2.785 4.685 291 H PHE 36 H PHE 36 3.546 -1.965 1.898 292 HA PHE 36 HA PHE 36 2.078 0.202 0.498 293 1HB PHE 36 2HB PHE 36 4.208 -1.085 -1.141 294 2HB PHE 36 1HB PHE 36 3.553 0.542 -1.237 295 HD1 PHE 36 1HD PHE 36 4.302 2.281 0.428 296 HD2 PHE 36 2HD PHE 36 6.159 -1.575 0.130 297 HE1 PHE 36 1HE PHE 36 6.300 3.142 1.621 298 HE2 PHE 36 2HE PHE 36 8.142 -0.722 1.330 299 HZ PHE 36 HZ PHE 36 8.220 1.633 2.060 300 H ILE 37 H ILE 37 1.328 -0.745 -1.744 301 HA ILE 37 HA ILE 37 0.758 -3.664 -1.389 302 HB ILE 37 HB ILE 37 -1.053 -1.615 -2.680 303 1HG1 ILE 37 2HG1 ILE 37 -1.684 -2.866 -0.028 304 2HG1 ILE 37 1HG1 ILE 37 -0.526 -1.543 -0.042 305 1HG2 ILE 37 1HG2 ILE 37 -1.420 -4.495 -1.817 306 2HG2 ILE 37 2HG2 ILE 37 -1.444 -3.872 -3.466 307 3HG2 ILE 37 3HG2 ILE 37 -2.737 -3.448 -2.346 308 1HD1 ILE 37 1HD1 ILE 37 -2.103 0.016 -0.565 309 2HD1 ILE 37 2HD1 ILE 37 -3.202 -1.171 0.132 310 3HD1 ILE 37 3HD1 ILE 37 -2.998 -1.084 -1.616 311 H TYR 38 H TYR 38 1.180 -4.960 -3.120 312 HA TYR 38 HA TYR 38 2.288 -3.625 -5.553 313 1HB TYR 38 2HB TYR 38 3.737 -5.304 -4.518 314 2HB TYR 38 1HB TYR 38 2.446 -6.501 -4.603 315 HD1 TYR 38 1HD TYR 38 4.124 -4.050 -6.907 316 HD2 TYR 38 2HD TYR 38 2.576 -8.022 -6.361 317 HE1 TYR 38 1HE TYR 38 4.824 -4.640 -9.212 318 HE2 TYR 38 2HE TYR 38 3.277 -8.609 -8.666 319 HH TYR 38 HH TYR 38 3.977 -7.756 -10.648 320 H ALA 39 H ALA 39 0.496 -3.151 -6.828 321 HA ALA 39 HA ALA 39 -0.822 -5.403 -8.126 322 1HB ALA 39 1HB ALA 39 -2.258 -5.351 -6.198 323 2HB ALA 39 2HB ALA 39 -3.143 -4.573 -7.510 324 3HB ALA 39 3HB ALA 39 -2.376 -3.593 -6.261 325 H LEU 40 H LEU 40 -2.302 -4.601 -9.879 326 HA LEU 40 HA LEU 40 -1.176 -2.163 -11.057 327 1HB LEU 40 2HB LEU 40 -1.896 -2.990 -13.070 328 2HB LEU 40 1HB LEU 40 -1.908 -4.496 -12.163 329 HG LEU 40 HG LEU 40 -4.400 -3.664 -11.576 330 1HD1 LEU 40 1HD1 LEU 40 -5.405 -2.469 -13.382 331 2HD1 LEU 40 2HD1 LEU 40 -3.970 -2.640 -14.388 332 3HD1 LEU 40 3HD1 LEU 40 -3.941 -1.575 -12.988 333 1HD2 LEU 40 1HD2 LEU 40 -3.420 -5.075 -14.069 334 2HD2 LEU 40 2HD2 LEU 40 -5.127 -4.983 -13.633 335 3HD2 LEU 40 3HD2 LEU 40 -3.988 -5.807 -12.568 336 HA PRO 41 HA PRO 41 -4.213 0.666 -9.622 337 1HB PRO 41 2HB PRO 41 -4.582 2.218 -11.911 338 2HB PRO 41 1HB PRO 41 -3.268 2.418 -10.737 339 1HG PRO 41 2HG PRO 41 -3.256 1.038 -13.373 340 2HG PRO 41 1HG PRO 41 -1.994 2.013 -12.599 341 1HD PRO 41 2HD PRO 41 -1.860 -0.688 -12.661 342 2HD PRO 41 1HD PRO 41 -1.246 0.245 -11.278 343 H GLY 42 H GLY 42 -5.053 -0.203 -13.013 344 1HA GLY 42 2HA GLY 42 -7.786 0.274 -12.926 345 2HA GLY 42 1HA GLY 42 -7.092 -1.051 -13.856 346 H ARG 43 H ARG 43 -6.176 -2.740 -11.879 347 HA ARG 43 HA ARG 43 -8.572 -4.045 -11.023 348 1HB ARG 43 2HB ARG 43 -6.311 -5.123 -11.469 349 2HB ARG 43 1HB ARG 43 -5.801 -4.501 -9.899 350 1HG ARG 43 2HG ARG 43 -7.345 -5.841 -8.726 351 2HG ARG 43 1HG ARG 43 -8.327 -6.130 -10.162 352 1HD ARG 43 2HD ARG 43 -7.033 -8.139 -9.641 353 2HD ARG 43 1HD ARG 43 -6.453 -7.435 -11.150 354 HE ARG 43 HE ARG 43 -4.416 -6.866 -10.063 355 1HH1 ARG 43 1HH2 ARG 43 -6.858 -7.957 -7.885 356 2HH1 ARG 43 2HH2 ARG 43 -5.776 -8.112 -6.541 357 1HH2 ARG 43 1HH1 ARG 43 -2.992 -7.062 -8.321 358 2HH2 ARG 43 2HH1 ARG 43 -3.587 -7.606 -6.788 359 H VAL 44 H VAL 44 -6.425 -1.735 -9.468 360 HA VAL 44 HA VAL 44 -7.476 -2.195 -6.792 361 HB VAL 44 HB VAL 44 -5.851 0.065 -7.990 362 1HG1 VAL 44 1HG1 VAL 44 -6.873 -0.402 -5.184 363 2HG1 VAL 44 2HG1 VAL 44 -6.994 1.062 -6.160 364 3HG1 VAL 44 3HG1 VAL 44 -5.435 0.570 -5.497 365 1HG2 VAL 44 1HG2 VAL 44 -4.998 -1.977 -5.934 366 2HG2 VAL 44 2HG2 VAL 44 -3.985 -0.989 -6.985 367 3HG2 VAL 44 3HG2 VAL 44 -4.909 -2.331 -7.659 368 H LYS 45 H LYS 45 -7.818 0.556 -9.074 369 HA LYS 45 HA LYS 45 -9.943 1.787 -7.576 370 1HB LYS 45 2HB LYS 45 -10.295 3.160 -9.570 371 2HB LYS 45 1HB LYS 45 -8.563 2.982 -9.284 372 1HG LYS 45 2HG LYS 45 -8.641 0.998 -10.890 373 2HG LYS 45 1HG LYS 45 -10.262 1.536 -11.326 374 1HD LYS 45 2HD LYS 45 -7.720 3.177 -11.547 375 2HD LYS 45 1HD LYS 45 -8.617 2.470 -12.890 376 1HE LYS 45 2HE LYS 45 -9.437 4.730 -11.071 377 2HE LYS 45 1HE LYS 45 -9.375 4.705 -12.832 378 1HZ LYS 45 1HZ LYS 45 -11.125 2.867 -12.612 379 2HZ LYS 45 2HZ LYS 45 -11.615 4.475 -12.365 380 3HZ LYS 45 3HZ LYS 45 -11.349 3.451 -11.035 381 H ALA 46 H ALA 46 -9.815 -0.887 -9.735 382 HA ALA 46 HA ALA 46 -12.571 -0.830 -10.617 383 1HB ALA 46 1HB ALA 46 -12.059 -3.318 -11.085 384 2HB ALA 46 2HB ALA 46 -10.428 -2.955 -10.531 385 3HB ALA 46 3HB ALA 46 -11.082 -2.127 -11.942 386 H LEU 47 H LEU 47 -10.838 -2.578 -8.031 387 HA LEU 47 HA LEU 47 -13.056 -4.044 -7.051 388 1HB LEU 47 2HB LEU 47 -10.363 -3.711 -6.349 389 2HB LEU 47 1HB LEU 47 -11.244 -3.147 -4.932 390 HG LEU 47 HG LEU 47 -12.649 -5.323 -5.231 391 1HD1 LEU 47 1HD1 LEU 47 -10.130 -6.007 -6.778 392 2HD1 LEU 47 2HD1 LEU 47 -11.764 -5.934 -7.439 393 3HD1 LEU 47 3HD1 LEU 47 -11.347 -7.173 -6.256 394 1HD2 LEU 47 1HD2 LEU 47 -9.746 -5.469 -4.360 395 2HD2 LEU 47 2HD2 LEU 47 -11.028 -6.573 -3.864 396 3HD2 LEU 47 3HD2 LEU 47 -11.079 -4.883 -3.364 397 H CYS 48 H CYS 48 -12.839 -0.762 -7.294 398 HA CYS 48 HA CYS 48 -14.494 -0.302 -4.839 399 1HB CYS 48 2HB CYS 48 -12.525 1.392 -6.331 400 2HB CYS 48 1HB CYS 48 -13.885 2.197 -5.555 401 H LYS 49 H LYS 49 -15.096 -1.211 -7.761 402 HA LYS 49 HA LYS 49 -16.855 0.970 -8.670 403 1HB LYS 49 2HB LYS 49 -17.147 -0.308 -10.645 404 2HB LYS 49 1HB LYS 49 -15.467 -0.580 -10.183 405 1HG LYS 49 2HG LYS 49 -16.320 -2.650 -8.919 406 2HG LYS 49 1HG LYS 49 -17.823 -2.438 -9.820 407 1HD LYS 49 2HD LYS 49 -15.067 -2.767 -11.044 408 2HD LYS 49 1HD LYS 49 -16.317 -4.010 -10.981 409 1HE LYS 49 2HE LYS 49 -17.821 -2.306 -12.198 410 2HE LYS 49 1HE LYS 49 -16.334 -1.420 -12.533 411 1HZ LYS 49 1HZ LYS 49 -17.247 -3.982 -13.574 412 2HZ LYS 49 2HZ LYS 49 -15.585 -3.844 -13.253 413 3HZ LYS 49 3HZ LYS 49 -16.338 -2.766 -14.329 414 H ASN 50 H ASN 50 -19.091 0.941 -8.533 415 HA ASN 50 HA ASN 50 -21.241 0.195 -7.944 416 1HB ASN 50 2HB ASN 50 -20.165 -2.088 -8.809 417 2HB ASN 50 1HB ASN 50 -20.225 -2.494 -7.094 418 1HD2 ASN 50 1HD2 ASN 50 -22.691 -0.587 -6.918 419 2HD2 ASN 50 2HD2 ASN 50 -23.967 -1.551 -7.488 420 H ILE 51 H ILE 51 -18.565 0.393 -5.955 421 HA ILE 51 HA ILE 51 -19.848 -0.427 -3.462 422 HB ILE 51 HB ILE 51 -17.342 1.206 -3.963 423 1HG1 ILE 51 2HG1 ILE 51 -17.158 -1.056 -4.873 424 2HG1 ILE 51 1HG1 ILE 51 -16.187 -0.935 -3.408 425 1HG2 ILE 51 1HG2 ILE 51 -17.911 1.694 -1.746 426 2HG2 ILE 51 2HG2 ILE 51 -16.863 0.289 -1.567 427 3HG2 ILE 51 3HG2 ILE 51 -18.613 0.099 -1.473 428 1HD1 ILE 51 1HD1 ILE 51 -18.419 -1.780 -2.244 429 2HD1 ILE 51 2HD1 ILE 51 -17.310 -2.922 -2.999 430 3HD1 ILE 51 3HD1 ILE 51 -18.758 -2.404 -3.859 431 H ARG 52 H ARG 52 -19.847 1.306 -1.637 432 HA ARG 52 HA ARG 52 -21.381 3.645 -2.675 433 1HB ARG 52 2HB ARG 52 -21.196 2.570 0.155 434 2HB ARG 52 1HB ARG 52 -22.308 3.810 -0.426 435 1HG ARG 52 2HG ARG 52 -23.378 2.202 -1.922 436 2HG ARG 52 1HG ARG 52 -22.221 0.957 -1.451 437 1HD ARG 52 2HD ARG 52 -23.033 1.032 0.857 438 2HD ARG 52 1HD ARG 52 -24.143 2.340 0.445 439 HE ARG 52 HE ARG 52 -24.799 0.278 -1.311 440 1HH1 ARG 52 1HH2 ARG 52 -24.505 0.729 2.094 441 2HH1 ARG 52 2HH2 ARG 52 -25.732 -0.428 2.488 442 1HH2 ARG 52 1HH1 ARG 52 -26.403 -1.237 -0.816 443 2HH2 ARG 52 2HH1 ARG 52 -26.806 -1.541 0.841 444 H ASP 53 H ASP 53 -21.102 5.282 -0.393 445 HA ASP 53 HA ASP 53 -18.739 6.745 -0.980 446 1HB ASP 53 2HB ASP 53 -19.249 8.046 0.994 447 2HB ASP 53 1HB ASP 53 -20.767 7.639 0.194 448 H ASN 54 H ASN 54 -17.867 7.193 1.746 449 HA ASN 54 HA ASN 54 -15.639 5.402 1.818 450 1HB ASN 54 2HB ASN 54 -15.298 6.368 4.142 451 2HB ASN 54 1HB ASN 54 -15.407 7.559 2.846 452 1HD2 ASN 54 1HD2 ASN 54 -17.260 8.966 2.806 453 2HD2 ASN 54 2HD2 ASN 54 -18.411 8.994 4.055 454 H THR 55 H THR 55 -15.833 3.279 2.232 455 HA THR 55 HA THR 55 -17.293 2.434 4.676 456 HB THR 55 HB THR 55 -17.696 0.572 2.431 457 HG1 THR 55 1HG THR 55 -19.445 2.658 2.238 458 1HG2 THR 55 1HG2 THR 55 -18.787 0.486 4.697 459 2HG2 THR 55 2HG2 THR 55 -19.927 0.461 3.353 460 3HG2 THR 55 3HG2 THR 55 -19.674 1.947 4.267 461 H ASP 56 H ASP 56 -16.549 0.327 5.442 462 HA ASP 56 HA ASP 56 -13.720 -0.104 4.833 463 1HB ASP 56 2HB ASP 56 -13.935 -1.909 6.578 464 2HB ASP 56 1HB ASP 56 -14.420 -0.308 7.139 465 H VAL 57 H VAL 57 -12.936 -1.567 3.402 466 HA VAL 57 HA VAL 57 -14.765 -3.747 2.463 467 HB VAL 57 HB VAL 57 -13.963 -3.502 0.249 468 1HG1 VAL 57 1HG1 VAL 57 -15.480 -1.661 1.039 469 2HG1 VAL 57 2HG1 VAL 57 -14.434 -1.187 -0.299 470 3HG1 VAL 57 3HG1 VAL 57 -14.050 -0.677 1.345 471 1HG2 VAL 57 1HG2 VAL 57 -11.737 -1.928 1.543 472 2HG2 VAL 57 2HG2 VAL 57 -12.064 -1.791 -0.184 473 3HG2 VAL 57 3HG2 VAL 57 -11.614 -3.350 0.509 474 H LEU 58 H LEU 58 -13.472 -5.639 1.558 475 HA LEU 58 HA LEU 58 -10.871 -5.989 3.002 476 1HB LEU 58 2HB LEU 58 -13.320 -7.225 3.652 477 2HB LEU 58 1HB LEU 58 -12.427 -8.456 2.769 478 HG LEU 58 HG LEU 58 -12.027 -8.527 5.229 479 1HD1 LEU 58 1HD1 LEU 58 -10.334 -9.220 3.446 480 2HD1 LEU 58 2HD1 LEU 58 -9.694 -8.903 5.057 481 3HD1 LEU 58 3HD1 LEU 58 -9.509 -7.697 3.783 482 1HD2 LEU 58 1HD2 LEU 58 -10.228 -6.194 5.212 483 2HD2 LEU 58 2HD2 LEU 58 -11.382 -6.718 6.435 484 3HD2 LEU 58 3HD2 LEU 58 -11.934 -5.769 5.056 485 H SER 59 H SER 59 -9.277 -7.015 1.753 486 HA SER 59 HA SER 59 -9.588 -7.163 -1.048 487 1HB SER 59 2HB SER 59 -7.516 -7.729 0.820 488 2HB SER 59 1HB SER 59 -7.636 -9.102 -0.275 489 HG SER 59 HG SER 59 -6.596 -6.700 -0.726 490 H ARG 60 H ARG 60 -9.354 -9.286 -2.352 491 HA ARG 60 HA ARG 60 -11.684 -10.879 -1.840 492 1HB ARG 60 2HB ARG 60 -10.594 -10.437 -4.097 493 2HB ARG 60 1HB ARG 60 -9.377 -11.631 -3.647 494 1HG ARG 60 2HG ARG 60 -11.218 -13.286 -3.263 495 2HG ARG 60 1HG ARG 60 -12.363 -12.094 -3.880 496 1HD ARG 60 2HD ARG 60 -10.131 -13.485 -5.359 497 2HD ARG 60 1HD ARG 60 -11.846 -13.427 -5.767 498 HE ARG 60 HE ARG 60 -11.121 -10.785 -5.903 499 1HH1 ARG 60 1HH2 ARG 60 -9.811 -13.725 -7.138 500 2HH1 ARG 60 2HH2 ARG 60 -9.139 -12.986 -8.554 501 1HH2 ARG 60 1HH1 ARG 60 -10.252 -9.803 -7.744 502 2HH2 ARG 60 2HH1 ARG 60 -9.389 -10.766 -8.896 503 H ASP 61 H ASP 61 -8.201 -11.670 -1.617 504 HA ASP 61 HA ASP 61 -8.862 -13.615 0.522 505 1HB ASP 61 2HB ASP 61 -7.225 -14.436 -1.892 506 2HB ASP 61 1HB ASP 61 -7.748 -15.462 -0.554 507 H ALA 62 H ALA 62 -6.044 -12.819 -1.553 508 HA ALA 62 HA ALA 62 -4.644 -11.804 0.853 509 1HB ALA 62 1HB ALA 62 -3.251 -13.804 -0.918 510 2HB ALA 62 2HB ALA 62 -4.214 -14.338 0.458 511 3HB ALA 62 3HB ALA 62 -2.822 -13.286 0.712 512 H PHE 63 H PHE 63 -2.648 -10.632 0.271 513 HA PHE 63 HA PHE 63 -2.324 -9.952 -2.590 514 1HB PHE 63 2HB PHE 63 -3.404 -8.108 -0.489 515 2HB PHE 63 1HB PHE 63 -2.284 -7.434 -1.674 516 HD1 PHE 63 1HD PHE 63 -2.948 -7.050 -3.931 517 HD2 PHE 63 2HD PHE 63 -5.500 -9.269 -1.285 518 HE1 PHE 63 1HE PHE 63 -4.774 -6.946 -5.605 519 HE2 PHE 63 2HE PHE 63 -7.325 -9.167 -2.959 520 HZ PHE 63 HZ PHE 63 -6.963 -8.004 -5.119 521 H LEU 64 H LEU 64 -0.183 -9.665 -3.024 522 HA LEU 64 HA LEU 64 1.745 -9.906 -0.844 523 1HB LEU 64 2HB LEU 64 1.970 -10.904 -3.190 524 2HB LEU 64 1HB LEU 64 2.338 -9.273 -3.743 525 HG LEU 64 HG LEU 64 3.846 -10.614 -1.485 526 1HD1 LEU 64 1HD1 LEU 64 5.637 -10.904 -3.299 527 2HD1 LEU 64 2HD1 LEU 64 4.342 -10.642 -4.466 528 3HD1 LEU 64 3HD1 LEU 64 4.268 -12.015 -3.360 529 1HD2 LEU 64 1HD2 LEU 64 4.342 -8.342 -1.352 530 2HD2 LEU 64 2HD2 LEU 64 4.116 -8.080 -3.081 531 3HD2 LEU 64 3HD2 LEU 64 5.578 -8.868 -2.491 532 H LEU 65 H LEU 65 2.191 -8.110 0.377 533 HA LEU 65 HA LEU 65 2.433 -5.510 -1.081 534 1HB LEU 65 2HB LEU 65 2.130 -5.005 1.701 535 2HB LEU 65 1HB LEU 65 1.021 -4.601 0.407 536 HG LEU 65 HG LEU 65 1.036 -7.370 1.569 537 1HD1 LEU 65 1HD1 LEU 65 -0.355 -4.880 2.599 538 2HD1 LEU 65 2HD1 LEU 65 0.804 -5.882 3.472 539 3HD1 LEU 65 3HD1 LEU 65 -0.792 -6.520 3.079 540 1HD2 LEU 65 1HD2 LEU 65 -0.214 -6.966 -0.522 541 2HD2 LEU 65 2HD2 LEU 65 -1.039 -5.600 0.220 542 3HD2 LEU 65 3HD2 LEU 65 -1.341 -7.234 0.806 543 HA PRO 66 HA PRO 66 6.651 -5.869 0.471 544 1HB PRO 66 2HB PRO 66 7.599 -3.581 -0.706 545 2HB PRO 66 1HB PRO 66 7.411 -5.116 -1.569 546 1HG PRO 66 2HG PRO 66 5.730 -2.691 -1.652 547 2HG PRO 66 1HG PRO 66 6.051 -3.884 -2.911 548 1HD PRO 66 2HD PRO 66 3.717 -3.741 -1.399 549 2HD PRO 66 1HD PRO 66 4.266 -5.168 -2.307 550 H GLN 67 H GLN 67 7.781 -4.814 2.220 551 HA GLN 67 HA GLN 67 6.655 -2.238 3.160 552 1HB GLN 67 2HB GLN 67 6.982 -4.442 5.180 553 2HB GLN 67 1HB GLN 67 5.960 -3.006 5.254 554 1HG GLN 67 2HG GLN 67 4.535 -3.963 3.453 555 2HG GLN 67 1HG GLN 67 5.526 -5.421 3.472 556 1HE2 GLN 67 1HE2 GLN 67 4.097 -6.940 4.406 557 2HE2 GLN 67 2HE2 GLN 67 3.365 -6.739 5.924 558 H CYS 68 H CYS 68 8.087 -1.046 4.464 559 HA CYS 68 HA CYS 68 10.897 -2.077 4.456 560 1HB CYS 68 2HB CYS 68 9.886 0.749 4.879 561 2HB CYS 68 1HB CYS 68 11.566 0.257 4.663 562 H ASP 69 H ASP 69 12.027 -2.304 6.373 563 HA ASP 69 HA ASP 69 10.673 -1.412 8.889 564 1HB ASP 69 2HB ASP 69 11.629 -4.173 8.152 565 2HB ASP 69 1HB ASP 69 11.567 -3.667 9.840 566 H ARG 70 H ARG 70 12.085 -0.101 9.934 567 HA ARG 70 HA ARG 70 14.906 -0.025 9.311 568 1HB ARG 70 2HB ARG 70 13.425 1.874 10.233 569 2HB ARG 70 1HB ARG 70 13.652 1.118 11.809 570 1HG ARG 70 2HG ARG 70 16.175 1.191 11.282 571 2HG ARG 70 1HG ARG 70 15.745 2.313 9.990 572 1HD ARG 70 2HD ARG 70 16.249 3.683 11.875 573 2HD ARG 70 1HD ARG 70 14.489 3.655 11.771 574 HE ARG 70 HE ARG 70 15.459 1.544 13.490 575 1HH1 ARG 70 1HH2 ARG 70 14.855 4.928 13.229 576 2HH1 ARG 70 2HH2 ARG 70 14.595 5.148 14.928 577 1HH2 ARG 70 1HH1 ARG 70 15.125 1.811 15.708 578 2HH2 ARG 70 2HH1 ARG 70 14.748 3.383 16.332 579 H ILE 71 H ILE 71 16.617 -0.990 10.386 580 HA ILE 71 HA ILE 71 16.053 -2.460 12.912 581 HB ILE 71 HB ILE 71 17.269 -3.667 10.409 582 1HG1 ILE 71 2HG1 ILE 71 14.899 -4.512 12.111 583 2HG1 ILE 71 1HG1 ILE 71 14.769 -3.628 10.591 584 1HG2 ILE 71 1HG2 ILE 71 17.471 -5.723 11.909 585 2HG2 ILE 71 2HG2 ILE 71 17.204 -4.642 13.275 586 3HG2 ILE 71 3HG2 ILE 71 18.616 -4.425 12.243 587 1HD1 ILE 71 1HD1 ILE 71 15.739 -6.446 11.043 588 2HD1 ILE 71 2HD1 ILE 71 16.177 -5.558 9.584 589 3HD1 ILE 71 3HD1 ILE 71 14.481 -5.878 9.947 590 H LYS 72 H LYS 72 18.428 -1.192 10.603 591 HA LYS 72 HA LYS 72 20.223 -0.608 12.891 592 1HB LYS 72 2HB LYS 72 22.150 -1.479 11.330 593 2HB LYS 72 1HB LYS 72 21.238 -2.632 12.304 594 1HG LYS 72 2HG LYS 72 19.825 -3.199 10.416 595 2HG LYS 72 1HG LYS 72 20.562 -1.935 9.433 596 1HD LYS 72 2HD LYS 72 22.646 -3.078 9.335 597 2HD LYS 72 1HD LYS 72 22.191 -4.175 10.639 598 1HE LYS 72 2HE LYS 72 22.069 -5.121 8.254 599 2HE LYS 72 1HE LYS 72 20.640 -5.339 9.262 600 1HZ LYS 72 1HZ LYS 72 19.681 -3.356 8.245 601 2HZ LYS 72 2HZ LYS 72 20.026 -4.546 7.082 602 3HZ LYS 72 3HZ LYS 72 21.044 -3.195 7.248 603 H LEU 73 H LEU 73 22.196 0.694 11.981 604 HA LEU 73 HA LEU 73 22.918 2.647 10.915 605 1HB LEU 73 2HB LEU 73 21.079 1.955 8.621 606 2HB LEU 73 1HB LEU 73 22.658 2.731 8.567 607 HG LEU 73 HG LEU 73 22.082 -0.172 9.195 608 1HD1 LEU 73 1HD1 LEU 73 23.664 -0.470 7.246 609 2HD1 LEU 73 2HD1 LEU 73 23.567 1.272 6.986 610 3HD1 LEU 73 3HD1 LEU 73 22.122 0.275 6.827 611 1HD2 LEU 73 1HD2 LEU 73 24.588 1.491 9.511 612 2HD2 LEU 73 2HD2 LEU 73 24.654 -0.259 9.302 613 3HD2 LEU 73 3HD2 LEU 73 23.829 0.430 10.699 614 HA PRO 74 HA PRO 74 19.600 5.554 11.476 615 1HB PRO 74 2HB PRO 74 20.480 7.755 10.145 616 2HB PRO 74 1HB PRO 74 21.293 7.118 11.586 617 1HG PRO 74 2HG PRO 74 22.152 7.056 8.785 618 2HG PRO 74 1HG PRO 74 23.107 6.870 10.261 619 1HD PRO 74 2HD PRO 74 22.104 4.791 8.504 620 2HD PRO 74 1HD PRO 74 23.141 4.612 9.935 621 H CYS 75 H CYS 75 20.398 5.155 8.038 622 HA CYS 75 HA CYS 75 17.517 5.660 7.414 623 1HB CYS 75 2HB CYS 75 19.184 7.562 6.798 624 2HB CYS 75 1HB CYS 75 19.711 6.471 5.516 625 H HIS 76 H HIS 76 18.105 3.135 7.778 626 HA HIS 76 HA HIS 76 18.224 2.018 5.026 627 1HB HIS 76 2HB HIS 76 20.504 1.884 6.289 628 2HB HIS 76 1HB HIS 76 19.711 0.651 7.269 629 HD1 HIS 76 1HD HIS 76 19.551 1.308 3.507 630 HD2 HIS 76 2HD HIS 76 20.518 -1.754 6.170 631 HE1 HIS 76 1HE HIS 76 20.061 -0.736 2.097 632 HE2 HIS 76 2HE HIS 76 20.651 -2.604 3.708 633 H TYR 77 H TYR 77 16.902 0.156 4.809 634 HA TYR 77 HA TYR 77 15.545 -0.796 7.292 635 1HB TYR 77 2HB TYR 77 13.883 -0.494 4.830 636 2HB TYR 77 1HB TYR 77 13.418 -0.344 6.524 637 HD1 TYR 77 1HD TYR 77 13.204 1.781 7.504 638 HD2 TYR 77 2HD TYR 77 15.447 1.339 3.869 639 HE1 TYR 77 1HE TYR 77 13.426 4.243 7.341 640 HE2 TYR 77 2HE TYR 77 15.669 3.804 3.705 641 HH TYR 77 HH TYR 77 14.615 5.918 6.308 642 H LYS 78 H LYS 78 14.193 -2.801 6.762 643 HA LYS 78 HA LYS 78 15.780 -4.547 4.927 644 1HB LYS 78 2HB LYS 78 15.726 -5.214 7.323 645 2HB LYS 78 1HB LYS 78 13.967 -5.304 7.244 646 1HG LYS 78 2HG LYS 78 15.337 -6.831 5.115 647 2HG LYS 78 1HG LYS 78 15.669 -7.418 6.744 648 1HD LYS 78 2HD LYS 78 13.271 -7.593 7.205 649 2HD LYS 78 1HD LYS 78 12.898 -6.929 5.613 650 1HE LYS 78 2HE LYS 78 14.064 -8.849 4.559 651 2HE LYS 78 1HE LYS 78 14.371 -9.523 6.159 652 1HZ LYS 78 1HZ LYS 78 11.967 -9.570 6.533 653 2HZ LYS 78 2HZ LYS 78 12.416 -10.520 5.198 654 3HZ LYS 78 3HZ LYS 78 11.706 -8.995 4.959 655 H LEU 79 H LEU 79 14.614 -5.929 3.489 656 HA LEU 79 HA LEU 79 11.980 -4.837 2.713 657 1HB LEU 79 2HB LEU 79 14.068 -5.522 1.183 658 2HB LEU 79 1HB LEU 79 13.268 -7.093 1.226 659 HG LEU 79 HG LEU 79 11.954 -4.481 0.413 660 1HD1 LEU 79 1HD1 LEU 79 12.545 -6.861 -1.351 661 2HD1 LEU 79 2HD1 LEU 79 13.714 -5.556 -1.144 662 3HD1 LEU 79 3HD1 LEU 79 12.127 -5.215 -1.829 663 1HD2 LEU 79 1HD2 LEU 79 10.987 -7.347 0.582 664 2HD2 LEU 79 2HD2 LEU 79 10.163 -6.124 -0.387 665 3HD2 LEU 79 3HD2 LEU 79 10.294 -5.924 1.360 666 H SER 80 H SER 80 10.216 -5.743 3.620 667 HA SER 80 HA SER 80 10.159 -8.714 3.961 668 1HB SER 80 2HB SER 80 10.382 -8.049 6.197 669 2HB SER 80 1HB SER 80 9.485 -6.554 5.944 670 HG SER 80 HG SER 80 8.589 -9.136 6.429 671 H SER 81 H SER 81 8.377 -9.600 3.009 672 HA SER 81 HA SER 81 5.943 -7.928 2.667 673 1HB SER 81 2HB SER 81 5.893 -8.066 0.353 674 2HB SER 81 1HB SER 81 7.632 -7.969 0.612 675 HG SER 81 HG SER 81 6.019 -10.193 0.000 676 H SER 82 H SER 82 4.058 -9.267 2.022 677 HA SER 82 HA SER 82 4.261 -12.166 2.111 678 1HB SER 82 2HB SER 82 3.058 -10.715 4.490 679 2HB SER 82 1HB SER 82 2.950 -12.450 4.202 680 HG SER 82 HG SER 82 4.762 -12.446 5.291 681 H THR 83 H THR 83 2.054 -13.154 1.978 682 HA THR 83 HA THR 83 0.254 -11.318 0.504 683 HB THR 83 HB THR 83 -0.660 -13.854 0.060 684 HG1 THR 83 1HG THR 83 1.465 -14.929 -0.360 685 1HG2 THR 83 1HG2 THR 83 -0.128 -12.181 -1.653 686 2HG2 THR 83 2HG2 THR 83 0.624 -13.725 -2.054 687 3HG2 THR 83 3HG2 THR 83 1.594 -12.425 -1.361 688 H ASN 84 H ASN 84 -1.473 -10.607 1.627 689 HA ASN 84 HA ASN 84 -3.097 -12.462 3.202 690 1HB ASN 84 2HB ASN 84 -2.962 -11.016 5.273 691 2HB ASN 84 1HB ASN 84 -1.486 -11.917 4.919 692 1HD2 ASN 84 1HD2 ASN 84 -2.835 -8.720 5.252 693 2HD2 ASN 84 2HD2 ASN 84 -1.420 -7.863 4.877 694 H THR 85 H THR 85 -5.171 -11.460 3.799 695 HA THR 85 HA THR 85 -6.047 -9.521 1.845 696 HB THR 85 HB THR 85 -7.861 -9.809 4.101 697 HG1 THR 85 1HG THR 85 -7.983 -11.995 4.177 698 1HG2 THR 85 1HG2 THR 85 -7.868 -10.745 1.222 699 2HG2 THR 85 2HG2 THR 85 -8.665 -9.319 1.885 700 3HG2 THR 85 3HG2 THR 85 -9.243 -10.926 2.308 701 H ILE 86 H ILE 86 -6.845 -7.356 2.345 702 HA ILE 86 HA ILE 86 -5.835 -6.222 4.912 703 HB ILE 86 HB ILE 86 -4.392 -4.790 3.881 704 1HG1 ILE 86 2HG1 ILE 86 -6.507 -4.512 1.717 705 2HG1 ILE 86 1HG1 ILE 86 -6.107 -3.346 2.980 706 1HG2 ILE 86 1HG2 ILE 86 -3.433 -5.635 1.825 707 2HG2 ILE 86 2HG2 ILE 86 -4.927 -6.483 1.423 708 3HG2 ILE 86 3HG2 ILE 86 -3.948 -7.017 2.788 709 1HD1 ILE 86 1HD1 ILE 86 -4.458 -4.138 0.580 710 2HD1 ILE 86 2HD1 ILE 86 -3.750 -3.310 1.967 711 3HD1 ILE 86 3HD1 ILE 86 -5.027 -2.531 1.033 712 H CYS 87 H CYS 87 -7.068 -4.445 5.680 713 HA CYS 87 HA CYS 87 -9.704 -4.138 4.326 714 1HB CYS 87 2HB CYS 87 -9.353 -4.765 6.866 715 2HB CYS 87 1HB CYS 87 -9.091 -3.035 7.054 716 H ILE 88 H ILE 88 -10.274 -2.163 3.464 717 HA ILE 88 HA ILE 88 -8.647 0.220 4.168 718 HB ILE 88 HB ILE 88 -7.381 -0.023 2.296 719 1HG1 ILE 88 2HG1 ILE 88 -9.965 0.387 0.753 720 2HG1 ILE 88 1HG1 ILE 88 -9.069 1.690 1.533 721 1HG2 ILE 88 1HG2 ILE 88 -7.893 -1.677 0.526 722 2HG2 ILE 88 2HG2 ILE 88 -9.464 -1.968 1.266 723 3HG2 ILE 88 3HG2 ILE 88 -7.992 -2.392 2.132 724 1HD1 ILE 88 1HD1 ILE 88 -7.796 1.855 -0.310 725 2HD1 ILE 88 2HD1 ILE 88 -8.584 0.447 -1.022 726 3HD1 ILE 88 3HD1 ILE 88 -7.172 0.237 0.011 727 H THR 89 H THR 89 -9.708 2.232 3.548 728 HA THR 89 HA THR 89 -12.651 1.857 3.295 729 HB THR 89 HB THR 89 -10.906 3.885 4.562 730 HG1 THR 89 1HG THR 89 -13.577 3.512 5.183 731 1HG2 THR 89 1HG2 THR 89 -13.435 4.626 3.077 732 2HG2 THR 89 2HG2 THR 89 -11.844 5.377 2.940 733 3HG2 THR 89 3HG2 THR 89 -12.794 5.588 4.410 734 H CYS 90 H CYS 90 -13.707 2.448 1.491 735 HA CYS 90 HA CYS 90 -12.220 3.989 -0.602 736 1HB CYS 90 2HB CYS 90 -12.517 1.509 -1.069 737 2HB CYS 90 1HB CYS 90 -14.255 1.801 -1.103 738 H VAL 91 H VAL 91 -13.305 5.754 -1.365 739 HA VAL 91 HA VAL 91 -15.790 6.565 -0.147 740 HB VAL 91 HB VAL 91 -15.644 8.507 -1.628 741 1HG1 VAL 91 1HG1 VAL 91 -14.211 8.643 0.280 742 2HG1 VAL 91 2HG1 VAL 91 -13.234 9.161 -1.093 743 3HG1 VAL 91 3HG1 VAL 91 -13.038 7.537 -0.435 744 1HG2 VAL 91 1HG2 VAL 91 -15.023 7.546 -3.721 745 2HG2 VAL 91 2HG2 VAL 91 -13.588 6.786 -3.030 746 3HG2 VAL 91 3HG2 VAL 91 -13.645 8.536 -3.242 747 H ASN 92 H ASN 92 -16.980 7.735 -2.550 748 HA ASN 92 HA ASN 92 -18.977 5.946 -3.178 749 1HB ASN 92 2HB ASN 92 -18.612 8.415 -3.929 750 2HB ASN 92 1HB ASN 92 -17.854 7.692 -5.347 751 1HD2 ASN 92 1HD2 ASN 92 -19.445 5.490 -5.883 752 2HD2 ASN 92 2HD2 ASN 92 -21.045 5.969 -6.186 753 H GLN 93 H GLN 93 -15.819 6.127 -4.593 754 HA GLN 93 HA GLN 93 -15.762 3.390 -5.364 755 1HB GLN 93 2HB GLN 93 -15.759 3.846 -7.906 756 2HB GLN 93 1HB GLN 93 -17.325 3.812 -7.096 757 1HG GLN 93 2HG GLN 93 -17.497 6.179 -7.087 758 2HG GLN 93 1HG GLN 93 -15.784 6.386 -7.458 759 1HE2 GLN 93 1HE2 GLN 93 -17.702 3.937 -9.135 760 2HE2 GLN 93 2HE2 GLN 93 -17.723 4.724 -10.638 761 H LEU 94 H LEU 94 -13.967 4.994 -4.069 762 HA LEU 94 HA LEU 94 -11.645 4.877 -5.889 763 1HB LEU 94 2HB LEU 94 -12.959 7.335 -5.277 764 2HB LEU 94 1HB LEU 94 -11.436 7.335 -4.396 765 HG LEU 94 HG LEU 94 -10.290 6.669 -6.554 766 1HD1 LEU 94 1HD1 LEU 94 -11.804 7.477 -8.585 767 2HD1 LEU 94 2HD1 LEU 94 -13.114 6.975 -7.517 768 3HD1 LEU 94 3HD1 LEU 94 -11.880 5.815 -8.006 769 1HD2 LEU 94 1HD2 LEU 94 -10.420 9.022 -5.653 770 2HD2 LEU 94 2HD2 LEU 94 -11.826 9.282 -6.687 771 3HD2 LEU 94 3HD2 LEU 94 -10.252 8.938 -7.406 772 HA PRO 95 HA PRO 95 -10.388 3.371 -1.785 773 1HB PRO 95 2HB PRO 95 -8.123 2.084 -2.587 774 2HB PRO 95 1HB PRO 95 -9.745 1.403 -2.823 775 1HG PRO 95 2HG PRO 95 -7.955 2.754 -4.774 776 2HG PRO 95 1HG PRO 95 -9.056 1.386 -5.007 777 1HD PRO 95 2HD PRO 95 -9.625 3.996 -5.753 778 2HD PRO 95 1HD PRO 95 -10.855 2.752 -5.441 779 H ILE 96 H ILE 96 -9.312 4.699 -0.319 780 HA ILE 96 HA ILE 96 -6.710 5.835 -1.151 781 HB ILE 96 HB ILE 96 -7.274 8.038 -1.052 782 1HG1 ILE 96 2HG1 ILE 96 -8.099 7.968 1.297 783 2HG1 ILE 96 1HG1 ILE 96 -9.093 8.999 0.275 784 1HG2 ILE 96 1HG2 ILE 96 -8.628 7.054 -2.835 785 2HG2 ILE 96 2HG2 ILE 96 -9.459 8.424 -2.111 786 3HG2 ILE 96 3HG2 ILE 96 -9.947 6.780 -1.702 787 1HD1 ILE 96 1HD1 ILE 96 -10.406 7.468 1.769 788 2HD1 ILE 96 2HD1 ILE 96 -9.744 6.107 0.866 789 3HD1 ILE 96 3HD1 ILE 96 -10.768 7.288 0.054 790 H HIS 97 H HIS 97 -8.573 4.411 1.335 791 HA HIS 97 HA HIS 97 -6.623 5.517 3.340 792 1HB HIS 97 2HB HIS 97 -9.499 5.181 3.426 793 2HB HIS 97 1HB HIS 97 -8.736 4.275 4.733 794 HD1 HIS 97 1HD HIS 97 -7.702 5.598 6.644 795 HD2 HIS 97 2HD HIS 97 -8.924 8.036 3.487 796 HE1 HIS 97 1HE HIS 97 -7.509 7.988 7.465 797 HE2 HIS 97 2HE HIS 97 -8.250 9.479 5.551 798 H PHE 98 H PHE 98 -5.289 4.123 4.354 799 HA PHE 98 HA PHE 98 -5.572 1.219 3.735 800 1HB PHE 98 2HB PHE 98 -3.401 2.080 3.136 801 2HB PHE 98 1HB PHE 98 -3.234 2.899 4.687 802 HD1 PHE 98 1HD PHE 98 -2.109 1.822 6.440 803 HD2 PHE 98 2HD PHE 98 -3.754 -0.518 3.234 804 HE1 PHE 98 1HE PHE 98 -1.076 -0.219 7.398 805 HE2 PHE 98 2HE PHE 98 -2.720 -2.558 4.193 806 HZ PHE 98 HZ PHE 98 -1.381 -2.408 6.274 807 H ALA 99 H ALA 99 -6.951 0.430 5.324 808 HA ALA 99 HA ALA 99 -7.102 1.329 8.007 809 1HB ALA 99 1HB ALA 99 -7.542 -1.560 7.320 810 2HB ALA 99 2HB ALA 99 -8.615 -0.335 6.644 811 3HB ALA 99 3HB ALA 99 -8.476 -0.520 8.393 812 H GLY 100 H GLY 100 -5.772 -1.884 7.174 813 1HA GLY 100 2HA GLY 100 -3.215 -1.389 8.424 814 2HA GLY 100 1HA GLY 100 -4.294 -2.253 9.521 815 H VAL 101 H VAL 101 -2.891 -4.129 9.383 816 HA VAL 101 HA VAL 101 -2.696 -5.457 6.740 817 HB VAL 101 HB VAL 101 -1.641 -6.485 9.381 818 1HG1 VAL 101 1HG1 VAL 101 -0.841 -6.890 6.482 819 2HG1 VAL 101 2HG1 VAL 101 -1.636 -8.074 7.520 820 3HG1 VAL 101 3HG1 VAL 101 0.017 -7.567 7.867 821 1HG2 VAL 101 1HG2 VAL 101 0.515 -5.368 8.676 822 2HG2 VAL 101 2HG2 VAL 101 -0.758 -4.243 9.153 823 3HG2 VAL 101 3HG2 VAL 101 -0.404 -4.504 7.444 824 H GLY 102 H GLY 102 -3.369 -7.736 6.542 825 1HA GLY 102 2HA GLY 102 -4.974 -9.435 6.755 826 2HA GLY 102 1HA GLY 102 -4.941 -9.103 8.484 827 H SER 103 H SER 103 -7.357 -9.648 8.031 828 HA SER 103 HA SER 103 -8.928 -7.546 6.757 829 1HB SER 103 2HB SER 103 -10.787 -8.899 7.181 830 2HB SER 103 1HB SER 103 -9.493 -10.090 7.073 831 HG SER 103 HG SER 103 -10.700 -10.448 8.938 832 H CYS 104 H CYS 104 -10.479 -6.195 7.909 833 HA CYS 104 HA CYS 104 -9.353 -5.103 10.370 834 1HB CYS 104 2HB CYS 104 -11.599 -3.705 10.156 835 2HB CYS 104 1HB CYS 104 -10.257 -3.409 9.050 836 HA PRO 105 HA PRO 105 -11.803 -7.426 13.230 837 1HB PRO 105 2HB PRO 105 -12.168 -5.591 15.237 838 2HB PRO 105 1HB PRO 105 -10.627 -6.419 14.940 839 1HG PRO 105 2HG PRO 105 -11.483 -3.674 14.152 840 2HG PRO 105 1HG PRO 105 -9.916 -4.236 14.762 841 1HD PRO 105 2HD PRO 105 -10.369 -3.752 12.113 842 2HD PRO 105 1HD PRO 105 -9.219 -4.984 12.680 Start of MODEL 16 1 HN PCA 1 H PCA 1 -6.732 9.013 1.257 2 HA PCA 1 HA PCA 1 -8.289 11.019 1.915 3 1HB PCA 1 1HB PCA 1 -7.110 12.316 3.368 4 2HB PCA 1 2HB PCA 1 -6.308 12.973 1.962 5 1HG PCA 1 1HG PCA 1 -5.170 11.535 3.893 6 2HG PCA 1 2HG PCA 1 -4.566 11.691 2.228 7 H ASP 2 H ASP 2 -6.444 9.785 -0.402 8 HA ASP 2 HA ASP 2 -7.698 11.248 -2.494 9 1HB ASP 2 2HB ASP 2 -5.154 12.357 -1.465 10 2HB ASP 2 1HB ASP 2 -5.183 12.117 -3.212 11 H TRP 3 H TRP 3 -7.857 9.570 -3.885 12 HA TRP 3 HA TRP 3 -6.425 7.205 -3.894 13 1HB TRP 3 2HB TRP 3 -8.321 7.261 -5.269 14 2HB TRP 3 1HB TRP 3 -7.797 8.722 -6.097 15 HD1 TRP 3 HD TRP 3 -7.386 8.104 -8.501 16 HE1 TRP 3 1HE TRP 3 -6.118 6.246 -9.753 17 HE3 TRP 3 3HE TRP 3 -5.993 5.156 -4.555 18 HZ2 TRP 3 2HZ TRP 3 -4.711 3.834 -9.170 19 HZ3 TRP 3 3HZ TRP 3 -4.695 3.087 -4.942 20 HH2 TRP 3 HH TRP 3 -4.051 2.422 -7.242 21 H GLU 4 H GLU 4 -5.395 10.295 -5.176 22 HA GLU 4 HA GLU 4 -3.224 9.334 -6.791 23 1HB GLU 4 2HB GLU 4 -4.094 11.680 -6.853 24 2HB GLU 4 1HB GLU 4 -3.395 11.949 -5.256 25 1HG GLU 4 2HG GLU 4 -1.166 11.601 -6.079 26 2HG GLU 4 1HG GLU 4 -1.766 11.013 -7.630 27 H THR 5 H THR 5 -2.691 11.133 -3.752 28 HA THR 5 HA THR 5 -0.168 10.034 -3.208 29 HB THR 5 HB THR 5 -0.986 11.900 -1.906 30 HG1 THR 5 1HG THR 5 0.024 11.230 -0.198 31 1HG2 THR 5 1HG2 THR 5 -2.894 11.847 -0.527 32 2HG2 THR 5 2HG2 THR 5 -2.935 10.085 -0.501 33 3HG2 THR 5 3HG2 THR 5 -3.405 10.955 -1.959 34 H PHE 6 H PHE 6 -3.342 8.883 -2.009 35 HA PHE 6 HA PHE 6 -2.494 6.653 -0.556 36 1HB PHE 6 2HB PHE 6 -4.897 7.523 -1.018 37 2HB PHE 6 1HB PHE 6 -4.841 6.494 -2.447 38 HD1 PHE 6 1HD PHE 6 -5.256 4.178 -2.279 39 