NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14645 | 1x37 | 6615 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 -18.295 -14.955 9.580 2 HA ALA 1 HA ALA 1 -15.911 -14.660 7.795 3 1HB ALA 1 1HB ALA 1 -15.595 -16.219 9.769 4 2HB ALA 1 2HB ALA 1 -15.358 -16.971 8.191 5 3HB ALA 1 3HB ALA 1 -16.859 -17.237 9.077 6 H GLY 2 H GLY 2 -16.887 -14.329 5.820 7 1HA GLY 2 2HA GLY 2 -18.108 -16.484 4.437 8 2HA GLY 2 1HA GLY 2 -19.395 -15.424 5.013 9 H TYR 3 H TYR 3 -16.125 -14.717 3.746 10 HA TYR 3 HA TYR 3 -17.292 -12.598 2.054 11 1HB TYR 3 2HB TYR 3 -14.498 -13.429 2.806 12 2HB TYR 3 1HB TYR 3 -14.763 -12.367 1.423 13 HD1 TYR 3 1HD TYR 3 -14.700 -12.626 5.041 14 HD2 TYR 3 2HD TYR 3 -16.004 -10.193 1.749 15 HE1 TYR 3 1HE TYR 3 -14.972 -10.697 6.574 16 HE2 TYR 3 2HE TYR 3 -16.275 -8.264 3.283 17 HH TYR 3 HH TYR 3 -16.733 -8.153 6.030 18 H THR 4 H THR 4 -17.712 -12.870 -0.084 19 HA THR 4 HA THR 4 -16.653 -15.345 -1.387 20 HB THR 4 HB THR 4 -18.637 -15.489 -2.649 21 HG1 THR 4 1HG THR 4 -18.492 -12.856 -2.545 22 1HG2 THR 4 1HG2 THR 4 -19.950 -14.245 -0.291 23 2HG2 THR 4 2HG2 THR 4 -18.802 -15.543 0.041 24 3HG2 THR 4 3HG2 THR 4 -20.192 -15.840 -1.003 25 H GLU 5 H GLU 5 -15.996 -15.133 -3.630 26 HA GLU 5 HA GLU 5 -14.341 -12.971 -4.238 27 1HB GLU 5 2HB GLU 5 -15.405 -15.251 -5.652 28 2HB GLU 5 1HB GLU 5 -15.399 -13.846 -6.719 29 1HG GLU 5 2HG GLU 5 -12.995 -13.442 -5.911 30 2HG GLU 5 1HG GLU 5 -13.065 -15.073 -5.243 31 H ILE 6 H ILE 6 -17.793 -13.353 -4.979 32 HA ILE 6 HA ILE 6 -18.101 -11.043 -6.603 33 HB ILE 6 HB ILE 6 -20.087 -12.270 -4.667 34 1HG1 ILE 6 2HG1 ILE 6 -19.972 -12.701 -7.648 35 2HG1 ILE 6 1HG1 ILE 6 -18.979 -13.682 -6.569 36 1HG2 ILE 6 1HG2 ILE 6 -21.744 -11.237 -6.269 37 2HG2 ILE 6 2HG2 ILE 6 -20.397 -10.370 -7.008 38 3HG2 ILE 6 3HG2 ILE 6 -20.826 -10.065 -5.324 39 1HD1 ILE 6 1HD1 ILE 6 -21.914 -13.337 -6.011 40 2HD1 ILE 6 2HD1 ILE 6 -20.839 -14.647 -5.522 41 3HD1 ILE 6 3HD1 ILE 6 -21.375 -14.525 -7.198 42 H GLU 7 H GLU 7 -18.849 -11.329 -3.096 43 HA GLU 7 HA GLU 7 -19.388 -8.655 -2.554 44 1HB GLU 7 2HB GLU 7 -17.981 -10.771 -0.927 45 2HB GLU 7 1HB GLU 7 -18.227 -9.147 -0.282 46 1HG GLU 7 2HG GLU 7 -20.665 -9.365 -0.734 47 2HG GLU 7 1HG GLU 7 -20.393 -11.017 -1.287 48 H LYS 8 H LYS 8 -16.138 -10.133 -2.223 49 HA LYS 8 HA LYS 8 -14.675 -7.784 -1.791 50 1HB LYS 8 2HB LYS 8 -13.885 -10.250 -3.372 51 2HB LYS 8 1HB LYS 8 -12.753 -9.005 -2.842 52 1HG LYS 8 2HG LYS 8 -12.703 -9.818 -0.736 53 2HG LYS 8 1HG LYS 8 -14.463 -9.924 -0.663 54 1HD LYS 8 2HD LYS 8 -13.653 -12.170 -0.466 55 2HD LYS 8 1HD LYS 8 -14.275 -12.012 -2.110 56 1HE LYS 8 2HE LYS 8 -12.114 -13.122 -2.203 57 2HE LYS 8 1HE LYS 8 -11.947 -11.504 -2.887 58 1HZ LYS 8 1HZ LYS 8 -10.454 -12.568 -0.860 59 2HZ LYS 8 2HZ LYS 8 -11.533 -11.525 -0.064 60 3HZ LYS 8 3HZ LYS 8 -10.527 -10.931 -1.298 61 H LEU 9 H LEU 9 -15.771 -9.174 -4.872 62 HA LEU 9 HA LEU 9 -14.401 -7.315 -6.566 63 1HB LEU 9 2HB LEU 9 -15.463 -9.441 -7.349 64 2HB LEU 9 1HB LEU 9 -17.046 -8.706 -7.088 65 HG LEU 9 HG LEU 9 -16.014 -6.772 -8.588 66 1HD1 LEU 9 1HD1 LEU 9 -13.901 -8.530 -8.605 67 2HD1 LEU 9 2HD1 LEU 9 -14.191 -7.300 -9.835 68 3HD1 LEU 9 3HD1 LEU 9 -14.738 -8.956 -10.097 69 1HD2 LEU 9 1HD2 LEU 9 -17.138 -7.748 -10.478 70 2HD2 LEU 9 2HD2 LEU 9 -18.005 -8.292 -9.041 71 3HD2 LEU 9 3HD2 LEU 9 -16.885 -9.380 -9.860 72 H GLU 10 H GLU 10 -17.683 -7.272 -5.167 73 HA GLU 10 HA GLU 10 -18.596 -4.883 -6.377 74 1HB GLU 10 2HB GLU 10 -19.607 -6.663 -4.530 75 2HB GLU 10 1HB GLU 10 -19.396 -5.202 -3.565 76 1HG GLU 10 2HG GLU 10 -20.738 -3.908 -5.096 77 2HG GLU 10 1HG GLU 10 -20.798 -5.241 -6.249 78 H ILE 11 H ILE 11 -17.175 -5.215 -3.100 79 HA ILE 11 HA ILE 11 -16.898 -2.384 -2.704 80 HB ILE 11 HB ILE 11 -15.014 -3.337 -1.046 81 1HG1 ILE 11 2HG1 ILE 11 -16.796 -5.728 -1.110 82 2HG1 ILE 11 1HG1 ILE 11 -15.537 -5.632 -2.342 83 1HG2 ILE 11 1HG2 ILE 11 -17.042 -2.268 -0.278 84 2HG2 ILE 11 2HG2 ILE 11 -16.894 -3.809 0.568 85 3HG2 ILE 11 3HG2 ILE 11 -18.017 -3.648 -0.782 86 1HD1 ILE 11 1HD1 ILE 11 -13.853 -5.914 -0.830 87 2HD1 ILE 11 2HD1 ILE 11 -15.126 -6.637 0.153 88 3HD1 ILE 11 3HD1 ILE 11 -14.667 -4.953 0.403 89 H VAL 12 H VAL 12 -14.292 -4.770 -3.233 90 HA VAL 12 HA VAL 12 -12.132 -3.150 -3.634 91 HB VAL 12 HB VAL 12 -12.926 -5.508 -5.363 92 1HG1 VAL 12 1HG1 VAL 12 -10.506 -3.776 -5.268 93 2HG1 VAL 12 2HG1 VAL 12 -11.186 -4.684 -6.618 94 3HG1 VAL 12 3HG1 VAL 12 -10.232 -5.514 -5.389 95 1HG2 VAL 12 1HG2 VAL 12 -10.810 -5.715 -3.305 96 2HG2 VAL 12 2HG2 VAL 12 -12.100 -6.847 -3.709 97 3HG2 VAL 12 3HG2 VAL 12 -12.437 -5.460 -2.675 98 H LYS 13 H LYS 13 -14.746 -3.618 -6.001 99 HA LYS 13 HA LYS 13 -13.367 -1.965 -7.962 100 1HB LYS 13 2HB LYS 13 -16.065 -3.277 -7.825 101 2HB LYS 13 1HB LYS 13 -15.730 -2.078 -9.074 102 1HG LYS 13 2HG LYS 13 -13.573 -3.479 -9.511 103 2HG LYS 13 1HG LYS 13 -14.419 -4.752 -8.631 104 1HD LYS 13 2HD LYS 13 -16.201 -4.802 -10.209 105 2HD LYS 13 1HD LYS 13 -15.691 -3.281 -10.943 106 1HE LYS 13 2HE LYS 13 -14.071 -4.278 -12.202 107 2HE LYS 13 1HE LYS 13 -13.649 -5.425 -10.930 108 1HZ LYS 13 1HZ LYS 13 -15.920 -5.568 -12.825 109 2HZ LYS 13 2HZ LYS 13 -15.825 -6.539 -11.433 110 3HZ LYS 13 3HZ LYS 13 -14.641 -6.668 -12.646 111 H ASP 14 H ASP 14 -16.051 -1.450 -5.684 112 HA ASP 14 HA ASP 14 -16.518 1.255 -6.682 113 1HB ASP 14 2HB ASP 14 -17.533 -0.198 -4.227 114 2HB ASP 14 1HB ASP 14 -18.064 1.410 -4.719 115 H HIS 15 H HIS 15 -15.347 0.007 -3.538 116 HA HIS 15 HA HIS 15 -14.711 2.452 -2.344 117 1HB HIS 15 2HB HIS 15 -13.600 1.227 -0.733 118 2HB HIS 15 1HB HIS 15 -14.565 -0.043 -1.484 119 HD1 HIS 15 1HD HIS 15 -11.333 0.284 -0.290 120 HD2 HIS 15 2HD HIS 15 -12.806 -0.927 -3.999 121 HE1 HIS 15 1HE HIS 15 -9.484 -1.053 -1.393 122 HE2 HIS 15 2HE HIS 15 -10.367 -1.792 -3.653 123 H LEU 16 H LEU 16 -12.637 0.580 -4.579 124 HA LEU 16 HA LEU 16 -10.218 1.832 -4.239 125 1HB LEU 16 2HB LEU 16 -9.949 1.723 -6.793 126 2HB LEU 16 1HB LEU 16 -10.274 0.216 -5.942 127 HG LEU 16 HG LEU 16 -12.739 0.609 -6.457 128 1HD1 LEU 16 1HD1 LEU 16 -11.543 2.999 -7.635 129 2HD1 LEU 16 2HD1 LEU 16 -13.241 2.644 -7.310 130 3HD1 LEU 16 3HD1 LEU 16 -12.499 2.096 -8.810 131 1HD2 LEU 16 1HD2 LEU 16 -12.465 -0.180 -8.818 132 2HD2 LEU 16 2HD2 LEU 16 -11.407 -1.030 -7.692 133 3HD2 LEU 16 3HD2 LEU 16 -10.756 0.239 -8.724 134 H LEU 17 H LEU 17 -13.034 3.344 -5.838 135 HA LEU 17 HA LEU 17 -11.437 5.674 -6.565 136 1HB LEU 17 2HB LEU 17 -14.041 4.674 -7.237 137 2HB LEU 17 1HB LEU 17 -14.186 6.350 -6.704 138 HG LEU 17 HG LEU 17 -12.150 5.411 -8.741 139 1HD1 LEU 17 1HD1 LEU 17 -14.768 6.851 -9.246 140 2HD1 LEU 17 2HD1 LEU 17 -14.543 5.119 -9.489 141 3HD1 LEU 17 3HD1 LEU 17 -13.621 6.273 -10.455 142 1HD2 LEU 17 1HD2 LEU 17 -13.034 8.195 -8.776 143 2HD2 LEU 17 2HD2 LEU 17 -11.397 7.544 -8.705 144 3HD2 LEU 17 3HD2 LEU 17 -12.330 7.746 -7.223 145 HA PRO 18 HA PRO 18 -13.881 7.952 -3.140 146 1HB PRO 18 2HB PRO 18 -15.201 5.943 -1.469 147 2HB PRO 18 1HB PRO 18 -15.897 7.359 -2.274 148 1HG PRO 18 2HG PRO 18 -16.414 4.819 -3.035 149 2HG PRO 18 1HG PRO 18 -16.427 6.193 -4.154 150 1HD PRO 18 2HD PRO 18 -14.313 4.109 -3.754 151 2HD PRO 18 1HD PRO 18 -14.868 4.874 -5.253 152 H LYS 19 H LYS 19 -13.084 4.708 -1.839 153 HA LYS 19 HA LYS 19 -12.035 5.513 0.635 154 1HB LYS 19 2HB LYS 19 -12.362 3.140 -0.127 155 2HB LYS 19 1HB LYS 19 -10.903 3.305 -1.106 156 1HG LYS 19 2HG LYS 19 -10.136 2.334 0.913 157 2HG LYS 19 1HG LYS 19 -9.744 4.045 1.079 158 1HD LYS 19 2HD LYS 19 -10.990 4.142 2.948 159 2HD LYS 19 1HD LYS 19 -12.415 3.688 2.013 160 1HE LYS 19 2HE LYS 19 -11.880 1.312 2.309 161 2HE LYS 19 1HE LYS 19 -10.415 1.737 3.195 162 1HZ LYS 19 1HZ LYS 19 -12.478 3.120 4.402 163 2HZ LYS 19 2HZ LYS 19 -11.641 1.778 5.021 164 3HZ LYS 19 3HZ LYS 19 -13.076 1.555 4.141 165 H GLN 20 H GLN 20 -9.774 4.454 -1.889 166 HA GLN 20 HA GLN 20 -7.488 5.697 -1.007 167 1HB GLN 20 2HB GLN 20 -8.520 5.164 -3.773 168 2HB GLN 20 1HB GLN 20 -7.009 6.051 -3.571 169 1HG GLN 20 2HG GLN 20 -6.891 3.461 -3.762 170 2HG GLN 20 1HG GLN 20 -5.947 4.246 -2.496 171 1HE2 GLN 20 1HE2 GLN 20 -6.120 3.063 -0.591 172 2HE2 GLN 20 2HE2 GLN 20 -7.539 2.324 -0.024 173 H ILE 21 H ILE 21 -9.855 7.257 -3.198 174 HA ILE 21 HA ILE 21 -8.617 9.756 -3.426 175 HB ILE 21 HB ILE 21 -11.523 8.960 -3.360 176 1HG1 ILE 21 2HG1 ILE 21 -10.037 8.341 -5.295 177 2HG1 ILE 21 1HG1 ILE 21 -11.387 9.380 -5.746 178 1HG2 ILE 21 1HG2 ILE 21 -10.313 11.716 -3.609 179 2HG2 ILE 21 2HG2 ILE 21 -11.640 11.193 -2.571 180 3HG2 ILE 21 3HG2 ILE 21 -11.882 11.326 -4.313 181 1HD1 ILE 21 1HD1 ILE 21 -8.565 9.866 -6.049 182 2HD1 ILE 21 2HD1 ILE 21 -9.258 11.107 -5.009 183 3HD1 ILE 21 3HD1 ILE 21 -9.916 10.840 -6.621 184 H LYS 22 H LYS 22 -10.667 8.580 -0.761 185 HA LYS 22 HA LYS 22 -10.726 11.130 0.593 186 1HB LYS 22 2HB LYS 22 -11.629 8.387 1.130 187 2HB LYS 22 1HB LYS 22 -11.127 9.264 2.576 188 1HG LYS 22 2HG LYS 22 -12.644 11.085 2.077 189 2HG LYS 22 1HG LYS 22 -13.050 10.374 0.515 190 1HD LYS 22 2HD LYS 22 -14.380 8.734 1.449 191 2HD LYS 22 1HD LYS 22 -13.454 8.692 2.950 192 1HE LYS 22 2HE LYS 22 -15.368 10.883 2.094 193 2HE LYS 22 1HE LYS 22 -15.645 9.696 3.370 194 1HZ LYS 22 1HZ LYS 22 -14.605 11.031 4.772 195 2HZ LYS 22 2HZ LYS 22 -14.297 12.152 3.533 196 3HZ LYS 22 3HZ LYS 22 -13.183 10.910 3.855 197 H GLU 23 H GLU 23 -9.321 8.222 2.087 198 HA GLU 23 HA GLU 23 -7.588 9.425 3.839 199 1HB GLU 23 2HB GLU 23 -7.894 6.865 3.049 200 2HB GLU 23 1HB GLU 23 -6.357 7.220 2.259 201 1HG GLU 23 2HG GLU 23 -5.755 6.420 4.413 202 2HG GLU 23 1HG GLU 23 -5.606 8.174 4.527 203 H HIS 24 H HIS 24 -7.049 8.973 0.369 204 HA HIS 24 HA HIS 24 -4.431 10.290 0.462 205 1HB HIS 24 2HB HIS 24 -6.121 9.676 -1.976 206 2HB HIS 24 1HB HIS 24 -4.377 9.940 -1.917 207 HD1 HIS 24 1HD HIS 24 -6.320 7.790 0.522 208 HD2 HIS 24 2HD HIS 24 -3.555 7.336 -2.564 209 HE1 HIS 24 1HE HIS 24 -5.602 5.360 0.555 210 HE2 HIS 24 2HE HIS 24 -3.918 5.073 -1.320 211 H GLY 25 H GLY 25 -7.741 11.086 -0.469 212 1HA GLY 25 2HA GLY 25 -7.556 13.499 -1.748 213 2HA GLY 25 1HA GLY 25 -8.762 13.219 -0.491 214 H LEU 26 H LEU 26 -6.890 12.933 1.691 215 HA LEU 26 HA LEU 26 -6.746 15.421 2.804 216 1HB LEU 26 2HB LEU 26 -5.140 12.985 3.076 217 2HB LEU 26 1HB LEU 26 -4.238 14.443 3.490 218 HG LEU 26 HG LEU 26 -6.171 15.130 4.956 219 1HD1 LEU 26 1HD1 LEU 26 -7.540 12.951 5.614 220 2HD1 LEU 26 2HD1 LEU 26 -7.149 12.481 3.960 221 3HD1 LEU 26 3HD1 LEU 26 -8.052 13.964 4.266 222 1HD2 LEU 26 1HD2 LEU 26 -4.248 12.970 5.369 223 2HD2 LEU 26 2HD2 LEU 26 -5.663 12.797 6.408 224 3HD2 LEU 26 3HD2 LEU 26 -4.707 14.279 6.458 225 H LYS 27 H LYS 27 -4.452 14.161 0.391 226 HA LYS 27 HA LYS 27 -3.173 16.849 0.272 227 1HB LYS 27 2HB LYS 27 -2.119 14.800 -1.536 228 2HB LYS 27 1HB LYS 27 -1.271 15.772 -0.333 229 1HG LYS 27 2HG LYS 27 -2.420 14.222 1.408 230 2HG LYS 27 1HG LYS 27 -2.695 13.143 0.039 231 1HD LYS 27 2HD LYS 27 -0.364 12.911 -0.381 232 2HD LYS 27 1HD LYS 27 0.037 14.275 0.663 233 1HE LYS 27 2HE LYS 27 0.234 11.722 1.493 234 2HE LYS 27 1HE LYS 27 -0.175 13.042 2.588 235 1HZ LYS 27 1HZ LYS 27 -2.401 12.496 2.557 236 2HZ LYS 27 2HZ LYS 27 -1.667 10.965 2.526 237 3HZ LYS 27 3HZ LYS 27 -2.293 11.639 1.097 238 H LYS 28 H LYS 28 -2.877 17.793 -1.934 239 HA LYS 28 HA LYS 28 -5.177 18.173 -3.385 240 1HB LYS 28 2HB LYS 28 -3.830 18.840 -5.277 241 2HB LYS 28 1HB LYS 28 -2.957 19.295 -3.814 242 1HG LYS 28 2HG LYS 28 -1.547 17.310 -3.990 243 2HG LYS 28 1HG LYS 28 -2.466 16.748 -5.388 244 1HD LYS 28 2HD LYS 28 -1.583 18.365 -6.797 245 2HD LYS 28 1HD LYS 28 -1.259 19.488 -5.477 246 1HE LYS 28 2HE LYS 28 0.838 18.529 -6.371 247 2HE LYS 28 1HE LYS 28 0.581 18.056 -4.692 248 1HZ LYS 28 1HZ LYS 28 -0.268 15.946 -5.412 249 2HZ LYS 28 2HZ LYS 28 1.254 16.195 -6.122 250 3HZ LYS 28 3HZ LYS 28 -0.159 16.401 -7.042 251 H SER 29 H SER 29 -6.360 17.054 -4.928 252 HA SER 29 HA SER 29 -6.645 14.364 -5.027 253 1HB SER 29 2HB SER 29 -6.591 16.035 -7.556 254 2HB SER 29 1HB SER 29 -7.469 14.528 -7.311 255 HG SER 29 HG SER 29 -9.005 15.675 -6.473 256 H ASN 30 H ASN 30 -4.718 13.198 -4.708 257 HA ASN 30 HA ASN 30 -2.823 13.211 -7.024 258 1HB ASN 30 2HB ASN 30 -2.227 13.797 -4.409 259 2HB ASN 30 1HB ASN 30 -1.866 12.072 -4.475 260 1HD2 ASN 30 1HD2 ASN 30 -1.212 12.290 -7.441 261 2HD2 ASN 30 2HD2 ASN 30 0.328 13.003 -7.490 262 H LEU 31 H LEU 31 -4.824 11.614 -7.596 263 HA LEU 31 HA LEU 31 -3.682 8.935 -7.356 264 1HB LEU 31 2HB LEU 31 -4.944 9.108 -5.240 265 2HB LEU 31 1HB LEU 31 -6.402 9.506 -6.147 266 HG LEU 31 HG LEU 31 -5.359 7.157 -7.333 267 1HD1 LEU 31 1HD1 LEU 31 -5.521 5.672 -5.230 268 2HD1 LEU 31 2HD1 LEU 31 -5.255 7.154 -4.312 269 3HD1 LEU 31 3HD1 LEU 31 -4.031 6.590 -5.450 270 1HD2 LEU 31 1HD2 LEU 31 -7.707 7.827 -5.557 271 2HD2 LEU 31 2HD2 LEU 31 -7.462 6.187 -6.159 272 3HD2 LEU 31 3HD2 LEU 31 -7.696 7.517 -7.293 273 H GLN 32 H GLN 32 -3.913 8.141 -9.379 274 HA GLN 32 HA GLN 32 -6.537 8.383 -10.731 275 1HB GLN 32 2HB GLN 32 -4.629 10.206 -11.383 276 2HB GLN 32 1HB GLN 32 -4.202 8.900 -12.489 277 1HG GLN 32 2HG GLN 32 -5.791 9.943 -13.789 278 2HG GLN 32 1HG GLN 32 -6.856 8.883 -12.865 279 1HE2 GLN 32 1HE2 GLN 32 -7.859 9.881 -10.852 280 2HE2 GLN 32 2HE2 GLN 32 -8.172 11.549 -10.849 281 H LEU 33 H LEU 33 -6.207 6.056 -9.905 282 HA LEU 33 HA LEU 33 -4.343 4.447 -11.530 283 1HB LEU 33 2HB LEU 33 -5.044 2.589 -10.116 284 2HB LEU 33 1HB LEU 33 -4.667 3.979 -9.099 285 HG LEU 33 HG LEU 33 -7.428 4.133 -9.889 286 1HD1 LEU 33 1HD1 LEU 33 -7.230 1.677 -10.194 287 2HD1 LEU 33 2HD1 LEU 33 -8.274 2.087 -8.832 288 3HD1 LEU 33 3HD1 LEU 33 -6.623 1.536 -8.544 289 1HD2 LEU 33 1HD2 LEU 33 -6.389 5.157 -7.884 290 2HD2 LEU 33 2HD2 LEU 33 -6.115 3.548 -7.215 291 3HD2 LEU 33 3HD2 LEU 33 -7.760 4.138 -7.449 292 H ARG 34 H ARG 34 -5.403 2.277 -12.296 293 HA ARG 34 HA ARG 34 -7.935 2.949 -13.743 294 1HB ARG 34 2HB ARG 34 -5.387 1.673 -14.654 295 2HB ARG 34 1HB ARG 34 -6.897 1.102 -15.366 296 1HG ARG 34 2HG ARG 34 -6.190 4.038 -15.202 297 2HG ARG 34 1HG ARG 34 -5.750 3.035 -16.585 298 1HD ARG 34 2HD ARG 34 -8.450 2.453 -16.127 299 2HD ARG 34 1HD ARG 34 -8.327 4.199 -15.910 300 HE ARG 34 HE ARG 34 -6.938 3.319 -18.296 301 1HH1 ARG 34 1HH2 ARG 34 -9.991 4.056 -16.879 302 2HH1 ARG 34 2HH2 ARG 34 -10.737 4.484 -18.383 303 1HH2 ARG 34 1HH1 ARG 34 -7.892 3.873 -20.270 304 2HH2 ARG 34 2HH1 ARG 34 -9.548 4.379 -20.303 305 H ASP 35 H ASP 35 -9.181 0.912 -14.359 306 HA ASP 35 HA ASP 35 -9.567 -0.726 -12.011 307 1HB ASP 35 2HB ASP 35 -10.980 -0.180 -14.406 308 2HB ASP 35 1HB ASP 35 -10.703 -1.922 -14.381 309 H GLN 36 H GLN 36 -8.213 -1.383 -15.247 310 HA GLN 36 HA GLN 36 -7.634 -4.090 -15.045 311 1HB GLN 36 2HB GLN 36 -7.098 -2.484 -16.971 312 2HB GLN 36 1HB GLN 36 -5.614 -2.101 -16.098 313 1HG GLN 36 2HG GLN 36 -4.644 -4.075 -16.651 314 2HG GLN 36 1HG GLN 36 -6.119 -4.988 -16.337 315 1HE2 GLN 36 1HE2 GLN 36 -5.877 -6.190 -18.373 316 2HE2 GLN 36 2HE2 GLN 36 -6.192 -5.445 -19.866 317 H ALA 37 H ALA 37 -5.825 -1.399 -13.589 318 HA ALA 37 HA ALA 37 -3.640 -2.953 -12.603 319 1HB ALA 37 1HB ALA 37 -4.885 -0.351 -11.705 320 2HB ALA 37 2HB ALA 37 -3.373 -0.592 -12.580 321 3HB ALA 37 3HB ALA 37 -3.492 -1.050 -10.881 322 H ILE 38 H ILE 38 -6.268 -1.589 -10.590 323 HA ILE 38 HA ILE 38 -5.914 -3.004 -8.273 324 HB ILE 38 HB ILE 38 -8.556 -2.493 -9.669 325 1HG1 ILE 38 2HG1 ILE 38 -6.818 -0.617 -8.931 326 2HG1 ILE 38 1HG1 ILE 38 -8.547 -0.404 -8.656 327 1HG2 ILE 38 1HG2 ILE 38 -9.438 -2.611 -7.283 328 2HG2 ILE 38 2HG2 ILE 38 -7.895 -3.341 -6.839 329 3HG2 ILE 38 3HG2 ILE 38 -8.958 -4.154 -7.988 330 1HD1 ILE 38 1HD1 ILE 38 -8.366 -1.025 -6.365 331 2HD1 ILE 38 2HD1 ILE 38 -7.012 0.067 -6.656 332 3HD1 ILE 38 3HD1 ILE 38 -6.742 -1.675 -6.591 333 H LEU 39 H LEU 39 -7.479 -4.284 -11.211 334 HA LEU 39 HA LEU 39 -8.053 -6.860 -10.010 335 1HB LEU 39 2HB LEU 39 -7.861 -6.055 -12.928 336 2HB LEU 39 1HB LEU 39 -8.550 -7.564 -12.329 337 HG LEU 39 HG LEU 39 -9.563 -4.760 -11.785 338 1HD1 LEU 39 1HD1 LEU 39 -11.669 -5.945 -12.777 339 2HD1 LEU 39 2HD1 LEU 39 -10.508 -7.115 -13.406 340 3HD1 LEU 39 3HD1 LEU 39 -10.396 -5.419 -13.880 341 1HD2 LEU 39 1HD2 LEU 39 -9.996 -5.819 -9.753 342 2HD2 LEU 39 2HD2 LEU 39 -10.137 -7.412 -10.497 343 3HD2 LEU 39 3HD2 LEU 39 -11.444 -6.240 -10.668 344 H ASP 40 H ASP 40 -5.444 -5.593 -12.043 345 HA ASP 40 HA ASP 40 -4.098 -8.083 -12.458 346 1HB ASP 40 2HB ASP 40 -3.531 -5.236 -12.849 347 2HB ASP 40 1HB ASP 40 -2.094 -6.163 -12.414 348 H ILE 41 H ILE 41 -3.133 -5.443 -10.228 349 HA ILE 41 HA ILE 41 -1.187 -6.749 -8.768 350 HB ILE 41 HB ILE 41 -1.635 -4.510 -8.147 351 1HG1 ILE 41 2HG1 ILE 41 -2.834 -6.132 -5.884 352 2HG1 ILE 41 1HG1 ILE 41 -1.108 -6.100 -6.242 353 1HG2 ILE 41 1HG2 ILE 41 -4.355 -5.310 -8.522 354 2HG2 ILE 41 2HG2 ILE 41 -3.720 -3.680 -8.312 355 3HG2 ILE 41 3HG2 ILE 41 -4.210 -4.624 -6.905 356 1HD1 ILE 41 1HD1 ILE 41 -1.827 -3.410 -6.219 357 2HD1 ILE 41 2HD1 ILE 41 -0.997 -4.271 -4.923 358 3HD1 ILE 41 3HD1 ILE 41 -2.753 -4.104 -4.889 359 H ILE 42 H ILE 42 -4.510 -6.614 -7.451 360 HA ILE 42 HA ILE 42 -4.290 -8.652 -5.581 361 HB ILE 42 HB ILE 42 -6.312 -7.211 -5.954 362 1HG1 ILE 42 2HG1 ILE 42 -6.482 -10.200 -5.645 363 2HG1 ILE 42 1HG1 ILE 42 -6.720 -8.944 -4.430 364 1HG2 ILE 42 1HG2 ILE 42 -7.021 -9.242 -8.083 365 2HG2 ILE 42 2HG2 ILE 42 -6.323 -7.667 -8.461 366 3HG2 ILE 42 3HG2 ILE 42 -7.894 -7.768 -7.666 367 1HD1 ILE 42 1HD1 ILE 42 -8.720 -8.276 -6.089 368 2HD1 ILE 42 2HD1 ILE 42 -8.927 -9.472 -4.810 369 3HD1 ILE 42 3HD1 ILE 42 -8.627 -9.997 -6.466 370 H ARG 43 H ARG 43 -4.929 -9.012 -9.061 371 HA ARG 43 HA ARG 43 -5.427 -11.815 -9.047 372 1HB ARG 43 2HB ARG 43 -5.893 -10.458 -11.019 373 2HB ARG 43 1HB ARG 43 -4.181 -10.081 -11.200 374 1HG ARG 43 2HG ARG 43 -4.723 -12.961 -11.028 375 2HG ARG 43 1HG ARG 43 -5.474 -12.189 -12.425 376 1HD ARG 43 2HD ARG 43 -2.568 -11.779 -11.684 377 2HD ARG 43 1HD ARG 43 -3.106 -13.029 -12.806 378 HE ARG 43 HE ARG 43 -2.921 -10.191 -13.390 379 1HH1 ARG 43 1HH2 ARG 43 -4.610 -13.136 -13.990 380 2HH1 ARG 43 2HH2 ARG 43 -5.149 -12.663 -15.567 381 1HH2 ARG 43 1HH1 ARG 43 -3.615 -9.555 -15.448 382 2HH2 ARG 43 2HH1 ARG 43 -4.586 -10.635 -16.392 383 H TYR 44 H TYR 44 -2.373 -9.996 -9.230 384 HA TYR 44 HA TYR 44 -0.778 -12.411 -9.577 385 1HB TYR 44 2HB TYR 44 -0.043 -9.562 -8.844 386 2HB TYR 44 1HB TYR 44 1.140 -10.845 -9.102 387 HD1 TYR 44 1HD TYR 44 0.742 -12.244 -11.356 388 HD2 TYR 44 2HD TYR 44 -0.593 -8.220 -10.666 389 HE1 TYR 44 1HE TYR 44 0.622 -11.866 -13.803 390 HE2 TYR 44 2HE TYR 44 -0.713 -7.841 -13.115 391 HH TYR 44 HH TYR 44 -0.372 -10.446 -15.395 392 H TYR 45 H TYR 45 -1.650 -10.292 -6.869 393 HA TYR 45 HA TYR 45 -0.063 -11.899 -4.985 394 1HB TYR 45 2HB TYR 45 -1.941 -9.550 -4.620 395 2HB TYR 45 1HB TYR 45 -1.093 -10.339 -3.290 396 HD1 TYR 45 1HD TYR 45 0.935 -9.421 -2.636 397 HD2 TYR 45 2HD TYR 45 -0.331 -9.014 -6.718 398 HE1 TYR 45 1HE TYR 45 2.968 -8.098 -3.136 399 HE2 TYR 45 2HE TYR 45 1.699 -7.690 -7.220 400 HH TYR 45 HH TYR 45 4.361 -7.645 -5.381 401 H THR 46 H THR 46 -3.539 -11.026 -5.203 402 HA THR 46 HA THR 46 -5.403 -12.176 -4.333 403 HB THR 46 HB THR 46 -4.202 -14.809 -4.957 404 HG1 THR 46 1HG THR 46 -3.461 -12.880 -6.448 405 1HG2 THR 46 1HG2 THR 46 -6.701 -13.975 -4.631 406 2HG2 THR 46 2HG2 THR 46 -6.314 -15.244 -5.793 407 3HG2 THR 46 3HG2 THR 46 -6.551 -13.586 -6.344 408 H ARG 47 H ARG 47 -2.597 -12.140 -2.797 409 HA ARG 47 HA ARG 47 -3.121 -14.329 -0.875 410 1HB ARG 47 2HB ARG 47 -0.987 -13.661 0.133 411 2HB ARG 47 1HB ARG 47 -0.790 -13.842 -1.611 412 1HG ARG 47 2HG ARG 47 0.082 -11.757 -1.579 413 2HG ARG 47 1HG ARG 47 -1.572 -11.196 -1.336 414 1HD ARG 47 2HD ARG 47 -1.299 -11.201 1.061 415 2HD ARG 47 1HD ARG 47 0.270 -11.997 0.929 416 HE ARG 47 HE ARG 47 0.316 -9.530 -0.535 417 1HH1 ARG 47 1HH2 ARG 47 0.238 -10.872 2.640 418 2HH1 ARG 47 2HH2 ARG 47 1.074 -9.540 3.367 419 1HH2 ARG 47 1HH1 ARG 47 1.406 -7.784 0.395 420 2HH2 ARG 47 2HH1 ARG 47 1.734 -7.791 2.095 421 H GLU 48 H GLU 48 -4.310 -13.962 0.952 422 HA GLU 48 HA GLU 48 -4.109 -11.685 2.617 423 1HB GLU 48 2HB GLU 48 -6.418 -10.683 2.016 424 2HB GLU 48 1HB GLU 48 -5.061 -10.285 0.963 425 1HG GLU 48 2HG GLU 48 -6.086 -11.244 -0.796 426 2HG GLU 48 1HG GLU 48 -6.262 -12.758 0.090 427 H ALA 49 H ALA 49 -5.959 -11.588 4.213 428 HA ALA 49 HA ALA 49 -7.375 -14.218 4.392 429 1HB ALA 49 1HB ALA 49 -7.128 -13.699 6.975 430 2HB ALA 49 2HB ALA 49 -5.750 -12.737 6.437 431 3HB ALA 49 3HB ALA 49 -5.805 -14.467 6.097 432 H GLY 50 H GLY 50 -8.344 -11.707 3.301 433 1HA GLY 50 2HA GLY 50 -10.908 -11.458 4.049 434 2HA GLY 50 1HA GLY 50 -10.122 -10.597 5.376 435 H VAL 51 H VAL 51 -11.879 -9.362 3.466 436 HA VAL 51 HA VAL 51 -10.473 -8.042 1.361 437 HB VAL 51 HB VAL 51 -12.348 -6.543 1.250 438 1HG1 VAL 51 1HG1 VAL 51 -14.040 -8.669 2.205 439 2HG1 VAL 51 2HG1 VAL 51 -12.625 -9.366 1.417 440 3HG1 VAL 51 3HG1 VAL 51 -13.654 -8.233 0.540 441 1HG2 VAL 51 1HG2 VAL 51 -12.842 -7.442 4.101 442 2HG2 VAL 51 2HG2 VAL 51 -14.053 -6.588 3.145 443 3HG2 VAL 51 3HG2 VAL 51 -12.519 -5.806 3.529 444 H ARG 52 H ARG 52 -11.074 -7.076 4.744 445 HA ARG 52 HA ARG 52 -10.146 -4.496 4.829 446 1HB ARG 52 2HB ARG 52 -10.000 -6.786 6.674 447 2HB ARG 52 1HB ARG 52 -8.757 -5.565 6.954 448 1HG ARG 52 2HG ARG 52 -11.632 -4.761 6.554 449 2HG ARG 52 1HG ARG 52 -11.052 -5.269 8.140 450 1HD ARG 52 2HD ARG 52 -9.500 -3.487 8.269 451 2HD ARG 52 1HD ARG 52 -9.603 -3.161 6.540 452 HE ARG 52 HE ARG 52 -11.537 -2.283 8.583 453 1HH1 ARG 52 1HH2 ARG 52 -10.717 -2.788 5.273 454 2HH1 ARG 52 2HH2 ARG 52 -11.895 -1.667 4.672 455 1HH2 ARG 52 1HH1 ARG 52 -13.078 -0.817 7.820 456 2HH2 ARG 52 2HH1 ARG 52 -13.232 -0.552 6.115 457 H SER 53 H SER 53 -7.988 -7.358 4.921 458 HA SER 53 HA SER 53 -5.561 -5.879 4.725 459 1HB SER 53 2HB SER 53 -5.767 -8.559 3.430 460 2HB SER 53 1HB SER 53 -4.514 -7.923 4.492 461 HG SER 53 HG SER 53 -5.633 -9.285 5.764 462 H LEU 54 H LEU 54 -7.490 -7.480 2.183 463 HA LEU 54 HA LEU 54 -5.955 -6.837 -0.054 464 1HB LEU 54 2HB LEU 54 -8.361 -7.968 0.210 465 2HB LEU 54 1HB LEU 54 -8.900 -6.350 -0.242 466 HG LEU 54 HG LEU 54 -6.869 -7.970 -1.804 467 1HD1 LEU 54 1HD1 LEU 54 -9.168 -7.594 -3.345 468 2HD1 LEU 54 2HD1 LEU 54 -9.783 -8.034 -1.751 469 3HD1 LEU 54 3HD1 LEU 54 -8.657 -9.103 -2.588 470 1HD2 LEU 54 1HD2 LEU 54 -6.425 -5.870 -2.576 471 2HD2 LEU 54 2HD2 LEU 54 -7.933 -5.214 -1.939 472 3HD2 LEU 54 3HD2 LEU 54 -7.926 -6.077 -3.477 473 H GLU 55 H GLU 55 -8.655 -4.818 1.161 474 HA GLU 55 HA GLU 55 -8.189 -2.532 -0.367 475 1HB GLU 55 2HB GLU 55 -10.095 -2.516 1.064 476 2HB GLU 55 1HB GLU 55 -9.117 -2.840 2.496 477 1HG GLU 55 2HG GLU 55 -8.575 -0.363 0.893 478 2HG GLU 55 1HG GLU 55 -9.950 -0.385 1.996 479 H ARG 56 H ARG 56 -6.530 -3.592 2.592 480 HA ARG 56 HA ARG 56 -4.932 -1.250 2.945 481 1HB ARG 56 2HB ARG 56 -5.253 -3.553 4.356 482 2HB ARG 56 1HB ARG 56 -3.680 -3.853 3.613 483 1HG ARG 56 2HG ARG 56 -4.365 -1.298 5.088 484 2HG ARG 56 1HG ARG 56 -3.574 -2.678 5.851 485 1HD ARG 56 2HD ARG 56 -2.007 -2.397 3.656 486 2HD ARG 56 1HD ARG 56 -2.492 -0.720 3.903 487 HE ARG 56 HE ARG 56 -1.076 -0.685 5.777 488 1HH1 ARG 56 1HH2 ARG 56 -2.070 -3.892 4.992 489 2HH1 ARG 56 2HH2 ARG 56 -1.100 -4.635 6.220 490 1HH2 ARG 56 1HH1 ARG 56 0.194 -1.638 7.387 491 2HH2 ARG 56 2HH1 ARG 56 0.183 -3.359 7.574 492 H GLN 57 H GLN 57 -4.422 -4.192 1.014 493 HA GLN 57 HA GLN 57 -1.748 -3.592 0.197 494 1HB GLN 57 2HB GLN 57 -3.220 -5.750 -0.160 495 2HB GLN 57 1HB GLN 57 -3.688 -4.945 -1.658 496 1HG GLN 57 2HG GLN 57 -1.044 -4.574 -1.832 497 2HG GLN 57 1HG GLN 57 -1.033 -6.032 -0.840 498 1HE2 GLN 57 1HE2 GLN 57 -0.621 -7.732 -2.276 499 2HE2 GLN 57 2HE2 GLN 57 -1.450 -7.984 -3.736 500 H LEU 58 H LEU 58 -4.889 -2.884 -1.341 501 HA LEU 58 HA LEU 58 -3.849 -1.452 -3.575 502 1HB LEU 58 2HB LEU 58 -6.448 -0.739 -2.210 503 2HB LEU 58 1HB LEU 58 -6.063 -0.687 -3.931 504 HG LEU 58 HG LEU 58 -6.405 -3.159 -2.214 505 1HD1 LEU 58 1HD1 LEU 58 -8.546 -2.874 -2.894 506 2HD1 LEU 58 2HD1 LEU 58 -7.972 -3.350 -4.493 507 3HD1 LEU 58 3HD1 LEU 58 -8.090 -1.641 -4.070 508 1HD2 LEU 58 1HD2 LEU 58 -5.368 -2.792 -5.034 509 2HD2 LEU 58 2HD2 LEU 58 -6.029 -4.325 -4.467 510 3HD2 LEU 58 3HD2 LEU 58 -4.595 -3.646 -3.698 511 H ALA 59 H ALA 59 -5.075 -0.229 -0.436 512 HA ALA 59 HA ALA 59 -4.469 2.499 -0.848 513 1HB ALA 59 1HB ALA 59 -3.848 1.985 1.846 514 2HB ALA 59 2HB ALA 59 -5.060 0.777 1.420 515 3HB ALA 59 3HB ALA 59 -5.413 2.491 1.207 516 H ALA 60 H ALA 60 -2.418 -0.179 0.218 517 HA ALA 60 HA ALA 60 -0.100 1.274 0.930 518 1HB ALA 60 1HB ALA 60 1.117 -0.775 0.596 519 2HB ALA 60 2HB ALA 60 -0.107 -1.386 -0.518 520 3HB ALA 60 3HB ALA 60 -0.481 -1.218 1.197 521 H ILE 61 H ILE 61 -0.859 -0.182 -2.268 522 HA ILE 61 HA ILE 61 1.389 1.010 -3.585 523 HB ILE 61 HB ILE 61 -0.420 -0.855 -4.322 524 1HG1 ILE 61 2HG1 ILE 61 1.179 0.965 -6.148 525 2HG1 ILE 61 1HG1 ILE 61 1.743 -0.525 -5.390 526 1HG2 ILE 61 1HG2 ILE 61 -1.221 1.626 -5.875 527 2HG2 ILE 61 2HG2 ILE 61 -2.197 0.895 -4.600 528 3HG2 ILE 61 3HG2 ILE 61 -1.865 -0.002 -6.080 529 1HD1 ILE 61 1HD1 ILE 61 -0.663 -1.161 -6.759 530 2HD1 ILE 61 2HD1 ILE 61 0.973 -1.684 -7.157 531 3HD1 ILE 61 3HD1 ILE 61 0.322 -0.208 -7.869 532 H CYS 62 H CYS 62 -2.001 2.052 -3.278 533 HA CYS 62 HA CYS 62 -1.909 4.351 -4.892 534 1HB CYS 62 2HB CYS 62 -3.440 3.710 -2.372 535 2HB CYS 62 1HB CYS 62 -3.647 5.247 -3.208 536 HG CYS 62 HG CYS 62 -4.129 3.579 -5.395 537 H ARG 63 H ARG 63 -1.753 4.566 -1.317 538 HA ARG 63 HA ARG 63 -0.627 7.158 -1.287 539 1HB ARG 63 2HB ARG 63 0.033 6.687 1.026 540 2HB ARG 63 1HB ARG 63 -1.593 6.084 0.710 541 1HG ARG 63 2HG ARG 63 -0.771 4.169 1.652 542 2HG ARG 63 1HG ARG 63 -0.137 3.899 0.030 543 1HD ARG 63 2HD ARG 63 1.781 3.625 1.335 544 2HD ARG 63 1HD ARG 63 1.896 5.326 0.885 545 HE ARG 63 HE ARG 63 0.428 5.114 3.328 546 1HH1 ARG 63 1HH2 ARG 63 3.569 4.703 1.969 547 2HH1 ARG 63 2HH2 ARG 63 4.401 5.076 3.441 548 1HH2 ARG 63 1HH1 ARG 63 1.496 5.605 5.259 549 2HH2 ARG 63 2HH1 ARG 63 3.228 5.586 5.304 550 H LYS 64 H LYS 64 1.067 3.994 -1.100 551 HA LYS 64 HA LYS 64 3.693 4.788 -0.824 552 1HB LYS 64 2HB LYS 64 3.107 2.436 -1.223 553 2HB LYS 64 1HB LYS 64 2.624 2.815 -2.877 554 1HG LYS 64 2HG LYS 64 4.870 1.886 -2.921 555 2HG LYS 64 1HG LYS 64 4.964 3.602 -3.318 556 1HD LYS 64 2HD LYS 64 6.059 4.128 -1.381 557 2HD LYS 64 1HD LYS 64 5.165 2.939 -0.434 558 1HE LYS 64 2HE LYS 64 7.718 2.548 -0.927 559 2HE LYS 64 1HE LYS 64 6.594 1.193 -1.025 560 1HZ LYS 64 1HZ LYS 64 7.204 0.931 -3.121 561 2HZ LYS 64 2HZ LYS 64 8.192 2.312 -3.060 562 3HZ LYS 64 3HZ LYS 64 6.555 2.453 -3.495 563 H ALA 65 H ALA 65 1.624 5.083 -3.653 564 HA ALA 65 HA ALA 65 3.653 6.311 -5.332 565 1HB ALA 65 1HB ALA 65 1.547 5.115 -6.144 566 2HB ALA 65 2HB ALA 65 1.866 6.680 -6.894 567 3HB ALA 65 3HB ALA 65 0.646 6.541 -5.627 568 H ALA 66 H ALA 66 1.041 7.453 -3.205 569 HA ALA 66 HA ALA 66 1.131 10.210 -3.843 570 1HB ALA 66 1HB ALA 66 0.164 10.596 -1.652 571 2HB ALA 66 2HB ALA 66 0.748 9.037 -1.072 572 3HB ALA 66 3HB ALA 66 -0.520 9.105 -2.297 573 H LYS 67 H LYS 67 3.143 8.324 -1.588 574 HA LYS 67 HA LYS 67 4.606 10.424 -0.422 575 1HB LYS 67 2HB LYS 67 5.728 7.742 -1.290 576 2HB LYS 67 1HB LYS 67 6.379 8.794 -0.032 577 1HG LYS 67 2HG LYS 67 3.739 8.496 0.736 578 2HG LYS 67 1HG LYS 67 4.142 6.902 0.097 579 1HD LYS 67 2HD LYS 67 5.800 8.404 2.144 580 2HD LYS 67 1HD LYS 67 4.660 7.114 2.528 581 1HE LYS 67 2HE LYS 67 6.012 5.468 1.656 582 2HE LYS 67 1HE LYS 67 6.704 6.538 0.437 583 1HZ LYS 67 1HZ LYS 67 8.455 6.685 1.771 584 2HZ LYS 67 2HZ LYS 67 7.645 5.935 3.063 585 3HZ LYS 67 3HZ LYS 67 7.496 7.610 2.820 586 H ALA 68 H ALA 68 5.065 8.833 -3.550 587 HA ALA 68 HA ALA 68 7.509 10.049 -4.296 588 1HB ALA 68 1HB ALA 68 5.378 8.590 -5.606 589 2HB ALA 68 2HB ALA 68 7.081 8.698 -6.048 590 3HB ALA 68 3HB ALA 68 5.940 9.909 -6.632 591 H ILE 69 H ILE 69 4.773 11.625 -3.385 592 HA ILE 69 HA ILE 69 4.193 13.619 -5.222 593 HB ILE 69 HB ILE 69 3.216 13.405 -2.909 594 1HG1 ILE 69 2HG1 ILE 69 4.089 16.220 -2.969 595 2HG1 ILE 69 1HG1 ILE 69 3.477 15.626 -4.514 596 1HG2 ILE 69 1HG2 ILE 69 5.761 14.864 -2.131 597 2HG2 ILE 69 2HG2 ILE 69 5.381 13.192 -1.718 598 3HG2 ILE 69 3HG2 ILE 69 4.406 14.506 -1.060 599 1HD1 ILE 69 1HD1 ILE 69 1.738 16.614 -2.910 600 2HD1 ILE 69 2HD1 ILE 69 1.993 15.176 -1.920 601 3HD1 ILE 69 3HD1 ILE 69 1.380 15.015 -3.566 602 H VAL 70 H VAL 70 7.251 12.908 -3.971 603 HA VAL 70 HA VAL 70 8.299 15.654 -4.254 604 HB VAL 70 HB VAL 70 9.832 13.090 -3.757 605 1HG1 VAL 70 1HG1 VAL 70 11.088 15.189 -2.476 606 2HG1 VAL 70 2HG1 VAL 70 10.492 15.947 -3.953 607 3HG1 VAL 70 3HG1 VAL 70 11.551 14.540 -4.049 608 1HG2 VAL 70 1HG2 VAL 70 9.168 14.988 -1.554 609 2HG2 VAL 70 2HG2 VAL 70 9.377 13.237 -1.502 610 3HG2 VAL 70 3HG2 VAL 70 7.875 13.929 -2.116 611 H ALA 71 H ALA 71 7.150 14.267 -6.594 612 HA ALA 71 HA ALA 71 9.426 13.499 -8.271 613 1HB ALA 71 1HB ALA 71 7.465 12.353 -8.864 614 2HB ALA 71 2HB ALA 71 7.544 13.629 -10.080 615 3HB ALA 71 3HB ALA 71 6.462 13.793 -8.697 616 H GLU 72 H GLU 72 8.931 14.725 -10.681 617 HA GLU 72 HA GLU 72 10.154 17.290 -10.335 618 1HB GLU 72 2HB GLU 72 8.593 16.481 -12.790 619 2HB GLU 72 1HB GLU 72 10.031 17.498 -12.692 620 1HG GLU 72 2HG GLU 72 11.209 15.630 -13.180 621 2HG GLU 72 1HG GLU 72 10.857 15.119 -11.529 622 H GLU 73 H GLU 73 6.942 16.682 -11.804 623 HA GLU 73 HA GLU 73 5.598 18.547 -10.047 624 1HB GLU 73 2HB GLU 73 5.288 20.403 -11.497 625 2HB GLU 73 1HB GLU 73 7.010 20.035 -11.602 626 1HG GLU 73 2HG GLU 73 6.396 20.252 -13.857 627 2HG GLU 73 1HG GLU 73 6.317 18.509 -13.602 628 H ARG 74 H ARG 74 5.591 15.979 -12.022 629 HA ARG 74 HA ARG 74 3.182 16.233 -13.544 630 1HB ARG 74 2HB ARG 74 4.995 14.389 -13.659 631 2HB ARG 74 1HB ARG 74 4.124 13.639 -12.321 632 1HG ARG 74 2HG ARG 74 2.026 13.780 -13.723 633 2HG ARG 74 1HG ARG 74 3.040 14.288 -15.073 634 1HD ARG 74 2HD ARG 74 2.682 11.615 -13.914 635 2HD ARG 74 1HD ARG 74 3.269 12.078 -15.510 636 HE ARG 74 HE ARG 74 4.928 11.568 -13.147 637 1HH1 ARG 74 1HH2 ARG 74 4.594 13.041 -16.247 638 2HH1 ARG 74 2HH2 ARG 74 6.298 13.095 -16.553 639 1HH2 ARG 74 1HH1 ARG 74 7.156 11.631 -13.529 640 2HH2 ARG 74 2HH1 ARG 74 7.748 12.297 -15.013 641 H LYS 75 H LYS 75 1.305 16.846 -12.550 642 HA LYS 75 HA LYS 75 0.703 16.059 -9.802 643 1HB LYS 75 2HB LYS 75 -0.067 18.225 -10.589 644 2HB LYS 75 1HB LYS 75 -0.951 17.470 -11.916 645 1HG LYS 75 2HG LYS 75 -2.522 16.466 -10.443 646 2HG LYS 75 1HG LYS 75 -1.512 16.773 -9.030 647 1HD LYS 75 2HD LYS 75 -2.051 19.038 -8.966 648 2HD LYS 75 1HD LYS 75 -2.459 19.092 -10.682 649 1HE LYS 75 2HE LYS 75 -4.437 17.605 -10.165 650 2HE LYS 75 1HE LYS 75 -4.076 17.830 -8.454 651 1HZ LYS 75 1HZ LYS 75 -4.236 20.254 -8.845 652 2HZ LYS 75 2HZ LYS 75 -5.700 19.428 -9.099 653 3HZ LYS 75 3HZ LYS 75 -4.766 19.937 -10.425 654 H ARG 76 H ARG 76 -1.461 14.976 -9.334 655 HA ARG 76 HA ARG 76 -2.779 13.040 -9.500 656 1HB ARG 76 2HB ARG 76 -2.684 14.158 -12.273 657 2HB ARG 76 1HB ARG 76 -3.357 12.542 -12.053 658 1HG ARG 76 2HG ARG 76 -5.171 13.306 -10.872 659 2HG ARG 76 1HG ARG 76 -4.270 14.640 -10.149 660 1HD ARG 76 2HD ARG 76 -4.418 15.947 -12.145 661 2HD ARG 76 1HD ARG 76 -4.987 14.569 -13.086 662 HE ARG 76 HE ARG 76 -6.842 15.017 -10.977 663 1HH1 ARG 76 1HH2 ARG 76 -5.595 16.475 -13.841 664 2HH1 ARG 76 2HH2 ARG 76 -7.058 17.331 -14.202 665 1HH2 ARG 76 1HH1 ARG 76 -8.759 16.125 -11.430 666 2HH2 ARG 76 2HH1 ARG 76 -8.850 17.133 -12.836 667 H ILE 77 H ILE 77 -1.566 11.276 -8.893 668 HA ILE 77 HA ILE 77 0.607 10.291 -10.600 669 HB ILE 77 HB ILE 77 -0.621 9.219 -8.041 670 1HG1 ILE 77 