HD2 PHE 6 2HD PHE 6 -4.369 6.448 1.258 40 HE1 PHE 6 1HE PHE 6 -5.802 2.206 -0.879 41 HE2 PHE 6 2HE PHE 6 -4.912 4.477 2.656 42 HZ PHE 6 HZ PHE 6 -5.634 2.355 1.588 43 H GLN 7 H GLN 7 -2.396 7.201 -3.990 44 HA GLN 7 HA GLN 7 -1.841 4.353 -4.557 45 1HB GLN 7 2HB GLN 7 -3.201 5.563 -6.181 46 2HB GLN 7 1HB GLN 7 -1.951 6.786 -6.369 47 1HG GLN 7 2HG GLN 7 -1.318 3.888 -6.876 48 2HG GLN 7 1HG GLN 7 -2.105 4.854 -8.122 49 1HE2 GLN 7 1HE2 GLN 7 -0.325 7.121 -6.533 50 2HE2 GLN 7 2HE2 GLN 7 1.126 7.026 -7.407 51 H LYS 8 H LYS 8 -0.164 7.269 -3.838 52 HA LYS 8 HA LYS 8 2.350 6.357 -5.086 53 1HB LYS 8 2HB LYS 8 1.865 8.760 -3.308 54 2HB LYS 8 1HB LYS 8 3.247 8.486 -4.367 55 1HG LYS 8 2HG LYS 8 0.497 8.437 -5.571 56 2HG LYS 8 1HG LYS 8 1.203 9.997 -5.161 57 1HD LYS 8 2HD LYS 8 2.862 8.012 -6.690 58 2HD LYS 8 1HD LYS 8 1.622 8.928 -7.546 59 1HE LYS 8 2HE LYS 8 2.615 11.038 -6.709 60 2HE LYS 8 1HE LYS 8 3.874 10.112 -5.892 61 1HZ LYS 8 1HZ LYS 8 5.004 10.012 -7.773 62 2HZ LYS 8 2HZ LYS 8 3.828 10.969 -8.538 63 3HZ LYS 8 3HZ LYS 8 3.700 9.275 -8.569 64 H LYS 9 H LYS 9 1.207 7.051 -1.748 65 HA LYS 9 HA LYS 9 3.679 5.848 -0.685 66 1HB LYS 9 2HB LYS 9 2.525 6.423 1.553 67 2HB LYS 9 1HB LYS 9 3.038 7.759 0.524 68 1HG LYS 9 2HG LYS 9 0.772 7.995 -0.359 69 2HG LYS 9 1HG LYS 9 0.237 6.599 0.578 70 1HD LYS 9 2HD LYS 9 1.058 7.886 2.649 71 2HD LYS 9 1HD LYS 9 1.131 9.300 1.597 72 1HE LYS 9 2HE LYS 9 -1.257 7.768 2.553 73 2HE LYS 9 1HE LYS 9 -1.038 9.510 2.387 74 1HZ LYS 9 1HZ LYS 9 -1.313 9.386 0.075 75 2HZ LYS 9 2HZ LYS 9 -2.543 8.404 0.718 76 3HZ LYS 9 3HZ LYS 9 -1.149 7.698 0.050 77 H HIS 10 H HIS 10 0.170 5.087 -0.584 78 HA HIS 10 HA HIS 10 0.724 2.669 0.983 79 1HB HIS 10 2HB HIS 10 -1.761 3.902 -0.178 80 2HB HIS 10 1HB HIS 10 -1.790 2.254 0.446 81 HD1 HIS 10 1HD HIS 10 -0.651 2.085 2.998 82 HD2 HIS 10 2HD HIS 10 -2.204 5.769 1.804 83 HE1 HIS 10 1HE HIS 10 -1.018 3.431 5.115 84 HE2 HIS 10 2HE HIS 10 -1.963 5.673 4.399 85 H LEU 11 H LEU 11 0.995 3.353 -2.324 86 HA LEU 11 HA LEU 11 0.946 0.426 -2.872 87 1HB LEU 11 2HB LEU 11 -0.617 2.529 -4.357 88 2HB LEU 11 1HB LEU 11 -0.149 1.019 -5.132 89 HG LEU 11 HG LEU 11 -1.168 0.142 -2.724 90 1HD1 LEU 11 1HD1 LEU 11 -3.347 1.286 -2.464 91 2HD1 LEU 11 2HD1 LEU 11 -2.857 2.463 -3.682 92 3HD1 LEU 11 3HD1 LEU 11 -1.994 2.372 -2.148 93 1HD2 LEU 11 1HD2 LEU 11 -2.539 0.527 -5.397 94 2HD2 LEU 11 2HD2 LEU 11 -3.193 -0.469 -4.097 95 3HD2 LEU 11 3HD2 LEU 11 -1.657 -0.899 -4.851 96 H THR 12 H THR 12 2.146 -0.213 -4.720 97 HA THR 12 HA THR 12 3.947 1.868 -5.877 98 HB THR 12 HB THR 12 5.281 0.934 -4.097 99 HG1 THR 12 1HG THR 12 6.437 -0.651 -5.900 100 1HG2 THR 12 1HG2 THR 12 4.821 -1.134 -3.319 101 2HG2 THR 12 2HG2 THR 12 5.524 -1.806 -4.787 102 3HG2 THR 12 3HG2 THR 12 3.798 -1.467 -4.715 103 H ASP 13 H ASP 13 5.541 0.070 -7.371 104 HA ASP 13 HA ASP 13 3.475 -1.185 -9.147 105 1HB ASP 13 2HB ASP 13 5.030 -0.644 -11.027 106 2HB ASP 13 1HB ASP 13 4.416 0.791 -10.205 107 H THR 14 H THR 14 5.916 -2.002 -7.046 108 HA THR 14 HA THR 14 6.403 -4.526 -8.566 109 HB THR 14 HB THR 14 8.340 -3.007 -8.939 110 HG1 THR 14 1HG THR 14 9.644 -4.702 -7.375 111 1HG2 THR 14 1HG2 THR 14 8.053 -1.835 -6.713 112 2HG2 THR 14 2HG2 THR 14 9.712 -2.290 -7.104 113 3HG2 THR 14 3HG2 THR 14 8.780 -3.253 -5.958 114 H LYS 15 H LYS 15 6.923 -6.330 -7.216 115 HA LYS 15 HA LYS 15 5.691 -6.222 -4.585 116 1HB LYS 15 2HB LYS 15 6.357 -8.611 -4.457 117 2HB LYS 15 1HB LYS 15 5.534 -8.247 -5.974 118 1HG LYS 15 2HG LYS 15 7.867 -7.867 -6.970 119 2HG LYS 15 1HG LYS 15 8.496 -8.631 -5.510 120 1HD LYS 15 2HD LYS 15 6.452 -9.899 -7.357 121 2HD LYS 15 1HD LYS 15 8.181 -10.245 -7.398 122 1HE LYS 15 2HE LYS 15 7.949 -10.812 -4.895 123 2HE LYS 15 1HE LYS 15 6.211 -10.837 -5.188 124 1HZ LYS 15 1HZ LYS 15 8.231 -12.733 -5.967 125 2HZ LYS 15 2HZ LYS 15 7.176 -12.309 -7.229 126 3HZ LYS 15 3HZ LYS 15 6.560 -12.945 -5.780 127 H LYS 16 H LYS 16 8.868 -5.770 -5.830 128 HA LYS 16 HA LYS 16 9.985 -5.860 -3.048 129 1HB LYS 16 2HB LYS 16 12.206 -6.235 -4.199 130 2HB LYS 16 1HB LYS 16 11.067 -7.570 -4.363 131 1HG LYS 16 2HG LYS 16 10.351 -6.424 -6.578 132 2HG LYS 16 1HG LYS 16 11.851 -5.510 -6.426 133 1HD LYS 16 2HD LYS 16 13.026 -7.763 -6.139 134 2HD LYS 16 1HD LYS 16 11.517 -8.502 -6.677 135 1HE LYS 16 2HE LYS 16 13.370 -6.686 -8.208 136 2HE LYS 16 1HE LYS 16 12.739 -8.265 -8.676 137 1HZ LYS 16 1HZ LYS 16 11.007 -5.895 -8.283 138 2HZ LYS 16 2HZ LYS 16 10.606 -7.368 -9.027 139 3HZ LYS 16 3HZ LYS 16 11.684 -6.295 -9.785 140 H VAL 17 H VAL 17 8.926 -3.567 -3.265 141 HA VAL 17 HA VAL 17 9.937 -1.534 -4.911 142 HB VAL 17 HB VAL 17 9.366 0.037 -3.103 143 1HG1 VAL 17 1HG1 VAL 17 7.004 -0.893 -2.673 144 2HG1 VAL 17 2HG1 VAL 17 7.512 -2.270 -3.652 145 3HG1 VAL 17 3HG1 VAL 17 7.495 -0.652 -4.349 146 1HG2 VAL 17 1HG2 VAL 17 8.409 -1.121 -0.977 147 2HG2 VAL 17 2HG2 VAL 17 10.160 -0.978 -1.129 148 3HG2 VAL 17 3HG2 VAL 17 9.366 -2.511 -1.488 149 H LYS 18 H LYS 18 11.386 0.274 -4.141 150 HA LYS 18 HA LYS 18 13.883 -0.920 -3.051 151 1HB LYS 18 2HB LYS 18 14.861 1.313 -3.905 152 2HB LYS 18 1HB LYS 18 14.337 0.154 -5.126 153 1HG LYS 18 2HG LYS 18 12.190 1.326 -5.351 154 2HG LYS 18 1HG LYS 18 12.664 2.462 -4.090 155 1HD LYS 18 2HD LYS 18 13.309 3.712 -5.917 156 2HD LYS 18 1HD LYS 18 14.785 2.769 -5.721 157 1HE LYS 18 2HE LYS 18 12.479 2.017 -7.545 158 2HE LYS 18 1HE LYS 18 13.980 2.775 -8.075 159 1HZ LYS 18 1HZ LYS 18 14.538 0.616 -8.373 160 2HZ LYS 18 2HZ LYS 18 13.494 0.046 -7.159 161 3HZ LYS 18 3HZ LYS 18 14.983 0.749 -6.742 162 H CYS 19 H CYS 19 12.522 -0.789 -0.976 163 HA CYS 19 HA CYS 19 11.581 1.315 0.404 164 1HB CYS 19 2HB CYS 19 13.539 -0.769 1.367 165 2HB CYS 19 1HB CYS 19 12.789 0.392 2.463 166 H ASP 20 H ASP 20 14.989 0.922 -0.433 167 HA ASP 20 HA ASP 20 16.182 2.828 1.246 168 1HB ASP 20 2HB ASP 20 17.514 1.450 -0.265 169 2HB ASP 20 1HB ASP 20 16.782 2.232 -1.667 170 H VAL 21 H VAL 21 14.409 3.303 -1.771 171 HA VAL 21 HA VAL 21 14.563 6.254 -1.365 172 HB VAL 21 HB VAL 21 13.322 5.083 -3.810 173 1HG1 VAL 21 1HG1 VAL 21 14.148 7.024 -4.833 174 2HG1 VAL 21 2HG1 VAL 21 15.467 7.192 -3.675 175 3HG1 VAL 21 3HG1 VAL 21 13.818 7.585 -3.196 176 1HG2 VAL 21 1HG2 VAL 21 15.215 3.589 -3.569 177 2HG2 VAL 21 2HG2 VAL 21 16.286 4.938 -3.192 178 3HG2 VAL 21 3HG2 VAL 21 15.613 4.774 -4.814 179 H GLU 22 H GLU 22 12.367 3.499 -1.640 180 HA GLU 22 HA GLU 22 9.903 4.913 -1.773 181 1HB GLU 22 2HB GLU 22 10.681 2.231 -1.491 182 2HB GLU 22 1HB GLU 22 9.745 2.571 -0.036 183 1HG GLU 22 2HG GLU 22 8.188 1.824 -1.708 184 2HG GLU 22 1HG GLU 22 7.962 3.566 -1.542 185 H MET 23 H MET 23 12.299 5.004 0.534 186 HA MET 23 HA MET 23 10.411 6.090 2.593 187 1HB MET 23 2HB MET 23 12.947 4.484 3.036 188 2HB MET 23 1HB MET 23 12.018 5.269 4.313 189 1HG MET 23 2HG MET 23 10.002 3.925 3.396 190 2HG MET 23 1HG MET 23 11.211 2.953 2.558 191 1HE MET 23 1HE MET 23 10.237 3.407 6.924 192 2HE MET 23 2HE MET 23 9.993 4.538 5.598 193 3HE MET 23 3HE MET 23 11.529 4.518 6.458 194 H ALA 24 H ALA 24 13.775 6.130 1.376 195 HA ALA 24 HA ALA 24 14.459 8.559 2.781 196 1HB ALA 24 1HB ALA 24 16.107 6.868 1.877 197 2HB ALA 24 2HB ALA 24 16.479 8.543 1.464 198 3HB ALA 24 3HB ALA 24 15.748 7.480 0.262 199 H LYS 25 H LYS 25 12.213 8.139 0.455 200 HA LYS 25 HA LYS 25 12.714 10.088 -1.528 201 1HB LYS 25 2HB LYS 25 10.270 8.891 -0.300 202 2HB LYS 25 1HB LYS 25 10.042 10.360 -1.241 203 1HG LYS 25 2HG LYS 25 10.517 9.332 -3.227 204 2HG LYS 25 1HG LYS 25 11.784 8.334 -2.524 205 1HD LYS 25 2HD LYS 25 10.187 6.724 -2.997 206 2HD LYS 25 1HD LYS 25 9.756 7.120 -1.335 207 1HE LYS 25 2HE LYS 25 8.371 7.883 -3.888 208 2HE LYS 25 1HE LYS 25 7.681 7.271 -2.385 209 1HZ LYS 25 1HZ LYS 25 7.307 9.687 -2.844 210 2HZ LYS 25 2HZ LYS 25 8.971 9.929 -2.603 211 3HZ LYS 25 3HZ LYS 25 8.004 9.341 -1.336 212 H ALA 26 H ALA 26 10.722 12.034 -1.318 213 HA ALA 26 HA ALA 26 11.815 13.729 0.879 214 1HB ALA 26 1HB ALA 26 10.411 14.389 -1.720 215 2HB ALA 26 2HB ALA 26 12.078 14.754 -1.275 216 3HB ALA 26 3HB ALA 26 10.749 15.595 -0.477 217 H LEU 27 H LEU 27 9.022 11.966 -0.028 218 HA LEU 27 HA LEU 27 7.243 13.686 1.629 219 1HB LEU 27 2HB LEU 27 5.417 12.574 0.643 220 2HB LEU 27 1HB LEU 27 6.585 12.693 -0.668 221 HG LEU 27 HG LEU 27 7.396 10.341 0.209 222 1HD1 LEU 27 1HD1 LEU 27 4.919 9.272 0.825 223 2HD1 LEU 27 2HD1 LEU 27 4.897 10.792 1.715 224 3HD1 LEU 27 3HD1 LEU 27 6.185 9.627 1.995 225 1HD2 LEU 27 1HD2 LEU 27 6.329 10.865 -2.004 226 2HD2 LEU 27 2HD2 LEU 27 4.753 10.599 -1.260 227 3HD2 LEU 27 3HD2 LEU 27 5.904 9.270 -1.386 228 H PHE 28 H PHE 28 9.382 11.234 2.127 229 HA PHE 28 HA PHE 28 7.784 10.104 4.403 230 1HB PHE 28 2HB PHE 28 9.825 8.881 2.562 231 2HB PHE 28 1HB PHE 28 9.628 8.236 4.190 232 HD1 PHE 28 1HD PHE 28 8.571 7.860 0.890 233 HD2 PHE 28 2HD PHE 28 7.009 7.982 4.890 234 HE1 PHE 28 1HE PHE 28 6.575 6.594 0.149 235 HE2 PHE 28 2HE PHE 28 5.012 6.715 4.148 236 HZ PHE 28 HZ PHE 28 4.795 6.020 1.777 237 H ASP 29 H ASP 29 10.955 11.288 3.344 238 HA ASP 29 HA ASP 29 12.622 12.376 4.592 239 1HB ASP 29 2HB ASP 29 11.073 12.027 7.141 240 2HB ASP 29 1HB ASP 29 12.072 13.380 6.616 241 H CYS 30 H CYS 30 12.795 9.626 4.093 242 HA CYS 30 HA CYS 30 13.776 7.634 4.890 243 1HB CYS 30 2HB CYS 30 15.702 9.180 4.820 244 2HB CYS 30 1HB CYS 30 15.348 9.695 6.468 245 H LYS 31 H LYS 31 11.506 7.533 6.108 246 HA LYS 31 HA LYS 31 11.463 7.958 8.947 247 1HB LYS 31 2HB LYS 31 9.837 5.794 7.628 248 2HB LYS 31 1HB LYS 31 9.382 6.880 8.937 249 1HG LYS 31 2HG LYS 31 10.038 8.358 6.493 250 2HG LYS 31 1HG LYS 31 8.744 7.197 6.226 251 1HD LYS 31 2HD LYS 31 8.800 9.241 8.463 252 2HD LYS 31 1HD LYS 31 7.898 9.416 6.959 253 1HE LYS 31 2HE LYS 31 6.185 8.316 7.942 254 2HE LYS 31 1HE LYS 31 7.194 6.870 7.963 255 1HZ LYS 31 1HZ LYS 31 6.972 7.041 10.167 256 2HZ LYS 31 2HZ LYS 31 6.503 8.672 10.109 257 3HZ LYS 31 3HZ LYS 31 8.149 8.255 10.055 258 H LYS 32 H LYS 32 10.417 5.109 9.381 259 HA LYS 32 HA LYS 32 13.037 3.671 9.508 260 1HB LYS 32 2HB LYS 32 12.423 2.889 11.790 261 2HB LYS 32 1HB LYS 32 12.638 4.637 11.723 262 1HG LYS 32 2HG LYS 32 10.225 4.971 11.576 263 2HG LYS 32 1HG LYS 32 9.958 3.229 11.522 264 1HD LYS 32 2HD LYS 32 11.504 4.378 13.825 265 2HD LYS 32 1HD LYS 32 9.749 4.544 13.814 266 1HE LYS 32 2HE LYS 32 10.970 1.856 13.248 267 2HE LYS 32 1HE LYS 32 10.846 2.417 14.914 268 1HZ LYS 32 1HZ LYS 32 8.465 2.765 13.296 269 2HZ LYS 32 2HZ LYS 32 8.624 2.237 14.904 270 3HZ LYS 32 3HZ LYS 32 8.887 1.154 13.622 271 H THR 33 H THR 33 9.534 3.576 9.312 272 HA THR 33 HA THR 33 9.726 0.766 8.332 273 HB THR 33 HB THR 33 7.550 1.750 10.201 274 HG1 THR 33 1HG THR 33 9.944 0.330 10.643 275 1HG2 THR 33 1HG2 THR 33 7.122 -0.734 10.354 276 2HG2 THR 33 2HG2 THR 33 8.272 -0.947 9.033 277 3HG2 THR 33 3HG2 THR 33 6.787 -0.031 8.771 278 H ASN 34 H ASN 34 8.074 0.254 6.764 279 HA ASN 34 HA ASN 34 6.130 2.329 6.024 280 1HB ASN 34 2HB ASN 34 8.415 2.920 4.967 281 2HB ASN 34 1HB ASN 34 8.150 1.516 3.936 282 1HD2 ASN 34 1HD2 ASN 34 8.059 4.577 3.395 283 2HD2 ASN 34 2HD2 ASN 34 6.581 4.791 2.588 284 H THR 35 H THR 35 4.559 1.533 4.517 285 HA THR 35 HA THR 35 4.813 -1.326 3.721 286 HB THR 35 HB THR 35 2.465 -0.127 5.222 287 HG1 THR 35 1HG THR 35 3.241 -2.245 6.404 288 1HG2 THR 35 1HG2 THR 35 2.856 -2.762 3.803 289 2HG2 THR 35 2HG2 THR 35 1.536 -1.608 3.617 290 3HG2 THR 35 3HG2 THR 35 1.669 -2.565 5.092 291 H PHE 36 H PHE 36 3.498 -1.883 1.903 292 HA PHE 36 HA PHE 36 1.821 0.207 0.666 293 1HB PHE 36 2HB PHE 36 3.837 -0.884 -1.232 294 2HB PHE 36 1HB PHE 36 3.101 0.709 -1.177 295 HD1 PHE 36 1HD PHE 36 5.386 -1.402 0.934 296 HD2 PHE 36 2HD PHE 36 4.504 2.484 -0.657 297 HE1 PHE 36 1HE PHE 36 7.450 -0.512 1.970 298 HE2 PHE 36 2HE PHE 36 6.567 3.379 0.383 299 HZ PHE 36 HZ PHE 36 8.044 1.878 1.689 300 H ILE 37 H ILE 37 1.051 -0.795 -1.603 301 HA ILE 37 HA ILE 37 0.630 -3.727 -1.172 302 HB ILE 37 HB ILE 37 -1.353 -1.878 -2.494 303 1HG1 ILE 37 2HG1 ILE 37 -1.729 -2.901 0.309 304 2HG1 ILE 37 1HG1 ILE 37 -0.754 -1.455 0.062 305 1HG2 ILE 37 1HG2 ILE 37 -1.395 -4.715 -1.479 306 2HG2 ILE 37 2HG2 ILE 37 -1.779 -4.121 -3.092 307 3HG2 ILE 37 3HG2 ILE 37 -2.882 -3.808 -1.754 308 1HD1 ILE 37 1HD1 ILE 37 -3.489 -1.717 -1.178 309 2HD1 ILE 37 2HD1 ILE 37 -2.552 -0.252 -0.879 310 3HD1 ILE 37 3HD1 ILE 37 -3.280 -1.123 0.470 311 H TYR 38 H TYR 38 1.076 -5.033 -2.895 312 HA TYR 38 HA TYR 38 2.154 -3.709 -5.317 313 1HB TYR 38 2HB TYR 38 3.458 -5.556 -4.441 314 2HB TYR 38 1HB TYR 38 2.049 -6.612 -4.454 315 HD1 TYR 38 1HD TYR 38 3.721 -4.289 -6.894 316 HD2 TYR 38 2HD TYR 38 2.032 -8.174 -6.174 317 HE1 TYR 38 1HE TYR 38 4.212 -4.938 -9.236 318 HE2 TYR 38 2HE TYR 38 2.525 -8.821 -8.516 319 HH TYR 38 HH TYR 38 4.528 -6.910 -10.567 320 H ALA 39 H ALA 39 0.346 -2.948 -6.449 321 HA ALA 39 HA ALA 39 -1.270 -5.033 -7.779 322 1HB ALA 39 1HB ALA 39 -2.471 -2.820 -6.089 323 2HB ALA 39 2HB ALA 39 -2.673 -4.558 -5.867 324 3HB ALA 39 3HB ALA 39 -3.391 -3.759 -7.265 325 H LEU 40 H LEU 40 -2.141 -4.280 -9.783 326 HA LEU 40 HA LEU 40 -0.780 -1.877 -10.800 327 1HB LEU 40 2HB LEU 40 -0.965 -2.817 -12.880 328 2HB LEU 40 1HB LEU 40 -1.168 -4.283 -11.930 329 HG LEU 40 HG LEU 40 -3.741 -3.532 -12.008 330 1HD1 LEU 40 1HD1 LEU 40 -2.723 -2.575 -14.684 331 2HD1 LEU 40 2HD1 LEU 40 -2.974 -1.458 -13.348 332 3HD1 LEU 40 3HD1 LEU 40 -4.330 -2.376 -13.994 333 1HD2 LEU 40 1HD2 LEU 40 -2.236 -4.887 -14.265 334 2HD2 LEU 40 2HD2 LEU 40 -3.978 -4.988 -14.013 335 3HD2 LEU 40 3HD2 LEU 40 -2.873 -5.673 -12.821 336 HA PRO 41 HA PRO 41 -3.899 1.176 -10.322 337 1HB PRO 41 2HB PRO 41 -3.899 1.416 -13.298 338 2HB PRO 41 1HB PRO 41 -3.709 2.673 -12.065 339 1HG PRO 41 2HG PRO 41 -1.654 1.574 -13.512 340 2HG PRO 41 1HG PRO 41 -1.474 2.388 -11.951 341 1HD PRO 41 2HD PRO 41 -1.082 -0.421 -12.561 342 2HD PRO 41 1HD PRO 41 -0.804 0.422 -11.023 343 H GLY 42 H GLY 42 -4.534 -0.667 -13.328 344 1HA GLY 42 2HA GLY 42 -7.331 -0.381 -13.349 345 2HA GLY 42 1HA GLY 42 -6.491 -1.761 -14.049 346 H ARG 43 H ARG 43 -5.482 -3.093 -11.922 347 HA ARG 43 HA ARG 43 -7.731 -4.449 -10.837 348 1HB ARG 43 2HB ARG 43 -5.404 -5.385 -11.074 349 2HB ARG 43 1HB ARG 43 -4.933 -4.413 -9.680 350 1HG ARG 43 2HG ARG 43 -6.614 -5.539 -8.295 351 2HG ARG 43 1HG ARG 43 -7.156 -6.477 -9.686 352 1HD ARG 43 2HD ARG 43 -4.923 -7.505 -9.873 353 2HD ARG 43 1HD ARG 43 -4.371 -6.562 -8.488 354 HE ARG 43 HE ARG 43 -6.576 -7.902 -7.506 355 1HH1 ARG 43 1HH2 ARG 43 -3.707 -8.769 -9.209 356 2HH1 ARG 43 2HH2 ARG 43 -3.602 -10.344 -8.500 357 1HH2 ARG 43 1HH1 ARG 43 -6.456 -9.956 -6.570 358 2HH2 ARG 43 2HH1 ARG 43 -5.159 -11.017 -7.006 359 H VAL 44 H VAL 44 -5.857 -1.722 -9.608 360 HA VAL 44 HA VAL 44 -6.975 -1.901 -6.923 361 HB VAL 44 HB VAL 44 -5.618 0.435 -8.304 362 1HG1 VAL 44 1HG1 VAL 44 -6.449 -0.140 -5.462 363 2HG1 VAL 44 2HG1 VAL 44 -6.709 1.323 -6.412 364 3HG1 VAL 44 3HG1 VAL 44 -5.099 0.941 -5.803 365 1HG2 VAL 44 1HG2 VAL 44 -4.416 -1.537 -6.349 366 2HG2 VAL 44 2HG2 VAL 44 -3.574 -0.361 -7.359 367 3HG2 VAL 44 3HG2 VAL 44 -4.329 -1.775 -8.094 368 H LYS 45 H LYS 45 -7.458 0.470 -9.575 369 HA LYS 45 HA LYS 45 -9.726 1.709 -8.320 370 1HB LYS 45 2HB LYS 45 -10.092 2.792 -10.460 371 2HB LYS 45 1HB LYS 45 -8.354 2.723 -10.172 372 1HG LYS 45 2HG LYS 45 -8.418 0.499 -11.489 373 2HG LYS 45 1HG LYS 45 -10.013 1.021 -12.031 374 1HD LYS 45 2HD LYS 45 -7.409 2.531 -12.400 375 2HD LYS 45 1HD LYS 45 -8.341 1.727 -13.663 376 1HE LYS 45 2HE LYS 45 -8.989 3.992 -13.846 377 2HE LYS 45 1HE LYS 45 -10.294 3.258 -12.915 378 1HZ LYS 45 1HZ LYS 45 -9.776 4.452 -11.123 379 2HZ LYS 45 2HZ LYS 45 -8.858 5.427 -12.168 380 3HZ LYS 45 3HZ LYS 45 -8.110 4.178 -11.293 381 H ALA 46 H ALA 46 -9.318 -1.221 -10.070 382 HA ALA 46 HA ALA 46 -12.078 -1.497 -10.954 383 1HB ALA 46 1HB ALA 46 -10.382 -2.699 -12.176 384 2HB ALA 46 2HB ALA 46 -11.355 -3.903 -11.333 385 3HB ALA 46 3HB ALA 46 -9.775 -3.449 -10.701 386 H LEU 47 H LEU 47 -10.170 -2.597 -8.174 387 HA LEU 47 HA LEU 47 -12.161 -4.337 -7.073 388 1HB LEU 47 2HB LEU 47 -9.838 -2.826 -5.870 389 2HB LEU 47 1HB LEU 47 -10.895 -3.833 -4.882 390 HG LEU 47 HG LEU 47 -9.712 -4.977 -7.401 391 1HD1 LEU 47 1HD1 LEU 47 -7.815 -3.965 -6.173 392 2HD1 LEU 47 2HD1 LEU 47 -7.744 -5.726 -6.130 393 3HD1 LEU 47 3HD1 LEU 47 -8.304 -4.831 -4.717 394 1HD2 LEU 47 1HD2 LEU 47 -9.806 -7.053 -6.004 395 2HD2 LEU 47 2HD2 LEU 47 -11.385 -6.296 -6.199 396 3HD2 LEU 47 3HD2 LEU 47 -10.495 -6.101 -4.689 397 H CYS 48 H CYS 48 -12.412 -1.094 -7.641 398 HA CYS 48 HA CYS 48 -14.410 -0.788 -5.435 399 1HB CYS 48 2HB CYS 48 -12.145 1.018 -6.204 400 2HB CYS 48 1HB CYS 48 -13.651 1.761 -5.674 401 H LYS 49 H LYS 49 -14.812 -1.589 -8.211 402 HA LYS 49 HA LYS 49 -15.871 0.816 -9.546 403 1HB LYS 49 2HB LYS 49 -16.295 -0.631 -11.419 404 2HB LYS 49 1HB LYS 49 -14.712 -1.066 -10.775 405 1HG LYS 49 2HG LYS 49 -15.986 -2.820 -9.360 406 2HG LYS 49 1HG LYS 49 -17.330 -2.540 -10.465 407 1HD LYS 49 2HD LYS 49 -14.544 -3.244 -11.425 408 2HD LYS 49 1HD LYS 49 -15.776 -4.460 -11.093 409 1HE LYS 49 2HE LYS 49 -15.988 -2.192 -13.094 410 2HE LYS 49 1HE LYS 49 -15.821 -3.908 -13.467 411 1HZ LYS 49 1HZ LYS 49 -18.026 -3.974 -13.455 412 2HZ LYS 49 2HZ LYS 49 -18.159 -2.424 -12.771 413 3HZ LYS 49 3HZ LYS 49 -17.957 -3.782 -11.771 414 H ASN 50 H ASN 50 -17.954 1.464 -9.387 415 HA ASN 50 HA ASN 50 -20.288 1.337 -9.118 416 1HB ASN 50 2HB ASN 50 -19.790 -1.135 -10.008 417 2HB ASN 50 1HB ASN 50 -20.216 -1.554 -8.348 418 1HD2 ASN 50 1HD2 ASN 50 -21.495 0.835 -10.750 419 2HD2 ASN 50 2HD2 ASN 50 -23.118 0.380 -10.548 420 H ILE 51 H ILE 51 -18.009 1.156 -6.853 421 HA ILE 51 HA ILE 51 -19.260 0.152 -4.518 422 HB ILE 51 HB ILE 51 -17.386 2.522 -4.779 423 1HG1 ILE 51 2HG1 ILE 51 -16.742 0.121 -5.641 424 2HG1 ILE 51 1HG1 ILE 51 -15.605 1.012 -4.633 425 1HG2 ILE 51 1HG2 ILE 51 -16.811 1.707 -2.374 426 2HG2 ILE 51 2HG2 ILE 51 -18.391 0.929 -2.427 427 3HG2 ILE 51 3HG2 ILE 51 -18.261 2.679 -2.602 428 1HD1 ILE 51 1HD1 ILE 51 -16.059 -0.286 -2.739 429 2HD1 ILE 51 2HD1 ILE 51 -16.149 -1.478 -4.035 430 3HD1 ILE 51 3HD1 ILE 51 -17.627 -0.810 -3.349 431 H ARG 52 H ARG 52 -19.910 1.776 -2.657 432 HA ARG 52 HA ARG 52 -22.044 3.522 -3.795 433 1HB ARG 52 2HB ARG 52 -22.796 1.742 -2.271 434 2HB ARG 52 1HB ARG 52 -21.730 2.368 -1.013 435 1HG ARG 52 2HG ARG 52 -22.957 4.450 -0.915 436 2HG ARG 52 1HG ARG 52 -23.925 3.998 -2.319 437 1HD ARG 52 2HD ARG 52 -24.967 2.187 -1.094 438 2HD ARG 52 1HD ARG 52 -23.891 2.439 0.279 439 HE ARG 52 HE ARG 52 -25.481 4.795 -0.414 440 1HH1 ARG 52 1HH2 ARG 52 -25.254 1.828 1.328 441 2HH1 ARG 52 2HH2 ARG 52 -26.410 2.292 2.532 442 1HH2 ARG 52 1HH1 ARG 52 -26.992 5.417 1.148 443 2HH2 ARG 52 2HH1 ARG 52 -27.393 4.324 2.430 444 H ASP 53 H ASP 53 -19.912 3.530 -0.932 445 HA ASP 53 HA ASP 53 -18.906 6.193 -1.470 446 1HB ASP 53 2HB ASP 53 -21.368 6.507 -0.692 447 2HB ASP 53 1HB ASP 53 -20.756 6.068 0.902 448 H ASN 54 H ASN 54 -18.766 6.815 1.385 449 HA ASN 54 HA ASN 54 -16.286 5.521 1.978 450 1HB ASN 54 2HB ASN 54 -18.000 6.718 4.141 451 2HB ASN 54 1HB ASN 54 -16.252 6.815 3.926 452 1HD2 ASN 54 1HD2 ASN 54 -15.804 7.844 1.491 453 2HD2 ASN 54 2HD2 ASN 54 -16.627 9.307 1.242 454 H THR 55 H THR 55 -16.499 3.282 2.000 455 HA THR 55 HA THR 55 -18.025 2.166 4.312 456 HB THR 55 HB THR 55 -17.963 0.234 2.186 457 HG1 THR 55 1HG THR 55 -19.578 2.191 1.242 458 1HG2 THR 55 1HG2 THR 55 -20.442 0.417 2.428 459 2HG2 THR 55 2HG2 THR 55 -20.204 1.827 3.461 460 3HG2 THR 55 3HG2 THR 55 -19.613 0.246 3.975 461 H ASP 56 H ASP 56 -17.029 0.321 5.258 462 HA ASP 56 HA ASP 56 -14.133 0.155 4.743 463 1HB ASP 56 2HB ASP 56 -15.757 -1.387 6.781 464 2HB ASP 56 1HB ASP 56 -14.017 -1.092 6.795 465 H VAL 57 H VAL 57 -13.438 -1.226 3.209 466 HA VAL 57 HA VAL 57 -14.959 -3.766 2.772 467 HB VAL 57 HB VAL 57 -13.770 -3.777 0.543 468 1HG1 VAL 57 1HG1 VAL 57 -15.474 -1.347 1.178 469 2HG1 VAL 57 2HG1 VAL 57 -16.085 -2.955 0.787 470 3HG1 VAL 57 3HG1 VAL 57 -15.212 -2.023 -0.430 471 1HG2 VAL 57 1HG2 VAL 57 -11.950 -2.193 1.402 472 2HG2 VAL 57 2HG2 VAL 57 -13.126 -0.895 1.207 473 3HG2 VAL 57 3HG2 VAL 57 -12.599 -1.827 -0.195 474 H LEU 58 H LEU 58 -13.273 -5.485 1.789 475 HA LEU 58 HA LEU 58 -10.617 -5.374 3.020 476 1HB LEU 58 2HB LEU 58 -11.836 -5.949 4.999 477 2HB LEU 58 1HB LEU 58 -12.839 -7.103 4.130 478 HG LEU 58 HG LEU 58 -10.911 -8.581 3.807 479 1HD1 LEU 58 1HD1 LEU 58 -8.784 -7.980 5.058 480 2HD1 LEU 58 2HD1 LEU 58 -9.432 -6.354 5.216 481 3HD1 LEU 58 3HD1 LEU 58 -9.097 -7.017 3.621 482 1HD2 LEU 58 1HD2 LEU 58 -12.194 -8.823 5.873 483 2HD2 LEU 58 2HD2 LEU 58 -11.221 -7.573 6.648 484 3HD2 LEU 58 3HD2 LEU 58 -10.487 -9.113 6.201 485 H SER 59 H SER 59 -9.217 -6.876 2.007 486 HA SER 59 HA SER 59 -9.989 -7.954 -0.484 487 1HB SER 59 2HB SER 59 -7.691 -7.902 -0.303 488 2HB SER 59 1HB SER 59 -7.709 -8.418 1.379 489 HG SER 59 HG SER 59 -8.537 -10.125 -0.714 490 H ARG 60 H ARG 60 -10.537 -10.095 -1.147 491 HA ARG 60 HA ARG 60 -12.090 -11.560 0.895 492 1HB ARG 60 2HB ARG 60 -11.805 -12.204 -2.050 493 2HB ARG 60 1HB ARG 60 -13.075 -12.744 -0.953 494 1HG ARG 60 2HG ARG 60 -12.560 -9.840 -1.667 495 2HG ARG 60 1HG ARG 60 -13.789 -10.848 -2.429 496 1HD ARG 60 2HD ARG 60 -14.645 -11.294 -0.032 497 2HD ARG 60 1HD ARG 60 -13.650 -9.914 0.438 498 HE ARG 60 HE ARG 60 -15.264 -8.515 -0.545 499 1HH1 ARG 60 1HH2 ARG 60 -15.443 -11.733 -1.772 500 2HH1 ARG 60 2HH2 ARG 60 -16.858 -11.433 -2.724 501 1HH2 ARG 60 1HH1 ARG 60 -17.110 -8.106 -1.783 502 2HH2 ARG 60 2HH1 ARG 60 -17.802 -9.380 -2.730 503 H ASP 61 H ASP 61 -8.951 -11.593 0.347 504 HA ASP 61 HA ASP 61 -8.630 -14.337 1.226 505 1HB ASP 61 2HB ASP 61 -8.976 -14.785 -1.161 506 2HB ASP 61 1HB ASP 61 -7.722 -13.619 -1.578 507 H ALA 62 H ALA 62 -6.247 -12.820 -0.859 508 HA ALA 62 HA ALA 62 -4.884 -11.563 1.416 509 1HB ALA 62 1HB ALA 62 -4.112 -13.816 1.745 510 2HB ALA 62 2HB ALA 62 -2.789 -12.920 0.997 511 3HB ALA 62 3HB ALA 62 -3.776 -14.010 0.024 512 H PHE 63 H PHE 63 -2.722 -10.622 0.643 513 HA PHE 63 HA PHE 63 -2.536 -10.162 -2.260 514 1HB PHE 63 2HB PHE 63 -3.450 -8.087 -0.290 515 2HB PHE 63 1HB PHE 63 -2.426 -7.583 -1.634 516 HD1 PHE 63 1HD PHE 63 -5.657 -9.159 -0.726 517 HD2 PHE 63 2HD PHE 63 -3.239 -7.565 -3.899 518 HE1 PHE 63 1HE PHE 63 -7.619 -9.204 -2.244 519 HE2 PHE 63 2HE PHE 63 -5.201 -7.609 -5.415 520 HZ PHE 63 HZ PHE 63 -7.390 -8.429 -4.587 521 H LEU 64 H LEU 64 -0.415 -9.802 -2.822 522 HA LEU 64 HA LEU 64 1.604 -10.027 -0.725 523 1HB LEU 64 2HB LEU 64 1.668 -11.013 -3.122 524 2HB LEU 64 1HB LEU 64 2.141 -9.395 -3.630 525 HG LEU 64 HG LEU 64 3.603 -10.782 -1.380 526 1HD1 LEU 64 1HD1 LEU 64 3.726 -12.380 -3.175 527 2HD1 LEU 64 2HD1 LEU 64 5.258 -11.506 -3.151 528 3HD1 LEU 64 3HD1 LEU 64 4.035 -11.110 -4.359 529 1HD2 LEU 64 1HD2 LEU 64 4.201 -8.563 -3.353 530 2HD2 LEU 64 2HD2 LEU 64 5.476 -9.355 -2.430 531 3HD2 LEU 64 3HD2 LEU 64 4.196 -8.483 -1.591 532 H LEU 65 H LEU 65 2.202 -8.231 0.430 533 HA LEU 65 HA LEU 65 2.366 -5.648 -1.069 534 1HB LEU 65 2HB LEU 65 2.234 -5.086 1.710 535 2HB LEU 65 1HB LEU 65 1.036 -4.719 0.485 536 HG LEU 65 HG LEU 65 1.134 -7.466 1.687 537 1HD1 LEU 65 1HD1 LEU 65 1.070 -6.004 3.609 538 2HD1 LEU 65 2HD1 LEU 65 -0.576 -6.575 3.330 539 3HD1 LEU 65 3HD1 LEU 65 -0.109 -4.949 2.830 540 1HD2 LEU 65 1HD2 LEU 65 -1.274 -7.357 1.110 541 2HD2 LEU 65 2HD2 LEU 65 -0.284 -7.006 -0.307 542 3HD2 LEU 65 3HD2 LEU 65 -1.069 -5.694 0.568 543 HA PRO 66 HA PRO 66 6.653 -5.865 0.229 544 1HB PRO 66 2HB PRO 66 7.412 -3.370 -0.589 545 2HB PRO 66 1HB PRO 66 7.179 -4.721 -1.714 546 1HG PRO 66 2HG PRO 66 5.396 -2.425 -1.123 547 2HG PRO 66 1HG PRO 66 5.689 -3.257 -2.654 548 1HD PRO 66 2HD PRO 66 3.459 -3.666 -1.078 549 2HD PRO 66 1HD PRO 66 4.089 -4.849 -2.245 550 H GLN 67 H GLN 67 7.898 -4.973 2.030 551 HA GLN 67 HA GLN 67 6.639 -2.734 3.519 552 1HB GLN 67 2HB GLN 67 7.307 -5.346 4.893 553 2HB GLN 67 1HB GLN 67 6.465 -3.955 5.575 554 1HG GLN 67 2HG GLN 67 4.645 -4.304 3.878 555 2HG GLN 67 1HG GLN 67 5.457 -5.792 3.385 556 1HE2 GLN 67 1HE2 GLN 67 4.138 -7.433 4.242 557 2HE2 GLN 67 2HE2 GLN 67 3.664 -7.528 5.869 558 H CYS 68 H CYS 68 8.166 -1.406 4.335 559 HA CYS 68 HA CYS 68 11.003 -2.272 4.191 560 1HB CYS 68 2HB CYS 68 9.922 0.445 4.969 561 2HB CYS 68 1HB CYS 68 11.546 0.055 4.402 562 H ASP 69 H ASP 69 12.217 -2.683 6.020 563 HA ASP 69 HA ASP 69 11.000 -1.984 8.670 564 1HB ASP 69 2HB ASP 69 10.756 -4.445 7.985 565 2HB ASP 69 1HB ASP 69 12.507 -4.552 8.157 566 H ARG 70 H ARG 70 12.390 -0.449 9.442 567 HA ARG 70 HA ARG 70 15.244 -0.505 8.820 568 1HB ARG 70 2HB ARG 70 14.086 1.639 9.115 569 2HB ARG 70 1HB ARG 70 13.649 1.193 10.765 570 1HG ARG 70 2HG ARG 70 15.966 1.175 11.446 571 2HG ARG 70 1HG ARG 70 16.506 1.385 9.780 572 1HD ARG 70 2HD ARG 70 15.572 3.603 9.677 573 2HD ARG 70 1HD ARG 70 14.765 3.392 11.231 574 HE ARG 70 HE ARG 70 17.678 3.103 11.353 575 1HH1 ARG 70 1HH2 ARG 70 14.927 5.177 11.490 576 2HH1 ARG 70 2HH2 ARG 70 15.725 6.394 12.429 577 1HH2 ARG 70 1HH1 ARG 70 18.736 4.681 12.578 578 2HH2 ARG 70 2HH1 ARG 70 17.882 6.113 13.044 579 H ILE 71 H ILE 71 16.921 -0.683 10.521 580 HA ILE 71 HA ILE 71 16.265 -1.645 13.160 581 HB ILE 71 HB ILE 71 15.607 -3.665 11.953 582 1HG1 ILE 71 2HG1 ILE 71 18.346 -4.128 13.164 583 2HG1 ILE 71 1HG1 ILE 71 16.912 -3.794 14.137 584 1HG2 ILE 71 1HG2 ILE 71 18.429 -3.630 10.840 585 2HG2 ILE 71 2HG2 ILE 71 16.977 -3.230 9.922 586 3HG2 ILE 71 3HG2 ILE 71 17.208 -4.866 10.540 587 1HD1 ILE 71 1HD1 ILE 71 15.786 -5.757 13.205 588 2HD1 ILE 71 2HD1 ILE 71 17.334 -6.234 13.903 589 3HD1 ILE 71 3HD1 ILE 71 17.166 -6.075 12.155 590 H LYS 72 H LYS 72 18.613 -1.284 10.558 591 HA LYS 72 HA LYS 72 20.660 -0.637 12.608 592 1HB LYS 72 2HB LYS 72 20.720 -3.128 11.701 593 2HB LYS 72 1HB LYS 72 21.496 -2.381 10.309 594 1HG LYS 72 2HG LYS 72 23.203 -1.387 11.768 595 2HG LYS 72 1HG LYS 72 22.407 -2.068 13.186 596 1HD LYS 72 2HD LYS 72 22.727 -4.354 12.142 597 2HD LYS 72 1HD LYS 72 23.742 -3.577 10.926 598 1HE LYS 72 2HE LYS 72 25.192 -2.689 12.746 599 2HE LYS 72 1HE LYS 72 24.208 -3.560 13.923 600 1HZ LYS 72 1HZ LYS 72 26.381 -4.563 12.694 601 2HZ LYS 72 2HZ LYS 72 25.131 -5.177 11.722 602 3HZ LYS 72 3HZ LYS 72 25.149 -5.498 13.390 603 H LEU 73 H LEU 73 22.709 0.221 11.378 604 HA LEU 73 HA LEU 73 23.605 1.858 9.969 605 1HB LEU 73 2HB LEU 73 21.412 1.205 7.994 606 2HB LEU 73 1HB LEU 73 23.048 1.752 7.658 607 HG LEU 73 HG LEU 73 22.217 -0.959 8.704 608 1HD1 LEU 73 1HD1 LEU 73 22.012 -0.759 6.305 609 2HD1 LEU 73 2HD1 LEU 73 23.474 -1.686 6.646 610 3HD1 LEU 73 3HD1 LEU 73 23.594 0.013 6.188 611 1HD2 LEU 73 1HD2 LEU 73 24.933 0.361 8.508 612 2HD2 LEU 73 2HD2 LEU 73 24.740 -1.392 8.559 613 3HD2 LEU 73 3HD2 LEU 73 24.202 -0.406 9.918 614 HA PRO 74 HA PRO 74 21.022 5.416 10.509 615 1HB PRO 74 2HB PRO 74 21.794 6.903 8.174 616 2HB PRO 74 1HB PRO 74 22.473 7.014 9.805 617 1HG PRO 74 2HG PRO 74 23.795 6.043 7.569 618 2HG PRO 74 1HG PRO 74 24.269 5.768 9.253 619 1HD PRO 74 2HD PRO 74 22.835 3.937 7.374 620 2HD PRO 74 1HD PRO 74 23.982 3.551 8.679 621 H CYS 75 H CYS 75 20.999 5.237 6.925 622 HA CYS 75 HA CYS 75 18.007 5.369 7.057 623 1HB CYS 75 2HB CYS 75 19.317 7.371 6.102 624 2HB CYS 75 1HB CYS 75 19.682 6.319 4.733 625 H HIS 76 H HIS 76 18.850 2.856 7.202 626 HA HIS 76 HA HIS 76 18.611 1.812 4.399 627 1HB HIS 76 2HB HIS 76 20.843 1.428 5.737 628 2HB HIS 76 1HB HIS 76 19.899 0.217 6.605 629 HD1 HIS 76 1HD HIS 76 19.391 -1.964 5.406 630 HD2 HIS 76 2HD HIS 76 21.082 0.889 2.877 631 HE1 HIS 76 1HE HIS 76 19.907 -3.152 3.227 632 HE2 HIS 76 2HE HIS 76 20.936 -1.425 1.681 633 H TYR 77 H TYR 77 17.285 -0.098 4.187 634 HA TYR 77 HA TYR 77 15.660 -0.802 6.590 635 1HB TYR 77 2HB TYR 77 14.365 -0.468 