2HG1 ILE 77 2.168 10.290 -8.398 671 2HG1 ILE 77 1HG1 ILE 77 0.823 11.411 -8.180 672 1HG2 ILE 77 1HG2 ILE 77 0.441 7.282 -8.464 673 2HG2 ILE 77 2HG2 ILE 77 1.970 8.158 -8.512 674 3HG2 ILE 77 3HG2 ILE 77 1.045 7.916 -9.994 675 1HD1 ILE 77 1HD1 ILE 77 2.108 10.526 -6.071 676 2HD1 ILE 77 2HD1 ILE 77 1.130 9.078 -6.313 677 3HD1 ILE 77 3HD1 ILE 77 0.347 10.632 -6.029 678 H THR 78 H THR 78 0.178 9.029 -12.335 679 HA THR 78 HA THR 78 -2.411 7.640 -12.525 680 HB THR 78 HB THR 78 -0.671 6.994 -14.707 681 HG1 THR 78 1HG THR 78 -0.221 9.409 -13.554 682 1HG2 THR 78 1HG2 THR 78 -2.370 8.091 -16.000 683 2HG2 THR 78 2HG2 THR 78 -2.894 9.044 -14.612 684 3HG2 THR 78 3HG2 THR 78 -3.187 7.305 -14.648 685 H VAL 79 H VAL 79 -2.653 5.561 -11.893 686 HA VAL 79 HA VAL 79 -0.187 3.888 -11.656 687 HB VAL 79 HB VAL 79 -2.834 3.525 -10.223 688 1HG1 VAL 79 1HG1 VAL 79 -1.364 1.501 -10.590 689 2HG1 VAL 79 2HG1 VAL 79 -1.649 1.896 -8.895 690 3HG1 VAL 79 3HG1 VAL 79 -0.114 2.319 -9.653 691 1HG2 VAL 79 1HG2 VAL 79 -1.636 4.398 -8.242 692 2HG2 VAL 79 2HG2 VAL 79 -1.707 5.608 -9.523 693 3HG2 VAL 79 3HG2 VAL 79 -0.216 4.709 -9.242 694 H THR 80 H THR 80 -0.772 3.720 -14.114 695 HA THR 80 HA THR 80 -3.028 2.124 -14.904 696 HB THR 80 HB THR 80 -2.082 2.136 -17.044 697 HG1 THR 80 1HG THR 80 0.197 2.249 -17.326 698 1HG2 THR 80 1HG2 THR 80 -1.761 4.356 -17.316 699 2HG2 THR 80 2HG2 THR 80 -0.326 4.355 -16.289 700 3HG2 THR 80 3HG2 THR 80 -1.931 4.468 -15.563 701 H GLU 81 H GLU 81 -2.068 -0.010 -16.344 702 HA GLU 81 HA GLU 81 -1.549 -1.952 -14.258 703 1HB GLU 81 2HB GLU 81 -1.549 -3.591 -16.038 704 2HB GLU 81 1HB GLU 81 -2.824 -2.422 -16.385 705 1HG GLU 81 2HG GLU 81 -1.828 -2.354 -18.442 706 2HG GLU 81 1HG GLU 81 -0.736 -1.226 -17.639 707 H LYS 82 H LYS 82 0.422 -0.072 -16.421 708 HA LYS 82 HA LYS 82 2.798 -1.745 -16.123 709 1HB LYS 82 2HB LYS 82 2.106 0.819 -17.463 710 2HB LYS 82 1HB LYS 82 3.789 0.628 -16.968 711 1HG LYS 82 2HG LYS 82 3.814 -1.599 -18.128 712 2HG LYS 82 1HG LYS 82 2.196 -1.248 -18.737 713 1HD LYS 82 2HD LYS 82 2.941 0.389 -20.184 714 2HD LYS 82 1HD LYS 82 4.317 0.812 -19.164 715 1HE LYS 82 2HE LYS 82 5.383 -1.363 -19.769 716 2HE LYS 82 1HE LYS 82 4.043 -1.680 -20.871 717 1HZ LYS 82 1HZ LYS 82 6.275 0.143 -21.148 718 2HZ LYS 82 2HZ LYS 82 4.772 0.776 -21.623 719 3HZ LYS 82 3HZ LYS 82 5.363 -0.646 -22.340 720 H ASN 83 H ASN 83 2.149 1.634 -15.115 721 HA ASN 83 HA ASN 83 4.255 1.961 -13.334 722 1HB ASN 83 2HB ASN 83 1.954 3.375 -13.923 723 2HB ASN 83 1HB ASN 83 1.719 2.947 -12.229 724 1HD2 ASN 83 1HD2 ASN 83 2.122 5.641 -12.784 725 2HD2 ASN 83 2HD2 ASN 83 3.672 6.118 -12.284 726 H LEU 84 H LEU 84 1.183 0.279 -12.771 727 HA LEU 84 HA LEU 84 1.181 -0.207 -10.065 728 1HB LEU 84 2HB LEU 84 -0.452 -1.195 -11.641 729 2HB LEU 84 1HB LEU 84 0.778 -2.327 -12.201 730 HG LEU 84 HG LEU 84 0.032 -2.122 -9.281 731 1HD1 LEU 84 1HD1 LEU 84 -1.984 -3.009 -9.744 732 2HD1 LEU 84 2HD1 LEU 84 -1.156 -4.433 -10.375 733 3HD1 LEU 84 3HD1 LEU 84 -1.595 -3.114 -11.461 734 1HD2 LEU 84 1HD2 LEU 84 1.772 -3.566 -9.189 735 2HD2 LEU 84 2HD2 LEU 84 1.807 -3.757 -10.941 736 3HD2 LEU 84 3HD2 LEU 84 0.710 -4.736 -9.970 737 H GLN 85 H GLN 85 3.296 -1.792 -12.449 738 HA GLN 85 HA GLN 85 4.567 -3.522 -10.513 739 1HB GLN 85 2HB GLN 85 4.674 -4.100 -12.864 740 2HB GLN 85 1HB GLN 85 5.455 -2.565 -13.249 741 1HG GLN 85 2HG GLN 85 7.487 -3.214 -12.362 742 2HG GLN 85 1HG GLN 85 6.746 -4.316 -11.200 743 1HE2 GLN 85 1HE2 GLN 85 5.225 -6.010 -12.764 744 2HE2 GLN 85 2HE2 GLN 85 6.199 -6.818 -13.894 745 H ASP 86 H ASP 86 5.606 -0.464 -12.067 746 HA ASP 86 HA ASP 86 8.068 -0.140 -10.777 747 1HB ASP 86 2HB ASP 86 5.986 1.926 -11.535 748 2HB ASP 86 1HB ASP 86 7.596 2.351 -10.951 749 H PHE 87 H PHE 87 4.828 0.701 -9.554 750 HA PHE 87 HA PHE 87 5.803 1.778 -7.054 751 1HB PHE 87 2HB PHE 87 3.091 0.723 -7.905 752 2HB PHE 87 1HB PHE 87 3.398 1.441 -6.323 753 HD1 PHE 87 1HD PHE 87 4.754 3.768 -6.453 754 HD2 PHE 87 2HD PHE 87 2.295 2.135 -9.575 755 HE1 PHE 87 1HE PHE 87 4.486 6.033 -7.427 756 HE2 PHE 87 2HE PHE 87 2.027 4.400 -10.549 757 HZ PHE 87 HZ PHE 87 3.123 6.349 -9.475 758 H ILE 88 H ILE 88 4.021 -1.268 -7.699 759 HA ILE 88 HA ILE 88 4.569 -2.421 -5.161 760 HB ILE 88 HB ILE 88 3.433 -3.276 -7.696 761 1HG1 ILE 88 2HG1 ILE 88 3.044 -4.341 -4.890 762 2HG1 ILE 88 1HG1 ILE 88 2.266 -2.879 -5.497 763 1HG2 ILE 88 1HG2 ILE 88 5.039 -5.278 -6.086 764 2HG2 ILE 88 2HG2 ILE 88 5.254 -4.873 -7.788 765 3HG2 ILE 88 3HG2 ILE 88 3.803 -5.727 -7.263 766 1HD1 ILE 88 1HD1 ILE 88 1.413 -5.575 -5.830 767 2HD1 ILE 88 2HD1 ILE 88 1.890 -4.975 -7.418 768 3HD1 ILE 88 3HD1 ILE 88 0.667 -4.116 -6.481 769 H GLY 89 H GLY 89 6.219 -2.966 -8.292 770 1HA GLY 89 2HA GLY 89 8.410 -3.685 -8.730 771 2HA GLY 89 1HA GLY 89 8.829 -3.044 -7.139 772 H LYS 90 H LYS 90 8.586 -5.867 -8.939 773 HA LYS 90 HA LYS 90 9.135 -8.066 -8.251 774 1HB LYS 90 2HB LYS 90 10.048 -6.664 -6.142 775 2HB LYS 90 1HB LYS 90 8.686 -7.474 -5.367 776 1HG LYS 90 2HG LYS 90 9.522 -9.654 -6.116 777 2HG LYS 90 1HG LYS 90 10.859 -8.870 -6.956 778 1HD LYS 90 2HD LYS 90 11.603 -7.913 -4.760 779 2HD LYS 90 1HD LYS 90 10.349 -8.869 -3.968 780 1HE LYS 90 2HE LYS 90 12.721 -9.895 -5.547 781 2HE LYS 90 1HE LYS 90 12.385 -10.142 -3.832 782 1HZ LYS 90 1HZ LYS 90 11.387 -12.008 -4.461 783 2HZ LYS 90 2HZ LYS 90 11.401 -11.573 -6.103 784 3HZ LYS 90 3HZ LYS 90 10.143 -11.043 -5.091 785 H ARG 91 H ARG 91 7.864 -9.925 -7.497 786 HA ARG 91 HA ARG 91 5.107 -9.297 -6.590 787 1HB ARG 91 2HB ARG 91 5.816 -10.820 -9.112 788 2HB ARG 91 1HB ARG 91 4.219 -10.867 -8.366 789 1HG ARG 91 2HG ARG 91 4.003 -8.438 -8.611 790 2HG ARG 91 1HG ARG 91 5.629 -8.346 -9.290 791 1HD ARG 91 2HD ARG 91 3.172 -8.893 -10.656 792 2HD ARG 91 1HD ARG 91 4.795 -8.769 -11.334 793 HE ARG 91 HE ARG 91 4.132 -11.348 -10.067 794 1HH1 ARG 91 1HH2 ARG 91 4.371 -9.384 -12.892 795 2HH1 ARG 91 2HH2 ARG 91 4.457 -10.729 -13.980 796 1HH2 ARG 91 1HH1 ARG 91 4.244 -13.113 -11.472 797 2HH2 ARG 91 2HH1 ARG 91 4.385 -12.840 -13.177 798 H ILE 92 H ILE 92 4.052 -11.861 -6.835 799 HA ILE 92 HA ILE 92 5.899 -13.455 -5.101 800 HB ILE 92 HB ILE 92 2.903 -13.758 -5.061 801 1HG1 ILE 92 2HG1 ILE 92 4.580 -11.681 -3.625 802 2HG1 ILE 92 1HG1 ILE 92 3.192 -11.398 -4.678 803 1HG2 ILE 92 1HG2 ILE 92 5.013 -14.079 -2.908 804 2HG2 ILE 92 2HG2 ILE 92 4.450 -15.398 -3.934 805 3HG2 ILE 92 3HG2 ILE 92 3.330 -14.599 -2.830 806 1HD1 ILE 92 1HD1 ILE 92 1.793 -12.714 -3.035 807 2HD1 ILE 92 2HD1 ILE 92 2.416 -11.189 -2.405 808 3HD1 ILE 92 3HD1 ILE 92 3.182 -12.711 -1.948 809 H PHE 93 H PHE 93 2.987 -13.959 -7.137 810 HA PHE 93 HA PHE 93 3.971 -16.630 -7.886 811 1HB PHE 93 2HB PHE 93 1.597 -15.275 -9.146 812 2HB PHE 93 1HB PHE 93 1.847 -16.988 -8.816 813 HD1 PHE 93 1HD PHE 93 2.970 -16.487 -5.943 814 HD2 PHE 93 2HD PHE 93 -0.556 -15.155 -8.005 815 HE1 PHE 93 1HE PHE 93 1.794 -16.242 -3.774 816 HE2 PHE 93 2HE PHE 93 -1.730 -14.910 -5.835 817 HZ PHE 93 HZ PHE 93 -0.556 -15.454 -3.720 818 H ARG 94 H ARG 94 5.398 -16.850 -9.534 819 HA ARG 94 HA ARG 94 5.651 -14.671 -11.521 820 1HB ARG 94 2HB ARG 94 7.312 -17.187 -11.456 821 2HB ARG 94 1HB ARG 94 7.757 -15.587 -12.054 822 1HG ARG 94 2HG ARG 94 7.758 -14.693 -9.785 823 2HG ARG 94 1HG ARG 94 7.189 -16.234 -9.147 824 1HD ARG 94 2HD ARG 94 9.414 -16.987 -10.589 825 2HD ARG 94 1HD ARG 94 9.902 -15.424 -9.934 826 HE ARG 94 HE ARG 94 8.677 -17.169 -7.941 827 1HH1 ARG 94 1HH2 ARG 94 11.529 -16.257 -9.644 828 2HH1 ARG 94 2HH2 ARG 94 12.608 -16.813 -8.408 829 1HH2 ARG 94 1HH1 ARG 94 10.068 -17.903 -6.314 830 2HH2 ARG 94 2HH1 ARG 94 11.780 -17.744 -6.520 831 H TYR 95 H TYR 95 3.829 -14.973 -12.857 832 HA TYR 95 HA TYR 95 2.465 -16.030 -14.463 833 1HB TYR 95 2HB TYR 95 5.268 -16.918 -15.161 834 2HB TYR 95 1HB TYR 95 3.879 -17.334 -16.165 835 HD1 TYR 95 1HD TYR 95 6.455 -15.044 -15.848 836 HD2 TYR 95 2HD TYR 95 2.210 -15.175 -16.489 837 HE1 TYR 95 1HE TYR 95 6.545 -12.803 -16.905 838 HE2 TYR 95 2HE TYR 95 2.300 -12.933 -17.546 839 HH TYR 95 HH TYR 95 4.132 -11.554 -18.774 Start of MODEL 2 1 H ALA 1 H ALA 1 -17.681 -12.185 7.876 2 HA ALA 1 HA ALA 1 -16.468 -14.269 7.903 3 1HB ALA 1 1HB ALA 1 -17.370 -14.718 10.205 4 2HB ALA 1 2HB ALA 1 -17.292 -16.157 9.189 5 3HB ALA 1 3HB ALA 1 -18.837 -15.351 9.456 6 H GLY 2 H GLY 2 -17.354 -13.665 5.641 7 1HA GLY 2 2HA GLY 2 -18.256 -15.935 4.284 8 2HA GLY 2 1HA GLY 2 -19.716 -15.025 4.678 9 H TYR 3 H TYR 3 -16.429 -14.234 3.475 10 HA TYR 3 HA TYR 3 -17.521 -12.062 1.840 11 1HB TYR 3 2HB TYR 3 -14.765 -13.223 2.257 12 2HB TYR 3 1HB TYR 3 -15.070 -12.037 0.988 13 HD1 TYR 3 1HD TYR 3 -16.534 -9.938 1.804 14 HD2 TYR 3 2HD TYR 3 -14.111 -12.412 4.347 15 HE1 TYR 3 1HE TYR 3 -16.418 -8.109 3.474 16 HE2 TYR 3 2HE TYR 3 -13.996 -10.582 6.016 17 HH TYR 3 HH TYR 3 -14.291 -8.272 6.233 18 H THR 4 H THR 4 -18.824 -12.919 0.214 19 HA THR 4 HA THR 4 -17.963 -15.247 -1.337 20 HB THR 4 HB THR 4 -20.002 -14.642 -2.734 21 HG1 THR 4 1HG THR 4 -21.270 -13.097 -1.152 22 1HG2 THR 4 1HG2 THR 4 -21.574 -15.377 -1.028 23 2HG2 THR 4 2HG2 THR 4 -20.465 -14.881 0.251 24 3HG2 THR 4 3HG2 THR 4 -20.046 -16.230 -0.804 25 H GLU 5 H GLU 5 -17.413 -15.178 -3.600 26 HA GLU 5 HA GLU 5 -15.540 -13.269 -4.395 27 1HB GLU 5 2HB GLU 5 -17.381 -14.556 -6.413 28 2HB GLU 5 1HB GLU 5 -15.662 -14.192 -6.565 29 1HG GLU 5 2HG GLU 5 -15.584 -16.483 -6.158 30 2HG GLU 5 1HG GLU 5 -15.435 -15.850 -4.518 31 H ILE 6 H ILE 6 -19.050 -13.246 -5.002 32 HA ILE 6 HA ILE 6 -19.121 -10.908 -6.621 33 HB ILE 6 HB ILE 6 -21.246 -11.691 -4.613 34 1HG1 ILE 6 2HG1 ILE 6 -20.663 -13.721 -5.787 35 2HG1 ILE 6 1HG1 ILE 6 -22.151 -13.104 -6.506 36 1HG2 ILE 6 1HG2 ILE 6 -22.737 -10.798 -6.408 37 2HG2 ILE 6 2HG2 ILE 6 -21.303 -10.335 -7.326 38 3HG2 ILE 6 3HG2 ILE 6 -21.635 -9.579 -5.766 39 1HD1 ILE 6 1HD1 ILE 6 -20.587 -11.896 -8.191 40 2HD1 ILE 6 2HD1 ILE 6 -20.815 -13.635 -8.376 41 3HD1 ILE 6 3HD1 ILE 6 -19.349 -13.015 -7.618 42 H GLU 7 H GLU 7 -19.716 -11.180 -3.094 43 HA GLU 7 HA GLU 7 -19.990 -8.482 -2.470 44 1HB GLU 7 2HB GLU 7 -18.566 -10.675 -0.943 45 2HB GLU 7 1HB GLU 7 -18.869 -9.075 -0.264 46 1HG GLU 7 2HG GLU 7 -21.075 -10.778 -1.439 47 2HG GLU 7 1HG GLU 7 -20.622 -10.861 0.264 48 H LYS 8 H LYS 8 -16.858 -10.208 -2.235 49 HA LYS 8 HA LYS 8 -15.191 -8.002 -1.897 50 1HB LYS 8 2HB LYS 8 -14.592 -10.412 -3.638 51 2HB LYS 8 1HB LYS 8 -13.403 -9.344 -2.892 52 1HG LYS 8 2HG LYS 8 -14.497 -9.956 -0.649 53 2HG LYS 8 1HG LYS 8 -15.307 -11.254 -1.525 54 1HD LYS 8 2HD LYS 8 -12.310 -10.900 -1.674 55 2HD LYS 8 1HD LYS 8 -13.060 -11.813 -0.368 56 1HE LYS 8 2HE LYS 8 -13.462 -12.375 -3.321 57 2HE LYS 8 1HE LYS 8 -12.384 -13.279 -2.259 58 1HZ LYS 8 1HZ LYS 8 -14.085 -14.353 -1.312 59 2HZ LYS 8 2HZ LYS 8 -14.959 -13.894 -2.695 60 3HZ LYS 8 3HZ LYS 8 -15.081 -12.981 -1.268 61 H LEU 9 H LEU 9 -16.528 -9.238 -4.956 62 HA LEU 9 HA LEU 9 -15.056 -7.434 -6.637 63 1HB LEU 9 2HB LEU 9 -16.379 -9.531 -7.327 64 2HB LEU 9 1HB LEU 9 -17.813 -8.510 -7.250 65 HG LEU 9 HG LEU 9 -16.382 -6.885 -8.763 66 1HD1 LEU 9 1HD1 LEU 9 -14.921 -8.197 -10.313 67 2HD1 LEU 9 2HD1 LEU 9 -15.105 -9.594 -9.254 68 3HD1 LEU 9 3HD1 LEU 9 -14.293 -8.143 -8.667 69 1HD2 LEU 9 1HD2 LEU 9 -17.754 -9.436 -9.640 70 2HD2 LEU 9 2HD2 LEU 9 -17.207 -8.216 -10.792 71 3HD2 LEU 9 3HD2 LEU 9 -18.426 -7.807 -9.585 72 H GLU 10 H GLU 10 -18.319 -7.226 -5.208 73 HA GLU 10 HA GLU 10 -19.073 -4.752 -6.360 74 1HB GLU 10 2HB GLU 10 -20.502 -6.349 -4.957 75 2HB GLU 10 1HB GLU 10 -19.780 -5.583 -3.540 76 1HG GLU 10 2HG GLU 10 -21.837 -4.420 -3.985 77 2HG GLU 10 1HG GLU 10 -20.528 -3.354 -4.494 78 H ILE 11 H ILE 11 -17.499 -5.328 -3.187 79 HA ILE 11 HA ILE 11 -17.135 -2.492 -2.712 80 HB ILE 11 HB ILE 11 -15.372 -3.544 -1.002 81 1HG1 ILE 11 2HG1 ILE 11 -17.235 -5.881 -1.171 82 2HG1 ILE 11 1HG1 ILE 11 -15.901 -5.821 -2.322 83 1HG2 ILE 11 1HG2 ILE 11 -18.386 -3.810 -0.802 84 2HG2 ILE 11 2HG2 ILE 11 -17.423 -2.408 -0.338 85 3HG2 ILE 11 3HG2 ILE 11 -17.278 -3.915 0.565 86 1HD1 ILE 11 1HD1 ILE 11 -15.285 -5.254 0.549 87 2HD1 ILE 11 2HD1 ILE 11 -14.286 -6.024 -0.683 88 3HD1 ILE 11 3HD1 ILE 11 -15.594 -6.926 0.083 89 H VAL 12 H VAL 12 -14.633 -5.022 -3.190 90 HA VAL 12 HA VAL 12 -12.407 -3.476 -3.548 91 HB VAL 12 HB VAL 12 -13.199 -5.801 -5.320 92 1HG1 VAL 12 1HG1 VAL 12 -10.583 -4.377 -4.815 93 2HG1 VAL 12 2HG1 VAL 12 -11.350 -4.736 -6.363 94 3HG1 VAL 12 3HG1 VAL 12 -10.640 -6.037 -5.407 95 1HG2 VAL 12 1HG2 VAL 12 -13.139 -6.051 -2.732 96 2HG2 VAL 12 2HG2 VAL 12 -11.394 -5.863 -2.900 97 3HG2 VAL 12 3HG2 VAL 12 -12.215 -7.207 -3.690 98 H LYS 13 H LYS 13 -14.961 -3.888 -5.998 99 HA LYS 13 HA LYS 13 -13.463 -2.257 -7.901 100 1HB LYS 13 2HB LYS 13 -15.057 -4.124 -8.540 101 2HB LYS 13 1HB LYS 13 -16.374 -3.040 -8.091 102 1HG LYS 13 2HG LYS 13 -15.577 -1.374 -9.715 103 2HG LYS 13 1HG LYS 13 -14.235 -2.431 -10.154 104 1HD LYS 13 2HD LYS 13 -16.010 -4.194 -10.721 105 2HD LYS 13 1HD LYS 13 -17.186 -2.883 -10.617 106 1HE LYS 13 2HE LYS 13 -15.823 -1.606 -12.294 107 2HE LYS 13 1HE LYS 13 -14.797 -3.029 -12.475 108 1HZ LYS 13 1HZ LYS 13 -17.708 -3.306 -12.759 109 2HZ LYS 13 2HZ LYS 13 -16.464 -4.226 -13.460 110 3HZ LYS 13 3HZ LYS 13 -16.809 -2.671 -14.050 111 H ASP 14 H ASP 14 -16.282 -1.720 -5.789 112 HA ASP 14 HA ASP 14 -16.669 0.981 -6.834 113 1HB ASP 14 2HB ASP 14 -17.892 -0.550 -4.536 114 2HB ASP 14 1HB ASP 14 -18.316 1.124 -4.898 115 H HIS 15 H HIS 15 -15.447 -0.341 -3.747 116 HA HIS 15 HA HIS 15 -15.042 2.176 -2.495 117 1HB HIS 15 2HB HIS 15 -14.072 0.998 -0.763 118 2HB HIS 15 1HB HIS 15 -14.973 -0.289 -1.560 119 HD1 HIS 15 1HD HIS 15 -11.889 0.020 -0.057 120 HD2 HIS 15 2HD HIS 15 -12.955 -1.221 -3.895 121 HE1 HIS 15 1HE HIS 15 -9.949 -1.356 -0.932 122 HE2 HIS 15 2HE HIS 15 -10.588 -2.117 -3.265 123 H LEU 16 H LEU 16 -12.791 0.281 -4.528 124 HA LEU 16 HA LEU 16 -10.383 1.470 -4.053 125 1HB LEU 16 2HB LEU 16 -9.944 1.434 -6.561 126 2HB LEU 16 1HB LEU 16 -10.465 -0.082 -5.837 127 HG LEU 16 HG LEU 16 -12.854 0.620 -6.508 128 1HD1 LEU 16 1HD1 LEU 16 -12.204 2.057 -8.839 129 2HD1 LEU 16 2HD1 LEU 16 -11.324 2.873 -7.552 130 3HD1 LEU 16 3HD1 LEU 16 -13.071 2.670 -7.436 131 1HD2 LEU 16 1HD2 LEU 16 -10.838 0.064 -8.705 132 2HD2 LEU 16 2HD2 LEU 16 -12.556 -0.329 -8.741 133 3HD2 LEU 16 3HD2 LEU 16 -11.485 -1.158 -7.611 134 H LEU 17 H LEU 17 -13.061 3.114 -5.726 135 HA LEU 17 HA LEU 17 -11.484 5.409 -6.436 136 1HB LEU 17 2HB LEU 17 -14.355 4.689 -6.455 137 2HB LEU 17 1HB LEU 17 -14.019 6.417 -6.330 138 HG LEU 17 HG LEU 17 -12.566 4.752 -8.375 139 1HD1 LEU 17 1HD1 LEU 17 -14.951 4.248 -8.703 140 2HD1 LEU 17 2HD1 LEU 17 -14.359 5.290 -9.997 141 3HD1 LEU 17 3HD1 LEU 17 -15.326 5.971 -8.689 142 1HD2 LEU 17 1HD2 LEU 17 -12.401 6.874 -9.529 143 2HD2 LEU 17 2HD2 LEU 17 -11.949 7.150 -7.848 144 3HD2 LEU 17 3HD2 LEU 17 -13.549 7.622 -8.418 145 HA PRO 18 HA PRO 18 -13.250 7.771 -2.659 146 1HB PRO 18 2HB PRO 18 -14.808 6.410 -0.852 147 2HB PRO 18 1HB PRO 18 -15.467 7.269 -2.259 148 1HG PRO 18 2HG PRO 18 -14.871 4.362 -1.933 149 2HG PRO 18 1HG PRO 18 -16.294 5.144 -2.647 150 1HD PRO 18 2HD PRO 18 -14.331 4.131 -4.203 151 2HD PRO 18 1HD PRO 18 -15.202 5.617 -4.647 152 H LYS 19 H LYS 19 -12.756 4.339 -1.741 153 HA LYS 19 HA LYS 19 -11.618 4.669 0.776 154 1HB LYS 19 2HB LYS 19 -11.928 2.542 -0.856 155 2HB LYS 19 1HB LYS 19 -10.192 2.780 -1.042 156 1HG LYS 19 2HG LYS 19 -11.653 2.480 1.601 157 2HG LYS 19 1HG LYS 19 -10.681 1.231 0.821 158 1HD LYS 19 2HD LYS 19 -8.747 2.903 0.868 159 2HD LYS 19 1HD LYS 19 -9.743 3.874 1.954 160 1HE LYS 19 2HE LYS 19 -9.973 1.815 3.415 161 2HE LYS 19 1HE LYS 19 -8.745 1.051 2.406 162 1HZ LYS 19 1HZ LYS 19 -8.318 2.708 4.560 163 2HZ LYS 19 2HZ LYS 19 -7.939 3.654 3.200 164 3HZ LYS 19 3HZ LYS 19 -7.157 2.166 3.449 165 H GLN 20 H GLN 20 -9.847 4.790 -2.332 166 HA GLN 20 HA GLN 20 -7.398 5.685 -1.007 167 1HB GLN 20 2HB GLN 20 -7.927 5.847 -3.971 168 2HB GLN 20 1HB GLN 20 -6.397 5.579 -3.138 169 1HG GLN 20 2HG GLN 20 -8.706 3.615 -3.074 170 2HG GLN 20 1HG GLN 20 -7.364 3.512 -4.211 171 1HE2 GLN 20 1HE2 GLN 20 -7.808 3.923 -0.644 172 2HE2 GLN 20 2HE2 GLN 20 -6.537 2.878 -0.225 173 H ILE 21 H ILE 21 -9.612 7.189 -3.385 174 HA ILE 21 HA ILE 21 -8.505 9.733 -3.492 175 HB ILE 21 HB ILE 21 -11.396 8.861 -3.563 176 1HG1 ILE 21 2HG1 ILE 21 -9.939 8.138 -5.423 177 2HG1 ILE 21 1HG1 ILE 21 -11.133 9.308 -5.978 178 1HG2 ILE 21 1HG2 ILE 21 -11.586 11.120 -2.878 179 2HG2 ILE 21 2HG2 ILE 21 -11.736 11.180 -4.635 180 3HG2 ILE 21 3HG2 ILE 21 -10.212 11.621 -3.864 181 1HD1 ILE 21 1HD1 ILE 21 -9.288 10.285 -6.925 182 2HD1 ILE 21 2HD1 ILE 21 -8.180 9.570 -5.758 183 3HD1 ILE 21 3HD1 ILE 21 -9.112 11.001 -5.325 184 H LYS 22 H LYS 22 -10.621 8.470 -0.920 185 HA LYS 22 HA LYS 22 -10.934 11.000 0.406 186 1HB LYS 22 2HB LYS 22 -12.405 9.053 0.834 187 2HB LYS 22 1HB LYS 22 -11.050 8.211 1.585 188 1HG LYS 22 2HG LYS 22 -10.930 9.784 3.373 189 2HG LYS 22 1HG LYS 22 -11.981 10.926 2.536 190 1HD LYS 22 2HD LYS 22 -13.327 9.856 4.213 191 2HD LYS 22 1HD LYS 22 -13.813 9.173 2.662 192 1HE LYS 22 2HE LYS 22 -13.471 7.464 4.493 193 2HE LYS 22 1HE LYS 22 -12.505 7.181 3.046 194 1HZ LYS 22 1HZ LYS 22 -10.620 7.524 4.156 195 2HZ LYS 22 2HZ LYS 22 -11.543 7.333 5.570 196 3HZ LYS 22 3HZ LYS 22 -11.220 8.888 4.966 197 H GLU 23 H GLU 23 -9.269 8.296 1.989 198 HA GLU 23 HA GLU 23 -7.680 9.715 3.732 199 1HB GLU 23 2HB GLU 23 -7.693 7.247 3.624 200 2HB GLU 23 1HB GLU 23 -6.778 7.308 2.117 201 1HG GLU 23 2HG GLU 23 -4.884 8.316 3.226 202 2HG GLU 23 1HG GLU 23 -5.803 8.515 4.718 203 H HIS 24 H HIS 24 -7.070 9.166 0.303 204 HA HIS 24 HA HIS 24 -4.532 10.632 0.348 205 1HB HIS 24 2HB HIS 24 -6.198 9.845 -2.062 206 2HB HIS 24 1HB HIS 24 -4.471 10.203 -2.024 207 HD1 HIS 24 1HD HIS 24 -6.184 8.049 0.568 208 HD2 HIS 24 2HD HIS 24 -3.617 7.586 -2.683 209 HE1 HIS 24 1HE HIS 24 -5.362 5.653 0.637 210 HE2 HIS 24 2HE HIS 24 -3.797 5.364 -1.336 211 H GLY 25 H GLY 25 -7.884 11.196 -0.579 212 1HA GLY 25 2HA GLY 25 -7.881 13.579 -1.932 213 2HA GLY 25 1HA GLY 25 -9.060 13.243 -0.666 214 H LEU 26 H LEU 26 -7.187 13.180 1.530 215 HA LEU 26 HA LEU 26 -7.239 15.720 2.546 216 1HB LEU 26 2HB LEU 26 -5.189 13.544 2.809 217 2HB LEU 26 1HB LEU 26 -4.849 15.113 3.538 218 HG LEU 26 HG LEU 26 -6.955 15.009 4.795 219 1HD1 LEU 26 1HD1 LEU 26 -8.360 13.773 3.290 220 2HD1 LEU 26 2HD1 LEU 26 -8.206 12.798 4.751 221 3HD1 LEU 26 3HD1 LEU 26 -7.270 12.388 3.314 222 1HD2 LEU 26 1HD2 LEU 26 -4.813 13.910 5.640 223 2HD2 LEU 26 2HD2 LEU 26 -5.497 12.373 5.111 224 3HD2 LEU 26 3HD2 LEU 26 -6.305 13.314 6.365 225 H LYS 27 H LYS 27 -4.839 14.527 0.210 226 HA LYS 27 HA LYS 27 -3.719 17.279 -0.021 227 1HB LYS 27 2HB LYS 27 -2.820 14.594 -1.113 228 2HB LYS 27 1HB LYS 27 -2.054 16.123 -1.545 229 1HG LYS 27 2HG LYS 27 -1.308 16.508 0.670 230 2HG LYS 27 1HG LYS 27 -2.408 15.302 1.338 231 1HD LYS 27 2HD LYS 27 -0.080 14.459 1.255 232 2HD LYS 27 1HD LYS 27 -1.150 13.510 0.223 233 1HE LYS 27 2HE LYS 27 -0.347 14.569 -1.757 234 2HE LYS 27 1HE LYS 27 0.460 15.839 -0.836 235 1HZ LYS 27 1HZ LYS 27 1.226 13.009 -1.145 236 2HZ LYS 27 2HZ LYS 27 1.767 13.909 0.191 237 3HZ LYS 27 3HZ LYS 27 2.167 14.399 -1.387 238 H LYS 28 H LYS 28 -3.455 18.085 -2.332 239 HA LYS 28 HA LYS 28 -5.873 18.263 -3.706 240 1HB LYS 28 2HB LYS 28 -4.060 19.723 -4.325 241 2HB LYS 28 1HB LYS 28 -3.045 18.358 -4.793 242 1HG LYS 28 2HG LYS 28 -4.238 17.957 -6.753 243 2HG LYS 28 1HG LYS 28 -5.706 18.716 -6.140 244 1HD LYS 28 2HD LYS 28 -3.282 20.444 -6.459 245 2HD LYS 28 1HD LYS 28 -4.136 19.952 -7.920 246 1HE LYS 28 2HE LYS 28 -4.875 22.153 -6.739 247 2HE LYS 28 1HE LYS 28 -6.123 21.031 -7.280 248 1HZ LYS 28 1HZ LYS 28 -5.905 20.045 -4.949 249 2HZ LYS 28 2HZ LYS 28 -6.717 21.528 -5.109 250 3HZ LYS 28 3HZ LYS 28 -5.116 21.492 -4.544 251 H SER 29 H SER 29 -6.603 17.213 -5.733 252 HA SER 29 HA SER 29 -6.803 14.443 -5.645 253 1HB SER 29 2HB SER 29 -7.515 14.507 -7.937 254 2HB SER 29 1HB SER 29 -8.022 16.034 -7.220 255 HG SER 29 HG SER 29 -5.590 16.434 -8.060 256 H ASN 30 H ASN 30 -4.801 13.482 -5.085 257 HA ASN 30 HA ASN 30 -2.690 13.583 -7.202 258 1HB ASN 30 2HB ASN 30 -2.127 14.461 -4.878 259 2HB ASN 30 1HB ASN 30 -2.299 12.800 -4.307 260 1HD2 ASN 30 1HD2 ASN 30 -0.657 14.485 -7.061 261 2HD2 ASN 30 2HD2 ASN 30 0.781 13.592 -6.932 262 H LEU 31 H LEU 31 -4.741 11.807 -7.687 263 HA LEU 31 HA LEU 31 -3.292 9.281 -7.633 264 1HB LEU 31 2HB LEU 31 -4.394 9.356 -5.375 265 2HB LEU 31 1HB LEU 31 -5.952 9.416 -6.195 266 HG LEU 31 HG LEU 31 -5.364 7.274 -7.358 267 1HD1 LEU 31 1HD1 LEU 31 -3.475 6.014 -5.973 268 2HD1 LEU 31 2HD1 LEU 31 -2.887 7.655 -5.708 269 3HD1 LEU 31 3HD1 LEU 31 -3.054 7.032 -7.349 270 1HD2 LEU 31 1HD2 LEU 31 -5.727 5.858 -5.364 271 2HD2 LEU 31 2HD2 LEU 31 -6.748 7.295 -5.319 272 3HD2 LEU 31 3HD2 LEU 31 -5.293 7.216 -4.326 273 H GLN 32 H GLN 32 -3.840 8.127 -9.440 274 HA GLN 32 HA GLN 32 -6.530 8.438 -10.622 275 1HB GLN 32 2HB GLN 32 -4.290 9.928 -11.581 276 2HB GLN 32 1HB GLN 32 -4.634 8.687 -12.781 277 1HG GLN 32 2HG GLN 32 -5.940 10.694 -13.274 278 2HG GLN 32 1HG GLN 32 -7.020 9.387 -12.787 279 1HE2 GLN 32 1HE2 GLN 32 -8.538 10.000 -11.247 280 2HE2 GLN 32 2HE2 GLN 32 -8.342 11.261 -10.128 281 H LEU 33 H LEU 33 -6.390 6.165 -9.770 282 HA LEU 33 HA LEU 33 -4.680 4.351 -11.365 283 1HB LEU 33 2HB LEU 33 -5.640 2.586 -9.847 284 2HB LEU 33 1HB LEU 33 -4.768 3.861 -9.001 285 HG LEU 33 HG LEU 33 -7.024 5.019 -8.684 286 1HD1 LEU 33 1HD1 LEU 33 -7.868 2.480 -10.003 287 2HD1 LEU 33 2HD1 LEU 33 -8.617 4.074 -10.045 288 3HD1 LEU 33 3HD1 LEU 33 -8.846 3.032 -8.644 289 1HD2 LEU 33 1HD2 LEU 33 -7.586 3.619 -6.746 290 2HD2 LEU 33 2HD2 LEU 33 -5.836 3.777 -6.897 291 3HD2 LEU 33 3HD2 LEU 33 -6.633 2.293 -7.414 292 H ARG 34 H ARG 34 -5.886 2.251 -12.042 293 HA ARG 34 HA ARG 34 -8.538 2.954 -13.242 294 1HB ARG 34 2HB ARG 34 -6.148 1.628 -14.540 295 2HB ARG 34 1HB ARG 34 -7.774 1.508 -15.209 296 1HG ARG 34 2HG ARG 34 -7.903 3.992 -15.271 297 2HG ARG 34 1HG ARG 34 -6.240 4.071 -14.690 298 1HD ARG 34 2HD ARG 34 -5.400 3.024 -16.670 299 2HD ARG 34 1HD ARG 34 -7.020 2.559 -17.191 300 HE ARG 34 HE ARG 34 -7.326 4.751 -18.031 301 1HH1 ARG 34 1HH2 ARG 34 -4.600 4.499 -15.938 302 2HH1 ARG 34 2HH2 ARG 34 -4.012 6.089 -16.293 303 1HH2 ARG 34 1HH1 ARG 34 -6.573 6.830 -18.509 304 2HH2 ARG 34 2HH1 ARG 34 -5.129 7.408 -17.748 305 H ASP 35 H ASP 35 -9.846 1.002 -13.761 306 HA ASP 35 HA ASP 35 -9.945 -0.840 -11.593 307 1HB ASP 35 2HB ASP 35 -11.043 -1.302 -14.380 308 2HB ASP 35 1HB ASP 35 -11.621 -2.018 -12.876 309 H GLN 36 H GLN 36 -8.705 -1.267 -14.921 310 HA GLN 36 HA GLN 36 -7.910 -3.956 -14.727 311 1HB GLN 36 2HB GLN 36 -6.259 -3.442 -16.474 312 2HB GLN 36 1HB GLN 36 -7.784 -2.622 -16.815 313 1HG GLN 36 2HG GLN 36 -6.792 -0.603 -15.577 314 2HG GLN 36 1HG GLN 36 -5.241 -1.435 -15.695 315 1HE2 GLN 36 1HE2 GLN 36 -4.275 -0.009 -17.255 316 2HE2 GLN 36 2HE2 GLN 36 -4.863 0.146 -18.840 317 H ALA 37 H ALA 37 -6.171 -1.034 -13.669 318 HA ALA 37 HA ALA 37 -3.720 -2.201 -12.936 319 1HB ALA 37 1HB ALA 37 -3.412 -0.333 -11.456 320 2HB ALA 37 2HB ALA 37 -5.153 -0.091 -11.303 321 3HB ALA 37 3HB ALA 37 -4.344 0.260 -12.831 322 H ILE 38 H ILE 38 -6.291 -1.467 -10.550 323 HA ILE 38 HA ILE 38 -5.317 -3.092 -8.488 324 HB ILE 38 HB ILE 38 -8.163 -2.391 -9.250 325 1HG1 ILE 38 2HG1 ILE 38 -6.443 -1.432 -6.947 326 2HG1 ILE 38 1HG1 ILE 38 -6.510 -0.604 -8.502 327 1HG2 ILE 38 1HG2 ILE 38 -7.083 -3.945 -6.894 328 2HG2 ILE 38 2HG2 ILE 38 -8.423 -4.365 -7.959 329 3HG2 ILE 38 3HG2 ILE 38 -8.602 -3.053 -6.796 330 1HD1 ILE 38 1HD1 ILE 38 -8.195 -0.087 -6.407 331 2HD1 ILE 38 2HD1 ILE 38 -9.152 -1.236 -7.342 332 3HD1 ILE 38 3HD1 ILE 38 -8.577 0.253 -8.095 333 H LEU 39 H LEU 39 -7.686 -4.010 -11.011 334 HA LEU 39 HA LEU 39 -8.126 -6.663 -10.298 335 1HB LEU 39 2HB LEU 39 -8.362 -5.079 -12.708 336 2HB LEU 39 1HB LEU 39 -7.768 -6.685 -13.121 337 HG LEU 39 HG LEU 39 -10.137 -6.303 -11.282 338 1HD1 LEU 39 1HD1 LEU 39 -10.074 -6.454 -14.306 339 2HD1 LEU 39 2HD1 LEU 39 -10.770 -5.174 -13.313 340 3HD1 LEU 39 3HD1 LEU 39 -11.521 -6.769 -13.348 341 1HD2 LEU 39 1HD2 LEU 39 -8.937 -8.516 -11.411 342 2HD2 LEU 39 2HD2 LEU 39 -9.334 -8.576 -13.127 343 3HD2 LEU 39 3HD2 LEU 39 -10.622 -8.598 -11.924 344 H ASP 40 H ASP 40 -5.344 -5.325 -12.039 345 HA ASP 40 HA ASP 40 -4.055 -7.834 -12.553 346 1HB ASP 40 2HB ASP 40 -2.725 -5.143 -12.126 347 2HB ASP 40 1HB ASP 40 -2.071 -6.519 -13.013 348 H ILE 41 H ILE 41 -3.448 -5.403 -9.985 349 HA ILE 41 HA ILE 41 -1.476 -6.683 -8.526 350 HB ILE 41 HB ILE 41 -3.914 -5.190 -7.528 351 1HG1 ILE 41 2HG1 ILE 41 -0.988 -4.408 -7.651 352 2HG1 ILE 41 1HG1 ILE 41 -2.159 -4.007 -8.908 353 1HG2 ILE 41 1HG2 ILE 41 -1.559 -6.337 -6.017 354 2HG2 ILE 41 2HG2 ILE 41 -3.275 -6.519 -5.657 355 3HG2 ILE 41 3HG2 ILE 41 -2.481 -4.966 -5.401 356 1HD1 ILE 41 1HD1 ILE 41 -2.105 -3.070 -6.036 357 2HD1 ILE 41 2HD1 ILE 41 -3.560 -2.953 -7.024 358 3HD1 ILE 41 3HD1 ILE 41 -2.098 -2.092 -7.502 359 H ILE 42 H ILE 42 -4.824 -7.010 -7.350 360 HA ILE 42 HA ILE 42 -4.568 -9.262 -5.802 361 HB ILE 42 HB ILE 42 -6.708 -8.100 -6.073 362 1HG1 ILE 42 2HG1 ILE 42 -7.004 -10.980 -6.976 363 2HG1 ILE 42 1HG1 ILE 42 -6.627 -10.513 -5.318 364 1HG2 ILE 42 1HG2 ILE 42 -6.423 -7.791 -8.570 365 2HG2 ILE 42 2HG2 ILE 42 -8.036 -8.303 -8.074 366 3HG2 ILE 42 3HG2 ILE 42 -6.911 -9.474 -8.765 367 1HD1 ILE 42 1HD1 ILE 42 -8.704 -9.287 -5.123 368 2HD1 ILE 42 2HD1 ILE 42 -9.080 -10.899 -5.729 369 3HD1 ILE 42 3HD1 ILE 42 -9.058 -9.525 -6.834 370 H ARG 43 H ARG 43 -4.814 -9.217 -9.344 371 HA ARG 43 HA ARG 43 -5.052 -11.985 -9.816 372 1HB ARG 43 2HB ARG 43 -4.693 -9.752 -11.397 373 2HB ARG 43 1HB ARG 43 -3.178 -10.614 -11.643 374 1HG ARG 43 2HG ARG 43 -5.915 -11.896 -11.918 375 2HG ARG 43 1HG ARG 43 -4.987 -11.251 -13.272 376 1HD ARG 43 2HD ARG 43 -3.965 -13.382 -11.377 377 2HD ARG 43 1HD ARG 43 -4.677 -13.716 -12.955 378 HE ARG 43 HE ARG 43 -2.591 -11.831 -13.339 379 1HH1 ARG 43 1HH2 ARG 43 -3.120 -15.075 -12.302 380 2HH1 ARG 43 2HH2 ARG 43 -1.580 -15.644 -12.852 381 1HH2 ARG 43 1HH1 ARG 43 -0.576 -12.554 -14.064 382 2HH2 ARG 43 2HH1 ARG 43 -0.139 -14.215 -13.850 383 H TYR 44 H TYR 44 -2.040 -10.073 -9.405 384 HA TYR 44 HA TYR 44 -0.410 -12.505 -9.498 385 1HB TYR 44 2HB TYR 44 0.544 -9.838 -8.467 386 2HB TYR 44 1HB TYR 44 1.452 -11.078 -9.333 387 HD1 TYR 44 1HD TYR 44 0.481 -7.906 -9.784 388 HD2 TYR 44 2HD TYR 44 -0.176 -11.729 -11.632 389 HE1 TYR 44 1HE TYR 44 -0.026 -6.782 -11.934 390 HE2 TYR 44 2HE TYR 44 -0.685 -10.604 -13.779 391 HH TYR 44 HH TYR 44 -0.108 -8.377 -14.869 392 H TYR 45 H TYR 45 -1.512 -10.240 -6.991 393 HA TYR 45 HA TYR 45 -0.117 -11.597 -4.851 394 1HB TYR 45 2HB TYR 45 -2.403 -9.618 -4.904 395 2HB TYR 45 1HB TYR 45 -1.728 -10.255 -3.405 396 HD1 TYR 45 1HD TYR 45 0.054 -9.118 -2.414 397 HD2 TYR 45 2HD TYR 45 -0.600 -8.727 -6.638 398 HE1 TYR 45 1HE TYR 45 1.908 -7.484 -2.552 399 HE2 TYR 45 2HE TYR 45 1.251 -7.092 -6.780 400 HH TYR 45 HH TYR 45 3.324 -6.428 -4.003 401 H THR 46 H THR 46 -3.578 -11.517 -5.785 402 HA THR 46 HA THR 46 -5.302 -13.014 -5.254 403 HB THR 46 HB THR 46 -3.301 -15.244 -5.145 404 HG1 THR 46 1HG THR 46 -3.804 -13.535 -7.333 405 1HG2 THR 46 1HG2 THR 46 -5.826 -15.520 -5.136 406 2HG2 THR 46 2HG2 THR 46 -4.978 -16.401 -6.408 407 3HG2 THR 46 3HG2 THR 46 -5.819 -14.897 -6.785 408 H ARG 47 H ARG 47 -3.155 -12.068 -3.093 409 HA ARG 47 HA ARG 47 -3.495 -14.107 -1.024 410 1HB ARG 47 2HB ARG 47 -2.297 -12.531 0.422 411 2HB ARG 47 1HB ARG 47 -1.470 -12.673 -1.126 412 1HG ARG 47 2HG ARG 47 -1.531 -10.394 -1.124 413 2HG ARG 47 1HG ARG 47 -3.199 -10.607 -1.651 414 1HD ARG 47 2HD ARG 47 -3.486 -9.197 0.183 415 2HD ARG 47 1HD ARG 47 -3.675 -10.774 0.949 416 HE ARG 47 HE ARG 47 -1.688 -10.347 2.136 417 1HH1 ARG 47 1HH2 ARG 47 -1.936 -8.399 -0.698 418 2HH1 ARG 47 2HH2 ARG 47 -0.502 -7.489 -0.358 419 1HH2 ARG 47 1HH1 ARG 47 0.186 -9.170 2.596 420 2HH2 ARG 47 2HH1 ARG 47 0.700 -7.926 1.507 421 H GLU 48 H GLU 48 -5.351 -14.312 0.108 422 HA GLU 48 HA GLU 48 -7.280 -12.065 0.147 423 1HB GLU 48 2HB GLU 48 -8.621 -13.965 1.440 424 2HB GLU 48 1HB GLU 48 -8.461 -14.010 -0.316 425 1HG GLU 48 2HG GLU 48 -6.604 -15.559 -0.172 426 2HG GLU 48 1HG GLU 48 -6.567 -15.416 1.587 427 H ALA 49 H ALA 49 -7.279 -14.298 2.799 428 HA ALA 49 HA ALA 49 -6.987 -13.946 5.100 429 1HB ALA 49 1HB ALA 49 -4.608 -13.499 4.141 430 2HB ALA 49 2HB ALA 49 -4.971 -12.928 5.769 431 3HB ALA 49 3HB ALA 49 -4.984 -11.799 4.415 432 H GLY 50 H GLY 50 -9.226 -12.866 4.626 433 1HA GLY 50 2HA GLY 50 -10.707 -11.186 5.343 434 2HA GLY 50 1HA GLY 50 -9.343 -10.422 6.162 435 H VAL 51 H VAL 51 -11.581 -9.799 3.880 436 HA VAL 51 HA VAL 51 -10.214 -8.785 1.633 437 HB VAL 51 HB VAL 51 -12.140 -7.268 1.348 438 1HG1 VAL 51 1HG1 VAL 51 -13.928 -9.013 1.445 439 2HG1 VAL 51 2HG1 VAL 51 -12.834 -10.036 2.377 440 3HG1 VAL 51 3HG1 VAL 51 -12.436 -9.605 0.714 441 1HG2 VAL 51 1HG2 VAL 51 -12.504 -6.463 3.571 442 2HG2 VAL 51 2HG2 VAL 51 -12.683 -8.098 4.208 443 3HG2 VAL 51 3HG2 VAL 51 -13.934 -7.414 3.169 444 H ARG 52 H ARG 52 -10.798 -7.270 4.796 445 HA ARG 52 HA ARG 52 -9.960 -4.664 4.346 446 1HB ARG 52 2HB ARG 52 -9.658 -6.544 6.657 447 2HB ARG 52 1HB ARG 52 -8.758 -5.029 6.711 448 1HG ARG 52 2HG ARG 52 -11.679 -4.992 5.988 449 2HG ARG 52 1HG ARG 52 -11.202 -5.118 7.681 450 1HD ARG 52 2HD ARG 52 -10.238 -3.003 7.710 451 2HD ARG 52 1HD ARG 52 -9.905 -3.015 5.979 452 HE ARG 52 HE ARG 52 -12.098 -2.200 5.592 453 1HH1 ARG 52 1HH2 ARG 52 -11.628 -3.293 8.830 454 2HH1 ARG 52 2HH2 ARG 52 -13.130 -2.650 9.404 455 1HH2 ARG 52 1HH1 ARG 52 -14.060 -1.358 6.325 456 2HH2 ARG 52 2HH1 ARG 52 -14.507 -1.554 7.987 457 H SER 53 H SER 53 -7.906 -7.544 4.679 458 HA SER 53 HA SER 53 -5.395 -6.200 4.640 459 1HB SER 53 2HB SER 53 -6.001 -8.904 3.430 460 2HB SER 53 1HB SER 53 -4.439 -8.325 4.001 461 HG SER 53 HG SER 53 -6.750 -8.550 5.633 462 H LEU 54 H LEU 54 -7.173 -7.722 1.936 463 HA LEU 54 HA LEU 54 -5.486 -6.947 -0.160 464 1HB LEU 54 2HB LEU 54 -7.681 -8.314 -0.260 465 2HB LEU 54 1HB LEU 54 -8.494 -6.755 -0.391 466 HG LEU 54 HG LEU 54 -6.710 -6.319 -2.294 467 1HD1 LEU 54 1HD1 LEU 54 -6.857 -9.347 -2.156 468 2HD1 LEU 54 2HD1 LEU 54 -5.411 -8.359 -1.958 469 3HD1 LEU 54 3HD1 LEU 54 -6.216 -8.440 -3.525 470 1HD2 LEU 54 1HD2 LEU 54 -9.096 -8.167 -2.624 471 2HD2 LEU 54 2HD2 LEU 54 -8.306 -7.292 -3.936 472 3HD2 LEU 54 3HD2 LEU 54 -9.133 -6.404 -2.657 473 H GLU 55 H GLU 55 -8.273 -5.108 1.122 474 HA GLU 55 HA GLU 55 -7.933 -2.762 -0.392 475 1HB GLU 55 2HB GLU 55 -8.741 -2.867 2.530 476 2HB GLU 55 1HB GLU 55 -9.161 -1.616 1.359 477 1HG GLU 55 2HG GLU 55 -10.263 -3.492 -0.008 478 2HG GLU 55 1HG GLU 55 -10.109 -4.484 1.441 479 H ARG 56 H ARG 56 -6.292 -3.794 2.590 480 HA ARG 56 HA ARG 56 -4.869 -1.361 3.057 481 1HB ARG 56 2HB ARG 56 -5.054 -3.328 4.648 482 2HB ARG 56 1HB ARG 56 -3.856 -4.154 3.652 483 1HG ARG 56 2HG ARG 56 -2.188 -2.511 4.118 484 2HG ARG 56 1HG ARG 56 -3.372 -1.406 4.818 485 1HD ARG 56 2HD ARG 56 -1.855 -2.889 6.393 486 2HD ARG 56 1HD ARG 56 -3.553 -2.629 6.790 487 HE ARG 56 HE ARG 56 -3.678 -4.905 5.287 488 1HH1 ARG 56 1HH2 ARG 56 -1.664 -3.868 7.888 489 2HH1 ARG 56 2HH2 ARG 56 -1.416 -5.467 8.507 490 1HH2 ARG 56 1HH1 ARG 56 -3.368 -6.996 6.084 491 2HH2 ARG 56 2HH1 ARG 56 -2.380 -7.236 7.486 492 H GLN 57 H GLN 57 -4.125 -4.192 1.046 493 HA GLN 57 HA GLN 57 -1.474 -3.399 0.317 494 1HB GLN 57 2HB GLN 57 -2.625 -5.667 -0.075 495 2HB GLN 57 1HB GLN 57 -3.367 -4.915 -1.487 496 1HG GLN 57 2HG GLN 57 -1.373 -5.977 -2.276 497 2HG GLN 57 1HG GLN 57 -1.017 -4.250 -2.215 498 1HE2 GLN 57 1HE2 GLN 57 -1.214 -5.362 0.959 499 2HE2 GLN 57 2HE2 GLN 57 