3.893 636 2HB TYR 77 1HB TYR 77 13.609 -0.485 5.487 637 HD1 TYR 77 1HD TYR 77 13.540 1.489 6.869 638 HD2 TYR 77 2HD TYR 77 15.645 1.515 3.125 639 HE1 TYR 77 1HE TYR 77 13.716 3.958 6.986 640 HE2 TYR 77 2HE TYR 77 15.820 3.987 3.241 641 HH TYR 77 HH TYR 77 14.704 5.858 4.308 642 H LYS 78 H LYS 78 14.388 -2.843 6.192 643 HA LYS 78 HA LYS 78 15.998 -4.714 4.506 644 1HB LYS 78 2HB LYS 78 15.752 -5.080 7.046 645 2HB LYS 78 1HB LYS 78 14.071 -5.488 6.704 646 1HG LYS 78 2HG LYS 78 15.047 -7.594 6.567 647 2HG LYS 78 1HG LYS 78 15.157 -7.082 4.884 648 1HD LYS 78 2HD LYS 78 17.466 -6.331 5.237 649 2HD LYS 78 1HD LYS 78 17.361 -6.764 6.944 650 1HE LYS 78 2HE LYS 78 16.936 -9.125 6.297 651 2HE LYS 78 1HE LYS 78 17.126 -8.675 4.602 652 1HZ LYS 78 1HZ LYS 78 19.285 -7.769 6.258 653 2HZ LYS 78 2HZ LYS 78 19.328 -8.631 4.794 654 3HZ LYS 78 3HZ LYS 78 19.122 -9.457 6.264 655 H LEU 79 H LEU 79 14.918 -6.047 3.023 656 HA LEU 79 HA LEU 79 12.252 -5.099 2.210 657 1HB LEU 79 2HB LEU 79 14.342 -5.771 0.709 658 2HB LEU 79 1HB LEU 79 13.657 -7.386 0.866 659 HG LEU 79 HG LEU 79 12.750 -6.379 -1.137 660 1HD1 LEU 79 1HD1 LEU 79 10.577 -6.106 0.942 661 2HD1 LEU 79 2HD1 LEU 79 11.237 -7.676 0.483 662 3HD1 LEU 79 3HD1 LEU 79 10.432 -6.670 -0.722 663 1HD2 LEU 79 1HD2 LEU 79 13.106 -3.971 0.038 664 2HD2 LEU 79 2HD2 LEU 79 11.377 -4.168 0.326 665 3HD2 LEU 79 3HD2 LEU 79 12.008 -4.210 -1.319 666 H SER 80 H SER 80 10.454 -6.042 3.020 667 HA SER 80 HA SER 80 10.426 -8.984 3.433 668 1HB SER 80 2HB SER 80 10.955 -8.134 5.644 669 2HB SER 80 1HB SER 80 9.681 -6.923 5.530 670 HG SER 80 HG SER 80 9.187 -9.701 5.300 671 H SER 81 H SER 81 8.560 -9.803 2.584 672 HA SER 81 HA SER 81 6.135 -8.077 2.508 673 1HB SER 81 2HB SER 81 5.827 -8.278 0.190 674 2HB SER 81 1HB SER 81 7.564 -8.018 0.322 675 HG SER 81 HG SER 81 6.161 -10.210 -0.520 676 H SER 82 H SER 82 4.166 -9.369 2.007 677 HA SER 82 HA SER 82 4.332 -12.277 2.057 678 1HB SER 82 2HB SER 82 3.467 -10.765 4.535 679 2HB SER 82 1HB SER 82 3.046 -12.450 4.244 680 HG SER 82 HG SER 82 5.092 -11.852 5.458 681 H THR 83 H THR 83 2.092 -13.230 2.128 682 HA THR 83 HA THR 83 0.221 -11.383 0.756 683 HB THR 83 HB THR 83 -0.764 -13.911 0.420 684 HG1 THR 83 1HG THR 83 1.165 -14.620 1.586 685 1HG2 THR 83 1HG2 THR 83 -0.332 -12.272 -1.356 686 2HG2 THR 83 2HG2 THR 83 0.360 -13.836 -1.785 687 3HG2 THR 83 3HG2 THR 83 1.402 -12.544 -1.189 688 H ASN 84 H ASN 84 -1.459 -10.652 1.952 689 HA ASN 84 HA ASN 84 -2.949 -12.468 3.696 690 1HB ASN 84 2HB ASN 84 -2.685 -10.991 5.715 691 2HB ASN 84 1HB ASN 84 -1.204 -11.836 5.262 692 1HD2 ASN 84 1HD2 ASN 84 -2.862 -8.710 4.512 693 2HD2 ASN 84 2HD2 ASN 84 -1.434 -7.794 4.490 694 H THR 85 H THR 85 -5.004 -11.510 4.352 695 HA THR 85 HA THR 85 -6.108 -9.719 2.427 696 HB THR 85 HB THR 85 -7.500 -9.872 5.028 697 HG1 THR 85 1HG THR 85 -6.310 -11.817 5.066 698 1HG2 THR 85 1HG2 THR 85 -8.777 -9.278 3.117 699 2HG2 THR 85 2HG2 THR 85 -9.227 -10.943 3.477 700 3HG2 THR 85 3HG2 THR 85 -8.108 -10.601 2.162 701 H ILE 86 H ILE 86 -7.037 -7.535 2.944 702 HA ILE 86 HA ILE 86 -5.759 -6.143 5.219 703 HB ILE 86 HB ILE 86 -4.337 -4.821 4.018 704 1HG1 ILE 86 2HG1 ILE 86 -6.215 -3.669 2.819 705 2HG1 ILE 86 1HG1 ILE 86 -4.783 -3.874 1.824 706 1HG2 ILE 86 1HG2 ILE 86 -3.675 -7.056 3.327 707 2HG2 ILE 86 2HG2 ILE 86 -3.462 -5.945 1.975 708 3HG2 ILE 86 3HG2 ILE 86 -4.847 -7.035 2.008 709 1HD1 ILE 86 1HD1 ILE 86 -6.674 -6.132 1.657 710 2HD1 ILE 86 2HD1 ILE 86 -5.827 -5.270 0.373 711 3HD1 ILE 86 3HD1 ILE 86 -7.312 -4.603 1.051 712 H CYS 87 H CYS 87 -7.181 -4.728 6.106 713 HA CYS 87 HA CYS 87 -9.748 -4.282 4.771 714 1HB CYS 87 2HB CYS 87 -9.882 -2.804 7.057 715 2HB CYS 87 1HB CYS 87 -10.220 -4.529 6.997 716 H ILE 88 H ILE 88 -10.384 -2.419 3.801 717 HA ILE 88 HA ILE 88 -8.816 0.063 4.166 718 HB ILE 88 HB ILE 88 -7.547 -0.407 2.327 719 1HG1 ILE 88 2HG1 ILE 88 -10.135 -0.112 0.772 720 2HG1 ILE 88 1HG1 ILE 88 -9.250 1.251 1.456 721 1HG2 ILE 88 1HG2 ILE 88 -8.184 -2.769 2.361 722 2HG2 ILE 88 2HG2 ILE 88 -8.126 -2.189 0.701 723 3HG2 ILE 88 3HG2 ILE 88 -9.678 -2.400 1.507 724 1HD1 ILE 88 1HD1 ILE 88 -8.779 -0.079 -1.021 725 2HD1 ILE 88 2HD1 ILE 88 -7.387 -0.387 0.016 726 3HD1 ILE 88 3HD1 ILE 88 -7.881 1.271 -0.327 727 H THR 89 H THR 89 -9.987 1.959 3.300 728 HA THR 89 HA THR 89 -12.908 1.365 2.979 729 HB THR 89 HB THR 89 -11.410 3.456 4.453 730 HG1 THR 89 1HG THR 89 -12.939 3.023 5.884 731 1HG2 THR 89 1HG2 THR 89 -13.908 4.060 2.854 732 2HG2 THR 89 2HG2 THR 89 -12.382 4.945 2.841 733 3HG2 THR 89 3HG2 THR 89 -13.423 5.004 4.261 734 H CYS 90 H CYS 90 -13.962 2.131 1.211 735 HA CYS 90 HA CYS 90 -12.373 3.703 -0.788 736 1HB CYS 90 2HB CYS 90 -13.173 1.122 -1.098 737 2HB CYS 90 1HB CYS 90 -14.587 1.956 -1.735 738 H VAL 91 H VAL 91 -13.930 4.814 -2.412 739 HA VAL 91 HA VAL 91 -16.310 5.874 -0.928 740 HB VAL 91 HB VAL 91 -14.802 7.416 -3.037 741 1HG1 VAL 91 1HG1 VAL 91 -16.000 9.254 -2.253 742 2HG1 VAL 91 2HG1 VAL 91 -16.213 8.563 -0.645 743 3HG1 VAL 91 3HG1 VAL 91 -17.181 7.971 -1.992 744 1HG2 VAL 91 1HG2 VAL 91 -13.645 8.530 -1.082 745 2HG2 VAL 91 2HG2 VAL 91 -13.128 6.871 -1.387 746 3HG2 VAL 91 3HG2 VAL 91 -14.243 7.219 -0.066 747 H ASN 92 H ASN 92 -16.723 7.412 -3.608 748 HA ASN 92 HA ASN 92 -18.760 5.793 -4.667 749 1HB ASN 92 2HB ASN 92 -18.254 8.278 -5.135 750 2HB ASN 92 1HB ASN 92 -17.151 7.680 -6.376 751 1HD2 ASN 92 1HD2 ASN 92 -19.432 9.199 -7.129 752 2HD2 ASN 92 2HD2 ASN 92 -20.527 8.184 -7.936 753 H GLN 93 H GLN 93 -15.411 6.040 -5.577 754 HA GLN 93 HA GLN 93 -15.131 3.346 -6.387 755 1HB GLN 93 2HB GLN 93 -14.902 3.808 -8.910 756 2HB GLN 93 1HB GLN 93 -16.541 3.707 -8.269 757 1HG GLN 93 2HG GLN 93 -16.789 6.080 -8.260 758 2HG GLN 93 1HG GLN 93 -15.063 6.333 -8.517 759 1HE2 GLN 93 1HE2 GLN 93 -14.227 6.075 -10.688 760 2HE2 GLN 93 2HE2 GLN 93 -15.248 5.892 -12.031 761 H LEU 94 H LEU 94 -13.543 4.929 -4.894 762 HA LEU 94 HA LEU 94 -11.035 4.956 -6.420 763 1HB LEU 94 2HB LEU 94 -12.556 7.340 -6.218 764 2HB LEU 94 1HB LEU 94 -11.230 7.520 -5.077 765 HG LEU 94 HG LEU 94 -9.678 6.761 -6.966 766 1HD1 LEU 94 1HD1 LEU 94 -10.772 7.405 -9.262 767 2HD1 LEU 94 2HD1 LEU 94 -12.287 7.037 -8.440 768 3HD1 LEU 94 3HD1 LEU 94 -11.043 5.796 -8.597 769 1HD2 LEU 94 1HD2 LEU 94 -11.199 9.318 -7.529 770 2HD2 LEU 94 2HD2 LEU 94 -9.496 8.989 -7.841 771 3HD2 LEU 94 3HD2 LEU 94 -10.072 9.155 -6.183 772 HA PRO 95 HA PRO 95 -10.464 3.518 -2.078 773 1HB PRO 95 2HB PRO 95 -7.787 2.834 -3.174 774 2HB PRO 95 1HB PRO 95 -8.943 1.812 -2.305 775 1HG PRO 95 2HG PRO 95 -8.511 1.567 -4.939 776 2HG PRO 95 1HG PRO 95 -10.090 1.259 -4.200 777 1HD PRO 95 2HD PRO 95 -9.200 3.600 -5.828 778 2HD PRO 95 1HD PRO 95 -10.811 2.862 -5.690 779 H ILE 96 H ILE 96 -9.563 4.712 -0.370 780 HA ILE 96 HA ILE 96 -7.167 6.352 -0.917 781 HB ILE 96 HB ILE 96 -8.199 8.422 -0.070 782 1HG1 ILE 96 2HG1 ILE 96 -10.812 8.368 -0.139 783 2HG1 ILE 96 1HG1 ILE 96 -10.629 6.628 0.066 784 1HG2 ILE 96 1HG2 ILE 96 -9.308 8.998 -2.084 785 2HG2 ILE 96 2HG2 ILE 96 -9.874 7.350 -2.338 786 3HG2 ILE 96 3HG2 ILE 96 -8.168 7.735 -2.533 787 1HD1 ILE 96 1HD1 ILE 96 -9.029 8.295 1.933 788 2HD1 ILE 96 2HD1 ILE 96 -9.956 6.828 2.235 789 3HD1 ILE 96 3HD1 ILE 96 -10.777 8.382 2.140 790 H HIS 97 H HIS 97 -8.995 4.460 1.306 791 HA HIS 97 HA HIS 97 -7.270 5.552 3.515 792 1HB HIS 97 2HB HIS 97 -10.147 4.909 3.419 793 2HB HIS 97 1HB HIS 97 -9.308 4.267 4.830 794 HD1 HIS 97 1HD HIS 97 -7.284 6.493 5.371 795 HD2 HIS 97 2HD HIS 97 -11.280 7.237 4.429 796 HE1 HIS 97 1HE HIS 97 -7.813 8.806 6.261 797 HE2 HIS 97 2HE HIS 97 -10.241 9.269 5.693 798 H PHE 98 H PHE 98 -5.916 4.140 4.452 799 HA PHE 98 HA PHE 98 -6.150 1.251 3.722 800 1HB PHE 98 2HB PHE 98 -3.996 2.401 3.182 801 2HB PHE 98 1HB PHE 98 -3.795 2.773 4.893 802 HD1 PHE 98 1HD PHE 98 -4.082 -0.006 2.438 803 HD2 PHE 98 2HD PHE 98 -3.007 1.134 6.438 804 HE1 PHE 98 1HE PHE 98 -3.087 -2.248 2.809 805 HE2 PHE 98 2HE PHE 98 -2.012 -1.107 6.809 806 HZ PHE 98 HZ PHE 98 -2.052 -2.798 4.996 807 H ALA 99 H ALA 99 -7.467 0.366 5.293 808 HA ALA 99 HA ALA 99 -7.670 1.225 7.983 809 1HB ALA 99 1HB ALA 99 -9.082 -0.496 6.538 810 2HB ALA 99 2HB ALA 99 -9.031 -0.632 8.296 811 3HB ALA 99 3HB ALA 99 -8.015 -1.667 7.302 812 H GLY 100 H GLY 100 -6.332 -1.986 7.225 813 1HA GLY 100 2HA GLY 100 -3.749 -1.419 8.416 814 2HA GLY 100 1HA GLY 100 -4.805 -2.269 9.545 815 H VAL 101 H VAL 101 -2.887 -3.858 9.175 816 HA VAL 101 HA VAL 101 -2.983 -5.371 6.667 817 HB VAL 101 HB VAL 101 -0.864 -5.107 7.921 818 1HG1 VAL 101 1HG1 VAL 101 -2.112 -6.920 10.000 819 2HG1 VAL 101 2HG1 VAL 101 -2.026 -5.168 10.184 820 3HG1 VAL 101 3HG1 VAL 101 -0.544 -6.117 10.075 821 1HG2 VAL 101 1HG2 VAL 101 -1.716 -8.007 8.036 822 2HG2 VAL 101 2HG2 VAL 101 -0.121 -7.356 7.659 823 3HG2 VAL 101 3HG2 VAL 101 -1.442 -7.175 6.505 824 H GLY 102 H GLY 102 -3.549 -7.676 6.610 825 1HA GLY 102 2HA GLY 102 -5.067 -9.423 7.015 826 2HA GLY 102 1HA GLY 102 -4.783 -9.098 8.726 827 H SER 103 H SER 103 -7.247 -9.786 8.496 828 HA SER 103 HA SER 103 -9.095 -7.800 7.523 829 1HB SER 103 2HB SER 103 -10.796 -9.134 8.520 830 2HB SER 103 1HB SER 103 -9.558 -10.282 8.018 831 HG SER 103 HG SER 103 -8.751 -9.729 10.316 832 H CYS 104 H CYS 104 -10.151 -6.142 8.661 833 HA CYS 104 HA CYS 104 -8.747 -5.187 11.046 834 1HB CYS 104 2HB CYS 104 -10.816 -4.088 9.192 835 2HB CYS 104 1HB CYS 104 -10.694 -3.384 10.804 836 HA PRO 105 HA PRO 105 -11.560 -6.861 14.021 837 1HB PRO 105 2HB PRO 105 -11.519 -4.918 15.959 838 2HB PRO 105 1HB PRO 105 -10.176 -6.043 15.677 839 1HG PRO 105 2HG PRO 105 -10.490 -3.215 14.790 840 2HG PRO 105 1HG PRO 105 -9.054 -4.052 15.406 841 1HD PRO 105 2HD PRO 105 -9.450 -3.587 12.744 842 2HD PRO 105 1HD PRO 105 -8.554 -4.999 13.348 Start of MODEL 17 1 HN PCA 1 H PCA 1 -6.452 9.291 0.853 2 HA PCA 1 HA PCA 1 -7.835 11.421 1.423 3 1HB PCA 1 1HB PCA 1 -6.393 12.889 2.400 4 2HB PCA 1 2HB PCA 1 -5.924 13.324 0.773 5 1HG PCA 1 1HG PCA 1 -4.370 12.171 2.604 6 2HG PCA 1 2HG PCA 1 -4.139 12.075 0.844 7 H ASP 2 H ASP 2 -6.102 10.002 -1.037 8 HA ASP 2 HA ASP 2 -7.923 10.992 -3.035 9 1HB ASP 2 2HB ASP 2 -6.252 12.939 -2.677 10 2HB ASP 2 1HB ASP 2 -5.072 11.895 -3.469 11 H TRP 3 H TRP 3 -8.070 9.337 -4.475 12 HA TRP 3 HA TRP 3 -6.603 6.975 -4.309 13 1HB TRP 3 2HB TRP 3 -8.579 6.853 -5.572 14 2HB TRP 3 1HB TRP 3 -8.144 8.243 -6.560 15 HD1 TRP 3 HD TRP 3 -7.847 7.404 -8.918 16 HE1 TRP 3 1HE TRP 3 -6.591 5.465 -10.055 17 HE3 TRP 3 3HE TRP 3 -6.133 4.900 -4.793 18 HZ2 TRP 3 2HZ TRP 3 -5.069 3.164 -9.322 19 HZ3 TRP 3 3HZ TRP 3 -4.786 2.843 -5.051 20 HH2 TRP 3 HH TRP 3 -4.252 1.970 -7.308 21 H GLU 4 H GLU 4 -5.734 9.953 -5.936 22 HA GLU 4 HA GLU 4 -3.674 8.904 -7.624 23 1HB GLU 4 2HB GLU 4 -3.817 11.626 -6.284 24 2HB GLU 4 1HB GLU 4 -2.816 11.208 -7.676 25 1HG GLU 4 2HG GLU 4 -5.835 10.953 -7.649 26 2HG GLU 4 1HG GLU 4 -4.979 12.363 -8.273 27 H THR 5 H THR 5 -2.884 10.972 -4.832 28 HA THR 5 HA THR 5 -0.314 9.935 -4.429 29 HB THR 5 HB THR 5 -1.277 11.942 -3.279 30 HG1 THR 5 1HG THR 5 0.032 9.895 -1.862 31 1HG2 THR 5 1HG2 THR 5 -3.381 10.594 -2.594 32 2HG2 THR 5 2HG2 THR 5 -2.721 11.740 -1.428 33 3HG2 THR 5 3HG2 THR 5 -2.393 10.016 -1.252 34 H PHE 6 H PHE 6 -3.357 8.849 -2.897 35 HA PHE 6 HA PHE 6 -2.309 6.799 -1.286 36 1HB PHE 6 2HB PHE 6 -4.760 7.564 -1.537 37 2HB PHE 6 1HB PHE 6 -4.837 6.464 -2.911 38 HD1 PHE 6 1HD PHE 6 -5.095 4.130 -2.597 39 HD2 PHE 6 2HD PHE 6 -4.066 6.635 0.737 40 HE1 PHE 6 1HE PHE 6 -5.452 2.222 -1.056 41 HE2 PHE 6 2HE PHE 6 -4.422 4.725 2.278 42 HZ PHE 6 HZ PHE 6 -5.117 2.520 1.381 43 H GLN 7 H GLN 7 -2.560 7.032 -4.740 44 HA GLN 7 HA GLN 7 -1.987 4.156 -5.123 45 1HB GLN 7 2HB GLN 7 -3.526 5.229 -6.701 46 2HB GLN 7 1HB GLN 7 -2.301 6.423 -7.119 47 1HG GLN 7 2HG GLN 7 -1.692 3.493 -7.412 48 2HG GLN 7 1HG GLN 7 -2.620 4.328 -8.657 49 1HE2 GLN 7 1HE2 GLN 7 -1.370 6.847 -8.703 50 2HE2 GLN 7 2HE2 GLN 7 0.251 6.668 -9.176 51 H LYS 8 H LYS 8 -0.328 7.165 -4.805 52 HA LYS 8 HA LYS 8 2.074 6.215 -6.232 53 1HB LYS 8 2HB LYS 8 1.685 8.736 -4.601 54 2HB LYS 8 1HB LYS 8 2.977 8.414 -5.757 55 1HG LYS 8 2HG LYS 8 0.141 8.189 -6.714 56 2HG LYS 8 1HG LYS 8 0.812 9.800 -6.470 57 1HD LYS 8 2HD LYS 8 2.724 9.219 -7.934 58 2HD LYS 8 1HD LYS 8 2.024 7.621 -8.198 59 1HE LYS 8 2HE LYS 8 1.473 9.179 -10.048 60 2HE LYS 8 1HE LYS 8 0.027 8.636 -9.198 61 1HZ LYS 8 1HZ LYS 8 0.722 11.222 -9.655 62 2HZ LYS 8 2HZ LYS 8 1.187 10.984 -8.037 63 3HZ LYS 8 3HZ LYS 8 -0.417 10.690 -8.516 64 H LYS 9 H LYS 9 1.319 7.202 -2.848 65 HA LYS 9 HA LYS 9 3.919 6.173 -1.974 66 1HB LYS 9 2HB LYS 9 2.788 6.713 0.356 67 2HB LYS 9 1HB LYS 9 3.343 8.013 -0.697 68 1HG LYS 9 2HG LYS 9 1.168 8.532 -1.420 69 2HG LYS 9 1HG LYS 9 0.528 6.965 -0.929 70 1HD LYS 9 2HD LYS 9 0.783 7.544 1.423 71 2HD LYS 9 1HD LYS 9 1.563 9.067 0.995 72 1HE LYS 9 2HE LYS 9 -0.430 9.998 0.158 73 2HE LYS 9 1HE LYS 9 -1.199 8.421 -0.023 74 1HZ LYS 9 1HZ LYS 9 -1.620 10.059 2.041 75 2HZ LYS 9 2HZ LYS 9 -0.371 9.093 2.669 76 3HZ LYS 9 3HZ LYS 9 -1.810 8.376 2.119 77 H HIS 10 H HIS 10 0.520 5.263 -1.185 78 HA HIS 10 HA HIS 10 1.345 2.933 0.304 79 1HB HIS 10 2HB HIS 10 -1.305 3.715 -0.916 80 2HB HIS 10 1HB HIS 10 -1.078 2.251 0.037 81 HD1 HIS 10 1HD HIS 10 -0.737 2.507 2.574 82 HD2 HIS 10 2HD HIS 10 -1.072 6.160 0.587 83 HE1 HIS 10 1HE HIS 10 -0.999 4.279 4.368 84 HE2 HIS 10 2HE HIS 10 -1.204 6.505 3.169 85 H LEU 11 H LEU 11 0.823 3.441 -3.136 86 HA LEU 11 HA LEU 11 1.075 0.470 -3.497 87 1HB LEU 11 2HB LEU 11 -0.369 2.595 -5.018 88 2HB LEU 11 1HB LEU 11 0.291 1.241 -5.932 89 HG LEU 11 HG LEU 11 -0.911 -0.345 -4.516 90 1HD1 LEU 11 1HD1 LEU 11 -2.646 0.725 -2.908 91 2HD1 LEU 11 2HD1 LEU 11 -1.632 2.166 -3.006 92 3HD1 LEU 11 3HD1 LEU 11 -0.967 0.659 -2.383 93 1HD2 LEU 11 1HD2 LEU 11 -3.278 0.437 -5.051 94 2HD2 LEU 11 2HD2 LEU 11 -2.162 0.402 -6.416 95 3HD2 LEU 11 3HD2 LEU 11 -2.555 1.935 -5.637 96 H THR 12 H THR 12 2.628 -0.335 -4.912 97 HA THR 12 HA THR 12 4.549 1.671 -6.043 98 HB THR 12 HB THR 12 5.702 0.768 -4.163 99 HG1 THR 12 1HG THR 12 6.810 -1.063 -5.788 100 1HG2 THR 12 1HG2 THR 12 4.994 -1.170 -3.260 101 2HG2 THR 12 2HG2 THR 12 5.784 -2.025 -4.581 102 3HG2 THR 12 3HG2 THR 12 4.087 -1.570 -4.717 103 H ASP 13 H ASP 13 6.196 -0.078 -7.422 104 HA ASP 13 HA ASP 13 4.274 -1.407 -9.301 105 1HB ASP 13 2HB ASP 13 5.381 0.698 -10.148 106 2HB ASP 13 1HB ASP 13 6.925 -0.148 -10.035 107 H THR 14 H THR 14 6.337 -2.318 -6.989 108 HA THR 14 HA THR 14 7.077 -4.759 -8.499 109 HB THR 14 HB THR 14 9.011 -3.230 -8.771 110 HG1 THR 14 1HG THR 14 10.442 -4.744 -7.363 111 1HG2 THR 14 1HG2 THR 14 10.269 -2.479 -6.849 112 2HG2 THR 14 2HG2 THR 14 9.222 -3.383 -5.754 113 3HG2 THR 14 3HG2 THR 14 8.590 -1.987 -6.627 114 H LYS 15 H LYS 15 7.585 -6.549 -7.109 115 HA LYS 15 HA LYS 15 6.183 -6.463 -4.559 116 1HB LYS 15 2HB LYS 15 6.881 -8.842 -4.389 117 2HB LYS 15 1HB LYS 15 6.137 -8.491 -5.949 118 1HG LYS 15 2HG LYS 15 8.534 -8.062 -6.796 119 2HG LYS 15 1HG LYS 15 9.066 -8.862 -5.317 120 1HD LYS 15 2HD LYS 15 7.290 -10.035 -7.475 121 2HD LYS 15 1HD LYS 15 8.936 -10.528 -7.076 122 1HE LYS 15 2HE LYS 15 6.429 -10.886 -5.429 123 2HE LYS 15 1HE LYS 15 7.551 -12.124 -5.994 124 1HZ LYS 15 1HZ LYS 15 7.730 -10.377 -3.696 125 2HZ LYS 15 2HZ LYS 15 9.173 -10.534 -4.582 126 3HZ LYS 15 3HZ LYS 15 8.406 -11.913 -3.949 127 H LYS 16 H LYS 16 9.360 -5.800 -5.590 128 HA LYS 16 HA LYS 16 10.333 -5.911 -2.758 129 1HB LYS 16 2HB LYS 16 12.638 -6.206 -3.836 130 2HB LYS 16 1HB LYS 16 11.563 -7.602 -3.913 131 1HG LYS 16 2HG LYS 16 10.842 -6.816 -6.205 132 2HG LYS 16 1HG LYS 16 12.112 -5.597 -6.120 133 1HD LYS 16 2HD LYS 16 12.692 -8.533 -5.702 134 2HD LYS 16 1HD LYS 16 12.696 -7.803 -7.307 135 1HE LYS 16 2HE LYS 16 14.339 -6.088 -6.412 136 2HE LYS 16 1HE LYS 16 14.458 -7.075 -4.954 137 1HZ LYS 16 1HZ LYS 16 15.474 -8.774 -6.071 138 2HZ LYS 16 2HZ LYS 16 16.092 -7.440 -6.923 139 3HZ LYS 16 3HZ LYS 16 14.813 -8.349 -7.574 140 H VAL 17 H VAL 17 9.253 -3.645 -3.064 141 HA VAL 17 HA VAL 17 10.307 -1.618 -4.686 142 HB VAL 17 HB VAL 17 9.604 -0.029 -2.937 143 1HG1 VAL 17 1HG1 VAL 17 7.592 -2.261 -2.991 144 2HG1 VAL 17 2HG1 VAL 17 7.992 -1.363 -4.453 145 3HG1 VAL 17 3HG1 VAL 17 7.313 -0.523 -3.059 146 1HG2 VAL 17 1HG2 VAL 17 8.523 -1.202 -0.868 147 2HG2 VAL 17 2HG2 VAL 17 10.271 -0.982 -0.894 148 3HG2 VAL 17 3HG2 VAL 17 9.575 -2.554 -1.288 149 H LYS 18 H LYS 18 11.678 0.219 -3.928 150 HA LYS 18 HA LYS 18 14.132 -0.863 -2.648 151 1HB LYS 18 2HB LYS 18 14.894 1.587 -3.553 152 2HB LYS 18 1HB LYS 18 14.956 0.138 -4.552 153 1HG LYS 18 2HG LYS 18 13.834 1.938 -5.770 154 2HG LYS 18 1HG LYS 18 12.682 0.653 -5.416 155 1HD LYS 18 2HD LYS 18 11.670 1.901 -3.660 156 2HD LYS 18 1HD LYS 18 13.016 3.037 -3.593 157 1HE LYS 18 2HE LYS 18 11.116 2.728 -5.933 158 2HE LYS 18 1HE LYS 18 11.054 4.023 -4.738 159 1HZ LYS 18 1HZ LYS 18 13.459 4.444 -5.393 160 2HZ LYS 18 2HZ LYS 18 12.260 4.907 -6.504 161 3HZ LYS 18 3HZ LYS 18 13.146 3.479 -6.752 162 H CYS 19 H CYS 19 12.536 -0.645 -0.712 163 HA CYS 19 HA CYS 19 11.535 1.491 0.546 164 1HB CYS 19 2HB CYS 19 13.404 -0.584 1.686 165 2HB CYS 19 1HB CYS 19 12.627 0.623 2.712 166 H ASP 20 H ASP 20 15.000 1.048 0.012 167 HA ASP 20 HA ASP 20 16.099 2.981 1.692 168 1HB ASP 20 2HB ASP 20 17.514 1.602 0.280 169 2HB ASP 20 1HB ASP 20 16.839 2.332 -1.177 170 H VAL 21 H VAL 21 14.557 3.486 -1.477 171 HA VAL 21 HA VAL 21 14.705 6.430 -1.003 172 HB VAL 21 HB VAL 21 13.742 5.157 -3.550 173 1HG1 VAL 21 1HG1 VAL 21 15.252 7.704 -2.897 174 2HG1 VAL 21 2HG1 VAL 21 13.532 7.592 -3.271 175 3HG1 VAL 21 3HG1 VAL 21 14.730 7.215 -4.509 176 1HG2 VAL 21 1HG2 VAL 21 15.818 4.005 -3.156 177 2HG2 VAL 21 2HG2 VAL 21 16.604 5.489 -2.618 178 3HG2 VAL 21 3HG2 VAL 21 16.160 5.291 -4.314 179 H GLU 22 H GLU 22 12.496 3.721 -1.328 180 HA GLU 22 HA GLU 22 10.082 5.187 -1.741 181 1HB GLU 22 2HB GLU 22 10.736 2.508 -1.403 182 2HB GLU 22 1HB GLU 22 9.806 2.867 0.050 183 1HG GLU 22 2HG GLU 22 8.227 2.166 -1.616 184 2HG GLU 22 1HG GLU 22 8.054 3.915 -1.462 185 H MET 23 H MET 23 12.267 5.259 0.788 186 HA MET 23 HA MET 23 10.233 6.488 2.611 187 1HB MET 23 2HB MET 23 12.646 4.860 3.461 188 2HB MET 23 1HB MET 23 11.430 5.569 4.523 189 1HG MET 23 2HG MET 23 9.695 4.153 3.487 190 2HG MET 23 1HG MET 23 10.910 3.445 2.422 191 1HE MET 23 1HE MET 23 9.875 4.367 5.796 192 2HE MET 23 2HE MET 23 11.484 4.221 6.495 193 3HE MET 23 3HE MET 23 10.256 3.016 6.871 194 H ALA 24 H ALA 24 13.621 6.381 1.536 195 HA ALA 24 HA ALA 24 14.285 8.806 3.037 196 1HB ALA 24 1HB ALA 24 15.918 7.592 0.807 197 2HB ALA 24 2HB ALA 24 15.894 6.894 2.426 198 3HB ALA 24 3HB ALA 24 16.483 8.538 2.184 199 H LYS 25 H LYS 25 12.452 8.343 0.346 200 HA LYS 25 HA LYS 25 13.490 10.247 -1.500 201 1HB LYS 25 2HB LYS 25 10.978 10.457 -2.184 202 2HB LYS 25 1HB LYS 25 11.804 8.924 -2.411 203 1HG LYS 25 2HG LYS 25 10.891 8.438 0.042 204 2HG LYS 25 1HG LYS 25 9.711 9.669 -0.397 205 1HD LYS 25 2HD LYS 25 10.294 7.391 -2.284 206 2HD LYS 25 1HD LYS 25 9.186 7.162 -0.938 207 1HE LYS 25 2HE LYS 25 7.576 8.489 -1.871 208 2HE LYS 25 1HE LYS 25 8.748 9.624 -2.538 209 1HZ LYS 25 1HZ LYS 25 9.126 8.282 -4.371 210 2HZ LYS 25 2HZ LYS 25 7.448 8.139 -4.141 211 3HZ LYS 25 3HZ LYS 25 8.488 6.896 -3.630 212 H ALA 26 H ALA 26 10.623 11.708 -1.236 213 HA ALA 26 HA ALA 26 11.665 13.748 0.699 214 1HB ALA 26 1HB ALA 26 10.392 15.401 -0.741 215 2HB ALA 26 2HB ALA 26 10.181 14.098 -1.912 216 3HB ALA 26 3HB ALA 26 11.801 14.667 -1.508 217 H LEU 27 H LEU 27 8.761 12.079 -0.495 218 HA LEU 27 HA LEU 27 7.021 13.621 1.277 219 1HB LEU 27 2HB LEU 27 5.242 12.491 0.306 220 2HB LEU 27 1HB LEU 27 6.445 12.390 -0.974 221 HG LEU 27 HG LEU 27 7.129 10.141 0.191 222 1HD1 LEU 27 1HD1 LEU 27 5.888 9.659 2.029 223 2HD1 LEU 27 2HD1 LEU 27 4.572 9.306 0.916 224 3HD1 LEU 27 3HD1 LEU 27 4.694 10.899 1.656 225 1HD2 LEU 27 1HD2 LEU 27 5.431 8.955 -1.194 226 2HD2 LEU 27 2HD2 LEU 27 6.173 10.302 -2.059 227 3HD2 LEU 27 3HD2 LEU 27 4.555 10.474 -1.381 228 H PHE 28 H PHE 28 9.225 11.206 1.883 229 HA PHE 28 HA PHE 28 7.658 10.212 4.239 230 1HB PHE 28 2HB PHE 28 9.764 8.936 2.511 231 2HB PHE 28 1HB PHE 28 9.532 8.382 4.167 232 HD1 PHE 28 1HD PHE 28 7.161 7.705 4.895 233 HD2 PHE 28 2HD PHE 28 8.306 8.240 0.795 234 HE1 PHE 28 1HE PHE 28 5.192 6.381 4.174 235 HE2 PHE 28 2HE PHE 28 6.339 6.916 0.069 236 HZ PHE 28 HZ PHE 28 4.781 5.986 1.759 237 H ASP 29 H ASP 29 11.058 10.838 3.278 238 HA ASP 29 HA ASP 29 12.638 12.202 4.406 239 1HB ASP 29 2HB ASP 29 10.468 13.220 5.537 240 2HB ASP 29 1HB ASP 29 11.003 12.264 6.921 241 H CYS 30 H CYS 30 12.776 9.431 4.285 242 HA CYS 30 HA CYS 30 13.788 7.582 5.311 243 1HB CYS 30 2HB CYS 30 15.116 9.975 6.549 244 2HB CYS 30 1HB CYS 30 15.535 8.359 7.116 245 H LYS 31 H LYS 31 11.435 7.320 6.298 246 HA LYS 31 HA LYS 31 11.179 7.904 9.140 247 1HB LYS 31 2HB LYS 31 9.617 5.853 7.551 248 2HB LYS 31 1HB LYS 31 9.118 6.654 9.034 249 1HG LYS 31 2HG LYS 31 9.579 8.007 6.363 250 2HG LYS 31 1HG LYS 31 8.007 7.646 7.065 251 1HD LYS 31 2HD LYS 31 10.091 9.569 8.134 252 2HD LYS 31 1HD LYS 31 8.494 9.965 7.509 253 1HE LYS 31 2HE LYS 31 7.636 8.372 9.406 254 2HE LYS 31 1HE LYS 31 9.222 8.667 10.121 255 1HZ LYS 31 1HZ LYS 31 8.308 10.507 10.935 256 2HZ LYS 31 2HZ LYS 31 6.957 10.412 9.909 257 3HZ LYS 31 3HZ LYS 31 8.395 11.136 9.362 258 H LYS 32 H LYS 32 10.048 5.004 9.393 259 HA LYS 32 HA LYS 32 12.608 3.513 9.660 260 1HB LYS 32 2HB LYS 32 12.090 2.887 11.979 261 2HB LYS 32 1HB LYS 32 12.236 4.638 11.838 262 1HG LYS 32 2HG LYS 32 9.741 4.769 11.600 263 2HG LYS 32 1HG LYS 32 9.663 3.036 11.926 264 1HD LYS 32 2HD LYS 32 10.870 5.105 13.788 265 2HD LYS 32 1HD LYS 32 9.277 4.374 13.981 266 1HE LYS 32 2HE LYS 32 10.599 2.107 13.855 267 2HE LYS 32 1HE LYS 32 11.987 3.107 14.287 268 1HZ LYS 32 1HZ LYS 32 10.459 3.995 16.118 269 2HZ LYS 32 2HZ LYS 32 11.131 2.447 16.318 270 3HZ LYS 32 3HZ LYS 32 9.516 2.617 15.822 271 H THR 33 H THR 33 9.082 3.547 9.652 272 HA THR 33 HA THR 33 9.135 0.683 8.792 273 HB THR 33 HB THR 33 8.334 0.789 11.126 274 HG1 THR 33 1HG THR 33 7.295 -0.750 10.009 275 1HG2 THR 33 1HG2 THR 33 7.526 3.197 10.865 276 2HG2 THR 33 2HG2 THR 33 6.465 2.122 11.775 277 3HG2 THR 33 3HG2 THR 33 6.084 2.527 10.102 278 H ASN 34 H ASN 34 7.836 0.276 7.001 279 HA ASN 34 HA ASN 34 5.788 2.258 6.230 280 1HB ASN 34 2HB ASN 34 8.135 2.930 5.317 281 2HB ASN 34 1HB ASN 34 7.908 1.588 4.198 282 1HD2 ASN 34 1HD2 ASN 34 7.928 4.527 3.582 283 2HD2 ASN 34 2HD2 ASN 34 6.428 4.848 2.857 284 H THR 35 H THR 35 4.349 1.452 4.610 285 HA THR 35 HA THR 35 4.719 -1.392 3.801 286 HB THR 35 HB THR 35 2.195 -0.269 5.053 287 HG1 THR 35 1HG THR 35 4.204 -2.031 5.978 288 1HG2 THR 35 1HG2 THR 35 1.670 -1.927 3.370 289 2HG2 THR 35 2HG2 THR 35 1.485 -2.676 4.956 290 3HG2 THR 35 3HG2 THR 35 2.920 -3.009 3.986 291 H PHE 36 H PHE 36 3.464 -1.956 1.900 292 HA PHE 36 HA PHE 36 1.964 0.218 0.562 293 1HB PHE 36 2HB PHE 36 4.049 -1.071 -1.149 294 2HB PHE 36 1HB PHE 36 3.346 0.537 -1.262 295 HD1 PHE 36 1HD PHE 36 4.110 2.344 0.290 296 HD2 PHE 36 2HD PHE 36 6.029 -1.486 0.121 297 HE1 PHE 36 1HE PHE 36 6.111 3.295 1.400 298 HE2 PHE 36 2HE PHE 36 8.019 -0.546 1.241 299 HZ PHE 36 HZ PHE 36 8.069 1.844 1.868 300 H ILE 37 H ILE 37 1.248 -0.753 -1.739 301 HA ILE 37 HA ILE 37 0.630 -3.657 -1.353 302 HB ILE 37 HB ILE 37 -1.189 -1.575 -2.583 303 1HG1 ILE 37 2HG1 ILE 37 -1.889 -2.911 -0.006 304 2HG1 ILE 37 1HG1 ILE 37 -0.637 -1.679 0.080 305 1HG2 ILE 37 1HG2 ILE 37 -2.876 -3.413 -2.323 306 2HG2 ILE 37 2HG2 ILE 37 -1.565 -4.484 -1.828 307 3HG2 ILE 37 3HG2 ILE 37 -1.580 -3.802 -3.455 308 1HD1 ILE 37 1HD1 ILE 37 -3.121 -1.032 -1.454 309 2HD1 ILE 37 2HD1 ILE 37 -2.073 0.027 -0.511 310 3HD1 ILE 37 3HD1 ILE 37 -3.206 -1.043 0.307 311 H TYR 38 H TYR 38 1.046 -4.947 -3.101 312 HA TYR 38 HA TYR 38 2.051 -3.578 -5.565 313 1HB TYR 38 2HB TYR 38 3.609 -5.182 -4.584 314 2HB TYR 38 1HB TYR 38 2.372 -6.435 -4.595 315 HD1 TYR 38 1HD TYR 38 4.167 -4.075 -6.880 316 HD2 TYR 38 2HD TYR 38 2.160 -7.848 -6.452 317 HE1 TYR 38 1HE TYR 38 4.791 -4.671 -9.206 318 HE2 TYR 38 2HE TYR 38 2.783 -8.443 -8.778 319 HH TYR 38 HH TYR 38 4.103 -6.136 -10.974 320 H ALA 39 H ALA 39 0.205 -3.193 -6.792 321 HA ALA 39 HA ALA 39 -1.088 -5.546 -7.963 322 1HB ALA 39 1HB ALA 39 -2.370 -5.120 -5.834 323 2HB ALA 39 2HB ALA 39 -3.349 -4.998 -7.296 324 3HB ALA 39 3HB ALA 39 -2.801 -3.535 -6.477 325 H LEU 40 H LEU 40 -2.403 -4.954 -9.831 326 HA LEU 40 HA LEU 40 -1.381 -2.570 -11.159 327 1HB LEU 40 2HB LEU 40 -2.123 -3.548 -13.107 328 2HB LEU 40 1HB LEU 40 -2.048 -4.981 -12.090 329 HG LEU 40 HG LEU 40 -4.558 -4.212 -11.500 330 1HD1 LEU 40 1HD1 LEU 40 -5.655 -3.175 -13.328 331 2HD1 LEU 40 2HD1 LEU 40 -4.279 -3.417 -14.400 332 3HD1 LEU 40 3HD1 LEU 40 -4.190 -2.228 -13.105 333 1HD2 LEU 40 1HD2 LEU 40 -3.729 -5.698 -14.014 334 2HD2 LEU 40 2HD2 LEU 40 -5.313 -5.794 -13.246 335 3HD2 LEU 40 3HD2 LEU 40 -3.888 -6.405 -12.406 336 HA PRO 41 HA PRO 41 -4.437 0.350 -9.978 337 1HB PRO 41 2HB PRO 41 -4.934 1.590 -12.443 338 2HB PRO 41 1HB PRO 41 -3.621 1.997 -11.324 339 1HG PRO 41 2HG PRO 41 -3.566 0.318 -13.774 340 2HG PRO 41 1HG PRO 41 -2.336 1.416 -13.126 341 1HD PRO 41 2HD PRO 41 -2.104 -1.266 -12.889 342 2HD PRO 41 1HD PRO 41 -1.520 -0.165 -11.621 343 H GLY 42 H GLY 42 -5.382 -0.940 -13.207 344 1HA GLY 42 2HA GLY 42 -8.128 -0.530 -13.036 345 2HA GLY 42 1HA GLY 42 -7.430 -1.923 -13.856 346 H ARG 43 H ARG 43 -6.309 -3.282 -11.688 347 HA ARG 43 HA ARG 43 -8.599 -4.621 -10.599 348 1HB ARG 43 2HB ARG 43 -6.328 -5.656 -10.991 349 2HB ARG 43 1HB ARG 43 -5.754 -4.770 -9.578 350 1HG ARG 43 2HG ARG 43 -7.284 -5.914 -8.128 351 2HG ARG 43 1HG ARG 43 -8.147 -6.621 -9.496 352 1HD ARG 43 2HD ARG 43 -6.362 -8.059 -8.197 353 2HD ARG 43 1HD ARG 43 -6.446 -8.148 -9.956 354 HE ARG 43 HE ARG 43 -4.616 -6.080 -9.043 355 1HH1 ARG 43 1HH2 ARG 43 -5.085 -9.440 -9.657 356 2HH1 ARG 43 2HH2 ARG 43 -3.407 -9.757 -9.950 357 1HH2 ARG 43 1HH1 ARG 43 -2.422 -6.474 -9.420 358 2HH2 ARG 43 2HH1 ARG 43 -1.899 -8.078 -9.815 359 H VAL 44 H VAL 44 -6.480 -2.070 -9.388 360 HA VAL 44 HA VAL 44 -7.443 -2.232 -6.653 361 HB VAL 44 HB VAL 44 -5.988 -0.045 -8.167 362 1HG1 VAL 44 1HG1 VAL 44 -6.882 -0.255 -5.288 363 2HG1 VAL 44 2HG1 VAL 44 -7.102 1.091 -6.408 364 3HG1 VAL 44 3HG1 VAL 44 -5.502 0.739 -5.756 365 1HG2 VAL 44 1HG2 VAL 44 -4.867 -2.303 -7.665 366 2HG2 VAL 44 2HG2 VAL 44 -4.971 -1.853 -5.964 367 3HG2 VAL 44 3HG2 VAL 44 -4.030 -0.865 -7.081 368 H LYS 45 H LYS 45 -7.978 0.212 -9.223 369 HA LYS 45 HA LYS 45 -10.116 1.521 -7.830 370 1HB LYS 45 2HB LYS 45 -10.586 2.626 -9.940 371 2HB LYS 45 1HB LYS 45 -8.836 2.498 -9.763 372 1HG LYS 45 2HG LYS 45 -9.022 0.309 -11.089 373 2HG LYS 45 1HG LYS 45 -10.658 0.824 -11.495 374 1HD LYS 45 2HD LYS 45 -8.088 2.313 -12.100 375 2HD LYS 45 1HD LYS 45 -9.168 1.552 -13.268 376 1HE LYS 45 2HE LYS 45 -10.994 3.110 -12.318 377 2HE LYS 45 1HE LYS 45 -9.665 4.009 -11.585 378 1HZ LYS 45 1HZ LYS 45 -10.093 3.467 -14.470 379 2HZ LYS 45 2HZ LYS 45 -8.660 4.129 -13.839 380 3HZ LYS 45 3HZ LYS 45 -10.127 4.973 -13.689 381 H ALA 46 H ALA 46 -9.933 -1.418 -9.609 382 HA ALA 46 HA ALA 46 -12.709 -1.611 -10.387 383 1HB ALA 46 1HB ALA 46 -12.077 -4.136 -10.445 384 2HB ALA 46 2HB ALA 46 -10.447 -3.578 -10.083 385 3HB ALA 46 3HB ALA 46 -11.250 -3.050 -11.561 386 H LEU 47 H LEU 47 -10.843 -2.887 -7.617 387 HA LEU 47 HA LEU 47 -13.024 -4.244 -6.373 388 1HB LEU 47 2HB LEU 47 -10.336 -3.278 -5.549 389 2HB LEU 47 1HB LEU 47 -11.492 -3.499 -4.237 390 HG LEU 47 HG LEU 47 -11.948 -5.814 -5.136 391 1HD1 LEU 47 1HD1 LEU 47 -10.989 -5.184 -7.441 392 2HD1 LEU 47 2HD1 LEU 47 -10.537 -6.762 -6.797 393 3HD1 LEU 47 3HD1 LEU 47 -9.400 -5.417 -6.711 394 1HD2 LEU 47 1HD2 LEU 47 -9.092 -5.162 -4.345 395 2HD2 LEU 47 2HD2 LEU 47 -9.831 -6.761 -4.254 396 3HD2 LEU 47 3HD2 LEU 47 -10.431 -5.452 -3.234 397 H CYS 48 H CYS 48 -12.293 -0.875 -6.658 398 HA CYS 48 HA CYS 48 -14.049 -0.149 -4.391 399 1HB CYS 48 2HB CYS 48 -12.146 1.299 -6.178 400 2HB CYS 48 1HB CYS 48 -13.485 2.229 -5.508 401 H LYS 49 H LYS 49 -14.230 -0.631 -7.802 402 HA LYS 49 HA LYS 49 -16.429 1.131 -8.365 403 1HB LYS 49 2HB LYS 49 -15.506 0.450 -10.353 404 2HB LYS 49 1HB LYS 49 -15.027 -1.116 -9.706 405 1HG LYS 49 2HG LYS 49 -17.211 -2.019 -9.994 406 2HG LYS 49 1HG LYS 49 -17.914 -0.426 -10.266 407 1HD LYS 49 2HD LYS 49 -17.739 -1.401 -12.429 408 2HD LYS 49 1HD LYS 49 -16.390 -0.272 -12.326 409 1HE LYS 49 2HE LYS 49 -15.724 -2.493 -13.258 410 2HE LYS 49 1HE LYS 49 -14.856 -2.088 -11.779 411 1HZ LYS 49 1HZ LYS 49 -16.027 -3.615 -10.563 412 2HZ LYS 49 2HZ LYS 49 -15.952 -4.411 -12.062 413 3HZ LYS 49 3HZ LYS 49 -17.370 -3.597 -11.599 414 H ASN 50 H ASN 50 -18.666 0.637 -8.444 415 HA ASN 50 HA ASN 50 -20.649 -0.518 -7.930 416 1HB ASN 50 2HB ASN 50 -19.101 -2.553 -8.689 417 2HB ASN 50 1HB ASN 50 -19.157 -2.933 -6.967 418 1HD2 ASN 50 1HD2 ASN 50 -20.772 -4.456 -6.612 419 2HD2 ASN 50 2HD2 ASN 50 -22.301 -4.447 -7.348 420 H ILE 51 H ILE 51 -18.134 0.204 -5.832 421 HA ILE 51 HA ILE 51 -19.463 -0.743 -3.386 422 HB ILE 51 HB ILE 51 -17.068 1.075 -3.774 423 1HG1 ILE 51 2HG1 ILE 51 -16.654 -1.180 -4.626 424 2HG1 ILE 51 1HG1 ILE 51 -15.782 -0.958 -3.111 425 1HG2 ILE 51 1HG2 ILE 51 -17.808 1.550 -1.606 426 2HG2 ILE 51 2HG2 ILE 51 -16.663 0.238 -1.337 427 3HG2 ILE 51 3HG2 ILE 51 -18.395 -0.092 -1.342 428 1HD1 ILE 51 1HD1 ILE 51 -16.767 -3.022 -2.729 429 2HD1 ILE 51 2HD1 ILE 51 -18.201 -2.633 -3.677 430 3HD1 ILE 51 3HD1 ILE 51 -18.004 -1.961 -2.059 431 H ARG 52 H ARG 52 -19.712 1.013 -1.605 432 HA ARG 52 HA ARG 52 -21.392 3.176 -2.771 433 1HB ARG 52 2HB ARG 52 -21.166 2.335 0.131 434 2HB ARG 52 1HB ARG 52 -22.427 3.328 -0.601 435 1HG ARG 52 2HG ARG 52 -21.870 0.432 -1.311 436 2HG ARG 52 1HG ARG 52 -23.173 0.981 -0.259 437 1HD ARG 52 2HD ARG 52 -23.841 2.501 -2.271 438 2HD ARG 52 1HD ARG 52 -22.840 1.405 -3.222 439 HE ARG 52 HE ARG 52 -24.576 -0.207 -1.686 440 1HH1 ARG 52 1HH2 ARG 52 -24.687 2.226 -4.127 441 2HH1 ARG 52 2HH2 ARG 52 -26.147 1.629 -4.842 442 1HH2 ARG 52 1HH1 ARG 52 -26.482 -1.000 -2.607 443 2HH2 ARG 52 2HH1 ARG 52 -27.164 -0.197 -3.982 444 H ASP 53 H ASP 53 -21.259 4.843 -0.419 445 HA ASP 53 HA ASP 53 -19.019 6.505 -1.093 446 1HB ASP 53 2HB ASP 53 -19.694 7.864 0.790 447 2HB ASP 53 1HB ASP 53 -21.150 7.294 -0.028 448 H ASN 54 H ASN 54 -18.300 7.148 1.649 449 HA ASN 54 HA ASN 54 -15.926 5.575 1.865 450 1HB ASN 54 2HB ASN 54 -15.761 6.655 4.161 451 2HB ASN 54 1HB ASN 54 -15.918 7.778 2.810 452 1HD2 ASN 54 1HD2 ASN 54 -17.813 6.179 5.400 453 2HD2 ASN 54 2HD2 ASN 54 -19.039 7.351 5.442 454 H THR 55 H THR 55 -15.877 3.480 2.425 455 HA THR 55 HA THR 55 -17.285 2.596 4.863 456 HB THR 55 HB THR 55 -17.607 0.765 2.530 457 HG1 THR 55 1HG THR 55 -18.716 2.142 1.438 458 1HG2 THR 55 1HG2 THR 55 -19.432 1.612 4.798 459 2HG2 THR 55 2HG2 THR 55 -18.390 0.190 4.804 460 3HG2 THR 55 3HG2 THR 55 -19.734 0.294 3.666 461 H ASP 56 H ASP 56 -16.466 0.425 5.541 462 HA ASP 56 HA ASP 56 -13.600 0.216 4.947 463 1HB ASP 56 2HB ASP 56 -15.288 -1.570 6.719 464 2HB ASP 56 1HB ASP 56 -13.534 -1.386 6.753 465 H VAL 57 H VAL 57 -12.841 -1.032 3.318 466 HA VAL 57 HA VAL 57 -14.566 -3.256 2.314 467 HB VAL 57 HB VAL 57 -13.620 -2.958 0.199 468 1HG1 VAL 57 1HG1 VAL 57 -14.893 -0.934 1.005 469 2HG1 VAL 57 2HG1 VAL 57 -13.728 -0.590 -0.274 470 3HG1 VAL 57 3HG1 VAL 57 -13.344 -0.188 1.399 471 1HG2 VAL 57 1HG2 VAL 57 -11.274 -1.814 1.714 472 2HG2 VAL 57 2HG2 VAL 57 -11.458 -1.515 -0.013 473 3HG2 VAL 57 3HG2 VAL 57 -11.299 -3.166 0.586 474 H LEU 58 H LEU 58 -13.320 -5.217 1.575 475 HA LEU 58 HA LEU 58 -10.796 -5.671 3.086 476 1HB LEU 58 2HB LEU 58 -13.190 -6.455 4.146 477 2HB LEU 58 1HB LEU 58 -12.789 -7.879 3.193 478 HG LEU 58 HG LEU 58 -11.923 -8.102 5.476 479 1HD1 LEU 58 1HD1 LEU 58 -10.646 -8.927 3.414 480 2HD1 LEU 58 2HD1 LEU 58 -9.730 -8.789 4.913 481 3HD1 LEU 58 3HD1 LEU 58 -9.570 -7.551 3.666 482 1HD2 LEU 58 1HD2 LEU 58 -10.835 -6.448 6.586 483 2HD2 LEU 58 2HD2 LEU 58 -11.474 -5.380 5.339 484 3HD2 LEU 58 3HD2 LEU 58 -9.844 -6.036 5.189 485 H SER 59 H SER 59 -9.337 -6.836 1.812 486 HA SER 59 HA SER 59 -9.939 -7.456 -0.881 487 1HB SER 59 2HB SER 59 -7.689 -7.650 -0.808 488 2HB SER 59 1HB SER 59 -7.706 -7.938 0.924 489 HG SER 59 HG SER 59 -7.278 -9.674 -1.010 490 H ARG 60 H ARG 60 -10.340 -9.510 -1.931 491 HA ARG 60 HA ARG 60 -12.197 -11.158 -0.375 492 1HB ARG 60 2HB ARG 60 -11.308 -11.392 -3.263 493 2HB ARG 60 1HB ARG 60 -12.658 -12.255 -2.526 494 1HG ARG 60 2HG ARG 60 -13.620 -9.976 -1.914 495 2HG ARG 60 1HG ARG 60 -12.390 -9.274 -2.967 496 1HD ARG 60 2HD ARG 60 -14.429 -11.348 -3.825 497 2HD ARG 60 1HD ARG 60 -14.545 -9.620 -4.158 498 HE ARG 60 HE ARG 60 -12.762 -11.517 -5.504 499 1HH1 ARG 60 1HH2 ARG 60 -13.452 -8.255 -4.625 500 2HH1 ARG 60 2HH2 ARG 60 -12.532 -7.571 -5.923 501 1HH2 ARG 60 1HH1 ARG 60 -11.556 -10.641 -7.203 502 2HH2 ARG 60 2HH1 ARG 60 -11.458 -8.922 -7.383 503 H ASP 61 H ASP 61 -8.908 -11.274 -0.556 504 HA ASP 61 HA ASP 61 -8.832 -14.000 0.400 505 1HB ASP 61 2HB ASP 61 -9.118 -14.507 -1.986 506 2HB ASP 61 1HB ASP 61 -7.735 -13.486 -2.380 507 H ALA 62 H ALA 62 -6.249 -12.772 -1.632 508 HA ALA 62 HA ALA 62 -4.846 -11.675 0.726 509 1HB ALA 62 1HB ALA 62 -3.541 -13.817 -0.958 510 2HB ALA 62 2HB ALA 62 -4.383 -14.179 0.549 511 3HB ALA 62 3HB ALA 62 -2.963 -13.133 0.561 512 H PHE 63 H PHE 63 -2.720 -10.694 0.062 513 HA PHE 63 HA PHE 63 -2.390 -10.082 -2.791 514 1HB PHE 63 2HB PHE 63 -3.399 -8.075 -0.782 515 2HB PHE 63 1HB PHE 63 -2.392 -7.543 -2.129 516 HD1 PHE 63 1HD PHE 63 -5.636 -8.980 -1.157 517 HD2 PHE 63 2HD PHE 63 -3.167 -7.738 -4.445 518 HE1 PHE 63 1HE PHE 63 -7.604 -9.060 -2.666 519 HE2 PHE 63 2HE PHE 63 -5.134 -7.816 -5.952 520 HZ PHE 63 HZ PHE 63 -7.352 -8.477 -5.063 521 H LEU 64 H LEU 64 -0.239 -9.676 -3.200 522 HA LEU 64 HA LEU 64 1.635 -9.939 -0.973 523 1HB LEU 64 2HB LEU 64 1.906 -10.889 -3.349 524 2HB LEU 64 1HB LEU 64 2.321 -9.249 -3.837 525 HG LEU 64 HG LEU 64 3.729 -10.586 -1.522 526 1HD1 LEU 64 1HD1 LEU 64 5.537 -11.097 -3.264 527 2HD1 LEU 64 2HD1 LEU 64 4.286 -10.846 -4.481 528 3HD1 LEU 64 3HD1 LEU 64 4.112 -12.135 -3.289 529 1HD2 LEU 64 1HD2 LEU 64 5.571 -9.013 -2.493 530 2HD2 LEU 64 2HD2 LEU 64 4.246 -8.283 -1.594 531 3HD2 LEU 64 3HD2 LEU 64 4.243 -8.240 -3.357 532 H LEU 65 H LEU 65 2.196 -8.182 0.245 533 HA LEU 65 HA LEU 65 2.359 -5.551 -1.164 534 1HB LEU 65 2HB LEU 65 2.129 -5.086 1.627 535 2HB LEU 65 1HB LEU 65 0.975 -4.682 0.372 536 HG LEU 65 HG LEU 65 1.054 -7.464 1.497 537 1HD1 LEU 65 1HD1 LEU 65 0.891 -5.984 3.427 538 2HD1 LEU 65 2HD1 LEU 65 -0.703 -6.667 3.103 539 3HD1 LEU 65 3HD1 LEU 65 -0.337 -5.011 2.616 540 1HD2 LEU 65 1HD2 LEU 65 -1.103 -5.691 0.285 541 2HD2 LEU 65 2HD2 LEU 65 -1.338 -7.355 0.817 542 3HD2 LEU 65 3HD2 LEU 65 -0.277 -7.007 -0.545 543 HA PRO 66 HA PRO 66 6.614 -5.914 0.263 544 1HB PRO 66 2HB PRO 66 7.516 -3.578 -0.848 545 2HB PRO 66 1HB PRO 66 7.296 -5.072 -1.775 546 1HG PRO 66 2HG PRO 66 5.600 -2.654 -1.672 547 2HG PRO 66 1HG PRO 66 5.896 -3.767 -3.010 548 1HD PRO 66 2HD PRO 66 3.605 -3.748 -1.441 549 2HD PRO 66 1HD PRO 66 4.158 -5.124 -2.418 550 H GLN 67 H GLN 67 7.725 -4.964 2.073 551 HA GLN 67 HA GLN 67 6.642 -2.403 3.100 552 1HB GLN 67 2HB GLN 67 6.441 -3.449 5.403 553 2HB GLN 67 1HB GLN 67 5.229 -3.975 4.234 554 1HG GLN 67 2HG GLN 67 6.290 -6.061 3.893 555 2HG GLN 67 1HG GLN 67 7.801 -5.507 4.617 556 1HE2 GLN 67 1HE2 GLN 67 4.331 -5.898 5.562 557 2HE2 GLN 67 2HE2 GLN 67 4.673 -6.434 7.136 558 H CYS 68 H CYS 68 8.036 -1.313 4.492 559 HA CYS 68 HA CYS 68 10.862 -2.259 4.394 560 1HB CYS 68 2HB CYS 68 9.905 0.449 5.325 561 2HB CYS 68 1HB CYS 68 11.490 0.008 4.689 562 H ASP 69 H ASP 69 11.989 -2.745 6.267 563 HA ASP 69 HA ASP 69 10.627 -2.186 8.879 564 1HB ASP 69 2HB ASP 69 10.342 -4.587 8.110 565 2HB ASP 69 1HB ASP 69 12.093 -4.756 8.239 566 H ARG 70 H ARG 70 12.019 -0.631 9.673 567 HA ARG 70 HA ARG 70 14.889 -0.731 9.243 568 1HB ARG 70 2HB ARG 70 13.511 1.363 9.678 569 2HB ARG 70 1HB ARG 70 13.415 0.852 11.362 570 1HG ARG 70 2HG ARG 70 16.005 0.675 11.228 571 2HG ARG 70 1HG ARG 70 15.846 1.668 9.778 572 1HD ARG 70 2HD ARG 70 16.174 3.211 11.564 573 2HD ARG 70 1HD ARG 70 14.449 3.269 11.207 574 HE ARG 70 HE ARG 70 14.971 1.308 13.246 575 1HH1 ARG 70 1HH2 ARG 70 14.818 4.691 12.595 576 2HH1 ARG 70 2HH2 ARG 70 14.387 5.118 14.217 577 1HH2 ARG 70 1HH1 ARG 70 14.408 1.847 15.367 578 2HH2 ARG 70 2HH1 ARG 70 14.154 3.508 15.787 579 H ILE 71 H ILE 71 16.451 -1.608 10.576 580 HA ILE 71 HA ILE 71 15.686 -2.528 13.291 581 HB ILE 71 HB ILE 71 16.973 -4.406 11.290 582 1HG1 ILE 71 2HG1 ILE 71 14.087 -4.164 12.193 583 2HG1 ILE 71 1HG1 ILE 71 14.700 -4.005 10.548 584 1HG2 ILE 71 1HG2 ILE 71 16.681 -6.069 12.977 585 2HG2 ILE 71 2HG2 ILE 71 15.638 -5.018 13.933 586 3HG2 ILE 71 3HG2 ILE 71 17.361 -4.669 13.805 587 1HD1 ILE 71 1HD1 ILE 71 13.827 -6.217 10.678 588 2HD1 ILE 71 2HD1 ILE 71 14.575 -6.499 12.250 589 3HD1 ILE 71 3HD1 ILE 71 15.577 -6.400 10.803 590 H LYS 72 H LYS 72 18.187 -2.073 10.831 591 HA LYS 72 HA LYS 72 20.132 -1.506 13.033 592 1HB LYS 72 2HB LYS 72 20.388 -3.784 11.759 593 2HB LYS 72 1HB LYS 72 21.005 -2.785 10.447 594 1HG LYS 72 2HG LYS 72 22.976 -3.246 11.596 595 2HG LYS 72 1HG LYS 72 22.501 -1.733 12.362 596 1HD LYS 72 2HD LYS 72 22.897 -3.040 14.241 597 2HD LYS 72 1HD LYS 72 21.178 -3.351 14.001 598 1HE LYS 72 2HE LYS 72 22.149 -5.499 14.288 599 2HE LYS 72 1HE LYS 72 21.910 -5.343 12.547 600 1HZ LYS 72 1HZ LYS 72 24.095 -6.149 12.907 601 2HZ LYS 72 2HZ LYS 72 24.430 -4.948 14.062 602 3HZ LYS 72 3HZ LYS 72 24.243 -4.530 12.426 603 H LEU 73 H LEU 73 21.943 -0.075 12.264 604 HA LEU 73 HA LEU 73 22.613 1.936 11.263 605 1HB LEU 73 2HB LEU 73 21.173 1.065 8.767 606 2HB LEU 73 1HB LEU 73 22.711 1.906 8.915 607 HG LEU 73 HG LEU 73 22.182 -0.990 9.609 608 1HD1 LEU 73 1HD1 LEU 73 23.913 0.336 7.503 609 2HD1 LEU 73 2HD1 LEU 73 22.410 -0.536 7.202 610 3HD1 LEU 73 3HD1 LEU 73 23.825 -1.400 7.805 611 1HD2 LEU 73 1HD2 LEU 73 23.749 -0.128 11.220 612 2HD2 LEU 73 2HD2 LEU 73 24.612 0.778 9.979 613 3HD2 LEU 73 3HD2 LEU 73 24.694 -0.983 10.002 614 HA PRO 74 HA PRO 74 19.071 4.596 11.303 615 1HB PRO 74 2HB PRO 74 19.811 6.760 9.863 616 2HB PRO 74 1HB PRO 74 20.634 6.289 11.360 617 1HG PRO 74 2HG PRO 74 21.541 6.044 8.565 618 2HG PRO 74 1HG PRO 74 22.487 6.185 10.055 619 1HD PRO 74 2HD PRO 74 21.883 3.790 8.593 620 2HD PRO 74 1HD PRO 74 22.767 3.920 10.130 621 H CYS 75 H CYS 75 19.469 6.124 8.288 622 HA CYS 75 HA CYS 75 16.806 5.542 7.459 623 1HB CYS 75 2HB CYS 75 18.113 7.553 6.799 624 2HB CYS 75 1HB CYS 75 19.097 6.530 5.754 625 H HIS 76 H HIS 76 18.455 3.095 7.859 626 HA HIS 76 HA HIS 76 18.372 1.970 5.085 627 1HB HIS 76 2HB HIS 76 20.452 1.806 6.741 628 2HB HIS 76 1HB HIS 76 19.528 0.455 7.402 629 HD1 HIS 76 1HD HIS 76 21.237 1.614 4.243 630 HD2 HIS 76 2HD HIS 76 19.383 -1.819 5.723 631 HE1 HIS 76 1HE HIS 76 21.732 -0.241 2.587 632 HE2 HIS 76 2HE HIS 76 20.609 -2.333 3.479 633 H TYR 77 H TYR 77 17.101 0.073 4.725 634 HA TYR 77 HA TYR 77 15.403 -0.808 7.018 635 1HB TYR 77 2HB TYR 77 14.199 -0.417 4.290 636 2HB TYR 77 1HB TYR 77 13.399 -0.480 5.862 637 HD1 TYR 77 1HD TYR 77 13.391 1.443 7.358 638 HD2 TYR 77 2HD TYR 77 15.354 1.609 3.543 639 HE1 TYR 77 1HE TYR 77 13.555 3.907 7.552 640 HE2 TYR 77 2HE TYR 77 15.518 4.078 3.733 641 HH TYR 77 HH TYR 77 14.847 5.733 6.679 642 H LYS 78 H LYS 78 14.216 -2.853 6.496 643 HA LYS 78 HA LYS 78 15.937 -4.629 4.817 644 1HB LYS 78 2HB LYS 78 13.994 -5.375 7.026 645 2HB LYS 78 1HB LYS 78 15.099 -6.466 6.194 646 1HG LYS 78 2HG LYS 78 16.110 -4.030 7.667 647 2HG LYS 78 1HG LYS 78 15.838 -5.558 8.500 648 1HD LYS 78 2HD LYS 78 17.311 -6.654 6.741 649 2HD LYS 78 1HD LYS 78 17.734 -5.028 6.200 650 1HE LYS 78 2HE LYS 78 18.230 -6.247 8.925 651 2HE LYS 78 1HE LYS 78 19.433 -5.698 7.759 652 1HZ LYS 78 1HZ LYS 78 19.024 -4.110 9.586 653 2HZ LYS 78 2HZ LYS 78 17.423 -3.931 9.045 654 3HZ LYS 78 3HZ LYS 78 18.717 -3.453 8.053 655 H LEU 79 H LEU 79 14.893 -6.086 3.368 656 HA LEU 79 HA LEU 79 12.313 -5.089 2.356 657 1HB LEU 79 2HB LEU 79 14.460 -5.867 1.005 658 2HB LEU 79 1HB LEU 79 13.742 -7.463 1.196 659 HG LEU 79 HG LEU 79 12.964 -6.538 -0.899 660 1HD1 LEU 79 1HD1 LEU 79 11.342 -7.740 0.683 661 2HD1 LEU 79 2HD1 LEU 79 10.620 -6.774 -0.602 662 3HD1 LEU 79 3HD1 LEU 79 10.684 -6.144 1.042 663 1HD2 LEU 79 1HD2 LEU 79 12.263 -4.371 -1.220 664 2HD2 LEU 79 2HD2 LEU 79 13.292 -4.084 0.181 665 3HD2 LEU 79 3HD2 LEU 79 11.548 -4.245 0.386 666 H SER 80 H SER 80 10.449 -5.937 3.110 667 HA SER 80 HA SER 80 10.330 -8.861 3.686 668 1HB SER 80 2HB SER 80 10.471 -8.113 5.896 669 2HB SER 80 1HB SER 80 9.668 -6.588 5.536 670 HG SER 80 HG SER 80 8.612 -8.886 6.402 671 H SER 81 H SER 81 8.202 -9.747 3.340 672 HA SER 81 HA SER 81 5.968 -8.039 2.624 673 1HB SER 81 2HB SER 81 7.010 -9.653 0.310 674 2HB SER 81 1HB SER 81 5.922 -8.267 0.298 675 HG SER 81 HG SER 81 8.669 -8.380 0.314 676 H SER 82 H SER 82 4.067 -9.346 1.970 677 HA SER 82 HA SER 82 4.225 -12.250 2.066 678 1HB SER 82 2HB SER 82 2.766 -12.412 4.139 679 2HB SER 82 1HB SER 82 4.431 -11.926 4.442 680 HG SER 82 HG SER 82 2.249 -10.140 4.093 681 H THR 83 H THR 83 1.996 -13.206 1.923 682 HA THR 83 HA THR 83 0.227 -11.347 0.431 683 HB THR 83 HB THR 83 -0.673 -13.871 -0.085 684 HG1 THR 83 1HG THR 83 1.380 -14.371 1.244 685 1HG2 THR 83 1HG2 THR 83 0.667 -13.701 -2.169 686 2HG2 THR 83 2HG2 THR 83 1.601 -12.400 -1.431 687 3HG2 THR 83 3HG2 THR 83 -0.117 -12.175 -1.761 688 H ASN 84 H ASN 84 -1.533 -10.673 1.536 689 HA ASN 84 HA ASN 84 -3.164 -12.582 3.042 690 1HB ASN 84 2HB ASN 84 -3.064 -11.318 5.172 691 2HB ASN 84 1HB ASN 84 -1.488 -11.986 4.746 692 1HD2 ASN 84 1HD2 ASN 84 -0.527 -10.211 6.099 693 2HD2 ASN 84 2HD2 ASN 84 -0.387 -8.651 5.444 694 H THR 85 H THR 85 -5.219 -11.504 3.796 695 HA THR 85 HA THR 85 -6.244 -9.756 1.781 696 HB THR 85 HB THR 85 -7.729 -9.654 4.298 697 HG1 THR 85 1HG THR 85 -8.078 -11.933 4.350 698 1HG2 THR 85 1HG2 THR 85 -8.812 -9.327 2.166 699 2HG2 THR 85 2HG2 THR 85 -9.427 -10.825 2.854 700 3HG2 THR 85 3HG2 THR 85 -8.221 -10.875 1.571 701 H ILE 86 H ILE 86 -7.319 -7.564 2.486 702 HA ILE 86 HA ILE 86 -5.637 -6.105 4.454 703 HB ILE 86 HB ILE 86 -4.921 -4.459 2.891 704 1HG1 ILE 86 2HG1 ILE 86 -6.870 -5.756 0.954 705 2HG1 ILE 86 1HG1 ILE 86 -7.009 -4.147 1.654 706 1HG2 ILE 86 1HG2 ILE 86 -3.669 -5.754 1.276 707 2HG2 ILE 86 2HG2 ILE 86 -4.826 -7.080 1.374 708 3HG2 ILE 86 3HG2 ILE 86 -3.789 -6.710 2.752 709 1HD1 ILE 86 1HD1 ILE 86 -6.115 -3.790 -0.517 710 2HD1 ILE 86 2HD1 ILE 86 -4.981 -5.131 -0.353 711 3HD1 ILE 86 3HD1 ILE 86 -4.736 -3.651 0.573 712 H CYS 87 H CYS 87 -6.627 -4.179 5.234 713 HA CYS 87 HA CYS 87 -9.513 -3.884 4.507 714 1HB CYS 87 2HB CYS 87 -9.398 -4.536 6.797 715 2HB CYS 87 1HB CYS 87 -8.017 -3.494 7.106 716 H ILE 88 H ILE 88 -10.082 -1.927 3.659 717 HA ILE 88 HA ILE 88 -8.465 0.469 4.269 718 HB ILE 88 HB ILE 88 -7.209 0.369 2.391 719 1HG1 ILE 88 2HG1 ILE 88 -9.801 0.358 0.807 720 2HG1 ILE 88 1HG1 ILE 88 -9.071 1.807 1.496 721 1HG2 ILE 88 1HG2 ILE 88 -7.624 -1.441 0.662 722 2HG2 ILE 88 2HG2 ILE 88 -8.994 -1.954 1.642 723 3HG2 ILE 88 3HG2 ILE 88 -7.363 -2.011 2.307 724 1HD1 ILE 88 1HD1 ILE 88 -7.623 1.972 -0.212 725 2HD1 ILE 88 2HD1 ILE 88 -8.495 0.662 -1.006 726 3HD1 ILE 88 3HD1 ILE 88 -7.094 0.303 0.001 727 H THR 89 H THR 89 -9.569 2.465 3.542 728 HA THR 89 HA THR 89 -12.506 1.983 3.333 729 HB THR 89 HB THR 89 -10.829 4.059 4.610 730 HG1 THR 89 1HG THR 89 -13.507 3.479 5.155 731 1HG2 THR 89 1HG2 THR 89 -11.813 5.530 2.989 732 2HG2 THR 89 2HG2 THR 89 -12.764 5.708 4.463 733 3HG2 THR 89 3HG2 THR 89 -13.381 4.733 3.130 734 H CYS 90 H CYS 90 -13.632 2.647 1.579 735 HA CYS 90 HA CYS 90 -12.212 4.247 -0.512 736 1HB CYS 90 2HB CYS 90 -12.289 1.746 -0.985 737 2HB CYS 90 1HB CYS 90 -14.042 1.902 -1.077 738 H VAL 91 H VAL 91 -13.538 5.717 -1.614 739 HA VAL 91 HA VAL 91 -16.101 6.331 -0.331 740 HB VAL 91 HB VAL 91 -16.081 8.318 -1.783 741 1HG1 VAL 91 1HG1 VAL 91 -14.004 9.325 -0.933 742 2HG1 VAL 91 2HG1 VAL 91 -13.361 7.721 -0.577 743 3HG1 VAL 91 3HG1 VAL 91 -14.758 8.328 0.312 744 1HG2 VAL 91 1HG2 VAL 91 -13.784 6.825 -3.054 745 2HG2 VAL 91 2HG2 VAL 91 -13.931 8.577 -3.204 746 3HG2 VAL 91 3HG2 VAL 91 -15.199 7.529 -3.838 747 H ASN 92 H ASN 92 -17.158 7.456 -2.910 748 HA ASN 92 HA ASN 92 -18.990 5.514 -3.626 749 1HB ASN 92 2HB ASN 92 -17.754 7.612 -5.411 750 2HB ASN 92 1HB ASN 92 -19.222 6.715 -5.797 751 1HD2 ASN 92 1HD2 ASN 92 -19.897 9.235 -5.731 752 2HD2 ASN 92 2HD2 ASN 92 -20.533 9.751 -4.244 753 H GLN 93 H GLN 93 -15.831 6.013 -5.044 754 HA GLN 93 HA GLN 93 -15.516 3.225 -5.682 755 1HB GLN 93 2HB GLN 93 -15.556 3.422 -8.157 756 2HB GLN 93 1HB GLN 93 -17.139 3.733 -7.443 757 1HG GLN 93 2HG GLN 93 -16.482 6.218 -7.467 758 2HG GLN 93 1HG GLN 93 -15.161 5.740 -8.533 759 1HE2 GLN 93 1HE2 GLN 93 -18.584 6.357 -8.381 760 2HE2 GLN 93 2HE2 GLN 93 -18.933 5.976 -9.998 761 H LEU 94 H LEU 94 -13.891 5.041 -4.363 762 HA LEU 94 HA LEU 94 -11.476 4.954 -6.061 763 1HB LEU 94 2HB LEU 94 -12.642 7.495 -4.904 764 2HB LEU 94 1HB LEU 94 -10.927 7.348 -5.274 765 HG LEU 94 HG LEU 94 -12.060 6.420 -7.608 766 1HD1 LEU 94 1HD1 LEU 94 -13.728 8.819 -6.850 767 2HD1 LEU 94 2HD1 LEU 94 -14.305 7.180 -6.558 768 3HD1 LEU 94 3HD1 LEU 94 -13.949 7.708 -8.201 769 1HD2 LEU 94 1HD2 LEU 94 -10.263 8.004 -7.605 770 2HD2 LEU 94 2HD2 LEU 94 -11.242 9.213 -6.774 771 3HD2 LEU 94 3HD2 LEU 94 -11.601 8.785 -8.447 772 HA PRO 95 HA PRO 95 -10.394 3.735 -1.828 773 1HB PRO 95 2HB PRO 95 -8.006 2.555 -2.416 774 2HB PRO 95 1HB PRO 95 -9.566 1.765 -2.714 775 1HG PRO 95 2HG PRO 95 -7.735 3.114 -4.622 776 2HG PRO 95 1HG PRO 95 -8.747 1.679 -4.848 777 1HD PRO 95 2HD PRO 95 -9.398 4.221 -5.760 778 2HD PRO 95 1HD PRO 95 -10.578 2.923 -5.475 779 H ILE 96 H ILE 96 -9.397 5.062 -0.315 780 HA ILE 96 HA ILE 96 -6.938 6.511 -1.144 781 HB ILE 96 HB ILE 96 -7.829 8.655 -0.374 782 1HG1 ILE 96 2HG1 ILE 96 -10.420 8.671 -0.046 783 2HG1 ILE 96 1HG1 ILE 96 -10.236 6.949 0.275 784 1HG2 ILE 96 1HG2 ILE 96 -8.203 7.724 -2.752 785 2HG2 ILE 96 2HG2 ILE 96 -9.189 9.098 -2.257 786 3HG2 ILE 96 3HG2 ILE 96 -9.874 7.473 -2.252 787 1HD1 ILE 96 1HD1 ILE 96 -8.316 8.650 1.740 788 2HD1 ILE 96 2HD1 ILE 96 -9.307 7.312 2.312 789 3HD1 ILE 96 3HD1 ILE 96 -10.003 8.922 2.169 790 H HIS 97 H HIS 97 -8.571 4.748 1.293 791 HA HIS 97 HA HIS 97 -6.646 5.880 3.307 792 1HB HIS 97 2HB HIS 97 -9.527 5.343 3.465 793 2HB HIS 97 1HB HIS 97 -8.619 4.623 4.794 794 HD1 HIS 97 1HD HIS 97 -6.424 6.794 5.113 795 HD2 HIS 97 2HD HIS 97 -10.491 7.638 4.724 796 HE1 HIS 97 1HE HIS 97 -6.779 9.095 6.116 797 HE2 HIS 97 2HE HIS 97 -9.250 9.617 5.884 798 H PHE 98 H PHE 98 -5.327 4.454 4.332 799 HA PHE 98 HA PHE 98 -5.578 1.573 3.573 800 1HB PHE 98 2HB PHE 98 -3.447 2.706 2.966 801 2HB PHE 98 1HB PHE 98 -3.187 3.092 4.667 802 HD1 PHE 98 1HD PHE 98 -3.796 0.205 2.363 803 HD2 PHE 98 2HD PHE 98 -2.109 1.549 6.077 804 HE1 PHE 98 1HE PHE 98 -2.792 -2.035 2.718 805 HE2 PHE 98 2HE PHE 98 -1.104 -0.690 6.431 806 HZ PHE 98 HZ PHE 98 -1.445 -2.482 4.751 807 H ALA 99 H ALA 99 -6.831 0.651 5.176 808 HA ALA 99 HA ALA 99 -6.955 1.478 7.884 809 1HB ALA 99 1HB ALA 99 -8.405 -0.241 6.502 810 2HB ALA 99 2HB ALA 99 -8.246 -0.429 8.247 811 3HB ALA 99 3HB ALA 99 -7.272 -1.419 7.165 812 H GLY 100 H GLY 100 -5.481 -1.639 6.932 813 1HA GLY 100 2HA GLY 100 -2.920 -1.042 8.121 814 2HA GLY 100 1HA GLY 100 -3.922 -1.975 9.234 815 H VAL 101 H VAL 101 -2.314 -3.714 8.970 816 HA VAL 101 HA VAL 101 -2.255 -5.026 6.312 817 HB VAL 101 HB VAL 101 -0.142 -4.813 7.572 818 1HG1 VAL 101 1HG1 VAL 101 -1.280 -4.939 9.833 819 2HG1 VAL 101 2HG1 VAL 101 0.177 -5.922 9.687 820 3HG1 VAL 101 3HG1 VAL 101 -1.412 -6.682 9.592 821 1HG2 VAL 101 1HG2 VAL 101 -1.064 -7.701 7.519 822 2HG2 VAL 101 2HG2 VAL 101 0.583 -7.104 7.323 823 3HG2 VAL 101 3HG2 VAL 101 -0.622 -6.797 6.072 824 H GLY 102 H GLY 102 -3.129 -7.090 5.949 825 1HA GLY 102 2HA GLY 102 -4.473 -8.981 6.346 826 2HA GLY 102 1HA GLY 102 -4.254 -8.705 8.074 827 H SER 103 H SER 103 -6.680 -9.409 7.803 828 HA SER 103 HA SER 103 -8.571 -7.513 6.769 829 1HB SER 103 2HB SER 103 -8.923 -9.609 8.932 830 2HB SER 103 1HB SER 103 -10.231 -8.773 8.102 831 HG SER 103 HG SER 103 -9.886 -10.690 7.041 832 H CYS 104 H CYS 104 -9.788 -5.924 7.881 833 HA CYS 104 HA CYS 104 -8.479 -4.319 9.764 834 1HB CYS 104 2HB CYS 104 -11.119 -4.458 8.587 835 2HB CYS 104 1HB CYS 104 -11.254 -4.031 10.291 836 HA PRO 105 HA PRO 105 -8.608 -5.924 13.858 837 1HB PRO 105 2HB PRO 105 -10.776 -3.940 14.480 838 2HB PRO 105 1HB PRO 105 -9.294 -4.310 15.386 839 1HG PRO 105 2HG PRO 105 -9.496 -2.138 13.836 840 2HG PRO 105 1HG PRO 105 -7.975 -3.025 14.021 841 1HD PRO 105 2HD PRO 105 -9.762 -2.872 11.665 842 2HD PRO 105 1HD PRO 105 -8.042 -3.308 11.748 Start of MODEL 18 1 HN PCA 1 H PCA 1 -6.616 8.731 1.319 2 HA PCA 1 HA PCA 1 -8.143 10.725 2.027 3 1HB PCA 1 1HB PCA 1 -6.913 12.042 3.416 4 2HB PCA 1 2HB PCA 1 -6.192 12.708 1.970 5 1HG PCA 1 1HG PCA 1 -4.942 11.283 3.846 6 2HG PCA 1 2HG PCA 1 -4.416 11.462 2.156 7 H ASP 2 H ASP 2 -6.242 9.597 -0.377 8 HA ASP 2 HA ASP 2 -7.691 11.038 -2.397 9 1HB ASP 2 2HB ASP 2 -5.001 12.058 -1.587 10 2HB ASP 2 1HB ASP 2 -5.341 11.987 -3.315 11 H TRP 3 H TRP 3 -7.828 9.542 -3.989 12 HA TRP 3 HA TRP 3 -6.466 7.108 -4.062 13 1HB TRP 3 2HB TRP 3 -8.374 7.262 -5.420 14 2HB TRP 3 1HB TRP 3 -7.827 8.753 -6.176 15 HD1 TRP 3 HD TRP 3 -7.703 8.103 -8.628 16 HE1 TRP 3 1HE TRP 3 -6.417 6.340 -9.994 17 HE3 TRP 3 3HE TRP 3 -5.745 5.270 -4.834 18 HZ2 TRP 3 2HZ TRP 3 -4.789 4.042 -9.550 19 HZ3 TRP 3 3HZ TRP 3 -4.339 3.307 -5.347 20 HH2 TRP 3 HH TRP 3 -3.856 2.686 -7.697 21 H GLU 4 H GLU 4 -5.452 10.216 -5.397 22 HA GLU 4 HA GLU 4 -3.290 9.265 -6.999 23 1HB GLU 4 2HB GLU 4 -4.184 11.624 -6.982 24 2HB GLU 4 1HB GLU 4 -3.365 11.863 -5.437 25 1HG GLU 4 2HG GLU 4 -1.206 11.274 -6.507 26 2HG GLU 4 1HG GLU 4 -2.036 11.098 -8.053 27 H THR 5 H THR 5 -2.711 11.015 -3.938 28 HA THR 5 HA THR 5 -0.166 9.927 -3.483 29 HB THR 5 HB THR 5 -1.169 11.784 -2.160 30 HG1 THR 5 1HG THR 5 0.531 10.077 -1.428 31 1HG2 THR 5 1HG2 THR 5 -3.366 10.448 -1.861 32 2HG2 THR 5 2HG2 THR 5 -2.798 11.413 -0.499 33 3HG2 THR 5 3HG2 THR 5 -2.540 9.669 -0.513 34 H PHE 6 H PHE 6 -3.317 8.681 -2.308 35 HA PHE 6 HA PHE 6 -2.396 6.444 -0.896 36 1HB PHE 6 2HB PHE 6 -4.828 7.266 -1.355 37 2HB PHE 6 1HB PHE 6 -4.744 6.226 -2.777 38 HD1 PHE 6 1HD PHE 6 -5.045 3.885 -2.585 39 HD2 PHE 6 2HD PHE 6 -4.287 6.244 0.923 40 HE1 PHE 6 1HE PHE 6 -5.513 1.911 -1.158 41 HE2 PHE 6 2HE PHE 6 -4.755 4.275 2.348 42 HZ PHE 6 HZ PHE 6 -5.369 2.106 1.311 43 H GLN 7 H GLN 7 -2.279 7.105 -4.296 44 HA GLN 7 HA GLN 7 -1.688 4.292 -4.973 45 1HB GLN 7 2HB GLN 7 -3.030 5.820 -6.496 46 2HB GLN 7 1HB GLN 7 -1.543 6.720 -6.781 47 1HG GLN 7 2HG GLN 7 -1.644 3.735 -7.195 48 2HG GLN 7 1HG GLN 7 -2.174 4.845 -8.459 49 1HE2 GLN 7 1HE2 GLN 7 -0.358 6.905 -8.373 50 2HE2 GLN 7 2HE2 GLN 7 1.220 6.334 -8.625 51 H LYS 8 H LYS 8 -0.077 7.219 -4.134 52 HA LYS 8 HA LYS 8 2.492 6.365 -5.315 53 1HB LYS 8 2HB LYS 8 1.961 8.723 -3.496 54 2HB LYS 8 1HB LYS 8 3.330 8.495 -4.583 55 1HG LYS 8 2HG LYS 8 0.532 8.488 -5.701 56 2HG LYS 8 1HG LYS 8 1.320 10.019 -5.334 57 1HD LYS 8 2HD LYS 8 3.217 9.410 -6.772 58 2HD LYS 8 1HD LYS 8 2.465 7.853 -7.120 59 1HE LYS 8 2HE LYS 8 0.501 9.057 -8.078 60 2HE LYS 8 1HE LYS 8 1.347 10.583 -7.819 61 1HZ LYS 8 1HZ LYS 8 2.507 8.359 -9.393 62 2HZ LYS 8 2HZ LYS 8 3.022 9.978 -9.331 63 3HZ LYS 8 3HZ LYS 8 1.559 9.577 -10.096 64 H LYS 9 H LYS 9 1.256 7.030 -1.999 65 HA LYS 9 HA LYS 9 3.696 5.810 -0.882 66 1HB LYS 9 2HB LYS 9 2.501 6.387 1.327 67 2HB LYS 9 1HB LYS 9 3.019 7.726 0.304 68 1HG LYS 9 2HG LYS 9 0.833 8.165 -0.448 69 2HG LYS 9 1HG LYS 9 0.250 6.567 0.021 70 1HD LYS 9 2HD LYS 9 0.406 7.128 2.370 71 2HD LYS 9 1HD LYS 9 1.197 8.660 1.997 72 1HE LYS 9 2HE LYS 9 -0.767 9.625 1.168 73 2HE LYS 9 1HE LYS 9 -1.514 8.061 0.840 74 1HZ LYS 9 1HZ LYS 9 -1.106 7.958 3.496 75 2HZ LYS 9 2HZ LYS 9 -2.566 8.422 2.761 76 3HZ LYS 9 3HZ LYS 9 -1.459 9.602 3.277 77 H HIS 10 H HIS 10 0.190 5.028 -0.922 78 HA HIS 10 HA HIS 10 0.700 2.624 0.690 79 1HB HIS 10 2HB HIS 10 -1.763 3.824 -0.556 80 2HB HIS 10 1HB HIS 10 -1.791 2.199 0.126 81 HD1 HIS 10 1HD HIS 10 -0.958 2.047 2.715 82 HD2 HIS 10 2HD HIS 10 -2.015 5.839 1.339 83 HE1 HIS 10 1HE HIS 10 -1.321 3.482 4.773 84 HE2 HIS 10 2HE HIS 10 -1.964 5.792 3.946 85 H LEU 11 H LEU 11 1.046 3.295 -2.611 86 HA LEU 11 HA LEU 11 1.004 0.367 -3.151 87 1HB LEU 11 2HB LEU 11 -0.514 2.472 -4.676 88 2HB LEU 11 1HB LEU 11 -0.036 0.959 -5.436 89 HG LEU 11 HG LEU 11 -1.110 0.076 -3.061 90 1HD1 LEU 11 1HD1 LEU 11 -2.705 2.471 -3.992 91 2HD1 LEU 11 2HD1 LEU 11 -1.959 2.246 -2.412 92 3HD1 LEU 11 3HD1 LEU 11 -3.322 1.239 -2.895 93 1HD2 LEU 11 1HD2 LEU 11 -3.181 -0.386 -4.517 94 2HD2 LEU 11 2HD2 LEU 11 -1.638 -1.007 -5.105 95 3HD2 LEU 11 3HD2 LEU 11 -2.317 0.464 -5.799 96 H THR 12 H THR 12 2.282 -0.294 -4.919 97 HA THR 12 HA THR 12 4.094 1.779 -6.072 98 HB THR 12 HB THR 12 5.367 0.910 -4.210 99 HG1 THR 12 1HG THR 12 6.587 -0.692 -5.989 100 1HG2 THR 12 1HG2 THR 12 4.921 -1.153 -3.414 101 2HG2 THR 12 2HG2 THR 12 5.692 -1.836 -4.843 102 3HG2 THR 12 3HG2 THR 12 3.958 -1.530 -4.841 103 H ASP 13 H ASP 13 5.761 0.016 -7.477 104 HA ASP 13 HA ASP 13 3.794 -1.372 -9.265 105 1HB ASP 13 2HB ASP 13 6.354 0.070 -10.011 106 2HB ASP 13 1HB ASP 13 5.304 -0.793 -11.136 107 H THR 14 H THR 14 6.052 -2.136 -7.030 108 HA THR 14 HA THR 14 6.739 -4.629 -8.497 109 HB THR 14 HB THR 14 8.620 -3.027 -8.863 110 HG1 THR 14 1HG THR 14 9.639 -4.891 -7.078 111 1HG2 THR 14 1HG2 THR 14 9.032 -3.249 -5.875 112 2HG2 THR 14 2HG2 THR 14 8.263 -1.861 -6.643 113 3HG2 THR 14 3HG2 THR 14 9.942 -2.255 -7.012 114 H LYS 15 H LYS 15 7.242 -6.388 -7.103 115 HA LYS 15 HA LYS 15 5.995 -6.232 -4.481 116 1HB LYS 15 2HB LYS 15 6.730 -8.616 -4.291 117 2HB LYS 15 1HB LYS 15 5.829 -8.297 -5.772 118 1HG LYS 15 2HG LYS 15 8.078 -7.935 -6.917 119 2HG LYS 15 1HG LYS 15 8.824 -8.589 -5.460 120 1HD LYS 15 2HD LYS 15 6.830 -9.998 -7.256 121 2HD LYS 15 1HD LYS 15 8.538 -10.396 -7.062 122 1HE LYS 15 2HE LYS 15 7.954 -10.667 -4.538 123 2HE LYS 15 1HE LYS 15 6.283 -10.766 -5.097 124 1HZ LYS 15 1HZ LYS 15 7.356 -12.948 -4.932 125 2HZ LYS 15 2HZ LYS 15 8.508 -12.468 -6.085 126 3HZ LYS 15 3HZ LYS 15 6.870 -12.597 -6.518 127 H LYS 16 H LYS 16 9.163 -5.738 -5.707 128 HA LYS 16 HA LYS 16 10.278 -5.811 -2.923 129 1HB LYS 16 2HB LYS 16 11.533 -6.422 -5.604 130 2HB LYS 16 1HB LYS 16 12.518 -6.009 -4.200 131 1HG LYS 16 2HG LYS 16 12.007 -7.968 -3.085 132 2HG LYS 16 1HG LYS 16 10.417 -8.107 -3.835 133 1HD LYS 16 2HD LYS 16 11.311 -8.966 -5.851 134 2HD LYS 16 1HD LYS 16 12.946 -8.433 -5.452 135 1HE LYS 16 2HE LYS 16 11.454 -10.492 -3.811 136 2HE LYS 16 1HE LYS 16 12.505 -10.927 -5.158 137 1HZ LYS 16 1HZ LYS 16 13.232 -10.312 -2.531 138 2HZ LYS 16 2HZ LYS 16 13.858 -9.091 -3.535 139 3HZ LYS 16 3HZ LYS 16 14.243 -10.720 -3.830 140 H VAL 17 H VAL 17 9.108 -3.546 -3.176 141 HA VAL 17 HA VAL 17 10.093 -1.483 -4.798 142 HB VAL 17 HB VAL 17 9.432 0.075 -2.994 143 1HG1 VAL 17 1HG1 VAL 17 7.630 -2.261 -3.610 144 2HG1 VAL 17 2HG1 VAL 17 7.653 -0.669 -4.364 145 3HG1 VAL 17 3HG1 VAL 17 7.073 -0.850 -2.710 146 1HG2 VAL 17 1HG2 VAL 17 9.394 -2.493 -1.411 147 2HG2 VAL 17 2HG2 VAL 17 8.397 -1.120 -0.930 