0.435 -5.651 1.237 500 H LEU 58 H LEU 58 -4.634 -2.785 -1.226 501 HA LEU 58 HA LEU 58 -3.529 -1.271 -3.423 502 1HB LEU 58 2HB LEU 58 -6.309 -0.892 -2.297 503 2HB LEU 58 1HB LEU 58 -5.774 -0.713 -3.968 504 HG LEU 58 HG LEU 58 -5.839 -3.314 -2.416 505 1HD1 LEU 58 1HD1 LEU 58 -7.526 -2.476 -4.785 506 2HD1 LEU 58 2HD1 LEU 58 -8.070 -2.317 -3.115 507 3HD1 LEU 58 3HD1 LEU 58 -7.722 -3.913 -3.781 508 1HD2 LEU 58 1HD2 LEU 58 -4.979 -2.574 -5.217 509 2HD2 LEU 58 2HD2 LEU 58 -5.449 -4.220 -4.796 510 3HD2 LEU 58 3HD2 LEU 58 -4.069 -3.466 -3.998 511 H ALA 59 H ALA 59 -4.791 -0.392 -0.228 512 HA ALA 59 HA ALA 59 -4.614 2.449 -0.582 513 1HB ALA 59 1HB ALA 59 -4.358 0.755 1.927 514 2HB ALA 59 2HB ALA 59 -5.839 1.485 1.308 515 3HB ALA 59 3HB ALA 59 -4.539 2.509 1.917 516 H ALA 60 H ALA 60 -2.326 -0.035 0.437 517 HA ALA 60 HA ALA 60 -0.201 1.688 1.253 518 1HB ALA 60 1HB ALA 60 -0.204 -0.700 1.777 519 2HB ALA 60 2HB ALA 60 1.252 -0.294 0.868 520 3HB ALA 60 3HB ALA 60 -0.096 -1.099 0.062 521 H ILE 61 H ILE 61 -0.616 -0.003 -1.905 522 HA ILE 61 HA ILE 61 1.608 1.294 -3.136 523 HB ILE 61 HB ILE 61 0.224 -0.744 -3.962 524 1HG1 ILE 61 2HG1 ILE 61 1.252 1.469 -5.755 525 2HG1 ILE 61 1HG1 ILE 61 2.105 0.016 -5.235 526 1HG2 ILE 61 1HG2 ILE 61 -1.908 0.684 -3.995 527 2HG2 ILE 61 2HG2 ILE 61 -1.610 -0.316 -5.411 528 3HG2 ILE 61 3HG2 ILE 61 -1.267 1.412 -5.465 529 1HD1 ILE 61 1HD1 ILE 61 -0.113 0.282 -7.253 530 2HD1 ILE 61 2HD1 ILE 61 0.152 -1.254 -6.428 531 3HD1 ILE 61 3HD1 ILE 61 1.434 -0.548 -7.413 532 H CYS 62 H CYS 62 -1.830 2.189 -2.993 533 HA CYS 62 HA CYS 62 -1.756 4.406 -4.745 534 1HB CYS 62 2HB CYS 62 -3.410 3.832 -2.282 535 2HB CYS 62 1HB CYS 62 -3.650 5.285 -3.252 536 HG CYS 62 HG CYS 62 -4.723 3.930 -5.040 537 H ARG 63 H ARG 63 -1.800 4.757 -1.173 538 HA ARG 63 HA ARG 63 -0.844 7.418 -1.193 539 1HB ARG 63 2HB ARG 63 -0.356 7.137 1.143 540 2HB ARG 63 1HB ARG 63 -1.825 6.230 0.782 541 1HG ARG 63 2HG ARG 63 -0.243 4.209 0.409 542 2HG ARG 63 1HG ARG 63 0.962 5.176 1.258 543 1HD ARG 63 2HD ARG 63 -1.787 4.561 2.378 544 2HD ARG 63 1HD ARG 63 -0.342 3.622 2.754 545 HE ARG 63 HE ARG 63 -0.010 6.479 3.248 546 1HH1 ARG 63 1HH2 ARG 63 -1.118 3.435 4.426 547 2HH1 ARG 63 2HH2 ARG 63 -0.939 3.866 6.094 548 1HH2 ARG 63 1HH1 ARG 63 0.233 7.059 5.418 549 2HH2 ARG 63 2HH1 ARG 63 -0.173 5.918 6.656 550 H LYS 64 H LYS 64 1.010 4.365 -0.897 551 HA LYS 64 HA LYS 64 3.580 5.348 -0.514 552 1HB LYS 64 2HB LYS 64 3.208 2.956 -0.790 553 2HB LYS 64 1HB LYS 64 2.693 3.192 -2.459 554 1HG LYS 64 2HG LYS 64 4.841 3.519 -3.229 555 2HG LYS 64 1HG LYS 64 5.385 4.252 -1.721 556 1HD LYS 64 2HD LYS 64 6.435 2.055 -2.020 557 2HD LYS 64 1HD LYS 64 5.341 2.021 -0.637 558 1HE LYS 64 2HE LYS 64 3.600 0.974 -1.992 559 2HE LYS 64 1HE LYS 64 4.619 1.083 -3.428 560 1HZ LYS 64 1HZ LYS 64 4.607 -1.116 -2.227 561 2HZ LYS 64 2HZ LYS 64 5.471 -0.349 -0.981 562 3HZ LYS 64 3HZ LYS 64 6.135 -0.451 -2.541 563 H ALA 65 H ALA 65 1.631 5.363 -3.449 564 HA ALA 65 HA ALA 65 3.654 6.609 -5.111 565 1HB ALA 65 1HB ALA 65 1.611 5.300 -5.927 566 2HB ALA 65 2HB ALA 65 1.917 6.830 -6.748 567 3HB ALA 65 3HB ALA 65 0.655 6.725 -5.522 568 H ALA 66 H ALA 66 0.941 7.751 -3.101 569 HA ALA 66 HA ALA 66 0.973 10.478 -3.887 570 1HB ALA 66 1HB ALA 66 -0.739 9.472 -2.388 571 2HB ALA 66 2HB ALA 66 -0.044 10.941 -1.704 572 3HB ALA 66 3HB ALA 66 0.472 9.364 -1.110 573 H LYS 67 H LYS 67 2.924 8.772 -1.445 574 HA LYS 67 HA LYS 67 4.340 11.141 -0.587 575 1HB LYS 67 2HB LYS 67 5.058 8.202 -0.368 576 2HB LYS 67 1HB LYS 67 5.922 9.507 0.446 577 1HG LYS 67 2HG LYS 67 4.046 10.060 1.791 578 2HG LYS 67 1HG LYS 67 2.943 9.128 0.777 579 1HD LYS 67 2HD LYS 67 4.154 7.047 1.451 580 2HD LYS 67 1HD LYS 67 5.134 8.015 2.554 581 1HE LYS 67 2HE LYS 67 2.107 7.907 2.650 582 2HE LYS 67 1HE LYS 67 3.156 6.902 3.651 583 1HZ LYS 67 1HZ LYS 67 2.511 9.697 3.894 584 2HZ LYS 67 2HZ LYS 67 4.175 9.376 4.007 585 3HZ LYS 67 3HZ LYS 67 3.086 8.611 5.063 586 H ALA 68 H ALA 68 4.987 8.602 -2.965 587 HA ALA 68 HA ALA 68 7.624 9.598 -3.649 588 1HB ALA 68 1HB ALA 68 5.737 7.778 -5.179 589 2HB ALA 68 2HB ALA 68 7.012 7.257 -4.077 590 3HB ALA 68 3HB ALA 68 7.427 8.061 -5.592 591 H ILE 69 H ILE 69 5.083 11.342 -3.778 592 HA ILE 69 HA ILE 69 4.278 12.100 -6.298 593 HB ILE 69 HB ILE 69 3.568 13.274 -4.263 594 1HG1 ILE 69 2HG1 ILE 69 4.801 15.527 -5.750 595 2HG1 ILE 69 1HG1 ILE 69 3.918 14.377 -6.752 596 1HG2 ILE 69 1HG2 ILE 69 6.269 14.644 -4.330 597 2HG2 ILE 69 2HG2 ILE 69 5.901 13.290 -3.263 598 3HG2 ILE 69 3HG2 ILE 69 5.015 14.806 -3.103 599 1HD1 ILE 69 1HD1 ILE 69 1.919 14.652 -5.421 600 2HD1 ILE 69 2HD1 ILE 69 2.496 16.254 -5.877 601 3HD1 ILE 69 3HD1 ILE 69 2.783 15.645 -4.247 602 H VAL 70 H VAL 70 7.512 12.289 -5.043 603 HA VAL 70 HA VAL 70 8.558 14.277 -6.826 604 HB VAL 70 HB VAL 70 10.759 13.271 -6.311 605 1HG1 VAL 70 1HG1 VAL 70 8.970 13.306 -3.864 606 2HG1 VAL 70 2HG1 VAL 70 9.564 14.759 -4.667 607 3HG1 VAL 70 3HG1 VAL 70 10.702 13.638 -3.918 608 1HG2 VAL 70 1HG2 VAL 70 10.782 11.273 -4.784 609 2HG2 VAL 70 2HG2 VAL 70 10.169 10.914 -6.397 610 3HG2 VAL 70 3HG2 VAL 70 9.047 11.105 -5.051 611 H ALA 71 H ALA 71 7.013 11.545 -7.664 612 HA ALA 71 HA ALA 71 8.691 10.226 -9.533 613 1HB ALA 71 1HB ALA 71 6.428 9.431 -8.803 614 2HB ALA 71 2HB ALA 71 6.638 9.407 -10.553 615 3HB ALA 71 3HB ALA 71 5.706 10.698 -9.795 616 H GLU 72 H GLU 72 7.295 10.475 -12.004 617 HA GLU 72 HA GLU 72 8.719 12.546 -13.278 618 1HB GLU 72 2HB GLU 72 7.573 10.609 -14.414 619 2HB GLU 72 1HB GLU 72 6.040 11.451 -14.179 620 1HG GLU 72 2HG GLU 72 6.904 13.381 -15.455 621 2HG GLU 72 1HG GLU 72 8.431 12.533 -15.699 622 H GLU 73 H GLU 73 5.160 12.660 -13.163 623 HA GLU 73 HA GLU 73 5.273 15.593 -13.057 624 1HB GLU 73 2HB GLU 73 2.914 13.683 -13.035 625 2HB GLU 73 1HB GLU 73 2.801 15.436 -13.188 626 1HG GLU 73 2HG GLU 73 4.155 15.342 -15.253 627 2HG GLU 73 1HG GLU 73 4.252 13.588 -15.106 628 H ARG 74 H ARG 74 4.859 16.836 -11.252 629 HA ARG 74 HA ARG 74 4.720 15.427 -8.665 630 1HB ARG 74 2HB ARG 74 4.702 18.422 -9.035 631 2HB ARG 74 1HB ARG 74 5.316 17.486 -7.673 632 1HG ARG 74 2HG ARG 74 7.354 17.762 -8.648 633 2HG ARG 74 1HG ARG 74 6.828 16.497 -9.758 634 1HD ARG 74 2HD ARG 74 5.855 18.296 -11.230 635 2HD ARG 74 1HD ARG 74 6.597 19.491 -10.167 636 HE ARG 74 HE ARG 74 8.550 17.566 -11.074 637 1HH1 ARG 74 1HH2 ARG 74 6.674 20.320 -11.957 638 2HH1 ARG 74 2HH2 ARG 74 7.813 20.884 -13.134 639 1HH2 ARG 74 1HH1 ARG 74 10.049 18.287 -12.605 640 2HH2 ARG 74 2HH1 ARG 74 9.723 19.734 -13.500 641 H LYS 75 H LYS 75 2.389 15.328 -10.433 642 HA LYS 75 HA LYS 75 0.356 16.028 -8.497 643 1HB LYS 75 2HB LYS 75 0.997 18.241 -9.711 644 2HB LYS 75 1HB LYS 75 0.141 17.554 -11.090 645 1HG LYS 75 2HG LYS 75 -1.880 17.272 -9.707 646 2HG LYS 75 1HG LYS 75 -1.024 17.934 -8.315 647 1HD LYS 75 2HD LYS 75 -2.106 19.840 -9.091 648 2HD LYS 75 1HD LYS 75 -0.571 19.968 -9.950 649 1HE LYS 75 2HE LYS 75 -2.167 20.305 -11.648 650 2HE LYS 75 1HE LYS 75 -1.759 18.600 -11.820 651 1HZ LYS 75 1HZ LYS 75 -3.706 17.960 -10.701 652 2HZ LYS 75 2HZ LYS 75 -4.195 19.161 -11.800 653 3HZ LYS 75 3HZ LYS 75 -4.019 19.535 -10.153 654 H ARG 76 H ARG 76 -1.684 15.091 -9.081 655 HA ARG 76 HA ARG 76 -2.963 13.382 -10.073 656 1HB ARG 76 2HB ARG 76 -1.801 14.760 -12.513 657 2HB ARG 76 1HB ARG 76 -3.092 13.562 -12.584 658 1HG ARG 76 2HG ARG 76 -3.426 15.881 -10.716 659 2HG ARG 76 1HG ARG 76 -3.643 16.166 -12.441 660 1HD ARG 76 2HD ARG 76 -5.031 13.897 -11.008 661 2HD ARG 76 1HD ARG 76 -5.741 15.507 -11.126 662 HE ARG 76 HE ARG 76 -5.012 14.777 -13.744 663 1HH1 ARG 76 1HH2 ARG 76 -7.043 13.680 -11.183 664 2HH1 ARG 76 2HH2 ARG 76 -8.219 12.971 -12.239 665 1HH2 ARG 76 1HH1 ARG 76 -6.536 13.859 -15.139 666 2HH2 ARG 76 2HH1 ARG 76 -7.932 13.072 -14.479 667 H ILE 77 H ILE 77 -1.504 11.721 -9.188 668 HA ILE 77 HA ILE 77 0.562 10.661 -11.018 669 HB ILE 77 HB ILE 77 -0.315 9.498 -8.366 670 1HG1 ILE 77 2HG1 ILE 77 1.703 11.694 -8.939 671 2HG1 ILE 77 1HG1 ILE 77 0.221 11.852 -7.997 672 1HG2 ILE 77 1HG2 ILE 77 2.380 9.473 -9.750 673 2HG2 ILE 77 2HG2 ILE 77 1.180 8.198 -9.961 674 3HG2 ILE 77 3HG2 ILE 77 1.875 8.502 -8.369 675 1HD1 ILE 77 1HD1 ILE 77 2.700 10.266 -7.306 676 2HD1 ILE 77 2HD1 ILE 77 1.160 10.015 -6.482 677 3HD1 ILE 77 3HD1 ILE 77 1.962 11.583 -6.393 678 H THR 78 H THR 78 0.002 9.189 -12.538 679 HA THR 78 HA THR 78 -2.569 7.759 -12.306 680 HB THR 78 HB THR 78 -0.548 7.466 -14.532 681 HG1 THR 78 1HG THR 78 -2.389 9.183 -15.223 682 1HG2 THR 78 1HG2 THR 78 -2.436 6.823 -15.837 683 2HG2 THR 78 2HG2 THR 78 -3.568 7.411 -14.619 684 3HG2 THR 78 3HG2 THR 78 -2.605 5.966 -14.305 685 H VAL 79 H VAL 79 -2.739 5.493 -12.120 686 HA VAL 79 HA VAL 79 -0.171 4.047 -11.553 687 HB VAL 79 HB VAL 79 -2.838 3.486 -10.237 688 1HG1 VAL 79 1HG1 VAL 79 -0.029 2.739 -9.391 689 2HG1 VAL 79 2HG1 VAL 79 -1.049 1.688 -10.373 690 3HG1 VAL 79 3HG1 VAL 79 -1.547 2.123 -8.738 691 1HG2 VAL 79 1HG2 VAL 79 -1.766 4.604 -8.233 692 2HG2 VAL 79 2HG2 VAL 79 -2.189 5.707 -9.543 693 3HG2 VAL 79 3HG2 VAL 79 -0.514 5.204 -9.321 694 H THR 80 H THR 80 -0.176 3.286 -13.769 695 HA THR 80 HA THR 80 -2.451 1.558 -14.577 696 HB THR 80 HB THR 80 -1.201 1.404 -16.740 697 HG1 THR 80 1HG THR 80 0.513 3.309 -15.534 698 1HG2 THR 80 1HG2 THR 80 -1.454 3.840 -17.324 699 2HG2 THR 80 2HG2 THR 80 -1.732 4.165 -15.613 700 3HG2 THR 80 3HG2 THR 80 -2.858 3.148 -16.512 701 H GLU 81 H GLU 81 -1.482 -0.525 -15.853 702 HA GLU 81 HA GLU 81 -0.415 -2.234 -13.824 703 1HB GLU 81 2HB GLU 81 -0.101 -3.870 -15.684 704 2HB GLU 81 1HB GLU 81 -1.710 -3.148 -15.678 705 1HG GLU 81 2HG GLU 81 -0.997 -1.530 -17.398 706 2HG GLU 81 1HG GLU 81 0.613 -2.249 -17.408 707 H LYS 82 H LYS 82 1.107 -0.121 -16.124 708 HA LYS 82 HA LYS 82 3.724 -1.417 -15.971 709 1HB LYS 82 2HB LYS 82 2.912 1.335 -16.961 710 2HB LYS 82 1HB LYS 82 4.515 0.623 -17.153 711 1HG LYS 82 2HG LYS 82 3.363 -1.334 -18.319 712 2HG LYS 82 1HG LYS 82 1.907 -0.342 -18.350 713 1HD LYS 82 2HD LYS 82 4.506 0.761 -19.406 714 2HD LYS 82 1HD LYS 82 3.515 -0.292 -20.414 715 1HE LYS 82 2HE LYS 82 1.629 1.205 -20.251 716 2HE LYS 82 1HE LYS 82 2.452 2.192 -19.043 717 1HZ LYS 82 1HZ LYS 82 4.117 2.768 -20.680 718 2HZ LYS 82 2HZ LYS 82 2.571 3.178 -21.251 719 3HZ LYS 82 3HZ LYS 82 3.358 1.793 -21.842 720 H ASN 83 H ASN 83 2.608 1.824 -14.926 721 HA ASN 83 HA ASN 83 4.742 2.512 -13.279 722 1HB ASN 83 2HB ASN 83 2.546 3.810 -13.799 723 2HB ASN 83 1HB ASN 83 1.905 2.999 -12.370 724 1HD2 ASN 83 1HD2 ASN 83 2.786 5.937 -12.929 725 2HD2 ASN 83 2HD2 ASN 83 3.805 6.296 -11.620 726 H LEU 84 H LEU 84 2.033 0.355 -12.545 727 HA LEU 84 HA LEU 84 2.209 -0.098 -9.845 728 1HB LEU 84 2HB LEU 84 0.688 -1.411 -11.158 729 2HB LEU 84 1HB LEU 84 2.005 -2.133 -12.078 730 HG LEU 84 HG LEU 84 2.192 -2.508 -9.141 731 1HD1 LEU 84 1HD1 LEU 84 -0.095 -3.603 -10.776 732 2HD1 LEU 84 2HD1 LEU 84 -0.143 -2.856 -9.180 733 3HD1 LEU 84 3HD1 LEU 84 0.527 -4.476 -9.376 734 1HD2 LEU 84 1HD2 LEU 84 3.597 -3.542 -11.088 735 2HD2 LEU 84 2HD2 LEU 84 2.222 -4.626 -11.291 736 3HD2 LEU 84 3HD2 LEU 84 3.100 -4.592 -9.763 737 H GLN 85 H GLN 85 4.468 -1.389 -12.283 738 HA GLN 85 HA GLN 85 6.093 -2.875 -10.471 739 1HB GLN 85 2HB GLN 85 6.958 -1.450 -13.009 740 2HB GLN 85 1HB GLN 85 7.809 -2.777 -12.217 741 1HG GLN 85 2HG GLN 85 5.754 -4.193 -12.536 742 2HG GLN 85 1HG GLN 85 5.064 -2.882 -13.494 743 1HE2 GLN 85 1HE2 GLN 85 5.205 -3.608 -15.637 744 2HE2 GLN 85 2HE2 GLN 85 6.621 -4.205 -16.358 745 H ASP 86 H ASP 86 6.184 0.523 -11.491 746 HA ASP 86 HA ASP 86 8.619 1.217 -10.169 747 1HB ASP 86 2HB ASP 86 6.270 3.087 -10.487 748 2HB ASP 86 1HB ASP 86 7.989 3.479 -10.517 749 H PHE 87 H PHE 87 5.243 1.145 -9.032 750 HA PHE 87 HA PHE 87 5.979 2.208 -6.404 751 1HB PHE 87 2HB PHE 87 3.429 0.838 -7.320 752 2HB PHE 87 1HB PHE 87 3.641 1.697 -5.796 753 HD1 PHE 87 1HD PHE 87 2.279 2.039 -8.948 754 HD2 PHE 87 2HD PHE 87 4.842 4.157 -6.226 755 HE1 PHE 87 1HE PHE 87 1.700 4.174 -10.063 756 HE2 PHE 87 2HE PHE 87 4.265 6.290 -7.346 757 HZ PHE 87 HZ PHE 87 2.693 6.300 -9.263 758 H ILE 88 H ILE 88 4.360 -0.870 -7.204 759 HA ILE 88 HA ILE 88 5.315 -2.162 -4.828 760 HB ILE 88 HB ILE 88 3.754 -2.882 -7.208 761 1HG1 ILE 88 2HG1 ILE 88 3.587 -4.027 -4.424 762 2HG1 ILE 88 1HG1 ILE 88 2.979 -2.414 -4.800 763 1HG2 ILE 88 1HG2 ILE 88 4.026 -5.367 -6.688 764 2HG2 ILE 88 2HG2 ILE 88 5.508 -4.925 -5.843 765 3HG2 ILE 88 3HG2 ILE 88 5.349 -4.609 -7.572 766 1HD1 ILE 88 1HD1 ILE 88 2.159 -4.795 -6.458 767 2HD1 ILE 88 2HD1 ILE 88 1.344 -3.242 -6.280 768 3HD1 ILE 88 3HD1 ILE 88 1.319 -4.405 -4.957 769 H GLY 89 H GLY 89 6.247 -2.645 -8.256 770 1HA GLY 89 2HA GLY 89 8.195 -3.649 -9.136 771 2HA GLY 89 1HA GLY 89 8.999 -2.558 -8.008 772 H LYS 90 H LYS 90 6.875 -5.190 -7.007 773 HA LYS 90 HA LYS 90 9.001 -7.080 -6.481 774 1HB LYS 90 2HB LYS 90 9.384 -5.259 -4.732 775 2HB LYS 90 1HB LYS 90 7.833 -5.730 -4.036 776 1HG LYS 90 2HG LYS 90 9.285 -7.073 -2.804 777 2HG LYS 90 1HG LYS 90 8.869 -8.160 -4.127 778 1HD LYS 90 2HD LYS 90 11.165 -8.348 -4.243 779 2HD LYS 90 1HD LYS 90 10.970 -6.931 -5.274 780 1HE LYS 90 2HE LYS 90 11.864 -7.063 -2.401 781 2HE LYS 90 1HE LYS 90 12.640 -6.256 -3.764 782 1HZ LYS 90 1HZ LYS 90 11.132 -4.530 -3.714 783 2HZ LYS 90 2HZ LYS 90 11.343 -4.857 -2.061 784 3HZ LYS 90 3HZ LYS 90 9.960 -5.420 -2.871 785 H ARG 91 H ARG 91 7.361 -8.388 -7.540 786 HA ARG 91 HA ARG 91 4.789 -8.765 -6.149 787 1HB ARG 91 2HB ARG 91 4.489 -10.540 -7.971 788 2HB ARG 91 1HB ARG 91 4.629 -8.873 -8.526 789 1HG ARG 91 2HG ARG 91 7.204 -10.324 -8.255 790 2HG ARG 91 1HG ARG 91 6.131 -10.932 -9.514 791 1HD ARG 91 2HD ARG 91 6.894 -8.014 -9.211 792 2HD ARG 91 1HD ARG 91 7.696 -9.135 -10.311 793 HE ARG 91 HE ARG 91 5.124 -7.885 -10.756 794 1HH1 ARG 91 1HH2 ARG 91 7.006 -10.740 -11.198 795 2HH1 ARG 91 2HH2 ARG 91 6.154 -11.242 -12.619 796 1HH2 ARG 91 1HH1 ARG 91 4.001 -8.525 -12.611 797 2HH2 ARG 91 2HH1 ARG 91 4.452 -9.988 -13.419 798 H ILE 92 H ILE 92 4.307 -11.428 -6.266 799 HA ILE 92 HA ILE 92 6.563 -12.760 -4.830 800 HB ILE 92 HB ILE 92 3.666 -12.669 -3.931 801 1HG1 ILE 92 2HG1 ILE 92 6.181 -11.741 -2.511 802 2HG1 ILE 92 1HG1 ILE 92 5.131 -10.663 -3.428 803 1HG2 ILE 92 1HG2 ILE 92 4.700 -13.970 -1.953 804 2HG2 ILE 92 2HG2 ILE 92 6.051 -14.295 -3.039 805 3HG2 ILE 92 3HG2 ILE 92 4.432 -14.861 -3.451 806 1HD1 ILE 92 1HD1 ILE 92 4.487 -12.206 -0.916 807 2HD1 ILE 92 2HD1 ILE 92 3.216 -11.567 -1.958 808 3HD1 ILE 92 3HD1 ILE 92 4.366 -10.469 -1.195 809 H PHE 93 H PHE 93 3.429 -13.118 -6.474 810 HA PHE 93 HA PHE 93 3.865 -15.998 -6.873 811 1HB PHE 93 2HB PHE 93 1.739 -14.117 -7.945 812 2HB PHE 93 1HB PHE 93 1.733 -15.868 -8.153 813 HD1 PHE 93 1HD PHE 93 1.904 -13.231 -5.496 814 HD2 PHE 93 2HD PHE 93 0.746 -17.239 -6.521 815 HE1 PHE 93 1HE PHE 93 0.844 -13.494 -3.271 816 HE2 PHE 93 2HE PHE 93 -0.314 -17.501 -4.294 817 HZ PHE 93 HZ PHE 93 -0.265 -15.628 -2.669 818 H ARG 94 H ARG 94 5.977 -15.572 -8.024 819 HA ARG 94 HA ARG 94 5.717 -14.468 -10.755 820 1HB ARG 94 2HB ARG 94 8.097 -15.605 -9.257 821 2HB ARG 94 1HB ARG 94 8.170 -14.894 -10.869 822 1HG ARG 94 2HG ARG 94 7.535 -12.741 -10.054 823 2HG ARG 94 1HG ARG 94 7.061 -13.398 -8.487 824 1HD ARG 94 2HD ARG 94 9.313 -13.815 -7.859 825 2HD ARG 94 1HD ARG 94 9.893 -13.620 -9.513 826 HE ARG 94 HE ARG 94 8.757 -11.158 -8.865 827 1HH1 ARG 94 1HH2 ARG 94 11.168 -13.270 -7.596 828 2HH1 ARG 94 2HH2 ARG 94 12.124 -11.991 -6.925 829 1HH2 ARG 94 1HH1 ARG 94 9.991 -9.476 -7.995 830 2HH2 ARG 94 2HH1 ARG 94 11.457 -9.843 -7.151 831 H TYR 95 H TYR 95 4.140 -16.335 -11.214 832 HA TYR 95 HA TYR 95 5.312 -18.998 -11.489 833 1HB TYR 95 2HB TYR 95 2.701 -17.915 -11.458 834 2HB TYR 95 1HB TYR 95 2.902 -18.602 -13.068 835 HD1 TYR 95 1HD TYR 95 2.749 -20.933 -13.398 836 HD2 TYR 95 2HD TYR 95 3.362 -19.381 -9.439 837 HE1 TYR 95 1HE TYR 95 2.447 -23.207 -12.458 838 HE2 TYR 95 2HE TYR 95 3.059 -21.655 -8.501 839 HH TYR 95 HH TYR 95 3.433 -24.194 -9.681 Start of MODEL 3 1 H ALA 1 H ALA 1 -20.275 -12.586 7.266 2 HA ALA 1 HA ALA 1 -19.432 -14.832 7.610 3 1HB ALA 1 1HB ALA 1 -22.349 -15.193 6.859 4 2HB ALA 1 2HB ALA 1 -21.791 -14.597 8.421 5 3HB ALA 1 3HB ALA 1 -21.398 -16.240 7.912 6 H GLY 2 H GLY 2 -19.443 -13.882 4.655 7 1HA GLY 2 2HA GLY 2 -18.510 -16.316 3.506 8 2HA GLY 2 1HA GLY 2 -20.175 -16.058 2.981 9 H TYR 3 H TYR 3 -16.904 -14.764 2.855 10 HA TYR 3 HA TYR 3 -17.616 -12.478 1.206 11 1HB TYR 3 2HB TYR 3 -15.031 -13.818 1.986 12 2HB TYR 3 1HB TYR 3 -15.046 -12.573 0.738 13 HD1 TYR 3 1HD TYR 3 -16.172 -10.322 1.307 14 HD2 TYR 3 2HD TYR 3 -15.035 -13.217 4.269 15 HE1 TYR 3 1HE TYR 3 -16.237 -8.562 3.052 16 HE2 TYR 3 2HE TYR 3 -15.100 -11.457 6.014 17 HH TYR 3 HH TYR 3 -16.335 -9.192 6.291 18 H THR 4 H THR 4 -18.703 -13.158 -0.651 19 HA THR 4 HA THR 4 -17.696 -15.386 -2.256 20 HB THR 4 HB THR 4 -19.544 -14.914 -3.729 21 HG1 THR 4 1HG THR 4 -20.789 -12.936 -3.183 22 1HG2 THR 4 1HG2 THR 4 -20.534 -14.179 -0.970 23 2HG2 THR 4 2HG2 THR 4 -20.003 -15.811 -1.378 24 3HG2 THR 4 3HG2 THR 4 -21.379 -15.094 -2.219 25 H GLU 5 H GLU 5 -16.614 -15.205 -4.253 26 HA GLU 5 HA GLU 5 -14.689 -13.230 -4.613 27 1HB GLU 5 2HB GLU 5 -14.923 -15.408 -5.905 28 2HB GLU 5 1HB GLU 5 -16.108 -14.584 -6.920 29 1HG GLU 5 2HG GLU 5 -14.059 -14.316 -8.080 30 2HG GLU 5 1HG GLU 5 -14.296 -12.776 -7.254 31 H ILE 6 H ILE 6 -18.021 -13.242 -5.863 32 HA ILE 6 HA ILE 6 -17.833 -10.874 -7.428 33 HB ILE 6 HB ILE 6 -20.223 -11.922 -5.879 34 1HG1 ILE 6 2HG1 ILE 6 -19.441 -12.389 -8.771 35 2HG1 ILE 6 1HG1 ILE 6 -19.116 -13.540 -7.474 36 1HG2 ILE 6 1HG2 ILE 6 -19.990 -10.035 -8.242 37 2HG2 ILE 6 2HG2 ILE 6 -20.569 -9.627 -6.627 38 3HG2 ILE 6 3HG2 ILE 6 -21.507 -10.713 -7.652 39 1HD1 ILE 6 1HD1 ILE 6 -21.550 -13.606 -6.960 40 2HD1 ILE 6 2HD1 ILE 6 -21.201 -14.144 -8.603 41 3HD1 ILE 6 3HD1 ILE 6 -21.845 -12.526 -8.324 42 H GLU 7 H GLU 7 -18.834 -11.283 -4.016 43 HA GLU 7 HA GLU 7 -19.379 -8.602 -3.403 44 1HB GLU 7 2HB GLU 7 -18.170 -10.829 -1.758 45 2HB GLU 7 1HB GLU 7 -18.472 -9.234 -1.065 46 1HG GLU 7 2HG GLU 7 -20.828 -9.391 -1.527 47 2HG GLU 7 1HG GLU 7 -20.599 -10.849 -2.494 48 H LYS 8 H LYS 8 -16.222 -10.226 -2.885 49 HA LYS 8 HA LYS 8 -14.721 -7.964 -2.199 50 1HB LYS 8 2HB LYS 8 -13.921 -10.394 -3.824 51 2HB LYS 8 1HB LYS 8 -12.767 -9.194 -3.245 52 1HG LYS 8 2HG LYS 8 -13.732 -9.609 -0.907 53 2HG LYS 8 1HG LYS 8 -14.525 -11.025 -1.602 54 1HD LYS 8 2HD LYS 8 -12.314 -11.859 -2.372 55 2HD LYS 8 1HD LYS 8 -11.542 -10.473 -1.602 56 1HE LYS 8 2HE LYS 8 -12.768 -11.260 0.550 57 2HE LYS 8 1HE LYS 8 -12.968 -12.790 -0.307 58 1HZ LYS 8 1HZ LYS 8 -10.783 -12.059 1.115 59 2HZ LYS 8 2HZ LYS 8 -10.309 -11.726 -0.482 60 3HZ LYS 8 3HZ LYS 8 -10.827 -13.286 -0.054 61 H LEU 9 H LEU 9 -15.469 -9.157 -5.488 62 HA LEU 9 HA LEU 9 -13.929 -7.171 -6.851 63 1HB LEU 9 2HB LEU 9 -14.942 -9.276 -7.857 64 2HB LEU 9 1HB LEU 9 -16.491 -8.437 -7.861 65 HG LEU 9 HG LEU 9 -14.191 -6.969 -9.075 66 1HD1 LEU 9 1HD1 LEU 9 -15.393 -9.486 -10.230 67 2HD1 LEU 9 2HD1 LEU 9 -13.691 -9.050 -10.086 68 3HD1 LEU 9 3HD1 LEU 9 -14.712 -8.230 -11.266 69 1HD2 LEU 9 1HD2 LEU 9 -15.994 -6.399 -10.728 70 2HD2 LEU 9 2HD2 LEU 9 -16.411 -5.962 -9.071 71 3HD2 LEU 9 3HD2 LEU 9 -17.107 -7.408 -9.804 72 H GLU 10 H GLU 10 -17.338 -7.224 -5.831 73 HA GLU 10 HA GLU 10 -18.131 -4.763 -6.978 74 1HB GLU 10 2HB GLU 10 -19.441 -6.628 -5.580 75 2HB GLU 10 1HB GLU 10 -19.162 -5.490 -4.263 76 1HG GLU 10 2HG GLU 10 -21.248 -4.838 -5.197 77 2HG GLU 10 1HG GLU 10 -20.082 -3.685 -5.847 78 H ILE 11 H ILE 11 -17.054 -5.311 -3.597 79 HA ILE 11 HA ILE 11 -16.852 -2.499 -3.021 80 HB ILE 11 HB ILE 11 -15.213 -3.541 -1.165 81 1HG1 ILE 11 2HG1 ILE 11 -16.971 -5.923 -1.609 82 2HG1 ILE 11 1HG1 ILE 11 -15.516 -5.785 -2.593 83 1HG2 ILE 11 1HG2 ILE 11 -17.281 -4.055 0.167 84 2HG2 ILE 11 2HG2 ILE 11 -18.224 -3.859 -1.310 85 3HG2 ILE 11 3HG2 ILE 11 -17.332 -2.490 -0.645 86 1HD1 ILE 11 1HD1 ILE 11 -15.288 -5.317 0.356 87 2HD1 ILE 11 2HD1 ILE 11 -14.093 -5.958 -0.772 88 3HD1 ILE 11 3HD1 ILE 11 -15.427 -6.975 -0.228 89 H VAL 12 H VAL 12 -14.180 -4.873 -3.325 90 HA VAL 12 HA VAL 12 -12.011 -3.210 -3.344 91 HB VAL 12 HB VAL 12 -12.503 -5.493 -5.277 92 1HG1 VAL 12 1HG1 VAL 12 -9.912 -5.550 -5.158 93 2HG1 VAL 12 2HG1 VAL 12 -10.046 -3.883 -4.597 94 3HG1 VAL 12 3HG1 VAL 12 -10.665 -4.331 -6.186 95 1HG2 VAL 12 1HG2 VAL 12 -10.896 -5.478 -2.714 96 2HG2 VAL 12 2HG2 VAL 12 -11.460 -6.873 -3.633 97 3HG2 VAL 12 3HG2 VAL 12 -12.612 -5.882 -2.738 98 H LYS 13 H LYS 13 -14.245 -3.592 -6.095 99 HA LYS 13 HA LYS 13 -12.624 -1.760 -7.697 100 1HB LYS 13 2HB LYS 13 -15.395 -2.902 -8.165 101 2HB LYS 13 1HB LYS 13 -14.498 -1.940 -9.340 102 1HG LYS 13 2HG LYS 13 -13.177 -4.355 -8.138 103 2HG LYS 13 1HG LYS 13 -14.380 -4.590 -9.403 104 1HD LYS 13 2HD LYS 13 -12.217 -2.549 -9.831 105 2HD LYS 13 1HD LYS 13 -11.830 -4.257 -10.035 106 1HE LYS 13 2HE LYS 13 -14.080 -2.789 -11.445 107 2HE LYS 13 1HE LYS 13 -12.540 -3.246 -12.174 108 1HZ LYS 13 1HZ LYS 13 -14.811 -4.778 -12.049 109 2HZ LYS 13 2HZ LYS 13 -13.780 -5.458 -10.882 110 3HZ LYS 13 3HZ LYS 13 -13.261 -5.303 -12.492 111 H ASP 14 H ASP 14 -15.856 -1.577 -6.178 112 HA ASP 14 HA ASP 14 -16.240 1.189 -6.872 113 1HB ASP 14 2HB ASP 14 -17.501 -0.509 -4.702 114 2HB ASP 14 1HB ASP 14 -18.059 1.100 -5.161 115 H HIS 15 H HIS 15 -15.832 -0.128 -3.577 116 HA HIS 15 HA HIS 15 -15.316 2.156 -2.175 117 1HB HIS 15 2HB HIS 15 -14.567 0.791 -0.514 118 2HB HIS 15 1HB HIS 15 -15.090 -0.485 -1.607 119 HD1 HIS 15 1HD HIS 15 -12.339 0.273 0.409 120 HD2 HIS 15 2HD HIS 15 -12.616 -0.964 -3.579 121 HE1 HIS 15 1HE HIS 15 -10.090 -0.723 -0.195 122 HE2 HIS 15 2HE HIS 15 -10.256 -1.493 -2.603 123 H LEU 16 H LEU 16 -12.969 0.484 -4.228 124 HA LEU 16 HA LEU 16 -10.595 1.689 -3.649 125 1HB LEU 16 2HB LEU 16 -11.642 0.349 -5.850 126 2HB LEU 16 1HB LEU 16 -11.112 1.883 -6.527 127 HG LEU 16 HG LEU 16 -9.324 0.194 -6.603 128 1HD1 LEU 16 1HD1 LEU 16 -7.598 1.619 -5.882 129 2HD1 LEU 16 2HD1 LEU 16 -8.530 2.200 -4.505 130 3HD1 LEU 16 3HD1 LEU 16 -8.950 2.723 -6.135 131 1HD2 LEU 16 1HD2 LEU 16 -10.255 -0.711 -4.231 132 2HD2 LEU 16 2HD2 LEU 16 -8.892 0.256 -3.667 133 3HD2 LEU 16 3HD2 LEU 16 -8.633 -1.049 -4.823 134 H LEU 17 H LEU 17 -13.269 3.300 -5.359 135 HA LEU 17 HA LEU 17 -11.765 5.663 -5.972 136 1HB LEU 17 2HB LEU 17 -14.601 4.838 -6.080 137 2HB LEU 17 1HB LEU 17 -14.347 6.572 -5.871 138 HG LEU 17 HG LEU 17 -12.777 5.065 -7.955 139 1HD1 LEU 17 1HD1 LEU 17 -15.625 6.069 -8.167 140 2HD1 LEU 17 2HD1 LEU 17 -15.029 4.442 -8.499 141 3HD1 LEU 17 3HD1 LEU 17 -14.601 5.774 -9.572 142 1HD2 LEU 17 1HD2 LEU 17 -12.670 7.243 -9.005 143 2HD2 LEU 17 2HD2 LEU 17 -12.268 7.458 -7.301 144 3HD2 LEU 17 3HD2 LEU 17 -13.872 7.893 -7.890 145 HA PRO 18 HA PRO 18 -13.779 7.849 -2.181 146 1HB PRO 18 2HB PRO 18 -15.109 6.220 -0.377 147 2HB PRO 18 1HB PRO 18 -15.901 7.123 -1.682 148 1HG PRO 18 2HG PRO 18 -15.075 4.263 -1.592 149 2HG PRO 18 1HG PRO 18 -16.561 4.987 -2.235 150 1HD PRO 18 2HD PRO 18 -14.567 4.217 -3.877 151 2HD PRO 18 1HD PRO 18 -15.532 5.673 -4.213 152 H LYS 19 H LYS 19 -12.947 4.475 -1.308 153 HA LYS 19 HA LYS 19 -11.730 4.918 1.158 154 1HB LYS 19 2HB LYS 19 -12.050 2.703 -0.098 155 2HB LYS 19 1HB LYS 19 -10.531 3.073 -0.910 156 1HG LYS 19 2HG LYS 19 -9.868 1.764 0.939 157 2HG LYS 19 1HG LYS 19 -9.564 3.418 1.464 158 1HD LYS 19 2HD LYS 19 -11.458 3.454 2.869 159 2HD LYS 19 1HD LYS 19 -12.210 2.089 2.045 160 1HE LYS 19 2HE LYS 19 -10.731 0.530 3.031 161 2HE LYS 19 1HE LYS 19 -9.588 1.785 3.507 162 1HZ LYS 19 1HZ LYS 19 -12.292 2.007 4.563 163 2HZ LYS 19 2HZ LYS 19 -10.802 2.345 5.306 164 3HZ LYS 19 3HZ LYS 19 -11.346 0.740 5.177 165 H GLN 20 H GLN 20 -9.755 4.556 -1.797 166 HA GLN 20 HA GLN 20 -7.429 5.745 -0.700 167 1HB GLN 20 2HB GLN 20 -8.405 5.405 -3.536 168 2HB GLN 20 1HB GLN 20 -6.850 6.153 -3.173 169 1HG GLN 20 2HG GLN 20 -6.894 3.597 -3.610 170 2HG GLN 20 1HG GLN 20 -5.981 4.180 -2.220 171 1HE2 GLN 20 1HE2 GLN 20 -7.026 3.946 -0.058 172 2HE2 GLN 20 2HE2 GLN 20 -8.231 2.773 0.175 173 H ILE 21 H ILE 21 -9.861 7.254 -2.864 174 HA ILE 21 HA ILE 21 -8.813 9.814 -3.025 175 HB ILE 21 HB ILE 21 -11.672 8.879 -2.805 176 1HG1 ILE 21 2HG1 ILE 21 -10.375 8.373 -4.867 177 2HG1 ILE 21 1HG1 ILE 21 -11.708 9.477 -5.188 178 1HG2 ILE 21 1HG2 ILE 21 -11.870 11.065 -1.931 179 2HG2 ILE 21 2HG2 ILE 21 -12.199 11.261 -3.653 180 3HG2 ILE 21 3HG2 ILE 21 -10.620 11.699 -3.002 181 1HD1 ILE 21 1HD1 ILE 21 -10.097 10.702 -6.248 182 2HD1 ILE 21 2HD1 ILE 21 -8.788 9.940 -5.349 183 3HD1 ILE 21 3HD1 ILE 21 -9.706 11.256 -4.621 184 H LYS 22 H LYS 22 -10.580 8.449 -0.244 185 HA LYS 22 HA LYS 22 -10.714 10.950 1.177 186 1HB LYS 22 2HB LYS 22 -12.147 9.002 1.723 187 2HB LYS 22 1HB LYS 22 -10.722 8.135 2.296 188 1HG LYS 22 2HG LYS 22 -10.341 9.805 4.027 189 2HG LYS 22 1HG LYS 22 -11.664 10.794 3.411 190 1HD LYS 22 2HD LYS 22 -12.245 7.948 4.162 191 2HD LYS 22 1HD LYS 22 -12.045 9.133 5.453 192 1HE LYS 22 2HE LYS 22 -13.939 9.476 3.109 193 2HE LYS 22 1HE LYS 22 -14.423 8.888 4.700 194 1HZ LYS 22 1HZ LYS 22 -14.283 10.923 5.587 195 2HZ LYS 22 2HZ LYS 22 -14.409 11.466 3.982 196 3HZ LYS 22 3HZ LYS 22 -12.885 11.335 4.721 197 H GLU 23 H GLU 23 -8.902 8.193 2.476 198 HA GLU 23 HA GLU 23 -7.105 9.560 4.053 199 1HB GLU 23 2HB GLU 23 -7.286 7.020 3.651 200 2HB GLU 23 1HB GLU 23 -6.167 7.271 2.312 201 1HG GLU 23 2HG GLU 23 -5.613 8.171 5.152 202 2HG GLU 23 1HG GLU 23 -5.050 6.640 4.483 203 H HIS 24 H HIS 24 -6.899 9.079 0.566 204 HA HIS 24 HA HIS 24 -4.350 10.511 0.356 205 1HB HIS 24 2HB HIS 24 -6.266 9.769 -1.874 206 2HB HIS 24 1HB HIS 24 -4.540 10.108 -2.011 207 HD1 HIS 24 1HD HIS 24 -6.042 7.952 0.708 208 HD2 HIS 24 2HD HIS 24 -3.746 7.492 -2.739 209 HE1 HIS 24 1HE HIS 24 -5.223 5.555 0.705 210 HE2 HIS 24 2HE HIS 24 -3.826 5.265 -1.392 211 H GLY 25 H GLY 25 -7.776 11.143 -0.196 212 1HA GLY 25 2HA GLY 25 -7.865 13.552 -1.505 213 2HA GLY 25 1HA GLY 25 -8.905 13.220 -0.120 214 H LEU 26 H LEU 26 -6.798 13.044 1.834 215 HA LEU 26 HA LEU 26 -6.659 15.544 2.930 216 1HB LEU 26 2HB LEU 26 -5.027 13.149 3.105 217 2HB LEU 26 1HB LEU 26 -4.012 14.580 3.268 218 HG LEU 26 HG LEU 26 -6.588 14.291 4.824 219 1HD1 LEU 26 1HD1 LEU 26 -5.299 12.347 5.436 220 2HD1 LEU 26 2HD1 LEU 26 -5.097 13.537 6.723 221 3HD1 LEU 26 3HD1 LEU 26 -3.815 13.296 5.534 222 1HD2 LEU 26 1HD2 LEU 26 -5.684 16.023 6.174 223 2HD2 LEU 26 2HD2 LEU 26 -5.280 16.506 4.527 224 3HD2 LEU 26 3HD2 LEU 26 -4.052 15.768 5.556 225 H LYS 27 H LYS 27 -4.578 14.386 0.288 226 HA LYS 27 HA LYS 27 -3.481 17.151 0.008 227 1HB LYS 27 2HB LYS 27 -2.461 14.433 -0.566 228 2HB LYS 27 1HB LYS 27 -2.139 15.606 -1.842 229 1HG LYS 27 2HG LYS 27 -1.581 16.318 1.033 230 2HG LYS 27 1HG LYS 27 -0.419 15.358 0.117 231 1HD LYS 27 2HD LYS 27 -0.278 17.099 -1.596 232 2HD LYS 27 1HD LYS 27 -1.506 18.051 -0.763 233 1HE LYS 27 2HE LYS 27 0.924 18.725 -0.329 234 2HE LYS 27 1HE LYS 27 -0.075 18.456 1.100 235 1HZ LYS 27 1HZ LYS 27 2.297 17.311 0.716 236 2HZ LYS 27 2HZ LYS 27 1.284 16.115 0.061 237 3HZ LYS 27 3HZ LYS 27 1.070 16.627 1.667 238 H LYS 28 H LYS 28 -3.240 17.818 -2.396 239 HA LYS 28 HA LYS 28 -5.712 18.123 -3.630 240 1HB LYS 28 2HB LYS 28 -4.407 18.406 -5.786 241 2HB LYS 28 1HB LYS 28 -3.824 19.383 -4.438 242 1HG LYS 28 2HG LYS 28 -1.949 18.008 -4.085 243 2HG LYS 28 1HG LYS 28 -2.667 16.645 -4.944 244 1HD LYS 28 2HD LYS 28 -2.503 17.913 -7.067 245 2HD LYS 28 1HD LYS 28 -1.737 19.246 -6.200 246 1HE LYS 28 2HE LYS 28 0.167 17.902 -5.640 247 2HE LYS 28 1HE LYS 28 -0.636 16.427 -6.179 248 1HZ LYS 28 1HZ LYS 28 0.865 18.290 -7.690 249 2HZ LYS 28 2HZ LYS 28 -0.712 18.178 -8.314 250 3HZ LYS 28 3HZ LYS 28 0.246 16.783 -8.163 251 H SER 29 H SER 29 -6.743 17.023 -5.445 252 HA SER 29 HA SER 29 -7.075 14.271 -5.224 253 1HB SER 29 2HB SER 29 -8.040 14.301 -7.440 254 2HB SER 29 1HB SER 29 -8.436 15.835 -6.671 255 HG SER 29 HG SER 29 -6.330 15.313 -8.505 256 H ASN 30 H ASN 30 -5.095 13.187 -4.909 257 HA ASN 30 HA ASN 30 -3.223 13.167 -7.242 258 1HB ASN 30 2HB ASN 30 -2.512 13.872 -4.804 259 2HB ASN 30 1HB ASN 30 -2.490 12.133 -4.516 260 1HD2 ASN 30 1HD2 ASN 30 -0.213 11.802 -4.457 261 2HD2 ASN 30 2HD2 ASN 30 0.810 12.128 -5.773 262 H LEU 31 H LEU 31 -5.249 11.576 -7.829 263 HA LEU 31 HA LEU 31 -4.089 8.902 -7.665 264 1HB LEU 31 2HB LEU 31 -5.378 9.162 -5.504 265 2HB LEU 31 1HB LEU 31 -6.840 9.325 -6.475 266 HG LEU 31 HG LEU 31 -5.934 7.075 -7.589 267 1HD1 LEU 31 1HD1 LEU 31 -3.851 7.170 -6.149 268 2HD1 LEU 31 2HD1 LEU 31 -4.755 5.660 -6.037 269 3HD1 LEU 31 3HD1 LEU 31 -4.886 6.863 -4.755 270 1HD2 LEU 31 1HD2 LEU 31 -8.080 7.069 -6.599 271 2HD2 LEU 31 2HD2 LEU 31 -7.442 7.448 -5.000 272 3HD2 LEU 31 3HD2 LEU 31 -7.200 5.841 -5.688 273 H GLN 32 H GLN 32 -4.416 8.057 -9.664 274 HA GLN 32 HA GLN 32 -7.067 8.336 -10.938 275 1HB GLN 32 2HB GLN 32 -5.593 10.292 -11.682 276 2HB GLN 32 1HB GLN 32 -4.584 9.094 -12.488 277 1HG GLN 32 2HG GLN 32 -6.100 9.790 -14.167 278 2HG GLN 32 1HG GLN 32 -6.768 8.264 -13.588 279 1HE2 GLN 32 1HE2 GLN 32 -8.540 10.048 -14.798 280 2HE2 GLN 32 2HE2 GLN 32 -9.554 10.744 -13.629 281 H LEU 33 H LEU 33 -6.919 6.019 -10.321 282 HA LEU 33 HA LEU 33 -5.083 4.426 -12.033 283 1HB LEU 33 2HB LEU 33 -5.419 2.618 -10.536 284 2HB LEU 33 1HB LEU 33 -5.296 4.037 -9.500 285 HG LEU 33 HG LEU 33 -7.857 2.667 -10.385 286 1HD1 LEU 33 1HD1 LEU 33 -6.368 1.664 -8.531 287 2HD1 LEU 33 2HD1 LEU 33 -8.064 1.948 -8.144 288 3HD1 LEU 33 3HD1 LEU 33 -6.831 3.073 -7.576 289 1HD2 LEU 33 1HD2 LEU 33 -7.336 5.222 -8.847 290 2HD2 LEU 33 2HD2 LEU 33 -8.856 4.339 -8.708 291 3HD2 LEU 33 3HD2 LEU 33 -8.361 4.998 -10.266 292 H ARG 34 H ARG 34 -6.149 2.293 -12.800 293 HA ARG 34 HA ARG 34 -8.847 2.921 -13.947 294 1HB ARG 34 2HB ARG 34 -6.553 1.347 -15.154 295 2HB ARG 34 1HB ARG 34 -8.159 1.484 -15.872 296 1HG ARG 34 2HG ARG 34 -7.921 3.845 -16.182 297 2HG ARG 34 1HG ARG 34 -6.476 3.899 -15.173 298 1HD ARG 34 2HD ARG 34 -5.258 2.533 -16.815 299 2HD ARG 34 1HD ARG 34 -6.704 2.435 -17.820 300 HE ARG 34 HE ARG 34 -6.312 5.153 -17.544 301 1HH1 ARG 34 1HH2 ARG 34 -4.368 2.455 -18.456 302 2HH1 ARG 34 2HH2 ARG 34 -3.366 3.371 -19.532 303 1HH2 ARG 34 1HH1 ARG 34 -5.015 6.365 -18.942 304 2HH2 ARG 34 2HH1 ARG 34 -3.732 5.585 -19.807 305 H ASP 35 H ASP 35 -9.596 0.512 -14.909 306 HA ASP 35 HA ASP 35 -10.117 -1.005 -12.463 307 1HB ASP 35 2HB ASP 35 -11.360 -2.525 -14.110 308 2HB ASP 35 1HB ASP 35 -11.947 -0.865 -13.988 309 H GLN 36 H GLN 36 -8.568 -1.758 -15.604 310 HA GLN 36 HA GLN 36 -7.714 -4.352 -15.130 311 1HB GLN 36 2HB GLN 36 -6.161 -2.109 -16.454 312 2HB GLN 36 1HB GLN 36 -5.736 -3.818 -16.570 313 1HG GLN 36 2HG GLN 36 -8.447 -2.726 -17.366 314 2HG GLN 36 1HG GLN 36 -7.116 -2.937 -18.504 315 1HE2 GLN 36 1HE2 GLN 36 -6.305 -5.196 -18.822 316 2HE2 GLN 36 2HE2 GLN 36 -7.337 -6.507 -18.510 317 H ALA 37 H ALA 37 -6.219 -1.364 -13.905 318 HA ALA 37 HA ALA 37 -3.906 -2.567 -12.755 319 1HB ALA 37 1HB ALA 37 -3.868 -0.571 -11.266 320 2HB ALA 37 2HB ALA 37 -5.483 -0.147 -11.833 321 3HB ALA 37 3HB ALA 37 -4.124 -0.139 -12.956 322 H ILE 38 H ILE 38 -6.871 -1.559 -11.011 323 HA ILE 38 HA ILE 38 -6.364 -2.752 -8.555 324 HB ILE 38 HB ILE 38 -9.051 -2.799 -9.964 325 1HG1 ILE 38 2HG1 ILE 38 -7.880 -0.625 -8.203 326 2HG1 ILE 38 1HG1 ILE 38 -7.895 -0.552 -9.965 327 1HG2 ILE 38 1HG2 ILE 38 -8.227 -2.815 -7.047 328 2HG2 ILE 38 2HG2 ILE 38 -9.054 -4.106 -7.920 329 3HG2 ILE 38 3HG2 ILE 38 -9.884 -2.582 -7.604 330 1HD1 ILE 38 1HD1 ILE 38 -10.401 -0.965 -8.316 331 2HD1 ILE 38 2HD1 ILE 38 -10.296 -0.580 -10.034 332 3HD1 ILE 38 3HD1 ILE 38 -9.840 0.626 -8.831 333 H LEU 39 H LEU 39 -7.599 -4.339 -11.486 334 HA LEU 39 HA LEU 39 -8.004 -6.898 -10.199 335 1HB LEU 39 2HB LEU 39 -7.596 -6.312 -13.144 336 2HB LEU 39 1HB LEU 39 -8.330 -7.759 -12.453 337 HG LEU 39 HG LEU 39 -9.415 -4.950 -12.098 338 1HD1 LEU 39 1HD1 LEU 39 -10.167 -7.194 -13.984 339 2HD1 LEU 39 2HD1 LEU 39 -9.709 -5.542 -14.401 340 3HD1 LEU 39 3HD1 LEU 39 -11.254 -5.856 -13.610 341 1HD2 LEU 39 1HD2 LEU 39 -10.283 -7.697 -11.207 342 2HD2 LEU 39 2HD2 LEU 39 -11.478 -6.425 -11.454 343 3HD2 LEU 39 3HD2 LEU 39 -10.193 -6.207 -10.268 344 H ASP 40 H ASP 40 -5.351 -5.473 -12.064 345 HA ASP 40 HA ASP 40 -3.776 -7.837 -12.299 346 1HB ASP 40 2HB ASP 40 -3.436 -5.594 -13.480 347 2HB ASP 40 1HB ASP 40 -2.648 -5.052 -11.998 348 H ILE 41 H ILE 41 -3.505 -5.195 -9.875 349 HA ILE 41 HA ILE 41 -1.447 -6.380 -8.349 350 HB ILE 41 HB ILE 41 -2.102 -4.089 -7.936 351 1HG1 ILE 41 2HG1 ILE 41 -2.794 -5.791 -5.519 352 2HG1 ILE 41 1HG1 ILE 41 -1.159 -5.380 -6.031 353 1HG2 ILE 41 1HG2 ILE 41 -4.604 -4.686 -8.397 354 2HG2 ILE 41 2HG2 ILE 41 -4.232 -3.395 -7.259 355 3HG2 ILE 41 3HG2 ILE 41 -4.675 -4.994 -6.662 356 1HD1 ILE 41 1HD1 ILE 41 -3.063 -3.793 -4.512 357 2HD1 ILE 41 2HD1 ILE 41 -2.507 -2.921 -5.941 358 3HD1 ILE 41 3HD1 ILE 41 -1.339 -3.525 -4.765 359 H ILE 42 H ILE 42 -4.948 -6.494 -7.530 360 HA ILE 42 HA ILE 42 -4.691 -8.423 -5.477 361 HB ILE 42 HB ILE 42 -6.753 -7.089 -5.962 362 1HG1 ILE 42 2HG1 ILE 42 -7.282 -10.074 -5.991 363 2HG1 ILE 42 1HG1 ILE 42 -6.725 -9.205 -4.560 364 1HG2 ILE 42 1HG2 ILE 42 -6.594 -7.590 -8.471 365 2HG2 ILE 42 2HG2 ILE 42 -8.203 -7.677 -7.757 366 3HG2 ILE 42 3HG2 ILE 42 -7.307 -9.158 -8.095 367 1HD1 ILE 42 1HD1 ILE 42 -9.252 -9.518 -4.752 368 2HD1 ILE 42 2HD1 ILE 42 -9.196 -8.381 -6.099 369 3HD1 ILE 42 3HD1 ILE 42 -8.702 -7.864 -4.488 370 H ARG 43 H ARG 43 -5.126 -8.868 -8.971 371 HA ARG 43 HA ARG 43 -5.474 -11.703 -8.919 372 1HB ARG 43 2HB ARG 43 -5.994 -10.431 -10.922 373 2HB ARG 43 1HB ARG 43 -4.320 -9.893 -11.060 374 1HG ARG 43 2HG ARG 43 -3.556 -12.139 -11.507 375 2HG ARG 43 1HG ARG 43 -5.146 -12.808 -11.134 376 1HD ARG 43 2HD ARG 43 -6.122 -11.737 -13.068 377 2HD ARG 43 1HD ARG 43 -4.636 -10.842 -13.383 378 HE ARG 43 HE ARG 43 -3.887 -13.533 -13.440 379 1HH1 ARG 43 1HH2 ARG 43 -6.146 -11.460 -15.018 380 2HH1 ARG 43 2HH2 ARG 43 -6.122 -12.346 -16.507 381 1HH2 ARG 43 1HH1 ARG 43 -3.843 -14.701 -15.376 382 2HH2 ARG 43 2HH1 ARG 43 -4.818 -14.179 -16.709 383 H TYR 44 H TYR 44 -2.534 -9.698 -9.082 384 HA TYR 44 HA TYR 44 -0.765 -11.960 -9.456 385 1HB TYR 44 2HB TYR 44 -0.418 -9.056 -8.754 386 2HB TYR 44 1HB TYR 44 0.943 -10.161 -8.567 387 HD1 TYR 44 1HD TYR 44 2.361 -9.426 -10.331 388 HD2 TYR 44 2HD TYR 44 -1.747 -10.383 -11.145 389 HE1 TYR 44 1HE TYR 44 2.811 -9.299 -12.764 390 HE2 TYR 44 2HE TYR 44 -1.296 -10.257 -13.574 391 HH TYR 44 HH TYR 44 1.228 -8.784 -14.901 392 H TYR 45 H TYR 45 -1.883 -10.103 -6.655 393 HA TYR 45 HA TYR 45 -0.232 -11.735 -4.839 394 1HB TYR 45 2HB TYR 45 -2.155 -9.442 -4.400 395 2HB TYR 45 1HB TYR 45 -1.332 -10.279 -3.082 396 HD1 TYR 45 1HD TYR 45 -1.093 -7.595 -5.359 397 HD2 TYR 45 2HD TYR 45 1.271 -10.620 -3.442 398 HE1 TYR 45 1HE TYR 45 0.956 -6.269 -5.796 399 HE2 TYR 45 2HE TYR 45 3.316 -9.297 -3.872 400 HH TYR 45 HH TYR 45 4.040 -7.159 -4.398 401 H THR 46 H THR 46 -3.705 -10.861 -4.645 402 HA THR 46 HA THR 46 -5.491 -12.155 -3.826 403 HB THR 46 HB THR 46 -4.214 -14.566 -5.082 404 HG1 THR 46 1HG THR 46 -5.035 -13.640 -7.109 405 1HG2 THR 46 1HG2 THR 46 -6.989 -13.367 -5.258 406 2HG2 THR 46 2HG2 THR 46 -6.507 -14.609 -4.102 407 3HG2 THR 46 3HG2 THR 46 -6.495 -14.960 -5.830 408 H ARG 47 H ARG 47 -2.619 -12.248 -2.515 409 HA ARG 47 HA ARG 47 -2.918 -14.744 -0.935 410 1HB ARG 47 2HB ARG 47 -0.692 -13.850 0.067 411 2HB ARG 47 1HB ARG 47 -0.672 -14.446 -1.593 412 1HG ARG 47 2HG ARG 47 -0.517 -12.317 -2.512 413 2HG ARG 47 1HG ARG 47 -1.260 -11.541 -1.112 414 1HD ARG 47 2HD ARG 47 0.865 -12.302 0.174 415 2HD ARG 47 1HD ARG 47 1.568 -12.544 -1.425 416 HE ARG 47 HE ARG 47 1.582 -10.184 -1.734 417 1HH1 ARG 47 1HH2 ARG 47 -0.173 -11.178 1.064 418 2HH1 ARG 47 2HH2 ARG 47 -0.304 -9.577 1.712 419 1HH2 ARG 47 1HH1 ARG 47 1.418 -8.089 -0.903 420 2HH2 ARG 47 2HH1 ARG 47 0.595 -7.831 0.598 421 H GLU 48 H GLU 48 -4.577 -14.325 0.545 422 HA GLU 48 HA GLU 48 -3.952 -12.838 2.890 423 1HB GLU 48 2HB GLU 48 -5.810 -11.077 2.586 424 2HB GLU 48 1HB GLU 48 -4.289 -10.793 1.744 425 1HG GLU 48 2HG GLU 48 -6.146 -12.412 0.151 426 2HG GLU 48 1HG GLU 48 -6.823 -10.840 0.569 427 H ALA 49 H ALA 49 -6.131 -12.473 4.204 428 HA ALA 49 HA ALA 49 -8.165 -14.520 3.498 429 1HB ALA 49 1HB ALA 49 -8.034 -15.333 5.927 430 2HB ALA 49 2HB ALA 49 -6.475 -14.512 6.009 431 3HB ALA 49 3HB ALA 49 -6.717 -15.836 4.867 432 H GLY 50 H GLY 50 -8.718 -11.915 3.266 433 1HA GLY 50 2HA GLY 50 -10.959 -11.394 4.802 434 2HA GLY 50 1HA GLY 50 -9.639 -10.693 5.742 435 H VAL 51 H VAL 51 -11.831 -9.287 4.345 436 HA VAL 51 HA VAL 51 -10.716 -8.062 1.965 437 HB VAL 51 HB VAL 51 -12.594 -6.432 2.242 438 1HG1 VAL 51 1HG1 VAL 51 -14.336 -8.039 1.772 439 2HG1 VAL 51 2HG1 VAL 51 -13.460 -9.310 2.624 440 3HG1 VAL 51 3HG1 VAL 51 -12.831 -8.672 1.104 441 1HG2 VAL 51 1HG2 VAL 51 -13.012 -8.043 4.776 442 2HG2 VAL 51 2HG2 VAL 51 -14.261 -7.022 4.064 443 3HG2 VAL 51 3HG2 VAL 51 -12.759 -6.303 4.644 444 H ARG 52 H ARG 52 -10.963 -7.086 5.385 445 HA ARG 52 HA ARG 52 -10.065 -4.470 5.303 446 1HB ARG 52 2HB ARG 52 -10.563 -5.845 7.376 447 2HB ARG 52 1HB ARG 52 -8.938 -6.517 7.230 448 1HG ARG 52 2HG ARG 52 -8.493 -3.784 7.000 449 2HG ARG 52 1HG ARG 52 -9.781 -3.871 8.201 450 1HD ARG 52 2HD ARG 52 -7.176 -5.421 8.316 451 2HD ARG 52 1HD ARG 52 -7.545 -3.977 9.258 452 HE ARG 52 HE ARG 52 -8.595 -6.672 9.749 453 1HH1 ARG 52 1HH2 ARG 52 -8.910 -3.265 10.183 454 2HH1 ARG 52 2HH2 ARG 52 -9.862 -3.403 11.624 455 1HH2 ARG 52 1HH1 ARG 52 -9.834 -6.870 11.628 456 2HH2 ARG 52 2HH1 ARG 52 -10.384 -5.443 12.441 457 H SER 53 H SER 53 -7.930 -7.349 5.329 458 HA SER 53 HA SER 53 -5.490 -5.929 5.033 459 1HB SER 53 2HB SER 53 -6.020 -8.627 3.791 460 2HB SER 53 1HB SER 53 -4.505 -8.007 4.440 461 HG SER 53 HG SER 53 -5.825 -9.505 5.792 462 H LEU 54 H LEU 54 -7.653 -7.300 2.555 463 HA LEU 54 HA LEU 54 -6.150 -6.634 0.272 464 1HB LEU 54 2HB LEU 54 -8.801 -7.496 0.817 465 2HB LEU 54 1HB LEU 54 -8.953 -6.067 -0.203 466 HG LEU 54 HG LEU 54 -7.084 -8.359 -0.859 467 1HD1 LEU 54 1HD1 LEU 54 -8.801 -9.160 -2.402 468 2HD1 LEU 54 2HD1 LEU 54 -9.885 -7.859 -1.911 469 3HD1 LEU 54 3HD1 LEU 54 -9.455 -9.128 -0.765 470 1HD2 LEU 54 1HD2 LEU 54 -6.859 -7.316 -2.963 471 2HD2 LEU 54 2HD2 LEU 54 -6.862 -5.954 -1.842 472 3HD2 LEU 54 3HD2 LEU 54 -8.323 -6.356 -2.745 473 H GLU 55 H GLU 55 -8.394 -4.621 2.153 474 HA GLU 55 HA GLU 55 -8.198 -2.295 0.493 475 1HB GLU 55 2HB GLU 55 -8.691 -2.413 3.485 476 2HB GLU 55 1HB GLU 55 -9.106 -1.080 2.407 477 1HG GLU 55 2HG GLU 55 -10.721 -2.433 1.233 478 2HG GLU 55 1HG GLU 55 -10.195 -3.887 2.081 479 H ARG 56 H ARG 56 -6.279 -3.449 3.251 480 HA ARG 56 HA ARG 56 -4.674 -1.079 3.482 481 1HB ARG 56 2HB ARG 56 -4.926 -3.360 4.960 482 2HB ARG 56 1HB ARG 56 -3.398 -3.684 4.142 483 1HG ARG 56 2HG ARG 56 -2.439 -1.622 4.985 484 2HG ARG 56 1HG ARG 56 -3.994 -1.119 5.651 485 1HD ARG 56 2HD ARG 56 -3.953 -2.801 7.320 486 2HD ARG 56 1HD ARG 56 -2.678 -3.701 6.500 487 HE ARG 56 HE ARG 56 -1.113 -2.320 7.586 488 1HH1 ARG 56 1HH2 ARG 56 -4.232 -0.857 7.448 489 2HH1 ARG 56 2HH2 ARG 56 -3.784 0.501 8.425 490 1HH2 ARG 56 1HH1 ARG 56 -0.513 -0.557 8.866 491 2HH2 ARG 56 2HH1 ARG 56 -1.679 0.671 9.227 492 H GLN 57 H GLN 57 -4.314 -4.056 1.573 493 HA GLN 57 HA GLN 57 -1.694 -3.429 0.563 494 1HB GLN 57 2HB GLN 57 -3.851 -5.363 -0.066 495 2HB GLN 57 1HB GLN 57 -2.808 -4.951 -1.427 496 1HG GLN 57 2HG GLN 57 -1.946 -6.904 -0.156 497 2HG GLN 57 1HG GLN 57 -0.822 -5.545 -0.120 498 1HE2 GLN 57 1HE2 GLN 57 -0.024 -5.120 1.935 499 2HE2 GLN 57 2HE2 GLN 57 -0.841 -5.438 3.388 500 H LEU 58 H LEU 58 -4.964 -2.905 -0.793 501 HA LEU 58 HA LEU 58 -4.050 -1.585 -3.172 502 1HB LEU 58 2HB LEU 58 -6.679 -1.169 -1.717 503 2HB LEU 58 1HB LEU 58 -6.356 -0.844 -3.421 504 HG LEU 58 HG LEU 58 -5.846 -3.600 -2.343 505 1HD1 LEU 58 1HD1 LEU 58 -8.265 -4.084 -3.147 506 2HD1 LEU 58 2HD1 LEU 58 -8.534 -2.357 -2.921 507 3HD1 LEU 58 3HD1 LEU 58 -8.057 -3.361 -1.554 508 1HD2 LEU 58 1HD2 LEU 58 -6.893 -2.585 -5.006 509 2HD2 LEU 58 2HD2 LEU 58 -6.366 -4.227 -4.644 510 3HD2 LEU 58 3HD2 LEU 58 -5.195 -2.909 -4.665 511 H ALA 59 H ALA 59 -5.023 -0.376 0.025 512 HA ALA 59 HA ALA 59 -4.735 2.404 -0.588 513 1HB ALA 59 1HB ALA 59 -4.319 2.587 1.939 514 2HB ALA 59 2HB ALA 59 -4.505 0.833 1.991 515 3HB ALA 59 3HB ALA 59 -5.845 1.848 1.456 516 H ALA 60 H ALA 60 -2.481 -0.101 0.449 517 HA ALA 60 HA ALA 60 -0.227 1.552 0.990 518 1HB ALA 60 1HB ALA 60 -0.095 -1.221 -0.211 519 2HB ALA 60 2HB ALA 60 -0.480 -0.932 1.486 520 3HB ALA 60 3HB ALA 60 1.087 -0.441 0.842 521 H ILE 61 H ILE 61 -1.031 -0.193 -2.057 522 HA ILE 61 HA ILE 61 1.174 0.875 -3.515 523 HB ILE 61 HB ILE 61 -0.605 -1.025 -4.097 524 1HG1 ILE 61 2HG1 ILE 61 0.735 0.752 -6.158 525 2HG1 ILE 61 1HG1 ILE 61 1.477 -0.616 -5.327 526 1HG2 ILE 61 1HG2 ILE 61 -2.458 0.679 -4.331 527 2HG2 ILE 61 2HG2 ILE 61 -2.232 -0.349 -5.740 528 3HG2 ILE 61 3HG2 ILE 61 -1.620 1.303 -5.751 529 1HD1 ILE 61 1HD1 ILE 61 0.760 -1.419 -7.477 530 2HD1 ILE 61 2HD1 ILE 61 -0.834 -0.686 -7.285 531 3HD1 ILE 61 3HD1 ILE 61 -0.371 -2.066 -6.290 532 H CYS 62 H CYS 62 -2.187 2.035 -3.250 533 HA CYS 62 HA CYS 62 -1.964 4.230 -5.019 534 1HB CYS 62 2HB CYS 62 -3.657 3.761 -2.565 535 2HB CYS 62 1HB CYS 62 -3.797 5.234 -3.525 536 HG CYS 62 HG CYS 62 -4.528 3.802 -5.570 537 H ARG 63 H ARG 63 -1.950 4.580 -1.441 538 HA ARG 63 HA ARG 63 -0.863 7.178 -1.451 539 1HB ARG 63 2HB ARG 63 -0.187 6.767 0.865 540 2HB ARG 63 1HB ARG 63 -1.800 6.129 0.562 541 1HG ARG 63 2HG ARG 63 -1.002 4.205 1.485 542 2HG ARG 63 1HG ARG 63 -0.217 3.962 -0.072 543 1HD ARG 63 2HD ARG 63 1.422 3.720 1.733 544 2HD ARG 63 1HD ARG 63 1.793 5.156 0.780 545 HE ARG 63 HE ARG 63 1.296 6.477 2.674 546 1HH1 ARG 63 1HH2 ARG 63 0.105 3.255 2.970 547 2HH1 ARG 63 2HH2 ARG 63 -0.369 3.441 4.625 548 1HH2 ARG 63 1HH1 ARG 63 0.683 6.738 4.833 549 2HH2 ARG 63 2HH1 ARG 63 -0.041 5.413 5.680 550 H LYS 64 H LYS 64 0.857 4.041 -1.388 551 HA LYS 64 HA LYS 64 3.493 4.912 -1.102 552 1HB LYS 64 2HB LYS 64 3.037 2.547 -1.399 553 2HB LYS 64 1HB LYS 64 2.363 2.830 -3.004 554 1HG LYS 64 2HG LYS 64 4.705 1.940 -3.058 555 2HG LYS 64 1HG LYS 64 4.540 3.505 -3.855 556 1HD LYS 64 2HD LYS 64 5.599 4.655 -2.105 557 2HD LYS 64 1HD LYS 64 5.284 3.368 -0.940 558 1HE LYS 64 2HE LYS 64 7.666 3.415 -1.627 559 2HE LYS 64 1HE LYS 64 6.883 1.904 -2.092 560 1HZ LYS 64 1HZ LYS 64 6.694 4.008 -4.059 561 2HZ LYS 64 2HZ LYS 64 7.094 2.367 -4.254 562 3HZ LYS 64 3HZ LYS 64 8.279 3.481 -3.761 563 H ALA 65 H ALA 65 1.362 5.059 -3.897 564 HA ALA 65 HA ALA 65 3.291 6.268 -5.683 565 1HB ALA 65 1HB ALA 65 1.488 6.492 -7.187 566 2HB ALA 65 2HB ALA 65 0.303 6.637 -5.891 567 3HB ALA 65 3HB ALA 65 1.040 5.075 -6.242 568 H ALA 66 H ALA 66 0.816 7.478 -3.428 569 HA ALA 66 HA ALA 66 0.938 10.230 -4.138 570 1HB ALA 66 1HB ALA 66 0.545 9.063 -1.365 571 2HB ALA 66 2HB ALA 66 -0.733 9.231 -2.569 572 3HB ALA 66 3HB ALA 66 0.048 10.667 -1.905 573 H LYS 67 H LYS 67 2.960 8.295 -1.957 574 HA LYS 67 HA LYS 67 4.500 10.464 -0.913 575 1HB LYS 67 2HB LYS 67 4.459 8.131 0.013 576 2HB LYS 67 1HB LYS 67 5.424 7.616 -1.370 577 1HG LYS 67 2HG LYS 67 7.230 9.108 -0.737 578 2HG LYS 67 1HG LYS 67 6.254 9.802 0.557 579 1HD LYS 67 2HD LYS 67 6.100 7.401 1.486 580 2HD LYS 67 1HD LYS 67 7.420 7.021 0.380 581 1HE LYS 67 2HE LYS 67 8.276 7.626 2.620 582 2HE LYS 67 1HE LYS 67 8.797 8.788 1.401 583 1HZ LYS 67 1HZ LYS 67 6.369 9.176 3.053 584 2HZ LYS 67 2HZ LYS 67 7.168 10.323 2.088 585 3HZ LYS 67 3HZ LYS 67 7.894 9.755 3.517 586 H ALA 68 H ALA 68 4.909 8.426 -3.785 587 HA ALA 68 HA ALA 68 7.473 9.270 -4.589 588 1HB ALA 68 1HB ALA 68 6.854 8.599 -6.826 589 2HB ALA 68 2HB ALA 68 5.139 8.789 -6.460 590 3HB ALA 68 3HB ALA 68 6.064 7.492 -5.702 591 H ILE 69 H ILE 69 4.778 11.202 -4.094 592 HA ILE 69 HA ILE 69 4.722 13.072 -6.160 593 HB ILE 69 HB ILE 69 4.425 13.338 -3.175 594 1HG1 ILE 69 2HG1 ILE 69 2.705 12.365 -4.937 595 2HG1 ILE 69 1HG1 ILE 69 2.141 13.412 -3.637 596 1HG2 ILE 69 1HG2 ILE 69 4.502 15.558 -5.218 597 2HG2 ILE 69 2HG2 ILE 69 5.302 15.481 -3.649 598 3HG2 ILE 69 3HG2 ILE 69 3.556 15.709 -3.737 599 1HD1 ILE 69 1HD1 ILE 69 1.379 13.914 -6.089 600 2HD1 ILE 69 2HD1 ILE 69 2.989 14.608 -6.267 601 3HD1 ILE 69 3HD1 ILE 69 1.878 15.256 -5.061 602 H VAL 70 H VAL 70 7.351 12.323 -4.077 603 HA VAL 70 HA VAL 70 8.720 14.893 -4.422 604 HB VAL 70 HB VAL 70 9.117 13.535 -2.402 605 1HG1 VAL 70 1HG1 VAL 70 10.189 11.382 -2.514 606 2HG1 VAL 70 2HG1 VAL 70 10.452 11.542 -4.251 607 3HG1 VAL 70 3HG1 VAL 70 8.817 11.333 -3.622 608 1HG2 VAL 70 1HG2 VAL 70 11.493 13.771 -2.353 609 2HG2 VAL 70 2HG2 VAL 70 10.925 15.003 -3.482 610 3HG2 VAL 70 3HG2 VAL 70 11.628 13.504 -4.091 611 H ALA 71 H ALA 71 8.295 12.055 -6.266 612 HA ALA 71 HA ALA 71 10.846 12.264 -7.710 613 1HB ALA 71 1HB ALA 71 8.393 10.667 -8.495 614 2HB ALA 71 2HB ALA 71 9.587 10.088 -7.332 615 3HB ALA 71 3HB ALA 71 10.061 10.396 -9.002 616 H GLU 72 H GLU 72 10.141 11.980 -10.345 617 HA GLU 72 HA GLU 72 9.054 14.673 -10.947 618 1HB GLU 72 2HB GLU 72 10.526 12.606 -12.596 619 2HB GLU 72 1HB GLU 72 9.840 14.071 -13.298 620 1HG GLU 72 2HG GLU 72 11.736 14.132 -10.942 621 2HG GLU 72 1HG GLU 72 12.295 14.215 -12.613 622 H GLU 73 H GLU 73 6.895 13.519 -10.159 623 HA GLU 73 HA GLU 73 5.320 13.064 -12.563 624 1HB GLU 73 2HB GLU 73 6.420 10.807 -12.044 625 2HB GLU 73 1HB GLU 73 5.418 10.773 -10.592 626 1HG GLU 73 2HG GLU 73 3.399 11.085 -12.038 627 2HG GLU 73 1HG GLU 73 4.441 10.954 -13.455 628 H ARG 74 H ARG 74 4.690 15.069 -11.139 629 HA ARG 74 HA ARG 74 2.830 14.275 -8.947 630 1HB ARG 74 2HB ARG 74 3.720 17.054 -9.771 631 2HB ARG 74 1HB ARG 74 2.861 16.611 -8.296 632 1HG ARG 74 2HG ARG 74 4.783 15.240 -7.582 633 2HG ARG 74 1HG ARG 74 5.645 15.679 -9.056 634 1HD ARG 74 2HD ARG 74 5.711 18.003 -8.417 635 2HD ARG 74 1HD ARG 74 4.629 17.713 -7.055 636 HE ARG 74 HE ARG 74 6.479 16.901 -5.824 637 1HH1 ARG 74 1HH2 ARG 74 7.131 17.118 -9.202 638 2HH1 ARG 74 2HH2 ARG 74 8.821 16.780 -9.034 639 1HH2 ARG 74 1HH1 ARG 74 8.683 16.458 -5.583 640 2HH2 ARG 74 2HH1 ARG 74 9.700 16.406 -6.985 641 H LYS 75 H LYS 75 0.876 16.034 -8.956 642 HA LYS 75 HA LYS 75 -1.033 16.849 -10.060 643 1HB LYS 75 2HB LYS 75 0.911 17.457 -11.819 644 2HB LYS 75 1HB LYS 75 0.063 16.244 -12.774 645 1HG LYS 75 2HG LYS 75 -2.090 17.545 -12.146 646 2HG LYS 75 1HG LYS 75 -0.995 18.850 -11.687 647 1HD LYS 75 2HD LYS 75 0.051 18.637 -13.992 648 2HD LYS 75 1HD LYS 75 -1.284 17.564 -14.413 649 1HE LYS 75 2HE LYS 75 -2.090 19.644 -15.120 650 2HE LYS 75 1HE LYS 75 -2.789 19.510 -13.506 651 1HZ LYS 75 1HZ LYS 75 -0.724 21.286 -14.487 652 2HZ LYS 75 2HZ LYS 75 -0.415 20.604 -12.961 653 3HZ LYS 75 3HZ LYS 75 -1.833 21.504 -13.223 654 H ARG 76 H ARG 76 -2.275 15.062 -9.357 655 HA ARG 76 HA ARG 76 -3.430 13.016 -9.545 656 1HB ARG 76 2HB ARG 76 -3.414 14.007 -12.409 657 2HB ARG 76 1HB ARG 76 -4.423 12.681 -11.827 658 1HG ARG 76 2HG ARG 76 -5.627 14.115 -10.346 659 2HG ARG 76 1HG ARG 76 -4.456 15.421 -10.547 660 1HD ARG 76 2HD ARG 76 -5.089 15.563 -12.960 661 2HD ARG 76 1HD ARG 76 -6.332 14.345 -12.673 662 HE ARG 76 HE ARG 76 -7.661 16.035 -11.715 663 1HH1 ARG 76 1HH2 ARG 76 -4.322 16.891 -11.748 664 2HH1 ARG 76 2HH2 ARG 76 -4.590 18.494 -11.149 665 1HH2 ARG 76 1HH1 ARG 76 -8.031 18.124 -10.936 666 2HH2 ARG 76 2HH1 ARG 76 -6.690 19.193 -10.688 667 H ILE 77 H ILE 77 -1.993 11.345 -9.080 668 HA ILE 77 HA ILE 77 0.030 10.518 -11.019 669 HB ILE 77 HB ILE 77 -0.936 9.094 -8.522 670 1HG1 ILE 77 2HG1 ILE 77 1.508 10.853 -8.857 671 2HG1 ILE 77 1HG1 ILE 77 -0.027 11.469 -8.242 672 1HG2 ILE 77 1HG2 ILE 77 1.453 8.780 -10.351 673 2HG2 ILE 77 2HG2 ILE 77 0.278 7.553 -9.877 674 3HG2 ILE 77 3HG2 ILE 77 1.447 8.156 -8.703 675 1HD1 ILE 77 1HD1 ILE 77 1.350 9.062 -7.041 676 2HD1 ILE 77 2HD1 ILE 77 0.034 10.013 -6.353 677 3HD1 ILE 77 3HD1 ILE 77 1.652 10.705 -6.477 678 H THR 78 H THR 78 -0.306 9.118 -12.669 679 HA THR 78 HA THR 78 -2.912 7.717 -12.810 680 HB THR 78 HB THR 78 -0.825 7.711 -14.977 681 HG1 THR 78 1HG THR 78 -1.517 9.680 -15.627 682 1HG2 THR 78 1HG2 THR 78 -2.861 6.296 -15.181 683 2HG2 THR 78 2HG2 THR 78 -2.792 7.551 -16.418 684 3HG2 THR 78 3HG2 THR 78 -3.856 7.744 -15.024 685 H VAL 79 H VAL 79 -3.074 5.580 -12.400 686 HA VAL 79 HA VAL 79 -0.550 4.034 -12.035 687 HB VAL 79 HB VAL 79 -3.349 3.110 -11.369 688 1HG1 VAL 79 1HG1 VAL 79 -2.072 1.773 -9.676 689 2HG1 VAL 79 2HG1 VAL 79 -0.577 2.391 -10.377 690 3HG1 VAL 79 3HG1 VAL 79 -1.651 1.378 -11.341 691 1HG2 VAL 79 1HG2 VAL 79 -3.109 5.200 -10.200 692 2HG2 VAL 79 2HG2 VAL 79 -1.447 4.821 -9.748 693 3HG2 VAL 79 3HG2 VAL 79 -2.783 3.922 -9.030 694 H THR 80 H THR 80 -0.545 1.769 -12.904 695 HA THR 80 HA THR 80 -2.419 1.050 -14.999 696 HB THR 80 HB THR 80 0.370 1.558 -16.014 697 HG1 THR 80 1HG THR 80 0.042 3.609 -15.936 698 1HG2 THR 80 1HG2 THR 80 -2.250 1.803 -17.483 699 2HG2 THR 80 2HG2 THR 80 -1.511 0.225 -17.212 700 3HG2 THR 80 3HG2 THR 80 -0.648 1.457 -18.135 701 H GLU 81 H GLU 81 -2.038 -1.109 -15.743 702 HA GLU 81 HA GLU 81 -1.064 -2.977 -13.959 703 1HB GLU 81 2HB GLU 81 -0.841 -4.535 -15.865 704 2HB GLU 81 1HB GLU 81 -2.318 -3.580 -15.990 705 1HG GLU 81 2HG GLU 81 -0.667 -1.946 -17.351 706 2HG GLU 81 1HG GLU 81 0.155 -3.474 -17.659 707 H LYS 82 H LYS 82 0.840 -1.343 -16.496 708 HA LYS 82 HA LYS 82 3.277 -2.772 -15.746 709 1HB LYS 82 2HB LYS 82 2.776 -1.843 -18.063 710 2HB LYS 82 1HB LYS 82 3.072 -0.239 -17.393 711 1HG LYS 82 2HG LYS 82 5.319 -1.214 -16.556 712 2HG LYS 82 1HG LYS 82 5.010 -2.535 -17.680 713 1HD LYS 82 2HD LYS 82 6.203 -1.105 -19.064 714 2HD LYS 82 1HD LYS 82 4.563 -0.542 -19.384 715 1HE LYS 82 2HE LYS 82 5.798 1.437 -18.952 716 2HE LYS 82 1HE LYS 82 4.945 1.115 -17.443 717 1HZ LYS 82 1HZ LYS 82 7.242 -0.307 -17.193 718 2HZ LYS 82 2HZ LYS 82 6.943 1.217 -16.504 719 3HZ LYS 82 3HZ LYS 82 7.761 1.098 -17.989 720 H ASN 83 H ASN 83 1.716 0.231 -14.874 721 HA ASN 83 HA ASN 83 3.998 1.532 -13.723 722 1HB ASN 83 2HB ASN 83 1.623 2.477 -14.256 723 2HB ASN 83 1HB ASN 83 1.204 1.876 -12.652 724 1HD2 ASN 83 1HD2 ASN 83 3.982 2.388 -11.608 725 2HD2 ASN 83 2HD2 ASN 83 4.083 4.070 -11.409 726 H LEU 84 H LEU 84 1.611 -0.747 -12.415 727 HA LEU 84 HA LEU 84 2.118 -0.645 -9.693 728 1HB LEU 84 2HB LEU 84 2.067 -3.309 -11.114 729 2HB LEU 84 1HB LEU 84 1.389 -2.889 -9.541 730 HG LEU 84 HG LEU 84 0.380 -2.051 -12.268 731 1HD1 LEU 84 1HD1 LEU 84 -0.738 -3.672 -9.971 732 2HD1 LEU 84 2HD1 LEU 84 -0.451 -4.200 -11.629 733 3HD1 LEU 84 3HD1 LEU 84 -1.744 -3.053 -11.280 734 1HD2 LEU 84 1HD2 LEU 84 -0.238 -0.973 -9.515 735 2HD2 LEU 84 2HD2 LEU 84 -1.415 -0.874 -10.823 736 3HD2 LEU 84 3HD2 LEU 84 0.147 -0.072 -10.980 737 H GLN 85 H GLN 85 4.101 -2.332 -12.131 738 HA GLN 85 HA GLN 85 6.033 -3.433 -10.385 739 1HB GLN 85 2HB GLN 85 5.867 -3.866 -12.854 740 2HB GLN 85 1HB GLN 85 6.561 -2.270 -13.136 741 1HG GLN 85 2HG GLN 85 8.573 -2.915 -11.859 742 2HG GLN 85 1HG GLN 85 7.883 -4.514 -11.582 743 1HE2 GLN 85 1HE2 GLN 85 9.028 -5.926 -12.927 744 2HE2 GLN 85 2HE2 GLN 85 9.336 -5.653 -14.574 745 H ASP 86 H ASP 86 5.808 -0.183 -11.790 746 HA ASP 86 HA ASP 86 8.339 0.748 -10.805 747 1HB ASP 86 2HB ASP 86 5.815 2.265 -11.524 748 2HB ASP 86 1HB ASP 86 7.376 3.021 -11.199 749 H PHE 87 H PHE 87 5.057 0.788 -9.414 750 HA PHE 87 HA PHE 87 5.899 2.340 -7.096 751 1HB PHE 87 2HB PHE 87 3.416 0.688 -7.642 752 2HB PHE 87 1HB PHE 87 3.654 1.640 -6.179 753 HD1 PHE 87 1HD PHE 87 2.118 1.709 -9.282 754 HD2 PHE 87 2HD PHE 87 4.609 4.156 -6.776 755 HE1 PHE 87 1HE PHE 87 1.318 3.735 -10.460 756 HE2 PHE 87 2HE PHE 87 3.812 6.177 -7.962 757 HZ PHE 87 HZ PHE 87 2.167 5.970 -9.804 758 H ILE 88 H ILE 88 4.720 -1.029 -7.360 759 HA ILE 88 HA ILE 88 5.940 -1.696 -4.798 760 HB ILE 88 HB ILE 88 4.081 -2.923 -6.690 761 1HG1 ILE 88 2HG1 ILE 88 4.491 -3.539 -3.767 762 2HG1 ILE 88 1HG1 ILE 88 3.696 -2.060 -4.305 763 1HG2 ILE 88 1HG2 ILE 88 5.757 -4.606 -7.024 764 2HG2 ILE 88 2HG2 ILE 88 4.591 -5.258 -5.882 765 3HG2 ILE 88 3HG2 ILE 88 6.139 -4.649 -5.303 766 1HD1 ILE 88 1HD1 ILE 88 2.788 -4.729 -5.361 767 2HD1 ILE 88 2HD1 ILE 88 1.886 -3.218 -5.243 768 3HD1 ILE 88 3HD1 ILE 88 2.226 -4.158 -3.790 769 H GLY 89 H GLY 89 6.494 -2.763 -8.180 770 1HA GLY 89 2HA GLY 89 8.428 -3.654 -9.172 771 2HA GLY 89 1HA GLY 89 9.329 -2.703 -7.990 772 H LYS 90 H LYS 90 7.098 -5.471 -7.630 773 HA LYS 90 HA LYS 90 9.153 -7.358 -6.942 774 1HB LYS 90 2HB LYS 90 9.170 -5.764 -4.933 775 2HB LYS 90 1HB LYS 90 7.554 -6.368 -4.571 776 1HG LYS 90 2HG LYS 90 8.841 -7.832 -3.304 777 2HG LYS 90 1HG LYS 90 8.716 -8.733 -4.812 778 1HD LYS 90 2HD LYS 90 11.011 -8.829 -4.459 779 2HD LYS 90 1HD LYS 90 10.904 -7.368 -5.438 780 1HE LYS 90 2HE LYS 90 12.272 -6.756 -3.598 781 2HE LYS 90 1HE LYS 90 10.684 -6.095 -3.211 782 1HZ LYS 90 1HZ LYS 90 10.879 -8.767 -2.309 783 2HZ LYS 90 2HZ LYS 90 10.582 -7.355 -1.412 784 3HZ LYS 90 3HZ LYS 90 12.178 -7.863 -1.699 785 H ARG 91 H ARG 91 8.095 -9.053 -7.880 786 HA ARG 91 HA ARG 91 5.192 -9.430 -7.251 787 1HB ARG 91 2HB ARG 91 5.249 -10.933 -9.290 788 2HB ARG 91 1HB ARG 91 5.551 -9.227 -9.623 789 1HG ARG 91 2HG ARG 91 7.944 -9.604 -9.716 790 2HG ARG 91 1HG ARG 91 7.742 -11.276 -9.188 791 1HD ARG 91 2HD ARG 91 6.448 -11.761 -11.240 792 2HD ARG 91 1HD ARG 91 6.681 -10.096 -11.773 793 HE ARG 91 HE ARG 91 9.258 -10.952 -11.366 794 1HH1 ARG 91 1HH2 ARG 91 6.505 -12.217 -13.010 795 2HH1 ARG 91 2HH2 ARG 91 7.437 -13.046 -14.212 796 1HH2 ARG 91 1HH1 ARG 91 10.492 -12.029 -12.927 797 2HH2 ARG 91 2HH1 ARG 91 9.694 -12.939 -14.165 798 H ILE 92 H ILE 92 4.493 -11.697 -6.965 799 HA ILE 92 HA ILE 92 6.659 -13.439 -5.841 800 HB ILE 92 HB ILE 92 3.804 -13.217 -4.841 801 1HG1 ILE 92 2HG1 ILE 92 6.381 -12.177 -3.618 802 2HG1 ILE 92 1HG1 ILE 92 5.148 -11.172 -4.379 803 1HG2 ILE 92 1HG2 ILE 92 4.655 -14.591 -2.978 804 2HG2 ILE 92 2HG2 ILE 92 6.248 -14.636 -3.734 805 3HG2 ILE 92 3HG2 ILE 92 4.878 -15.424 -4.516 806 1HD1 ILE 92 1HD1 ILE 92 4.770 -11.140 -1.987 807 2HD1 ILE 92 2HD1 ILE 92 4.813 -12.902 -1.914 808 3HD1 ILE 92 3HD1 ILE 92 3.482 -12.085 -2.734 809 H PHE 93 H PHE 93 3.266 -13.527 -6.990 810 HA PHE 93 HA PHE 93 3.403 -16.320 -7.721 811 1HB PHE 93 2HB PHE 93 1.495 -14.107 -8.535 812 2HB PHE 93 1HB PHE 93 1.278 -15.801 -8.974 813 HD1 PHE 93 1HD PHE 93 0.186 -17.270 -7.500 814 HD2 PHE 93 2HD PHE 93 1.781 -13.572 -6.004 815 HE1 PHE 93 1HE PHE 93 -0.871 -17.704 -5.299 816 HE2 PHE 93 2HE PHE 93 0.725 -14.007 -3.804 817 HZ PHE 93 HZ PHE 93 -0.603 -16.072 -3.451 818 H ARG 94 H ARG 94 5.100 -16.723 -9.156 819 HA ARG 94 HA ARG 94 5.390 -15.026 -11.555 820 1HB ARG 94 2HB ARG 94 7.203 -16.983 -11.964 821 2HB ARG 94 1HB ARG 94 7.528 -15.595 -10.929 822 1HG ARG 94 2HG ARG 94 8.140 -17.682 -9.787 823 2HG ARG 94 1HG ARG 94 6.799 -16.899 -8.956 824 1HD ARG 94 2HD ARG 94 5.204 -18.403 -10.033 825 2HD ARG 94 1HD ARG 94 6.496 -19.132 -10.987 826 HE ARG 94 HE ARG 94 7.372 -19.548 -8.429 827 1HH1 ARG 94 1HH2 ARG 94 4.362 -19.999 -10.047 828 2HH1 ARG 94 2HH2 ARG 94 3.887 -21.349 -9.071 829 1HH2 ARG 94 1HH1 ARG 94 6.770 -21.310 -7.145 830 2HH2 ARG 94 2HH1 ARG 94 5.251 -22.091 -7.428 831 H TYR 95 H TYR 95 3.085 -15.791 -12.134 832 HA TYR 95 HA TYR 95 1.707 -17.063 -13.539 833 1HB TYR 95 2HB TYR 95 4.177 -16.780 -14.802 834 2HB TYR 95 1HB TYR 95 3.870 -18.512 -14.897 835 HD1 TYR 95 1HD TYR 95 3.046 -15.271 -16.223 836 HD2 TYR 95 2HD TYR 95 1.585 -19.288 -15.785 837 HE1 TYR 95 1HE TYR 95 1.422 -14.880 -18.055 838 HE2 TYR 95 2HE TYR 95 -0.039 -18.895 -17.618 839 HH TYR 95 HH TYR 95 -0.486 -17.485 -19.405 Start of MODEL 4 1 H ALA 1 H ALA 1 -19.793 -10.566 7.034 2 HA ALA 1 HA ALA 1 -17.847 -11.358 8.940 3 1HB ALA 1 1HB ALA 1 -19.684 -11.140 10.572 4 2HB ALA 1 2HB ALA 1 -19.192 -12.825 10.404 5 3HB ALA 1 3HB ALA 1 -20.665 -12.254 9.620 6 H GLY 2 H GLY 2 -18.292 -11.697 6.165 7 1HA GLY 2 2HA GLY 2 -17.510 -14.285 5.636 8 2HA GLY 2 1HA GLY 2 -19.270 -14.401 5.663 9 H TYR 3 H TYR 3 -16.642 -12.493 4.175 10 HA TYR 3 HA TYR 3 -18.419 -11.668 1.979 11 1HB TYR 3 2HB TYR 3 -16.540 -10.379 1.190 12 2HB TYR 3 1HB TYR 3 -16.602 -10.190 2.942 13 HD1 TYR 3 1HD TYR 3 -14.917 -12.010 0.174 14 HD2 TYR 3 2HD TYR 3 -14.836 -10.978 4.342 15 HE1 TYR 3 1HE TYR 3 -12.619 -12.919 0.352 16 HE2 TYR 3 2HE TYR 3 -12.539 -11.886 4.522 17 HH TYR 3 HH TYR 3 -11.150 -13.647 3.228 18 H THR 4 H THR 4 -18.137 -12.327 -0.209 19 HA THR 4 HA THR 4 -16.517 -14.825 -0.568 20 HB THR 4 HB THR 4 -18.266 -15.443 -2.289 21 HG1 THR 4 1HG THR 4 -19.040 -13.211 -2.388 22 1HG2 THR 4 1HG2 THR 4 -18.296 -16.449 -0.061 23 2HG2 THR 4 2HG2 THR 4 -19.948 -16.131 -0.591 24 3HG2 THR 4 3HG2 THR 4 -19.175 -15.058 0.577 25 H GLU 5 H GLU 5 -16.347 -15.156 -3.158 26 HA GLU 5 HA GLU 5 -14.542 -13.277 -4.153 27 1HB GLU 5 2HB GLU 5 -16.484 -15.048 -5.661 28 2HB GLU 5 1HB GLU 5 -15.193 -14.135 -6.443 29 1HG GLU 5 2HG GLU 5 -13.501 -15.316 -5.188 30 2HG GLU 5 1HG GLU 5 -14.723 -16.101 -4.187 31 H ILE 6 H ILE 6 -17.993 -13.464 -5.110 32 HA ILE 6 HA ILE 6 -18.176 -11.143 -6.621 33 HB ILE 6 HB ILE 6 -20.289 -11.822 -4.569 34 1HG1 ILE 6 2HG1 ILE 6 -21.054 -13.324 -6.662 35 2HG1 ILE 6 1HG1 ILE 6 -19.313 -13.417 -6.913 36 1HG2 ILE 6 1HG2 ILE 6 -20.464 -10.911 -7.456 37 2HG2 ILE 6 2HG2 ILE 6 -20.554 -9.831 -6.065 38 3HG2 ILE 6 3HG2 ILE 6 -21.800 -11.055 -6.313 39 1HD1 ILE 6 1HD1 ILE 6 -20.976 -14.529 -4.706 40 2HD1 ILE 6 2HD1 ILE 6 -19.384 -13.917 -4.260 41 3HD1 ILE 6 3HD1 ILE 6 -19.533 -15.192 -5.469 42 H GLU 7 H GLU 7 -18.786 -11.280 -3.086 43 HA GLU 7 HA GLU 7 -19.100 -8.577 -2.553 44 1HB GLU 7 2HB GLU 7 -17.706 -10.752 -0.991 45 2HB GLU 7 1HB GLU 7 -17.820 -9.110 -0.355 46 1HG GLU 7 2HG GLU 7 -20.259 -10.580 -1.364 47 2HG GLU 7 1HG GLU 7 -19.698 -10.758 0.299 48 H LYS 8 H LYS 8 -15.921 -10.230 -2.383 49 HA LYS 8 HA LYS 8 -14.272 -8.016 -2.087 50 1HB LYS 8 2HB LYS 8 -13.966 -10.668 -3.408 51 2HB LYS 8 1HB LYS 8 -12.765 -9.449 -3.833 52 1HG LYS 8 2HG LYS 8 -12.127 -9.153 -1.540 53 2HG LYS 8 1HG LYS 8 -13.492 -10.114 -0.972 54 1HD LYS 8 2HD LYS 8 -11.376 -11.411 -0.937 55 2HD LYS 8 1HD LYS 8 -12.556 -12.114 -2.043 56 1HE LYS 8 2HE LYS 8 -11.416 -11.350 -3.949 57 2HE LYS 8 1HE LYS 8 -10.536 -10.117 -3.044 58 1HZ LYS 8 1HZ LYS 8 -9.937 -12.921 -3.407 59 2HZ LYS 8 2HZ LYS 8 -9.750 -12.360 -1.814 60 3HZ LYS 8 3HZ LYS 8 -8.897 -11.620 -3.083 61 H LEU 9 H LEU 9 -15.750 -9.172 -5.115 62 HA LEU 9 HA LEU 9 -14.421 -7.235 -6.781 63 1HB LEU 9 2HB LEU 9 -15.534 -9.326 -7.618 64 2HB LEU 9 1HB LEU 9 -17.093 -8.583 -7.267 65 HG LEU 9 HG LEU 9 -16.446 -6.672 -8.774 66 1HD1 LEU 9 1HD1 LEU 9 -14.124 -6.666 -8.961 67 2HD1 LEU 9 2HD1 LEU 9 -14.575 -7.469 -10.463 68 3HD1 LEU 9 3HD1 LEU 9 -14.023 -8.422 -9.087 69 1HD2 LEU 9 1HD2 LEU 9 -16.836 -7.941 -10.859 70 2HD2 LEU 9 2HD2 LEU 9 -17.879 -8.522 -9.560 71 3HD2 LEU 9 3HD2 LEU 9 -16.444 -9.441 -10.018 72 H GLU 10 H GLU 10 -17.634 -7.280 -5.228 73 HA GLU 10 HA GLU 10 -18.567 -4.808 -6.257 74 1HB GLU 10 2HB GLU 10 -19.197 -6.519 -3.905 75 2HB GLU 10 1HB GLU 10 -19.715 -4.837 -3.795 76 1HG GLU 10 2HG GLU 10 -21.434 -6.373 -4.812 77 2HG GLU 10 1HG GLU 10 -20.978 -5.021 -5.849 78 H ILE 11 H ILE 11 -16.783 -5.440 -3.209 79 HA ILE 11 HA ILE 11 -16.582 -2.601 -2.616 80 HB ILE 11 HB ILE 11 -14.699 -3.612 -1.015 81 1HG1 ILE 11 2HG1 ILE 11 -16.427 -6.047 -1.203 82 2HG1 ILE 11 1HG1 ILE 11 -15.148 -5.866 -2.402 83 1HG2 ILE 11 1HG2 ILE 11 -16.579 -4.237 0.572 84 2HG2 ILE 11 2HG2 ILE 11 -17.696 -3.964 -0.765 85 3HG2 ILE 11 3HG2 ILE 11 -16.714 -2.634 -0.151 86 1HD1 ILE 11 1HD1 ILE 11 -14.673 -7.038 -0.061 87 2HD1 ILE 11 2HD1 ILE 11 -14.455 -5.370 0.466 88 3HD1 ILE 11 3HD1 ILE 11 -13.457 -6.021 -0.834 89 H VAL 12 H VAL 12 -13.942 -4.953 -3.253 90 HA VAL 12 HA VAL 12 -11.841 -3.250 -3.662 91 HB VAL 12 HB VAL 12 -12.532 -5.573 -5.482 92 1HG1 VAL 12 1HG1 VAL 12 -9.975 -5.648 -5.646 93 2HG1 VAL 12 2HG1 VAL 12 -9.989 -4.023 -4.962 94 3HG1 VAL 12 3HG1 VAL 12 -10.775 -4.335 -6.510 95 1HG2 VAL 12 1HG2 VAL 12 -11.430 -6.971 -3.925 96 2HG2 VAL 12 2HG2 VAL 12 -12.396 -5.906 -2.904 97 3HG2 VAL 12 3HG2 VAL 12 -10.671 -5.608 -3.104 98 H LYS 13 H LYS 13 -14.466 -3.790 -5.995 99 HA LYS 13 HA LYS 13 -13.190 -2.038 -7.941 100 1HB LYS 13 2HB LYS 13 -14.622 -3.963 -8.609 101 2HB LYS 13 1HB LYS 13 -16.014 -3.126 -7.925 102 1HG LYS 13 2HG LYS 13 -14.423 -1.489 -9.809 103 2HG LYS 13 1HG LYS 13 -15.193 -2.893 -10.542 104 1HD LYS 13 2HD LYS 13 -17.368 -2.192 -9.595 105 2HD LYS 13 1HD LYS 13 -16.596 -0.775 -8.885 106 1HE LYS 13 2HE LYS 13 -15.928 -0.015 -11.143 107 2HE LYS 13 1HE LYS 13 -16.728 -1.421 -11.845 108 1HZ LYS 13 1HZ LYS 13 -18.168 0.500 -11.922 109 2HZ LYS 13 2HZ LYS 13 -18.033 0.712 -10.243 110 3HZ LYS 13 3HZ LYS 13 -18.814 -0.661 -10.868 111 H ASP 14 H ASP 14 -15.907 -1.721 -5.663 112 HA ASP 14 HA ASP 14 -16.571 0.946 -6.643 113 1HB ASP 14 2HB ASP 14 -18.237 -0.638 -5.659 114 2HB ASP 14 1HB ASP 14 -17.474 -0.394 -4.087 115 H HIS 15 H HIS 15 -14.860 -0.285 -3.762 116 HA HIS 15 HA HIS 15 -14.659 2.307 -2.530 117 1HB HIS 15 2HB HIS 15 -13.505 1.253 -0.821 118 2HB HIS 15 1HB HIS 15 -14.417 -0.090 -1.504 119 HD1 HIS 15 1HD HIS 15 -11.251 0.358 -0.231 120 HD2 HIS 15 2HD HIS 15 -12.541 -1.048 -3.939 121 HE1 HIS 15 1HE HIS 15 -9.332 -0.991 -1.192 122 HE2 HIS 15 2HE HIS 15 -10.107 -1.851 -3.450 123 H LEU 16 H LEU 16 -12.402 0.490 -4.608 124 HA LEU 16 HA LEU 16 -10.033 1.784 -4.291 125 1HB LEU 16 2HB LEU 16 -9.675 1.665 -6.781 126 2HB LEU 16 1HB LEU 16 -10.220 0.166 -6.038 127 HG LEU 16 HG LEU 16 -12.610 0.952 -6.662 128 1HD1 LEU 16 1HD1 LEU 16 -11.033 3.132 -7.753 129 2HD1 LEU 16 2HD1 LEU 16 -12.785 2.962 -7.670 130 3HD1 LEU 16 3HD1 LEU 16 -11.902 2.307 -9.043 131 1HD2 LEU 16 1HD2 LEU 16 -12.437 -0.118 -8.817 132 2HD2 LEU 16 2HD2 LEU 16 -11.251 -0.888 -7.762 133 3HD2 LEU 16 3HD2 LEU 16 -10.732 0.306 -8.950 134 H LEU 17 H LEU 17 -12.839 3.318 -5.873 135 HA LEU 17 HA LEU 17 -11.287 5.657 -6.617 136 1HB LEU 17 2HB LEU 17 -14.092 4.773 -6.863 137 2HB LEU 17 1HB LEU 17 -13.889 6.519 -6.708 138 HG LEU 17 HG LEU 17 -12.155 4.985 -8.632 139 1HD1 LEU 17 1HD1 LEU 17 -14.546 4.362 -9.077 140 2HD1 LEU 17 2HD1 LEU 17 -13.808 5.280 -10.389 141 3HD1 LEU 17 3HD1 LEU 17 -14.913 6.076 -9.269 142 1HD2 LEU 17 1HD2 LEU 17 -11.697 7.377 -8.101 143 2HD2 LEU 17 2HD2 LEU 17 -13.322 7.787 -8.649 144 3HD2 LEU 17 3HD2 LEU 17 -12.142 7.146 -9.791 145 HA PRO 18 HA PRO 18 -13.562 8.012 -3.096 146 1HB PRO 18 2HB PRO 18 -15.023 6.501 -1.303 147 2HB PRO 18 1HB PRO 18 -15.713 7.293 -2.734 148 1HG PRO 18 2HG PRO 18 -14.865 4.462 -2.367 149 2HG PRO 18 1HG PRO 18 -16.306 5.107 -3.170 150 1HD PRO 18 2HD PRO 18 -14.176 4.261 -4.599 151 2HD PRO 18 1HD PRO 18 -15.142 5.664 -5.110 152 H LYS 19 H LYS 19 -12.844 4.707 -1.882 153 HA LYS 19 HA LYS 19 -11.781 5.393 0.603 154 1HB LYS 19 2HB LYS 19 -12.074 3.058 -0.494 155 2HB LYS 19 1HB LYS 19 -10.445 3.308 -1.119 156 1HG LYS 19 2HG LYS 19 -10.271 2.106 0.977 157 2HG LYS 19 1HG LYS 19 -9.671 3.743 1.230 158 1HD LYS 19 2HD LYS 19 -11.427 4.326 2.597 159 2HD LYS 19 1HD LYS 19 -12.582 3.320 1.724 160 1HE LYS 19 2HE LYS 19 -11.929 1.368 2.861 161 2HE LYS 19 1HE LYS 19 -10.389 2.066 3.367 162 1HZ LYS 19 1HZ LYS 19 -13.053 2.409 4.508 163 2HZ LYS 19 2HZ LYS 19 -12.027 3.764 4.525 164 3HZ LYS 19 3HZ LYS 19 -11.546 2.320 5.280 165 H GLN 20 H GLN 20 -9.791 4.914 -2.344 166 HA GLN 20 HA GLN 20 -7.423 6.036 -1.196 167 1HB GLN 20 2HB GLN 20 -8.348 5.580 -4.030 168 2HB GLN 20 1HB GLN 20 -6.802 6.356 -3.687 169 1HG GLN 20 2HG GLN 20 -6.765 3.805 -4.002 170 2HG GLN 20 1HG GLN 20 -5.964 4.438 -2.564 171 1HE2 GLN 20 1HE2 GLN 20 -6.972 4.047 -0.478 172 2HE2 GLN 20 2HE2 GLN 20 -8.255 2.951 -0.298 173 H ILE 21 H ILE 21 -9.701 7.503 -3.543 174 HA ILE 21 HA ILE 21 -8.634 10.045 -3.725 175 HB ILE 21 HB ILE 21 -11.497 9.111 -3.638 176 1HG1 ILE 21 2HG1 ILE 21 -10.103 8.600 -5.624 177 2HG1 ILE 21 1HG1 ILE 21 -11.414 9.706 -6.024 178 1HG2 ILE 21 1HG2 ILE 21 -10.470 11.943 -3.790 179 2HG2 ILE 21 2HG2 ILE 21 -11.775 11.299 -2.794 180 3HG2 ILE 21 3HG2 ILE 21 -12.002 11.484 -4.533 181 1HD1 ILE 21 1HD1 ILE 21 -8.484 10.179 -5.994 182 2HD1 ILE 21 2HD1 ILE 21 -9.471 11.502 -5.383 183 3HD1 ILE 21 3HD1 ILE 21 -9.725 10.893 -7.016 184 H LYS 22 H LYS 22 -10.551 8.795 -0.996 185 HA LYS 22 HA LYS 22 -10.720 11.351 0.324 186 1HB LYS 22 2HB LYS 22 -12.212 9.380 0.783 187 2HB LYS 22 1HB LYS 22 -10.854 8.611 1.603 188 1HG LYS 22 2HG LYS 22 -10.788 10.286 3.292 189 2HG LYS 22 1HG LYS 22 -11.828 11.369 2.366 190 1HD LYS 22 2HD LYS 22 -13.710 9.812 2.617 191 2HD LYS 22 1HD LYS 22 -12.677 8.686 3.500 192 1HE LYS 22 2HE LYS 22 -12.251 10.572 5.159 193 2HE LYS 22 1HE LYS 22 -13.551 11.453 4.357 194 1HZ LYS 22 1HZ LYS 22 -13.982 9.837 6.389 195 2HZ LYS 22 2HZ LYS 22 -14.100 8.698 5.134 196 3HZ LYS 22 3HZ LYS 22 -15.120 10.057 5.151 197 H GLU 23 H GLU 23 -9.083 8.591 1.833 198 HA GLU 23 HA GLU 23 -7.364 9.983 3.483 199 1HB GLU 23 2HB GLU 23 -6.439 7.564 1.914 200 2HB GLU 23 1HB GLU 23 -5.948 8.049 3.537 201 1HG GLU 23 2HG GLU 23 -8.692 7.080 2.686 202 2HG GLU 23 1HG GLU 23 -7.552 6.240 3.737 203 H HIS 24 H HIS 24 -6.922 9.322 0.047 204 HA HIS 24 HA HIS 24 -4.312 10.657 -0.030 205 1HB HIS 24 2HB HIS 24 -6.077 9.854 -2.360 206 2HB HIS 24 1HB HIS 24 -4.339 10.154 -2.388 207 HD1 HIS 24 1HD HIS 24 -6.177 8.121 0.241 208 HD2 HIS 24 2HD HIS 24 -3.448 7.533 -2.854 209 HE1 HIS 24 1HE HIS 24 -5.378 5.723 0.431 210 HE2 HIS 24 2HE HIS 24 -3.715 5.358 -1.448 211 H GLY 25 H GLY 25 -7.658 11.383 -0.905 212 1HA GLY 25 2HA GLY 25 -7.521 13.721 -2.336 213 2HA GLY 25 1HA GLY 25 -8.698 13.506 -1.039 214 H LEU 26 H LEU 26 -6.806 13.362 1.118 215 HA LEU 26 HA LEU 26 -6.651 15.920 2.076 216 1HB LEU 26 2HB LEU 26 -4.338 13.971 2.311 217 2HB LEU 26 1HB LEU 26 -4.735 15.274 3.432 218 HG LEU 26 HG LEU 26 -6.524 12.901 2.819 219 1HD1 LEU 26 1HD1 LEU 26 -5.964 12.240 5.162 220 2HD1 LEU 26 2HD1 LEU 26 -4.783 13.549 5.217 221 3HD1 LEU 26 3HD1 LEU 26 -4.563 12.207 4.092 222 1HD2 LEU 26 1HD2 LEU 26 -6.782 15.349 4.559 223 2HD2 LEU 26 2HD2 LEU 26 -7.608 13.857 5.005 224 3HD2 LEU 26 3HD2 LEU 26 -7.969 14.638 3.467 225 H LYS 27 H LYS 27 -4.363 14.495 -0.247 226 HA LYS 27 HA LYS 27 -3.030 17.147 -0.529 227 1HB LYS 27 2HB LYS 27 -2.304 14.317 -1.215 228 2HB LYS 27 1HB LYS 27 -1.613 15.612 -2.194 229 1HG LYS 27 2HG LYS 27 -0.122 15.063 -0.315 230 2HG LYS 27 1HG LYS 27 -0.758 16.698 -0.140 231 1HD LYS 27 2HD LYS 27 -2.439 15.920 1.446 232 2HD LYS 27 1HD LYS 27 -1.926 14.249 1.213 233 1HE LYS 27 2HE LYS 27 -0.159 16.466 2.287 234 2HE LYS 27 1HE LYS 27 -0.962 15.249 3.279 235 1HZ LYS 27 1HZ LYS 27 0.505 14.109 1.102 236 2HZ LYS 27 2HZ LYS 27 0.561 13.737 2.759 237 3HZ LYS 27 3HZ LYS 27 1.498 15.012 2.140 238 H LYS 28 H LYS 28 -2.569 17.736 -2.927 239 HA LYS 28 HA LYS 28 -4.924 18.245 -4.319 240 1HB LYS 28 2HB LYS 28 -2.905 19.333 -5.030 241 2HB LYS 28 1HB LYS 28 -2.124 17.791 -5.382 242 1HG LYS 28 2HG LYS 28 -3.430 17.421 -7.302 243 2HG LYS 28 1HG LYS 28 -4.671 18.566 -6.795 244 1HD LYS 28 2HD LYS 28 -3.222 19.449 -8.636 245 2HD LYS 28 1HD LYS 28 -3.167 20.442 -7.179 246 1HE LYS 28 2HE LYS 28 -1.045 19.557 -6.538 247 2HE LYS 28 1HE LYS 28 -1.153 18.252 -7.719 248 1HZ LYS 28 1HZ LYS 28 0.166 20.515 -8.153 249 2HZ LYS 28 2HZ LYS 28 -1.353 20.946 -8.781 250 3HZ LYS 28 3HZ LYS 28 -0.530 19.592 -9.394 251 H SER 29 H SER 29 -5.891 17.222 -6.225 252 HA SER 29 HA SER 29 -6.526 14.523 -5.980 253 1HB SER 29 2HB SER 29 -7.200 14.585 -8.344 254 2HB SER 29 1HB SER 29 -7.667 16.080 -7.538 255 HG SER 29 HG SER 29 -5.206 16.405 -8.418 256 H ASN 30 H ASN 30 -4.676 13.274 -5.468 257 HA ASN 30 HA ASN 30 -2.675 12.964 -7.670 258 1HB ASN 30 2HB ASN 30 -2.057 13.699 -5.202 259 2HB ASN 30 1HB ASN 30 -2.187 11.971 -4.878 260 1HD2 ASN 30 1HD2 ASN 30 0.069 11.510 -4.666 261 2HD2 ASN 30 2HD2 ASN 30 1.177 11.706 -5.937 262 H LEU 31 H LEU 31 -4.746 11.565 -8.378 263 HA LEU 31 HA LEU 31 -3.929 8.790 -7.989 264 1HB LEU 31 2HB LEU 31 -5.508 9.467 -6.024 265 2HB LEU 31 1HB LEU 31 -6.779 9.410 -7.244 266 HG LEU 31 HG LEU 31 -5.690 7.063 -7.819 267 1HD1 LEU 31 1HD1 LEU 31 -4.887 7.537 -4.932 268 2HD1 LEU 31 2HD1 LEU 31 -3.803 7.229 -6.287 269 3HD1 LEU 31 3HD1 LEU 31 -4.887 5.960 -5.719 270 1HD2 LEU 31 1HD2 LEU 31 -7.208 6.046 -6.037 271 2HD2 LEU 31 2HD2 LEU 31 -7.972 7.225 -7.103 272 3HD2 LEU 31 3HD2 LEU 31 -7.495 7.691 -5.470 273 H GLN 32 H GLN 32 -4.148 7.894 -9.979 274 HA GLN 32 HA GLN 32 -6.559 8.521 -11.589 275 1HB GLN 32 2HB GLN 32 -3.756 9.278 -12.274 276 2HB GLN 32 1HB GLN 32 -4.723 8.597 -13.581 277 1HG GLN 32 2HG GLN 32 -5.677 10.873 -11.827 278 2HG GLN 32 1HG GLN 32 -4.854 11.117 -13.366 279 1HE2 GLN 32 1HE2 GLN 32 -5.919 9.874 -15.287 280 2HE2 GLN 32 2HE2 GLN 32 -7.615 9.805 -15.300 281 H LEU 33 H LEU 33 -6.613 6.226 -10.511 282 HA LEU 33 HA LEU 33 -5.134 4.236 -12.148 283 1HB LEU 33 2HB LEU 33 -5.999 2.596 -10.483 284 2HB LEU 33 1HB LEU 33 -5.063 3.887 -9.735 285 HG LEU 33 HG LEU 33 -7.319 5.092 -9.393 286 1HD1 LEU 33 1HD1 LEU 33 -9.059 3.025 -9.045 287 2HD1 LEU 33 2HD1 LEU 33 -8.195 2.468 -10.477 288 3HD1 LEU 33 3HD1 LEU 33 -9.016 4.028 -10.492 289 1HD2 LEU 33 1HD2 LEU 33 -6.121 4.196 -7.511 290 2HD2 LEU 33 2HD2 LEU 33 -6.568 2.544 -7.939 291 3HD2 LEU 33 3HD2 LEU 33 -7.796 3.665 -7.349 292 H ARG 34 H ARG 34 -6.498 2.260 -12.749 293 HA ARG 34 HA ARG 34 -9.268 3.050 -13.552 294 1HB ARG 34 2HB ARG 34 -7.065 1.907 -15.281 295 2HB ARG 34 1HB ARG 34 -8.766 1.745 -15.718 296 1HG ARG 34 2HG ARG 34 -9.006 4.223 -15.571 297 2HG ARG 34 1HG ARG 34 -7.277 4.345 -15.247 298 1HD ARG 34 2HD ARG 34 -6.699 3.564 -17.402 299 2HD ARG 34 1HD ARG 34 -8.311 2.911 -17.692 300 HE ARG 34 HE ARG 34 -8.554 5.720 -17.313 301 1HH1 ARG 34 1HH2 ARG 34 -7.210 3.387 -19.469 302 2HH1 ARG 34 2HH2 ARG 34 -7.369 4.394 -20.868 303 1HH2 ARG 34 1HH1 ARG 34 -8.769 7.046 -19.130 304 2HH2 ARG 34 2HH1 ARG 34 -8.251 6.465 -20.677 305 H ASP 35 H ASP 35 -10.672 1.175 -13.932 306 HA ASP 35 HA ASP 35 -10.609 -0.800 -11.973 307 1HB ASP 35 2HB ASP 35 -11.739 -0.952 -14.782 308 2HB ASP 35 1HB ASP 35 -12.064 -2.153 -13.531 309 H GLN 36 H GLN 36 -9.368 -1.110 -15.316 310 HA GLN 36 HA GLN 36 -8.399 -3.750 -15.139 311 1HB GLN 36 2HB GLN 36 -6.793 -3.098 -16.909 312 2HB GLN 36 1HB GLN 36 -8.405 -2.460 -17.240 313 1HG GLN 36 2HG GLN 36 -7.643 -0.322 -16.053 314 2HG GLN 36 1HG GLN 36 -6.006 -0.973 -16.159 315 1HE2 GLN 36 1HE2 GLN 36 -5.988 -2.150 -18.692 316 2HE2 GLN 36 2HE2 GLN 36 -6.263 -0.969 -19.881 317 H ALA 37 H ALA 37 -6.884 -0.711 -14.092 318 HA ALA 37 HA ALA 37 -4.326 -1.689 -13.423 319 1HB ALA 37 1HB ALA 37 -5.813 0.302 -11.707 320 2HB ALA 37 2HB ALA 37 -5.219 0.725 -13.311 321 3HB ALA 37 3HB ALA 37 -4.085 0.234 -12.054 322 H ILE 38 H ILE 38 -6.752 -1.016 -10.895 323 HA ILE 38 HA ILE 38 -5.716 -2.512 -8.833 324 HB ILE 38 HB ILE 38 -8.603 -2.180 -9.677 325 1HG1 ILE 38 2HG1 ILE 38 -6.965 -0.277 -8.806 326 2HG1 ILE 38 1HG1 ILE 38 -8.633 -0.350 -8.244 327 1HG2 ILE 38 1HG2 ILE 38 -8.709 -4.131 -8.354 328 2HG2 ILE 38 2HG2 ILE 38 -9.027 -2.830 -7.207 329 3HG2 ILE 38 3HG2 ILE 38 -7.430 -3.576 -7.273 330 1HD1 ILE 38 1HD1 ILE 38 -6.777 -0.083 -6.459 331 2HD1 ILE 38 2HD1 ILE 38 -6.434 -1.786 -6.760 332 3HD1 ILE 38 3HD1 ILE 38 -8.022 -1.297 -6.170 333 H LEU 39 H LEU 39 -7.675 -3.793 -11.526 334 HA LEU 39 HA LEU 39 -7.895 -6.464 -10.647 335 1HB LEU 39 2HB LEU 39 -8.051 -5.042 -13.221 336 2HB LEU 39 1HB LEU 39 -7.535 -6.719 -13.383 337 HG LEU 39 HG LEU 39 -9.917 -6.011 -11.671 338 1HD1 LEU 39 1HD1 LEU 39 -9.820 -6.380 -14.673 339 2HD1 LEU 39 2HD1 LEU 39 -10.488 -5.017 -13.777 340 3HD1 LEU 39 3HD1 LEU 39 -11.295 -6.583 -13.730 341 1HD2 LEU 39 1HD2 LEU 39 -10.488 -8.299 -11.974 342 2HD2 LEU 39 2HD2 LEU 39 -8.744 -8.312 -11.723 343 3HD2 LEU 39 3HD2 LEU 39 -9.400 -8.472 -13.351 344 H ASP 40 H ASP 40 -5.309 -4.972 -12.588 345 HA ASP 40 HA ASP 40 -3.687 -7.315 -12.779 346 1HB ASP 40 2HB ASP 40 -2.950 -4.375 -12.832 347 2HB ASP 40 1HB ASP 40 -1.821 -5.676 -13.210 348 H ILE 41 H ILE 41 -3.820 -4.722 -10.352 349 HA ILE 41 HA ILE 41 -1.545 -5.444 -8.837 350 HB ILE 41 HB ILE 41 -4.169 -4.445 -7.699 351 1HG1 ILE 41 2HG1 ILE 41 -1.894 -2.957 -9.048 352 2HG1 ILE 41 1HG1 ILE 41 -3.568 -3.043 -9.595 353 1HG2 ILE 41 1HG2 ILE 41 -2.315 -5.186 -6.132 354 2HG2 ILE 41 2HG2 ILE 41 -2.794 -3.498 -5.961 355 3HG2 ILE 41 3HG2 ILE 41 -1.315 -3.911 -6.829 356 1HD1 ILE 41 1HD1 ILE 41 -2.412 -1.534 -7.274 357 2HD1 ILE 41 2HD1 ILE 41 -4.095 -2.056 -7.208 358 3HD1 ILE 41 3HD1 ILE 41 -3.553 -0.985 -8.501 359 H ILE 42 H ILE 42 -4.913 -6.310 -7.947 360 HA ILE 42 HA ILE 42 -4.165 -8.292 -6.070 361 HB ILE 42 HB ILE 42 -6.483 -9.045 -6.228 362 1HG1 ILE 42 2HG1 ILE 42 -6.459 -7.417 -8.782 363 2HG1 ILE 42 1HG1 ILE 42 -6.821 -9.133 -8.607 364 1HG2 ILE 42 1HG2 ILE 42 -5.839 -6.799 -5.183 365 2HG2 ILE 42 2HG2 ILE 42 -7.535 -6.992 -5.624 366 3HG2 ILE 42 3HG2 ILE 42 -6.456 -6.054 -6.657 367 1HD1 ILE 42 1HD1 ILE 42 -8.943 -8.087 -8.819 368 2HD1 ILE 42 2HD1 ILE 42 -8.494 -6.779 -7.725 369 3HD1 ILE 42 3HD1 ILE 42 -8.765 -8.403 -7.092 370 H ARG 43 H ARG 43 -4.915 -8.592 -9.545 371 HA ARG 43 HA ARG 43 -4.818 -11.417 -9.719 372 1HB ARG 43 2HB ARG 43 -5.479 -9.800 -11.559 373 2HB ARG 43 1HB ARG 43 -3.759 -9.517 -11.825 374 1HG ARG 43 2HG ARG 43 -3.632 -12.144 -11.957 375 2HG ARG 43 1HG ARG 43 -5.358 -12.020 -12.291 376 1HD ARG 43 2HD ARG 43 -3.113 -10.706 -13.847 377 2HD ARG 43 1HD ARG 43 -4.163 -12.009 -14.404 378 HE ARG 43 HE ARG 43 -5.746 -9.736 -13.636 379 1HH1 ARG 43 1HH2 ARG 43 -3.580 -10.947 -16.031 380 2HH1 ARG 43 2HH2 ARG 43 -4.252 -9.992 -17.311 381 1HH2 ARG 43 1HH1 ARG 43 -6.633 -8.481 -15.295 382 2HH2 ARG 43 2HH1 ARG 43 -5.980 -8.596 -16.895 383 H TYR 44 H TYR 44 -2.182 -9.039 -9.795 384 HA TYR 44 HA TYR 44 -0.084 -10.851 -10.465 385 1HB TYR 44 2HB TYR 44 -0.237 -8.181 -9.106 386 2HB TYR 44 1HB TYR 44 1.283 -9.072 -9.047 387 HD1 TYR 44 1HD TYR 44 2.639 -7.766 -10.497 388 HD2 TYR 44 2HD TYR 44 -1.218 -9.124 -11.812 389 HE1 TYR 44 1HE TYR 44 3.167 -7.038 -12.805 390 HE2 TYR 44 2HE TYR 44 -0.691 -8.396 -14.116 391 HH TYR 44 HH TYR 44 0.976 -7.728 -15.496 392 H TYR 45 H TYR 45 -1.475 -9.927 -7.331 393 HA TYR 45 HA TYR 45 -0.473 -12.429 -6.174 394 1HB TYR 45 2HB TYR 45 0.889 -11.427 -4.458 395 2HB TYR 45 1HB TYR 45 1.441 -10.784 -6.002 396 HD1 TYR 45 1HD TYR 45 0.237 -8.570 -6.800 397 HD2 TYR 45 2HD TYR 45 0.387 -9.934 -2.730 398 HE1 TYR 45 1HE TYR 45 -0.229 -6.267 -6.011 399 HE2 TYR 45 2HE TYR 45 -0.079 -7.632 -1.941 400 HH TYR 45 HH TYR 45 0.307 -5.224 -2.968 401 H THR 46 H THR 46 -3.022 -12.111 -6.395 402 HA THR 46 HA THR 46 -4.440 -10.477 -4.559 403 HB THR 46 HB THR 46 -5.202 -12.144 -6.509 404 HG1 THR 46 1HG THR 46 -6.957 -11.163 -5.981 405 1HG2 THR 46 1HG2 THR 46 -5.994 -13.709 -4.054 406 2HG2 THR 46 2HG2 THR 46 -4.556 -14.114 -4.993 407 3HG2 THR 46 3HG2 THR 46 -6.148 -14.175 -5.748 408 H ARG 47 H ARG 47 -2.422 -13.163 -3.999 409 HA ARG 47 HA ARG 47 -3.301 -14.642 -1.917 410 1HB ARG 47 2HB ARG 47 -1.043 -14.473 -0.860 411 2HB ARG 47 1HB ARG 47 -0.971 -14.738 -2.600 412 1HG ARG 47 2HG ARG 47 0.267 -12.868 -2.820 413 2HG ARG 47 1HG ARG 47 -1.077 -11.915 -2.198 414 1HD ARG 47 2HD ARG 47 1.093 -13.253 -0.556 415 2HD ARG 47 1HD ARG 47 0.892 -11.521 -0.816 416 HE ARG 47 HE ARG 47 -1.434 -12.834 0.396 417 1HH1 ARG 47 1HH2 ARG 47 1.584 -11.220 0.817 418 2HH1 ARG 47 2HH2 ARG 47 1.227 -10.687 2.426 419 1HH2 ARG 47 1HH1 ARG 47 -1.916 -12.149 2.497 420 2HH2 ARG 47 2HH1 ARG 47 -0.754 -11.212 3.376 421 H GLU 48 H GLU 48 -4.295 -14.294 -0.004 422 HA GLU 48 HA GLU 48 -3.573 -12.192 1.819 423 1HB GLU 48 2HB GLU 48 -5.697 -10.892 1.688 424 2HB GLU 48 1HB GLU 48 -4.731 -10.749 0.220 425 1HG GLU 48 2HG GLU 48 -6.897 -11.165 -0.604 426 2HG GLU 48 1HG GLU 48 -6.141 -12.757 -0.644 427 H ALA 49 H ALA 49 -5.574 -12.000 3.506 428 HA ALA 49 HA ALA 49 -6.971 -14.604 3.746 429 1HB ALA 49 1HB ALA 49 -4.960 -13.536 5.741 430 2HB ALA 49 2HB ALA 49 -4.956 -15.107 4.939 431 3HB ALA 49 3HB ALA 49 -6.172 -14.746 6.164 432 H GLY 50 H GLY 50 -7.992 -12.004 3.210 433 1HA GLY 50 2HA GLY 50 -10.238 -11.730 4.698 434 2HA GLY 50 1HA GLY 50 -9.054 -10.949 5.748 435 H VAL 51 H VAL 51 -11.385 -10.012 3.861 436 HA VAL 51 HA VAL 51 -10.334 -8.418 1.786 437 HB VAL 51 HB VAL 51 -12.337 -6.918 2.241 438 1HG1 VAL 51 1HG1 VAL 51 -13.985 -8.787 1.728 439 2HG1 VAL 51 2HG1 VAL 51 -12.649 -9.915 1.956 440 3HG1 VAL 51 3HG1 VAL 51 -12.577 -8.714 0.669 441 1HG2 VAL 51 1HG2 VAL 51 -12.739 -8.972 4.441 442 2HG2 VAL 51 2HG2 VAL 51 -13.983 -7.853 3.888 443 3HG2 VAL 51 3HG2 VAL 51 -12.519 -7.235 4.650 444 H ARG 52 H ARG 52 -10.663 -7.686 5.251 445 HA ARG 52 HA ARG 52 -9.976 -4.991 5.301 446 1HB ARG 52 2HB ARG 52 -10.484 -6.353 7.318 447 2HB ARG 52 1HB ARG 52 -8.906 -7.125 7.177 448 1HG ARG 52 2HG ARG 52 -8.827 -4.164 7.148 449 2HG ARG 52 1HG ARG 52 -9.394 -4.865 8.662 450 1HD ARG 52 2HD ARG 52 -6.897 -5.891 7.310 451 2HD ARG 52 1HD ARG 52 -6.847 -4.502 8.395 452 HE ARG 52 HE ARG 52 -7.221 -7.279 9.191 453 1HH1 ARG 52 1HH2 ARG 52 -7.839 -3.961 9.888 454 2HH1 ARG 52 2HH2 ARG 52 -8.014 -4.213 11.593 455 1HH2 ARG 52 1HH1 ARG 52 -7.447 -7.629 11.414 456 2HH2 ARG 52 2HH1 ARG 52 -7.791 -6.289 12.457 457 H SER 53 H SER 53 -7.688 -7.744 5.233 458 HA SER 53 HA SER 53 -5.349 -6.093 5.046 459 1HB SER 53 2HB SER 53 -4.263 -8.196 4.180 460 2HB SER 53 1HB SER 53 -5.094 -8.387 5.721 461 HG SER 53 HG SER 53 -6.951 -8.888 4.094 462 H LEU 54 H LEU 54 -7.357 -7.694 2.579 463 HA LEU 54 HA LEU 54 -5.847 -7.052 0.294 464 1HB LEU 54 2HB LEU 54 -8.166 -8.295 0.566 465 2HB LEU 54 1HB LEU 54 -8.837 -6.695 0.249 466 HG LEU 54 HG LEU 54 -6.837 -8.124 -1.530 467 1HD1 LEU 54 1HD1 LEU 54 -8.688 -8.503 -3.038 468 2HD1 LEU 54 2HD1 LEU 54 -9.778 -7.576 -2.008 469 3HD1 LEU 54 3HD1 LEU 54 -9.149 -9.128 -1.454 470 1HD2 LEU 54 1HD2 LEU 54 -8.240 -5.453 -1.647 471 2HD2 LEU 54 2HD2 LEU 54 -7.690 -6.252 -3.120 472 3HD2 LEU 54 3HD2 LEU 54 -6.527 -5.807 -1.872 473 H GLU 55 H GLU 55 -8.411 -5.108 1.836 474 HA GLU 55 HA GLU 55 -8.134 -2.784 0.251 475 1HB GLU 55 2HB GLU 55 -9.979 -3.042 1.834 476 2HB GLU 55 1HB GLU 55 -8.849 -3.045 3.189 477 1HG GLU 55 2HG GLU 55 -8.223 -0.757 2.773 478 2HG GLU 55 1HG GLU 55 -9.106 -0.736 1.246 479 H ARG 56 H ARG 56 -6.338 -3.851 3.134 480 HA ARG 56 HA ARG 56 -4.819 -1.453 3.481 481 1HB ARG 56 2HB ARG 56 -4.979 -3.429 5.091 482 2HB ARG 56 1HB ARG 56 -3.812 -4.250 4.054 483 1HG ARG 56 2HG ARG 56 -2.369 -2.120 4.316 484 2HG ARG 56 1HG ARG 56 -3.435 -1.725 5.665 485 1HD ARG 56 2HD ARG 56 -2.905 -3.911 6.708 486 2HD ARG 56 1HD ARG 56 -1.809 -4.269 5.372 487 HE ARG 56 HE ARG 56 -1.185 -1.749 6.693 488 1HH1 ARG 56 1HH2 ARG 56 -0.856 -5.180 6.712 489 2HH1 ARG 56 2HH2 ARG 56 0.630 -5.165 7.603 490 1HH2 ARG 56 1HH1 ARG 56 0.753 -1.709 7.854 491 2HH2 ARG 56 2HH1 ARG 56 1.541 -3.200 8.249 492 H GLN 57 H GLN 57 -4.269 -4.333 1.472 493 HA GLN 57 HA GLN 57 -1.639 -3.630 0.601 494 1HB GLN 57 2HB GLN 57 -3.830 -5.265 -0.703 495 2HB GLN 57 1HB GLN 57 -2.214 -5.101 -1.391 496 1HG GLN 57 2HG GLN 57 -1.214 -6.058 0.615 497 2HG GLN 57 1HG GLN 57 -2.790 -6.120 1.406 498 1HE2 GLN 57 1HE2 GLN 57 -2.886 -6.821 -1.978 499 2HE2 GLN 57 2HE2 GLN 57 -3.005 -8.510 -1.845 500 H LEU 58 H LEU 58 -4.842 -2.964 -0.847 501 HA LEU 58 HA LEU 58 -3.787 -1.471 -3.070 502 1HB LEU 58 2HB LEU 58 -6.500 -1.032 -1.803 503 2HB LEU 58 1HB LEU 58 -6.041 -0.803 -3.492 504 HG LEU 58 HG LEU 58 -6.076 -3.462 -2.039 505 1HD1 LEU 58 1HD1 LEU 58 -7.956 -3.888 -3.733 506 2HD1 LEU 58 2HD1 LEU 58 -7.987 -2.141 -3.972 507 3HD1 LEU 58 3HD1 LEU 58 -8.343 -2.820 -2.385 508 1HD2 LEU 58 1HD2 LEU 58 -5.880 -4.258 -4.495 509 2HD2 LEU 58 2HD2 LEU 58 -4.427 -3.609 -3.735 510 3HD2 LEU 58 3HD2 LEU 58 -5.362 -2.609 -4.847 511 H ALA 59 H ALA 59 -5.082 -0.457 0.102 512 HA ALA 59 HA ALA 59 -4.733 2.340 -0.264 513 1HB ALA 59 1HB ALA 59 -4.412 0.707 2.279 514 2HB ALA 59 2HB ALA 59 -5.928 1.378 1.676 515 3HB ALA 59 3HB ALA 59 -4.637 2.455 2.209 516 H ALA 60 H ALA 60 -2.499 -0.211 0.719 517 HA ALA 60 HA ALA 60 -0.299 1.470 1.436 518 1HB ALA 60 1HB ALA 60 1.033 -0.511 1.356 519 2HB ALA 60 2HB ALA 60 -0.071 -1.291 0.223 520 3HB ALA 60 3HB ALA 60 -0.566 -1.023 1.895 521 H ILE 61 H ILE 61 -0.763 -0.378 -1.625 522 HA ILE 61 HA ILE 61 1.435 0.848 -2.953 523 HB ILE 61 HB ILE 61 -0.011 -1.218 -3.640 524 1HG1 ILE 61 2HG1 ILE 61 1.069 0.835 -5.589 525 2HG1 ILE 61 1HG1 ILE 61 1.915 -0.565 -4.932 526 1HG2 ILE 61 1HG2 ILE 61 -1.810 -0.823 -5.144 527 2HG2 ILE 61 2HG2 ILE 61 -1.421 0.891 -5.283 528 3HG2 ILE 61 3HG2 ILE 61 -2.100 0.258 -3.786 529 1HD1 ILE 61 1HD1 ILE 61 -0.070 -0.416 -7.133 530 2HD1 ILE 61 2HD1 ILE 61 -0.246 -1.792 -6.043 531 3HD1 ILE 61 3HD1 ILE 61 1.272 -1.536 -6.901 532 H CYS 62 H CYS 62 -1.994 1.777 -2.821 533 HA CYS 62 HA CYS 62 -1.927 3.892 -4.689 534 1HB CYS 62 2HB CYS 62 -3.507 3.708 -2.107 535 2HB CYS 62 1HB CYS 62 -3.846 4.825 -3.431 536 HG CYS 62 HG CYS 62 -5.238 2.477 -3.567 537 H ARG 63 H ARG 63 -1.841 4.402 -1.135 538 HA ARG 63 HA ARG 63 -0.879 7.060 -1.324 539 1HB ARG 63 2HB ARG 63 -0.362 6.914 1.010 540 2HB ARG 63 1HB ARG 63 -1.829 5.976 0.732 541 1HG ARG 63 2HG ARG 63 -0.232 3.951 0.447 542 2HG ARG 63 1HG ARG 63 0.974 4.975 1.225 543 1HD ARG 63 2HD ARG 63 -1.590 3.886 2.355 544 2HD ARG 63 1HD ARG 63 0.028 3.870 3.057 545 HE ARG 63 HE ARG 63 -1.029 6.566 2.729 546 1HH1 ARG 63 1HH2 ARG 63 -0.929 3.714 4.666 547 2HH1 ARG 63 2HH2 ARG 63 -1.293 4.543 6.142 548 1HH2 ARG 63 1HH1 ARG 63 -1.509 7.665 4.648 549 2HH2 ARG 63 2HH1 ARG 63 -1.623 6.778 6.132 550 H LYS 64 H LYS 64 0.952 4.005 -0.940 551 HA LYS 64 HA LYS 64 3.544 4.974 -0.660 552 1HB LYS 64 2HB LYS 64 2.986 2.552 -0.884 553 2HB LYS 64 1HB LYS 64 2.691 2.796 -2.603 554 1HG LYS 64 2HG LYS 64 4.891 2.454 -2.989 555 2HG LYS 64 1HG LYS 64 5.242 3.927 -2.091 556 1HD LYS 64 2HD LYS 64 6.497 2.264 -0.977 557 2HD LYS 64 1HD LYS 64 5.064 2.458 0.029 558 1HE LYS 64 2HE LYS 64 4.031 0.498 -0.992 559 2HE LYS 64 1HE LYS 64 5.376 0.342 -2.122 560 1HZ LYS 64 1HZ LYS 64 5.486 0.054 0.829 561 2HZ LYS 64 2HZ LYS 64 6.852 0.065 -0.182 562 3HZ LYS 64 3HZ LYS 64 5.698 -1.174 -0.323 563 H ALA 65 H ALA 65 1.516 4.896 -3.539 564 HA ALA 65 HA ALA 65 3.507 6.067 -5.297 565 1HB ALA 65 1HB ALA 65 1.417 4.721 -5.978 566 2HB ALA 65 2HB ALA 65 1.757 6.178 -6.910 567 3HB ALA 65 3HB ALA 65 0.507 6.199 -5.667 568 H ALA 66 H ALA 66 0.837 7.288 -3.276 569 HA ALA 66 HA ALA 66 0.878 9.986 -4.179 570 1HB ALA 66 1HB ALA 66 0.374 9.034 -1.344 571 2HB ALA 66 2HB ALA 66 -0.831 8.991 -2.632 572 3HB ALA 66 3HB ALA 66 -0.195 10.537 -2.071 573 H LYS 67 H LYS 67 2.851 8.325 -1.736 574 HA LYS 67 HA LYS 67 4.215 10.645 -0.771 575 1HB LYS 67 2HB LYS 67 4.906 7.709 -0.838 576 2HB LYS 67 1HB LYS 67 6.034 8.899 -0.187 577 1HG LYS 67 2HG LYS 67 4.328 9.668 1.409 578 2HG LYS 67 1HG LYS 67 3.172 8.515 0.743 579 1HD LYS 67 2HD LYS 67 3.977 7.297 2.552 580 2HD LYS 67 1HD LYS 67 5.088 6.763 1.291 581 1HE LYS 67 2HE LYS 67 6.429 7.346 3.200 582 2HE LYS 67 1HE LYS 67 6.643 8.635 2.017 583 1HZ LYS 67 1HZ LYS 67 5.825 10.092 3.447 584 2HZ LYS 67 2HZ LYS 67 5.754 8.873 4.629 585 3HZ LYS 67 3HZ LYS 67 4.405 9.185 3.644 586 H ALA 68 H ALA 68 4.905 8.443 -3.460 587 HA ALA 68 HA ALA 68 7.480 9.347 -4.147 588 1HB ALA 68 1HB ALA 68 6.735 8.773 -6.550 589 2HB ALA 68 2HB ALA 68 5.188 8.332 -5.830 590 3HB ALA 68 3HB ALA 68 6.657 7.481 -5.353 591 H ILE 69 H ILE 69 4.684 11.201 -3.978 592 HA ILE 69 HA ILE 69 4.751 12.919 -6.181 593 HB ILE 69 HB ILE 69 3.145 13.042 -4.232 594 1HG1 ILE 69 2HG1 ILE 69 3.261 15.683 -4.192 595 2HG1 ILE 69 1HG1 ILE 69 4.510 15.451 -5.415 596 1HG2 ILE 69 1HG2 ILE 69 3.769 14.208 -2.240 597 2HG2 ILE 69 2HG2 ILE 69 5.305 14.719 -2.938 598 3HG2 ILE 69 3HG2 ILE 69 5.043 13.024 -2.529 599 1HD1 ILE 69 1HD1 ILE 69 1.715 14.281 -5.568 600 2HD1 ILE 69 2HD1 ILE 69 2.957 14.187 -6.815 601 3HD1 ILE 69 3HD1 ILE 69 2.236 15.743 -6.404 602 H VAL 70 H VAL 70 7.020 12.680 -3.518 603 HA VAL 70 HA VAL 70 8.369 15.148 -3.770 604 HB VAL 70 HB VAL 70 9.571 12.430 -3.177 605 1HG1 VAL 70 1HG1 VAL 70 11.197 13.900 -1.860 606 2HG1 VAL 70 2HG1 VAL 70 10.533 15.266 -2.758 607 3HG1 VAL 70 3HG1 VAL 70 11.350 13.959 -3.617 608 1HG2 VAL 70 1HG2 VAL 70 7.626 13.128 -1.729 609 2HG2 VAL 70 2HG2 VAL 70 8.555 14.553 -1.266 610 3HG2 VAL 70 3HG2 VAL 70 9.143 12.944 -0.848 611 H ALA 71 H ALA 71 8.092 12.610 -6.031 612 HA ALA 71 HA ALA 71 10.611 12.852 -7.385 613 1HB ALA 71 1HB ALA 71 7.872 11.985 -8.344 614 2HB ALA 71 2HB ALA 71 9.216 10.948 -7.867 615 3HB ALA 71 3HB ALA 71 9.318 11.901 -9.348 616 H GLU 72 H GLU 72 10.691 15.303 -7.184 617 HA GLU 72 HA GLU 72 10.612 17.404 -8.223 618 1HB GLU 72 2HB GLU 72 11.248 15.812 -10.186 619 2HB GLU 72 1HB GLU 72 9.575 16.025 -10.700 620 1HG GLU 72 2HG GLU 72 9.869 18.437 -10.828 621 2HG GLU 72 1HG GLU 72 11.499 18.308 -10.166 622 H GLU 73 H GLU 73 8.254 16.381 -6.820 623 HA GLU 73 HA GLU 73 5.975 16.883 -6.555 624 1HB GLU 73 2HB GLU 73 6.831 19.280 -8.207 625 2HB GLU 73 1HB GLU 73 5.332 19.164 -7.287 626 1HG GLU 73 2HG GLU 73 6.644 18.846 -5.209 627 2HG GLU 73 1HG GLU 73 8.134 19.009 -6.138 628 H ARG 74 H ARG 74 5.158 15.131 -7.831 629 HA ARG 74 HA ARG 74 4.745 15.562 -10.720 630 1HB ARG 74 2HB ARG 74 3.818 13.284 -8.942 631 2HB ARG 74 1HB ARG 74 3.812 13.298 -10.705 632 1HG ARG 74 2HG ARG 74 6.383 13.798 -9.219 633 2HG ARG 74 1HG ARG 74 5.804 12.147 -9.435 634 1HD ARG 74 2HD ARG 74 6.310 14.150 -11.657 635 2HD ARG 74 1HD ARG 74 7.321 12.759 -11.266 636 HE ARG 74 HE ARG 74 4.562 12.003 -11.798 637 1HH1 ARG 74 1HH2 ARG 74 7.631 12.826 -13.139 638 2HH1 ARG 74 2HH2 ARG 74 7.376 11.941 -14.606 639 1HH2 ARG 74 1HH1 ARG 74 4.213 10.842 -13.705 640 2HH2 ARG 74 2HH1 ARG 74 5.441 10.818 -14.926 641 H LYS 75 H LYS 75 2.247 14.381 -11.086 642 HA LYS 75 HA LYS 75 0.269 15.727 -9.395 643 1HB LYS 75 2HB LYS 75 -0.702 16.984 -11.378 644 2HB LYS 75 1HB LYS 75 0.817 17.627 -10.755 645 1HG LYS 75 2HG LYS 75 1.262 15.569 -12.791 646 2HG LYS 75 1HG LYS 75 0.300 16.909 -13.411 647 1HD LYS 75 2HD LYS 75 2.016 18.499 -12.560 648 2HD LYS 75 1HD LYS 75 2.993 17.128 -12.033 649 1HE LYS 75 2HE LYS 75 3.081 16.303 -14.363 650 2HE LYS 75 1HE LYS 75 2.126 17.690 -14.885 651 1HZ LYS 75 1HZ LYS 75 3.851 19.162 -14.181 652 2HZ LYS 75 2HZ LYS 75 4.545 17.981 -15.184 653 3HZ LYS 75 3HZ LYS 75 4.742 17.891 -13.499 654 H ARG 76 H ARG 76 -1.590 14.519 -9.434 655 HA ARG 76 HA ARG 76 -2.960 12.682 -9.979 656 1HB ARG 76 2HB ARG 76 -2.474 13.447 -12.857 657 2HB ARG 76 1HB ARG 76 -3.958 12.856 -12.108 658 1HG ARG 76 2HG ARG 76 -4.015 14.983 -10.746 659 2HG ARG 76 1HG ARG 76 -2.678 15.574 -11.732 660 1HD ARG 76 2HD ARG 76 -4.621 16.426 -12.794 661 2HD ARG 76 1HD ARG 76 -4.162 15.026 -13.765 662 HE ARG 76 HE ARG 76 -5.978 14.149 -11.757 663 1HH1 ARG 76 1HH2 ARG 76 -5.798 16.155 -14.555 664 2HH1 ARG 76 2HH2 ARG 76 -7.459 15.926 -14.990 665 1HH2 ARG 76 1HH1 ARG 76 -8.148 13.840 -12.308 666 2HH2 ARG 76 2HH1 ARG 76 -8.790 14.617 -13.718 667 H ILE 77 H ILE 77 -1.587 10.941 -9.392 668 HA ILE 77 HA ILE 77 0.433 9.961 -11.269 669 HB ILE 77 HB ILE 77 -0.660 8.666 -8.755 670 1HG1 ILE 77 2HG1 ILE 77 1.836 10.349 -9.130 671 2HG1 ILE 77 1HG1 ILE 77 0.334 10.960 -8.437 672 1HG2 ILE 77 1HG2 ILE 77 1.569 7.503 -8.826 673 2HG2 ILE 77 2HG2 ILE 77 1.830 8.204 -10.423 674 3HG2 ILE 77 3HG2 ILE 77 0.504 7.071 -10.163 675 1HD1 ILE 77 1HD1 ILE 77 0.450 9.284 -6.651 676 2HD1 ILE 77 2HD1 ILE 77 1.927 10.248 -6.677 677 3HD1 ILE 77 3HD1 ILE 77 1.925 8.619 -7.353 678 H THR 78 H THR 78 -0.081 8.713 -12.990 679 HA THR 78 HA THR 78 -2.713 7.413 -13.140 680 HB THR 78 HB THR 78 -0.440 7.224 -15.132 681 HG1 THR 78 1HG THR 78 -1.412 9.410 -14.375 682 1HG2 THR 78 1HG2 THR 78 -2.271 5.649 -15.488 683 2HG2 THR 78 2HG2 THR 78 -2.334 6.911 -16.718 684 3HG2 THR 78 3HG2 THR 78 -3.450 6.954 -15.354 685 H VAL 79 H VAL 79 -3.066 5.201 -12.950 686 HA VAL 79 HA VAL 79 -0.653 3.500 -12.443 687 HB VAL 79 HB VAL 79 -3.344 3.136 -11.112 688 1HG1 VAL 79 1HG1 VAL 79 -0.619 2.170 -10.233 689 2HG1 VAL 79 2HG1 VAL 79 -1.628 1.233 -11.334 690 3HG1 VAL 79 3HG1 VAL 79 -2.201 1.597 -9.707 691 1HG2 VAL 79 1HG2 VAL 79 -0.867 4.543 -10.061 692 2HG2 VAL 79 2HG2 VAL 79 -2.312 4.180 -9.118 693 3HG2 VAL 79 3HG2 VAL 79 -2.399 5.321 -10.460 694 H THR 80 H THR 80 -0.527 2.302 -14.298 695 HA THR 80 HA THR 80 -3.044 1.122 -15.395 696 HB THR 80 HB THR 80 -1.744 0.732 -17.445 697 HG1 THR 80 1HG THR 80 0.314 0.551 -17.147 698 1HG2 THR 80 1HG2 THR 80 -1.224 3.551 -16.482 699 2HG2 THR 80 2HG2 THR 80 -2.827 2.977 -16.946 700 3HG2 THR 80 3HG2 THR 80 -1.524 3.013 -18.135 701 H GLU 81 H GLU 81 -1.359 -0.915 -16.818 702 HA GLU 81 HA GLU 81 -1.229 -2.846 -14.569 703 1HB GLU 81 2HB GLU 81 -1.055 -4.548 -16.353 704 2HB GLU 81 1HB GLU 81 -2.454 -3.504 -16.609 705 1HG GLU 81 2HG GLU 81 -1.027 -2.104 -18.148 706 2HG GLU 81 1HG GLU 81 0.228 -3.337 -18.007 707 H LYS 82 H LYS 82 0.830 -0.677 -15.261 708 HA LYS 82 HA LYS 82 3.188 -2.507 -15.180 709 1HB LYS 82 2HB LYS 82 2.872 -1.348 -17.441 710 2HB LYS 82 1HB LYS 82 3.203 0.165 -16.599 711 1HG LYS 82 2HG LYS 82 5.346 -0.412 -17.304 712 2HG LYS 82 1HG LYS 82 5.317 -1.143 -15.700 713 1HD LYS 82 2HD LYS 82 6.032 -2.981 -16.893 714 2HD LYS 82 1HD LYS 82 4.296 -3.207 -17.094 715 1HE LYS 82 2HE LYS 82 6.291 -2.098 -19.060 716 2HE LYS 82 1HE LYS 82 5.107 -3.383 -19.294 717 1HZ LYS 82 1HZ LYS 82 4.519 -1.225 -20.346 718 2HZ LYS 82 2HZ LYS 82 4.378 -0.552 -18.793 719 3HZ LYS 82 3HZ LYS 82 3.347 -1.815 -19.272 720 H ASN 83 H ASN 83 1.617 0.424 -14.144 721 HA ASN 83 HA ASN 83 3.856 1.500 -12.670 722 1HB ASN 83 2HB ASN 83 0.965 1.966 -11.952 723 2HB ASN 83 1HB ASN 83 2.326 3.080 -11.822 724 1HD2 ASN 83 1HD2 ASN 83 2.300 4.650 -13.427 725 2HD2 ASN 83 2HD2 ASN 83 1.683 4.438 -14.994 726 H LEU 84 H LEU 84 1.165 -0.682 -11.878 727 HA LEU 84 HA LEU 84 1.423 -0.791 -9.095 728 1HB LEU 84 2HB LEU 84 0.438 -2.983 -9.165 729 2HB LEU 84 1HB LEU 84 -0.276 -2.050 -10.476 730 HG LEU 84 HG LEU 84 2.054 -3.966 -10.824 731 1HD1 LEU 84 1HD1 LEU 84 -0.924 -4.312 -11.100 732 2HD1 LEU 84 2HD1 LEU 84 0.245 -5.367 -10.305 733 3HD1 LEU 84 3HD1 LEU 84 0.191 -5.280 -12.064 734 1HD2 LEU 84 1HD2 LEU 84 2.120 -2.401 -12.602 735 2HD2 LEU 84 2HD2 LEU 84 0.364 -2.295 -12.690 736 3HD2 LEU 84 3HD2 LEU 84 1.191 -3.745 -13.260 737 H GLN 85 H GLN 85 3.416 -2.394 -11.545 738 HA GLN 85 HA GLN 85 5.013 -3.878 -9.655 739 1HB GLN 85 2HB GLN 85 4.795 -4.244 -12.203 740 2HB GLN 85 1HB GLN 85 5.963 -2.932 -12.365 741 1HG GLN 85 2HG GLN 85 7.617 -4.148 -11.102 742 2HG GLN 85 1HG GLN 85 6.442 -5.385 -10.653 743 1HE2 GLN 85 1HE2 GLN 85 8.897 -5.985 -12.081 744 2HE2 GLN 85 2HE2 GLN 85 8.466 -6.560 -13.618 745 H ASP 86 H ASP 86 5.318 -0.696 -11.181 746 HA ASP 86 HA ASP 86 7.930 -0.058 -10.268 747 1HB ASP 86 2HB ASP 86 6.550 1.256 -11.932 748 2HB ASP 86 1HB ASP 86 5.640 1.900 -10.565 749 H PHE 87 H PHE 87 4.770 0.306 -8.661 750 HA PHE 87 HA PHE 87 5.974 1.604 -6.329 751 1HB PHE 87 2HB PHE 87 3.221 0.367 -6.652 752 2HB PHE 87 1HB PHE 87 3.730 1.438 -5.349 753 HD1 PHE 87 1HD PHE 87 1.961 1.367 -8.334 754 HD2 PHE 87 2HD PHE 87 4.969 3.685 -6.321 755 HE1 PHE 87 1HE PHE 87 1.366 3.338 -9.712 756 HE2 PHE 87 2HE PHE 87 4.373 5.654 -7.702 757 HZ PHE 87 HZ PHE 87 2.572 5.481 -9.399 758 H ILE 88 H ILE 88 4.160 -1.454 -6.677 759 HA ILE 88 HA ILE 88 5.290 -2.516 -4.232 760 HB ILE 88 HB ILE 88 3.364 -3.374 -6.291 761 1HG1 ILE 88 2HG1 ILE 88 3.382 -4.037 -3.351 762 2HG1 ILE 88 1HG1 ILE 88 2.964 -2.419 -3.913 763 1HG2 ILE 88 1HG2 ILE 88 4.719 -5.317 -6.489 764 2HG2 ILE 88 2HG2 ILE 88 3.445 -5.752 -5.352 765 3HG2 ILE 88 3HG2 ILE 88 5.054 -5.347 -4.757 766 1HD1 ILE 88 1HD1 ILE 88 1.576 -5.016 -4.621 767 2HD1 ILE 88 2HD1 ILE 88 1.245 -3.484 -5.430 768 3HD1 ILE 88 3HD1 ILE 88 0.910 -3.662 -3.709 769 H GLY 89 H GLY 89 5.616 -3.557 -7.652 770 1HA GLY 89 2HA GLY 89 7.461 -4.511 -8.751 771 2HA GLY 89 1HA GLY 89 8.470 -3.877 -7.450 772 H LYS 90 H LYS 90 7.423 -5.193 -5.242 773 HA LYS 90 HA LYS 90 8.542 -7.856 -5.620 774 1HB LYS 90 2HB LYS 90 8.670 -6.355 -3.507 775 2HB LYS 90 1HB LYS 90 7.040 -6.933 -3.170 776 1HG LYS 90 2HG LYS 90 8.528 -8.410 -2.012 777 2HG LYS 90 1HG LYS 90 7.942 -9.296 -3.417 778 1HD LYS 90 2HD LYS 90 9.988 -9.210 -4.503 779 2HD LYS 90 1HD LYS 90 10.462 -7.703 -3.722 780 1HE LYS 90 2HE LYS 90 10.172 -10.267 -2.156 781 2HE LYS 90 1HE LYS 90 11.678 -9.850 -2.973 782 1HZ LYS 90 1HZ LYS 90 11.273 -7.585 -1.748 783 2HZ LYS 90 2HZ LYS 90 12.029 -8.886 -0.958 784 3HZ LYS 90 3HZ LYS 90 10.383 -8.562 -0.684 785 H ARG 91 H ARG 91 7.115 -8.919 -7.068 786 HA ARG 91 HA ARG 91 4.331 -9.375 -6.060 787 1HB ARG 91 2HB ARG 91 3.803 -10.027 -8.389 788 2HB ARG 91 1HB ARG 91 4.445 -8.386 -8.310 789 1HG ARG 91 2HG ARG 91 6.763 -9.733 -8.643 790 2HG ARG 91 1HG ARG 91 5.671 -10.848 -9.462 791 1HD ARG 91 2HD ARG 91 4.770 -8.695 -10.647 792 2HD ARG 91 1HD ARG 91 6.299 -7.984 -10.136 793 HE ARG 91 HE ARG 91 7.435 -9.411 -11.669 794 1HH1 ARG 91 1HH2 ARG 91 4.090 -10.175 -11.312 795 2HH1 ARG 91 2HH2 ARG 91 4.054 -11.249 -12.668 796 1HH2 ARG 91 1HH1 ARG 91 7.405 -10.810 -13.443 797 2HH2 ARG 91 2HH1 ARG 91 5.931 -11.609 -13.875 798 H ILE 92 H ILE 92 3.505 -11.651 -6.646 799 HA ILE 92 HA ILE 92 5.668 -13.628 -6.037 800 HB ILE 92 HB ILE 92 2.691 -13.954 -5.587 801 1HG1 ILE 92 2HG1 ILE 92 4.883 -12.967 -3.737 802 2HG1 ILE 92 1HG1 ILE 92 3.417 -12.107 -4.206 803 1HG2 ILE 92 1HG2 ILE 92 4.242 -15.984 -5.767 804 2HG2 ILE 92 2HG2 ILE 92 3.310 -15.855 -4.276 805 3HG2 ILE 92 3HG2 ILE 92 5.014 -15.400 -4.293 806 1HD1 ILE 92 1HD1 ILE 92 2.859 -12.951 -2.087 807 2HD1 ILE 92 2HD1 ILE 92 3.706 -14.471 -2.364 808 3HD1 ILE 92 3HD1 ILE 92 2.171 -14.158 -3.172 809 H PHE 93 H PHE 93 2.392 -13.975 -7.426 810 HA PHE 93 HA PHE 93 3.186 -16.064 -9.208 811 1HB PHE 93 2HB PHE 93 0.857 -14.228 -9.761 812 2HB PHE 93 1HB PHE 93 0.997 -15.956 -10.080 813 HD1 PHE 93 1HD PHE 93 1.913 -17.143 -7.635 814 HD2 PHE 93 2HD PHE 93 -0.804 -13.856 -8.160 815 HE1 PHE 93 1HE PHE 93 0.890 -17.636 -5.432 816 HE2 PHE 93 2HE PHE 93 -1.826 -14.351 -5.957 817 HZ PHE 93 HZ PHE 93 -0.980 -16.240 -4.592 818 H ARG 94 H ARG 94 5.054 -15.328 -10.345 819 HA ARG 94 HA ARG 94 4.683 -13.000 -12.162 820 1HB ARG 94 2HB ARG 94 7.183 -13.528 -12.642 821 2HB ARG 94 1HB ARG 94 6.768 -12.835 -11.075 822 1HG ARG 94 2HG ARG 94 6.859 -14.994 -10.009 823 2HG ARG 94 1HG ARG 94 7.013 -15.814 -11.564 824 1HD ARG 94 2HD ARG 94 9.170 -14.574 -11.928 825 2HD ARG 94 1HD ARG 94 9.034 -13.954 -10.284 826 HE ARG 94 HE ARG 94 8.852 -16.856 -10.394 827 1HH1 ARG 94 1HH2 ARG 94 10.916 -14.096 -10.365 828 2HH1 ARG 94 2HH2 ARG 94 12.262 -14.944 -9.679 829 1HH2 ARG 94 1HH1 ARG 94 10.597 -17.979 -9.498 830 2HH2 ARG 94 2HH1 ARG 94 12.081 -17.142 -9.188 831 H TYR 95 H TYR 95 3.180 -14.178 -13.566 832 HA TYR 95 HA TYR 95 2.657 -15.547 -15.406 833 1HB TYR 95 2HB TYR 95 5.597 -14.976 -15.880 834 2HB TYR 95 1HB TYR 95 4.552 -15.761 -17.064 835 HD1 TYR 95 1HD TYR 95 5.706 -12.630 -15.799 836 HD2 TYR 95 2HD TYR 95 2.336 -14.528 -17.667 837 HE1 TYR 95 1HE TYR 95 4.870 -10.416 -16.540 838 HE2 TYR 95 2HE TYR 95 1.500 -12.314 -18.409 839 HH TYR 95 HH TYR 95 3.269 -9.653 -18.602 Start of MODEL 5 1 H ALA 1 H ALA 1 -21.842 -9.019 8.012 2 HA ALA 1 HA ALA 1 -19.202 -8.862 9.411 3 1HB ALA 1 1HB ALA 1 -21.262 -8.897 10.936 4 2HB ALA 1 2HB ALA 1 -20.049 -10.142 11.237 5 3HB ALA 1 3HB ALA 1 -21.529 -10.542 10.363 6 H GLY 2 H GLY 2 -19.649 -9.776 6.724 7 1HA GLY 2 2HA GLY 2 -18.179 -12.144 6.629 8 2HA GLY 2 1HA GLY 2 -19.866 -12.661 6.665 9 H TYR 3 H TYR 3 -17.413 -11.041 4.771 10 HA TYR 3 HA TYR 3 -19.259 -10.368 2.599 11 1HB TYR 3 2HB TYR 3 -17.377 -9.433 1.505 12 2HB TYR 3 1HB TYR 3 -17.075 -9.133 3.216 13 HD1 TYR 3 1HD TYR 3 -16.003 -10.940 0.235 14 HD2 TYR 3 2HD TYR 3 -15.472 -10.571 4.481 15 HE1 TYR 3 1HE TYR 3 -13.887 -12.220 0.081 16 HE2 TYR 3 2HE TYR 3 -13.355 -11.850 4.327 17 HH TYR 3 HH TYR 3 -11.812 -12.500 1.353 18 H THR 4 H THR 4 -18.090 -11.151 0.306 19 HA THR 4 HA THR 4 -17.372 -13.997 0.399 20 HB THR 4 HB THR 4 -19.280 -14.600 -1.160 21 HG1 THR 4 1HG THR 4 -20.718 -13.137 -1.615 22 1HG2 THR 4 1HG2 THR 4 -19.201 -15.030 1.364 23 2HG2 THR 4 2HG2 THR 4 -20.798 -15.043 0.616 24 3HG2 THR 4 3HG2 THR 4 -20.263 -13.632 1.527 25 H GLU 5 H GLU 5 -17.177 -14.792 -2.005 26 HA GLU 5 HA GLU 5 -15.284 -13.269 -3.370 27 1HB GLU 5 2HB GLU 5 -17.338 -15.187 -4.510 28 2HB GLU 5 1HB GLU 5 -15.953 -14.571 -5.414 29 1HG GLU 5 2HG GLU 5 -14.430 -15.516 -3.700 30 2HG GLU 5 1HG GLU 5 -15.824 -16.169 -2.840 31 H ILE 6 H ILE 6 -18.787 -13.388 -4.114 32 HA ILE 6 HA ILE 6 -18.776 -11.407 -6.133 33 HB ILE 6 HB ILE 6 -20.987 -11.836 -4.104 34 1HG1 ILE 6 2HG1 ILE 6 -20.351 -14.022 -4.915 35 2HG1 ILE 6 1HG1 ILE 6 -21.817 -13.547 -5.772 36 1HG2 ILE 6 1HG2 ILE 6 -22.334 -11.390 -6.287 37 2HG2 ILE 6 2HG2 ILE 6 -20.825 -10.714 -6.897 38 3HG2 ILE 6 3HG2 ILE 6 -21.589 -10.021 -5.467 39 1HD1 ILE 6 1HD1 ILE 6 -20.430 -14.347 -7.496 40 2HD1 ILE 6 2HD1 ILE 6 -18.983 -13.628 -6.793 41 3HD1 ILE 6 3HD1 ILE 6 -20.187 -12.603 -7.573 42 H GLU 7 H GLU 7 -19.707 -10.916 -2.701 43 HA GLU 7 HA GLU 7 -19.864 -8.132 -2.706 44 1HB GLU 7 2HB GLU 7 -19.204 -10.194 -0.671 45 2HB GLU 7 1HB GLU 7 -18.693 -8.553 -0.275 46 1HG GLU 7 2HG GLU 7 -21.494 -9.177 -1.231 47 2HG GLU 7 1HG GLU 7 -21.052 -9.223 0.476 48 H LYS 8 H LYS 8 -16.920 -10.041 -1.978 49 HA LYS 8 HA LYS 8 -15.070 -8.025 -1.672 50 1HB LYS 8 2HB LYS 8 -14.414 -10.304 -1.395 51 2HB LYS 8 1HB LYS 8 -14.874 -10.713 -3.046 52 1HG LYS 8 2HG LYS 8 -12.892 -8.541 -2.849 53 2HG LYS 8 1HG LYS 8 -12.326 -10.096 -2.244 54 1HD LYS 8 2HD LYS 8 -12.960 -11.177 -4.352 55 2HD LYS 8 1HD LYS 8 -13.586 -9.648 -4.965 56 1HE LYS 8 2HE LYS 8 -10.739 -9.823 -4.008 57 2HE LYS 8 1HE LYS 8 -11.160 -10.381 -5.626 58 1HZ LYS 8 1HZ LYS 8 -10.634 -7.810 -4.915 59 2HZ LYS 8 2HZ LYS 8 -12.330 -7.848 -4.990 60 3HZ LYS 8 3HZ LYS 8 -11.408 -8.305 -6.341 61 H LEU 9 H LEU 9 -16.256 -9.348 -4.782 62 HA LEU 9 HA LEU 9 -14.557 -7.648 -6.375 63 1HB LEU 9 2HB LEU 9 -16.674 -9.601 -6.828 64 2HB LEU 9 1HB LEU 9 -16.856 -8.219 -7.904 65 HG LEU 9 HG LEU 9 -14.181 -9.577 -7.538 66 1HD1 LEU 9 1HD1 LEU 9 -15.777 -11.307 -8.243 67 2HD1 LEU 9 2HD1 LEU 9 -14.704 -10.885 -9.578 68 3HD1 LEU 9 3HD1 LEU 9 -16.354 -10.262 -9.541 69 1HD2 LEU 9 1HD2 LEU 9 -13.709 -8.551 -9.693 70 2HD2 LEU 9 2HD2 LEU 9 -14.351 -7.308 -8.619 71 3HD2 LEU 9 3HD2 LEU 9 -15.384 -8.026 -9.853 72 H GLU 10 H GLU 10 -17.905 -7.343 -5.213 73 HA GLU 10 HA GLU 10 -18.523 -4.919 -6.578 74 1HB GLU 10 2HB GLU 10 -19.572 -6.314 -4.142 75 2HB GLU 10 1HB GLU 10 -20.065 -4.644 -4.424 76 1HG GLU 10 2HG GLU 10 -21.616 -6.347 -5.442 77 2HG GLU 10 1HG GLU 10 -20.946 -5.205 -6.608 78 H ILE 11 H ILE 11 -17.298 -5.381 -3.226 79 HA ILE 11 HA ILE 11 -16.980 -2.542 -2.810 80 HB ILE 11 HB ILE 11 -15.285 -3.508 -0.982 81 1HG1 ILE 11 2HG1 ILE 11 -17.087 -5.884 -1.137 82 2HG1 ILE 11 1HG1 ILE 11 -15.729 -5.838 -2.259 83 1HG2 ILE 11 1HG2 ILE 11 -17.311 -2.403 -0.351 84 2HG2 ILE 11 2HG2 ILE 11 -17.334 -3.971 0.457 85 3HG2 ILE 11 3HG2 ILE 11 -18.304 -3.711 -0.992 86 1HD1 ILE 11 1HD1 ILE 11 -14.155 -5.992 -0.586 87 2HD1 ILE 11 2HD1 ILE 11 -15.480 -6.835 0.217 88 3HD1 ILE 11 3HD1 ILE 11 -15.159 -5.143 0.588 89 H VAL 12 H VAL 12 -14.396 -5.024 -3.076 90 HA VAL 12 HA VAL 12 -12.201 -3.418 -3.394 91 HB VAL 12 HB VAL 12 -12.883 -5.894 -4.995 92 1HG1 VAL 12 1HG1 VAL 12 -10.338 -4.276 -4.799 93 2HG1 VAL 12 2HG1 VAL 12 -11.176 -4.815 -6.253 94 3HG1 VAL 12 3HG1 VAL 12 -10.328 -5.983 -5.242 95 1HG2 VAL 12 1HG2 VAL 12 -12.744 -6.248 -2.579 96 2HG2 VAL 12 2HG2 VAL 12 -11.211 -5.380 -2.514 97 3HG2 VAL 12 3HG2 VAL 12 -11.311 -6.932 -3.345 98 H LYS 13 H LYS 13 -14.651 -4.003 -5.899 99 HA LYS 13 HA LYS 13 -13.151 -2.423 -7.835 100 1HB LYS 13 2HB LYS 13 -14.602 -4.289 -8.556 101 2HB LYS 13 1HB LYS 13 -16.008 -3.416 -7.946 102 1HG LYS 13 2HG LYS 13 -15.747 -1.671 -9.554 103 2HG LYS 13 1HG LYS 13 -14.134 -2.228 -10.000 104 1HD LYS 13 2HD LYS 13 -14.991 -4.173 -11.078 105 2HD LYS 13 1HD LYS 13 -16.590 -3.952 -10.365 106 1HE LYS 13 2HE LYS 13 -16.408 -3.243 -12.791 107 2HE LYS 13 1HE LYS 13 -17.003 -1.993 -11.699 108 1HZ LYS 13 1HZ LYS 13 -15.156 -0.765 -11.951 109 2HZ LYS 13 2HZ LYS 13 -14.993 -1.630 -13.405 110 3HZ LYS 13 3HZ LYS 13 -14.125 -2.110 -12.026 111 H ASP 14 H ASP 14 -16.020 -1.855 -5.799 112 HA ASP 14 HA ASP 14 -16.417 0.809 -6.937 113 1HB ASP 14 2HB ASP 14 -17.635 -0.405 -4.444 114 2HB ASP 14 1HB ASP 14 -18.222 1.010 -5.320 115 H HIS 15 H HIS 15 -15.482 -0.342 -3.685 116 HA HIS 15 HA HIS 15 -15.027 2.150 -2.503 117 1HB HIS 15 2HB HIS 15 -14.084 0.989 -0.749 118 2HB HIS 15 1HB HIS 15 -14.920 -0.325 -1.571 119 HD1 HIS 15 1HD HIS 15 -11.909 0.065 0.033 120 HD2 HIS 15 2HD HIS 15 -12.789 -1.194 -3.849 121 HE1 HIS 15 1HE HIS 15 -9.897 -1.249 -0.770 122 HE2 HIS 15 2HE HIS 15 -10.423 -2.017 -3.129 123 H LEU 16 H LEU 16 -12.734 0.274 -4.481 124 HA LEU 16 HA LEU 16 -10.355 1.494 -3.983 125 1HB LEU 16 2HB LEU 16 -10.008 1.472 -6.595 126 2HB LEU 16 1HB LEU 16 -10.163 -0.028 -5.691 127 HG LEU 16 HG LEU 16 -12.601 -0.055 -6.236 128 1HD1 LEU 16 1HD1 LEU 16 -12.921 1.514 -8.431 129 2HD1 LEU 16 2HD1 LEU 16 -11.840 2.531 -7.485 130 3HD1 LEU 16 3HD1 LEU 16 -13.387 2.021 -6.810 131 1HD2 LEU 16 1HD2 LEU 16 -11.129 -1.386 -7.597 132 2HD2 LEU 16 2HD2 LEU 16 -10.580 0.032 -8.488 133 3HD2 LEU 16 3HD2 LEU 16 -12.227 -0.557 -8.702 134 H LEU 17 H LEU 17 -13.000 3.122 -5.746 135 HA LEU 17 HA LEU 17 -11.358 5.373 -6.477 136 1HB LEU 17 2HB LEU 17 -14.122 4.599 -6.814 137 2HB LEU 17 1HB LEU 17 -14.038 6.276 -6.285 138 HG LEU 17 HG LEU 17 -12.308 6.666 -8.094 139 1HD1 LEU 17 1HD1 LEU 17 -11.543 4.478 -8.617 140 2HD1 LEU 17 2HD1 LEU 17 -12.521 4.956 -10.003 141 3HD1 LEU 17 3HD1 LEU 17 -13.185 3.860 -8.793 142 1HD2 LEU 17 1HD2 LEU 17 -15.056 5.726 -8.977 143 2HD2 LEU 17 2HD2 LEU 17 -14.005 6.827 -9.868 144 3HD2 LEU 17 3HD2 LEU 17 -14.689 7.320 -8.320 145 HA PRO 18 HA PRO 18 -13.306 7.803 -2.813 146 1HB PRO 18 2HB PRO 18 -14.786 6.393 -0.973 147 2HB PRO 18 1HB PRO 18 -15.483 7.196 -2.395 148 1HG PRO 18 2HG PRO 18 -14.743 4.329 -2.021 149 2HG PRO 18 1HG PRO 18 -16.200 5.026 -2.752 150 1HD PRO 18 2HD PRO 18 -14.195 4.088 -4.290 151 2HD PRO 18 1HD PRO 18 -15.123 5.529 -4.755 152 H LYS 19 H LYS 19 -12.611 4.438 -1.756 153 HA LYS 19 HA LYS 19 -11.562 4.921 0.757 154 1HB LYS 19 2HB LYS 19 -11.386 2.807 -1.147 155 2HB LYS 19 1HB LYS 19 -9.756 3.098 -0.550 156 1HG LYS 19 2HG LYS 19 -12.143 2.789 1.289 157 2HG LYS 19 1HG LYS 19 -11.126 1.435 0.800 158 1HD LYS 19 2HD LYS 19 -9.133 2.764 1.654 159 2HD LYS 19 1HD LYS 19 -10.290 3.890 2.361 160 1HE LYS 19 2HE LYS 19 -11.329 1.992 3.601 161 2HE LYS 19 1HE LYS 19 -10.079 0.925 2.960 162 1HZ LYS 19 1HZ LYS 19 -9.234 3.390 4.291 163 2HZ LYS 19 2HZ LYS 19 -8.477 1.870 4.240 164 3HZ LYS 19 3HZ LYS 19 -9.809 2.125 5.264 165 H GLN 20 H GLN 20 -9.203 4.475 -1.886 166 HA GLN 20 HA GLN 20 -7.131 5.860 -0.545 167 1HB GLN 20 2HB GLN 20 -6.359 6.197 -3.102 168 2HB GLN 20 1HB GLN 20 -6.240 4.646 -2.275 169 1HG GLN 20 2HG GLN 20 -8.785 5.376 -3.704 170 2HG GLN 20 1HG GLN 20 -7.410 4.766 -4.622 171 1HE2 GLN 20 1HE2 GLN 20 -6.455 2.622 -3.738 172 2HE2 GLN 20 2HE2 GLN 20 -7.551 1.495 -3.100 173 H ILE 21 H ILE 21 -9.350 7.115 -3.075 174 HA ILE 21 HA ILE 21 -8.301 9.678 -3.333 175 HB ILE 21 HB ILE 21 -11.156 8.711 -3.361 176 1HG1 ILE 21 2HG1 ILE 21 -9.662 8.093 -5.239 177 2HG1 ILE 21 1HG1 ILE 21 -10.935 9.188 -5.772 178 1HG2 ILE 21 1HG2 ILE 21 -10.124 11.533 -3.635 179 2HG2 ILE 21 2HG2 ILE 21 -11.465 10.947 -2.651 180 3HG2 ILE 21 3HG2 ILE 21 -11.625 11.020 -4.406 181 1HD1 ILE 21 1HD1 ILE 21 -8.005 9.631 -5.602 182 2HD1 ILE 21 2HD1 ILE 21 -9.005 10.995 -5.106 183 3HD1 ILE 21 3HD1 ILE 21 -9.180 10.312 -6.721 184 H LYS 22 H LYS 22 -10.325 8.480 -0.659 185 HA LYS 22 HA LYS 22 -10.643 11.060 0.573 186 1HB LYS 22 2HB LYS 22 -10.859 8.229 1.588 187 2HB LYS 22 1HB LYS 22 -11.044 9.604 2.677 188 1HG LYS 22 2HG LYS 22 -12.852 10.495 1.263 189 2HG LYS 22 1HG LYS 22 -12.664 9.136 0.156 190 1HD LYS 22 2HD LYS 22 -13.408 7.569 1.788 191 2HD LYS 22 1HD LYS 22 -13.246 8.741 3.095 192 1HE LYS 22 2HE LYS 22 -15.601 8.534 2.531 193 2HE LYS 22 1HE LYS 22 -15.035 10.121 2.007 194 1HZ LYS 22 1HZ LYS 22 -14.528 8.523 -0.128 195 2HZ LYS 22 2HZ LYS 22 -15.860 9.564 0.034 196 3HZ LYS 22 3HZ LYS 22 -16.007 7.922 0.445 197 H GLU 23 H GLU 23 -8.859 8.447 2.186 198 HA GLU 23 HA GLU 23 -7.221 9.964 3.801 199 1HB GLU 23 2HB GLU 23 -7.238 7.460 3.712 200 2HB GLU 23 1HB GLU 23 -6.259 7.542 2.246 201 1HG GLU 23 2HG GLU 23 -4.443 8.596 3.422 202 2HG GLU 23 1HG GLU 23 -5.434 8.820 4.864 203 H HIS 24 H HIS 24 -6.753 9.289 0.370 204 HA HIS 24 HA HIS 24 -4.235 10.781 0.241 205 1HB HIS 24 2HB HIS 24 -6.008 9.923 -2.063 206 2HB HIS 24 1HB HIS 24 -4.288 10.300 -2.119 207 HD1 HIS 24 1HD HIS 24 -5.575 8.235 0.728 208 HD2 HIS 24 2HD HIS 24 -3.707 7.608 -2.947 209 HE1 HIS 24 1HE HIS 24 -4.815 5.812 0.707 210 HE2 HIS 24 2HE HIS 24 -3.668 5.431 -1.518 211 H GLY 25 H GLY 25 -7.634 11.284 -0.562 212 1HA GLY 25 2HA GLY 25 -7.703 13.618 -1.994 213 2HA GLY 25 1HA GLY 25 -8.832 13.316 -0.675 214 H LEU 26 H LEU 26 -6.897 13.345 1.453 215 HA LEU 26 HA LEU 26 -6.927 15.925 2.372 216 1HB LEU 26 2HB LEU 26 -5.704 13.683 3.254 217 2HB LEU 26 1HB LEU 26 -4.284 14.581 2.721 218 HG LEU 26 HG LEU 26 -6.403 15.606 4.637 219 1HD1 LEU 26 1HD1 LEU 26 -4.852 13.827 5.523 220 2HD1 LEU 26 2HD1 LEU 26 -4.709 15.379 6.348 221 3HD1 LEU 26 3HD1 LEU 26 -3.502 14.900 5.155 222 1HD2 LEU 26 1HD2 LEU 26 -3.925 16.826 3.412 223 2HD2 LEU 26 2HD2 LEU 26 -4.562 17.404 4.952 224 3HD2 LEU 26 3HD2 LEU 26 -5.553 17.500 3.497 225 H LYS 27 H LYS 27 -4.585 14.630 0.038 226 HA LYS 27 HA LYS 27 -3.470 17.372 -0.342 227 1HB LYS 27 2HB LYS 27 -2.468 14.603 -0.768 228 2HB LYS 27 1HB LYS 27 -1.995 15.778 -1.996 229 1HG LYS 27 2HG LYS 27 -1.152 17.280 -0.206 230 2HG LYS 27 1HG LYS 27 -1.568 16.056 0.994 231 1HD LYS 27 2HD LYS 27 0.061 14.543 0.194 232 2HD LYS 27 1HD LYS 27 0.224 15.396 -1.341 233 1HE LYS 27 2HE LYS 27 1.168 17.353 -0.100 234 2HE LYS 27 1HE LYS 27 1.119 16.392 1.379 235 1HZ LYS 27 1HZ LYS 27 3.231 15.980 0.659 236 2HZ LYS 27 2HZ LYS 27 2.825 16.084 -0.987 237 3HZ LYS 27 3HZ LYS 27 2.414 14.698 -0.093 238 H LYS 28 H LYS 28 -3.125 17.978 -2.720 239 HA LYS 28 HA LYS 28 -5.529 18.120 -4.128 240 1HB LYS 28 2HB LYS 28 -4.115 18.504 -6.177 241 2HB LYS 28 1HB LYS 28 -3.661 19.498 -4.795 242 1HG LYS 28 2HG LYS 28 -2.272 16.913 -4.808 243 2HG LYS 28 1HG LYS 28 -1.941 17.854 -6.260 244 1HD LYS 28 2HD LYS 28 -1.788 19.136 -3.534 245 2HD LYS 28 1HD LYS 28 -0.424 18.228 -4.182 246 1HE LYS 28 2HE LYS 28 -1.783 20.522 -5.628 247 2HE LYS 28 1HE LYS 28 -0.296 20.675 -4.692 248 1HZ LYS 28 1HZ LYS 28 0.756 19.068 -6.137 249 2HZ LYS 28 2HZ LYS 28 0.142 20.360 -7.055 250 3HZ LYS 28 3HZ LYS 28 -0.678 18.873 -7.021 251 H SER 29 H SER 29 -6.270 16.970 -6.073 252 HA SER 29 HA SER 29 -6.544 14.223 -5.848 253 1HB SER 29 2HB SER 29 -6.278 15.682 -8.491 254 2HB SER 29 1HB SER 29 -7.137 14.172 -8.205 255 HG SER 29 HG SER 29 -8.710 15.636 -8.038 256 H ASN 30 H ASN 30 -4.630 13.161 -5.246 257 HA ASN 30 HA ASN 30 -2.417 13.171 -7.260 258 1HB ASN 30 2HB ASN 30 -2.018 13.879 -4.797 259 2HB ASN 30 1HB ASN 30 -2.185 12.163 -4.427 260 1HD2 ASN 30 1HD2 ASN 30 -0.968 12.121 -7.481 261 2HD2 ASN 30 2HD2 ASN 30 0.694 12.100 -7.141 262 H LEU 31 H LEU 31 -4.531 11.580 -7.972 263 HA LEU 31 HA LEU 31 -3.278 8.944 -7.909 264 1HB LEU 31 2HB LEU 31 -4.609 9.045 -5.762 265 2HB LEU 31 1HB LEU 31 -6.059 9.203 -6.749 266 HG LEU 31 HG LEU 31 -5.034 7.052 -7.964 267 1HD1 LEU 31 1HD1 LEU 31 -3.912 5.578 -6.367 268 2HD1 LEU 31 2HD1 LEU 31 -3.997 6.825 -5.124 269 3HD1 LEU 31 3HD1 LEU 31 -2.988 7.069 -6.549 270 1HD2 LEU 31 1HD2 LEU 31 -6.433 5.662 -6.497 271 2HD2 LEU 31 2HD2 LEU 31 -7.238 7.193 -6.840 272 3HD2 LEU 31 3HD2 LEU 31 -6.451 6.941 -5.283 273 H GLN 32 H GLN 32 -3.625 8.042 -9.859 274 HA GLN 32 HA GLN 32 -6.184 8.571 -11.277 275 1HB GLN 32 2HB GLN 32 -3.451 9.364 -12.149 276 2HB GLN 32 1HB GLN 32 -4.446 8.590 -13.382 277 1HG GLN 32 2HG GLN 32 -6.271 10.226 -12.863 278 2HG GLN 32 1HG GLN 32 -5.169 11.044 -11.756 279 1HE2 GLN 32 1HE2 GLN 32 -2.965 10.144 -13.864 280 2HE2 GLN 32 2HE2 GLN 32 -3.060 11.377 -15.027 281 H LEU 33 H LEU 33 -6.155 6.331 -10.127 282 HA LEU 33 HA LEU 33 -4.755 4.264 -11.724 283 1HB LEU 33 2HB LEU 33 -4.768 4.258 -9.179 284 2HB LEU 33 1HB LEU 33 -6.490 3.901 -9.263 285 HG LEU 33 HG LEU 33 -4.735 2.156 -10.919 286 1HD1 LEU 33 1HD1 LEU 33 -4.068 0.781 -8.992 287 2HD1 LEU 33 2HD1 LEU 33 -4.803 1.948 -7.893 288 3HD1 LEU 33 3HD1 LEU 33 -3.395 2.404 -8.849 289 1HD2 LEU 33 1HD2 LEU 33 -6.888 1.450 -8.913 290 2HD2 LEU 33 2HD2 LEU 33 -6.333 0.489 -10.282 291 3HD2 LEU 33 3HD2 LEU 33 -7.266 1.959 -10.556 292 H ARG 34 H ARG 34 -5.939 2.587 -12.752 293 HA ARG 34 HA ARG 34 -8.821 3.230 -13.263 294 1HB ARG 34 2HB ARG 34 -6.753 1.914 -15.048 295 2HB ARG 34 1HB ARG 34 -8.468 2.034 -15.442 296 1HG ARG 34 2HG ARG 34 -8.265 4.539 -15.155 297 2HG ARG 34 1HG ARG 34 -6.519 4.316 -15.030 298 1HD ARG 34 2HD ARG 34 -6.577 3.150 -17.257 299 2HD ARG 34 1HD ARG 34 -8.280 3.589 -17.387 300 HE ARG 34 HE ARG 34 -6.040 5.368 -17.834 301 1HH1 ARG 34 1HH2 ARG 34 -9.257 5.098 -16.625 302 2HH1 ARG 34 2HH2 ARG 34 -9.655 6.754 -16.935 303 1HH2 ARG 34 1HH1 ARG 34 -6.541 7.533 -18.245 304 2HH2 ARG 34 2HH1 ARG 34 -8.118 8.133 -17.852 305 H ASP 35 H ASP 35 -10.214 1.319 -13.646 306 HA ASP 35 HA ASP 35 -10.028 -0.640 -11.630 307 1HB ASP 35 2HB ASP 35 -11.433 -0.744 -14.313 308 2HB ASP 35 1HB ASP 35 -11.670 -1.938 -13.036 309 H GLN 36 H GLN 36 -8.882 -0.753 -14.990 310 HA GLN 36 HA GLN 36 -8.129 -3.462 -15.132 311 1HB GLN 36 2HB GLN 36 -8.025 -1.792 -17.011 312 2HB GLN 36 1HB GLN 36 -6.559 -1.136 -16.279 313 1HG GLN 36 2HG GLN 36 -5.407 -3.248 -16.533 314 2HG GLN 36 1HG GLN 36 -6.889 -4.044 -17.068 315 1HE2 GLN 36 1HE2 GLN 36 -6.038 -4.579 -19.193 316 2HE2 GLN 36 2HE2 GLN 36 -5.734 -3.386 -20.360 317 H ALA 37 H ALA 37 -6.323 -0.701 -13.794 318 HA ALA 37 HA ALA 37 -3.893 -2.012 -13.234 319 1HB ALA 37 1HB ALA 37 -4.272 -0.296 -11.065 320 2HB ALA 37 2HB ALA 37 -5.255 0.412 -12.345 321 3HB ALA 37 3HB ALA 37 -3.536 0.133 -12.609 322 H ILE 38 H ILE 38 -6.264 -1.308 -10.648 323 HA ILE 38 HA ILE 38 -5.313 -3.138 -8.778 324 HB ILE 38 HB ILE 38 -8.081 -2.093 -9.349 325 1HG1 ILE 38 2HG1 ILE 38 -6.290 -1.849 -6.914 326 2HG1 ILE 38 1HG1 ILE 38 -6.257 -0.710 -8.260 327 1HG2 ILE 38 1HG2 ILE 38 -8.643 -4.230 -8.482 328 2HG2 ILE 38 2HG2 ILE 38 -8.669 -3.169 -7.075 329 3HG2 ILE 38 3HG2 ILE 38 -7.284 -4.222 -7.358 330 1HD1 ILE 38 1HD1 ILE 38 -7.784 -0.225 -6.167 331 2HD1 ILE 38 2HD1 ILE 38 -8.882 -1.356 -6.956 332 3HD1 ILE 38 3HD1 ILE 38 -8.384 0.116 -7.788 333 H LEU 39 H LEU 39 -7.618 -3.779 -11.425 334 HA LEU 39 HA LEU 39 -8.336 -6.404 -10.838 335 1HB LEU 39 2HB LEU 39 -7.943 -4.869 -13.354 336 2HB LEU 39 1HB LEU 39 -8.017 -6.621 -13.521 337 HG LEU 39 HG LEU 39 -10.083 -5.203 -11.853 338 1HD1 LEU 39 1HD1 LEU 39 -10.263 -3.944 -13.860 339 2HD1 LEU 39 2HD1 LEU 39 -11.486 -5.206 -14.008 340 3HD1 LEU 39 3HD1 LEU 39 -9.953 -5.358 -14.868 341 1HD2 LEU 39 1HD2 LEU 39 -11.456 -7.122 -12.635 342 2HD2 LEU 39 2HD2 LEU 39 -9.986 -7.663 -11.826 343 3HD2 LEU 39 3HD2 LEU 39 -10.087 -7.698 -13.586 344 H ASP 40 H ASP 40 -5.392 -5.354 -12.557 345 HA ASP 40 HA ASP 40 -4.326 -8.031 -12.762 346 1HB ASP 40 2HB ASP 40 -2.303 -6.999 -13.537 347 2HB ASP 40 1HB ASP 40 -3.640 -6.050 -14.185 348 H ILE 41 H ILE 41 -3.879 -5.404 -10.392 349 HA ILE 41 HA ILE 41 -1.760 -6.414 -8.890 350 HB ILE 41 HB ILE 41 -4.319 -5.082 -7.975 351 1HG1 ILE 41 2HG1 ILE 41 -2.407 -3.956 -9.406 352 2HG1 ILE 41 1HG1 ILE 41 -3.108 -3.089 -8.044 353 1HG2 ILE 41 1HG2 ILE 41 -2.927 -4.633 -5.850 354 2HG2 ILE 41 2HG2 ILE 41 -1.922 -5.981 -6.379 355 3HG2 ILE 41 3HG2 ILE 41 -3.631 -6.239 -6.030 356 1HD1 ILE 41 1HD1 ILE 41 -1.254 -3.531 -6.649 357 2HD1 ILE 41 2HD1 ILE 41 -0.524 -3.170 -8.213 358 3HD1 ILE 41 3HD1 ILE 41 -0.678 -4.841 -7.679 359 H ILE 42 H ILE 42 -5.091 -6.978 -7.747 360 HA ILE 42 HA ILE 42 -4.548 -9.187 -6.131 361 HB ILE 42 HB ILE 42 -6.750 -8.077 -6.216 362 1HG1 ILE 42 2HG1 ILE 42 -7.002 -11.003 -6.972 363 2HG1 ILE 42 1HG1 ILE 42 -6.483 -10.449 -5.379 364 1HG2 ILE 42 1HG2 ILE 42 -6.683 -7.927 -8.779 365 2HG2 ILE 42 2HG2 ILE 42 -8.239 -8.335 -8.056 366 3HG2 ILE 42 3HG2 ILE 42 -7.246 -9.599 -8.781 367 1HD1 ILE 42 1HD1 ILE 42 -8.620 -9.125 -5.225 368 2HD1 ILE 42 2HD1 ILE 42 -8.864 -10.872 -5.277 369 3HD1 ILE 42 3HD1 ILE 42 -9.143 -9.898 -6.721 370 H ARG 43 H ARG 43 -5.167 -9.147 -9.631 371 HA ARG 43 HA ARG 43 -5.392 -11.883 -10.144 372 1HB ARG 43 2HB ARG 43 -5.400 -9.916 -11.817 373 2HB ARG 43 1HB ARG 43 -3.650 -10.118 -11.866 374 1HG ARG 43 2HG ARG 43 -4.068 -12.576 -12.379 375 2HG ARG 43 1HG ARG 43 -5.762 -12.148 -12.617 376 1HD ARG 43 2HD ARG 43 -5.025 -10.434 -14.301 377 2HD ARG 43 1HD ARG 43 -3.383 -11.058 -14.145 378 HE ARG 43 HE ARG 43 -5.377 -13.105 -14.793 379 1HH1 ARG 43 1HH2 ARG 43 -3.154 -10.717 -15.910 380 2HH1 ARG 43 2HH2 ARG 43 -2.948 -11.446 -17.469 381 1HH2 ARG 43 1HH1 ARG 43 -5.117 -14.072 -16.822 382 2HH2 ARG 43 2HH1 ARG 43 -4.058 -13.344 -17.984 383 H TYR 44 H TYR 44 -2.390 -10.029 -9.582 384 HA TYR 44 HA TYR 44 -0.737 -12.416 -9.953 385 1HB TYR 44 2HB TYR 44 0.047 -9.775 -8.693 386 2HB TYR 44 1HB TYR 44 1.126 -10.991 -9.375 387 HD1 TYR 44 1HD TYR 44 -0.157 -7.883 -10.037 388 HD2 TYR 44 2HD TYR 44 0.183 -11.738 -11.905 389 HE1 TYR 44 1HE TYR 44 -0.354 -6.823 -12.269 390 HE2 TYR 44 2HE TYR 44 -0.018 -10.676 -14.134 391 HH TYR 44 HH TYR 44 -0.622 -7.190 -14.460 392 H TYR 45 H TYR 45 -1.818 -10.440 -7.193 393 HA TYR 45 HA TYR 45 -0.506 -12.128 -5.233 394 1HB TYR 45 2HB TYR 45 -2.715 -10.068 -5.005 395 2HB TYR 45 1HB TYR 45 -2.005 -10.891 -3.618 396 HD1 TYR 45 1HD TYR 45 -1.595 -8.258 -6.067 397 HD2 TYR 45 2HD TYR 45 0.472 -10.676 -3.185 398 HE1 TYR 45 1HE TYR 45 0.287 -6.645 -6.069 399 HE2 TYR 45 2HE TYR 45 2.353 -9.064 -3.183 400 HH TYR 45 HH TYR 45 3.238 -7.272 -5.054 401 H THR 46 H THR 46 -3.981 -11.626 -5.943 402 HA THR 46 HA THR 46 -5.783 -13.107 -5.774 403 HB THR 46 HB THR 46 -4.053 -15.525 -5.735 404 HG1 THR 46 1HG THR 46 -2.748 -14.598 -7.115 405 1HG2 THR 46 1HG2 THR 46 -5.594 -16.203 -7.509 406 2HG2 THR 46 2HG2 THR 46 -6.256 -14.571 -7.586 407 3HG2 THR 46 3HG2 THR 46 -6.506 -15.556 -6.145 408 H ARG 47 H ARG 47 -3.480 -12.697 -3.475 409 HA ARG 47 HA ARG 47 -4.227 -14.800 -1.609 410 1HB ARG 47 2HB ARG 47 -2.913 -13.514 0.026 411 2HB ARG 47 1HB ARG 47 -2.025 -13.678 -1.487 412 1HG ARG 47 2HG ARG 47 -1.769 -11.421 -1.386 413 2HG ARG 47 1HG ARG 47 -3.455 -11.338 -1.893 414 1HD ARG 47 2HD ARG 47 -3.105 -9.975 0.120 415 2HD ARG 47 1HD ARG 47 -4.153 -11.344 0.492 416 HE ARG 47 HE ARG 47 -2.480 -12.141 1.943 417 1HH1 ARG 47 1HH2 ARG 47 -1.233 -9.882 -0.344 418 2HH1 ARG 47 2HH2 ARG 47 0.347 -9.837 0.364 419 1HH2 ARG 47 1HH1 ARG 47 -0.426 -12.094 2.881 420 2HH2 ARG 47 2HH1 ARG 47 0.804 -11.089 2.190 421 H GLU 48 H GLU 48 -5.998 -14.812 -0.310 422 HA GLU 48 HA GLU 48 -7.709 -12.383 -0.264 423 1HB GLU 48 2HB GLU 48 -8.753 -14.541 -0.874 424 2HB GLU 48 1HB GLU 48 -8.272 -15.210 0.686 425 1HG GLU 48 2HG GLU 48 -9.708 -13.732 1.880 426 2HG GLU 48 1HG GLU 48 -9.953 -12.708 0.464 427 H ALA 49 H ALA 49 -7.632 -14.804 2.295 428 HA ALA 49 HA ALA 49 -7.342 -14.539 4.608 429 1HB ALA 49 1HB ALA 49 -4.981 -14.129 3.691 430 2HB ALA 49 2HB ALA 49 -5.323 -13.471 5.290 431 3HB ALA 49 3HB ALA 49 -5.322 -12.409 3.881 432 H GLY 50 H GLY 50 -9.491 -13.103 3.559 433 1HA GLY 50 2HA GLY 50 -10.995 -11.513 4.473 434 2HA GLY 50 1HA GLY 50 -9.706 -10.951 5.539 435 H VAL 51 H VAL 51 -11.621 -9.851 3.193 436 HA VAL 51 HA VAL 51 -9.979 -8.663 1.229 437 HB VAL 51 HB VAL 51 -11.779 -6.894 1.117 438 1HG1 VAL 51 1HG1 VAL 51 -13.527 -8.482 0.400 439 2HG1 VAL 51 2HG1 VAL 51 -12.696 -9.782 1.253 440 3HG1 VAL 51 3HG1 VAL 51 -11.934 -9.015 -0.139 441 1HG2 VAL 51 1HG2 VAL 51 -12.834 -8.503 3.464 442 2HG2 VAL 51 2HG2 VAL 51 -13.796 -7.342 2.551 443 3HG2 VAL 51 3HG2 VAL 51 -12.392 -6.797 3.469 444 H ARG 52 H ARG 52 -10.740 -7.565 4.517 445 HA ARG 52 HA ARG 52 -9.834 -4.985 4.613 446 1HB ARG 52 2HB ARG 52 -10.476 -6.520 6.569 447 2HB ARG 52 1HB ARG 52 -8.786 -7.026 6.582 448 1HG ARG 52 2HG ARG 52 -8.627 -5.262 8.059 449 2HG ARG 52 1HG ARG 52 -8.396 -4.368 6.556 450 1HD ARG 52 2HD ARG 52 -10.063 -3.136 7.681 451 2HD ARG 52 1HD ARG 52 -10.980 -4.128 6.547 452 HE ARG 52 HE ARG 52 -10.960 -5.713 8.768 453 1HH1 ARG 52 1HH2 ARG 52 -11.582 -2.363 8.238 454 2HH1 ARG 52 2HH2 ARG 52 -12.700 -2.227 9.555 455 1HH2 ARG 52 1HH1 ARG 52 -12.413 -5.554 10.488 456 2HH2 ARG 52 2HH1 ARG 52 -13.170 -4.033 10.828 457 H SER 53 H SER 53 -7.706 -7.853 4.516 458 HA SER 53 HA SER 53 -5.256 -6.359 4.585 459 1HB SER 53 2HB SER 53 -5.816 -9.085 3.396 460 2HB SER 53 1HB SER 53 -4.216 -8.428 3.731 461 HG SER 53 HG SER 53 -6.177 -9.385 5.459 462 H LEU 54 H LEU 54 -6.919 -7.917 1.829 463 HA LEU 54 HA LEU 54 -5.283 -6.968 -0.230 464 1HB LEU 54 2HB LEU 54 -7.824 -8.190 -0.048 465 2HB LEU 54 1HB LEU 54 -8.084 -6.730 -0.999 466 HG LEU 54 HG LEU 54 -5.872 -8.726 -1.570 467 1HD1 LEU 54 1HD1 LEU 54 -8.541 -8.425 -2.977 468 2HD1 LEU 54 2HD1 LEU 54 -8.174 -9.703 -1.818 469 3HD1 LEU 54 3HD1 LEU 54 -7.281 -9.606 -3.336 470 1HD2 LEU 54 1HD2 LEU 54 -7.029 -6.332 -3.023 471 2HD2 LEU 54 2HD2 LEU 54 -6.030 -7.539 -3.833 472 3HD2 LEU 54 3HD2 LEU 54 -5.360 -6.584 -2.512 473 H GLU 55 H GLU 55 -8.150 -5.342 1.148 474 HA GLU 55 HA GLU 55 -7.999 -2.945 -0.324 475 1HB GLU 55 2HB GLU 55 -8.780 -3.253 2.593 476 2HB GLU 55 1HB GLU 55 -9.220 -1.909 1.537 477 1HG GLU 55 2HG GLU 55 -10.498 -3.397 0.095 478 2HG GLU 55 1HG GLU 55 -9.971 -4.802 1.024 479 H ARG 56 H ARG 56 -6.242 -3.923 2.617 480 HA ARG 56 HA ARG 56 -4.997 -1.385 3.074 481 1HB ARG 56 2HB ARG 56 -4.966 -3.100 4.807 482 2HB ARG 56 1HB ARG 56 -4.059 -4.188 3.761 483 1HG ARG 56 2HG ARG 56 -2.626 -3.011 5.448 484 2HG ARG 56 1HG ARG 56 -2.137 -2.707 3.783 485 1HD ARG 56 2HD ARG 56 -2.326 -0.686 5.426 486 2HD ARG 56 1HD ARG 56 -2.984 -0.518 3.799 487 HE ARG 56 HE ARG 56 -5.160 -1.410 5.183 488 1HH1 ARG 56 1HH2 ARG 56 -2.778 1.009 5.789 489 2HH1 ARG 56 2HH2 ARG 56 -3.848 2.023 6.698 490 1HH2 ARG 56 1HH1 ARG 56 -6.571 -0.100 6.366 491 2HH2 ARG 56 2HH1 ARG 56 -5.995 1.395 7.024 492 H GLN 57 H GLN 57 -4.070 -4.172 1.079 493 HA GLN 57 HA GLN 57 -1.473 -3.232 0.351 494 1HB GLN 57 2HB GLN 57 -2.498 -5.543 -0.089 495 2HB GLN 57 1HB GLN 57 -3.304 -4.804 -1.473 496 1HG GLN 57 2HG GLN 57 -1.106 -4.088 -2.360 497 2HG GLN 57 1HG GLN 57 -0.310 -4.863 -0.990 498 1HE2 GLN 57 1HE2 GLN 57 -1.996 -5.471 -4.032 499 2HE2 GLN 57 2HE2 GLN 57 -1.680 -7.138 -4.083 500 H LEU 58 H LEU 58 -4.634 -2.815 -1.280 501 HA LEU 58 HA LEU 58 -3.606 -1.183 -3.406 502 1HB LEU 58 2HB LEU 58 -6.399 -0.960 -2.271 503 2HB LEU 58 1HB LEU 58 -5.875 -0.706 -3.937 504 HG LEU 58 HG LEU 58 -5.873 -3.342 -2.444 505 1HD1 LEU 58 1HD1 LEU 58 -7.418 -2.559 -4.924 506 2HD1 LEU 58 2HD1 LEU 58 -8.087 -2.405 -3.298 507 3HD1 LEU 58 3HD1 LEU 58 -7.639 -3.993 -3.922 508 1HD2 LEU 58 1HD2 LEU 58 -3.998 -3.421 -3.898 509 2HD2 LEU 58 2HD2 LEU 58 -4.837 -2.520 -5.161 510 3HD2 LEU 58 3HD2 LEU 58 -5.294 -4.189 -4.816 511 H ALA 59 H ALA 59 -5.119 -0.322 -0.282 512 HA ALA 59 HA ALA 59 -4.957 2.503 -0.583 513 1HB ALA 59 1HB ALA 59 -4.571 0.907 1.971 514 2HB ALA 59 2HB ALA 59 -6.141 1.330 1.287 515 3HB ALA 59 3HB ALA 59 -5.055 2.599 1.857 516 H ALA 60 H ALA 60 -2.586 0.099 0.457 517 HA ALA 60 HA ALA 60 -0.547 1.941 1.276 518 1HB ALA 60 1HB ALA 60 -0.614 -0.523 1.800 519 2HB ALA 60 2HB ALA 60 0.947 0.046 1.208 520 3HB ALA 60 3HB ALA 60 -0.137 -0.832 0.129 521 H ILE 61 H ILE 61 -0.824 0.087 -1.800 522 HA ILE 61 HA ILE 61 1.373 1.388 -3.057 523 HB ILE 61 HB ILE 61 -0.017 -0.713 -3.794 524 1HG1 ILE 61 2HG1 ILE 61 1.119 1.357 -5.693 525 2HG1 ILE 61 1HG1 ILE 61 1.951 -0.035 -5.001 526 1HG2 ILE 61 1HG2 ILE 61 -1.388 1.381 -5.491 527 2HG2 ILE 61 2HG2 ILE 61 -2.120 0.727 -4.028 528 3HG2 ILE 61 3HG2 ILE 61 -1.755 -0.341 -5.378 529 1HD1 ILE 61 1HD1 ILE 61 -0.224 -0.009 -7.095 530 2HD1 ILE 61 2HD1 ILE 61 0.152 -1.466 -6.175 531 3HD1 ILE 61 3HD1 ILE 61 1.384 -0.727 -7.197 532 H CYS 62 H CYS 62 -2.083 2.213 -2.987 533 HA CYS 62 HA CYS 62 -2.039 4.361 -4.826 534 1HB CYS 62 2HB CYS 62 -3.710 3.844 -2.362 535 2HB CYS 62 1HB CYS 62 -3.975 5.247 -3.397 536 HG CYS 62 HG CYS 62 -4.729 3.731 -5.298 537 H ARG 63 H ARG 63 -2.060 4.791 -1.255 538 HA ARG 63 HA ARG 63 -1.205 7.495 -1.362 539 1HB ARG 63 2HB ARG 63 -0.651 7.271 0.991 540 2HB ARG 63 1HB ARG 63 -2.157 6.414 0.658 541 1HG ARG 63 2HG ARG 63 -0.569 4.350 0.278 542 2HG ARG 63 1HG ARG 63 0.572 5.292 1.237 543 1HD ARG 63 2HD ARG 63 -2.209 4.415 2.064 544 2HD ARG 63 1HD ARG 63 -0.679 3.862 2.743 545 HE ARG 63 HE ARG 63 -0.651 6.624 3.105 546 1HH1 ARG 63 1HH2 ARG 63 -2.716 3.976 3.884 547 2HH1 ARG 63 2HH2 ARG 63 -3.309 4.695 5.345 548 1HH2 ARG 63 1HH1 ARG 63 -1.413 7.579 5.007 549 2HH2 ARG 63 2HH1 ARG 63 -2.571 6.735 5.980 550 H LYS 64 H LYS 64 0.728 4.510 -0.970 551 HA LYS 64 HA LYS 64 3.272 5.556 -0.607 552 1HB LYS 64 2HB LYS 64 2.845 3.132 -0.866 553 2HB LYS 64 1HB LYS 64 2.512 3.375 -2.582 554 1HG LYS 64 2HG LYS 64 4.784 4.123 -2.978 555 2HG LYS 64 1HG LYS 64 5.137 4.093 -1.250 556 1HD LYS 64 2HD LYS 64 4.585 1.616 -1.288 557 2HD LYS 64 1HD LYS 64 4.551 1.729 -3.047 558 1HE LYS 64 2HE LYS 64 6.891 2.760 -2.875 559 2HE LYS 64 1HE LYS 64 6.893 2.211 -1.199 560 1HZ LYS 64 1HZ LYS 64 7.720 0.713 -3.228 561 2HZ LYS 64 2HZ LYS 64 6.086 0.251 -3.186 562 3HZ LYS 64 3HZ LYS 64 7.061 0.065 -1.806 563 H ALA 65 H ALA 65 1.335 5.460 -3.547 564 HA ALA 65 HA ALA 65 3.344 6.732 -5.216 565 1HB ALA 65 1HB ALA 65 1.661 6.787 -6.898 566 2HB ALA 65 2HB ALA 65 0.361 6.756 -5.708 567 3HB ALA 65 3HB ALA 65 1.333 5.311 -5.988 568 H ALA 66 H ALA 66 0.552 7.825 -3.288 569 HA ALA 66 HA ALA 66 0.471 10.520 -4.162 570 1HB ALA 66 1HB ALA 66 -0.596 11.013 -2.017 571 2HB ALA 66 2HB ALA 66 0.005 9.497 -1.344 572 3HB ALA 66 3HB ALA 66 -1.198 9.474 -2.634 573 H LYS 67 H LYS 67 2.508 8.990 -1.677 574 HA LYS 67 HA LYS 67 3.789 11.484 -0.923 575 1HB LYS 67 2HB LYS 67 3.943 8.663 -0.154 576 2HB LYS 67 1HB LYS 67 5.532 9.424 -0.202 577 1HG LYS 67 2HG LYS 67 4.699 11.253 1.238 578 2HG LYS 67 1HG LYS 67 3.116 10.478 1.303 579 1HD LYS 67 2HD LYS 67 5.570 8.926 2.097 580 2HD LYS 67 1HD LYS 67 4.839 10.051 3.240 581 1HE LYS 67 2HE LYS 67 2.652 8.892 2.932 582 2HE LYS 67 1HE LYS 67 3.452 7.720 1.884 583 1HZ LYS 67 1HZ LYS 67 4.893 8.018 4.295 584 2HZ LYS 67 2HZ LYS 67 4.175 6.622 3.645 585 3HZ LYS 67 3HZ LYS 67 3.272 7.659 4.643 586 H ALA 68 H ALA 68 4.571 8.825 -3.124 587 HA ALA 68 HA ALA 68 7.213 9.521 -3.795 588 1HB ALA 68 1HB ALA 68 5.065 8.500 -5.679 589 2HB ALA 68 2HB ALA 68 6.051 7.488 -4.622 590 3HB ALA 68 3HB ALA 68 6.807 8.390 -5.935 591 H ILE 69 H ILE 69 4.523 11.484 -4.063 592 HA ILE 69 HA ILE 69 4.667 12.793 -6.513 593 HB ILE 69 HB ILE 69 3.136 13.340 -4.548 594 1HG1 ILE 69 2HG1 ILE 69 3.389 15.944 -5.093 595 2HG1 ILE 69 1HG1 ILE 69 4.481 15.337 -6.337 596 1HG2 ILE 69 1HG2 ILE 69 5.163 13.641 -2.990 597 2HG2 ILE 69 2HG2 ILE 69 3.874 14.835 -2.858 598 3HG2 ILE 69 3HG2 ILE 69 5.352 15.227 -3.736 599 1HD1 ILE 69 1HD1 ILE 69 1.544 14.733 -5.972 600 2HD1 ILE 69 2HD1 ILE 69 2.584 13.711 -6.965 601 3HD1 ILE 69 3HD1 ILE 69 2.352 15.408 -7.386 602 H VAL 70 H VAL 70 6.968 12.947 -3.854 603 HA VAL 70 HA VAL 70 8.436 15.241 -4.619 604 HB VAL 70 HB VAL 70 9.442 12.652 -3.409 605 1HG1 VAL 70 1HG1 VAL 70 11.272 14.198 -2.547 606 2HG1 VAL 70 2HG1 VAL 70 10.699 15.389 -3.714 607 3HG1 VAL 70 3HG1 VAL 70 11.337 13.841 -4.272 608 1HG2 VAL 70 1HG2 VAL 70 8.539 15.281 -2.192 609 2HG2 VAL 70 2HG2 VAL 70 9.278 13.959 -1.288 610 3HG2 VAL 70 3HG2 VAL 70 7.709 13.731 -2.060 611 H ALA 71 H ALA 71 8.351 12.023 -6.004 612 HA ALA 71 HA ALA 71 10.769 12.265 -7.562 613 1HB ALA 71 1HB ALA 71 9.867 10.064 -7.210 614 2HB ALA 71 2HB ALA 71 9.704 10.409 -8.931 615 3HB ALA 71 3HB ALA 71 8.301 10.536 -7.870 616 H GLU 72 H GLU 72 10.776 14.229 -8.699 617 HA GLU 72 HA GLU 72 10.256 15.699 -10.449 618 1HB GLU 72 2HB GLU 72 10.335 13.397 -11.645 619 2HB GLU 72 1HB GLU 72 8.574 13.490 -11.636 620 1HG GLU 72 2HG GLU 72 9.254 14.440 -13.716 621 2HG GLU 72 1HG GLU 72 8.833 15.808 -12.686 622 H GLU 73 H GLU 73 8.896 17.323 -9.854 623 HA GLU 73 HA GLU 73 6.395 17.055 -8.590 624 1HB GLU 73 2HB GLU 73 7.376 19.277 -10.408 625 2HB GLU 73 1HB GLU 73 5.967 19.395 -9.353 626 1HG GLU 73 2HG GLU 73 7.328 19.102 -7.382 627 2HG GLU 73 1HG GLU 73 8.747 18.720 -8.357 628 H ARG 74 H ARG 74 5.208 15.395 -9.696 629 HA ARG 74 HA ARG 74 4.149 16.191 -12.385 630 1HB ARG 74 2HB ARG 74 4.569 13.491 -11.091 631 2HB ARG 74 1HB ARG 74 3.508 13.700 -12.485 632 1HG ARG 74 2HG ARG 74 5.399 14.729 -13.736 633 2HG ARG 74 1HG ARG 74 6.453 14.413 -12.357 634 1HD ARG 74 2HD ARG 74 6.797 12.582 -13.845 635 2HD ARG 74 1HD ARG 74 5.749 11.960 -12.570 636 HE ARG 74 HE ARG 74 4.065 11.677 -14.192 637 1HH1 ARG 74 1HH2 ARG 74 6.485 13.906 -15.223 638 2HH1 ARG 74 2HH2 ARG 74 5.833 14.081 -16.818 639 1HH2 ARG 74 1HH1 ARG 74 3.199 11.893 -16.269 640 2HH2 ARG 74 2HH1 ARG 74 3.972 12.941 -17.410 641 H LYS 75 H LYS 75 1.982 16.603 -12.519 642 HA LYS 75 HA LYS 75 0.389 16.452 -10.047 643 1HB LYS 75 2HB LYS 75 -1.382 17.469 -11.677 644 2HB LYS 75 1HB LYS 75 -0.001 18.458 -11.203 645 1HG LYS 75 2HG LYS 75 1.140 18.023 -13.259 646 2HG LYS 75 1HG LYS 75 0.005 16.744 -13.696 647 1HD LYS 75 2HD LYS 75 -1.744 18.281 -14.125 648 2HD LYS 75 1HD LYS 75 -0.927 19.583 -13.259 649 1HE LYS 75 2HE LYS 75 -0.869 19.612 -15.860 650 2HE LYS 75 1HE LYS 75 0.630 19.926 -14.987 651 1HZ LYS 75 1HZ LYS 75 1.191 18.351 -16.590 652 2HZ LYS 75 2HZ LYS 75 -0.221 17.439 -16.338 653 3HZ LYS 75 3HZ LYS 75 1.013 17.440 -15.170 654 H ARG 76 H ARG 76 -1.284 15.013 -9.695 655 HA ARG 76 HA ARG 76 -2.575 13.077 -9.985 656 1HB ARG 76 2HB ARG 76 -2.444 13.631 -12.952 657 2HB ARG 76 1HB ARG 76 -3.747 12.876 -12.036 658 1HG ARG 76 2HG ARG 76 -3.946 15.110 -10.784 659 2HG ARG 76 1HG ARG 76 -2.934 15.783 -12.063 660 1HD ARG 76 2HD ARG 76 -5.714 14.655 -12.250 661 2HD ARG 76 1HD ARG 76 -5.083 16.167 -12.903 662 HE ARG 76 HE ARG 76 -4.904 13.533 -14.177 663 1HH1 ARG 76 1HH2 ARG 76 -3.679 16.743 -13.882 664 2HH1 ARG 76 2HH2 ARG 76 -2.981 16.764 -15.467 665 1HH2 ARG 76 1HH1 ARG 76 -3.997 13.543 -16.247 666 2HH2 ARG 76 2HH1 ARG 76 -3.160 14.953 -16.805 667 H ILE 77 H ILE 77 -1.503 11.192 -9.608 668 HA ILE 77 HA ILE 77 0.696 10.392 -11.440 669 HB ILE 77 HB ILE 77 -0.193 9.245 -8.775 670 1HG1 ILE 77 2HG1 ILE 77 2.339 10.763 -9.439 671 2HG1 ILE 77 1HG1 ILE 77 0.882 11.581 -8.874 672 1HG2 ILE 77 1HG2 ILE 77 2.045 8.549 -10.680 673 2HG2 ILE 77 2HG2 ILE 77 0.834 7.475 -9.982 674 3HG2 ILE 77 3HG2 ILE 77 2.113 8.139 -8.966 675 1HD1 ILE 77 1HD1 ILE 77 2.301 11.115 -6.957 676 2HD1 ILE 77 2HD1 ILE 77 2.423 9.416 -7.415 677 3HD1 ILE 77 3HD1 ILE 77 0.880 10.075 -6.871 678 H THR 78 H THR 78 0.156 9.088 -13.106 679 HA THR 78 HA THR 78 -2.358 7.589 -13.100 680 HB THR 78 HB THR 78 -0.133 7.377 -15.137 681 HG1 THR 78 1HG THR 78 -1.299 9.571 -14.422 682 1HG2 THR 78 1HG2 THR 78 -1.996 5.771 -15.310 683 2HG2 THR 78 2HG2 THR 78 -2.018 6.912 -16.654 684 3HG2 THR 78 3HG2 THR 78 -3.148 7.107 -15.314 685 H VAL 79 H VAL 79 -2.584 5.403 -12.743 686 HA VAL 79 HA VAL 79 -0.077 3.828 -12.271 687 HB VAL 79 HB VAL 79 -2.665 3.561 -10.717 688 1HG1 VAL 79 1HG1 VAL 79 -1.085 2.289 -9.171 689 2HG1 VAL 79 2HG1 VAL 79 0.096 2.341 -10.479 690 3HG1 VAL 79 3HG1 VAL 79 -1.437 1.502 -10.710 691 1HG2 VAL 79 1HG2 VAL 79 -1.367 4.613 -8.857 692 2HG2 VAL 79 2HG2 VAL 79 -1.632 5.717 -10.207 693 3HG2 VAL 79 3HG2 VAL 79 -0.060 4.944 -9.995 694 H THR 80 H THR 80 -0.136 2.700 -14.228 695 HA THR 80 HA THR 80 -2.659 1.341 -15.005 696 HB THR 80 HB THR 80 -0.027 1.135 -16.472 697 HG1 THR 80 1HG THR 80 -0.547 3.352 -16.032 698 1HG2 THR 80 1HG2 THR 80 -2.821 1.319 -17.592 699 2HG2 THR 80 2HG2 THR 80 -2.164 -0.215 -17.024 700 3HG2 THR 80 3HG2 THR 80 -1.378 0.644 -18.346 701 H GLU 81 H GLU 81 -0.521 -0.642 -16.282 702 HA GLU 81 HA GLU 81 -0.589 -2.501 -13.946 703 1HB GLU 81 2HB GLU 81 -0.269 -4.286 -15.623 704 2HB GLU 81 1HB GLU 81 -1.684 -3.305 -16.006 705 1HG GLU 81 2HG GLU 81 -0.101 -1.913 -17.488 706 2HG GLU 81 1HG GLU 81 1.038 -3.249 -17.314 707 H LYS 82 H LYS 82 1.546 -0.856 -16.180 708 HA LYS 82 HA LYS 82 3.902 -2.411 -15.406 709 1HB LYS 82 2HB LYS 82 3.848 0.288 -16.779 710 2HB LYS 82 1HB LYS 82 5.134 -0.916 -16.828 711 1HG LYS 82 2HG LYS 82 2.338 -1.382 -17.906 712 2HG LYS 82 1HG LYS 82 3.708 -0.882 -18.899 713 1HD LYS 82 2HD LYS 82 4.934 -2.937 -17.968 714 2HD LYS 82 1HD LYS 82 3.360 -3.472 -17.379 715 1HE LYS 82 2HE LYS 82 2.517 -3.112 -19.778 716 2HE LYS 82 1HE LYS 82 4.217 -3.006 -20.238 717 1HZ LYS 82 1HZ LYS 82 4.272 -5.204 -18.770 718 2HZ LYS 82 2HZ LYS 82 3.964 -5.223 -20.441 719 3HZ LYS 82 3HZ LYS 82 2.676 -5.304 -19.336 720 H ASN 83 H ASN 83 2.682 0.882 -14.762 721 HA ASN 83 HA ASN 83 4.712 1.862 -13.127 722 1HB ASN 83 2HB ASN 83 1.814 2.193 -12.354 723 2HB ASN 83 1HB ASN 83 3.128 3.362 -12.224 724 1HD2 ASN 83 1HD2 ASN 83 4.029 2.438 -15.053 725 2HD2 ASN 83 2HD2 ASN 83 2.981 3.275 -16.093 726 H LEU 84 H LEU 84 2.134 -0.415 -12.262 727 HA LEU 84 HA LEU 84 2.311 -0.604 -9.522 728 1HB LEU 84 2HB LEU 84 2.455 -3.072 -11.267 729 2HB LEU 84 1HB LEU 84 1.685 -2.908 -9.689 730 HG LEU 84 HG LEU 84 0.809 -1.608 -12.284 731 1HD1 LEU 84 1HD1 LEU 84 0.069 -3.878 -12.182 732 2HD1 LEU 84 2HD1 LEU 84 -1.310 -2.896 -11.688 733 3HD1 LEU 84 3HD1 LEU 84 -0.346 -3.738 -10.474 734 1HD2 LEU 84 1HD2 LEU 84 -0.036 -1.178 -9.415 735 2HD2 LEU 84 2HD2 LEU 84 -1.139 -0.853 -10.752 736 3HD2 LEU 84 3HD2 LEU 84 0.380 0.033 -10.628 737 H GLN 85 H GLN 85 4.425 -2.564 -11.660 738 HA GLN 85 HA GLN 85 6.182 -3.568 -9.765 739 1HB GLN 85 2HB GLN 85 6.821 -2.489 -12.527 740 2HB GLN 85 1HB GLN 85 7.953 -3.432 -11.557 741 1HG GLN 85 2HG GLN 85 6.250 -5.263 -11.437 742 2HG GLN 85 1HG GLN 85 5.231 -4.335 -12.538 743 1HE2 GLN 85 1HE2 GLN 85 8.790 -4.943 -12.536 744 2HE2 GLN 85 2HE2 GLN 85 8.829 -5.570 -14.113 745 H ASP 86 H ASP 86 6.189 -0.308 -11.170 746 HA ASP 86 HA ASP 86 8.613 0.580 -9.939 747 1HB ASP 86 2HB ASP 86 7.202 1.718 -11.793 748 2HB ASP 86 1HB ASP 86 6.251 2.385 -10.466 749 H PHE 87 H PHE 87 5.232 0.599 -8.819 750 HA PHE 87 HA PHE 87 5.939 1.977 -6.335 751 1HB PHE 87 2HB PHE 87 3.402 0.556 -7.199 752 2HB PHE 87 1HB PHE 87 3.574 1.469 -5.701 753 HD1 PHE 87 1HD PHE 87 4.665 3.917 -6.070 754 HD2 PHE 87 2HD PHE 87 2.481 1.688 -9.023 755 HE1 PHE 87 1HE PHE 87 4.163 6.016 -7.286 756 HE2 PHE 87 2HE PHE 87 1.980 3.788 -10.236 757 HZ PHE 87 HZ PHE 87 2.820 5.953 -9.369 758 H ILE 88 H ILE 88 4.458 -1.240 -6.892 759 HA ILE 88 HA ILE 88 5.370 -2.191 -4.310 760 HB ILE 88 HB ILE 88 3.716 -3.186 -6.517 761 1HG1 ILE 88 2HG1 ILE 88 3.670 -4.007 -3.617 762 2HG1 ILE 88 1HG1 ILE 88 3.061 -2.439 -4.141 763 1HG2 ILE 88 1HG2 ILE 88 5.478 -5.098 -4.975 764 2HG2 ILE 88 2HG2 ILE 88 5.334 -4.943 -6.727 765 3HG2 ILE 88 3HG2 ILE 88 3.994 -5.591 -5.788 766 1HD1 ILE 88 1HD1 ILE 88 2.112 -4.814 -5.672 767 2HD1 ILE 88 2HD1 ILE 88 1.245 -3.347 -5.215 768 3HD1 ILE 88 3HD1 ILE 88 1.495 -4.628 -4.029 769 H GLY 89 H GLY 89 6.256 -3.070 -7.673 770 1HA GLY 89 2HA GLY 89 8.251 -3.977 -8.514 771 2HA GLY 89 1HA GLY 89 9.053 -3.154 -7.174 772 H LYS 90 H LYS 90 6.711 -5.857 -7.308 773 HA LYS 90 HA LYS 90 8.618 -7.852 -6.508 774 1HB LYS 90 2HB LYS 90 8.442 -6.455 -4.393 775 2HB LYS 90 1HB LYS 90 6.751 -6.946 -4.299 776 1HG LYS 90 2HG LYS 90 7.325 -9.243 -4.032 777 2HG LYS 90 1HG LYS 90 8.996 -8.959 -4.519 778 1HD LYS 90 2HD LYS 90 9.439 -7.696 -2.501 779 2HD LYS 90 1HD LYS 90 7.737 -7.755 -2.040 780 1HE LYS 90 2HE LYS 90 9.261 -9.448 -0.881 781 2HE LYS 90 1HE LYS 90 7.821 -10.110 -1.654 782 1HZ LYS 90 1HZ LYS 90 9.029 -11.141 -3.228 783 2HZ LYS 90 2HZ LYS 90 10.272 -11.043 -2.074 784 3HZ LYS 90 3HZ LYS 90 10.182 -9.902 -3.330 785 H ARG 91 H ARG 91 7.439 -9.932 -5.918 786 HA ARG 91 HA ARG 91 4.563 -10.022 -6.431 787 1HB ARG 91 2HB ARG 91 4.712 -11.427 -8.447 788 2HB ARG 91 1HB ARG 91 5.453 -9.853 -8.734 789 1HG ARG 91 2HG ARG 91 7.683 -10.861 -8.197 790 2HG ARG 91 1HG ARG 91 6.898 -12.437 -8.083 791 1HD ARG 91 2HD ARG 91 6.027 -12.037 -10.443 792 2HD ARG 91 1HD ARG 91 7.127 -10.660 -10.522 793 HE ARG 91 HE ARG 91 8.528 -13.044 -9.690 794 1HH1 ARG 91 1HH2 ARG 91 7.106 -11.397 -12.365 795 2HH1 ARG 91 2HH2 ARG 91 8.156 -12.118 -13.538 796 1HH2 ARG 91 1HH1 ARG 91 9.907 -13.995 -11.208 797 2HH2 ARG 91 2HH1 ARG 91 9.741 -13.590 -12.883 798 H ILE 92 H ILE 92 3.951 -12.511 -6.673 799 HA ILE 92 HA ILE 92 5.788 -14.194 -5.042 800 HB ILE 92 HB ILE 92 2.829 -13.937 -4.439 801 1HG1 ILE 92 2HG1 ILE 92 5.219 -12.660 -3.071 802 2HG1 ILE 92 1HG1 ILE 92 3.914 -11.815 -3.904 803 1HG2 ILE 92 1HG2 ILE 92 4.123 -16.066 -3.865 804 2HG2 ILE 92 2HG2 ILE 92 3.322 -15.266 -2.514 805 3HG2 ILE 92 3HG2 ILE 92 5.061 -15.080 -2.744 806 1HD1 ILE 92 1HD1 ILE 92 3.780 -13.374 -1.323 807 2HD1 ILE 92 2HD1 ILE 92 2.330 -12.993 -2.252 808 3HD1 ILE 92 3HD1 ILE 92 3.332 -11.693 -1.608 809 H PHE 93 H PHE 93 2.778 -14.034 -6.945 810 HA PHE 93 HA PHE 93 2.994 -16.921 -7.565 811 1HB PHE 93 2HB PHE 93 0.952 -14.846 -8.422 812 2HB PHE 93 1HB PHE 93 0.846 -16.578 -8.743 813 HD1 PHE 93 1HD PHE 93 1.068 -14.065 -5.991 814 HD2 PHE 93 2HD PHE 93 -0.022 -18.065 -7.120 815 HE1 PHE 93 1HE PHE 93 0.041 -14.415 -3.761 816 HE2 PHE 93 2HE PHE 93 -1.049 -18.414 -4.889 817 HZ PHE 93 HZ PHE 93 -1.017 -16.589 -3.210 818 H ARG 94 H ARG 94 3.939 -17.646 -9.412 819 HA ARG 94 HA ARG 94 4.598 -15.635 -11.530 820 1HB ARG 94 2HB ARG 94 6.530 -16.767 -10.392 821 2HB ARG 94 1HB ARG 94 5.927 -18.309 -11.002 822 1HG ARG 94 2HG ARG 94 6.148 -17.524 -13.307 823 2HG ARG 94 1HG ARG 94 6.664 -15.935 -12.740 824 1HD ARG 94 2HD ARG 94 8.130 -18.517 -12.128 825 2HD ARG 94 1HD ARG 94 8.575 -17.407 -13.425 826 HE ARG 94 HE ARG 94 8.396 -16.044 -10.874 827 1HH1 ARG 94 1HH2 ARG 94 10.305 -18.095 -12.882 828 2HH1 ARG 94 2HH2 ARG 94 11.812 -17.594 -12.189 829 1HH2 ARG 94 1HH1 ARG 94 10.351 -15.377 -9.958 830 2HH2 ARG 94 2HH1 ARG 94 11.837 -16.054 -10.533 831 H TYR 95 H TYR 95 2.635 -15.864 -12.708 832 HA TYR 95 HA TYR 95 1.134 -16.886 -14.201 833 1HB TYR 95 2HB TYR 95 3.774 -18.233 -14.756 834 2HB TYR 95 1HB TYR 95 2.323 -18.735 -15.622 835 HD1 TYR 95 1HD TYR 95 1.394 -17.400 -17.366 836 HD2 TYR 95 2HD TYR 95 4.509 -15.819 -14.867 837 HE1 TYR 95 1HE TYR 95 1.626 -15.455 -18.886 838 HE2 TYR 95 2HE TYR 95 4.742 -13.873 -16.387 839 HH TYR 95 HH TYR 95 2.929 -12.695 -18.151 Start of MODEL 6 1 H ALA 1 H ALA 1 -22.747 -10.899 6.755 2 HA ALA 1 HA ALA 1 -20.475 -11.779 6.666 3 1HB ALA 1 1HB ALA 1 -20.556 -13.807 8.149 4 2HB ALA 1 2HB ALA 1 -22.312 -13.802 7.981 5 3HB ALA 1 3HB ALA 1 -21.496 -12.448 8.764 6 H GLY 2 H GLY 2 -19.934 -12.233 4.487 7 1HA GLY 2 2HA GLY 2 -19.355 -14.899 3.802 8 2HA GLY 2 1HA GLY 2 -20.906 -14.525 3.048 9 H TYR 3 H TYR 3 -17.480 -13.840 3.028 10 HA TYR 3 HA TYR 3 -17.677 -11.734 1.012 11 1HB TYR 3 2HB TYR 3 -15.431 -13.251 2.318 12 2HB TYR 3 1HB TYR 3 -15.111 -12.313 0.860 13 HD1 TYR 3 1HD TYR 3 -15.286 -12.168 4.387 14 HD2 TYR 3 2HD TYR 3 -16.135 -9.862 0.863 15 HE1 TYR 3 1HE TYR 3 -15.199 -10.084 5.729 16 HE2 TYR 3 2HE TYR 3 -16.050 -7.779 2.206 17 HH TYR 3 HH TYR 3 -16.184 -7.010 4.415 18 H THR 4 H THR 4 -18.441 -12.351 -0.966 19 HA THR 4 HA THR 4 -17.551 -14.963 -2.097 20 HB THR 4 HB THR 4 -19.328 -14.459 -3.832 21 HG1 THR 4 1HG THR 4 -20.785 -12.799 -3.244 22 1HG2 THR 4 1HG2 THR 4 -21.126 -15.159 -2.424 23 2HG2 THR 4 2HG2 THR 4 -20.400 -14.403 -1.006 24 3HG2 THR 4 3HG2 THR 4 -19.663 -15.840 -1.714 25 H GLU 5 H GLU 5 -16.593 -15.021 -4.201 26 HA GLU 5 HA GLU 5 -14.607 -13.166 -4.784 27 1HB GLU 5 2HB GLU 5 -16.117 -15.154 -6.432 28 2HB GLU 5 1HB GLU 5 -15.097 -13.995 -7.283 29 1HG GLU 5 2HG GLU 5 -14.055 -15.566 -4.925 30 2HG GLU 5 1HG GLU 5 -14.009 -16.225 -6.560 31 H ILE 6 H ILE 6 -17.948 -13.164 -6.050 32 HA ILE 6 HA ILE 6 -17.611 -10.819 -7.662 33 HB ILE 6 HB ILE 6 -20.193 -10.725 -7.355 34 1HG1 ILE 6 2HG1 ILE 6 -19.692 -13.488 -6.230 35 2HG1 ILE 6 1HG1 ILE 6 -20.024 -12.096 -5.200 36 1HG2 ILE 6 1HG2 ILE 6 -19.048 -11.695 -9.320 37 2HG2 ILE 6 2HG2 ILE 6 -20.475 -12.636 -8.885 38 3HG2 ILE 6 3HG2 ILE 6 -18.868 -13.220 -8.453 39 1HD1 ILE 6 1HD1 ILE 6 -21.834 -12.926 -7.478 40 2HD1 ILE 6 2HD1 ILE 6 -22.180 -11.761 -6.200 41 3HD1 ILE 6 3HD1 ILE 6 -22.060 -13.479 -5.819 42 H GLU 7 H GLU 7 -18.693 -11.281 -4.300 43 HA GLU 7 HA GLU 7 -19.443 -8.583 -3.798 44 1HB GLU 7 2HB GLU 7 -18.474 -10.847 -2.068 45 2HB GLU 7 1HB GLU 7 -18.663 -9.239 -1.369 46 1HG GLU 7 2HG GLU 7 -20.993 -9.172 -1.921 47 2HG GLU 7 1HG GLU 7 -20.859 -10.605 -2.940 48 H LYS 8 H LYS 8 -16.370 -10.158 -2.845 49 HA LYS 8 HA LYS 8 -14.963 -7.850 -2.125 50 1HB LYS 8 2HB LYS 8 -13.827 -10.249 -3.589 51 2HB LYS 8 1HB LYS 8 -12.914 -9.100 -2.610 52 1HG LYS 8 2HG LYS 8 -14.365 -9.726 -0.650 53 2HG LYS 8 1HG LYS 8 -15.074 -10.997 -1.645 54 1HD LYS 8 2HD LYS 8 -12.081 -10.824 -1.361 55 2HD LYS 8 1HD LYS 8 -13.039 -11.566 -0.081 56 1HE LYS 8 2HE LYS 8 -13.261 -12.375 -2.991 57 2HE LYS 8 1HE LYS 8 -12.195 -13.180 -1.840 58 1HZ LYS 8 1HZ LYS 8 -14.854 -12.847 -0.836 59 2HZ LYS 8 2HZ LYS 8 -13.896 -14.248 -0.924 60 3HZ LYS 8 3HZ LYS 8 -14.820 -13.761 -2.265 61 H LEU 9 H LEU 9 -15.422 -9.208 -5.391 62 HA LEU 9 HA LEU 9 -13.655 -7.382 -6.709 63 1HB LEU 9 2HB LEU 9 -14.938 -9.551 -7.559 64 2HB LEU 9 1HB LEU 9 -16.130 -8.367 -8.089 65 HG LEU 9 HG LEU 9 -13.182 -8.355 -8.808 66 1HD1 LEU 9 1HD1 LEU 9 -14.713 -10.114 -9.871 67 2HD1 LEU 9 2HD1 LEU 9 -13.853 -9.052 -10.987 68 3HD1 LEU 9 3HD1 LEU 9 -15.557 -8.767 -10.634 69 1HD2 LEU 9 1HD2 LEU 9 -15.460 -6.448 -9.309 70 2HD2 LEU 9 2HD2 LEU 9 -14.164 -6.594 -10.496 71 3HD2 LEU 9 3HD2 LEU 9 -13.796 -6.093 -8.847 72 H GLU 10 H GLU 10 -17.184 -7.233 -6.157 73 HA GLU 10 HA GLU 10 -17.646 -4.774 -7.477 74 1HB GLU 10 2HB GLU 10 -19.006 -6.093 -5.124 75 2HB GLU 10 1HB GLU 10 -19.576 -4.563 -5.792 76 1HG GLU 10 2HG GLU 10 -19.160 -7.056 -7.463 77 2HG GLU 10 1HG GLU 10 -20.710 -6.615 -6.748 78 H ILE 11 H ILE 11 -17.119 -5.245 -3.945 79 HA ILE 11 HA ILE 11 -16.902 -2.431 -3.428 80 HB ILE 11 HB ILE 11 -15.520 -3.410 -1.360 81 1HG1 ILE 11 2HG1 ILE 11 -17.189 -5.826 -1.948 82 2HG1 ILE 11 1HG1 ILE 11 -15.620 -5.700 -2.739 83 1HG2 ILE 11 1HG2 ILE 11 -18.486 -3.786 -1.855 84 2HG2 ILE 11 2HG2 ILE 11 -17.703 -2.371 -1.152 85 3HG2 ILE 11 3HG2 ILE 11 -17.723 -3.897 -0.269 86 1HD1 ILE 11 1HD1 ILE 11 -15.873 -6.797 -0.315 87 2HD1 ILE 11 2HD1 ILE 11 -15.740 -5.114 0.191 88 3HD1 ILE 11 3HD1 ILE 11 -14.449 -5.855 -0.756 89 H VAL 12 H VAL 12 -14.252 -4.854 -3.378 90 HA VAL 12 HA VAL 12 -12.065 -3.217 -3.200 91 HB VAL 12 HB VAL 12 -12.382 -5.549 -5.111 92 1HG1 VAL 12 1HG1 VAL 12 -9.852 -5.665 -4.804 93 2HG1 VAL 12 2HG1 VAL 12 -9.951 -4.033 -4.141 94 3HG1 VAL 12 3HG1 VAL 12 -10.442 -4.340 -5.807 95 1HG2 VAL 12 1HG2 VAL 12 -11.020 -5.525 -2.416 96 2HG2 VAL 12 2HG2 VAL 12 -11.612 -6.911 -3.332 97 3HG2 VAL 12 3HG2 VAL 12 -12.753 -5.814 -2.553 98 H LYS 13 H LYS 13 -14.021 -3.645 -6.138 99 HA LYS 13 HA LYS 13 -12.233 -1.883 -7.637 100 1HB LYS 13 2HB LYS 13 -13.596 -3.778 -8.659 101 2HB LYS 13 1HB LYS 13 -15.015 -2.752 -8.446 102 1HG LYS 13 2HG LYS 13 -13.648 -0.945 -9.705 103 2HG LYS 13 1HG LYS 13 -12.600 -2.275 -10.190 104 1HD LYS 13 2HD LYS 13 -14.111 -2.294 -11.951 105 2HD LYS 13 1HD LYS 13 -14.910 -3.417 -10.852 106 1HE LYS 13 2HE LYS 13 -16.191 -1.433 -9.922 107 2HE LYS 13 1HE LYS 13 -15.527 -0.477 -11.246 108 1HZ LYS 13 1HZ LYS 13 -17.322 -1.199 -12.342 109 2HZ LYS 13 2HZ LYS 13 -17.590 -2.499 -11.280 110 3HZ LYS 13 3HZ LYS 13 -16.450 -2.641 -12.532 111 H ASP 14 H ASP 14 -15.621 -1.620 -6.503 112 HA ASP 14 HA ASP 14 -15.896 1.126 -7.274 113 1HB ASP 14 2HB ASP 14 -17.362 -0.570 -5.243 114 2HB ASP 14 1HB ASP 14 -17.819 1.095 -5.610 115 H HIS 15 H HIS 15 -15.777 -0.087 -3.914 116 HA HIS 15 HA HIS 15 -15.339 2.258 -2.572 117 1HB HIS 15 2HB HIS 15 -14.794 0.960 -0.783 118 2HB HIS 15 1HB HIS 15 -15.269 -0.351 -1.856 119 HD1 HIS 15 1HD HIS 15 -12.726 0.324 0.403 120 HD2 HIS 15 2HD HIS 15 -12.621 -0.964 -3.574 121 HE1 HIS 15 1HE HIS 15 -10.481 -0.798 0.068 122 HE2 HIS 15 2HE HIS 15 -10.411 -1.589 -2.339 123 H LEU 16 H LEU 16 -12.869 0.445 -4.352 124 HA LEU 16 HA LEU 16 -10.515 1.626 -3.622 125 1HB LEU 16 2HB LEU 16 -11.439 0.256 -5.887 126 2HB LEU 16 1HB LEU 16 -10.762 1.744 -6.533 127 HG LEU 16 HG LEU 16 -9.103 -0.112 -6.385 128 1HD1 LEU 16 1HD1 LEU 16 -8.112 2.016 -6.422 129 2HD1 LEU 16 2HD1 LEU 16 -7.403 1.271 -4.990 130 3HD1 LEU 16 3HD1 LEU 16 -8.719 2.430 -4.819 131 1HD2 LEU 16 1HD2 LEU 16 -8.660 -1.257 -4.477 132 2HD2 LEU 16 2HD2 LEU 16 -10.243 -0.681 -3.969 133 3HD2 LEU 16 3HD2 LEU 16 -8.790 0.177 -3.460 134 H LEU 17 H LEU 17 -13.014 3.212 -5.605 135 HA LEU 17 HA LEU 17 -11.445 5.532 -6.195 136 1HB LEU 17 2HB LEU 17 -14.294 4.761 -6.424 137 2HB LEU 17 1HB LEU 17 -14.001 6.496 -6.291 138 HG LEU 17 HG LEU 17 -12.365 4.840 -8.204 139 1HD1 LEU 17 1HD1 LEU 17 -15.189 5.849 -8.589 140 2HD1 LEU 17 2HD1 LEU 17 -14.567 4.224 -8.875 141 3HD1 LEU 17 3HD1 LEU 17 -14.105 5.546 -9.947 142 1HD2 LEU 17 1HD2 LEU 17 -13.344 7.717 -8.174 143 2HD2 LEU 17 2HD2 LEU 17 -12.323 7.006 -9.424 144 3HD2 LEU 17 3HD2 LEU 17 -11.712 7.178 -7.780 145 HA PRO 18 HA PRO 18 -13.619 7.908 -2.616 146 1HB PRO 18 2HB PRO 18 -15.102 6.394 -0.832 147 2HB PRO 18 1HB PRO 18 -15.787 7.260 -2.221 148 1HG PRO 18 2HG PRO 18 -15.050 4.385 -1.963 149 2HG PRO 18 1HG PRO 18 -16.473 5.119 -2.724 150 1HD PRO 18 2HD PRO 18 -14.409 4.229 -4.210 151 2HD PRO 18 1HD PRO 18 -15.310 5.695 -4.662 152 H LYS 19 H LYS 19 -12.884 4.550 -1.603 153 HA LYS 19 HA LYS 19 -11.830 5.068 0.930 154 1HB LYS 19 2HB LYS 19 -12.044 2.838 -0.550 155 2HB LYS 19 1HB LYS 19 -10.326 3.133 -0.791 156 1HG LYS 19 2HG LYS 19 -11.488 3.219 1.992 157 2HG LYS 19 1HG LYS 19 -11.103 1.672 1.244 158 1HD LYS 19 2HD LYS 19 -8.798 2.225 1.029 159 2HD LYS 19 1HD LYS 19 -9.098 3.929 1.363 160 1HE LYS 19 2HE LYS 19 -9.791 3.357 3.664 161 2HE LYS 19 1HE LYS 19 -9.474 1.656 3.332 162 1HZ LYS 19 1HZ LYS 19 -7.545 2.431 4.354 163 2HZ LYS 19 2HZ LYS 19 -7.544 3.889 3.481 164 3HZ LYS 19 3HZ LYS 19 -7.155 2.429 2.703 165 H GLN 20 H GLN 20 -9.614 4.503 -1.815 166 HA GLN 20 HA GLN 20 -7.371 5.727 -0.648 167 1HB GLN 20 2HB GLN 20 -8.001 5.804 -3.606 168 2HB GLN 20 1HB GLN 20 -6.409 5.796 -2.846 169 1HG GLN 20 2HG GLN 20 -8.429 3.539 -2.678 170 2HG GLN 20 1HG GLN 20 -7.012 3.560 -3.727 171 1HE2 GLN 20 1HE2 GLN 20 -7.335 1.556 -1.701 172 2HE2 GLN 20 2HE2 GLN 20 -6.139 1.796 -0.519 173 H ILE 21 H ILE 21 -9.622 7.231 -2.986 174 HA ILE 21 HA ILE 21 -8.558 9.780 -3.097 175 HB ILE 21 HB ILE 21 -11.428 8.861 -3.089 176 1HG1 ILE 21 2HG1 ILE 21 -9.982 8.304 -5.032 177 2HG1 ILE 21 1HG1 ILE 21 -11.271 9.418 -5.480 178 1HG2 ILE 21 1HG2 ILE 21 -10.345 11.671 -3.250 179 2HG2 ILE 21 2HG2 ILE 21 -11.685 11.064 -2.279 180 3HG2 ILE 21 3HG2 ILE 21 -11.866 11.231 -4.026 181 1HD1 ILE 21 1HD1 ILE 21 -9.298 11.187 -4.790 182 2HD1 ILE 21 2HD1 ILE 21 -9.562 10.602 -6.430 183 3HD1 ILE 21 3HD1 ILE 21 -8.341 9.846 -5.412 184 H LYS 22 H LYS 22 -10.524 8.467 -0.428 185 HA LYS 22 HA LYS 22 -10.751 11.009 0.913 186 1HB LYS 22 2HB LYS 22 -12.203 8.965 1.306 187 2HB LYS 22 1HB LYS 22 -10.856 8.288 2.223 188 1HG LYS 22 2HG LYS 22 -10.884 10.425 3.609 189 2HG LYS 22 1HG LYS 22 -12.416 10.810 2.822 190 1HD LYS 22 2HD LYS 22 -13.145 8.426 3.565 191 2HD LYS 22 1HD LYS 22 -11.777 8.519 4.674 192 1HE LYS 22 2HE LYS 22 -13.617 9.341 5.926 193 2HE LYS 22 1HE LYS 22 -12.749 10.787 5.411 194 1HZ LYS 22 1HZ LYS 22 -15.271 9.674 4.371 195 2HZ LYS 22 2HZ LYS 22 -14.314 10.684 3.397 196 3HZ LYS 22 3HZ LYS 22 -14.931 11.258 4.872 197 H GLU 23 H GLU 23 -9.105 8.253 2.431 198 HA GLU 23 HA GLU 23 -7.445 9.647 4.137 199 1HB GLU 23 2HB GLU 23 -7.605 7.124 3.883 200 2HB GLU 23 1HB GLU 23 -6.472 7.264 2.538 201 1HG GLU 23 2HG GLU 23 -5.144 6.787 4.467 202 2HG GLU 23 1HG GLU 23 -4.926 8.508 4.142 203 H HIS 24 H HIS 24 -6.932 9.045 0.705 204 HA HIS 24 HA HIS 24 -4.361 10.455 0.677 205 1HB HIS 24 2HB HIS 24 -6.060 9.645 -1.698 206 2HB HIS 24 1HB HIS 24 -4.324 9.953 -1.672 207 HD1 HIS 24 1HD HIS 24 -6.259 7.873 0.853 208 HD2 HIS 24 2HD HIS 24 -3.367 7.350 -2.104 209 HE1 HIS 24 1HE HIS 24 -5.447 5.482 1.054 210 HE2 HIS 24 2HE HIS 24 -3.692 5.154 -0.744 211 H GLY 25 H GLY 25 -7.722 11.072 -0.172 212 1HA GLY 25 2HA GLY 25 -7.721 13.411 -1.593 213 2HA GLY 25 1HA GLY 25 -8.847 13.152 -0.262 214 H LEU 26 H LEU 26 -6.861 13.094 1.837 215 HA LEU 26 HA LEU 26 -6.802 15.661 2.780 216 1HB LEU 26 2HB LEU 26 -5.059 13.330 3.140 217 2HB LEU 26 1HB LEU 26 -4.191 14.844 3.384 218 HG LEU 26 HG LEU 26 -6.080 15.561 4.920 219 1HD1 LEU 26 1HD1 LEU 26 -7.591 13.865 5.753 220 2HD1 LEU 26 2HD1 LEU 26 -6.775 12.613 4.816 221 3HD1 LEU 26 3HD1 LEU 26 -7.704 13.867 3.993 222 1HD2 LEU 26 1HD2 LEU 26 -4.515 13.063 5.647 223 2HD2 LEU 26 2HD2 LEU 26 -5.275 14.157 6.803 224 3HD2 LEU 26 3HD2 LEU 26 -3.941 14.724 5.799 225 H LYS 27 H LYS 27 -4.582 14.361 0.325 226 HA LYS 27 HA LYS 27 -3.500 17.112 -0.099 227 1HB LYS 27 2HB LYS 27 -2.512 14.619 -1.488 228 2HB LYS 27 1HB LYS 27 -1.639 16.115 -1.153 229 1HG LYS 27 2HG LYS 27 -2.525 14.064 0.898 230 2HG LYS 27 1HG LYS 27 -0.870 14.359 0.366 231 1HD LYS 27 2HD LYS 27 -1.165 16.758 1.156 232 2HD LYS 27 1HD LYS 27 -2.667 16.234 1.917 233 1HE LYS 27 2HE LYS 27 -1.417 14.533 3.205 234 2HE LYS 27 1HE LYS 27 0.086 15.087 2.465 235 1HZ LYS 27 1HZ LYS 27 -1.417 17.240 3.578 236 2HZ LYS 27 2HZ LYS 27 0.198 16.793 3.856 237 3HZ LYS 27 3HZ LYS 27 -1.053 16.067 4.748 238 H LYS 28 H LYS 28 -3.598 17.975 -2.293 239 HA LYS 28 HA LYS 28 -5.990 17.837 -3.645 240 1HB LYS 28 2HB LYS 28 -4.751 18.497 -5.715 241 2HB LYS 28 1HB LYS 28 -4.263 19.427 -4.299 242 1HG LYS 28 2HG LYS 28 -2.404 17.668 -3.996 243 2HG LYS 28 1HG LYS 28 -2.786 17.161 -5.642 244 1HD LYS 28 2HD LYS 28 -2.353 19.427 -6.469 245 2HD LYS 28 1HD LYS 28 -2.034 19.982 -4.826 246 1HE LYS 28 2HE LYS 28 0.118 19.568 -5.720 247 2HE LYS 28 1HE LYS 28 -0.229 18.134 -4.754 248 1HZ LYS 28 1HZ LYS 28 0.450 17.208 -6.718 249 2HZ LYS 28 2HZ LYS 28 -0.208 18.450 -7.673 250 3HZ LYS 28 3HZ LYS 28 -1.225 17.279 -6.979 251 H SER 29 H SER 29 -6.909 16.539 -5.287 252 HA SER 29 HA SER 29 -6.756 13.822 -5.272 253 1HB SER 29 2HB SER 29 -7.018 15.534 -7.761 254 2HB SER 29 1HB SER 29 -7.418 13.821 -7.682 255 HG SER 29 HG SER 29 -9.300 14.621 -7.120 256 H ASN 30 H ASN 30 -4.699 12.953 -4.919 257 HA ASN 30 HA ASN 30 -2.725 13.305 -7.137 258 1HB ASN 30 2HB ASN 30 -2.158 14.095 -4.745 259 2HB ASN 30 1HB ASN 30 -2.051 12.382 -4.345 260 1HD2 ASN 30 1HD2 ASN 30 -1.079 13.943 -7.429 261 2HD2 ASN 30 2HD2 ASN 30 0.558 13.515 -7.309 262 H LEU 31 H LEU 31 -4.807 11.340 -7.342 263 HA LEU 31 HA LEU 31 -3.122 8.995 -7.739 264 1HB LEU 31 2HB LEU 31 -4.414 7.471 -6.311 265 2HB LEU 31 1HB LEU 31 -3.674 8.744 -5.345 266 HG LEU 31 HG LEU 31 -6.526 8.853 -6.367 267 1HD1 LEU 31 1HD1 LEU 31 -7.214 8.197 -4.131 268 2HD1 LEU 31 2HD1 LEU 31 -5.534 8.124 -3.600 269 3HD1 LEU 31 3HD1 LEU 31 -6.133 6.965 -4.785 270 1HD2 LEU 31 1HD2 LEU 31 -6.036 11.054 -5.844 271 2HD2 LEU 31 2HD2 LEU 31 -4.774 10.615 -4.693 272 3HD2 LEU 31 3HD2 LEU 31 -6.470 10.485 -4.234 273 H GLN 32 H GLN 32 -4.043 7.546 -9.219 274 HA GLN 32 HA GLN 32 -6.869 7.835 -9.984 275 1HB GLN 32 2HB GLN 32 -4.625 8.969 -11.569 276 2HB GLN 32 1HB GLN 32 -5.798 8.027 -12.488 277 1HG GLN 32 2HG GLN 32 -7.624 9.410 -11.457 278 2HG GLN 32 1HG GLN 32 -6.380 10.415 -10.711 279 1HE2 GLN 32 1HE2 GLN 32 -4.615 10.003 -13.188 280 2HE2 GLN 32 2HE2 GLN 32 -5.273 11.054 -14.347 281 H LEU 33 H LEU 33 -6.841 5.603 -9.267 282 HA LEU 33 HA LEU 33 -5.168 3.707 -10.800 283 1HB LEU 33 2HB LEU 33 -7.059 3.436 -8.460 284 2HB LEU 33 1HB LEU 33 -6.432 2.022 -9.307 285 HG LEU 33 HG LEU 33 -4.121 2.808 -8.881 286 1HD1 LEU 33 1HD1 LEU 33 -4.268 5.150 -8.713 287 2HD1 LEU 33 2HD1 LEU 33 -3.996 4.651 -7.044 288 3HD1 LEU 33 3HD1 LEU 33 -5.620 5.079 -7.584 289 1HD2 LEU 33 1HD2 LEU 33 -5.775 2.720 -6.340 290 2HD2 LEU 33 2HD2 LEU 33 -4.079 2.267 -6.514 291 3HD2 LEU 33 3HD2 LEU 33 -5.335 1.293 -7.281 292 H ARG 34 H ARG 34 -5.909 2.758 -12.631 293 HA ARG 34 HA ARG 34 -8.678 3.166 -13.481 294 1HB ARG 34 2HB ARG 34 -6.563 1.426 -14.779 295 2HB ARG 34 1HB ARG 34 -8.005 2.098 -15.539 296 1HG ARG 34 2HG ARG 34 -7.065 4.406 -14.933 297 2HG ARG 34 1HG ARG 34 -5.549 3.576 -14.582 298 1HD ARG 34 2HD ARG 34 -5.772 2.541 -16.930 299 2HD ARG 34 1HD ARG 34 -7.003 3.770 -17.222 300 HE ARG 34 HE ARG 34 -4.887 5.253 -16.290 301 1HH1 ARG 34 1HH2 ARG 34 -5.276 2.790 -18.672 302 2HH1 ARG 34 2HH2 ARG 34 -4.017 3.396 -19.697 303 1HH2 ARG 34 1HH1 ARG 34 -3.241 6.059 -17.614 304 2HH2 ARG 34 2HH1 ARG 34 -2.866 5.248 -19.097 305 H ASP 35 H ASP 35 -9.482 0.862 -14.657 306 HA ASP 35 HA ASP 35 -10.146 -0.812 -12.353 307 1HB ASP 35 2HB ASP 35 -10.847 -0.940 -15.295 308 2HB ASP 35 1HB ASP 35 -11.373 -2.165 -14.141 309 H GLN 36 H GLN 36 -8.233 -1.179 -15.332 310 HA GLN 36 HA GLN 36 -7.550 -3.925 -14.957 311 1HB GLN 36 2HB GLN 36 -5.874 -1.775 -16.286 312 2HB GLN 36 1HB GLN 36 -5.757 -3.515 -16.554 313 1HG GLN 36 2HG GLN 36 -8.060 -3.549 -17.423 314 2HG GLN 36 1HG GLN 36 -8.196 -1.813 -17.145 315 1HE2 GLN 36 1HE2 GLN 36 -8.255 -3.355 -19.758 316 2HE2 GLN 36 2HE2 GLN 36 -7.032 -2.656 -20.705 317 H ALA 37 H ALA 37 -5.992 -0.939 -13.803 318 HA ALA 37 HA ALA 37 -3.637 -2.108 -12.744 319 1HB ALA 37 1HB ALA 37 -3.790 -0.148 -11.071 320 2HB ALA 37 2HB ALA 37 -5.260 0.306 -11.934 321 3HB ALA 37 3HB ALA 37 -3.716 0.261 -12.785 322 H ILE 38 H ILE 38 -6.766 -1.501 -11.108 323 HA ILE 38 HA ILE 38 -6.040 -2.691 -8.623 324 HB ILE 38 HB ILE 38 -8.797 -2.689 -9.888 325 1HG1 ILE 38 2HG1 ILE 38 -7.582 -0.568 -8.096 326 2HG1 ILE 38 1HG1 ILE 38 -7.620 -0.431 -9.853 327 1HG2 ILE 38 1HG2 ILE 38 -9.548 -2.653 -7.538 328 2HG2 ILE 38 2HG2 ILE 38 -7.869 -2.693 -6.999 329 3HG2 ILE 38 3HG2 ILE 38 -8.552 -4.073 -7.860 330 1HD1 ILE 38 1HD1 ILE 38 -9.565 0.649 -8.517 331 2HD1 ILE 38 2HD1 ILE 38 -10.137 -1.003 -8.292 332 3HD1 ILE 38 3HD1 ILE 38 -9.978 -0.339 -9.917 333 H LEU 39 H LEU 39 -7.992 -4.127 -11.261 334 HA LEU 39 HA LEU 39 -8.229 -6.719 -10.318 335 1HB LEU 39 2HB LEU 39 -7.649 -5.856 -13.164 336 2HB LEU 39 1HB LEU 39 -8.268 -7.441 -12.702 337 HG LEU 39 HG LEU 39 -9.660 -4.864 -11.939 338 1HD1 LEU 39 1HD1 LEU 39 -9.678 -4.842 -14.324 339 2HD1 LEU 39 2HD1 LEU 39 -11.238 -5.510 -13.845 340 3HD1 LEU 39 3HD1 LEU 39 -9.957 -6.581 -14.411 341 1HD2 LEU 39 1HD2 LEU 39 -10.484 -6.608 -10.588 342 2HD2 LEU 39 2HD2 LEU 39 -10.334 -7.806 -11.873 343 3HD2 LEU 39 3HD2 LEU 39 -11.617 -6.600 -11.938 344 H ASP 40 H ASP 40 -5.535 -5.589 -12.372 345 HA ASP 40 HA ASP 40 -3.984 -7.922 -12.332 346 1HB ASP 40 2HB ASP 40 -3.061 -5.037 -12.263 347 2HB ASP 40 1HB ASP 40 -2.018 -6.409 -12.640 348 H ILE 41 H ILE 41 -3.854 -5.232 -9.963 349 HA ILE 41 HA ILE 41 -1.840 -6.262 -8.304 350 HB ILE 41 HB ILE 41 -4.330 -4.688 -7.608 351 1HG1 ILE 41 2HG1 ILE 41 -1.417 -3.855 -7.708 352 2HG1 ILE 41 1HG1 ILE 41 -2.503 -3.711 -9.090 353 1HG2 ILE 41 1HG2 ILE 41 -2.023 -5.600 -5.880 354 2HG2 ILE 41 2HG2 ILE 41 -3.751 -5.708 -5.544 355 3HG2 ILE 41 3HG2 ILE 41 -2.941 -4.143 -5.497 356 1HD1 ILE 41 1HD1 ILE 41 -2.274 -1.627 -7.629 357 2HD1 ILE 41 2HD1 ILE 41 -3.154 -2.519 -6.389 358 3HD1 ILE 41 3HD1 ILE 41 -3.921 -2.174 -7.938 359 H ILE 42 H ILE 42 -5.197 -6.472 -7.126 360 HA ILE 42 HA ILE 42 -4.845 -8.583 -5.364 361 HB ILE 42 HB ILE 42 -7.254 -8.084 -7.140 362 1HG1 ILE 42 2HG1 ILE 42 -7.863 -7.271 -4.563 363 2HG1 ILE 42 1HG1 ILE 42 -6.170 -6.805 -4.702 364 1HG2 ILE 42 1HG2 ILE 42 -8.430 -9.271 -5.186 365 2HG2 ILE 42 2HG2 ILE 42 -6.829 -9.844 -4.719 366 3HG2 ILE 42 3HG2 ILE 42 -7.501 -10.288 -6.288 367 1HD1 ILE 42 1HD1 ILE 42 -6.668 -5.582 -6.782 368 2HD1 ILE 42 2HD1 ILE 42 -7.672 -4.992 -5.458 369 3HD1 ILE 42 3HD1 ILE 42 -8.359 -6.072 -6.671 370 H ARG 43 H ARG 43 -5.680 -8.887 -8.818 371 HA ARG 43 HA ARG 43 -5.933 -11.640 -9.056 372 1HB ARG 43 2HB ARG 43 -4.624 -9.643 -10.907 373 2HB ARG 43 1HB ARG 43 -4.836 -11.334 -11.355 374 1HG ARG 43 2HG ARG 43 -7.213 -9.850 -10.287 375 2HG ARG 43 1HG ARG 43 -6.700 -9.520 -11.941 376 1HD ARG 43 2HD ARG 43 -7.061 -11.742 -12.631 377 2HD ARG 43 1HD ARG 43 -7.041 -12.357 -10.979 378 HE ARG 43 HE ARG 43 -9.338 -11.127 -12.337 379 1HH1 ARG 43 1HH2 ARG 43 -7.794 -12.033 -9.390 380 2HH1 ARG 43 2HH2 ARG 43 -9.269 -12.117 -8.488 381 1HH2 ARG 43 1HH1 ARG 43 -11.274 -11.235 -11.175 382 2HH2 ARG 43 2HH1 ARG 43 -11.239 -11.667 -9.498 383 H TYR 44 H TYR 44 -2.891 -9.799 -8.806 384 HA TYR 44 HA TYR 44 -1.262 -12.205 -9.129 385 1HB TYR 44 2HB TYR 44 -0.732 -9.318 -8.464 386 2HB TYR 44 1HB TYR 44 0.527 -10.518 -8.177 387 HD1 TYR 44 1HD TYR 44 -2.045 -10.127 -10.898 388 HD2 TYR 44 2HD TYR 44 2.119 -10.402 -9.876 389 HE1 TYR 44 1HE TYR 44 -1.450 -10.085 -13.302 390 HE2 TYR 44 2HE TYR 44 2.713 -10.362 -12.281 391 HH TYR 44 HH TYR 44 1.943 -10.023 -14.355 392 H TYR 45 H TYR 45 -2.403 -10.186 -6.462 393 HA TYR 45 HA TYR 45 -0.983 -11.790 -4.461 394 1HB TYR 45 2HB TYR 45 -2.956 -9.502 -4.304 395 2HB TYR 45 1HB TYR 45 -2.329 -10.316 -2.869 396 HD1 TYR 45 1HD TYR 45 -0.416 -9.425 -1.886 397 HD2 TYR 45 2HD TYR 45 -1.051 -8.874 -6.094 398 HE1 TYR 45 1HE TYR 45 1.655 -8.083 -2.023 399 HE2 TYR 45 2HE TYR 45 1.016 -7.531 -6.236 400 HH TYR 45 HH TYR 45 3.102 -7.065 -3.383 401 H THR 46 H THR 46 -4.449 -10.936 -4.645 402 HA THR 46 HA THR 46 -6.313 -12.201 -3.972 403 HB THR 46 HB THR 46 -4.993 -14.632 -5.129 404 HG1 THR 46 1HG THR 46 -4.402 -13.484 -6.774 405 1HG2 THR 46 1HG2 THR 46 -7.376 -14.609 -4.399 406 2HG2 THR 46 2HG2 THR 46 -7.198 -14.929 -6.124 407 3HG2 THR 46 3HG2 THR 46 -7.693 -13.329 -5.570 408 H ARG 47 H ARG 47 -3.554 -12.404 -2.402 409 HA ARG 47 HA ARG 47 -3.953 -14.943 -0.972 410 1HB ARG 47 2HB ARG 47 -2.053 -13.953 0.476 411 2HB ARG 47 1HB ARG 47 -1.670 -14.361 -1.196 412 1HG ARG 47 2HG ARG 47 -1.449 -12.164 -1.832 413 2HG ARG 47 1HG ARG 47 -2.684 -11.600 -0.705 414 1HD ARG 47 2HD ARG 47 -0.068 -12.668 0.336 415 2HD ARG 47 1HD ARG 47 -0.181 -11.004 -0.235 416 HE ARG 47 HE ARG 47 -2.279 -11.717 1.668 417 1HH1 ARG 47 1HH2 ARG 47 0.947 -10.602 1.171 418 2HH1 ARG 47 2HH2 ARG 47 1.036 -9.778 2.692 419 1HH2 ARG 47 1HH1 ARG 47 -2.179 -10.648 3.653 420 2HH2 ARG 47 2HH1 ARG 47 -0.734 -9.804 4.097 421 H GLU 48 H GLU 48 -3.855 -14.685 1.567 422 HA GLU 48 HA GLU 48 -5.009 -14.029 3.498 423 1HB GLU 48 2HB GLU 48 -4.267 -11.570 2.108 424 2HB GLU 48 1HB GLU 48 -5.759 -11.363 3.021 425 1HG GLU 48 2HG GLU 48 -3.801 -10.841 4.419 426 2HG GLU 48 1HG GLU 48 -4.647 -12.260 5.037 427 H ALA 49 H ALA 49 -7.020 -14.842 3.783 428 HA ALA 49 HA ALA 49 -9.109 -14.398 1.761 429 1HB ALA 49 1HB ALA 49 -10.464 -15.889 3.249 430 2HB ALA 49 2HB ALA 49 -9.108 -15.935 4.376 431 3HB ALA 49 3HB ALA 49 -8.934 -16.615 2.759 432 H GLY 50 H GLY 50 -8.930 -11.968 2.336 433 1HA GLY 50 2HA GLY 50 -11.266 -11.187 3.791 434 2HA GLY 50 1HA GLY 50 -9.842 -10.903 4.793 435 H VAL 51 H VAL 51 -11.750 -9.027 3.307 436 HA VAL 51 HA VAL 51 -10.174 -7.789 1.219 437 HB VAL 51 HB VAL 51 -11.825 -5.987 1.322 438 1HG1 VAL 51 1HG1 VAL 51 -12.498 -7.994 0.132 439 2HG1 VAL 51 2HG1 VAL 51 -13.889 -7.392 1.034 440 3HG1 VAL 51 3HG1 VAL 51 -12.976 -8.774 1.640 441 1HG2 VAL 51 1HG2 VAL 51 -13.674 -6.235 3.063 442 2HG2 VAL 51 2HG2 VAL 51 -12.113 -5.701 3.685 443 3HG2 VAL 51 3HG2 VAL 51 -12.618 -7.378 3.892 444 H ARG 52 H ARG 52 -10.648 -7.138 4.683 445 HA ARG 52 HA ARG 52 -9.484 -4.681 5.047 446 1HB ARG 52 2HB ARG 52 -9.169 -7.237 6.609 447 2HB ARG 52 1HB ARG 52 -8.319 -5.779 7.118 448 1HG ARG 52 2HG ARG 52 -11.255 -5.609 6.501 449 2HG ARG 52 1HG ARG 52 -10.742 -6.291 8.045 450 1HD ARG 52 2HD ARG 52 -9.750 -3.617 7.030 451 2HD ARG 52 1HD ARG 52 -11.175 -3.784 8.055 452 HE ARG 52 HE ARG 52 -9.186 -5.162 9.421 453 1HH1 ARG 52 1HH2 ARG 52 -9.612 -2.019 8.072 454 2HH1 ARG 52 2HH2 ARG 52 -8.612 -1.233 9.248 455 1HH2 ARG 52 1HH1 ARG 52 -7.875 -4.155 10.965 456 2HH2 ARG 52 2HH1 ARG 52 -7.627 -2.442 10.886 457 H SER 53 H SER 53 -7.634 -7.711 4.593 458 HA SER 53 HA SER 53 -5.064 -6.462 4.643 459 1HB SER 53 2HB SER 53 -5.808 -8.929 3.067 460 2HB SER 53 1HB SER 53 -4.219 -8.499 3.692 461 HG SER 53 HG SER 53 -6.533 -8.960 5.276 462 H LEU 54 H LEU 54 -7.047 -7.489 1.851 463 HA LEU 54 HA LEU 54 -5.431 -6.503 -0.210 464 1HB LEU 54 2HB LEU 54 -8.437 -6.147 -0.194 465 2HB LEU 54 1HB LEU 54 -7.388 -6.435 -1.581 466 HG LEU 54 HG LEU 54 -8.036 -8.383 0.646 467 1HD1 LEU 54 1HD1 LEU 54 -8.550 -8.397 -2.343 468 2HD1 LEU 54 2HD1 LEU 54 -9.763 -8.196 -1.080 469 3HD1 LEU 54 3HD1 LEU 54 -8.916 -9.733 -1.251 470 1HD2 LEU 54 1HD2 LEU 54 -5.981 -8.470 -1.569 471 2HD2 LEU 54 2HD2 LEU 54 -6.615 -9.941 -0.831 472 3HD2 LEU 54 3HD2 LEU 54 -5.742 -8.766 0.153 473 H GLU 55 H GLU 55 -8.048 -4.718 1.450 474 HA GLU 55 HA GLU 55 -7.656 -2.209 0.277 475 1HB GLU 55 2HB GLU 55 -9.489 -2.692 1.854 476 2HB GLU 55 1HB GLU 55 -8.329 -2.800 3.178 477 1HG GLU 55 2HG GLU 55 -8.440 -0.319 1.475 478 2HG GLU 55 1HG GLU 55 -9.599 -0.546 2.785 479 H ARG 56 H ARG 56 -5.850 -3.723 2.948 480 HA ARG 56 HA ARG 56 -4.265 -1.401 3.551 481 1HB ARG 56 2HB ARG 56 -4.529 -3.562 4.933 482 2HB ARG 56 1HB ARG 56 -3.307 -4.250 3.862 483 1HG ARG 56 2HG ARG 56 -1.844 -2.253 4.427 484 2HG ARG 56 1HG ARG 56 -3.017 -1.848 5.681 485 1HD ARG 56 2HD ARG 56 -2.711 -4.208 6.572 486 2HD ARG 56 1HD ARG 56 -1.349 -4.365 5.463 487 HE ARG 56 HE ARG 56 -1.183 -2.000 7.171 488 1HH1 ARG 56 1HH2 ARG 56 -0.569 -5.370 6.789 489 2HH1 ARG 56 2HH2 ARG 56 0.722 -5.403 7.944 490 1HH2 ARG 56 1HH1 ARG 56 0.499 -2.021 8.682 491 2HH2 ARG 56 2HH1 ARG 56 1.326 -3.507 9.015 492 H GLN 57 H GLN 57 -3.576 -4.251 1.490 493 HA GLN 57 HA GLN 57 -1.023 -3.356 0.593 494 1HB GLN 57 2HB GLN 57 -3.030 -5.356 -0.280 495 2HB GLN 57 1HB GLN 57 -1.966 -4.771 -1.558 496 1HG GLN 57 2HG GLN 57 -1.006 -6.755 -0.443 497 2HG GLN 57 1HG