148 3HG2 VAL 17 3HG2 VAL 17 10.150 -0.955 -0.998 149 H LYS 18 H LYS 18 11.497 0.333 -4.110 150 HA LYS 18 HA LYS 18 13.958 -0.736 -2.831 151 1HB LYS 18 2HB LYS 18 14.743 1.675 -3.796 152 2HB LYS 18 1HB LYS 18 14.762 0.211 -4.775 153 1HG LYS 18 2HG LYS 18 13.658 2.018 -5.999 154 2HG LYS 18 1HG LYS 18 12.489 0.758 -5.612 155 1HD LYS 18 2HD LYS 18 11.564 2.041 -3.814 156 2HD LYS 18 1HD LYS 18 12.897 3.190 -3.866 157 1HE LYS 18 2HE LYS 18 12.177 3.780 -6.219 158 2HE LYS 18 1HE LYS 18 10.736 2.800 -5.949 159 1HZ LYS 18 1HZ LYS 18 10.880 4.389 -3.743 160 2HZ LYS 18 2HZ LYS 18 9.857 4.628 -5.077 161 3HZ LYS 18 3HZ LYS 18 11.354 5.427 -4.999 162 H CYS 19 H CYS 19 12.381 -0.465 -0.891 163 HA CYS 19 HA CYS 19 11.395 1.698 0.327 164 1HB CYS 19 2HB CYS 19 13.339 -0.269 1.552 165 2HB CYS 19 1HB CYS 19 12.414 0.892 2.504 166 H ASP 20 H ASP 20 14.859 1.228 -0.200 167 HA ASP 20 HA ASP 20 16.004 3.182 1.398 168 1HB ASP 20 2HB ASP 20 17.346 1.770 -0.075 169 2HB ASP 20 1HB ASP 20 16.661 2.559 -1.496 170 H VAL 21 H VAL 21 14.336 3.662 -1.701 171 HA VAL 21 HA VAL 21 14.493 6.613 -1.251 172 HB VAL 21 HB VAL 21 13.481 5.326 -3.769 173 1HG1 VAL 21 1HG1 VAL 21 14.498 7.377 -4.755 174 2HG1 VAL 21 2HG1 VAL 21 14.978 7.884 -3.137 175 3HG1 VAL 21 3HG1 VAL 21 13.269 7.749 -3.548 176 1HG2 VAL 21 1HG2 VAL 21 16.359 5.636 -2.894 177 2HG2 VAL 21 2HG2 VAL 21 15.889 5.466 -4.585 178 3HG2 VAL 21 3HG2 VAL 21 15.554 4.166 -3.442 179 H GLU 22 H GLU 22 12.281 3.890 -1.661 180 HA GLU 22 HA GLU 22 9.856 5.353 -1.933 181 1HB GLU 22 2HB GLU 22 10.531 2.668 -1.696 182 2HB GLU 22 1HB GLU 22 9.630 2.978 -0.213 183 1HG GLU 22 2HG GLU 22 7.994 2.342 -1.824 184 2HG GLU 22 1HG GLU 22 7.864 4.097 -1.692 185 H MET 23 H MET 23 12.103 5.521 0.478 186 HA MET 23 HA MET 23 10.110 6.644 2.393 187 1HB MET 23 2HB MET 23 12.265 4.602 2.927 188 2HB MET 23 1HB MET 23 11.693 5.664 4.211 189 1HG MET 23 2HG MET 23 9.486 4.458 2.696 190 2HG MET 23 1HG MET 23 10.518 3.253 3.461 191 1HE MET 23 1HE MET 23 10.620 3.976 7.064 192 2HE MET 23 2HE MET 23 11.423 3.398 5.606 193 3HE MET 23 3HE MET 23 9.969 2.588 6.181 194 H ALA 24 H ALA 24 13.591 6.379 1.569 195 HA ALA 24 HA ALA 24 14.246 8.778 3.078 196 1HB ALA 24 1HB ALA 24 16.459 8.428 2.401 197 2HB ALA 24 2HB ALA 24 15.980 7.691 0.872 198 3HB ALA 24 3HB ALA 24 15.803 6.792 2.380 199 H LYS 25 H LYS 25 12.490 8.434 0.342 200 HA LYS 25 HA LYS 25 13.596 10.326 -1.472 201 1HB LYS 25 2HB LYS 25 11.191 10.603 -2.240 202 2HB LYS 25 1HB LYS 25 11.785 8.947 -2.223 203 1HG LYS 25 2HG LYS 25 10.800 8.893 0.209 204 2HG LYS 25 1HG LYS 25 9.862 10.281 -0.335 205 1HD LYS 25 2HD LYS 25 9.902 7.509 -1.541 206 2HD LYS 25 1HD LYS 25 8.545 8.308 -0.759 207 1HE LYS 25 2HE LYS 25 8.878 10.134 -2.602 208 2HE LYS 25 1HE LYS 25 9.767 8.869 -3.449 209 1HZ LYS 25 1HZ LYS 25 7.090 9.201 -3.522 210 2HZ LYS 25 2HZ LYS 25 7.263 7.984 -2.351 211 3HZ LYS 25 3HZ LYS 25 7.904 7.765 -3.909 212 H ALA 26 H ALA 26 10.866 11.931 -1.265 213 HA ALA 26 HA ALA 26 11.872 13.850 0.807 214 1HB ALA 26 1HB ALA 26 10.498 14.424 -1.831 215 2HB ALA 26 2HB ALA 26 12.185 14.753 -1.436 216 3HB ALA 26 3HB ALA 26 10.898 15.641 -0.620 217 H LEU 27 H LEU 27 9.136 12.049 -0.373 218 HA LEU 27 HA LEU 27 7.214 13.709 1.116 219 1HB LEU 27 2HB LEU 27 5.539 12.506 0.050 220 2HB LEU 27 1HB LEU 27 6.845 12.369 -1.120 221 HG LEU 27 HG LEU 27 7.463 10.189 0.221 222 1HD1 LEU 27 1HD1 LEU 27 4.854 9.346 0.741 223 2HD1 LEU 27 2HD1 LEU 27 4.895 10.971 1.414 224 3HD1 LEU 27 3HD1 LEU 27 6.061 9.766 1.949 225 1HD2 LEU 27 1HD2 LEU 27 4.979 10.246 -1.523 226 2HD2 LEU 27 2HD2 LEU 27 6.085 8.890 -1.307 227 3HD2 LEU 27 3HD2 LEU 27 6.625 10.344 -2.145 228 H PHE 28 H PHE 28 9.390 11.324 1.994 229 HA PHE 28 HA PHE 28 7.670 10.545 4.323 230 1HB PHE 28 2HB PHE 28 9.484 8.931 2.587 231 2HB PHE 28 1HB PHE 28 9.483 8.550 4.303 232 HD1 PHE 28 1HD PHE 28 8.076 7.570 1.332 233 HD2 PHE 28 2HD PHE 28 6.871 8.705 5.297 234 HE1 PHE 28 1HE PHE 28 5.958 6.315 1.047 235 HE2 PHE 28 2HE PHE 28 4.753 7.452 5.009 236 HZ PHE 28 HZ PHE 28 4.296 6.257 2.886 237 H ASP 29 H ASP 29 10.948 11.342 3.225 238 HA ASP 29 HA ASP 29 12.653 12.452 4.407 239 1HB ASP 29 2HB ASP 29 11.049 12.406 6.948 240 2HB ASP 29 1HB ASP 29 12.159 13.637 6.350 241 H CYS 30 H CYS 30 12.336 9.548 4.259 242 HA CYS 30 HA CYS 30 13.349 7.630 5.139 243 1HB CYS 30 2HB CYS 30 15.319 9.201 5.077 244 2HB CYS 30 1HB CYS 30 14.986 9.595 6.761 245 H LYS 31 H LYS 31 11.162 7.370 6.297 246 HA LYS 31 HA LYS 31 11.066 8.027 9.136 247 1HB LYS 31 2HB LYS 31 9.392 5.957 7.694 248 2HB LYS 31 1HB LYS 31 8.981 6.825 9.167 249 1HG LYS 31 2HG LYS 31 9.377 8.118 6.459 250 2HG LYS 31 1HG LYS 31 7.810 7.711 7.148 251 1HD LYS 31 2HD LYS 31 9.828 9.662 8.296 252 2HD LYS 31 1HD LYS 31 8.287 10.066 7.549 253 1HE LYS 31 2HE LYS 31 7.650 10.108 9.770 254 2HE LYS 31 1HE LYS 31 7.345 8.409 9.415 255 1HZ LYS 31 1HZ LYS 31 10.057 9.038 10.212 256 2HZ LYS 31 2HZ LYS 31 9.055 7.750 10.685 257 3HZ LYS 31 3HZ LYS 31 8.888 9.274 11.418 258 H LYS 32 H LYS 32 9.940 4.974 9.123 259 HA LYS 32 HA LYS 32 12.520 3.585 9.492 260 1HB LYS 32 2HB LYS 32 12.008 2.899 11.784 261 2HB LYS 32 1HB LYS 32 12.048 4.660 11.689 262 1HG LYS 32 2HG LYS 32 9.537 4.604 11.365 263 2HG LYS 32 1HG LYS 32 9.598 2.882 11.742 264 1HD LYS 32 2HD LYS 32 10.606 5.095 13.555 265 2HD LYS 32 1HD LYS 32 9.070 4.249 13.748 266 1HE LYS 32 2HE LYS 32 10.525 2.086 13.739 267 2HE LYS 32 1HE LYS 32 11.865 3.179 14.092 268 1HZ LYS 32 1HZ LYS 32 10.423 2.129 15.995 269 2HZ LYS 32 2HZ LYS 32 9.412 3.454 15.663 270 3HZ LYS 32 3HZ LYS 32 11.029 3.707 16.121 271 H THR 33 H THR 33 8.994 3.515 9.416 272 HA THR 33 HA THR 33 9.153 0.710 8.407 273 HB THR 33 HB THR 33 8.462 0.664 10.803 274 HG1 THR 33 1HG THR 33 6.085 -0.012 9.870 275 1HG2 THR 33 1HG2 THR 33 6.020 2.192 9.881 276 2HG2 THR 33 2HG2 THR 33 7.386 2.961 10.689 277 3HG2 THR 33 3HG2 THR 33 6.442 1.731 11.530 278 H ASN 34 H ASN 34 7.611 0.257 6.785 279 HA ASN 34 HA ASN 34 5.464 2.152 6.199 280 1HB ASN 34 2HB ASN 34 8.069 2.343 4.850 281 2HB ASN 34 1HB ASN 34 6.724 2.176 3.726 282 1HD2 ASN 34 1HD2 ASN 34 7.195 4.490 3.117 283 2HD2 ASN 34 2HD2 ASN 34 6.597 5.739 4.098 284 H THR 35 H THR 35 4.031 1.346 4.564 285 HA THR 35 HA THR 35 4.622 -1.399 3.558 286 HB THR 35 HB THR 35 1.945 -0.631 4.736 287 HG1 THR 35 1HG THR 35 2.596 -1.502 6.611 288 1HG2 THR 35 1HG2 THR 35 3.242 -3.277 4.026 289 2HG2 THR 35 2HG2 THR 35 1.939 -2.489 3.139 290 3HG2 THR 35 3HG2 THR 35 1.653 -3.094 4.770 291 H PHE 36 H PHE 36 3.406 -1.963 1.663 292 HA PHE 36 HA PHE 36 1.726 0.134 0.414 293 1HB PHE 36 2HB PHE 36 3.824 -0.969 -1.397 294 2HB PHE 36 1HB PHE 36 3.066 0.614 -1.402 295 HD1 PHE 36 1HD PHE 36 5.274 -1.432 0.851 296 HD2 PHE 36 2HD PHE 36 4.418 2.417 -0.845 297 HE1 PHE 36 1HE PHE 36 7.261 -0.493 1.984 298 HE2 PHE 36 2HE PHE 36 6.406 3.359 0.291 299 HZ PHE 36 HZ PHE 36 7.832 1.904 1.700 300 H ILE 37 H ILE 37 1.067 -0.867 -1.908 301 HA ILE 37 HA ILE 37 0.602 -3.794 -1.493 302 HB ILE 37 HB ILE 37 -1.327 -1.937 -2.882 303 1HG1 ILE 37 2HG1 ILE 37 -1.845 -2.963 -0.109 304 2HG1 ILE 37 1HG1 ILE 37 -0.811 -1.550 -0.285 305 1HG2 ILE 37 1HG2 ILE 37 -2.890 -3.857 -2.217 306 2HG2 ILE 37 2HG2 ILE 37 -1.426 -4.770 -1.857 307 3HG2 ILE 37 3HG2 ILE 37 -1.720 -4.188 -3.493 308 1HD1 ILE 37 1HD1 ILE 37 -3.456 -1.663 -1.713 309 2HD1 ILE 37 2HD1 ILE 37 -2.514 -0.251 -1.231 310 3HD1 ILE 37 3HD1 ILE 37 -3.377 -1.191 -0.015 311 H TYR 38 H TYR 38 1.148 -5.090 -3.182 312 HA TYR 38 HA TYR 38 2.240 -3.763 -5.603 313 1HB TYR 38 2HB TYR 38 3.585 -5.554 -4.650 314 2HB TYR 38 1HB TYR 38 2.215 -6.661 -4.708 315 HD1 TYR 38 1HD TYR 38 3.995 -4.318 -7.047 316 HD2 TYR 38 2HD TYR 38 2.197 -8.178 -6.474 317 HE1 TYR 38 1HE TYR 38 4.591 -4.943 -9.373 318 HE2 TYR 38 2HE TYR 38 2.794 -8.800 -8.798 319 HH TYR 38 HH TYR 38 3.453 -7.941 -10.818 320 H ALA 39 H ALA 39 0.367 -3.081 -6.727 321 HA ALA 39 HA ALA 39 -1.108 -5.262 -8.071 322 1HB ALA 39 1HB ALA 39 -2.419 -3.166 -6.328 323 2HB ALA 39 2HB ALA 39 -2.582 -4.919 -6.219 324 3HB ALA 39 3HB ALA 39 -3.300 -4.049 -7.575 325 H LEU 40 H LEU 40 -2.076 -4.552 -10.058 326 HA LEU 40 HA LEU 40 -0.803 -2.145 -11.147 327 1HB LEU 40 2HB LEU 40 -1.151 -3.075 -13.212 328 2HB LEU 40 1HB LEU 40 -1.288 -4.541 -12.252 329 HG LEU 40 HG LEU 40 -3.858 -3.777 -12.135 330 1HD1 LEU 40 1HD1 LEU 40 -4.587 -2.614 -14.069 331 2HD1 LEU 40 2HD1 LEU 40 -3.043 -2.833 -14.886 332 3HD1 LEU 40 3HD1 LEU 40 -3.174 -1.709 -13.538 333 1HD2 LEU 40 1HD2 LEU 40 -4.184 -5.160 -14.257 334 2HD2 LEU 40 2HD2 LEU 40 -3.236 -5.926 -12.983 335 3HD2 LEU 40 3HD2 LEU 40 -2.425 -5.216 -14.379 336 HA PRO 41 HA PRO 41 -3.827 0.963 -10.487 337 1HB PRO 41 2HB PRO 41 -4.080 1.126 -13.458 338 2HB PRO 41 1HB PRO 41 -3.781 2.415 -12.280 339 1HG PRO 41 2HG PRO 41 -1.858 1.255 -13.860 340 2HG PRO 41 1HG PRO 41 -1.545 2.114 -12.346 341 1HD PRO 41 2HD PRO 41 -1.209 -0.710 -12.897 342 2HD PRO 41 1HD PRO 41 -0.824 0.171 -11.404 343 H GLY 42 H GLY 42 -4.748 -0.942 -13.380 344 1HA GLY 42 2HA GLY 42 -7.534 -0.630 -13.148 345 2HA GLY 42 1HA GLY 42 -6.773 -2.039 -13.883 346 H ARG 43 H ARG 43 -5.538 -3.256 -11.776 347 HA ARG 43 HA ARG 43 -7.683 -4.572 -10.434 348 1HB ARG 43 2HB ARG 43 -5.345 -5.480 -10.922 349 2HB ARG 43 1HB ARG 43 -4.800 -4.545 -9.530 350 1HG ARG 43 2HG ARG 43 -5.282 -6.559 -8.491 351 2HG ARG 43 1HG ARG 43 -6.843 -5.754 -8.336 352 1HD ARG 43 2HD ARG 43 -7.397 -6.853 -10.624 353 2HD ARG 43 1HD ARG 43 -6.021 -7.903 -10.287 354 HE ARG 43 HE ARG 43 -7.527 -8.045 -7.971 355 1HH1 ARG 43 1HH2 ARG 43 -8.104 -8.446 -11.347 356 2HH1 ARG 43 2HH2 ARG 43 -9.360 -9.618 -11.129 357 1HH2 ARG 43 1HH1 ARG 43 -9.164 -9.574 -7.667 358 2HH2 ARG 43 2HH1 ARG 43 -9.959 -10.258 -9.046 359 H VAL 44 H VAL 44 -5.754 -1.765 -9.607 360 HA VAL 44 HA VAL 44 -6.460 -1.827 -6.776 361 HB VAL 44 HB VAL 44 -5.368 0.434 -8.478 362 1HG1 VAL 44 1HG1 VAL 44 -6.214 1.452 -6.532 363 2HG1 VAL 44 2HG1 VAL 44 -4.535 1.124 -6.105 364 3HG1 VAL 44 3HG1 VAL 44 -5.816 0.064 -5.519 365 1HG2 VAL 44 1HG2 VAL 44 -4.030 -1.775 -8.236 366 2HG2 VAL 44 2HG2 VAL 44 -3.833 -1.311 -6.547 367 3HG2 VAL 44 3HG2 VAL 44 -3.204 -0.272 -7.826 368 H LYS 45 H LYS 45 -7.355 0.401 -9.444 369 HA LYS 45 HA LYS 45 -9.484 1.630 -7.958 370 1HB LYS 45 2HB LYS 45 -9.385 1.410 -10.972 371 2HB LYS 45 1HB LYS 45 -10.068 2.710 -9.995 372 1HG LYS 45 2HG LYS 45 -7.809 3.287 -9.179 373 2HG LYS 45 1HG LYS 45 -7.126 1.995 -10.163 374 1HD LYS 45 2HD LYS 45 -6.889 4.109 -11.351 375 2HD LYS 45 1HD LYS 45 -8.055 3.093 -12.197 376 1HE LYS 45 2HE LYS 45 -9.869 4.402 -11.552 377 2HE LYS 45 1HE LYS 45 -9.054 5.008 -10.111 378 1HZ LYS 45 1HZ LYS 45 -8.983 6.801 -11.535 379 2HZ LYS 45 2HZ LYS 45 -8.728 5.845 -12.916 380 3HZ LYS 45 3HZ LYS 45 -7.468 6.088 -11.804 381 H ALA 46 H ALA 46 -9.196 -1.358 -9.632 382 HA ALA 46 HA ALA 46 -12.045 -1.747 -10.118 383 1HB ALA 46 1HB ALA 46 -9.671 -3.628 -10.142 384 2HB ALA 46 2HB ALA 46 -10.479 -2.920 -11.540 385 3HB ALA 46 3HB ALA 46 -11.308 -4.127 -10.558 386 H LEU 47 H LEU 47 -9.730 -2.595 -7.585 387 HA LEU 47 HA LEU 47 -11.299 -4.477 -6.164 388 1HB LEU 47 2HB LEU 47 -9.106 -2.572 -5.436 389 2HB LEU 47 1HB LEU 47 -10.001 -3.339 -4.123 390 HG LEU 47 HG LEU 47 -8.975 -5.034 -6.388 391 1HD1 LEU 47 1HD1 LEU 47 -6.915 -5.395 -4.895 392 2HD1 LEU 47 2HD1 LEU 47 -7.368 -3.885 -4.102 393 3HD1 LEU 47 3HD1 LEU 47 -6.968 -3.894 -5.819 394 1HD2 LEU 47 1HD2 LEU 47 -8.844 -6.705 -4.552 395 2HD2 LEU 47 2HD2 LEU 47 -10.466 -6.031 -4.700 396 3HD2 LEU 47 3HD2 LEU 47 -9.396 -5.478 -3.412 397 H CYS 48 H CYS 48 -12.029 -1.248 -6.808 398 HA CYS 48 HA CYS 48 -14.141 -1.307 -4.710 399 1HB CYS 48 2HB CYS 48 -12.067 0.846 -5.109 400 2HB CYS 48 1HB CYS 48 -13.660 1.254 -4.472 401 H LYS 49 H LYS 49 -14.580 -1.930 -7.359 402 HA LYS 49 HA LYS 49 -15.562 0.545 -8.668 403 1HB LYS 49 2HB LYS 49 -15.874 -0.815 -10.629 404 2HB LYS 49 1HB LYS 49 -14.304 -1.239 -9.948 405 1HG LYS 49 2HG LYS 49 -15.527 -3.113 -8.692 406 2HG LYS 49 1HG LYS 49 -16.891 -2.791 -9.764 407 1HD LYS 49 2HD LYS 49 -15.216 -3.041 -11.700 408 2HD LYS 49 1HD LYS 49 -14.120 -3.740 -10.506 409 1HE LYS 49 2HE LYS 49 -16.760 -4.795 -11.491 410 2HE LYS 49 1HE LYS 49 -15.216 -5.636 -11.340 411 1HZ LYS 49 1HZ LYS 49 -15.468 -5.285 -8.874 412 2HZ LYS 49 2HZ LYS 49 -16.543 -6.396 -9.579 413 3HZ LYS 49 3HZ LYS 49 -17.073 -4.831 -9.180 414 H ASN 50 H ASN 50 -17.720 1.046 -8.781 415 HA ASN 50 HA ASN 50 -20.053 0.791 -8.593 416 1HB ASN 50 2HB ASN 50 -19.362 -1.689 -9.336 417 2HB ASN 50 1HB ASN 50 -19.839 -2.051 -7.678 418 1HD2 ASN 50 1HD2 ASN 50 -21.825 0.296 -7.794 419 2HD2 ASN 50 2HD2 ASN 50 -23.140 -0.320 -8.674 420 H ILE 51 H ILE 51 -17.796 0.644 -6.231 421 HA ILE 51 HA ILE 51 -19.288 -0.173 -3.923 422 HB ILE 51 HB ILE 51 -17.011 1.815 -4.177 423 1HG1 ILE 51 2HG1 ILE 51 -16.441 -0.438 -4.974 424 2HG1 ILE 51 1HG1 ILE 51 -15.622 -0.103 -3.452 425 1HG2 ILE 51 1HG2 ILE 51 -16.684 1.034 -1.712 426 2HG2 ILE 51 2HG2 ILE 51 -18.386 0.580 -1.803 427 3HG2 ILE 51 3HG2 ILE 51 -17.905 2.259 -2.057 428 1HD1 ILE 51 1HD1 ILE 51 -17.825 -1.232 -2.439 429 2HD1 ILE 51 2HD1 ILE 51 -16.462 -2.206 -2.983 430 3HD1 ILE 51 3HD1 ILE 51 -17.865 -1.995 -4.028 431 H ARG 52 H ARG 52 -19.743 1.580 -2.136 432 HA ARG 52 HA ARG 52 -21.541 3.589 -3.398 433 1HB ARG 52 2HB ARG 52 -22.380 1.929 -1.655 434 2HB ARG 52 1HB ARG 52 -21.404 2.806 -0.478 435 1HG ARG 52 2HG ARG 52 -23.361 3.994 -0.225 436 2HG ARG 52 1HG ARG 52 -22.687 4.905 -1.574 437 1HD ARG 52 2HD ARG 52 -24.566 2.544 -1.894 438 2HD ARG 52 1HD ARG 52 -25.084 4.228 -1.913 439 HE ARG 52 HE ARG 52 -23.161 4.232 -3.844 440 1HH1 ARG 52 1HH2 ARG 52 -25.801 2.133 -3.121 441 2HH1 ARG 52 2HH2 ARG 52 -26.062 1.677 -4.771 442 1HH2 ARG 52 1HH1 ARG 52 -23.489 3.649 -6.001 443 2HH2 ARG 52 2HH1 ARG 52 -24.754 2.535 -6.402 444 H ASP 53 H ASP 53 -21.079 4.556 -0.300 445 HA ASP 53 HA ASP 53 -19.158 6.678 -1.134 446 1HB ASP 53 2HB ASP 53 -20.884 6.574 1.347 447 2HB ASP 53 1HB ASP 53 -20.052 7.978 0.677 448 H ASN 54 H ASN 54 -18.690 7.297 1.681 449 HA ASN 54 HA ASN 54 -16.229 5.886 2.024 450 1HB ASN 54 2HB ASN 54 -17.823 7.382 4.124 451 2HB ASN 54 1HB ASN 54 -16.104 6.996 4.198 452 1HD2 ASN 54 1HD2 ASN 54 -18.491 9.125 2.711 453 2HD2 ASN 54 2HD2 ASN 54 -17.373 10.150 1.950 454 H THR 55 H THR 55 -16.242 3.716 2.342 455 HA THR 55 HA THR 55 -17.675 2.680 4.723 456 HB THR 55 HB THR 55 -17.796 0.925 2.320 457 HG1 THR 55 1HG THR 55 -19.608 3.070 2.661 458 1HG2 THR 55 1HG2 THR 55 -19.852 1.665 4.419 459 2HG2 THR 55 2HG2 THR 55 -18.707 0.334 4.576 460 3HG2 THR 55 3HG2 THR 55 -19.927 0.302 3.303 461 H ASP 56 H ASP 56 -16.796 0.542 5.372 462 HA ASP 56 HA ASP 56 -13.910 0.369 4.683 463 1HB ASP 56 2HB ASP 56 -15.442 -1.029 6.893 464 2HB ASP 56 1HB ASP 56 -13.689 -0.942 6.719 465 H VAL 57 H VAL 57 -13.255 -1.161 3.279 466 HA VAL 57 HA VAL 57 -14.948 -3.609 2.932 467 HB VAL 57 HB VAL 57 -13.856 -3.710 0.636 468 1HG1 VAL 57 1HG1 VAL 57 -15.628 -1.375 1.406 469 2HG1 VAL 57 2HG1 VAL 57 -16.137 -2.955 0.811 470 3HG1 VAL 57 3HG1 VAL 57 -15.303 -1.835 -0.266 471 1HG2 VAL 57 1HG2 VAL 57 -12.780 -1.731 -0.216 472 2HG2 VAL 57 2HG2 VAL 57 -11.992 -2.126 1.311 473 3HG2 VAL 57 3HG2 VAL 57 -13.175 -0.820 1.242 474 H LEU 58 H LEU 58 -13.385 -5.412 1.879 475 HA LEU 58 HA LEU 58 -10.674 -5.349 3.027 476 1HB LEU 58 2HB LEU 58 -11.929 -6.030 4.975 477 2HB LEU 58 1HB LEU 58 -12.851 -7.197 4.036 478 HG LEU 58 HG LEU 58 -10.876 -8.574 3.702 479 1HD1 LEU 58 1HD1 LEU 58 -8.751 -7.877 4.946 480 2HD1 LEU 58 2HD1 LEU 58 -9.464 -6.277 5.059 481 3HD1 LEU 58 3HD1 LEU 58 -9.114 -6.974 3.485 482 1HD2 LEU 58 1HD2 LEU 58 -10.341 -9.090 6.090 483 2HD2 LEU 58 2HD2 LEU 58 -12.072 -8.927 5.792 484 3HD2 LEU 58 3HD2 LEU 58 -11.181 -7.612 6.558 485 H SER 59 H SER 59 -9.296 -6.784 1.938 486 HA SER 59 HA SER 59 -10.058 -7.738 -0.602 487 1HB SER 59 2HB SER 59 -7.722 -7.939 1.110 488 2HB SER 59 1HB SER 59 -7.984 -9.441 0.228 489 HG SER 59 HG SER 59 -8.301 -7.953 -1.644 490 H ARG 60 H ARG 60 -10.588 -9.857 -1.367 491 HA ARG 60 HA ARG 60 -12.155 -11.404 0.599 492 1HB ARG 60 2HB ARG 60 -11.850 -11.702 -2.404 493 2HB ARG 60 1HB ARG 60 -12.962 -12.635 -1.401 494 1HG ARG 60 2HG ARG 60 -13.910 -10.390 -0.616 495 2HG ARG 60 1HG ARG 60 -12.996 -9.659 -1.937 496 1HD ARG 60 2HD ARG 60 -15.156 -10.075 -2.842 497 2HD ARG 60 1HD ARG 60 -14.142 -11.377 -3.465 498 HE ARG 60 HE ARG 60 -15.359 -12.198 -0.999 499 1HH1 ARG 60 1HH2 ARG 60 -15.998 -11.517 -4.317 500 2HH1 ARG 60 2HH2 ARG 60 -17.331 -12.619 -4.425 501 1HH2 ARG 60 1HH1 ARG 60 -17.096 -13.641 -1.119 502 2HH2 ARG 60 2HH1 ARG 60 -17.952 -13.820 -2.614 503 H ASP 61 H ASP 61 -9.013 -11.439 0.116 504 HA ASP 61 HA ASP 61 -8.723 -14.215 0.879 505 1HB ASP 61 2HB ASP 61 -7.232 -14.750 -1.157 506 2HB ASP 61 1HB ASP 61 -8.977 -14.774 -1.413 507 H ALA 62 H ALA 62 -6.288 -12.720 -1.136 508 HA ALA 62 HA ALA 62 -4.939 -11.470 1.144 509 1HB ALA 62 1HB ALA 62 -2.860 -12.918 0.727 510 2HB ALA 62 2HB ALA 62 -3.942 -14.028 -0.111 511 3HB ALA 62 3HB ALA 62 -4.189 -13.678 1.599 512 H PHE 63 H PHE 63 -2.780 -10.543 0.417 513 HA PHE 63 HA PHE 63 -2.493 -10.208 -2.502 514 1HB PHE 63 2HB PHE 63 -3.438 -8.060 -0.631 515 2HB PHE 63 1HB PHE 63 -2.352 -7.607 -1.944 516 HD1 PHE 63 1HD PHE 63 -5.628 -9.165 -1.147 517 HD2 PHE 63 2HD PHE 63 -3.082 -7.585 -4.226 518 HE1 PHE 63 1HE PHE 63 -7.523 -9.225 -2.746 519 HE2 PHE 63 2HE PHE 63 -4.978 -7.644 -5.824 520 HZ PHE 63 HZ PHE 63 -7.198 -8.465 -5.084 521 H LEU 64 H LEU 64 -0.361 -9.828 -3.039 522 HA LEU 64 HA LEU 64 1.612 -10.058 -0.897 523 1HB LEU 64 2HB LEU 64 1.702 -11.067 -3.294 524 2HB LEU 64 1HB LEU 64 2.231 -9.464 -3.793 525 HG LEU 64 HG LEU 64 3.623 -10.742 -1.458 526 1HD1 LEU 64 1HD1 LEU 64 3.633 -12.577 -3.017 527 2HD1 LEU 64 2HD1 LEU 64 5.215 -11.803 -3.113 528 3HD1 LEU 64 3HD1 LEU 64 4.009 -11.502 -4.364 529 1HD2 LEU 64 1HD2 LEU 64 5.555 -9.545 -2.494 530 2HD2 LEU 64 2HD2 LEU 64 4.218 -8.461 -2.121 531 3HD2 LEU 64 3HD2 LEU 64 4.487 -8.988 -3.780 532 H LEU 65 H LEU 65 2.164 -8.252 0.254 533 HA LEU 65 HA LEU 65 2.391 -5.688 -1.266 534 1HB LEU 65 2HB LEU 65 2.150 -5.107 1.506 535 2HB LEU 65 1HB LEU 65 1.009 -4.740 0.229 536 HG LEU 65 HG LEU 65 1.039 -7.484 1.441 537 1HD1 LEU 65 1HD1 LEU 65 -0.305 -4.984 2.513 538 2HD1 LEU 65 2HD1 LEU 65 0.911 -5.960 3.337 539 3HD1 LEU 65 3HD1 LEU 65 -0.695 -6.624 3.034 540 1HD2 LEU 65 1HD2 LEU 65 -1.100 -5.702 0.216 541 2HD2 LEU 65 2HD2 LEU 65 -1.343 -7.359 0.761 542 3HD2 LEU 65 3HD2 LEU 65 -0.289 -7.028 -0.611 543 HA PRO 66 HA PRO 66 6.631 -5.873 0.175 544 1HB PRO 66 2HB PRO 66 7.401 -3.375 -0.624 545 2HB PRO 66 1HB PRO 66 7.211 -4.729 -1.752 546 1HG PRO 66 2HG PRO 66 5.398 -2.443 -1.226 547 2HG PRO 66 1HG PRO 66 5.741 -3.281 -2.745 548 1HD PRO 66 2HD PRO 66 3.467 -3.691 -1.229 549 2HD PRO 66 1HD PRO 66 4.135 -4.875 -2.375 550 H GLN 67 H GLN 67 7.864 -4.902 1.971 551 HA GLN 67 HA GLN 67 6.495 -2.718 3.444 552 1HB GLN 67 2HB GLN 67 5.672 -5.031 4.223 553 2HB GLN 67 1HB GLN 67 7.291 -5.246 4.890 554 1HG GLN 67 2HG GLN 67 7.019 -3.157 6.195 555 2HG GLN 67 1HG GLN 67 5.386 -2.980 5.552 556 1HE2 GLN 67 1HE2 GLN 67 3.732 -4.046 6.681 557 2HE2 GLN 67 2HE2 GLN 67 3.989 -5.212 7.886 558 H CYS 68 H CYS 68 7.945 -1.329 4.311 559 HA CYS 68 HA CYS 68 10.821 -2.053 4.168 560 1HB CYS 68 2HB CYS 68 9.610 0.596 4.997 561 2HB CYS 68 1HB CYS 68 11.256 0.294 4.442 562 H ASP 69 H ASP 69 11.834 -2.812 5.970 563 HA ASP 69 HA ASP 69 10.680 -2.074 8.643 564 1HB ASP 69 2HB ASP 69 10.417 -4.498 7.951 565 2HB ASP 69 1HB ASP 69 12.176 -4.623 7.985 566 H ARG 70 H ARG 70 12.051 -0.609 9.548 567 HA ARG 70 HA ARG 70 14.871 -0.478 8.864 568 1HB ARG 70 2HB ARG 70 13.567 1.522 9.530 569 2HB ARG 70 1HB ARG 70 13.357 0.837 11.140 570 1HG ARG 70 2HG ARG 70 16.169 0.916 10.225 571 2HG ARG 70 1HG ARG 70 15.428 2.504 10.410 572 1HD ARG 70 2HD ARG 70 14.790 1.988 12.707 573 2HD ARG 70 1HD ARG 70 15.400 0.343 12.538 574 HE ARG 70 HE ARG 70 17.412 2.393 11.999 575 1HH1 ARG 70 1HH2 ARG 70 15.786 0.443 14.331 576 2HH1 ARG 70 2HH2 ARG 70 17.083 0.498 15.478 577 1HH2 ARG 70 1HH1 ARG 70 19.116 2.478 13.484 578 2HH2 ARG 70 2HH1 ARG 70 18.968 1.651 14.998 579 H ILE 71 H ILE 71 16.644 -0.910 10.339 580 HA ILE 71 HA ILE 71 16.227 -2.172 12.899 581 HB ILE 71 HB ILE 71 15.461 -4.014 11.405 582 1HG1 ILE 71 2HG1 ILE 71 18.145 -4.617 12.683 583 2HG1 ILE 71 1HG1 ILE 71 16.648 -4.425 13.596 584 1HG2 ILE 71 1HG2 ILE 71 16.944 -5.035 9.833 585 2HG2 ILE 71 2HG2 ILE 71 18.323 -4.111 10.429 586 3HG2 ILE 71 3HG2 ILE 71 17.043 -3.300 9.527 587 1HD1 ILE 71 1HD1 ILE 71 16.937 -6.784 13.207 588 2HD1 ILE 71 2HD1 ILE 71 17.258 -6.516 11.493 589 3HD1 ILE 71 3HD1 ILE 71 15.641 -6.237 12.142 590 H LYS 72 H LYS 72 18.358 -1.734 10.096 591 HA LYS 72 HA LYS 72 20.632 -1.359 12.012 592 1HB LYS 72 2HB LYS 72 22.129 -2.355 10.337 593 2HB LYS 72 1HB LYS 72 20.867 -3.501 10.790 594 1HG LYS 72 2HG LYS 72 19.550 -2.623 8.778 595 2HG LYS 72 1HG LYS 72 21.046 -1.836 8.274 596 1HD LYS 72 2HD LYS 72 22.164 -4.121 8.487 597 2HD LYS 72 1HD LYS 72 20.540 -4.797 8.632 598 1HE LYS 72 2HE LYS 72 21.053 -4.944 6.316 599 2HE LYS 72 1HE LYS 72 20.001 -3.536 6.457 600 1HZ LYS 72 1HZ LYS 72 22.878 -3.113 6.734 601 2HZ LYS 72 2HZ LYS 72 21.694 -2.105 6.052 602 3HZ LYS 72 3HZ LYS 72 22.285 -3.438 5.179 603 H LEU 73 H LEU 73 22.481 -0.142 10.790 604 HA LEU 73 HA LEU 73 23.135 1.914 9.885 605 1HB LEU 73 2HB LEU 73 21.578 0.437 7.922 606 2HB LEU 73 1HB LEU 73 21.391 2.167 7.666 607 HG LEU 73 HG LEU 73 23.973 2.273 7.883 608 1HD1 LEU 73 1HD1 LEU 73 24.107 -0.082 8.787 609 2HD1 LEU 73 2HD1 LEU 73 25.174 0.236 7.419 610 3HD1 LEU 73 3HD1 LEU 73 23.671 -0.655 7.177 611 1HD2 LEU 73 1HD2 LEU 73 22.659 0.864 5.538 612 2HD2 LEU 73 2HD2 LEU 73 24.242 1.639 5.491 613 3HD2 LEU 73 3HD2 LEU 73 22.793 2.608 5.757 614 HA PRO 74 HA PRO 74 20.156 5.004 11.035 615 1HB PRO 74 2HB PRO 74 20.875 7.180 9.619 616 2HB PRO 74 1HB PRO 74 21.962 6.454 10.821 617 1HG PRO 74 2HG PRO 74 22.030 6.271 7.855 618 2HG PRO 74 1HG PRO 74 23.367 6.352 9.014 619 1HD PRO 74 2HD PRO 74 22.402 4.008 7.806 620 2HD PRO 74 1HD PRO 74 23.440 4.074 9.245 621 H CYS 75 H CYS 75 20.474 5.094 7.467 622 HA CYS 75 HA CYS 75 17.498 5.433 7.315 623 1HB CYS 75 2HB CYS 75 18.946 7.426 6.610 624 2HB CYS 75 1HB CYS 75 19.471 6.428 5.253 625 H HIS 76 H HIS 76 18.129 2.901 7.418 626 HA HIS 76 HA HIS 76 18.065 1.974 4.575 627 1HB HIS 76 2HB HIS 76 20.321 1.563 5.621 628 2HB HIS 76 1HB HIS 76 19.520 0.553 6.823 629 HD1 HIS 76 1HD HIS 76 18.411 -1.676 5.971 630 HD2 HIS 76 2HD HIS 76 20.592 0.378 3.068 631 HE1 HIS 76 1HE HIS 76 18.733 -3.288 4.043 632 HE2 HIS 76 2HE HIS 76 20.059 -2.048 2.270 633 H TYR 77 H TYR 77 16.821 0.008 4.283 634 HA TYR 77 HA TYR 77 15.212 -0.838 6.650 635 1HB TYR 77 2HB TYR 77 13.906 -0.471 3.963 636 2HB TYR 77 1HB TYR 77 13.157 -0.547 5.559 637 HD1 TYR 77 1HD TYR 77 13.586 1.352 7.202 638 HD2 TYR 77 2HD TYR 77 14.576 1.603 3.030 639 HE1 TYR 77 1HE TYR 77 13.692 3.824 7.376 640 HE2 TYR 77 2HE TYR 77 14.682 4.074 3.204 641 HH TYR 77 HH TYR 77 13.961 5.731 6.277 642 H LYS 78 H LYS 78 14.028 -2.913 6.188 643 HA LYS 78 HA LYS 78 15.717 -4.666 4.453 644 1HB LYS 78 2HB LYS 78 15.483 -5.116 6.976 645 2HB LYS 78 1HB LYS 78 13.818 -5.574 6.623 646 1HG LYS 78 2HG LYS 78 14.865 -7.639 6.426 647 2HG LYS 78 1HG LYS 78 14.961 -7.076 4.758 648 1HD LYS 78 2HD LYS 78 17.242 -6.261 5.135 649 2HD LYS 78 1HD LYS 78 17.150 -6.733 6.832 650 1HE LYS 78 2HE LYS 78 17.024 -9.059 6.271 651 2HE LYS 78 1HE LYS 78 16.769 -8.698 4.563 652 1HZ LYS 78 1HZ LYS 78 19.131 -9.317 5.512 653 2HZ LYS 78 2HZ LYS 78 19.185 -7.648 5.827 654 3HZ LYS 78 3HZ LYS 78 18.945 -8.208 4.242 655 H LEU 79 H LEU 79 14.676 -6.085 2.993 656 HA LEU 79 HA LEU 79 12.040 -5.168 2.087 657 1HB LEU 79 2HB LEU 79 14.137 -5.939 0.664 658 2HB LEU 79 1HB LEU 79 13.456 -7.544 0.913 659 HG LEU 79 HG LEU 79 12.575 -6.673 -1.164 660 1HD1 LEU 79 1HD1 LEU 79 11.040 -7.875 0.490 661 2HD1 LEU 79 2HD1 LEU 79 10.243 -6.921 -0.761 662 3HD1 LEU 79 3HD1 LEU 79 10.381 -6.285 0.878 663 1HD2 LEU 79 1HD2 LEU 79 11.176 -4.376 0.132 664 2HD2 LEU 79 2HD2 LEU 79 11.830 -4.522 -1.498 665 3HD2 LEU 79 3HD2 LEU 79 12.909 -4.192 -0.145 666 H SER 80 H SER 80 10.256 -5.984 3.054 667 HA SER 80 HA SER 80 10.165 -8.914 3.621 668 1HB SER 80 2HB SER 80 10.493 -8.075 5.801 669 2HB SER 80 1HB SER 80 9.534 -6.631 5.488 670 HG SER 80 HG SER 80 8.691 -9.294 5.910 671 H SER 81 H SER 81 8.466 -9.738 2.505 672 HA SER 81 HA SER 81 5.987 -8.091 2.265 673 1HB SER 81 2HB SER 81 7.522 -8.030 0.178 674 2HB SER 81 1HB SER 81 7.040 -9.706 -0.056 675 HG SER 81 HG SER 81 4.942 -8.055 0.513 676 H SER 82 H SER 82 4.069 -9.391 1.835 677 HA SER 82 HA SER 82 4.239 -12.299 1.862 678 1HB SER 82 2HB SER 82 2.923 -12.454 4.052 679 2HB SER 82 1HB SER 82 4.631 -12.059 4.208 680 HG SER 82 HG SER 82 4.020 -10.281 5.125 681 H THR 83 H THR 83 2.010 -13.257 1.883 682 HA THR 83 HA THR 83 0.145 -11.388 0.539 683 HB THR 83 HB THR 83 -0.834 -13.914 0.157 684 HG1 THR 83 1HG THR 83 1.051 -14.687 1.293 685 1HG2 THR 83 1HG2 THR 83 1.255 -12.375 -1.389 686 2HG2 THR 83 2HG2 THR 83 -0.491 -12.347 -1.637 687 3HG2 THR 83 3HG2 THR 83 0.433 -13.796 -2.030 688 H ASN 84 H ASN 84 -1.518 -10.658 1.757 689 HA ASN 84 HA ASN 84 -3.044 -12.508 3.436 690 1HB ASN 84 2HB ASN 84 -1.258 -11.926 5.001 691 2HB ASN 84 1HB ASN 84 -1.518 -10.208 4.695 692 1HD2 ASN 84 1HD2 ASN 84 -2.024 -9.995 7.058 693 2HD2 ASN 84 2HD2 ASN 84 -3.557 -10.449 7.627 694 H THR 85 H THR 85 -5.088 -11.553 4.111 695 HA THR 85 HA THR 85 -6.163 -9.662 2.253 696 HB THR 85 HB THR 85 -7.629 -9.860 4.786 697 HG1 THR 85 1HG THR 85 -7.176 -12.290 3.447 698 1HG2 THR 85 1HG2 THR 85 -9.349 -10.797 3.273 699 2HG2 THR 85 2HG2 THR 85 -8.159 -10.850 1.973 700 3HG2 THR 85 3HG2 THR 85 -8.669 -9.298 2.640 701 H ILE 86 H ILE 86 -6.961 -7.458 2.786 702 HA ILE 86 HA ILE 86 -5.760 -6.216 5.176 703 HB ILE 86 HB ILE 86 -4.118 -5.113 4.073 704 1HG1 ILE 86 2HG1 ILE 86 -4.573 -3.886 1.889 705 2HG1 ILE 86 1HG1 ILE 86 -6.248 -4.404 2.035 706 1HG2 ILE 86 1HG2 ILE 86 -3.534 -5.913 1.777 707 2HG2 ILE 86 2HG2 ILE 86 -5.059 -6.792 1.730 708 3HG2 ILE 86 3HG2 ILE 86 -3.825 -7.225 2.916 709 1HD1 ILE 86 1HD1 ILE 86 -6.505 -2.502 3.243 710 2HD1 ILE 86 2HD1 ILE 86 -4.780 -2.340 3.524 711 3HD1 ILE 86 3HD1 ILE 86 -5.741 -3.399 4.551 712 H CYS 87 H CYS 87 -7.141 -4.718 6.026 713 HA CYS 87 HA CYS 87 -9.687 -4.233 4.663 714 1HB CYS 87 2HB CYS 87 -8.571 -3.811 7.389 715 2HB CYS 87 1HB CYS 87 -9.852 -2.707 6.886 716 H ILE 88 H ILE 88 -10.227 -2.434 3.575 717 HA ILE 88 HA ILE 88 -8.597 0.030 3.918 718 HB ILE 88 HB ILE 88 -7.452 -0.490 2.011 719 1HG1 ILE 88 2HG1 ILE 88 -10.106 -0.073 0.605 720 2HG1 ILE 88 1HG1 ILE 88 -9.139 1.247 1.262 721 1HG2 ILE 88 1HG2 ILE 88 -8.077 -2.258 0.470 722 2HG2 ILE 88 2HG2 ILE 88 -9.698 -2.331 1.154 723 3HG2 ILE 88 3HG2 ILE 88 -8.314 -2.839 2.115 724 1HD1 ILE 88 1HD1 ILE 88 -7.500 -0.531 -0.352 725 2HD1 ILE 88 2HD1 ILE 88 -7.751 1.206 -0.512 726 3HD1 ILE 88 3HD1 ILE 88 -8.874 0.078 -1.273 727 H THR 89 H THR 89 -9.762 1.958 3.224 728 HA THR 89 HA THR 89 -12.708 1.457 2.987 729 HB THR 89 HB THR 89 -11.093 3.415 4.506 730 HG1 THR 89 1HG THR 89 -12.720 1.676 5.116 731 1HG2 THR 89 1HG2 THR 89 -12.006 5.017 2.953 732 2HG2 THR 89 2HG2 THR 89 -12.988 5.098 4.413 733 3HG2 THR 89 3HG2 THR 89 -13.587 4.237 2.997 734 H CYS 90 H CYS 90 -13.817 2.341 1.295 735 HA CYS 90 HA CYS 90 -12.258 3.984 -0.672 736 1HB CYS 90 2HB CYS 90 -14.181 1.693 -1.115 737 2HB CYS 90 1HB CYS 90 -13.820 2.858 -2.388 738 H VAL 91 H VAL 91 -13.986 5.034 -2.269 739 HA VAL 91 HA VAL 91 -16.381 5.939 -0.755 740 HB VAL 91 HB VAL 91 -14.500 7.823 -2.191 741 1HG1 VAL 91 1HG1 VAL 91 -16.622 8.488 -0.148 742 2HG1 VAL 91 2HG1 VAL 91 -17.024 8.340 -1.857 743 3HG1 VAL 91 3HG1 VAL 91 -15.862 9.555 -1.328 744 1HG2 VAL 91 1HG2 VAL 91 -13.841 8.549 0.092 745 2HG2 VAL 91 2HG2 VAL 91 -13.382 6.877 -0.230 746 3HG2 VAL 91 3HG2 VAL 91 -14.793 7.227 0.767 747 H ASN 92 H ASN 92 -15.768 7.870 -3.390 748 HA ASN 92 HA ASN 92 -17.950 6.770 -4.921 749 1HB ASN 92 2HB ASN 92 -15.857 8.877 -5.492 750 2HB ASN 92 1HB ASN 92 -17.065 8.413 -6.690 751 1HD2 ASN 92 1HD2 ASN 92 -16.730 9.731 -3.373 752 2HD2 ASN 92 2HD2 ASN 92 -18.244 10.497 -3.356 753 H GLN 93 H GLN 93 -15.944 4.811 -4.426 754 HA GLN 93 HA GLN 93 -15.012 3.024 -5.620 755 1HB GLN 93 2HB GLN 93 -15.453 4.513 -8.210 756 2HB GLN 93 1HB GLN 93 -15.389 2.777 -7.937 757 1HG GLN 93 2HG GLN 93 -17.644 2.775 -7.792 758 2HG GLN 93 1HG GLN 93 -17.501 3.698 -6.299 759 1HE2 GLN 93 1HE2 GLN 93 -16.838 4.676 -9.709 760 2HE2 GLN 93 2HE2 GLN 93 -17.921 5.982 -9.698 761 H LEU 94 H LEU 94 -13.362 4.772 -4.460 762 HA LEU 94 HA LEU 94 -11.048 4.828 -6.305 763 1HB LEU 94 2HB LEU 94 -12.446 7.228 -5.213 764 2HB LEU 94 1HB LEU 94 -10.685 7.263 -5.187 765 HG LEU 94 HG LEU 94 -12.084 6.418 -7.710 766 1HD1 LEU 94 1HD1 LEU 94 -11.723 9.261 -6.735 767 2HD1 LEU 94 2HD1 LEU 94 -13.240 8.471 -7.165 768 3HD1 LEU 94 3HD1 LEU 94 -12.048 8.833 -8.414 769 1HD2 LEU 94 1HD2 LEU 94 -9.634 8.139 -7.376 770 2HD2 LEU 94 2HD2 LEU 94 -10.083 7.121 -8.744 771 3HD2 LEU 94 3HD2 LEU 94 -9.535 6.384 -7.238 772 HA PRO 95 HA PRO 95 -9.847 3.110 -2.197 773 1HB PRO 95 2HB PRO 95 -7.313 2.841 -3.768 774 2HB PRO 95 1HB PRO 95 -8.128 1.652 -2.737 775 1HG PRO 95 2HG PRO 95 -8.243 1.471 -5.380 776 2HG PRO 95 1HG PRO 95 -9.646 1.073 -4.370 777 1HD PRO 95 2HD PRO 95 -9.170 3.495 -6.062 778 2HD PRO 95 1HD PRO 95 -10.695 2.659 -5.686 779 H ILE 96 H ILE 96 -9.289 4.596 -0.603 780 HA ILE 96 HA ILE 96 -6.931 6.333 -1.133 781 HB ILE 96 HB ILE 96 -8.117 8.270 -0.123 782 1HG1 ILE 96 2HG1 ILE 96 -10.771 7.873 -0.351 783 2HG1 ILE 96 1HG1 ILE 96 -10.304 6.217 0.020 784 1HG2 ILE 96 1HG2 ILE 96 -9.908 7.535 -2.373 785 2HG2 ILE 96 2HG2 ILE 96 -8.185 7.430 -2.711 786 3HG2 ILE 96 3HG2 ILE 96 -8.881 8.950 -2.166 787 1HD1 ILE 96 1HD1 ILE 96 -8.868 7.666 1.891 788 2HD1 ILE 96 2HD1 ILE 96 -10.411 6.871 2.183 789 3HD1 ILE 96 3HD1 ILE 96 -10.369 8.580 1.760 790 H HIS 97 H HIS 97 -8.759 4.405 1.142 791 HA HIS 97 HA HIS 97 -6.910 5.400 3.293 792 1HB HIS 97 2HB HIS 97 -9.792 4.644 3.303 793 2HB HIS 97 1HB HIS 97 -8.853 4.268 4.744 794 HD1 HIS 97 1HD HIS 97 -7.013 6.980 4.052 795 HD2 HIS 97 2HD HIS 97 -11.095 6.723 4.874 796 HE1 HIS 97 1HE HIS 97 -7.726 9.270 4.866 797 HE2 HIS 97 2HE HIS 97 -10.208 9.125 5.369 798 H PHE 98 H PHE 98 -5.680 3.943 4.344 799 HA PHE 98 HA PHE 98 -5.937 1.058 3.562 800 1HB PHE 98 2HB PHE 98 -3.784 2.312 2.999 801 2HB PHE 98 1HB PHE 98 -3.515 2.474 4.731 802 HD1 PHE 98 1HD PHE 98 -3.182 0.336 1.862 803 HD2 PHE 98 2HD PHE 98 -3.451 0.327 6.149 804 HE1 PHE 98 1HE PHE 98 -2.187 -1.933 1.921 805 HE2 PHE 98 2HE PHE 98 -2.458 -1.945 6.205 806 HZ PHE 98 HZ PHE 98 -1.825 -3.075 4.091 807 H ALA 99 H ALA 99 -7.274 0.278 5.198 808 HA ALA 99 HA ALA 99 -7.351 1.187 7.874 809 1HB ALA 99 1HB ALA 99 -8.786 -0.589 8.269 810 2HB ALA 99 2HB ALA 99 -7.836 -1.706 7.295 811 3HB ALA 99 3HB ALA 99 -8.870 -0.513 6.510 812 H GLY 100 H GLY 100 -6.024 -2.025 7.007 813 1HA GLY 100 2HA GLY 100 -3.467 -1.534 8.246 814 2HA GLY 100 1HA GLY 100 -4.537 -2.395 9.352 815 H VAL 101 H VAL 101 -2.804 -4.106 9.057 816 HA VAL 101 HA VAL 101 -2.972 -5.558 6.474 817 HB VAL 101 HB VAL 101 -1.284 -6.102 8.937 818 1HG1 VAL 101 1HG1 VAL 101 -1.293 -7.269 6.140 819 2HG1 VAL 101 2HG1 VAL 101 -1.587 -8.127 7.652 820 3HG1 VAL 101 3HG1 VAL 101 0.022 -7.502 7.293 821 1HG2 VAL 101 1HG2 VAL 101 -0.729 -3.961 7.836 822 2HG2 VAL 101 2HG2 VAL 101 -0.595 -4.791 6.286 823 3HG2 VAL 101 3HG2 VAL 101 0.550 -5.148 7.579 824 H GLY 102 H GLY 102 -4.030 -7.509 6.269 825 1HA GLY 102 2HA GLY 102 -5.124 -9.501 6.980 826 2HA GLY 102 1HA GLY 102 -4.866 -9.015 8.655 827 H SER 103 H SER 103 -7.130 -9.538 9.069 828 HA SER 103 HA SER 103 -9.169 -7.887 7.716 829 1HB SER 103 2HB SER 103 -10.778 -9.182 8.996 830 2HB SER 103 1HB SER 103 -9.592 -10.287 8.306 831 HG SER 103 HG SER 103 -8.682 -10.545 10.261 832 H CYS 104 H CYS 104 -10.351 -6.244 8.752 833 HA CYS 104 HA CYS 104 -9.000 -5.018 11.064 834 1HB CYS 104 2HB CYS 104 -10.876 -3.254 10.653 835 2HB CYS 104 1HB CYS 104 -9.601 -3.413 9.446 836 HA PRO 105 HA PRO 105 -11.847 -6.597 14.064 837 1HB PRO 105 2HB PRO 105 -11.858 -4.551 15.895 838 2HB PRO 105 1HB PRO 105 -10.504 -5.682 15.702 839 1HG PRO 105 2HG PRO 105 -10.814 -2.907 14.659 840 2HG PRO 105 1HG PRO 105 -9.386 -3.702 15.346 841 1HD PRO 105 2HD PRO 105 -9.730 -3.382 12.657 842 2HD PRO 105 1HD PRO 105 -8.841 -4.754 13.353 Start of MODEL 19 1 HN PCA 1 H PCA 1 -6.674 9.137 1.169 2 HA PCA 1 HA PCA 1 -7.564 11.514 1.845 3 1HB PCA 1 1HB PCA 1 -5.895 12.908 2.494 4 2HB PCA 1 2HB PCA 1 -5.073 12.696 0.967 5 1HG PCA 1 1HG PCA 1 -4.777 11.366 3.473 6 2HG PCA 1 2HG PCA 1 -3.678 11.467 2.080 7 H ASP 2 H ASP 2 -6.219 9.790 -0.686 8 HA ASP 2 HA ASP 2 -7.943 10.916 -2.635 9 1HB ASP 2 2HB ASP 2 -5.324 12.275 -2.288 10 2HB ASP 2 1HB ASP 2 -5.737 11.862 -3.951 11 H TRP 3 H TRP 3 -7.997 9.470 -4.343 12 HA TRP 3 HA TRP 3 -6.591 7.025 -4.163 13 1HB TRP 3 2HB TRP 3 -8.538 6.906 -5.437 14 2HB TRP 3 1HB TRP 3 -8.169 8.380 -6.323 15 HD1 TRP 3 HD TRP 3 -8.023 7.657 -8.737 16 HE1 TRP 3 1HE TRP 3 -6.710 5.881 -10.060 17 HE3 TRP 3 3HE TRP 3 -5.860 5.069 -4.879 18 HZ2 TRP 3 2HZ TRP 3 -4.989 3.665 -9.563 19 HZ3 TRP 3 3HZ TRP 3 -4.395 3.133 -5.345 20 HH2 TRP 3 HH TRP 3 -3.955 2.428 -7.680 21 H GLU 4 H GLU 4 -5.746 10.033 -5.767 22 HA GLU 4 HA GLU 4 -3.616 9.011 -7.394 23 1HB GLU 4 2HB GLU 4 -4.125 11.732 -6.164 24 2HB GLU 4 1HB GLU 4 -2.741 11.407 -7.208 25 1HG GLU 4 2HG GLU 4 -4.642 12.330 -8.497 26 2HG GLU 4 1HG GLU 4 -4.253 10.688 -9.011 27 H THR 5 H THR 5 -3.072 11.036 -4.483 28 HA THR 5 HA THR 5 -0.446 10.166 -4.023 29 HB THR 5 HB THR 5 -1.456 12.017 -2.772 30 HG1 THR 5 1HG THR 5 0.301 10.759 -1.885 31 1HG2 THR 5 1HG2 THR 5 -2.911 10.026 -1.053 32 2HG2 THR 5 2HG2 THR 5 -3.674 10.663 -2.509 33 3HG2 THR 5 3HG2 THR 5 -3.191 11.759 -1.216 34 H PHE 6 H PHE 6 -3.455 8.809 -2.632 35 HA PHE 6 HA PHE 6 -2.335 6.703 -1.163 36 1HB PHE 6 2HB PHE 6 -4.801 7.342 -1.393 37 2HB PHE 6 1HB PHE 6 -4.806 6.396 -2.880 38 HD1 PHE 6 1HD PHE 6 -5.031 4.046 -2.815 39 HD2 PHE 6 2HD PHE 6 -4.015 6.194 0.763 40 HE1 PHE 6 1HE PHE 6 -5.307 1.969 -1.492 41 HE2 PHE 6 2HE PHE 6 -4.289 4.118 2.085 42 HZ PHE 6 HZ PHE 6 -4.936 2.003 0.960 43 H GLN 7 H GLN 7 -2.444 7.189 -4.588 44 HA GLN 7 HA GLN 7 -1.776 4.367 -5.165 45 1HB GLN 7 2HB GLN 7 -3.257 5.625 -6.720 46 2HB GLN 7 1HB GLN 7 -1.946 6.758 -7.029 47 1HG GLN 7 2HG GLN 7 -0.559 4.961 -7.930 48 2HG GLN 7 1HG GLN 7 -1.817 3.781 -7.561 49 1HE2 GLN 7 1HE2 GLN 7 -2.052 7.068 -9.021 50 2HE2 GLN 7 2HE2 GLN 7 -2.834 6.545 -10.436 51 H LYS 8 H LYS 8 -0.228 7.376 -4.519 52 HA LYS 8 HA LYS 8 2.287 6.589 -5.850 53 1HB LYS 8 2HB LYS 8 1.745 8.979 -4.075 54 2HB LYS 8 1HB LYS 8 3.088 8.773 -5.198 55 1HG LYS 8 2HG LYS 8 0.269 8.584 -6.232 56 2HG LYS 8 1HG LYS 8 0.969 10.170 -5.928 57 1HD LYS 8 2HD LYS 8 2.904 9.563 -7.376 58 2HD LYS 8 1HD LYS 8 2.125 8.020 -7.727 59 1HE LYS 8 2HE LYS 8 1.284 10.791 -8.548 60 2HE LYS 8 1HE LYS 8 1.449 9.343 -9.541 61 1HZ LYS 8 1HZ LYS 8 -0.831 9.596 -9.262 62 2HZ LYS 8 2HZ LYS 8 -0.693 10.026 -7.624 63 3HZ LYS 8 3HZ LYS 8 -0.424 8.420 -8.110 64 H LYS 9 H LYS 9 1.293 7.323 -2.462 65 HA LYS 9 HA LYS 9 3.854 6.211 -1.519 66 1HB LYS 9 2HB LYS 9 2.880 6.843 0.757 67 2HB LYS 9 1HB LYS 9 3.185 8.166 -0.366 68 1HG LYS 9 2HG LYS 9 0.901 8.434 -0.868 69 2HG LYS 9 1HG LYS 9 0.488 6.825 -0.275 70 1HD LYS 9 2HD LYS 9 0.725 7.474 1.993 71 2HD LYS 9 1HD LYS 9 1.603 8.943 1.566 72 1HE LYS 9 2HE LYS 9 -0.886 9.185 2.234 73 2HE LYS 9 1HE LYS 9 -0.344 10.021 0.780 74 1HZ LYS 9 1HZ LYS 9 -2.389 8.189 0.971 75 2HZ LYS 9 2HZ LYS 9 -1.129 7.360 0.187 76 3HZ LYS 9 3HZ LYS 9 -1.716 8.821 -0.453 77 H HIS 10 H HIS 10 0.401 5.282 -1.350 78 HA HIS 10 HA HIS 10 1.087 2.979 0.353 79 1HB HIS 10 2HB HIS 10 -1.462 4.096 -0.766 80 2HB HIS 10 1HB HIS 10 -1.432 2.446 -0.149 81 HD1 HIS 10 1HD HIS 10 -0.439 2.226 2.395 82 HD2 HIS 10 2HD HIS 10 -1.723 6.017 1.218 83 HE1 HIS 10 1HE HIS 10 -0.757 3.569 4.521 84 HE2 HIS 10 2HE HIS 10 -1.539 5.876 3.816 85 H LEU 11 H LEU 11 1.162 3.535 -3.005 86 HA LEU 11 HA LEU 11 1.044 0.565 -3.458 87 1HB LEU 11 2HB LEU 11 -0.377 2.757 -4.811 88 2HB LEU 11 1HB LEU 11 0.456 1.680 -5.923 89 HG LEU 11 HG LEU 11 -0.641 -0.249 -4.654 90 1HD1 LEU 11 1HD1 LEU 11 -2.773 0.423 -3.489 91 2HD1 LEU 11 2HD1 LEU 11 -2.233 2.098 -3.576 92 3HD1 LEU 11 3HD1 LEU 11 -1.314 0.923 -2.643 93 1HD2 LEU 11 1HD2 LEU 11 -2.889 0.219 -5.782 94 2HD2 LEU 11 2HD2 LEU 11 -1.466 0.278 -6.821 95 3HD2 LEU 11 3HD2 LEU 11 -2.209 1.776 -6.255 96 H THR 12 H THR 12 2.448 -0.234 -5.123 97 HA THR 12 HA THR 12 4.504 1.677 -6.121 98 HB THR 12 HB THR 12 5.568 0.803 -4.146 99 HG1 THR 12 1HG THR 12 6.721 -0.955 -5.899 100 1HG2 THR 12 1HG2 THR 12 5.684 -2.008 -4.749 101 2HG2 THR 12 2HG2 THR 12 3.997 -1.505 -4.675 102 3HG2 THR 12 3HG2 THR 12 5.063 -1.221 -3.302 103 H ASP 13 H ASP 13 6.143 -0.055 -7.470 104 HA ASP 13 HA ASP 13 4.232 -1.496 -9.279 105 1HB ASP 13 2HB ASP 13 5.862 -0.941 -11.105 106 2HB ASP 13 1HB ASP 13 5.086 0.474 -10.392 107 H THR 14 H THR 14 6.133 -2.437 -6.956 108 HA THR 14 HA THR 14 6.977 -4.840 -8.412 109 HB THR 14 HB THR 14 8.864 -3.278 -8.823 110 HG1 THR 14 1HG THR 14 10.387 -4.741 -8.233 111 1HG2 THR 14 1HG2 THR 14 8.521 -1.968 -6.713 112 2HG2 THR 14 2HG2 THR 14 10.195 -2.455 -6.973 113 3HG2 THR 14 3HG2 THR 14 9.193 -3.328 -5.814 114 H LYS 15 H LYS 15 7.481 -6.580 -6.993 115 HA LYS 15 HA LYS 15 6.224 -6.405 -4.383 116 1HB LYS 15 2HB LYS 15 7.345 -8.777 -4.201 117 2HB LYS 15 1HB LYS 15 6.023 -8.534 -5.344 118 1HG LYS 15 2HG LYS 15 7.494 -8.391 -7.196 119 2HG LYS 15 1HG LYS 15 8.901 -8.137 -6.165 120 1HD LYS 15 2HD LYS 15 8.849 -10.445 -7.048 121 2HD LYS 15 1HD LYS 15 8.691 -10.429 -5.291 122 1HE LYS 15 2HE LYS 15 7.064 -11.947 -6.569 123 2HE LYS 15 1HE LYS 15 6.352 -10.845 -5.391 124 1HZ LYS 15 1HZ LYS 15 5.339 -10.978 -7.731 125 2HZ LYS 15 2HZ LYS 15 6.665 -10.027 -8.205 126 3HZ LYS 15 3HZ LYS 15 5.574 -9.448 -7.037 127 H LYS 16 H LYS 16 9.393 -5.860 -5.598 128 HA LYS 16 HA LYS 16 10.480 -5.813 -2.805 129 1HB LYS 16 2HB LYS 16 11.982 -6.237 -5.407 130 2HB LYS 16 1HB LYS 16 12.692 -6.228 -3.793 131 1HG LYS 16 2HG LYS 16 11.714 -8.266 -3.199 132 2HG LYS 16 1HG LYS 16 10.427 -8.113 -4.394 133 1HD LYS 16 2HD LYS 16 11.997 -9.807 -5.151 134 2HD LYS 16 1HD LYS 16 12.136 -8.396 -6.201 135 1HE LYS 16 2HE LYS 16 14.150 -7.683 -5.147 136 2HE LYS 16 1HE LYS 16 13.919 -8.788 -3.791 137 1HZ LYS 16 1HZ LYS 16 14.738 -9.393 -6.555 138 2HZ LYS 16 2HZ LYS 16 13.991 -10.588 -5.607 139 3HZ LYS 16 3HZ LYS 16 15.451 -9.885 -5.097 140 H VAL 17 H VAL 17 9.285 -3.582 -3.123 141 HA VAL 17 HA VAL 17 10.241 -1.553 -4.809 142 HB VAL 17 HB VAL 17 9.538 0.047 -3.064 143 1HG1 VAL 17 1HG1 VAL 17 7.933 -1.376 -4.532 144 2HG1 VAL 17 2HG1 VAL 17 7.262 -0.487 -3.165 145 3HG1 VAL 17 3HG1 VAL 17 7.568 -2.216 -3.029 146 1HG2 VAL 17 1HG2 VAL 17 8.496 -1.198 -0.971 147 2HG2 VAL 17 2HG2 VAL 17 10.214 -0.808 -1.001 148 3HG2 VAL 17 3HG2 VAL 17 9.675 -2.443 -1.381 149 H LYS 18 H LYS 18 11.596 0.327 -4.116 150 HA LYS 18 HA LYS 18 14.105 -0.708 -2.914 151 1HB LYS 18 2HB LYS 18 15.017 1.525 -3.802 152 2HB LYS 18 1HB LYS 18 14.526 0.345 -5.017 153 1HG LYS 18 2HG LYS 18 12.359 1.463 -5.270 154 2HG LYS 18 1HG LYS 18 12.784 2.612 -4.003 155 1HD LYS 18 2HD LYS 18 13.351 3.842 -5.894 156 2HD LYS 18 1HD LYS 18 14.892 3.059 -5.548 157 1HE LYS 18 2HE LYS 18 14.420 2.793 -7.912 158 2HE LYS 18 1HE LYS 18 14.236 1.221 -7.136 159 1HZ LYS 18 1HZ LYS 18 12.046 3.108 -7.814 160 2HZ LYS 18 2HZ LYS 18 11.843 1.630 -7.000 161 3HZ LYS 18 3HZ LYS 18 12.393 1.649 -8.608 162 H CYS 19 H CYS 19 12.589 -0.580 -0.912 163 HA CYS 19 HA CYS 19 11.590 1.558 0.387 164 1HB CYS 19 2HB CYS 19 13.427 -0.577 1.471 165 2HB CYS 19 1HB CYS 19 12.653 0.608 2.523 166 H ASP 20 H ASP 20 15.022 1.100 -0.271 167 HA ASP 20 HA ASP 20 16.178 2.954 1.491 168 1HB ASP 20 2HB ASP 20 17.575 1.589 0.058 169 2HB ASP 20 1HB ASP 20 16.892 2.333 -1.389 170 H VAL 21 H VAL 21 14.549 3.502 -1.591 171 HA VAL 21 HA VAL 21 14.751 6.445 -1.149 172 HB VAL 21 HB VAL 21 13.567 5.345 -3.649 173 1HG1 VAL 21 1HG1 VAL 21 14.197 7.820 -2.958 174 2HG1 VAL 21 2HG1 VAL 21 14.469 7.270 -4.610 175 3HG1 VAL 21 3HG1 VAL 21 15.811 7.334 -3.468 176 1HG2 VAL 21 1HG2 VAL 21 16.495 5.053 -2.924 177 2HG2 VAL 21 2HG2 VAL 21 15.880 4.945 -4.573 178 3HG2 VAL 21 3HG2 VAL 21 15.376 3.764 -3.365 179 H GLU 22 H GLU 22 12.521 3.736 -1.498 180 HA GLU 22 HA GLU 22 10.104 5.268 -1.652 181 1HB GLU 22 2HB GLU 22 10.776 2.531 -1.579 182 2HB GLU 22 1HB GLU 22 9.751 2.795 -0.169 183 1HG GLU 22 2HG GLU 22 8.169 4.054 -1.762 184 2HG GLU 22 1HG GLU 22 9.102 3.330 -3.072 185 H MET 23 H MET 23 12.414 5.241 0.643 186 HA MET 23 HA MET 23 10.491 6.030 2.800 187 1HB MET 23 2HB MET 23 13.150 4.629 3.205 188 2HB MET 23 1HB MET 23 11.970 5.034 4.450 189 1HG MET 23 2HG MET 23 11.200 3.287 2.115 190 2HG MET 23 1HG MET 23 11.995 2.602 3.528 191 1HE MET 23 1HE MET 23 11.258 2.373 5.657 192 2HE MET 23 2HE MET 23 9.665 2.681 6.338 193 3HE MET 23 3HE MET 23 10.804 4.010 6.150 194 H ALA 24 H ALA 24 13.867 6.297 1.643 195 HA ALA 24 HA ALA 24 14.360 8.691 3.218 196 1HB ALA 24 1HB ALA 24 16.103 7.013 2.365 197 2HB ALA 24 2HB ALA 24 16.505 8.721 2.190 198 3HB ALA 24 3HB ALA 24 15.934 7.802 0.797 199 H LYS 25 H LYS 25 12.344 8.265 0.697 200 HA LYS 25 HA LYS 25 12.965 10.271 -1.197 201 1HB LYS 25 2HB LYS 25 10.519 8.876 -0.270 202 2HB LYS 25 1HB LYS 25 10.231 10.417 -1.067 203 1HG LYS 25 2HG LYS 25 10.961 9.667 -3.111 204 2HG LYS 25 1HG LYS 25 12.181 8.614 -2.410 205 1HD LYS 25 2HD LYS 25 10.778 6.922 -2.966 206 2HD LYS 25 1HD LYS 25 9.853 7.411 -1.549 207 1HE LYS 25 2HE LYS 25 9.388 8.217 -4.428 208 2HE LYS 25 1HE LYS 25 8.295 7.333 -3.363 209 1HZ LYS 25 1HZ LYS 25 9.168 10.152 -3.023 210 2HZ LYS 25 2HZ LYS 25 8.160 9.302 -1.950 211 3HZ LYS 25 3HZ LYS 25 7.634 9.636 -3.531 212 H ALA 26 H ALA 26 10.825 12.113 -1.103 213 HA ALA 26 HA ALA 26 11.706 13.832 1.168 214 1HB ALA 26 1HB ALA 26 10.215 14.573 -1.366 215 2HB ALA 26 2HB ALA 26 11.954 14.740 -1.131 216 3HB ALA 26 3HB ALA 26 10.837 15.698 -0.159 217 H LEU 27 H LEU 27 8.988 12.037 -0.009 218 HA LEU 27 HA LEU 27 7.084 13.604 1.636 219 1HB LEU 27 2HB LEU 27 5.349 12.344 0.603 220 2HB LEU 27 1HB LEU 27 6.511 12.684 -0.674 221 HG LEU 27 HG LEU 27 7.536 10.341 0.159 222 1HD1 LEU 27 1HD1 LEU 27 6.106 9.582 1.822 223 2HD1 LEU 27 2HD1 LEU 27 5.309 8.890 0.412 224 3HD1 LEU 27 3HD1 LEU 27 4.695 10.377 1.127 225 1HD2 LEU 27 1HD2 LEU 27 6.779 10.907 -2.137 226 2HD2 LEU 27 2HD2 LEU 27 5.113 10.588 -1.655 227 3HD2 LEU 27 3HD2 LEU 27 6.291 9.276 -1.678 228 H PHE 28 H PHE 28 9.294 11.212 2.195 229 HA PHE 28 HA PHE 28 7.631 10.004 4.379 230 1HB PHE 28 2HB PHE 28 9.830 8.879 2.654 231 2HB PHE 28 1HB PHE 28 9.496 8.181 4.234 232 HD1 PHE 28 1HD PHE 28 8.758 7.875 0.847 233 HD2 PHE 28 2HD PHE 28 6.817 7.886 4.680 234 HE1 PHE 28 1HE PHE 28 6.861 6.596 -0.108 235 HE2 PHE 28 2HE PHE 28 4.921 6.611 3.723 236 HZ PHE 28 HZ PHE 28 4.944 5.964 1.331 237 H ASP 29 H ASP 29 10.945 11.025 3.518 238 HA ASP 29 HA ASP 29 12.531 12.149 4.839 239 1HB ASP 29 2HB ASP 29 10.729 12.052 7.243 240 2HB ASP 29 1HB ASP 29 11.864 13.306 6.745 241 H CYS 30 H CYS 30 12.519 9.319 4.578 242 HA CYS 30 HA CYS 30 13.462 7.405 5.561 243 1HB CYS 30 2HB CYS 30 15.316 9.128 5.767 244 2HB CYS 30 1HB CYS 30 14.778 9.395 7.425 245 H LYS 31 H LYS 31 11.042 7.289 6.438 246 HA LYS 31 HA LYS 31 10.557 7.820 9.216 247 1HB LYS 31 2HB LYS 31 9.268 5.601 7.612 248 2HB LYS 31 1HB LYS 31 8.587 6.473 8.979 249 1HG LYS 31 2HG LYS 31 9.354 7.884 6.423 250 2HG LYS 31 1HG LYS 31 7.773 7.141 6.626 251 1HD LYS 31 2HD LYS 31 8.954 9.271 8.431 252 2HD LYS 31 1HD LYS 31 7.722 9.540 7.203 253 1HE LYS 31 2HE LYS 31 6.298 9.230 8.970 254 2HE LYS 31 1HE LYS 31 6.546 7.526 8.591 255 1HZ LYS 31 1HZ LYS 31 8.562 8.711 10.295 256 2HZ LYS 31 2HZ LYS 31 7.773 7.212 10.421 257 3HZ LYS 31 3HZ LYS 31 7.015 8.625 10.985 258 H LYS 32 H LYS 32 9.539 4.987 9.650 259 HA LYS 32 HA LYS 32 12.130 3.624 10.245 260 1HB LYS 32 2HB LYS 32 11.623 4.405 12.385 261 2HB LYS 32 1HB LYS 32 9.884 4.357 12.100 262 1HG LYS 32 2HG LYS 32 9.778 2.016 12.397 263 2HG LYS 32 1HG LYS 32 11.520 1.826 12.193 264 1HD LYS 32 2HD LYS 32 11.945 2.937 14.312 265 2HD LYS 32 1HD LYS 32 10.231 3.314 14.497 266 1HE LYS 32 2HE LYS 32 9.683 0.940 14.640 267 2HE LYS 32 1HE LYS 32 11.367 0.507 14.343 268 1HZ LYS 32 1HZ LYS 32 11.383 0.459 16.590 269 2HZ LYS 32 2HZ LYS 32 10.118 1.581 16.750 270 3HZ LYS 32 3HZ LYS 32 11.692 2.116 16.398 271 H THR 33 H THR 33 8.671 3.430 9.618 272 HA THR 33 HA THR 33 9.060 0.674 8.580 273 HB THR 33 HB THR 33 8.222 0.215 10.783 274 HG1 THR 33 1HG THR 33 6.694 -0.119 8.598 275 1HG2 THR 33 1HG2 THR 33 6.203 1.350 11.666 276 2HG2 THR 33 2HG2 THR 33 6.163 2.368 10.227 277 3HG2 THR 33 3HG2 THR 33 7.512 2.491 11.356 278 H ASN 34 H ASN 34 7.485 0.147 6.926 279 HA ASN 34 HA ASN 34 5.400 2.093 6.266 280 1HB ASN 34 2HB ASN 34 7.588 3.069 5.395 281 2HB ASN 34 1HB ASN 34 7.624 1.724 4.255 282 1HD2 ASN 34 1HD2 ASN 34 5.461 1.472 2.954 283 2HD2 ASN 34 2HD2 ASN 34 4.716 2.911 2.448 284 H THR 35 H THR 35 4.003 1.339 4.593 285 HA THR 35 HA THR 35 4.542 -1.405 3.562 286 HB THR 35 HB THR 35 2.016 -0.485 4.966 287 HG1 THR 35 1HG THR 35 3.259 -1.238 6.516 288 1HG2 THR 35 1HG2 THR 35 2.635 -2.931 3.308 289 2HG2 THR 35 2HG2 THR 35 1.286 -1.808 3.132 290 3HG2 THR 35 3HG2 THR 35 1.340 -2.915 4.505 291 H PHE 36 H PHE 36 3.424 -1.870 1.597 292 HA PHE 36 HA PHE 36 1.869 0.355 0.361 293 1HB PHE 36 2HB PHE 36 3.923 -0.993 -1.359 294 2HB PHE 36 1HB PHE 36 3.222 0.610 -1.517 295 HD1 PHE 36 1HD PHE 36 4.528 2.447 -0.933 296 HD2 PHE 36 2HD PHE 36 5.356 -1.366 0.846 297 HE1 PHE 36 1HE PHE 36 6.514 3.407 0.197 298 HE2 PHE 36 2HE PHE 36 7.338 -0.411 1.980 299 HZ PHE 36 HZ PHE 36 7.922 1.974 1.648 300 H ILE 37 H ILE 37 1.264 -0.663 -2.051 301 HA ILE 37 HA ILE 37 0.470 -3.505 -1.558 302 HB ILE 37 HB ILE 37 -1.254 -1.366 -2.835 303 1HG1 ILE 37 2HG1 ILE 37 -1.882 -2.697 -0.210 304 2HG1 ILE 37 1HG1 ILE 37 -0.760 -1.343 -0.225 305 1HG2 ILE 37 1HG2 ILE 37 -3.015 -3.152 -2.539 306 2HG2 ILE 37 2HG2 ILE 37 -1.721 -4.267 -2.104 307 3HG2 ILE 37 3HG2 ILE 37 -1.763 -3.552 -3.715 308 1HD1 ILE 37 1HD1 ILE 37 -3.297 -0.982 -1.738 309 2HD1 ILE 37 2HD1 ILE 37 -2.377 0.180 -0.782 310 3HD1 ILE 37 3HD1 ILE 37 -3.409 -1.000 0.022 311 H TYR 38 H TYR 38 1.072 -4.844 -3.199 312 HA TYR 38 HA TYR 38 2.113 -3.579 -5.684 313 1HB TYR 38 2HB TYR 38 3.514 -5.285 -4.601 314 2HB TYR 38 1HB TYR 38 2.201 -6.454 -4.721 315 HD1 TYR 38 1HD TYR 38 3.989 -4.036 -6.976 316 HD2 TYR 38 2HD TYR 38 2.327 -7.967 -6.480 317 HE1 TYR 38 1HE TYR 38 4.726 -4.638 -9.267 318 HE2 TYR 38 2HE TYR 38 3.065 -8.568 -8.770 319 HH TYR 38 HH TYR 38 4.493 -7.926 -10.467 320 H ALA 39 H ALA 39 0.250 -3.046 -6.863 321 HA ALA 39 HA ALA 39 -1.152 -5.331 -8.090 322 1HB ALA 39 1HB ALA 39 -2.557 -4.915 -6.137 323 2HB ALA 39 2HB ALA 39 -3.399 -4.361 -7.584 324 3HB ALA 39 3HB ALA 39 -2.622 -3.194 -6.514 325 H LEU 40 H LEU 40 -2.349 -4.654 -10.028 326 HA LEU 40 HA LEU 40 -1.110 -2.276 -11.239 327 1HB LEU 40 2HB LEU 40 -1.469 -3.292 -13.253 328 2HB LEU 40 1HB LEU 40 -1.620 -4.726 -12.247 329 HG LEU 40 HG LEU 40 -4.179 -3.933 -12.142 330 1HD1 LEU 40 1HD1 LEU 40 -4.904 -2.830 -14.123 331 2HD1 LEU 40 2HD1 LEU 40 -3.342 -3.045 -14.908 332 3HD1 LEU 40 3HD1 LEU 40 -3.511 -1.901 -13.581 333 1HD2 LEU 40 1HD2 LEU 40 -2.881 -5.364 -14.481 334 2HD2 LEU 40 2HD2 LEU 40 -4.598 -5.431 -14.083 335 3HD2 LEU 40 3HD2 LEU 40 -3.408 -6.107 -12.971 336 HA PRO 41 HA PRO 41 -4.197 0.770 -10.526 337 1HB PRO 41 2HB PRO 41 -4.428 0.985 -13.496 338 2HB PRO 41 1HB PRO 41 -4.148 2.254 -12.291 339 1HG PRO 41 2HG PRO 41 -2.206 1.160 -13.885 340 2HG PRO 41 1HG PRO 41 -1.909 1.969 -12.340 341 1HD PRO 41 2HD PRO 41 -1.574 -0.842 -12.986 342 2HD PRO 41 1HD PRO 41 -1.154 0.003 -11.483 343 H GLY 42 H GLY 42 -5.057 -1.099 -13.463 344 1HA GLY 42 2HA GLY 42 -7.837 -0.819 -13.319 345 2HA GLY 42 1HA GLY 42 -7.053 -2.245 -13.989 346 H ARG 43 H ARG 43 -5.938 -3.479 -11.863 347 HA ARG 43 HA ARG 43 -8.139 -4.718 -10.550 348 1HB ARG 43 2HB ARG 43 -5.179 -4.706 -9.920 349 2HB ARG 43 1HB ARG 43 -6.347 -5.714 -9.066 350 1HG ARG 43 2HG ARG 43 -7.060 -6.568 -11.385 351 2HG ARG 43 1HG ARG 43 -5.584 -5.815 -11.988 352 1HD ARG 43 2HD ARG 43 -5.102 -8.140 -11.484 353 2HD ARG 43 1HD ARG 43 -4.289 -7.130 -10.287 354 HE ARG 43 HE ARG 43 -6.792 -7.758 -9.183 355 1HH1 ARG 43 1HH2 ARG 43 -3.987 -9.378 -10.361 356 2HH1 ARG 43 2HH2 ARG 43 -4.153 -10.728 -9.289 357 1HH2 ARG 43 1HH1 ARG 43 -7.026 -9.510 -7.776 358 2HH2 ARG 43 2HH1 ARG 43 -5.873 -10.803 -7.825 359 H VAL 44 H VAL 44 -6.124 -1.975 -9.656 360 HA VAL 44 HA VAL 44 -6.957 -1.949 -6.873 361 HB VAL 44 HB VAL 44 -5.785 0.261 -8.588 362 1HG1 VAL 44 1HG1 VAL 44 -5.032 1.011 -6.207 363 2HG1 VAL 44 2HG1 VAL 44 -6.338 -0.027 -5.637 364 3HG1 VAL 44 3HG1 VAL 44 -6.693 1.335 -6.702 365 1HG2 VAL 44 1HG2 VAL 44 -4.333 -1.441 -6.559 366 2HG2 VAL 44 2HG2 VAL 44 -3.654 -0.453 -7.852 367 3HG2 VAL 44 3HG2 VAL 44 -4.483 -1.960 -8.237 368 H LYS 45 H LYS 45 -7.736 0.233 -9.606 369 HA LYS 45 HA LYS 45 -9.892 1.529 -8.217 370 1HB LYS 45 2HB LYS 45 -10.493 2.447 -10.399 371 2HB LYS 45 1HB LYS 45 -8.738 2.475 -10.224 372 1HG LYS 45 2HG LYS 45 -8.788 0.161 -11.390 373 2HG LYS 45 1HG LYS 45 -10.430 0.593 -11.866 374 1HD LYS 45 2HD LYS 45 -7.901 2.143 -12.490 375 2HD LYS 45 1HD LYS 45 -8.907 1.261 -13.640 376 1HE LYS 45 2HE LYS 45 -9.595 3.776 -12.113 377 2HE LYS 45 1HE LYS 45 -9.564 3.539 -13.860 378 1HZ LYS 45 1HZ LYS 45 -11.785 3.349 -13.438 379 2HZ LYS 45 2HZ LYS 45 -11.562 2.670 -11.897 380 3HZ LYS 45 3HZ LYS 45 -11.328 1.723 -13.288 381 H ALA 46 H ALA 46 -9.606 -1.496 -9.820 382 HA ALA 46 HA ALA 46 -12.486 -1.825 -10.294 383 1HB ALA 46 1HB ALA 46 -10.879 -2.868 -11.831 384 2HB ALA 46 2HB ALA 46 -11.816 -4.114 -11.010 385 3HB ALA 46 3HB ALA 46 -10.168 -3.771 -10.494 386 H LEU 47 H LEU 47 -10.194 -2.468 -7.765 387 HA LEU 47 HA LEU 47 -11.732 -4.563 -6.472 388 1HB LEU 47 2HB LEU 47 -9.350 -2.893 -5.778 389 2HB LEU 47 1HB LEU 47 -10.216 -3.664 -4.450 390 HG LEU 47 HG LEU 47 -9.458 -5.274 -6.883 391 1HD1 LEU 47 1HD1 LEU 47 -7.687 -4.778 -4.470 392 2HD1 LEU 47 2HD1 LEU 47 -7.397 -4.122 -6.081 393 3HD1 LEU 47 3HD1 LEU 47 -7.338 -5.864 -5.815 394 1HD2 LEU 47 1HD2 LEU 47 -9.424 -7.089 -5.184 395 2HD2 LEU 47 2HD2 LEU 47 -10.983 -6.269 -5.223 396 3HD2 LEU 47 3HD2 LEU 47 -9.832 -5.912 -3.936 397 H CYS 48 H CYS 48 -12.469 -1.378 -6.935 398 HA CYS 48 HA CYS 48 -14.059 -1.287 -4.395 399 1HB CYS 48 2HB CYS 48 -12.536 0.913 -5.802 400 2HB CYS 48 1HB CYS 48 -13.856 1.264 -4.689 401 H LYS 49 H LYS 49 -14.504 -2.047 -7.382 402 HA LYS 49 HA LYS 49 -16.377 -0.078 -8.375 403 1HB LYS 49 2HB LYS 49 -16.866 -1.705 -10.099 404 2HB LYS 49 1HB LYS 49 -15.127 -1.729 -9.798 405 1HG LYS 49 2HG LYS 49 -15.577 -3.640 -8.162 406 2HG LYS 49 1HG LYS 49 -17.201 -3.713 -8.844 407 1HD LYS 49 2HD LYS 49 -16.089 -3.900 -11.133 408 2HD LYS 49 1HD LYS 49 -14.574 -4.167 -10.271 409 1HE LYS 49 2HE LYS 49 -15.643 -6.314 -10.849 410 2HE LYS 49 1HE LYS 49 -15.577 -6.094 -9.099 411 1HZ LYS 49 1HZ LYS 49 -17.930 -5.423 -10.780 412 2HZ LYS 49 2HZ LYS 49 -17.847 -5.400 -9.083 413 3HZ LYS 49 3HZ LYS 49 -17.756 -6.874 -9.922 414 H ASN 50 H ASN 50 -18.594 -0.017 -8.158 415 HA ASN 50 HA ASN 50 -20.751 -0.621 -7.450 416 1HB ASN 50 2HB ASN 50 -19.732 -3.226 -6.344 417 2HB ASN 50 1HB ASN 50 -21.293 -2.858 -7.072 418 1HD2 ASN 50 1HD2 ASN 50 -19.693 -1.314 -9.265 419 2HD2 ASN 50 2HD2 ASN 50 -19.180 -2.550 -10.309 420 H ILE 51 H ILE 51 -18.254 0.206 -5.626 421 HA ILE 51 HA ILE 51 -19.415 -0.478 -2.993 422 HB ILE 51 HB ILE 51 -16.968 1.150 -3.733 423 1HG1 ILE 51 2HG1 ILE 51 -16.702 -1.205 -4.326 424 2HG1 ILE 51 1HG1 ILE 51 -15.740 -0.855 -2.893 425 1HG2 ILE 51 1HG2 ILE 51 -17.551 1.918 -1.600 426 2HG2 ILE 51 2HG2 ILE 51 -16.446 0.593 -1.243 427 3HG2 ILE 51 3HG2 ILE 51 -18.186 0.348 -1.104 428 1HD1 ILE 51 1HD1 ILE 51 -16.797 -2.810 -2.225 429 2HD1 ILE 51 2HD1 ILE 51 -18.263 -2.454 -3.134 430 3HD1 ILE 51 3HD1 ILE 51 -17.940 -1.613 -1.618 431 H ARG 52 H ARG 52 -19.479 1.463 -1.411 432 HA ARG 52 HA ARG 52 -20.976 3.676 -2.759 433 1HB ARG 52 2HB ARG 52 -21.048 2.855 0.159 434 2HB ARG 52 1HB ARG 52 -22.117 4.007 -0.643 435 1HG ARG 52 2HG ARG 52 -21.899 1.065 -1.355 436 2HG ARG 52 1HG ARG 52 -23.177 1.769 -0.365 437 1HD ARG 52 2HD ARG 52 -23.517 3.384 -2.397 438 2HD ARG 52 1HD ARG 52 -22.640 2.150 -3.301 439 HE ARG 52 HE ARG 52 -24.558 0.669 -2.032 440 1HH1 ARG 52 1HH2 ARG 52 -24.589 3.607 -3.838 441 2HH1 ARG 52 2HH2 ARG 52 -26.192 3.369 -4.449 442 1HH2 ARG 52 1HH1 ARG 52 -26.650 0.342 -2.821 443 2HH2 ARG 52 2HH1 ARG 52 -27.358 1.521 -3.874 444 H ASP 53 H ASP 53 -20.845 5.390 -0.429 445 HA ASP 53 HA ASP 53 -18.492 6.882 -0.987 446 1HB ASP 53 2HB ASP 53 -19.966 6.912 1.650 447 2HB ASP 53 1HB ASP 53 -19.083 8.236 0.888 448 H ASN 54 H ASN 54 -17.626 7.380 1.716 449 HA ASN 54 HA ASN 54 -15.400 5.592 1.816 450 1HB ASN 54 2HB ASN 54 -16.517 7.399 3.982 451 2HB ASN 54 1HB ASN 54 -14.922 6.646 4.009 452 1HD2 ASN 54 1HD2 ASN 54 -16.926 8.802 1.921 453 2HD2 ASN 54 2HD2 ASN 54 -15.610 9.700 1.336 454 H THR 55 H THR 55 -15.546 3.490 2.321 455 HA THR 55 HA THR 55 -17.049 2.695 4.757 456 HB THR 55 HB THR 55 -17.436 0.625 2.818 457 HG1 THR 55 1HG THR 55 -18.892 2.542 1.715 458 1HG2 THR 55 1HG2 THR 55 -19.334 2.635 4.066 459 2HG2 THR 55 2HG2 THR 55 -18.920 1.044 4.706 460 3HG2 THR 55 3HG2 THR 55 -19.838 1.180 3.206 461 H ASP 56 H ASP 56 -16.173 0.789 5.732 462 HA ASP 56 HA ASP 56 -13.368 0.292 5.015 463 1HB ASP 56 2HB ASP 56 -15.082 -0.949 7.191 464 2HB ASP 56 1HB ASP 56 -13.328 -1.079 7.053 465 H VAL 57 H VAL 57 -12.832 -1.240 3.549 466 HA VAL 57 HA VAL 57 -14.676 -3.580 3.214 467 HB VAL 57 HB VAL 57 -13.675 -3.713 0.892 468 1HG1 VAL 57 1HG1 VAL 57 -15.889 -2.751 1.252 469 2HG1 VAL 57 2HG1 VAL 57 -15.033 -1.798 0.040 470 3HG1 VAL 57 3HG1 VAL 57 -15.173 -1.200 1.694 471 1HG2 VAL 57 1HG2 VAL 57 -11.685 -2.237 1.619 472 2HG2 VAL 57 2HG2 VAL 57 -12.785 -0.873 1.417 473 3HG2 VAL 57 3HG2 VAL 57 -12.396 -1.903 0.040 474 H LEU 58 H LEU 58 -13.482 -5.550 2.373 475 HA LEU 58 HA LEU 58 -10.737 -5.757 3.553 476 1HB LEU 58 2HB LEU 58 -13.068 -6.965 4.540 477 2HB LEU 58 1HB LEU 58 -12.301 -8.245 3.610 478 HG LEU 58 HG LEU 58 -11.598 -8.223 5.999 479 1HD1 LEU 58 1HD1 LEU 58 -9.104 -8.180 5.517 480 2HD1 LEU 58 2HD1 LEU 58 -9.512 -7.649 3.890 481 3HD1 LEU 58 3HD1 LEU 58 -10.063 -9.219 4.468 482 1HD2 LEU 58 1HD2 LEU 58 -9.824 -5.892 5.664 483 2HD2 LEU 58 2HD2 LEU 58 -10.797 -6.376 7.051 484 3HD2 LEU 58 3HD2 LEU 58 -11.538 -5.480 5.728 485 H SER 59 H SER 59 -9.257 -6.916 2.251 486 HA SER 59 HA SER 59 -9.804 -7.194 -0.504 487 1HB SER 59 2HB SER 59 -7.548 -7.353 -0.303 488 2HB SER 59 1HB SER 59 -7.652 -8.039 1.310 489 HG SER 59 HG SER 59 -6.900 -9.649 0.018 490 H ARG 60 H ARG 60 -10.092 -9.151 -1.798 491 HA ARG 60 HA ARG 60 -12.209 -10.801 -0.810 492 1HB ARG 60 2HB ARG 60 -10.395 -11.215 -3.202 493 2HB ARG 60 1HB ARG 60 -11.914 -12.064 -2.915 494 1HG ARG 60 2HG ARG 60 -13.084 -9.850 -2.871 495 2HG ARG 60 1HG ARG 60 -11.561 -9.080 -3.317 496 1HD ARG 60 2HD ARG 60 -12.760 -9.406 -5.363 497 2HD ARG 60 1HD ARG 60 -11.505 -10.645 -5.329 498 HE ARG 60 HE ARG 60 -14.010 -11.576 -4.181 499 1HH1 ARG 60 1HH2 ARG 60 -12.203 -10.992 -7.058 500 2HH1 ARG 60 2HH2 ARG 60 -13.042 -12.189 -7.987 501 1HH2 ARG 60 1HH1 ARG 60 -15.116 -13.144 -5.376 502 2HH2 ARG 60 2HH1 ARG 60 -14.690 -13.408 -7.034 503 H ASP 61 H ASP 61 -8.718 -11.406 -1.175 504 HA ASP 61 HA ASP 61 -9.026 -13.693 0.698 505 1HB ASP 61 2HB ASP 61 -9.151 -14.624 -1.612 506 2HB ASP 61 1HB ASP 61 -7.569 -13.922 -1.951 507 H ALA 62 H ALA 62 -6.367 -12.517 -1.388 508 HA ALA 62 HA ALA 62 -4.995 -11.398 0.957 509 1HB ALA 62 1HB ALA 62 -2.949 -12.834 0.504 510 2HB ALA 62 2HB ALA 62 -3.982 -13.848 -0.503 511 3HB ALA 62 3HB ALA 62 -4.316 -13.687 1.222 512 H PHE 63 H PHE 63 -2.822 -10.455 0.261 513 HA PHE 63 HA PHE 63 -2.556 -9.955 -2.633 514 1HB PHE 63 2HB PHE 63 -3.452 -7.887 -0.643 515 2HB PHE 63 1HB PHE 63 -2.421 -7.394 -1.987 516 HD1 PHE 63 1HD PHE 63 -5.724 -8.645 -1.011 517 HD2 PHE 63 2HD PHE 63 -3.181 -7.635 -4.320 518 HE1 PHE 63 1HE PHE 63 -7.688 -8.665 -2.526 519 HE2 PHE 63 2HE PHE 63 -5.143 -7.654 -5.836 520 HZ PHE 63 HZ PHE 63 -7.396 -8.171 -4.939 521 H LEU 64 H LEU 64 -0.437 -9.605 -3.160 522 HA LEU 64 HA LEU 64 1.559 -9.906 -1.051 523 1HB LEU 64 2HB LEU 64 1.621 -10.833 -3.479 524 2HB LEU 64 1HB LEU 64 2.142 -9.214 -3.934 525 HG LEU 64 HG LEU 64 3.527 -10.748 -1.725 526 1HD1 LEU 64 1HD1 LEU 64 4.123 -10.808 -4.697 527 2HD1 LEU 64 2HD1 LEU 64 3.616 -12.174 -3.703 528 3HD1 LEU 64 3HD1 LEU 64 5.195 -11.433 -3.443 529 1HD2 LEU 64 1HD2 LEU 64 4.183 -8.474 -1.716 530 2HD2 LEU 64 2HD2 LEU 64 4.155 -8.363 -3.475 531 3HD2 LEU 64 3HD2 LEU 64 5.440 -9.258 -2.668 532 H LEU 65 H LEU 65 2.095 -8.130 0.164 533 HA LEU 65 HA LEU 65 2.373 -5.540 -1.297 534 1HB LEU 65 2HB LEU 65 2.107 -4.983 1.467 535 2HB LEU 65 1HB LEU 65 0.976 -4.606 0.182 536 HG LEU 65 HG LEU 65 0.989 -7.352 1.393 537 1HD1 LEU 65 1HD1 LEU 65 -0.318 -4.832 2.457 538 2HD1 LEU 65 2HD1 LEU 65 0.840 -5.864 3.298 539 3HD1 LEU 65 3HD1 LEU 65 -0.783 -6.461 2.952 540 1HD2 LEU 65 1HD2 LEU 65 -1.408 -7.193 0.714 541 2HD2 LEU 65 2HD2 LEU 65 -0.330 -6.942 -0.656 542 3HD2 LEU 65 3HD2 LEU 65 -1.113 -5.564 0.111 543 HA PRO 66 HA PRO 66 6.588 -5.851 0.187 544 1HB PRO 66 2HB PRO 66 7.447 -3.410 -0.693 545 2HB PRO 66 1HB PRO 66 7.224 -4.800 -1.771 546 1HG PRO 66 2HG PRO 66 5.501 -2.428 -1.372 547 2HG PRO 66 1HG PRO 66 5.799 -3.371 -2.838 548 1HD PRO 66 2HD PRO 66 3.521 -3.582 -1.267 549 2HD PRO 66 1HD PRO 66 4.101 -4.824 -2.398 550 H GLN 67 H GLN 67 7.848 -4.836 1.957 551 HA GLN 67 HA GLN 67 6.506 -2.580 3.345 552 1HB GLN 67 2HB GLN 67 7.234 -5.106 4.838 553 2HB GLN 67 1HB GLN 67 6.318 -3.724 5.437 554 1HG GLN 67 2HG GLN 67 4.554 -4.225 3.724 555 2HG GLN 67 1HG GLN 67 5.440 -5.690 3.304 556 1HE2 GLN 67 1HE2 GLN 67 2.947 -6.219 4.214 557 2HE2 GLN 67 2HE2 GLN 67 2.960 -6.753 5.826 558 H CYS 68 H CYS 68 7.964 -1.199 4.246 559 HA CYS 68 HA CYS 68 10.833 -1.960 4.097 560 1HB CYS 68 2HB CYS 68 9.622 0.706 4.881 561 2HB CYS 68 1HB CYS 68 11.291 0.393 4.408 562 H ASP 69 H ASP 69 11.885 -2.661 5.876 563 HA ASP 69 HA ASP 69 10.713 -1.995 8.559 564 1HB ASP 69 2HB ASP 69 11.864 -4.532 7.434 565 2HB ASP 69 1HB ASP 69 11.973 -4.225 9.168 566 H ARG 70 H ARG 70 12.030 -0.522 9.519 567 HA ARG 70 HA ARG 70 14.859 -0.294 8.842 568 1HB ARG 70 2HB ARG 70 13.324 1.623 9.547 569 2HB ARG 70 1HB ARG 70 13.426 0.979 11.184 570 1HG ARG 70 2HG ARG 70 15.262 2.315 11.376 571 2HG ARG 70 1HG ARG 70 16.081 1.045 10.470 572 1HD ARG 70 2HD ARG 70 16.594 2.974 9.234 573 2HD ARG 70 1HD ARG 70 15.208 2.318 8.363 574 HE ARG 70 HE ARG 70 14.006 4.240 8.993 575 1HH1 ARG 70 1HH2 ARG 70 16.705 3.680 11.063 576 2HH1 ARG 70 2HH2 ARG 70 16.487 5.142 11.964 577 1HH2 ARG 70 1HH1 ARG 70 13.708 6.156 10.158 578 2HH2 ARG 70 2HH1 ARG 70 14.792 6.544 11.451 579 H ILE 71 H ILE 71 16.622 -0.819 10.229 580 HA ILE 71 HA ILE 71 16.275 -1.906 12.866 581 HB ILE 71 HB ILE 71 15.316 -3.822 11.722 582 1HG1 ILE 71 2HG1 ILE 71 16.843 -5.572 12.447 583 2HG1 ILE 71 1HG1 ILE 71 18.207 -4.458 12.402 584 1HG2 ILE 71 1HG2 ILE 71 17.875 -3.955 10.104 585 2HG2 ILE 71 2HG2 ILE 71 16.370 -3.265 9.498 586 3HG2 ILE 71 3HG2 ILE 71 16.447 -4.974 9.925 587 1HD1 ILE 71 1HD1 ILE 71 17.479 -3.287 14.298 588 2HD1 ILE 71 2HD1 ILE 71 17.049 -4.950 14.695 589 3HD1 ILE 71 3HD1 ILE 71 15.812 -3.834 14.116 590 H LYS 72 H LYS 72 18.275 -1.906 9.927 591 HA LYS 72 HA LYS 72 20.706 -1.748 11.670 592 1HB LYS 72 2HB LYS 72 20.429 -3.616 9.894 593 2HB LYS 72 1HB LYS 72 20.719 -2.343 8.710 594 1HG LYS 72 2HG LYS 72 22.841 -1.775 9.897 595 2HG LYS 72 1HG LYS 72 22.569 -3.140 10.978 596 1HD LYS 72 2HD LYS 72 22.859 -3.308 7.961 597 2HD LYS 72 1HD LYS 72 24.096 -3.757 9.135 598 1HE LYS 72 2HE LYS 72 21.491 -5.127 8.518 599 2HE LYS 72 1HE LYS 72 23.104 -5.822 8.668 600 1HZ LYS 72 1HZ LYS 72 21.822 -6.388 10.591 601 2HZ LYS 72 2HZ LYS 72 21.419 -4.761 10.870 602 3HZ LYS 72 3HZ LYS 72 23.025 -5.287 11.055 603 H LEU 73 H LEU 73 22.427 -0.265 10.848 604 HA LEU 73 HA LEU 73 23.069 1.919 10.296 605 1HB LEU 73 2HB LEU 73 21.768 0.666 8.018 606 2HB LEU 73 1HB LEU 73 21.507 2.405 7.976 607 HG LEU 73 HG LEU 73 24.063 2.574 8.457 608 1HD1 LEU 73 1HD1 LEU 73 24.247 0.120 8.997 609 2HD1 LEU 73 2HD1 LEU 73 25.387 0.671 7.768 610 3HD1 LEU 73 3HD1 LEU 73 23.941 -0.220 7.293 611 1HD2 LEU 73 1HD2 LEU 73 24.543 2.193 5.987 612 2HD2 LEU 73 2HD2 LEU 73 23.186 3.266 6.329 613 3HD2 LEU 73 3HD2 LEU 73 22.889 1.597 5.842 614 HA PRO 74 HA PRO 74 19.886 4.737 11.566 615 1HB PRO 74 2HB PRO 74 20.578 7.097 10.450 616 2HB PRO 74 1HB PRO 74 21.602 6.299 11.660 617 1HG PRO 74 2HG PRO 74 21.928 6.450 8.711 618 2HG PRO 74 1HG PRO 74 23.156 6.459 9.986 619 1HD PRO 74 2HD PRO 74 22.436 4.229 8.446 620 2HD PRO 74 1HD PRO 74 23.330 4.173 9.978 621 H CYS 75 H CYS 75 20.338 4.679 8.055 622 HA CYS 75 HA CYS 75 17.408 5.188 7.751 623 1HB CYS 75 2HB CYS 75 18.968 7.185 7.177 624 2HB CYS 75 1HB CYS 75 19.411 6.236 5.757 625 H HIS 76 H HIS 76 18.328 2.638 7.824 626 HA HIS 76 HA HIS 76 18.324 1.809 4.940 627 1HB HIS 76 2HB HIS 76 20.489 1.316 6.111 628 2HB HIS 76 1HB HIS 76 19.594 0.318 7.258 629 HD1 HIS 76 1HD HIS 76 18.260 0.187 3.837 630 HD2 HIS 76 2HD HIS 76 21.101 -1.918 6.051 631 HE1 HIS 76 1HE HIS 76 18.709 -1.961 2.570 632 HE2 HIS 76 2HE HIS 76 20.436 -3.250 3.908 633 H TYR 77 H TYR 77 17.010 -0.057 4.471 634 HA TYR 77 HA TYR 77 15.258 -0.981 6.706 635 1HB TYR 77 2HB TYR 77 14.068 -0.467 4.000 636 2HB TYR 77 1HB TYR 77 13.279 -0.501 5.577 637 HD1 TYR 77 1HD TYR 77 13.197 1.447 6.982 638 HD2 TYR 77 2HD TYR 77 15.479 1.481 3.342 639 HE1 TYR 77 1HE TYR 77 13.451 3.907 7.163 640 HE2 TYR 77 2HE TYR 77 15.733 3.942 3.526 641 HH TYR 77 HH TYR 77 14.120 5.766 6.108 642 H LYS 78 H LYS 78 14.136 -3.010 6.201 643 HA LYS 78 HA LYS 78 15.741 -4.704 4.334 644 1HB LYS 78 2HB LYS 78 15.190 -5.086 7.010 645 2HB LYS 78 1HB LYS 78 13.921 -6.041 6.249 646 1HG LYS 78 2HG LYS 78 16.889 -6.275 5.658 647 2HG LYS 78 1HG LYS 78 15.950 -7.396 6.645 648 1HD LYS 78 2HD LYS 78 14.414 -7.544 4.507 649 2HD LYS 78 1HD LYS 78 15.851 -6.949 3.674 650 1HE LYS 78 2HE LYS 78 17.169 -8.814 4.612 651 2HE LYS 78 1HE LYS 78 15.731 -9.413 5.438 652 1HZ LYS 78 1HZ LYS 78 15.234 -8.955 2.674 653 2HZ LYS 78 2HZ LYS 78 15.020 -10.371 3.587 654 3HZ LYS 78 3HZ LYS 78 16.529 -10.029 2.887 655 H LEU 79 H LEU 79 14.612 -6.050 2.853 656 HA LEU 79 HA LEU 79 11.954 -5.052 2.104 657 1HB LEU 79 2HB LEU 79 13.970 -5.761 0.546 658 2HB LEU 79 1HB LEU 79 13.299 -7.376 0.751 659 HG LEU 79 HG LEU 79 12.318 -6.414 -1.237 660 1HD1 LEU 79 1HD1 LEU 79 10.223 -6.100 0.917 661 2HD1 LEU 79 2HD1 LEU 79 10.858 -7.678 0.448 662 3HD1 LEU 79 3HD1 LEU 79 10.010 -6.681 -0.732 663 1HD2 LEU 79 1HD2 LEU 79 10.998 -4.171 0.228 664 2HD2 LEU 79 2HD2 LEU 79 11.565 -4.249 -1.438 665 3HD2 LEU 79 3HD2 LEU 79 12.715 -3.981 -0.131 666 H SER 80 H SER 80 10.186 -5.911 3.049 667 HA SER 80 HA SER 80 10.104 -8.860 3.511 668 1HB SER 80 2HB SER 80 10.427 -8.178 5.721 669 2HB SER 80 1HB SER 80 9.600 -6.643 5.474 670 HG SER 80 HG SER 80 8.396 -9.218 5.488 671 H SER 81 H SER 81 8.382 -9.648 2.404 672 HA SER 81 HA SER 81 5.902 -7.993 2.258 673 1HB SER 81 2HB SER 81 6.725 -9.529 -0.176 674 2HB SER 81 1HB SER 81 5.780 -8.047 -0.052 675 HG SER 81 HG SER 81 8.143 -8.041 -0.789 676 H SER 82 H SER 82 3.991 -9.316 1.657 677 HA SER 82 HA SER 82 4.179 -12.210 1.631 678 1HB SER 82 2HB SER 82 4.599 -11.733 4.055 679 2HB SER 82 1HB SER 82 3.041 -10.915 4.130 680 HG SER 82 HG SER 82 3.437 -13.603 3.297 681 H THR 83 H THR 83 1.958 -13.185 1.618 682 HA THR 83 HA THR 83 0.082 -11.288 0.331 683 HB THR 83 HB THR 83 -0.900 -13.800 -0.112 684 HG1 THR 83 1HG THR 83 1.789 -14.232 -0.517 685 1HG2 THR 83 1HG2 THR 83 -0.519 -12.152 -1.846 686 2HG2 THR 83 2HG2 THR 83 0.319 -13.637 -2.300 687 3HG2 THR 83 3HG2 THR 83 1.227 -12.281 -1.631 688 H ASN 84 H ASN 84 -1.563 -10.585 1.579 689 HA ASN 84 HA ASN 84 -3.094 -12.470 3.214 690 1HB ASN 84 2HB ASN 84 -2.791 -11.217 5.330 691 2HB ASN 84 1HB ASN 84 -1.269 -11.913 4.770 692 1HD2 ASN 84 1HD2 ASN 84 -1.189 -9.688 6.505 693 2HD2 ASN 84 2HD2 ASN 84 -0.645 -8.327 5.649 694 H THR 85 H THR 85 -5.131 -11.508 3.923 695 HA THR 85 HA THR 85 -6.135 -9.525 2.103 696 HB THR 85 HB THR 85 -7.765 -9.777 4.496 697 HG1 THR 85 1HG THR 85 -6.906 -11.669 5.001 698 1HG2 THR 85 1HG2 THR 85 -8.878 -9.358 2.459 699 2HG2 THR 85 2HG2 THR 85 -9.219 -11.055 2.779 700 3HG2 THR 85 3HG2 THR 85 -7.983 -10.615 1.608 701 H ILE 86 H ILE 86 -7.120 -7.408 2.895 702 HA ILE 86 HA ILE 86 -5.810 -6.294 5.304 703 HB ILE 86 HB ILE 86 -4.436 -4.797 4.247 704 1HG1 ILE 86 2HG1 ILE 86 -6.243 -3.500 3.213 705 2HG1 ILE 86 1HG1 ILE 86 -4.943 -3.739 2.054 706 1HG2 ILE 86 1HG2 ILE 86 -3.510 -5.683 2.136 707 2HG2 ILE 86 2HG2 ILE 86 -4.900 -6.755 1.979 708 3HG2 ILE 86 3HG2 ILE 86 -3.768 -6.968 3.315 709 1HD1 ILE 86 1HD1 ILE 86 -6.635 -5.968 1.718 710 2HD1 ILE 86 2HD1 ILE 86 -6.462 -4.593 0.630 711 3HD1 ILE 86 3HD1 ILE 86 -7.710 -4.581 1.871 712 H CYS 87 H CYS 87 -6.655 -3.978 5.682 713 HA CYS 87 HA CYS 87 -9.490 -3.808 4.732 714 1HB CYS 87 2HB CYS 87 -9.419 -2.345 7.068 715 2HB CYS 87 1HB CYS 87 -9.943 -4.019 6.960 716 H ILE 88 H ILE 88 -10.015 -1.923 3.690 717 HA ILE 88 HA ILE 88 -8.360 0.490 4.167 718 HB ILE 88 HB ILE 88 -7.105 -0.039 2.337 719 1HG1 ILE 88 2HG1 ILE 88 -9.608 0.532 0.732 720 2HG1 ILE 88 1HG1 ILE 88 -8.708 1.798 1.563 721 1HG2 ILE 88 1HG2 ILE 88 -9.400 -1.803 1.444 722 2HG2 ILE 88 2HG2 ILE 88 -7.910 -2.326 2.223 723 3HG2 ILE 88 3HG2 ILE 88 -7.864 -1.662 0.591 724 1HD1 ILE 88 1HD1 ILE 88 -7.290 1.909 -0.175 725 2HD1 ILE 88 2HD1 ILE 88 -8.142 0.591 -0.975 726 3HD1 ILE 88 3HD1 ILE 88 -6.807 0.239 0.118 727 H THR 89 H THR 89 -9.434 2.446 3.512 728 HA THR 89 HA THR 89 -12.375 2.121 3.312 729 HB THR 89 HB THR 89 -10.575 4.452 3.968 730 HG1 THR 89 1HG THR 89 -12.733 3.304 5.383 731 1HG2 THR 89 1HG2 THR 89 -12.254 5.491 2.672 732 2HG2 THR 89 2HG2 THR 89 -12.818 5.658 4.335 733 3HG2 THR 89 3HG2 THR 89 -13.509 4.417 3.290 734 H CYS 90 H CYS 90 -13.439 2.483 1.450 735 HA CYS 90 HA CYS 90 -12.004 3.877 -0.782 736 1HB CYS 90 2HB CYS 90 -12.663 1.207 -0.730 737 2HB CYS 90 1HB CYS 90 -14.073 1.900 -1.526 738 H VAL 91 H VAL 91 -13.317 5.230 -2.105 739 HA VAL 91 HA VAL 91 -15.797 6.146 -0.793 740 HB VAL 91 HB VAL 91 -14.718 7.324 -3.342 741 1HG1 VAL 91 1HG1 VAL 91 -15.725 8.740 -0.872 742 2HG1 VAL 91 2HG1 VAL 91 -16.850 8.068 -2.048 743 3HG1 VAL 91 3HG1 VAL 91 -15.706 9.314 -2.539 744 1HG2 VAL 91 1HG2 VAL 91 -13.269 8.771 -1.806 745 2HG2 VAL 91 2HG2 VAL 91 -12.705 7.122 -2.073 746 3HG2 VAL 91 3HG2 VAL 91 -13.527 7.540 -0.570 747 H ASN 92 H ASN 92 -16.922 7.109 -3.375 748 HA ASN 92 HA ASN 92 -18.768 5.115 -3.928 749 1HB ASN 92 2HB ASN 92 -17.631 7.252 -5.728 750 2HB ASN 92 1HB ASN 92 -18.963 6.208 -6.229 751 1HD2 ASN 92 1HD2 ASN 92 -20.699 6.056 -4.217 752 2HD2 ASN 92 2HD2 ASN 92 -21.163 7.577 -3.623 753 H GLN 93 H GLN 93 -15.515 5.348 -5.007 754 HA GLN 93 HA GLN 93 -15.266 2.631 -5.724 755 1HB GLN 93 2HB GLN 93 -15.086 2.978 -8.270 756 2HB GLN 93 1HB GLN 93 -16.710 2.903 -7.591 757 1HG GLN 93 2HG GLN 93 -17.004 5.249 -7.736 758 2HG GLN 93 1HG GLN 93 -15.275 5.538 -7.930 759 1HE2 GLN 93 1HE2 GLN 93 -16.865 2.916 -9.685 760 2HE2 GLN 93 2HE2 GLN 93 -16.764 3.639 -11.218 761 H LEU 94 H LEU 94 -13.745 4.696 -4.440 762 HA LEU 94 HA LEU 94 -11.252 4.512 -6.053 763 1HB LEU 94 2HB LEU 94 -12.764 6.934 -5.557 764 2HB LEU 94 1HB LEU 94 -11.180 7.052 -4.796 765 HG LEU 94 HG LEU 94 -10.146 6.344 -6.975 766 1HD1 LEU 94 1HD1 LEU 94 -13.021 6.182 -7.708 767 2HD1 LEU 94 2HD1 LEU 94 -11.639 5.295 -8.350 768 3HD1 LEU 94 3HD1 LEU 94 -11.968 6.933 -8.906 769 1HD2 LEU 94 1HD2 LEU 94 -10.302 8.525 -7.964 770 2HD2 LEU 94 2HD2 LEU 94 -10.491 8.756 -6.225 771 3HD2 LEU 94 3HD2 LEU 94 -11.905 8.791 -7.278 772 HA PRO 95 HA PRO 95 -10.045 3.431 -1.814 773 1HB PRO 95 2HB PRO 95 -7.570 2.490 -2.376 774 2HB PRO 95 1HB PRO 95 -9.035 1.577 -2.790 775 1HG PRO 95 2HG PRO 95 -7.292 3.245 -4.536 776 2HG PRO 95 1HG PRO 95 -8.069 1.689 -4.872 777 1HD PRO 95 2HD PRO 95 -9.063 4.123 -5.729 778 2HD PRO 95 1HD PRO 95 -10.060 2.669 -5.490 779 H ILE 96 H ILE 96 -9.161 4.820 -0.256 780 HA ILE 96 HA ILE 96 -6.909 6.558 -1.118 781 HB ILE 96 HB ILE 96 -8.045 8.523 -0.077 782 1HG1 ILE 96 2HG1 ILE 96 -10.715 7.986 -0.123 783 2HG1 ILE 96 1HG1 ILE 96 -10.113 6.416 0.402 784 1HG2 ILE 96 1HG2 ILE 96 -8.173 7.733 -2.588 785 2HG2 ILE 96 2HG2 ILE 96 -9.205 9.050 -2.037 786 3HG2 ILE 96 3HG2 ILE 96 -9.865 7.424 -2.207 787 1HD1 ILE 96 1HD1 ILE 96 -8.701 7.805 2.106 788 2HD1 ILE 96 2HD1 ILE 96 -10.414 7.550 2.425 789 3HD1 ILE 96 3HD1 ILE 96 -9.861 9.085 1.759 790 H HIS 97 H HIS 97 -8.562 4.871 1.510 791 HA HIS 97 HA HIS 97 -6.314 5.815 3.276 792 1HB HIS 97 2HB HIS 97 -9.094 6.116 3.693 793 2HB HIS 97 1HB HIS 97 -8.571 4.857 4.813 794 HD1 HIS 97 1HD HIS 97 -7.156 5.561 6.798 795 HD2 HIS 97 2HD HIS 97 -7.688 8.650 4.045 796 HE1 HIS 97 1HE HIS 97 -6.239 7.658 7.886 797 HE2 HIS 97 2HE HIS 97 -6.557 9.543 6.219 798 H PHE 98 H PHE 98 -5.035 4.258 4.084 799 HA PHE 98 HA PHE 98 -5.788 1.424 3.609 800 1HB PHE 98 2HB PHE 98 -3.574 2.056 2.832 801 2HB PHE 98 1HB PHE 98 -3.172 2.739 4.406 802 HD1 PHE 98 1HD PHE 98 -2.070 1.403 5.984 803 HD2 PHE 98 2HD PHE 98 -4.310 -0.470 2.832 804 HE1 PHE 98 1HE PHE 98 -1.271 -0.820 6.737 805 HE2 PHE 98 2HE PHE 98 -3.510 -2.692 3.585 806 HZ PHE 98 HZ PHE 98 -1.990 -2.867 5.537 807 H ALA 99 H ALA 99 -6.942 0.572 5.286 808 HA ALA 99 HA ALA 99 -6.909 1.578 7.962 809 1HB ALA 99 1HB ALA 99 -7.568 -1.290 7.437 810 2HB ALA 99 2HB ALA 99 -8.573 -0.059 6.680 811 3HB ALA 99 3HB ALA 99 -8.419 -0.117 8.436 812 H GLY 100 H GLY 100 -5.893 -1.748 7.161 813 1HA GLY 100 2HA GLY 100 -3.239 -1.354 8.319 814 2HA GLY 100 1HA GLY 100 -4.325 -2.280 9.357 815 H VAL 101 H VAL 101 -2.893 -4.137 9.029 816 HA VAL 101 HA VAL 101 -3.033 -5.330 6.292 817 HB VAL 101 HB VAL 101 -1.175 -6.735 6.964 818 1HG1 VAL 101 1HG1 VAL 101 0.501 -4.949 7.593 819 2HG1 VAL 101 2HG1 VAL 101 -0.852 -3.832 7.769 820 3HG1 VAL 101 3HG1 VAL 101 -0.502 -4.553 6.198 821 1HG2 VAL 101 1HG2 VAL 101 -0.194 -6.326 9.302 822 2HG2 VAL 101 2HG2 VAL 101 -1.691 -7.256 9.234 823 3HG2 VAL 101 3HG2 VAL 101 -1.731 -5.554 9.694 824 H GLY 102 H GLY 102 -3.533 -7.641 6.162 825 1HA GLY 102 2HA GLY 102 -4.633 -9.616 6.837 826 2HA GLY 102 1HA GLY 102 -4.669 -8.989 8.483 827 H SER 103 H SER 103 -6.473 -7.735 9.147 828 HA SER 103 HA SER 103 -8.530 -6.916 7.279 829 1HB SER 103 2HB SER 103 -9.273 -9.167 9.155 830 2HB SER 103 1HB SER 103 -10.246 -8.480 7.859 831 HG SER 103 HG SER 103 -8.140 -10.289 7.771 832 H CYS 104 H CYS 104 -9.881 -5.413 8.246 833 HA CYS 104 HA CYS 104 -9.362 -4.887 11.139 834 1HB CYS 104 2HB CYS 104 -10.468 -3.074 8.981 835 2HB CYS 104 1HB CYS 104 -10.248 -2.612 10.666 836 HA PRO 105 HA PRO 105 -13.504 -6.156 12.082 837 1HB PRO 105 2HB PRO 105 -13.981 -4.649 14.327 838 2HB PRO 105 1HB PRO 105 -12.931 -6.080 14.316 839 1HG PRO 105 2HG PRO 105 -12.196 -3.193 14.211 840 2HG PRO 105 1HG PRO 105 -11.429 -4.521 15.100 841 1HD PRO 105 2HD PRO 105 -10.414 -3.549 12.761 842 2HD PRO 105 1HD PRO 105 -10.230 -5.248 13.251 Start of MODEL 20 1 HN PCA 1 H PCA 1 -6.366 9.158 0.915 2 HA PCA 1 HA PCA 1 -7.809 11.236 1.643 3 1HB PCA 1 1HB PCA 1 -6.416 12.668 2.729 4 2HB PCA 1 2HB PCA 1 -5.834 13.146 1.151 5 1HG PCA 1 1HG PCA 1 -4.429 11.894 3.041 6 2HG PCA 1 2HG PCA 1 -4.079 11.864 1.297 7 H ASP 2 H ASP 2 -6.004 9.949 -0.834 8 HA ASP 2 HA ASP 2 -7.743 11.109 -2.830 9 1HB ASP 2 2HB ASP 2 -4.967 12.205 -2.467 10 2HB ASP 2 1HB ASP 2 -5.613 12.051 -4.102 11 H TRP 3 H TRP 3 -7.967 9.475 -4.280 12 HA TRP 3 HA TRP 3 -6.569 7.064 -4.206 13 1HB TRP 3 2HB TRP 3 -8.552 7.020 -5.448 14 2HB TRP 3 1HB TRP 3 -8.117 8.454 -6.371 15 HD1 TRP 3 HD TRP 3 -7.995 7.663 -8.773 16 HE1 TRP 3 1HE TRP 3 -6.753 5.798 -10.041 17 HE3 TRP 3 3HE TRP 3 -5.972 5.082 -4.835 18 HZ2 TRP 3 2HZ TRP 3 -5.130 3.523 -9.474 19 HZ3 TRP 3 3HZ TRP 3 -4.588 3.077 -5.240 20 HH2 TRP 3 HH TRP 3 -4.163 2.291 -7.552 21 H GLU 4 H GLU 4 -5.674 10.048 -5.839 22 HA GLU 4 HA GLU 4 -3.639 8.978 -7.535 23 1HB GLU 4 2HB GLU 4 -4.480 11.303 -7.720 24 2HB GLU 4 1HB GLU 4 -3.729 11.688 -6.170 25 1HG GLU 4 2HG GLU 4 -1.522 11.258 -7.054 26 2HG GLU 4 1HG GLU 4 -2.195 10.635 -8.561 27 H THR 5 H THR 5 -2.802 10.980 -4.707 28 HA THR 5 HA THR 5 -0.243 9.898 -4.339 29 HB THR 5 HB THR 5 -1.118 11.879 -3.120 30 HG1 THR 5 1HG THR 5 0.006 11.424 -1.256 31 1HG2 THR 5 1HG2 THR 5 -2.416 9.971 -1.190 32 2HG2 THR 5 2HG2 THR 5 -3.315 10.602 -2.567 33 3HG2 THR 5 3HG2 THR 5 -2.664 11.709 -1.359 34 H PHE 6 H PHE 6 -3.297 8.826 -2.816 35 HA PHE 6 HA PHE 6 -2.320 6.713 -1.264 36 1HB PHE 6 2HB PHE 6 -4.760 7.535 -1.609 37 2HB PHE 6 1HB PHE 6 -4.797 6.407 -2.962 38 HD1 PHE 6 1HD PHE 6 -4.051 6.626 0.694 39 HD2 PHE 6 2HD PHE 6 -5.181 4.111 -2.599 40 HE1 PHE 6 1HE PHE 6 -4.466 4.756 2.263 41 HE2 PHE 6 2HE PHE 6 -5.596 2.240 -1.029 42 HZ PHE 6 HZ PHE 6 -5.243 2.562 1.402 43 H GLN 7 H GLN 7 -2.473 7.035 -4.715 44 HA GLN 7 HA GLN 7 -1.938 4.163 -5.165 45 1HB GLN 7 2HB GLN 7 -3.414 5.531 -6.700 46 2HB GLN 7 1HB GLN 7 -1.978 6.417 -7.194 47 1HG GLN 7 2HG GLN 7 -2.095 3.406 -7.340 48 2HG GLN 7 1HG GLN 7 -2.709 4.411 -8.649 49 1HE2 GLN 7 1HE2 GLN 7 -0.427 6.431 -7.767 50 2HE2 GLN 7 2HE2 GLN 7 0.935 5.803 -8.560 51 H LYS 8 H LYS 8 -0.244 7.151 -4.764 52 HA LYS 8 HA LYS 8 2.188 6.168 -6.117 53 1HB LYS 8 2HB LYS 8 1.839 8.688 -4.481 54 2HB LYS 8 1HB LYS 8 3.100 8.349 -5.665 55 1HG LYS 8 2HG LYS 8 0.219 8.235 -6.525 56 2HG LYS 8 1HG LYS 8 1.003 9.802 -6.352 57 1HD LYS 8 2HD LYS 8 2.747 9.163 -7.921 58 2HD LYS 8 1HD LYS 8 2.109 7.522 -8.015 59 1HE LYS 8 2HE LYS 8 0.101 8.268 -9.091 60 2HE LYS 8 1HE LYS 8 0.475 9.959 -8.757 61 1HZ LYS 8 1HZ LYS 8 0.968 9.149 -11.072 62 2HZ LYS 8 2HZ LYS 8 2.231 8.232 -10.401 63 3HZ LYS 8 3HZ LYS 8 2.248 9.927 -10.275 64 H LYS 9 H LYS 9 1.358 7.167 -2.751 65 HA LYS 9 HA LYS 9 3.919 6.109 -1.811 66 1HB LYS 9 2HB LYS 9 2.745 6.645 0.488 67 2HB LYS 9 1HB LYS 9 3.299 7.954 -0.554 68 1HG LYS 9 2HG LYS 9 1.137 8.479 -1.279 69 2HG LYS 9 1HG LYS 9 0.505 6.885 -0.869 70 1HD LYS 9 2HD LYS 9 0.663 7.371 1.507 71 2HD LYS 9 1HD LYS 9 1.462 8.908 1.176 72 1HE LYS 9 2HE LYS 9 -0.494 9.892 0.335 73 2HE LYS 9 1HE LYS 9 -1.252 8.334 0.007 74 1HZ LYS 9 1HZ LYS 9 -0.804 8.256 2.674 75 2HZ LYS 9 2HZ LYS 9 -2.284 8.651 1.939 76 3HZ LYS 9 3HZ LYS 9 -1.218 9.881 2.426 77 H HIS 10 H HIS 10 0.497 5.212 -1.120 78 HA HIS 10 HA HIS 10 1.277 2.863 0.371 79 1HB HIS 10 2HB HIS 10 -1.343 3.723 -0.862 80 2HB HIS 10 1HB HIS 10 -1.163 2.223 0.046 81 HD1 HIS 10 1HD HIS 10 -0.692 2.407 2.598 82 HD2 HIS 10 2HD HIS 10 -1.220 6.093 0.718 83 HE1 HIS 10 1HE HIS 10 -0.966 4.121 4.444 84 HE2 HIS 10 2HE HIS 10 -1.288 6.368 3.311 85 H LEU 11 H LEU 11 0.828 3.409 -3.069 86 HA LEU 11 HA LEU 11 1.029 0.437 -3.449 87 1HB LEU 11 2HB LEU 11 -0.380 2.590 -4.957 88 2HB LEU 11 1HB LEU 11 0.280 1.248 -5.887 89 HG LEU 11 HG LEU 11 -0.936 -0.352 -4.490 90 1HD1 LEU 11 1HD1 LEU 11 -2.708 0.721 -2.918 91 2HD1 LEU 11 2HD1 LEU 11 -1.683 2.155 -2.988 92 3HD1 LEU 11 3HD1 LEU 11 -1.041 0.641 -2.357 93 1HD2 LEU 11 1HD2 LEU 11 -3.272 0.367 -5.108 94 2HD2 LEU 11 2HD2 LEU 11 -2.115 0.460 -6.435 95 3HD2 LEU 11 3HD2 LEU 11 -2.602 1.927 -5.587 96 H THR 12 H THR 12 2.496 -0.363 -5.003 97 HA THR 12 HA THR 12 4.465 1.614 -6.083 98 HB THR 12 HB THR 12 5.610 0.731 -4.183 99 HG1 THR 12 1HG THR 12 7.136 0.566 -5.615 100 1HG2 THR 12 1HG2 THR 12 4.923 -1.209 -3.270 101 2HG2 THR 12 2HG2 THR 12 5.692 -2.068 -4.602 102 3HG2 THR 12 3HG2 THR 12 3.996 -1.605 -4.715 103 H ASP 13 H ASP 13 6.106 -0.128 -7.455 104 HA ASP 13 HA ASP 13 4.185 -1.515 -9.293 105 1HB ASP 13 2HB ASP 13 5.846 -0.960 -11.100 106 2HB ASP 13 1HB ASP 13 5.059 0.449 -10.388 107 H THR 14 H THR 14 6.158 -2.438 -6.974 108 HA THR 14 HA THR 14 6.964 -4.859 -8.454 109 HB THR 14 HB THR 14 8.870 -3.313 -8.805 110 HG1 THR 14 1HG THR 14 10.041 -5.023 -8.606 111 1HG2 THR 14 1HG2 THR 14 8.475 -2.015 -6.690 112 2HG2 THR 14 2HG2 THR 14 10.156 -2.492 -6.928 113 3HG2 THR 14 3HG2 THR 14 9.140 -3.379 -5.792 114 H LYS 15 H LYS 15 7.368 -6.633 -7.063 115 HA LYS 15 HA LYS 15 6.105 -6.460 -4.456 116 1HB LYS 15 2HB LYS 15 7.227 -8.887 -4.357 117 2HB LYS 15 1HB LYS 15 5.795 -8.579 -5.338 118 1HG LYS 15 2HG LYS 15 8.483 -8.097 -6.577 119 2HG LYS 15 1HG LYS 15 7.946 -9.763 -6.380 120 1HD LYS 15 2HD LYS 15 6.039 -7.770 -7.567 121 2HD LYS 15 1HD LYS 15 7.335 -8.410 -8.576 122 1HE LYS 15 2HE LYS 15 6.606 -10.709 -8.074 123 2HE LYS 15 1HE LYS 15 5.317 -10.081 -7.047 124 1HZ LYS 15 1HZ LYS 15 5.111 -10.592 -9.701 125 2HZ LYS 15 2HZ LYS 15 5.349 -8.910 -9.666 126 3HZ LYS 15 3HZ LYS 15 4.061 -9.607 -8.805 127 H LYS 16 H LYS 16 9.227 -5.820 -5.609 128 HA LYS 16 HA LYS 16 10.332 -5.966 -2.827 129 1HB LYS 16 2HB LYS 16 11.791 -6.399 -5.453 130 2HB LYS 16 1HB LYS 16 12.544 -6.394 -3.858 131 1HG LYS 16 2HG LYS 16 11.583 -8.421 -3.242 132 2HG LYS 16 1HG LYS 16 10.218 -8.229 -4.342 133 1HD LYS 16 2HD LYS 16 11.509 -8.825 -6.234 134 2HD LYS 16 1HD LYS 16 13.032 -8.583 -5.376 135 1HE LYS 16 2HE LYS 16 12.760 -10.558 -4.099 136 2HE LYS 16 1HE LYS 16 11.040 -10.667 -4.479 137 1HZ LYS 16 1HZ LYS 16 12.838 -12.105 -5.734 138 2HZ LYS 16 2HZ LYS 16 12.921 -10.718 -6.712 139 3HZ LYS 16 3HZ LYS 16 11.445 -11.536 -6.516 140 H VAL 17 H VAL 17 9.184 -3.686 -3.133 141 HA VAL 17 HA VAL 17 10.246 -1.648 -4.742 142 HB VAL 17 HB VAL 17 9.508 -0.067 -3.010 143 1HG1 VAL 17 1HG1 VAL 17 7.224 -0.594 -3.120 144 2HG1 VAL 17 2HG1 VAL 17 7.528 -2.327 -3.017 145 3HG1 VAL 17 3HG1 VAL 17 7.908 -1.454 -4.499 146 1HG2 VAL 17 1HG2 VAL 17 10.225 -1.020 -0.969 147 2HG2 VAL 17 2HG2 VAL 17 9.481 -2.577 -1.332 148 3HG2 VAL 17 3HG2 VAL 17 8.471 -1.194 -0.915 149 H LYS 18 H LYS 18 11.569 0.226 -3.856 150 HA LYS 18 HA LYS 18 14.047 -0.894 -2.648 151 1HB LYS 18 2HB LYS 18 14.898 1.486 -3.409 152 2HB LYS 18 1HB LYS 18 14.675 0.218 -4.616 153 1HG LYS 18 2HG LYS 18 12.490 1.092 -5.215 154 2HG LYS 18 1HG LYS 18 12.566 2.277 -3.910 155 1HD LYS 18 2HD LYS 18 13.143 3.338 -6.047 156 2HD LYS 18 1HD LYS 18 14.548 3.311 -4.983 157 1HE LYS 18 2HE LYS 18 14.129 1.024 -6.882 158 2HE LYS 18 1HE LYS 18 14.778 2.542 -7.500 159 1HZ LYS 18 1HZ LYS 18 16.109 1.973 -5.125 160 2HZ LYS 18 2HZ LYS 18 16.741 1.964 -6.702 161 3HZ LYS 18 3HZ LYS 18 16.098 0.540 -6.032 162 H CYS 19 H CYS 19 12.550 -0.833 -0.650 163 HA CYS 19 HA CYS 19 11.478 1.222 0.706 164 1HB CYS 19 2HB CYS 19 13.424 -0.845 1.723 165 2HB CYS 19 1HB CYS 19 12.646 0.302 2.814 166 H ASP 20 H ASP 20 14.972 0.860 0.199 167 HA ASP 20 HA ASP 20 15.991 2.822 1.900 168 1HB ASP 20 2HB ASP 20 17.293 1.337 0.294 169 2HB ASP 20 1HB ASP 20 16.884 2.493 -0.974 170 H VAL 21 H VAL 21 14.493 3.261 -1.282 171 HA VAL 21 HA VAL 21 14.547 6.213 -0.855 172 HB VAL 21 HB VAL 21 13.614 4.916 -3.394 173 1HG1 VAL 21 1HG1 VAL 21 13.465 7.302 -3.350 174 2HG1 VAL 21 2HG1 VAL 21 14.884 6.923 -4.319 175 3HG1 VAL 21 3HG1 VAL 21 15.075 7.461 -2.652 176 1HG2 VAL 21 1HG2 VAL 21 16.488 5.160 -2.467 177 2HG2 VAL 21 2HG2 VAL 21 16.028 4.924 -4.153 178 3HG2 VAL 21 3HG2 VAL 21 15.645 3.689 -2.953 179 H GLU 22 H GLU 22 12.419 3.437 -1.372 180 HA GLU 22 HA GLU 22 9.963 4.774 -1.751 181 1HB GLU 22 2HB GLU 22 10.771 2.131 -1.280 182 2HB GLU 22 1HB GLU 22 9.689 2.500 0.063 183 1HG GLU 22 2HG GLU 22 9.065 2.822 -2.888 184 2HG GLU 22 1HG GLU 22 8.389 1.608 -1.802 185 H MET 23 H MET 23 12.097 4.968 0.822 186 HA MET 23 HA MET 23 9.983 6.144 2.591 187 1HB MET 23 2HB MET 23 12.454 4.618 3.462 188 2HB MET 23 1HB MET 23 11.270 5.362 4.535 189 1HG MET 23 2HG MET 23 9.521 3.883 3.682 190 2HG MET 23 1HG MET 23 10.651 3.180 2.525 191 1HE MET 23 1HE MET 23 11.554 4.068 6.476 192 2HE MET 23 2HE MET 23 10.456 2.810 7.038 193 3HE MET 23 3HE MET 23 9.856 4.087 5.984 194 H ALA 24 H ALA 24 13.486 6.095 1.850 195 HA ALA 24 HA ALA 24 14.034 8.562 3.221 196 1HB ALA 24 1HB ALA 24 16.179 8.491 2.141 197 2HB ALA 24 2HB ALA 24 15.566 7.443 0.861 198 3HB ALA 24 3HB ALA 24 15.739 6.822 2.502 199 H LYS 25 H LYS 25 12.008 8.094 0.736 200 HA LYS 25 HA LYS 25 12.651 9.951 -1.282 201 1HB LYS 25 2HB LYS 25 10.118 8.866 -0.129 202 2HB LYS 25 1HB LYS 25 9.973 10.306 -1.131 203 1HG LYS 25 2HG LYS 25 10.499 9.191 -3.052 204 2HG LYS 25 1HG LYS 25 11.710 8.189 -2.262 205 1HD LYS 25 2HD LYS 25 9.979 6.691 -2.875 206 2HD LYS 25 1HD LYS 25 9.749 6.963 -1.148 207 1HE LYS 25 2HE LYS 25 7.580 7.202 -2.081 208 2HE LYS 25 1HE LYS 25 8.144 8.856 -1.842 209 1HZ LYS 25 1HZ LYS 25 8.746 7.560 -4.393 210 2HZ LYS 25 2HZ LYS 25 8.407 9.191 -4.057 211 3HZ LYS 25 3HZ LYS 25 7.146 8.053 -4.124 212 H ALA 26 H ALA 26 10.760 11.965 -1.299 213 HA ALA 26 HA ALA 26 11.718 13.719 0.916 214 1HB ALA 26 1HB ALA 26 12.065 14.428 -1.481 215 2HB ALA 26 2HB ALA 26 11.139 15.579 -0.519 216 3HB ALA 26 3HB ALA 26 10.311 14.509 -1.651 217 H LEU 27 H LEU 27 8.987 11.968 -0.145 218 HA LEU 27 HA LEU 27 7.085 13.766 1.265 219 1HB LEU 27 2HB LEU 27 5.360 12.646 0.148 220 2HB LEU 27 1HB LEU 27 6.664 12.581 -1.032 221 HG LEU 27 HG LEU 27 7.261 10.305 0.158 222 1HD1 LEU 27 1HD1 LEU 27 4.654 9.433 0.593 223 2HD1 LEU 27 2HD1 LEU 27 4.675 11.013 1.367 224 3HD1 LEU 27 3HD1 LEU 27 5.840 9.782 1.846 225 1HD2 LEU 27 1HD2 LEU 27 6.526 10.543 -2.186 226 2HD2 LEU 27 2HD2 LEU 27 4.845 10.611 -1.657 227 3HD2 LEU 27 3HD2 LEU 27 5.779 9.131 -1.439 228 H PHE 28 H PHE 28 9.153 11.298 2.049 229 HA PHE 28 HA PHE 28 7.379 10.355 4.277 230 1HB PHE 28 2HB PHE 28 9.361 8.938 2.543 231 2HB PHE 28 1HB PHE 28 9.235 8.424 4.220 232 HD1 PHE 28 1HD PHE 28 8.012 7.802 1.018 233 HD2 PHE 28 2HD PHE 28 6.646 8.294 5.063 234 HE1 PHE 28 1HE PHE 28 5.956 6.526 0.480 235 HE2 PHE 28 2HE PHE 28 4.589 7.019 4.523 236 HZ PHE 28 HZ PHE 28 4.244 6.135 2.232 237 H ASP 29 H ASP 29 10.743 11.133 3.375 238 HA ASP 29 HA ASP 29 12.338 12.315 4.655 239 1HB ASP 29 2HB ASP 29 10.114 13.127 5.905 240 2HB ASP 29 1HB ASP 29 10.749 12.089 7.181 241 H CYS 30 H CYS 30 12.258 9.466 4.288 242 HA CYS 30 HA CYS 30 13.216 7.503 5.141 243 1HB CYS 30 2HB CYS 30 14.922 9.732 5.695 244 2HB CYS 30 1HB CYS 30 15.019 8.639 7.072 245 H LYS 31 H LYS 31 10.976 7.316 6.270 246 HA LYS 31 HA LYS 31 10.782 7.876 9.094 247 1HB LYS 31 2HB LYS 31 9.290 5.749 7.534 248 2HB LYS 31 1HB LYS 31 8.783 6.501 9.040 249 1HG LYS 31 2HG LYS 31 9.128 7.919 6.384 250 2HG LYS 31 1HG LYS 31 7.587 7.469 7.102 251 1HD LYS 31 2HD LYS 31 9.589 9.482 8.164 252 2HD LYS 31 1HD LYS 31 7.960 9.800 7.579 253 1HE LYS 31 2HE LYS 31 8.804 8.478 10.148 254 2HE LYS 31 1HE LYS 31 7.673 9.806 9.904 255 1HZ LYS 31 1HZ LYS 31 7.130 7.128 8.791 256 2HZ LYS 31 2HZ LYS 31 6.038 8.386 9.121 257 3HZ LYS 31 3HZ LYS 31 6.730 7.501 10.396 258 H LYS 32 H LYS 32 9.768 5.015 9.566 259 HA LYS 32 HA LYS 32 12.400 3.630 9.851 260 1HB LYS 32 2HB LYS 32 11.767 2.958 12.148 261 2HB LYS 32 1HB LYS 32 11.898 4.711 12.008 262 1HG LYS 32 2HG LYS 32 9.414 4.797 11.623 263 2HG LYS 32 1HG LYS 32 9.351 3.070 11.979 264 1HD LYS 32 2HD LYS 32 10.411 5.203 13.858 265 2HD LYS 32 1HD LYS 32 8.830 4.431 13.985 266 1HE LYS 32 2HE LYS 32 10.205 2.201 13.982 267 2HE LYS 32 1HE LYS 32 11.555 3.241 14.441 268 1HZ LYS 32 1HZ LYS 32 9.028 2.756 15.888 269 2HZ LYS 32 2HZ LYS 32 9.960 4.143 16.193 270 3HZ LYS 32 3HZ LYS 32 10.619 2.599 16.451 271 H THR 33 H THR 33 8.886 3.467 9.701 272 HA THR 33 HA THR 33 9.122 0.625 8.802 273 HB THR 33 HB THR 33 8.269 0.677 11.141 274 HG1 THR 33 1HG THR 33 6.073 -0.211 10.453 275 1HG2 THR 33 1HG2 THR 33 5.896 2.182 10.028 276 2HG2 THR 33 2HG2 THR 33 7.239 2.993 10.834 277 3HG2 THR 33 3HG2 THR 33 6.257 1.823 11.716 278 H ASN 34 H ASN 34 7.670 0.101 7.088 279 HA ASN 34 HA ASN 34 5.660 2.092 6.281 280 1HB ASN 34 2HB ASN 34 8.060 2.708 5.375 281 2HB ASN 34 1HB ASN 34 7.727 1.431 4.207 282 1HD2 ASN 34 1HD2 ASN 34 7.764 4.559 4.045 283 2HD2 ASN 34 2HD2 ASN 34 6.310 4.918 3.248 284 H THR 35 H THR 35 4.231 1.295 4.657 285 HA THR 35 HA THR 35 4.599 -1.543 3.826 286 HB THR 35 HB THR 35 2.180 -0.380 5.238 287 HG1 THR 35 1HG THR 35 4.246 -2.085 5.861 288 1HG2 THR 35 1HG2 THR 35 2.512 -2.900 3.609 289 2HG2 THR 35 2HG2 THR 35 1.257 -1.669 3.472 290 3HG2 THR 35 3HG2 THR 35 1.278 -2.758 4.860 291 H PHE 36 H PHE 36 3.354 -2.079 1.902 292 HA PHE 36 HA PHE 36 1.884 0.135 0.587 293 1HB PHE 36 2HB PHE 36 3.948 -1.175 -1.135 294 2HB PHE 36 1HB PHE 36 3.273 0.446 -1.232 295 HD1 PHE 36 1HD PHE 36 5.938 -1.625 0.096 296 HD2 PHE 36 2HD PHE 36 4.045 2.210 0.385 297 HE1 PHE 36 1HE PHE 36 7.941 -0.730 1.228 298 HE2 PHE 36 2HE PHE 36 6.055 3.113 1.519 299 HZ PHE 36 HZ PHE 36 8.009 1.639 1.928 300 H ILE 37 H ILE 37 1.218 -0.824 -1.766 301 HA ILE 37 HA ILE 37 0.522 -3.711 -1.397 302 HB ILE 37 HB ILE 37 -1.277 -1.595 -2.596 303 1HG1 ILE 37 2HG1 ILE 37 -1.953 -2.925 -0.004 304 2HG1 ILE 37 1HG1 ILE 37 -0.713 -1.680 0.055 305 1HG2 ILE 37 1HG2 ILE 37 -2.988 -3.398 -2.343 306 2HG2 ILE 37 2HG2 ILE 37 -1.707 -4.491 -1.818 307 3HG2 ILE 37 3HG2 ILE 37 -1.688 -3.832 -3.454 308 1HD1 ILE 37 1HD1 ILE 37 -3.198 -1.045 -1.469 309 2HD1 ILE 37 2HD1 ILE 37 -2.172 0.007 -0.493 310 3HD1 ILE 37 3HD1 ILE 37 -3.307 -1.088 0.291 311 H TYR 38 H TYR 38 0.944 -4.981 -3.167 312 HA TYR 38 HA TYR 38 1.975 -3.582 -5.597 313 1HB TYR 38 2HB TYR 38 3.419 -5.330 -4.675 314 2HB TYR 38 1HB TYR 38 2.101 -6.497 -4.770 315 HD1 TYR 38 1HD TYR 38 3.816 -4.005 -6.994 316 HD2 TYR 38 2HD TYR 38 2.079 -7.917 -6.615 317 HE1 TYR 38 1HE TYR 38 4.425 -4.504 -9.346 318 HE2 TYR 38 2HE TYR 38 2.689 -8.415 -8.967 319 HH TYR 38 HH TYR 38 4.324 -5.978 -10.996 320 H ALA 39 H ALA 39 0.219 -3.054 -6.873 321 HA ALA 39 HA ALA 39 -1.291 -5.274 -8.056 322 1HB ALA 39 1HB ALA 39 -3.497 -4.406 -7.470 323 2HB ALA 39 2HB ALA 39 -2.765 -3.071 -6.580 324 3HB ALA 39 3HB ALA 39 -2.589 -4.724 -5.993 325 H LEU 40 H LEU 40 -2.503 -4.548 -9.967 326 HA LEU 40 HA LEU 40 -1.257 -2.145 -11.149 327 1HB LEU 40 2HB LEU 40 -1.541 -3.151 -13.183 328 2HB LEU 40 1HB LEU 40 -1.649 -4.597 -12.188 329 HG LEU 40 HG LEU 40 -4.243 -3.903 -12.126 330 1HD1 LEU 40 1HD1 LEU 40 -3.629 -1.853 -13.557 331 2HD1 LEU 40 2HD1 LEU 40 -4.970 -2.839 -14.127 332 3HD1 LEU 40 3HD1 LEU 40 -3.384 -2.992 -14.877 333 1HD2 LEU 40 1HD2 LEU 40 -3.500 -6.055 -12.909 334 2HD2 LEU 40 2HD2 LEU 40 -2.764 -5.341 -14.343 335 3HD2 LEU 40 3HD2 LEU 40 -4.518 -5.370 -14.176 336 HA PRO 41 HA PRO 41 -4.450 0.812 -10.552 337 1HB PRO 41 2HB PRO 41 -4.675 0.931 -13.528 338 2HB PRO 41 1HB PRO 41 -4.449 2.246 -12.360 339 1HG PRO 41 2HG PRO 41 -2.459 1.166 -13.911 340 2HG PRO 41 1HG PRO 41 -2.200 2.049 -12.402 341 1HD PRO 41 2HD PRO 41 -1.733 -0.763 -12.928 342 2HD PRO 41 1HD PRO 41 -1.389 0.151 -11.445 343 H GLY 42 H GLY 42 -5.227 -1.175 -13.433 344 1HA GLY 42 2HA GLY 42 -8.014 -1.007 -13.313 345 2HA GLY 42 1HA GLY 42 -7.167 -2.426 -13.920 346 H ARG 43 H ARG 43 -5.995 -3.487 -11.712 347 HA ARG 43 HA ARG 43 -8.150 -4.795 -10.382 348 1HB ARG 43 2HB ARG 43 -5.204 -4.597 -9.715 349 2HB ARG 43 1HB ARG 43 -6.331 -5.639 -8.843 350 1HG ARG 43 2HG ARG 43 -6.948 -6.680 -11.062 351 2HG ARG 43 1HG ARG 43 -5.621 -5.770 -11.785 352 1HD ARG 43 2HD ARG 43 -4.001 -6.880 -10.383 353 2HD ARG 43 1HD ARG 43 -5.274 -7.649 -9.434 354 HE ARG 43 HE ARG 43 -5.394 -8.318 -12.273 355 1HH1 ARG 43 1HH2 ARG 43 -4.033 -8.999 -9.179 356 2HH1 ARG 43 2HH2 ARG 43 -3.683 -10.654 -9.549 357 1HH2 ARG 43 1HH1 ARG 43 -4.945 -10.477 -12.774 358 2HH2 ARG 43 2HH1 ARG 43 -4.199 -11.491 -11.585 359 H VAL 44 H VAL 44 -6.293 -1.914 -9.568 360 HA VAL 44 HA VAL 44 -7.215 -1.837 -6.806 361 HB VAL 44 HB VAL 44 -6.034 0.370 -8.518 362 1HG1 VAL 44 1HG1 VAL 44 -5.324 1.014 -6.021 363 2HG1 VAL 44 2HG1 VAL 44 -6.793 0.124 -5.631 364 3HG1 VAL 44 3HG1 VAL 44 -6.869 1.528 -6.695 365 1HG2 VAL 44 1HG2 VAL 44 -4.683 -1.806 -8.152 366 2HG2 VAL 44 2HG2 VAL 44 -4.599 -1.317 -6.460 367 3HG2 VAL 44 3HG2 VAL 44 -3.902 -0.288 -7.711 368 H LYS 45 H LYS 45 -7.938 0.257 -9.634 369 HA LYS 45 HA LYS 45 -10.158 1.551 -8.360 370 1HB LYS 45 2HB LYS 45 -10.733 2.375 -10.568 371 2HB LYS 45 1HB LYS 45 -8.976 2.401 -10.414 372 1HG LYS 45 2HG LYS 45 -8.984 0.092 -11.504 373 2HG LYS 45 1HG LYS 45 -10.677 0.386 -11.897 374 1HD LYS 45 2HD LYS 45 -8.429 2.267 -12.670 375 2HD LYS 45 1HD LYS 45 -9.061 1.014 -13.737 376 1HE LYS 45 2HE LYS 45 -10.554 3.395 -12.610 377 2HE LYS 45 1HE LYS 45 -10.207 3.048 -14.302 378 1HZ LYS 45 1HZ LYS 45 -12.423 2.403 -13.941 379 2HZ LYS 45 2HZ LYS 45 -12.050 1.603 -12.490 380 3HZ LYS 45 3HZ LYS 45 -11.536 0.957 -13.975 381 H ALA 46 H ALA 46 -9.758 -1.542 -9.796 382 HA ALA 46 HA ALA 46 -12.552 -2.025 -10.437 383 1HB ALA 46 1HB ALA 46 -10.934 -3.362 -11.591 384 2HB ALA 46 2HB ALA 46 -11.738 -4.455 -10.464 385 3HB ALA 46 3HB ALA 46 -10.140 -3.819 -10.083 386 H LEU 47 H LEU 47 -10.432 -2.682 -7.664 387 HA LEU 47 HA LEU 47 -12.307 -4.268 -6.189 388 1HB LEU 47 2HB LEU 47 -9.918 -2.596 -5.408 389 2HB LEU 47 1HB LEU 47 -10.900 -3.402 -4.184 390 HG LEU 47 HG LEU 47 -9.939 -5.000 -6.541 391 1HD1 LEU 47 1HD1 LEU 47 -7.850 -5.521 -5.338 392 2HD1 LEU 47 2HD1 LEU 47 -8.270 -4.345 -4.093 393 3HD1 LEU 47 3HD1 LEU 47 -7.933 -3.806 -5.738 394 1HD2 LEU 47 1HD2 LEU 47 -11.532 -5.812 -4.687 395 2HD2 LEU 47 2HD2 LEU 47 -10.133 -5.753 -3.616 396 3HD2 LEU 47 3HD2 LEU 47 -10.126 -6.824 -5.017 397 H CYS 48 H CYS 48 -12.331 -0.959 -6.991 398 HA CYS 48 HA CYS 48 -14.336 -0.423 -4.823 399 1HB CYS 48 2HB CYS 48 -12.173 1.317 -5.994 400 2HB CYS 48 1HB CYS 48 -13.625 2.052 -5.317 401 H LYS 49 H LYS 49 -14.851 -1.569 -7.460 402 HA LYS 49 HA LYS 49 -16.046 0.680 -8.970 403 1HB LYS 49 2HB LYS 49 -16.281 -0.835 -10.768 404 2HB LYS 49 1HB LYS 49 -14.752 -1.293 -10.018 405 1HG LYS 49 2HG LYS 49 -16.141 -2.969 -8.633 406 2HG LYS 49 1HG LYS 49 -17.430 -2.675 -9.801 407 1HD LYS 49 2HD LYS 49 -15.810 -3.259 -11.634 408 2HD LYS 49 1HD LYS 49 -14.649 -3.724 -10.391 409 1HE LYS 49 2HE LYS 49 -16.070 -5.475 -9.588 410 2HE LYS 49 1HE LYS 49 -17.435 -4.893 -10.541 411 1HZ LYS 49 1HZ LYS 49 -16.365 -5.516 -12.537 412 2HZ LYS 49 2HZ LYS 49 -16.223 -6.845 -11.488 413 3HZ LYS 49 3HZ LYS 49 -14.894 -5.821 -11.751 414 H ASN 50 H ASN 50 -18.128 1.238 -8.660 415 HA ASN 50 HA ASN 50 -20.446 0.984 -8.327 416 1HB ASN 50 2HB ASN 50 -19.862 -1.471 -9.189 417 2HB ASN 50 1HB ASN 50 -20.183 -1.882 -7.503 418 1HD2 ASN 50 1HD2 ASN 50 -21.740 0.550 -9.672 419 2HD2 ASN 50 2HD2 ASN 50 -23.311 -0.062 -9.468 420 H ILE 51 H ILE 51 -18.128 1.101 -6.158 421 HA ILE 51 HA ILE 51 -19.144 0.035 -3.738 422 HB ILE 51 HB ILE 51 -17.613 2.617 -4.181 423 1HG1 ILE 51 2HG1 ILE 51 -16.477 0.612 -5.043 424 2HG1 ILE 51 1HG1 ILE 51 -15.644 1.234 -3.622 425 1HG2 ILE 51 1HG2 ILE 51 -18.407 2.813 -1.987 426 2HG2 ILE 51 2HG2 ILE 51 -16.854 2.013 -1.759 427 3HG2 ILE 51 3HG2 ILE 51 -18.344 1.072 -1.706 428 1HD1 ILE 51 1HD1 ILE 51 -17.232 -1.276 -3.953 429 2HD1 ILE 51 2HD1 ILE 51 -17.299 -0.480 -2.381 430 3HD1 ILE 51 3HD1 ILE 51 -15.750 -1.000 -3.041 431 H ARG 52 H ARG 52 -19.959 1.624 -1.912 432 HA ARG 52 HA ARG 52 -22.319 3.056 -3.049 433 1HB ARG 52 2HB ARG 52 -23.339 2.748 -0.823 434 2HB ARG 52 1HB ARG 52 -22.853 1.204 -1.523 435 1HG ARG 52 2HG ARG 52 -20.607 1.627 -0.227 436 2HG ARG 52 1HG ARG 52 -21.584 2.741 0.731 437 1HD ARG 52 2HD ARG 52 -21.701 0.641 1.861 438 2HD ARG 52 1HD ARG 52 -23.243 0.822 1.024 439 HE ARG 52 HE ARG 52 -21.761 -0.557 -0.815 440 1HH1 ARG 52 1HH2 ARG 52 -22.315 -0.901 2.572 441 2HH1 ARG 52 2HH2 ARG 52 -22.144 -2.624 2.560 442 1HH2 ARG 52 1HH1 ARG 52 -21.536 -2.806 -0.849 443 2HH2 ARG 52 2HH1 ARG 52 -21.703 -3.703 0.623 444 H ASP 53 H ASP 53 -20.031 3.338 -0.324 445 HA ASP 53 HA ASP 53 -19.518 6.131 -0.867 446 1HB ASP 53 2HB ASP 53 -21.910 6.044 0.148 447 2HB ASP 53 1HB ASP 53 -21.089 5.680 1.665 448 H ASN 54 H ASN 54 -19.034 6.869 1.845 449 HA ASN 54 HA ASN 54 -16.413 5.782 2.192 450 1HB ASN 54 2HB ASN 54 -16.544 6.922 4.455 451 2HB ASN 54 1HB ASN 54 -16.875 7.968 3.074 452 1HD2 ASN 54 1HD2 ASN 54 -18.981 8.885 2.897 453 2HD2 ASN 54 2HD2 ASN 54 -20.214 8.610 4.032 454 H THR 55 H THR 55 -16.170 3.633 2.633 455 HA THR 55 HA THR 55 -17.281 2.617 5.162 456 HB THR 55 HB THR 55 -17.762 0.878 2.764 457 HG1 THR 55 1HG THR 55 -18.683 3.039 2.442 458 1HG2 THR 55 1HG2 THR 55 -19.583 0.046 4.183 459 2HG2 THR 55 2HG2 THR 55 -19.233 1.291 5.382 460 3HG2 THR 55 3HG2 THR 55 -18.057 0.016 5.065 461 H ASP 56 H ASP 56 -16.346 0.405 5.632 462 HA ASP 56 HA ASP 56 -13.539 0.339 4.688 463 1HB ASP 56 2HB ASP 56 -14.929 -1.235 6.875 464 2HB ASP 56 1HB ASP 56 -13.196 -1.245 6.545 465 H VAL 57 H VAL 57 -12.638 -1.442 3.623 466 HA VAL 57 HA VAL 57 -14.532 -3.621 2.830 467 HB VAL 57 HB VAL 57 -13.756 -3.570 0.591 468 1HG1 VAL 57 1HG1 VAL 57 -14.220 -1.302 -0.138 469 2HG1 VAL 57 2HG1 VAL 57 -13.821 -0.665 1.457 470 3HG1 VAL 57 3HG1 VAL 57 -15.257 -1.666 1.242 471 1HG2 VAL 57 1HG2 VAL 57 -11.511 -1.885 1.709 472 2HG2 VAL 57 2HG2 VAL 57 -11.856 -1.929 -0.019 473 3HG2 VAL 57 3HG2 VAL 57 -11.398 -3.407 0.827 474 H LEU 58 H LEU 58 -13.285 -5.592 2.050 475 HA LEU 58 HA LEU 58 -10.641 -5.868 3.409 476 1HB LEU 58 2HB LEU 58 -13.013 -6.868 4.447 477 2HB LEU 58 1HB LEU 58 -12.389 -8.248 3.551 478 HG LEU 58 HG LEU 58 -11.633 -8.222 5.919 479 1HD1 LEU 58 1HD1 LEU 58 -9.392 -7.752 3.936 480 2HD1 LEU 58 2HD1 LEU 58 -10.269 -9.270 4.134 481 3HD1 LEU 58 3HD1 LEU 58 -9.281 -8.644 5.453 482 1HD2 LEU 58 1HD2 LEU 58 -9.684 -6.052 5.466 483 2HD2 LEU 58 2HD2 LEU 58 -10.630 -6.433 6.902 484 3HD2 LEU 58 3HD2 LEU 58 -11.357 -5.507 5.590 485 H SER 59 H SER 59 -9.150 -7.046 2.161 486 HA SER 59 HA SER 59 -9.699 -7.548 -0.563 487 1HB SER 59 2HB SER 59 -7.450 -7.733 -0.434 488 2HB SER 59 1HB SER 59 -7.513 -8.151 1.270 489 HG SER 59 HG SER 59 -6.855 -9.996 0.394 490 H ARG 60 H ARG 60 -9.924 -9.607 -1.702 491 HA ARG 60 HA ARG 60 -12.025 -11.212 -0.586 492 1HB ARG 60 2HB ARG 60 -10.292 -12.031 -2.917 493 2HB ARG 60 1HB ARG 60 -11.994 -12.398 -2.637 494 1HG ARG 60 2HG ARG 60 -10.813 -9.676 -3.260 495 2HG ARG 60 1HG ARG 60 -11.838 -10.644 -4.318 496 1HD ARG 60 2HD ARG 60 -13.582 -10.553 -2.424 497 2HD ARG 60 1HD ARG 60 -12.594 -9.261 -1.743 498 HE ARG 60 HE ARG 60 -12.998 -8.526 -4.405 499 1HH1 ARG 60 1HH2 ARG 60 -14.915 -9.341 -1.657 500 2HH1 ARG 60 2HH2 ARG 60 -16.236 -8.315 -2.109 501 1HH2 ARG 60 1HH1 ARG 60 -14.711 -7.184 -5.010 502 2HH2 ARG 60 2HH1 ARG 60 -16.121 -7.094 -4.008 503 H ASP 61 H ASP 61 -8.524 -11.794 -0.979 504 HA ASP 61 HA ASP 61 -8.768 -13.949 1.046 505 1HB ASP 61 2HB ASP 61 -7.549 -14.371 -1.699 506 2HB ASP 61 1HB ASP 61 -7.461 -15.520 -0.364 507 H ALA 62 H ALA 62 -6.152 -13.091 -1.235 508 HA ALA 62 HA ALA 62 -4.634 -11.915 1.030 509 1HB ALA 62 1HB ALA 62 -3.388 -14.019 -0.743 510 2HB ALA 62 2HB ALA 62 -4.149 -14.419 0.796 511 3HB ALA 62 3HB ALA 62 -2.751 -13.344 0.757 512 H PHE 63 H PHE 63 -2.606 -10.844 0.244 513 HA PHE 63 HA PHE 63 -2.493 -10.235 -2.639 514 1HB PHE 63 2HB PHE 63 -3.389 -8.279 -0.539 515 2HB PHE 63 1HB PHE 63 -2.433 -7.693 -1.900 516 HD1 PHE 63 1HD PHE 63 -5.575 -9.406 -0.940 517 HD2 PHE 63 2HD PHE 63 -3.346 -7.575 -4.118 518 HE1 PHE 63 1HE PHE 63 -7.600 -9.433 -2.373 519 HE2 PHE 63 2HE PHE 63 -5.370 -7.602 -5.554 520 HZ PHE 63 HZ PHE 63 -7.496 -8.531 -4.681 521 H LEU 64 H LEU 64 -0.399 -9.773 -3.232 522 HA LEU 64 HA LEU 64 1.683 -10.068 -1.205 523 1HB LEU 64 2HB LEU 64 1.739 -10.924 -3.633 524 2HB LEU 64 1HB LEU 64 2.092 -9.259 -4.089 525 HG LEU 64 HG LEU 64 3.707 -10.802 -2.039 526 1HD1 LEU 64 1HD1 LEU 64 3.886 -11.912 -4.216 527 2HD1 LEU 64 2HD1 LEU 64 5.385 -11.061 -3.850 528 3HD1 LEU 64 3HD1 LEU 64 4.235 -10.368 -4.994 529 1HD2 LEU 64 1HD2 LEU 64 4.206 -8.558 -1.673 530 2HD2 LEU 64 2HD2 LEU 64 3.885 -8.101 -3.346 531 3HD2 LEU 64 3HD2 LEU 64 5.381 -8.936 -2.931 532 H LEU 65 H LEU 65 2.147 -8.313 0.078 533 HA LEU 65 HA LEU 65 2.303 -5.659 -1.287 534 1HB LEU 65 2HB LEU 65 2.062 -5.218 1.497 535 2HB LEU 65 1HB LEU 65 0.890 -4.844 0.250 536 HG LEU 65 HG LEU 65 1.046 -7.630 1.353 537 1HD1 LEU 65 1HD1 LEU 65 -0.396 -5.235 2.534 538 2HD1 LEU 65 2HD1 LEU 65 0.892 -6.162 3.300 539 3HD1 LEU 65 3HD1 LEU 65 -0.679 -6.909 3.012 540 1HD2 LEU 65 1HD2 LEU 65 -1.160 -5.883 0.191 541 2HD2 LEU 65 2HD2 LEU 65 -1.367 -7.550 0.723 542 3HD2 LEU 65 3HD2 LEU 65 -0.331 -7.187 -0.654 543 HA PRO 66 HA PRO 66 6.553 -5.998 0.151 544 1HB PRO 66 2HB PRO 66 7.420 -3.613 -0.889 545 2HB PRO 66 1HB PRO 66 7.238 -5.088 -1.854 546 1HG PRO 66 2HG PRO 66 5.502 -2.705 -1.718 547 2HG PRO 66 1HG PRO 66 5.817 -3.795 -3.069 548 1HD PRO 66 2HD PRO 66 3.524 -3.823 -1.499 549 2HD PRO 66 1HD PRO 66 4.086 -5.167 -2.514 550 H GLN 67 H GLN 67 7.642 -5.081 1.991 551 HA GLN 67 HA GLN 67 6.505 -2.573 3.091 552 1HB GLN 67 2HB GLN 67 6.810 -4.927 4.942 553 2HB GLN 67 1HB GLN 67 5.815 -3.483 5.134 554 1HG GLN 67 2HG GLN 67 4.372 -4.264 3.262 555 2HG GLN 67 1HG GLN 67 5.335 -5.738 3.164 556 1HE2 GLN 67 1HE2 GLN 67 5.387 -5.020 6.380 557 2HE2 GLN 67 2HE2 GLN 67 4.022 -5.884 6.899 558 H CYS 68 H CYS 68 7.868 -1.531 4.596 559 HA CYS 68 HA CYS 68 10.707 -2.476 4.506 560 1HB CYS 68 2HB CYS 68 9.744 0.276 5.289 561 2HB CYS 68 1HB CYS 68 11.358 -0.204 4.759 562 H ASP 69 H ASP 69 11.922 -2.556 6.437 563 HA ASP 69 HA ASP 69 10.500 -2.004 8.991 564 1HB ASP 69 2HB ASP 69 10.174 -4.430 8.386 565 2HB ASP 69 1HB ASP 69 11.927 -4.623 8.443 566 H ARG 70 H ARG 70 11.887 -0.524 9.876 567 HA ARG 70 HA ARG 70 14.688 -0.389 9.288 568 1HB ARG 70 2HB ARG 70 13.420 1.551 10.109 569 2HB ARG 70 1HB ARG 70 13.150 0.736 11.648 570 1HG ARG 70 2HG ARG 70 15.991 0.847 10.843 571 2HG ARG 70 1HG ARG 70 15.264 2.430 11.118 572 1HD ARG 70 2HD ARG 70 14.950 0.168 13.095 573 2HD ARG 70 1HD ARG 70 16.312 1.285 13.160 574 HE ARG 70 HE ARG 70 13.564 1.895 13.916 575 1HH1 ARG 70 1HH2 ARG 70 16.566 3.083 12.707 576 2HH1 ARG 70 2HH2 ARG 70 16.305 4.700 13.271 577 1HH2 ARG 70 1HH1 ARG 70 13.206 4.000 14.658 578 2HH2 ARG 70 2HH1 ARG 70 14.403 5.219 14.375 579 H ILE 71 H ILE 71 16.221 -1.773 9.956 580 HA ILE 71 HA ILE 71 16.029 -2.933 12.699 581 HB ILE 71 HB ILE 71 16.670 -4.465 10.156 582 1HG1 ILE 71 2HG1 ILE 71 14.459 -4.887 12.190 583 2HG1 ILE 71 1HG1 ILE 71 14.236 -4.015 10.673 584 1HG2 ILE 71 1HG2 ILE 71 18.120 -5.249 11.917 585 2HG2 ILE 71 2HG2 ILE 71 16.805 -6.414 11.770 586 3HG2 ILE 71 3HG2 ILE 71 16.798 -5.238 13.084 587 1HD1 ILE 71 1HD1 ILE 71 13.550 -6.363 10.420 588 2HD1 ILE 71 2HD1 ILE 71 15.149 -6.895 10.942 589 3HD1 ILE 71 3HD1 ILE 71 14.963 -6.022 9.421 590 H LYS 72 H LYS 72 18.047 -2.372 9.821 591 HA LYS 72 HA LYS 72 20.439 -2.203 11.619 592 1HB LYS 72 2HB LYS 72 20.309 -2.665 8.622 593 2HB LYS 72 1HB LYS 72 21.776 -2.633 9.599 594 1HG LYS 72 2HG LYS 72 21.108 -4.598 10.812 595 2HG LYS 72 1HG LYS 72 19.492 -4.555 10.107 596 1HD LYS 72 2HD LYS 72 20.470 -4.938 7.864 597 2HD LYS 72 1HD LYS 72 22.076 -5.025 8.590 598 1HE LYS 72 2HE LYS 72 19.826 -6.822 9.501 599 2HE LYS 72 1HE LYS 72 20.879 -7.262 8.157 600 1HZ LYS 72 1HZ LYS 72 22.190 -6.338 10.585 601 2HZ LYS 72 2HZ LYS 72 22.636 -7.575 9.508 602 3HZ LYS 72 3HZ LYS 72 21.433 -7.853 10.675 603 H LEU 73 H LEU 73 21.554 -0.267 11.683 604 HA LEU 73 HA LEU 73 21.832 2.050 11.454 605 1HB LEU 73 2HB LEU 73 21.208 1.826 8.529 606 2HB LEU 73 1HB LEU 73 22.529 2.671 9.328 607 HG LEU 73 HG LEU 73 22.286 -0.331 9.000 608 1HD1 LEU 73 1HD1 LEU 73 24.205 -0.094 7.529 609 2HD1 LEU 73 2HD1 LEU 73 24.287 1.637 7.858 610 3HD1 LEU 73 3HD1 LEU 73 22.921 0.974 6.961 611 1HD2 LEU 73 1HD2 LEU 73 23.387 0.020 11.081 612 2HD2 LEU 73 2HD2 LEU 73 24.244 1.437 10.476 613 3HD2 LEU 73 3HD2 LEU 73 24.696 -0.173 9.917 614 HA PRO 74 HA PRO 74 17.829 3.935 11.082 615 1HB PRO 74 2HB PRO 74 18.359 6.508 10.453 616 2HB PRO 74 1HB PRO 74 18.872 5.785 11.989 617 1HG PRO 74 2HG PRO 74 20.478 6.513 9.635 618 2HG PRO 74 1HG PRO 74 20.968 6.328 11.325 619 1HD PRO 74 2HD PRO 74 21.281 4.425 9.182 620 2HD PRO 74 1HD PRO 74 21.762 4.235 10.882 621 H CYS 75 H CYS 75 18.935 6.108 8.651 622 HA CYS 75 HA CYS 75 16.754 6.046 6.980 623 1HB CYS 75 2HB CYS 75 19.432 6.967 6.889 624 2HB CYS 75 1HB CYS 75 19.121 6.162 5.354 625 H HIS 76 H HIS 76 18.911 3.431 7.499 626 HA HIS 76 HA HIS 76 18.312 2.144 4.901 627 1HB HIS 76 2HB HIS 76 20.549 1.987 6.266 628 2HB HIS 76 1HB HIS 76 19.685 0.768 7.201 629 HD1 HIS 76 1HD HIS 76 21.436 1.293 4.002 630 HD2 HIS 76 2HD HIS 76 18.760 -1.497 5.569 631 HE1 HIS 76 1HE HIS 76 21.508 -0.716 2.458 632 HE2 HIS 76 2HE HIS 76 19.884 -2.420 3.403 633 H TYR 77 H TYR 77 17.012 0.261 4.711 634 HA TYR 77 HA TYR 77 15.510 -0.575 7.152 635 1HB TYR 77 2HB TYR 77 14.124 -0.200 4.503 636 2HB TYR 77 1HB TYR 77 13.407 -0.350 6.106 637 HD1 TYR 77 1HD TYR 77 13.823 1.500 7.805 638 HD2 TYR 77 2HD TYR 77 14.712 1.922 3.626 639 HE1 TYR 77 1HE TYR 77 13.864 3.963 8.062 640 HE2 TYR 77 2HE TYR 77 14.754 4.391 3.882 641 HH TYR 77 HH TYR 77 14.313 6.097 5.262 642 H LYS 78 H LYS 78 14.218 -2.626 6.657 643 HA LYS 78 HA LYS 78 15.883 -4.423 4.940 644 1HB LYS 78 2HB LYS 78 15.621 -4.897 7.448 645 2HB LYS 78 1HB LYS 78 13.933 -5.264 7.097 646 1HG LYS 78 2HG LYS 78 14.863 -7.380 6.877 647 2HG LYS 78 1HG LYS 78 14.996 -6.808 5.216 648 1HD LYS 78 2HD LYS 78 17.317 -6.090 5.638 649 2HD LYS 78 1HD LYS 78 17.187 -6.641 7.309 650 1HE LYS 78 2HE LYS 78 16.783 -8.441 4.905 651 2HE LYS 78 1HE LYS 78 18.310 -8.294 5.776 652 1HZ LYS 78 1HZ LYS 78 17.474 -9.322 7.614 653 2HZ LYS 78 2HZ LYS 78 16.575 -10.120 6.413 654 3HZ LYS 78 3HZ LYS 78 15.873 -8.855 7.304 655 H LEU 79 H LEU 79 14.806 -5.775 3.429 656 HA LEU 79 HA LEU 79 12.134 -4.789 2.635 657 1HB LEU 79 2HB LEU 79 14.282 -5.383 1.128 658 2HB LEU 79 1HB LEU 79 13.501 -6.964 1.111 659 HG LEU 79 HG LEU 79 12.213 -4.333 0.320 660 1HD1 LEU 79 1HD1 LEU 79 13.924 -5.431 -1.249 661 2HD1 LEU 79 2HD1 LEU 79 12.325 -5.115 -1.923 662 3HD1 LEU 79 3HD1 LEU 79 12.760 -6.747 -1.415 663 1HD2 LEU 79 1HD2 LEU 79 10.475 -5.658 1.230 664 2HD2 LEU 79 2HD2 LEU 79 11.167 -7.154 0.602 665 3HD2 LEU 79 3HD2 LEU 79 10.405 -6.004 -0.497 666 H SER 80 H SER 80 10.313 -5.862 3.181 667 HA SER 80 HA SER 80 10.390 -8.809 3.533 668 1HB SER 80 2HB SER 80 10.737 -8.008 5.798 669 2HB SER 80 1HB SER 80 9.430 -6.841 5.632 670 HG SER 80 HG SER 80 9.130 -9.655 5.392 671 H SER 81 H SER 81 8.579 -9.706 2.620 672 HA SER 81 HA SER 81 6.127 -8.031 2.362 673 1HB SER 81 2HB SER 81 7.047 -9.655 0.005 674 2HB SER 81 1HB SER 81 5.974 -8.259 0.043 675 HG SER 81 HG SER 81 8.653 -8.023 0.871 676 H SER 82 H SER 82 4.201 -9.361 1.853 677 HA SER 82 HA SER 82 4.422 -12.267 1.964 678 1HB SER 82 2HB SER 82 4.682 -12.038 4.302 679 2HB SER 82 1HB SER 82 3.563 -10.679 4.382 680 HG SER 82 HG SER 82 1.893 -12.149 3.821 681 H THR 83 H THR 83 2.190 -13.262 2.002 682 HA THR 83 HA THR 83 0.338 -11.506 0.491 683 HB THR 83 HB THR 83 -0.590 -14.058 0.211 684 HG1 THR 83 1HG THR 83 1.406 -14.583 1.487 685 1HG2 THR 83 1HG2 THR 83 -0.163 -12.561 -1.642 686 2HG2 THR 83 2HG2 THR 83 0.726 -14.056 -1.933 687 3HG2 THR 83 3HG2 THR 83 1.573 -12.627 -1.342 688 H ASN 84 H ASN 84 -1.369 -10.749 1.625 689 HA ASN 84 HA ASN 84 -2.907 -12.532 3.366 690 1HB ASN 84 2HB ASN 84 -2.682 -11.169 5.392 691 2HB ASN 84 1HB ASN 84 -1.096 -11.754 4.888 692 1HD2 ASN 84 1HD2 ASN 84 -1.604 -9.317 6.480 693 2HD2 ASN 84 2HD2 ASN 84 -1.018 -8.013 5.564 694 H THR 85 H THR 85 -4.944 -11.452 4.077 695 HA THR 85 HA THR 85 -6.040 -9.808 2.007 696 HB THR 85 HB THR 85 -7.498 -9.595 4.520 697 HG1 THR 85 1HG THR 85 -7.801 -11.920 4.657 698 1HG2 THR 85 1HG2 THR 85 -7.950 -10.924 1.843 699 2HG2 THR 85 2HG2 THR 85 -8.708 -9.465 2.479 700 3HG2 THR 85 3HG2 THR 85 -9.124 -11.037 3.150 701 H ILE 86 H ILE 86 -7.180 -7.618 2.728 702 HA ILE 86 HA ILE 86 -5.440 -6.051 4.551 703 HB ILE 86 HB ILE 86 -4.875 -4.415 2.889 704 1HG1 ILE 86 2HG1 ILE 86 -6.730 -5.967 1.049 705 2HG1 ILE 86 1HG1 ILE 86 -7.012 -4.346 1.680 706 1HG2 ILE 86 1HG2 ILE 86 -3.556 -5.717 1.342 707 2HG2 ILE 86 2HG2 ILE 86 -4.620 -7.110 1.529 708 3HG2 ILE 86 3HG2 ILE 86 -3.598 -6.593 2.870 709 1HD1 ILE 86 1HD1 ILE 86 -4.818 -3.675 0.558 710 2HD1 ILE 86 2HD1 ILE 86 -6.162 -4.036 -0.526 711 3HD1 ILE 86 3HD1 ILE 86 -4.885 -5.226 -0.278 712 H CYS 87 H CYS 87 -6.455 -4.114 5.297 713 HA CYS 87 HA CYS 87 -9.369 -3.930 4.649 714 1HB CYS 87 2HB CYS 87 -9.184 -4.479 6.957 715 2HB CYS 87 1HB CYS 87 -7.815 -3.401 7.188 716 H ILE 88 H ILE 88 -9.990 -2.048 3.688 717 HA ILE 88 HA ILE 88 -8.396 0.409 4.138 718 HB ILE 88 HB ILE 88 -7.232 0.149 2.211 719 1HG1 ILE 88 2HG1 ILE 88 -9.915 0.292 0.793 720 2HG1 ILE 88 1HG1 ILE 88 -9.057 1.696 1.429 721 1HG2 ILE 88 1HG2 ILE 88 -9.218 -2.033 1.538 722 2HG2 ILE 88 2HG2 ILE 88 -7.596 -2.232 2.196 723 3HG2 ILE 88 3HG2 ILE 88 -7.811 -1.648 0.549 724 1HD1 ILE 88 1HD1 ILE 88 -7.803 1.792 -0.425 725 2HD1 ILE 88 2HD1 ILE 88 -8.678 0.411 -1.083 726 3HD1 ILE 88 3HD1 ILE 88 -7.213 0.155 -0.137 727 H THR 89 H THR 89 -9.570 2.353 3.367 728 HA THR 89 HA THR 89 -12.512 1.810 3.265 729 HB THR 89 HB THR 89 -10.862 3.861 4.619 730 HG1 THR 89 1HG THR 89 -12.410 3.563 6.133 731 1HG2 THR 89 1HG2 THR 89 -13.465 4.535 3.230 732 2HG2 THR 89 2HG2 THR 89 -11.923 5.381 3.094 733 3HG2 THR 89 3HG2 THR 89 -12.841 5.459 4.596 734 H CYS 90 H CYS 90 -13.630 2.404 1.524 735 HA CYS 90 HA CYS 90 -12.282 4.096 -0.549 736 1HB CYS 90 2HB CYS 90 -13.090 1.495 -0.840 737 2HB CYS 90 1HB CYS 90 -14.540 2.348 -1.367 738 H VAL 91 H VAL 91 -14.196 5.060 -2.045 739 HA VAL 91 HA VAL 91 -16.578 5.757 -0.469 740 HB VAL 91 HB VAL 91 -15.133 7.426 0.389 741 1HG1 VAL 91 1HG1 VAL 91 -14.063 8.949 -1.613 742 2HG1 VAL 91 2HG1 VAL 91 -13.998 7.347 -2.346 743 3HG1 VAL 91 3HG1 VAL 91 -13.203 7.642 -0.800 744 1HG2 VAL 91 1HG2 VAL 91 -16.437 9.253 -0.055 745 2HG2 VAL 91 2HG2 VAL 91 -17.403 8.095 -0.965 746 3HG2 VAL 91 3HG2 VAL 91 -16.229 9.115 -1.798 747 H ASN 92 H ASN 92 -15.557 7.924 -2.898 748 HA ASN 92 HA ASN 92 -17.845 7.329 -4.557 749 1HB ASN 92 2HB ASN 92 -15.438 9.128 -4.947 750 2HB ASN 92 1HB ASN 92 -16.743 9.000 -6.126 751 1HD2 ASN 92 1HD2 ASN 92 -19.058 9.230 -4.968 752 2HD2 ASN 92 2HD2 ASN 92 -19.170 10.507 -3.855 753 H GLN 93 H GLN 93 -16.424 5.011 -4.298 754 HA GLN 93 HA GLN 93 -15.590 3.240 -5.585 755 1HB GLN 93 2HB GLN 93 -16.105 5.111 -7.925 756 2HB GLN 93 1HB GLN 93 -15.809 3.379 -8.030 757 1HG GLN 93 2HG GLN 93 -18.159 3.541 -8.120 758 2HG GLN 93 1HG GLN 93 -17.836 3.137 -6.434 759 1HE2 GLN 93 1HE2 GLN 93 -19.020 4.421 -5.020 760 2HE2 GLN 93 2HE2 GLN 93 -19.470 6.033 -5.304 761 H LEU 94 H LEU 94 -13.829 5.114 -4.409 762 HA LEU 94 HA LEU 94 -11.466 4.763 -6.163 763 1HB LEU 94 2HB LEU 94 -12.595 7.368 -5.187 764 2HB LEU 94 1HB LEU 94 -10.844 7.200 -5.286 765 HG LEU 94 HG LEU 94 -12.437 6.312 -7.657 766 1HD1 LEU 94 1HD1 LEU 94 -13.515 8.437 -7.119 767 2HD1 LEU 94 2HD1 LEU 94 -12.472 8.645 -8.527 768 3HD1 LEU 94 3HD1 LEU 94 -11.942 9.216 -6.944 769 1HD2 LEU 94 1HD2 LEU 94 -10.482 6.844 -8.831 770 2HD2 LEU 94 2HD2 LEU 94 -9.841 6.313 -7.276 771 3HD2 LEU 94 3HD2 LEU 94 -9.972 8.034 -7.635 772 HA PRO 95 HA PRO 95 -10.255 3.560 -1.968 773 1HB PRO 95 2HB PRO 95 -7.814 2.509 -2.593 774 2HB PRO 95 1HB PRO 95 -9.337 1.655 -2.909 775 1HG PRO 95 2HG PRO 95 -7.591 3.169 -4.783 776 2HG PRO 95 1HG PRO 95 -8.496 1.669 -5.042 777 1HD PRO 95 2HD PRO 95 -9.345 4.147 -5.915 778 2HD PRO 95 1HD PRO 95 -10.438 2.784 -5.588 779 H ILE 96 H ILE 96 -9.417 4.996 -0.462 780 HA ILE 96 HA ILE 96 -6.971 6.513 -1.229 781 HB ILE 96 HB ILE 96 -7.943 8.605 -0.414 782 1HG1 ILE 96 2HG1 ILE 96 -10.566 8.480 -0.155 783 2HG1 ILE 96 1HG1 ILE 96 -10.269 6.782 0.203 784 1HG2 ILE 96 1HG2 ILE 96 -9.201 9.061 -2.333 785 2HG2 ILE 96 2HG2 ILE 96 -9.969 7.474 -2.329 786 3HG2 ILE 96 3HG2 ILE 96 -8.287 7.636 -2.822 787 1HD1 ILE 96 1HD1 ILE 96 -10.264 8.695 2.101 788 2HD1 ILE 96 2HD1 ILE 96 -8.564 8.752 1.647 789 3HD1 ILE 96 3HD1 ILE 96 -9.275 7.244 2.217 790 H HIS 97 H HIS 97 -8.704 4.782 1.237 791 HA HIS 97 HA HIS 97 -6.768 5.891 3.251 792 1HB HIS 97 2HB HIS 97 -9.620 5.285 3.383 793 2HB HIS 97 1HB HIS 97 -8.720 4.469 4.658 794 HD1 HIS 97 1HD HIS 97 -9.698 6.062 6.474 795 HD2 HIS 97 2HD HIS 97 -7.483 8.026 3.534 796 HE1 HIS 97 1HE HIS 97 -9.272 8.405 7.339 797 HE2 HIS 97 2HE HIS 97 -7.926 9.607 5.559 798 H PHE 98 H PHE 98 -5.405 4.522 4.272 799 HA PHE 98 HA PHE 98 -5.518 1.633 3.502 800 1HB PHE 98 2HB PHE 98 -3.442 2.743 2.823 801 2HB PHE 98 1HB PHE 98 -3.203 3.351 4.460 802 HD1 PHE 98 1HD PHE 98 -3.701 0.145 2.582 803 HD2 PHE 98 2HD PHE 98 -1.945 2.091 5.986 804 HE1 PHE 98 1HE PHE 98 -2.549 -1.964 3.194 805 HE2 PHE 98 2HE PHE 98 -0.792 -0.018 6.596 806 HZ PHE 98 HZ PHE 98 -1.094 -2.045 5.200 807 H ALA 99 H ALA 99 -6.765 0.742 5.134 808 HA ALA 99 HA ALA 99 -6.836 1.581 7.836 809 1HB ALA 99 1HB ALA 99 -7.152 -1.320 7.158 810 2HB ALA 99 2HB ALA 99 -8.290 -0.161 6.473 811 3HB ALA 99 3HB ALA 99 -8.128 -0.312 8.221 812 H GLY 100 H GLY 100 -5.329 -1.509 6.831 813 1HA GLY 100 2HA GLY 100 -2.758 -0.912 7.956 814 2HA GLY 100 1HA GLY 100 -3.728 -1.794 9.135 815 H VAL 101 H VAL 101 -1.931 -3.429 8.763 816 HA VAL 101 HA VAL 101 -1.985 -4.868 6.210 817 HB VAL 101 HB VAL 101 -0.250 -6.221 7.118 818 1HG1 VAL 101 1HG1 VAL 101 0.291 -3.781 6.758 819 2HG1 VAL 101 2HG1 VAL 101 1.346 -4.597 7.913 820 3HG1 VAL 101 3HG1 VAL 101 0.059 -3.539 8.490 821 1HG2 VAL 101 1HG2 VAL 101 0.263 -6.006 9.643 822 2HG2 VAL 101 2HG2 VAL 101 -1.145 -6.964 9.189 823 3HG2 VAL 101 3HG2 VAL 101 -1.354 -5.317 9.784 824 H GLY 102 H GLY 102 -2.547 -7.178 6.095 825 1HA GLY 102 2HA GLY 102 -4.093 -8.913 6.408 826 2HA GLY 102 1HA GLY 102 -3.862 -8.625 8.134 827 H SER 103 H SER 103 -6.244 -9.173 8.181 828 HA SER 103 HA SER 103 -8.149 -7.343 7.005 829 1HB SER 103 2HB SER 103 -8.545 -9.170 9.391 830 2HB SER 103 1HB SER 103 -9.803 -8.490 8.363 831 HG SER 103 HG SER 103 -9.270 -10.634 7.767 832 H CYS 104 H CYS 104 -9.494 -5.818 8.219 833 HA CYS 104 HA CYS 104 -8.052 -3.971 9.772 834 1HB CYS 104 2HB CYS 104 -10.799 -4.349 8.953 835 2HB CYS 104 1HB CYS 104 -10.758 -3.807 10.629 836 HA PRO 105 HA PRO 105 -7.546 -5.249 13.948 837 1HB PRO 105 2HB PRO 105 -9.716 -3.319 14.707 838 2HB PRO 105 1HB PRO 105 -8.112 -3.548 15.431 839 1HG PRO 105 2HG PRO 105 -8.631 -1.521 13.764 840 2HG PRO 105 1HG PRO 105 -7.053 -2.326 13.806 841 1HD PRO 105 2HD PRO 105 -9.147 -2.442 11.712 842 2HD PRO 105 1HD PRO 105 -7.409 -2.792 11.589
Contact the webmaster for help, if required. Monday, May 13, 2024 3:39:28 AM GMT (wattos1)