GLN 57 0.003 -5.332 -0.186 498 1HE2 GLN 57 1HE2 GLN 57 -1.408 -7.914 1.442 499 2HE2 GLN 57 2HE2 GLN 57 -1.419 -7.260 3.009 500 H LEU 58 H LEU 58 -4.297 -2.747 -0.653 501 HA LEU 58 HA LEU 58 -3.449 -1.289 -2.983 502 1HB LEU 58 2HB LEU 58 -6.027 -1.007 -1.406 503 2HB LEU 58 1HB LEU 58 -5.764 -0.489 -3.073 504 HG LEU 58 HG LEU 58 -5.250 -3.349 -2.291 505 1HD1 LEU 58 1HD1 LEU 58 -7.433 -3.494 -1.651 506 2HD1 LEU 58 2HD1 LEU 58 -7.751 -3.469 -3.384 507 3HD1 LEU 58 3HD1 LEU 58 -7.875 -1.983 -2.444 508 1HD2 LEU 58 1HD2 LEU 58 -5.885 -3.694 -4.683 509 2HD2 LEU 58 2HD2 LEU 58 -4.509 -2.609 -4.500 510 3HD2 LEU 58 3HD2 LEU 58 -6.108 -1.954 -4.847 511 H ALA 59 H ALA 59 -4.561 -0.183 0.236 512 HA ALA 59 HA ALA 59 -4.210 2.582 -0.143 513 1HB ALA 59 1HB ALA 59 -5.161 1.768 1.929 514 2HB ALA 59 2HB ALA 59 -3.680 2.634 2.336 515 3HB ALA 59 3HB ALA 59 -3.691 0.871 2.308 516 H ALA 60 H ALA 60 -1.853 0.051 0.557 517 HA ALA 60 HA ALA 60 0.413 1.726 1.012 518 1HB ALA 60 1HB ALA 60 1.725 -0.235 0.743 519 2HB ALA 60 2HB ALA 60 0.539 -0.976 -0.332 520 3HB ALA 60 3HB ALA 60 0.187 -0.807 1.388 521 H ILE 61 H ILE 61 -0.440 -0.038 -2.007 522 HA ILE 61 HA ILE 61 1.534 1.238 -3.601 523 HB ILE 61 HB ILE 61 -0.146 -0.792 -4.067 524 1HG1 ILE 61 2HG1 ILE 61 1.010 1.085 -6.149 525 2HG1 ILE 61 1HG1 ILE 61 1.799 -0.320 -5.436 526 1HG2 ILE 61 1HG2 ILE 61 -2.111 0.811 -4.174 527 2HG2 ILE 61 2HG2 ILE 61 -1.928 -0.234 -5.578 528 3HG2 ILE 61 3HG2 ILE 61 -1.415 1.450 -5.662 529 1HD1 ILE 61 1HD1 ILE 61 1.022 -1.230 -7.433 530 2HD1 ILE 61 2HD1 ILE 61 -0.421 -0.216 -7.452 531 3HD1 ILE 61 3HD1 ILE 61 -0.329 -1.597 -6.360 532 H CYS 62 H CYS 62 -1.841 2.155 -2.960 533 HA CYS 62 HA CYS 62 -2.010 4.346 -4.746 534 1HB CYS 62 2HB CYS 62 -3.300 3.950 -2.032 535 2HB CYS 62 1HB CYS 62 -3.768 5.200 -3.185 536 HG CYS 62 HG CYS 62 -4.666 3.407 -4.783 537 H ARG 63 H ARG 63 -1.708 4.818 -1.215 538 HA ARG 63 HA ARG 63 -0.738 7.453 -1.357 539 1HB ARG 63 2HB ARG 63 -0.826 5.333 0.648 540 2HB ARG 63 1HB ARG 63 0.570 6.389 0.850 541 1HG ARG 63 2HG ARG 63 -0.806 8.333 1.034 542 2HG ARG 63 1HG ARG 63 -2.234 7.460 0.477 543 1HD ARG 63 2HD ARG 63 -1.904 7.892 3.050 544 2HD ARG 63 1HD ARG 63 -2.496 6.324 2.500 545 HE ARG 63 HE ARG 63 -0.467 5.366 3.233 546 1HH1 ARG 63 1HH2 ARG 63 -0.261 8.792 2.924 547 2HH1 ARG 63 2HH2 ARG 63 1.320 8.893 3.623 548 1HH2 ARG 63 1HH1 ARG 63 1.599 5.477 4.146 549 2HH2 ARG 63 2HH1 ARG 63 2.373 7.018 4.314 550 H LYS 64 H LYS 64 1.183 4.424 -1.188 551 HA LYS 64 HA LYS 64 3.763 5.443 -1.169 552 1HB LYS 64 2HB LYS 64 3.377 3.037 -1.283 553 2HB LYS 64 1HB LYS 64 2.684 3.190 -2.899 554 1HG LYS 64 2HG LYS 64 4.778 3.787 -3.856 555 2HG LYS 64 1HG LYS 64 5.500 4.097 -2.277 556 1HD LYS 64 2HD LYS 64 4.434 1.349 -2.841 557 2HD LYS 64 1HD LYS 64 5.973 1.817 -3.565 558 1HE LYS 64 2HE LYS 64 5.418 2.193 -0.618 559 2HE LYS 64 1HE LYS 64 6.088 0.695 -1.259 560 1HZ LYS 64 1HZ LYS 64 7.635 2.532 -2.441 561 2HZ LYS 64 2HZ LYS 64 8.030 1.745 -0.987 562 3HZ LYS 64 3HZ LYS 64 7.325 3.290 -0.956 563 H ALA 65 H ALA 65 1.489 5.285 -3.852 564 HA ALA 65 HA ALA 65 3.284 6.469 -5.797 565 1HB ALA 65 1HB ALA 65 1.102 5.099 -6.208 566 2HB ALA 65 2HB ALA 65 1.425 6.481 -7.254 567 3HB ALA 65 3HB ALA 65 0.271 6.630 -5.929 568 H ALA 66 H ALA 66 0.850 7.669 -3.497 569 HA ALA 66 HA ALA 66 0.782 10.372 -4.436 570 1HB ALA 66 1HB ALA 66 -0.178 10.920 -2.288 571 2HB ALA 66 2HB ALA 66 0.496 9.462 -1.560 572 3HB ALA 66 3HB ALA 66 -0.796 9.336 -2.754 573 H LYS 67 H LYS 67 2.608 9.040 -1.649 574 HA LYS 67 HA LYS 67 4.137 11.323 -1.088 575 1HB LYS 67 2HB LYS 67 4.045 9.072 0.173 576 2HB LYS 67 1HB LYS 67 5.287 8.531 -0.952 577 1HG LYS 67 2HG LYS 67 5.758 11.160 0.389 578 2HG LYS 67 1HG LYS 67 5.874 9.726 1.404 579 1HD LYS 67 2HD LYS 67 7.275 9.665 -1.243 580 2HD LYS 67 1HD LYS 67 7.983 10.641 0.042 581 1HE LYS 67 2HE LYS 67 8.805 8.247 -0.046 582 2HE LYS 67 1HE LYS 67 8.141 8.744 1.511 583 1HZ LYS 67 1HZ LYS 67 7.317 6.570 0.788 584 2HZ LYS 67 2HZ LYS 67 6.638 7.285 -0.595 585 3HZ LYS 67 3HZ LYS 67 6.063 7.699 0.949 586 H ALA 68 H ALA 68 4.720 8.791 -3.492 587 HA ALA 68 HA ALA 68 7.309 9.532 -4.324 588 1HB ALA 68 1HB ALA 68 6.636 8.598 -6.561 589 2HB ALA 68 2HB ALA 68 4.984 8.481 -5.959 590 3HB ALA 68 3HB ALA 68 6.265 7.531 -5.207 591 H ILE 69 H ILE 69 4.587 11.470 -4.296 592 HA ILE 69 HA ILE 69 4.760 12.909 -6.744 593 HB ILE 69 HB ILE 69 2.907 13.185 -5.139 594 1HG1 ILE 69 2HG1 ILE 69 4.035 15.931 -5.151 595 2HG1 ILE 69 1HG1 ILE 69 4.042 15.125 -6.719 596 1HG2 ILE 69 1HG2 ILE 69 3.196 14.313 -3.048 597 2HG2 ILE 69 2HG2 ILE 69 4.845 14.787 -3.455 598 3HG2 ILE 69 3HG2 ILE 69 4.470 13.096 -3.124 599 1HD1 ILE 69 1HD1 ILE 69 1.701 14.844 -6.722 600 2HD1 ILE 69 2HD1 ILE 69 1.931 16.468 -6.073 601 3HD1 ILE 69 3HD1 ILE 69 1.576 15.126 -4.985 602 H VAL 70 H VAL 70 7.119 12.529 -4.424 603 HA VAL 70 HA VAL 70 8.283 15.028 -4.003 604 HB VAL 70 HB VAL 70 9.182 12.899 -3.093 605 1HG1 VAL 70 1HG1 VAL 70 10.359 12.506 -5.858 606 2HG1 VAL 70 2HG1 VAL 70 8.935 11.645 -5.272 607 3HG1 VAL 70 3HG1 VAL 70 10.492 11.416 -4.478 608 1HG2 VAL 70 1HG2 VAL 70 11.257 14.369 -4.745 609 2HG2 VAL 70 2HG2 VAL 70 11.516 13.520 -3.221 610 3HG2 VAL 70 3HG2 VAL 70 10.568 15.007 -3.252 611 H ALA 71 H ALA 71 8.056 13.216 -6.980 612 HA ALA 71 HA ALA 71 10.132 14.413 -8.483 613 1HB ALA 71 1HB ALA 71 8.777 13.872 -10.466 614 2HB ALA 71 2HB ALA 71 7.361 13.631 -9.442 615 3HB ALA 71 3HB ALA 71 8.740 12.540 -9.312 616 H GLU 72 H GLU 72 9.693 16.067 -10.307 617 HA GLU 72 HA GLU 72 8.943 18.558 -9.143 618 1HB GLU 72 2HB GLU 72 9.178 17.758 -12.060 619 2HB GLU 72 1HB GLU 72 9.029 19.420 -11.490 620 1HG GLU 72 2HG GLU 72 11.230 17.522 -10.632 621 2HG GLU 72 1HG GLU 72 11.403 18.726 -11.909 622 H GLU 73 H GLU 73 7.361 18.564 -12.082 623 HA GLU 73 HA GLU 73 4.778 18.963 -10.817 624 1HB GLU 73 2HB GLU 73 5.416 18.630 -13.764 625 2HB GLU 73 1HB GLU 73 3.961 19.353 -13.077 626 1HG GLU 73 2HG GLU 73 5.297 21.144 -12.068 627 2HG GLU 73 1HG GLU 73 6.778 20.408 -12.683 628 H ARG 74 H ARG 74 3.126 17.501 -10.591 629 HA ARG 74 HA ARG 74 2.868 15.125 -12.216 630 1HB ARG 74 2HB ARG 74 4.739 14.326 -10.880 631 2HB ARG 74 1HB ARG 74 3.923 14.807 -9.391 632 1HG ARG 74 2HG ARG 74 2.286 13.119 -9.596 633 2HG ARG 74 1HG ARG 74 2.629 12.871 -11.308 634 1HD ARG 74 2HD ARG 74 4.697 12.327 -9.173 635 2HD ARG 74 1HD ARG 74 3.540 11.099 -9.687 636 HE ARG 74 HE ARG 74 5.839 12.024 -11.217 637 1HH1 ARG 74 1HH2 ARG 74 2.642 10.734 -11.304 638 2HH1 ARG 74 2HH2 ARG 74 2.841 9.993 -12.857 639 1HH2 ARG 74 1HH1 ARG 74 6.116 11.063 -13.244 640 2HH2 ARG 74 2HH1 ARG 74 4.806 10.179 -13.954 641 H LYS 75 H LYS 75 0.720 16.006 -12.331 642 HA LYS 75 HA LYS 75 -0.843 16.050 -9.799 643 1HB LYS 75 2HB LYS 75 -1.897 16.787 -12.529 644 2HB LYS 75 1HB LYS 75 -2.444 17.346 -10.948 645 1HG LYS 75 2HG LYS 75 0.218 18.013 -12.242 646 2HG LYS 75 1HG LYS 75 -1.158 19.105 -12.085 647 1HD LYS 75 2HD LYS 75 -0.914 18.409 -9.502 648 2HD LYS 75 1HD LYS 75 0.760 18.161 -9.999 649 1HE LYS 75 2HE LYS 75 0.694 20.427 -9.324 650 2HE LYS 75 1HE LYS 75 0.580 20.505 -11.083 651 1HZ LYS 75 1HZ LYS 75 -1.981 20.296 -10.463 652 2HZ LYS 75 2HZ LYS 75 -1.186 21.792 -10.584 653 3HZ LYS 75 3HZ LYS 75 -1.436 21.080 -9.061 654 H ARG 76 H ARG 76 -2.600 14.660 -9.474 655 HA ARG 76 HA ARG 76 -3.707 12.588 -9.653 656 1HB ARG 76 2HB ARG 76 -3.812 13.271 -12.597 657 2HB ARG 76 1HB ARG 76 -4.994 12.364 -11.652 658 1HG ARG 76 2HG ARG 76 -5.370 14.447 -10.278 659 2HG ARG 76 1HG ARG 76 -4.352 15.316 -11.425 660 1HD ARG 76 2HD ARG 76 -6.842 13.764 -12.190 661 2HD ARG 76 1HD ARG 76 -6.795 15.509 -11.941 662 HE ARG 76 HE ARG 76 -5.836 14.111 -14.291 663 1HH1 ARG 76 1HH2 ARG 76 -5.363 16.792 -12.177 664 2HH1 ARG 76 2HH2 ARG 76 -4.601 17.776 -13.379 665 1HH2 ARG 76 1HH1 ARG 76 -4.843 15.382 -15.875 666 2HH2 ARG 76 2HH1 ARG 76 -4.307 16.978 -15.474 667 H ILE 77 H ILE 77 -2.125 11.021 -9.241 668 HA ILE 77 HA ILE 77 -0.237 10.240 -11.348 669 HB ILE 77 HB ILE 77 -0.755 8.772 -8.758 670 1HG1 ILE 77 2HG1 ILE 77 0.954 11.228 -9.259 671 2HG1 ILE 77 1HG1 ILE 77 -0.442 11.123 -8.186 672 1HG2 ILE 77 1HG2 ILE 77 1.816 9.188 -10.297 673 2HG2 ILE 77 2HG2 ILE 77 0.732 7.831 -10.612 674 3HG2 ILE 77 3HG2 ILE 77 1.492 8.005 -9.030 675 1HD1 ILE 77 1HD1 ILE 77 1.451 10.902 -6.760 676 2HD1 ILE 77 2HD1 ILE 77 2.251 9.790 -7.871 677 3HD1 ILE 77 3HD1 ILE 77 0.833 9.264 -6.964 678 H THR 78 H THR 78 -1.171 9.148 -13.034 679 HA THR 78 HA THR 78 -3.413 7.322 -12.614 680 HB THR 78 HB THR 78 -1.770 7.490 -15.135 681 HG1 THR 78 1HG THR 78 -2.244 9.612 -14.428 682 1HG2 THR 78 1HG2 THR 78 -3.593 5.820 -14.970 683 2HG2 THR 78 2HG2 THR 78 -3.943 7.052 -16.183 684 3HG2 THR 78 3HG2 THR 78 -4.730 7.118 -14.607 685 H VAL 79 H VAL 79 -3.242 5.169 -12.201 686 HA VAL 79 HA VAL 79 -0.520 3.942 -12.331 687 HB VAL 79 HB VAL 79 -2.983 2.908 -10.903 688 1HG1 VAL 79 1HG1 VAL 79 -1.300 1.578 -9.656 689 2HG1 VAL 79 2HG1 VAL 79 -0.029 2.255 -10.673 690 3HG1 VAL 79 3HG1 VAL 79 -1.266 1.218 -11.382 691 1HG2 VAL 79 1HG2 VAL 79 -2.319 5.116 -10.018 692 2HG2 VAL 79 2HG2 VAL 79 -0.659 4.547 -9.840 693 3HG2 VAL 79 3HG2 VAL 79 -1.944 3.840 -8.860 694 H THR 80 H THR 80 -0.160 2.641 -14.053 695 HA THR 80 HA THR 80 -2.494 1.467 -15.484 696 HB THR 80 HB THR 80 -0.821 0.996 -17.279 697 HG1 THR 80 1HG THR 80 1.236 1.419 -16.964 698 1HG2 THR 80 1HG2 THR 80 -0.797 3.866 -16.305 699 2HG2 THR 80 2HG2 THR 80 -2.110 3.125 -17.219 700 3HG2 THR 80 3HG2 THR 80 -0.522 3.322 -17.960 701 H GLU 81 H GLU 81 -2.030 -0.822 -16.376 702 HA GLU 81 HA GLU 81 -1.683 -2.628 -14.215 703 1HB GLU 81 2HB GLU 81 -1.285 -4.328 -16.158 704 2HB GLU 81 1HB GLU 81 -2.851 -3.527 -16.046 705 1HG GLU 81 2HG GLU 81 -0.653 -2.259 -17.665 706 2HG GLU 81 1HG GLU 81 -1.581 -3.591 -18.354 707 H LYS 82 H LYS 82 0.649 -0.946 -16.072 708 HA LYS 82 HA LYS 82 2.798 -2.886 -15.412 709 1HB LYS 82 2HB LYS 82 2.668 -0.396 -17.117 710 2HB LYS 82 1HB LYS 82 4.204 -1.147 -16.692 711 1HG LYS 82 2HG LYS 82 2.053 -2.920 -17.784 712 2HG LYS 82 1HG LYS 82 2.869 -1.840 -18.912 713 1HD LYS 82 2HD LYS 82 4.559 -3.437 -17.021 714 2HD LYS 82 1HD LYS 82 3.834 -4.269 -18.396 715 1HE LYS 82 2HE LYS 82 6.187 -3.199 -18.706 716 2HE LYS 82 1HE LYS 82 4.979 -2.944 -19.964 717 1HZ LYS 82 1HZ LYS 82 4.391 -0.873 -18.565 718 2HZ LYS 82 2HZ LYS 82 5.750 -0.827 -19.585 719 3HZ LYS 82 3HZ LYS 82 5.945 -1.068 -17.915 720 H ASN 83 H ASN 83 1.999 0.555 -14.903 721 HA ASN 83 HA ASN 83 4.147 1.272 -13.256 722 1HB ASN 83 2HB ASN 83 2.110 2.671 -14.121 723 2HB ASN 83 1HB ASN 83 1.357 2.194 -12.599 724 1HD2 ASN 83 1HD2 ASN 83 2.198 4.933 -13.320 725 2HD2 ASN 83 2HD2 ASN 83 3.372 5.393 -12.184 726 H LEU 84 H LEU 84 1.161 -0.450 -12.372 727 HA LEU 84 HA LEU 84 1.302 -0.432 -9.606 728 1HB LEU 84 2HB LEU 84 -0.088 -2.283 -9.626 729 2HB LEU 84 1HB LEU 84 -0.255 -1.769 -11.300 730 HG LEU 84 HG LEU 84 1.768 -3.356 -11.750 731 1HD1 LEU 84 1HD1 LEU 84 1.476 -3.730 -8.946 732 2HD1 LEU 84 2HD1 LEU 84 2.525 -4.624 -10.039 733 3HD1 LEU 84 3HD1 LEU 84 0.899 -5.212 -9.706 734 1HD2 LEU 84 1HD2 LEU 84 -0.529 -3.729 -12.560 735 2HD2 LEU 84 2HD2 LEU 84 -0.963 -4.447 -11.010 736 3HD2 LEU 84 3HD2 LEU 84 0.210 -5.249 -12.055 737 H GLN 85 H GLN 85 3.305 -2.331 -11.826 738 HA GLN 85 HA GLN 85 4.688 -3.827 -9.799 739 1HB GLN 85 2HB GLN 85 5.361 -3.047 -12.639 740 2HB GLN 85 1HB GLN 85 6.500 -3.952 -11.642 741 1HG GLN 85 2HG GLN 85 4.999 -5.784 -11.405 742 2HG GLN 85 1HG GLN 85 3.638 -4.844 -12.017 743 1HE2 GLN 85 1HE2 GLN 85 4.535 -7.372 -13.175 744 2HE2 GLN 85 2HE2 GLN 85 5.055 -7.039 -14.757 745 H ASP 86 H ASP 86 5.518 -0.793 -11.505 746 HA ASP 86 HA ASP 86 7.984 -0.250 -10.298 747 1HB ASP 86 2HB ASP 86 5.729 1.613 -11.078 748 2HB ASP 86 1HB ASP 86 7.288 2.203 -10.504 749 H PHE 87 H PHE 87 4.719 0.318 -9.014 750 HA PHE 87 HA PHE 87 5.752 1.469 -6.528 751 1HB PHE 87 2HB PHE 87 2.979 0.481 -7.264 752 2HB PHE 87 1HB PHE 87 3.379 1.368 -5.796 753 HD1 PHE 87 1HD PHE 87 2.034 1.752 -8.970 754 HD2 PHE 87 2HD PHE 87 4.907 3.581 -6.349 755 HE1 PHE 87 1HE PHE 87 1.778 3.899 -10.183 756 HE2 PHE 87 2HE PHE 87 4.653 5.724 -7.566 757 HZ PHE 87 HZ PHE 87 3.087 5.884 -9.483 758 H ILE 88 H ILE 88 3.486 -1.251 -6.799 759 HA ILE 88 HA ILE 88 4.201 -2.527 -4.424 760 HB ILE 88 HB ILE 88 2.857 -3.306 -6.920 761 1HG1 ILE 88 2HG1 ILE 88 2.273 -4.094 -4.063 762 2HG1 ILE 88 1HG1 ILE 88 1.809 -2.531 -4.734 763 1HG2 ILE 88 1HG2 ILE 88 4.329 -5.199 -6.898 764 2HG2 ILE 88 2HG2 ILE 88 2.807 -5.741 -6.195 765 3HG2 ILE 88 3HG2 ILE 88 4.177 -5.371 -5.149 766 1HD1 ILE 88 1HD1 ILE 88 0.589 -3.750 -6.561 767 2HD1 ILE 88 2HD1 ILE 88 -0.078 -4.039 -4.955 768 3HD1 ILE 88 3HD1 ILE 88 0.938 -5.260 -5.721 769 H GLY 89 H GLY 89 5.483 -3.283 -7.685 770 1HA GLY 89 2HA GLY 89 7.553 -4.206 -8.304 771 2HA GLY 89 1HA GLY 89 8.164 -3.663 -6.739 772 H LYS 90 H LYS 90 8.258 -6.324 -8.362 773 HA LYS 90 HA LYS 90 8.530 -8.565 -7.701 774 1HB LYS 90 2HB LYS 90 9.067 -7.240 -5.417 775 2HB LYS 90 1HB LYS 90 7.576 -8.037 -4.918 776 1HG LYS 90 2HG LYS 90 8.683 -10.184 -5.939 777 2HG LYS 90 1HG LYS 90 10.183 -9.274 -5.777 778 1HD LYS 90 2HD LYS 90 8.228 -9.730 -3.504 779 2HD LYS 90 1HD LYS 90 9.664 -10.714 -3.784 780 1HE LYS 90 2HE LYS 90 9.585 -7.746 -3.181 781 2HE LYS 90 1HE LYS 90 10.226 -9.021 -2.147 782 1HZ LYS 90 1HZ LYS 90 11.608 -9.448 -4.377 783 2HZ LYS 90 2HZ LYS 90 12.149 -8.440 -3.120 784 3HZ LYS 90 3HZ LYS 90 11.396 -7.769 -4.489 785 H ARG 91 H ARG 91 6.977 -10.209 -6.155 786 HA ARG 91 HA ARG 91 4.165 -9.603 -6.234 787 1HB ARG 91 2HB ARG 91 3.498 -11.041 -8.096 788 2HB ARG 91 1HB ARG 91 4.598 -9.795 -8.684 789 1HG ARG 91 2HG ARG 91 6.484 -11.475 -8.350 790 2HG ARG 91 1HG ARG 91 5.233 -12.695 -8.106 791 1HD ARG 91 2HD ARG 91 5.811 -12.788 -10.430 792 2HD ARG 91 1HD ARG 91 4.253 -11.966 -10.339 793 HE ARG 91 HE ARG 91 5.310 -9.970 -11.063 794 1HH1 ARG 91 1HH2 ARG 91 7.558 -12.411 -10.124 795 2HH1 ARG 91 2HH2 ARG 91 8.937 -11.567 -10.747 796 1HH2 ARG 91 1HH1 ARG 91 7.098 -8.854 -11.881 797 2HH2 ARG 91 2HH1 ARG 91 8.676 -9.554 -11.742 798 H ILE 92 H ILE 92 3.290 -12.304 -6.756 799 HA ILE 92 HA ILE 92 4.716 -13.838 -4.617 800 HB ILE 92 HB ILE 92 1.706 -13.771 -4.965 801 1HG1 ILE 92 2HG1 ILE 92 3.504 -12.218 -3.077 802 2HG1 ILE 92 1HG1 ILE 92 2.396 -11.550 -4.274 803 1HG2 ILE 92 1HG2 ILE 92 3.347 -14.635 -2.577 804 2HG2 ILE 92 2HG2 ILE 92 2.920 -15.756 -3.869 805 3HG2 ILE 92 3HG2 ILE 92 1.652 -14.984 -2.917 806 1HD1 ILE 92 1HD1 ILE 92 1.231 -11.384 -2.210 807 2HD1 ILE 92 2HD1 ILE 92 1.719 -13.005 -1.715 808 3HD1 ILE 92 3HD1 ILE 92 0.538 -12.795 -3.008 809 H PHE 93 H PHE 93 1.855 -14.506 -6.658 810 HA PHE 93 HA PHE 93 2.831 -17.157 -7.297 811 1HB PHE 93 2HB PHE 93 0.736 -15.705 -8.908 812 2HB PHE 93 1HB PHE 93 0.845 -17.425 -8.538 813 HD1 PHE 93 1HD PHE 93 1.412 -17.296 -5.590 814 HD2 PHE 93 2HD PHE 93 -1.378 -15.110 -8.022 815 HE1 PHE 93 1HE PHE 93 -0.048 -16.964 -3.619 816 HE2 PHE 93 2HE PHE 93 -2.838 -14.780 -6.046 817 HZ PHE 93 HZ PHE 93 -2.173 -15.708 -3.844 818 H ARG 94 H ARG 94 4.206 -17.729 -8.912 819 HA ARG 94 HA ARG 94 5.256 -15.636 -10.687 820 1HB ARG 94 2HB ARG 94 5.955 -18.575 -10.784 821 2HB ARG 94 1HB ARG 94 6.951 -17.197 -11.259 822 1HG ARG 94 2HG ARG 94 6.866 -16.451 -8.827 823 2HG ARG 94 1HG ARG 94 6.155 -18.022 -8.457 824 1HD ARG 94 2HD ARG 94 8.441 -18.416 -8.114 825 2HD ARG 94 1HD ARG 94 8.207 -18.978 -9.770 826 HE ARG 94 HE ARG 94 9.560 -17.189 -10.506 827 1HH1 ARG 94 1HH2 ARG 94 8.417 -16.725 -7.287 828 2HH1 ARG 94 2HH2 ARG 94 9.384 -15.316 -7.004 829 1HH2 ARG 94 1HH1 ARG 94 10.830 -15.351 -10.156 830 2HH2 ARG 94 2HH1 ARG 94 10.750 -14.538 -8.628 831 H TYR 95 H TYR 95 3.292 -15.262 -11.941 832 HA TYR 95 HA TYR 95 1.983 -15.562 -13.863 833 1HB TYR 95 2HB TYR 95 3.719 -17.890 -14.655 834 2HB TYR 95 1HB TYR 95 2.979 -16.656 -15.676 835 HD1 TYR 95 1HD TYR 95 6.045 -17.726 -14.882 836 HD2 TYR 95 2HD TYR 95 3.716 -14.143 -14.440 837 HE1 TYR 95 1HE TYR 95 8.127 -16.384 -14.775 838 HE2 TYR 95 2HE TYR 95 5.799 -12.802 -14.334 839 HH TYR 95 HH TYR 95 8.786 -13.973 -15.261 Start of MODEL 7 1 H ALA 1 H ALA 1 -20.728 -10.440 9.617 2 HA ALA 1 HA ALA 1 -18.650 -10.583 8.035 3 1HB ALA 1 1HB ALA 1 -19.000 -12.395 10.431 4 2HB ALA 1 2HB ALA 1 -18.180 -10.836 10.363 5 3HB ALA 1 3HB ALA 1 -17.464 -12.245 9.579 6 H GLY 2 H GLY 2 -18.888 -11.500 5.992 7 1HA GLY 2 2HA GLY 2 -18.084 -14.138 5.512 8 2HA GLY 2 1HA GLY 2 -19.846 -14.191 5.563 9 H TYR 3 H TYR 3 -17.277 -12.164 4.106 10 HA TYR 3 HA TYR 3 -19.036 -11.483 1.857 11 1HB TYR 3 2HB TYR 3 -17.217 -10.095 1.098 12 2HB TYR 3 1HB TYR 3 -17.329 -9.900 2.846 13 HD1 TYR 3 1HD TYR 3 -15.538 -10.547 4.284 14 HD2 TYR 3 2HD TYR 3 -15.488 -11.662 0.136 15 HE1 TYR 3 1HE TYR 3 -13.192 -11.313 4.517 16 HE2 TYR 3 2HE TYR 3 -13.142 -12.429 0.369 17 HH TYR 3 HH TYR 3 -11.681 -13.285 2.393 18 H THR 4 H THR 4 -18.949 -12.386 -0.182 19 HA THR 4 HA THR 4 -17.115 -14.724 -0.524 20 HB THR 4 HB THR 4 -18.738 -15.673 -1.971 21 HG1 THR 4 1HG THR 4 -19.150 -13.208 -2.659 22 1HG2 THR 4 1HG2 THR 4 -20.677 -15.820 -0.605 23 2HG2 THR 4 2HG2 THR 4 -20.456 -14.186 0.019 24 3HG2 THR 4 3HG2 THR 4 -19.357 -15.475 0.511 25 H GLU 5 H GLU 5 -16.673 -15.073 -3.023 26 HA GLU 5 HA GLU 5 -14.956 -13.076 -3.946 27 1HB GLU 5 2HB GLU 5 -15.569 -14.085 -6.304 28 2HB GLU 5 1HB GLU 5 -14.743 -15.088 -5.113 29 1HG GLU 5 2HG GLU 5 -17.747 -15.030 -5.139 30 2HG GLU 5 1HG GLU 5 -16.895 -16.002 -6.338 31 H ILE 6 H ILE 6 -18.425 -13.460 -4.661 32 HA ILE 6 HA ILE 6 -18.687 -11.348 -6.527 33 HB ILE 6 HB ILE 6 -20.676 -12.209 -4.403 34 1HG1 ILE 6 2HG1 ILE 6 -20.454 -13.110 -7.289 35 2HG1 ILE 6 1HG1 ILE 6 -19.770 -14.019 -5.941 36 1HG2 ILE 6 1HG2 ILE 6 -22.309 -11.381 -6.174 37 2HG2 ILE 6 2HG2 ILE 6 -20.928 -10.631 -6.973 38 3HG2 ILE 6 3HG2 ILE 6 -21.387 -10.125 -5.348 39 1HD1 ILE 6 1HD1 ILE 6 -21.999 -14.884 -6.497 40 2HD1 ILE 6 2HD1 ILE 6 -22.691 -13.276 -6.281 41 3HD1 ILE 6 3HD1 ILE 6 -22.016 -14.139 -4.899 42 H GLU 7 H GLU 7 -19.219 -11.228 -2.983 43 HA GLU 7 HA GLU 7 -19.650 -8.463 -2.745 44 1HB GLU 7 2HB GLU 7 -18.336 -10.471 -0.910 45 2HB GLU 7 1HB GLU 7 -18.502 -8.778 -0.442 46 1HG GLU 7 2HG GLU 7 -20.843 -10.442 -1.397 47 2HG GLU 7 1HG GLU 7 -20.394 -10.316 0.305 48 H LYS 8 H LYS 8 -16.518 -10.188 -2.515 49 HA LYS 8 HA LYS 8 -14.804 -8.014 -2.196 50 1HB LYS 8 2HB LYS 8 -14.575 -10.693 -3.457 51 2HB LYS 8 1HB LYS 8 -13.358 -9.521 -3.960 52 1HG LYS 8 2HG LYS 8 -12.811 -9.078 -1.588 53 2HG LYS 8 1HG LYS 8 -14.009 -10.274 -1.094 54 1HD LYS 8 2HD LYS 8 -12.756 -12.070 -1.932 55 2HD LYS 8 1HD LYS 8 -11.833 -11.041 -3.028 56 1HE LYS 8 2HE LYS 8 -10.493 -10.182 -1.284 57 2HE LYS 8 1HE LYS 8 -11.620 -10.713 -0.036 58 1HZ LYS 8 1HZ LYS 8 -9.868 -12.409 -1.722 59 2HZ LYS 8 2HZ LYS 8 -11.108 -13.031 -0.741 60 3HZ LYS 8 3HZ LYS 8 -9.799 -12.207 -0.039 61 H LEU 9 H LEU 9 -16.216 -9.194 -5.263 62 HA LEU 9 HA LEU 9 -14.867 -7.273 -6.913 63 1HB LEU 9 2HB LEU 9 -15.965 -9.281 -7.839 64 2HB LEU 9 1HB LEU 9 -17.537 -8.653 -7.348 65 HG LEU 9 HG LEU 9 -17.198 -6.683 -8.817 66 1HD1 LEU 9 1HD1 LEU 9 -14.546 -8.034 -9.237 67 2HD1 LEU 9 2HD1 LEU 9 -14.902 -6.322 -9.005 68 3HD1 LEU 9 3HD1 LEU 9 -15.251 -7.092 -10.552 69 1HD2 LEU 9 1HD2 LEU 9 -17.546 -7.840 -10.915 70 2HD2 LEU 9 2HD2 LEU 9 -18.281 -8.808 -9.637 71 3HD2 LEU 9 3HD2 LEU 9 -16.721 -9.279 -10.311 72 H GLU 10 H GLU 10 -18.063 -7.236 -5.335 73 HA GLU 10 HA GLU 10 -18.962 -4.750 -6.357 74 1HB GLU 10 2HB GLU 10 -20.381 -6.333 -5.066 75 2HB GLU 10 1HB GLU 10 -19.492 -5.905 -3.604 76 1HG GLU 10 2HG GLU 10 -20.211 -3.586 -3.788 77 2HG GLU 10 1HG GLU 10 -20.997 -3.920 -5.332 78 H ILE 11 H ILE 11 -17.282 -5.374 -3.243 79 HA ILE 11 HA ILE 11 -16.981 -2.553 -2.685 80 HB ILE 11 HB ILE 11 -15.090 -3.605 -1.107 81 1HG1 ILE 11 2HG1 ILE 11 -16.894 -5.987 -1.259 82 2HG1 ILE 11 1HG1 ILE 11 -15.624 -5.851 -2.473 83 1HG2 ILE 11 1HG2 ILE 11 -17.055 -2.562 -0.213 84 2HG2 ILE 11 2HG2 ILE 11 -16.965 -4.168 0.510 85 3HG2 ILE 11 3HG2 ILE 11 -18.091 -3.857 -0.811 86 1HD1 ILE 11 1HD1 ILE 11 -15.147 -7.033 -0.146 87 2HD1 ILE 11 2HD1 ILE 11 -14.900 -5.374 0.394 88 3HD1 ILE 11 3HD1 ILE 11 -13.918 -6.030 -0.916 89 H VAL 12 H VAL 12 -14.427 -4.969 -3.406 90 HA VAL 12 HA VAL 12 -12.263 -3.346 -3.797 91 HB VAL 12 HB VAL 12 -13.110 -5.593 -5.645 92 1HG1 VAL 12 1HG1 VAL 12 -10.577 -5.749 -5.963 93 2HG1 VAL 12 2HG1 VAL 12 -10.488 -4.143 -5.241 94 3HG1 VAL 12 3HG1 VAL 12 -11.373 -4.384 -6.747 95 1HG2 VAL 12 1HG2 VAL 12 -11.967 -7.049 -4.170 96 2HG2 VAL 12 2HG2 VAL 12 -12.847 -5.972 -3.085 97 3HG2 VAL 12 3HG2 VAL 12 -11.126 -5.721 -3.372 98 H LYS 13 H LYS 13 -14.943 -3.697 -6.109 99 HA LYS 13 HA LYS 13 -13.621 -1.924 -8.009 100 1HB LYS 13 2HB LYS 13 -15.062 -3.680 -8.867 101 2HB LYS 13 1HB LYS 13 -16.428 -3.050 -7.945 102 1HG LYS 13 2HG LYS 13 -16.519 -1.055 -9.259 103 2HG LYS 13 1HG LYS 13 -14.952 -1.389 -9.998 104 1HD LYS 13 2HD LYS 13 -15.831 -3.236 -11.243 105 2HD LYS 13 1HD LYS 13 -17.339 -3.220 -10.326 106 1HE LYS 13 2HE LYS 13 -16.416 -0.878 -12.006 107 2HE LYS 13 1HE LYS 13 -17.463 -2.150 -12.632 108 1HZ LYS 13 1HZ LYS 13 -18.546 -1.386 -10.211 109 2HZ LYS 13 2HZ LYS 13 -19.159 -1.052 -11.760 110 3HZ LYS 13 3HZ LYS 13 -18.130 0.061 -10.992 111 H ASP 14 H ASP 14 -16.300 -1.585 -5.689 112 HA ASP 14 HA ASP 14 -16.869 1.138 -6.566 113 1HB ASP 14 2HB ASP 14 -18.568 -0.446 -5.593 114 2HB ASP 14 1HB ASP 14 -17.794 -0.214 -4.026 115 H HIS 15 H HIS 15 -15.163 -0.254 -3.760 116 HA HIS 15 HA HIS 15 -14.847 2.293 -2.451 117 1HB HIS 15 2HB HIS 15 -13.722 1.142 -0.784 118 2HB HIS 15 1HB HIS 15 -14.709 -0.136 -1.488 119 HD1 HIS 15 1HD HIS 15 -11.530 0.085 -0.226 120 HD2 HIS 15 2HD HIS 15 -12.892 -1.090 -3.989 121 HE1 HIS 15 1HE HIS 15 -9.688 -1.327 -1.245 122 HE2 HIS 15 2HE HIS 15 -10.509 -2.051 -3.533 123 H LEU 16 H LEU 16 -12.688 0.436 -4.596 124 HA LEU 16 HA LEU 16 -10.264 1.612 -4.253 125 1HB LEU 16 2HB LEU 16 -9.883 1.501 -6.718 126 2HB LEU 16 1HB LEU 16 -10.584 0.035 -6.043 127 HG LEU 16 HG LEU 16 -12.874 1.080 -6.689 128 1HD1 LEU 16 1HD1 LEU 16 -11.082 3.131 -7.644 129 2HD1 LEU 16 2HD1 LEU 16 -12.843 3.094 -7.700 130 3HD1 LEU 16 3HD1 LEU 16 -11.906 2.404 -9.021 131 1HD2 LEU 16 1HD2 LEU 16 -11.043 0.311 -8.975 132 2HD2 LEU 16 2HD2 LEU 16 -12.774 0.016 -8.836 133 3HD2 LEU 16 3HD2 LEU 16 -11.646 -0.861 -7.805 134 H LEU 17 H LEU 17 -12.998 3.333 -5.798 135 HA LEU 17 HA LEU 17 -11.276 5.621 -6.378 136 1HB LEU 17 2HB LEU 17 -14.084 4.883 -6.903 137 2HB LEU 17 1HB LEU 17 -13.828 6.606 -6.626 138 HG LEU 17 HG LEU 17 -12.002 5.103 -8.491 139 1HD1 LEU 17 1HD1 LEU 17 -14.270 4.576 -9.263 140 2HD1 LEU 17 2HD1 LEU 17 -13.514 5.736 -10.356 141 3HD1 LEU 17 3HD1 LEU 17 -14.710 6.282 -9.181 142 1HD2 LEU 17 1HD2 LEU 17 -11.838 7.343 -9.525 143 2HD2 LEU 17 2HD2 LEU 17 -11.443 7.415 -7.808 144 3HD2 LEU 17 3HD2 LEU 17 -13.021 7.961 -8.373 145 HA PRO 18 HA PRO 18 -13.765 7.961 -2.977 146 1HB PRO 18 2HB PRO 18 -15.310 6.341 -1.310 147 2HB PRO 18 1HB PRO 18 -15.929 7.301 -2.666 148 1HG PRO 18 2HG PRO 18 -15.264 4.409 -2.545 149 2HG PRO 18 1HG PRO 18 -16.591 5.227 -3.385 150 1HD PRO 18 2HD PRO 18 -14.413 4.341 -4.720 151 2HD PRO 18 1HD PRO 18 -15.256 5.835 -5.190 152 H LYS 19 H LYS 19 -13.177 4.620 -1.781 153 HA LYS 19 HA LYS 19 -12.203 5.216 0.752 154 1HB LYS 19 2HB LYS 19 -12.425 2.916 0.040 155 2HB LYS 19 1HB LYS 19 -11.203 3.134 -1.210 156 1HG LYS 19 2HG LYS 19 -10.344 1.975 0.848 157 2HG LYS 19 1HG LYS 19 -9.468 3.452 0.453 158 1HD LYS 19 2HD LYS 19 -10.471 4.665 2.202 159 2HD LYS 19 1HD LYS 19 -11.813 3.528 2.347 160 1HE LYS 19 2HE LYS 19 -10.466 1.899 3.417 161 2HE LYS 19 1HE LYS 19 -8.969 2.686 2.913 162 1HZ LYS 19 1HZ LYS 19 -9.365 4.476 4.389 163 2HZ LYS 19 2HZ LYS 19 -9.607 3.050 5.280 164 3HZ LYS 19 3HZ LYS 19 -10.941 3.949 4.732 165 H GLN 20 H GLN 20 -9.832 4.439 -1.778 166 HA GLN 20 HA GLN 20 -7.635 5.681 -0.600 167 1HB GLN 20 2HB GLN 20 -8.049 5.765 -3.583 168 2HB GLN 20 1HB GLN 20 -6.551 5.522 -2.687 169 1HG GLN 20 2HG GLN 20 -8.860 3.582 -2.963 170 2HG GLN 20 1HG GLN 20 -7.211 3.374 -3.552 171 1HE2 GLN 20 1HE2 GLN 20 -8.762 1.708 -1.545 172 2HE2 GLN 20 2HE2 GLN 20 -7.793 1.689 -0.152 173 H ILE 21 H ILE 21 -9.772 7.186 -3.060 174 HA ILE 21 HA ILE 21 -8.601 9.690 -3.214 175 HB ILE 21 HB ILE 21 -11.495 8.860 -3.276 176 1HG1 ILE 21 2HG1 ILE 21 -9.997 8.313 -5.186 177 2HG1 ILE 21 1HG1 ILE 21 -11.262 9.446 -5.651 178 1HG2 ILE 21 1HG2 ILE 21 -11.740 11.056 -2.439 179 2HG2 ILE 21 2HG2 ILE 21 -11.873 11.248 -4.186 180 3HG2 ILE 21 3HG2 ILE 21 -10.365 11.656 -3.368 181 1HD1 ILE 21 1HD1 ILE 21 -8.333 9.839 -5.515 182 2HD1 ILE 21 2HD1 ILE 21 -9.282 11.176 -4.872 183 3HD1 ILE 21 3HD1 ILE 21 -9.527 10.640 -6.532 184 H LYS 22 H LYS 22 -10.694 8.533 -0.568 185 HA LYS 22 HA LYS 22 -10.860 11.099 0.718 186 1HB LYS 22 2HB LYS 22 -12.314 9.019 1.139 187 2HB LYS 22 1HB LYS 22 -10.998 8.453 2.164 188 1HG LYS 22 2HG LYS 22 -12.254 9.593 3.743 189 2HG LYS 22 1HG LYS 22 -11.207 10.902 3.196 190 1HD LYS 22 2HD LYS 22 -12.999 11.486 1.496 191 2HD LYS 22 1HD LYS 22 -14.049 10.333 2.319 192 1HE LYS 22 2HE LYS 22 -14.478 12.561 3.202 193 2HE LYS 22 1HE LYS 22 -13.691 11.593 4.447 194 1HZ LYS 22 1HZ LYS 22 -12.625 13.698 4.374 195 2HZ LYS 22 2HZ LYS 22 -12.435 13.624 2.688 196 3HZ LYS 22 3HZ LYS 22 -11.553 12.575 3.691 197 H GLU 23 H GLU 23 -9.261 8.352 2.302 198 HA GLU 23 HA GLU 23 -7.569 9.763 3.965 199 1HB GLU 23 2HB GLU 23 -7.800 7.227 3.757 200 2HB GLU 23 1HB GLU 23 -6.624 7.321 2.445 201 1HG GLU 23 2HG GLU 23 -5.290 6.897 4.341 202 2HG GLU 23 1HG GLU 23 -5.162 8.644 4.134 203 H HIS 24 H HIS 24 -7.079 9.058 0.546 204 HA HIS 24 HA HIS 24 -4.461 10.368 0.477 205 1HB HIS 24 2HB HIS 24 -6.224 9.589 -1.861 206 2HB HIS 24 1HB HIS 24 -4.481 9.859 -1.878 207 HD1 HIS 24 1HD HIS 24 -6.256 7.896 0.821 208 HD2 HIS 24 2HD HIS 24 -3.755 7.187 -2.436 209 HE1 HIS 24 1HE HIS 24 -5.543 5.471 0.980 210 HE2 HIS 24 2HE HIS 24 -4.016 5.031 -0.994 211 H GLY 25 H GLY 25 -7.793 11.121 -0.416 212 1HA GLY 25 2HA GLY 25 -7.626 13.445 -1.864 213 2HA GLY 25 1HA GLY 25 -8.813 13.249 -0.576 214 H LEU 26 H LEU 26 -6.937 13.105 1.599 215 HA LEU 26 HA LEU 26 -6.762 15.674 2.530 216 1HB LEU 26 2HB LEU 26 -4.869 13.358 2.855 217 2HB LEU 26 1HB LEU 26 -4.475 14.913 3.588 218 HG LEU 26 HG LEU 26 -6.587 14.918 4.811 219 1HD1 LEU 26 1HD1 LEU 26 -8.089 13.836 3.310 220 2HD1 LEU 26 2HD1 LEU 26 -7.970 12.759 4.702 221 3HD1 LEU 26 3HD1 LEU 26 -7.081 12.392 3.224 222 1HD2 LEU 26 1HD2 LEU 26 -6.220 12.817 6.187 223 2HD2 LEU 26 2HD2 LEU 26 -4.778 13.804 5.950 224 3HD2 LEU 26 3HD2 LEU 26 -5.008 12.337 4.999 225 H LYS 27 H LYS 27 -4.486 14.196 0.224 226 HA LYS 27 HA LYS 27 -3.079 16.802 -0.048 227 1HB LYS 27 2HB LYS 27 -2.532 14.036 -1.170 228 2HB LYS 27 1HB LYS 27 -1.586 15.462 -1.594 229 1HG LYS 27 2HG LYS 27 -2.004 14.801 1.309 230 2HG LYS 27 1HG LYS 27 -0.804 13.895 0.387 231 1HD LYS 27 2HD LYS 27 0.230 16.065 -0.317 232 2HD LYS 27 1HD LYS 27 -0.907 16.908 0.736 233 1HE LYS 27 2HE LYS 27 0.099 16.120 2.680 234 2HE LYS 27 1HE LYS 27 0.752 14.686 1.887 235 1HZ LYS 27 1HZ LYS 27 2.551 15.794 1.156 236 2HZ LYS 27 2HZ LYS 27 2.210 16.824 2.464 237 3HZ LYS 27 3HZ LYS 27 1.709 17.242 0.896 238 H LYS 28 H LYS 28 -2.841 17.689 -2.268 239 HA LYS 28 HA LYS 28 -5.202 18.113 -3.652 240 1HB LYS 28 2HB LYS 28 -3.835 18.725 -5.600 241 2HB LYS 28 1HB LYS 28 -3.077 19.307 -4.118 242 1HG LYS 28 2HG LYS 28 -1.881 16.912 -4.232 243 2HG LYS 28 1HG LYS 28 -2.217 17.106 -5.953 244 1HD LYS 28 2HD LYS 28 -0.139 18.142 -5.805 245 2HD LYS 28 1HD LYS 28 -1.207 19.524 -5.561 246 1HE LYS 28 2HE LYS 28 -1.038 18.978 -3.044 247 2HE LYS 28 1HE LYS 28 0.332 17.961 -3.487 248 1HZ LYS 28 1HZ LYS 28 1.607 19.746 -3.643 249 2HZ LYS 28 2HZ LYS 28 0.317 20.708 -3.100 250 3HZ LYS 28 3HZ LYS 28 0.556 20.462 -4.764 251 H SER 29 H SER 29 -6.134 17.165 -5.593 252 HA SER 29 HA SER 29 -6.586 14.450 -5.644 253 1HB SER 29 2HB SER 29 -7.600 16.241 -7.171 254 2HB SER 29 1HB SER 29 -6.198 16.006 -8.211 255 HG SER 29 HG SER 29 -6.906 14.064 -8.745 256 H ASN 30 H ASN 30 -4.769 13.173 -5.187 257 HA ASN 30 HA ASN 30 -2.687 13.091 -7.335 258 1HB ASN 30 2HB ASN 30 -2.126 13.929 -4.874 259 2HB ASN 30 1HB ASN 30 -2.064 12.200 -4.539 260 1HD2 ASN 30 1HD2 ASN 30 -1.098 13.873 -7.576 261 2HD2 ASN 30 2HD2 ASN 30 0.525 13.382 -7.509 262 H LEU 31 H LEU 31 -4.821 11.494 -7.781 263 HA LEU 31 HA LEU 31 -3.641 8.836 -7.572 264 1HB LEU 31 2HB LEU 31 -5.040 9.420 -5.381 265 2HB LEU 31 1HB LEU 31 -6.400 8.983 -6.412 266 HG LEU 31 HG LEU 31 -3.989 7.258 -5.774 267 1HD1 LEU 31 1HD1 LEU 31 -5.533 7.210 -3.954 268 2HD1 LEU 31 2HD1 LEU 31 -5.865 5.757 -4.897 269 3HD1 LEU 31 3HD1 LEU 31 -6.920 7.163 -5.041 270 1HD2 LEU 31 1HD2 LEU 31 -4.546 6.762 -8.035 271 2HD2 LEU 31 2HD2 LEU 31 -6.275 6.922 -7.726 272 3HD2 LEU 31 3HD2 LEU 31 -5.388 5.538 -7.087 273 H GLN 32 H GLN 32 -3.994 8.059 -9.600 274 HA GLN 32 HA GLN 32 -6.722 8.297 -10.757 275 1HB GLN 32 2HB GLN 32 -4.373 9.739 -11.689 276 2HB GLN 32 1HB GLN 32 -4.970 8.654 -12.943 277 1HG GLN 32 2HG GLN 32 -6.073 10.835 -13.128 278 2HG GLN 32 1HG GLN 32 -7.245 9.602 -12.661 279 1HE2 GLN 32 1HE2 GLN 32 -8.675 10.915 -11.419 280 2HE2 GLN 32 2HE2 GLN 32 -8.198 11.737 -10.012 281 H LEU 33 H LEU 33 -6.794 6.005 -10.227 282 HA LEU 33 HA LEU 33 -4.967 4.301 -11.862 283 1HB LEU 33 2HB LEU 33 -5.983 2.447 -10.370 284 2HB LEU 33 1HB LEU 33 -4.852 3.571 -9.621 285 HG LEU 33 HG LEU 33 -6.803 4.934 -8.835 286 1HD1 LEU 33 1HD1 LEU 33 -8.270 2.734 -10.260 287 2HD1 LEU 33 2HD1 LEU 33 -8.622 4.462 -10.207 288 3HD1 LEU 33 3HD1 LEU 33 -8.993 3.445 -8.818 289 1HD2 LEU 33 1HD2 LEU 33 -5.701 3.212 -7.407 290 2HD2 LEU 33 2HD2 LEU 33 -6.872 2.024 -7.982 291 3HD2 LEU 33 3HD2 LEU 33 -7.412 3.406 -7.028 292 H ARG 34 H ARG 34 -6.119 2.216 -12.619 293 HA ARG 34 HA ARG 34 -8.870 2.857 -13.612 294 1HB ARG 34 2HB ARG 34 -6.769 1.411 -15.242 295 2HB ARG 34 1HB ARG 34 -8.322 2.038 -15.793 296 1HG ARG 34 2HG ARG 34 -7.481 4.351 -15.130 297 2HG ARG 34 1HG ARG 34 -5.886 3.619 -14.948 298 1HD ARG 34 2HD ARG 34 -5.921 2.883 -17.280 299 2HD ARG 34 1HD ARG 34 -7.555 3.517 -17.479 300 HE ARG 34 HE ARG 34 -5.937 5.659 -16.589 301 1HH1 ARG 34 1HH2 ARG 34 -6.243 3.481 -19.245 302 2HH1 ARG 34 2HH2 ARG 34 -5.607 4.600 -20.405 303 1HH2 ARG 34 1HH1 ARG 34 -5.107 7.130 -18.089 304 2HH2 ARG 34 2HH1 ARG 34 -4.965 6.665 -19.752 305 H ASP 35 H ASP 35 -10.223 1.000 -13.902 306 HA ASP 35 HA ASP 35 -10.096 -1.016 -11.991 307 1HB ASP 35 2HB ASP 35 -12.033 -0.494 -13.552 308 2HB ASP 35 1HB ASP 35 -11.203 -1.457 -14.774 309 H GLN 36 H GLN 36 -8.767 -1.119 -15.299 310 HA GLN 36 HA GLN 36 -7.868 -3.786 -15.328 311 1HB GLN 36 2HB GLN 36 -7.747 -2.146 -17.242 312 2HB GLN 36 1HB GLN 36 -6.338 -1.430 -16.460 313 1HG GLN 36 2HG GLN 36 -5.224 -3.662 -16.502 314 2HG GLN 36 1HG GLN 36 -6.608 -4.304 -17.388 315 1HE2 GLN 36 1HE2 GLN 36 -3.598 -3.596 -18.097 316 2HE2 GLN 36 2HE2 GLN 36 -3.756 -2.799 -19.586 317 H ALA 37 H ALA 37 -6.198 -0.896 -14.062 318 HA ALA 37 HA ALA 37 -3.803 -2.190 -13.264 319 1HB ALA 37 1HB ALA 37 -5.064 0.033 -11.659 320 2HB ALA 37 2HB ALA 37 -4.401 0.335 -13.266 321 3HB ALA 37 3HB ALA 37 -3.354 -0.260 -11.978 322 H ILE 38 H ILE 38 -6.598 -1.359 -11.172 323 HA ILE 38 HA ILE 38 -5.852 -2.673 -8.845 324 HB ILE 38 HB ILE 38 -8.578 -2.489 -10.153 325 1HG1 ILE 38 2HG1 ILE 38 -7.139 -0.463 -9.210 326 2HG1 ILE 38 1HG1 ILE 38 -8.872 -0.549 -8.908 327 1HG2 ILE 38 1HG2 ILE 38 -7.755 -3.633 -7.485 328 2HG2 ILE 38 2HG2 ILE 38 -8.829 -4.333 -8.697 329 3HG2 ILE 38 3HG2 ILE 38 -9.365 -2.956 -7.734 330 1HD1 ILE 38 1HD1 ILE 38 -7.316 -0.071 -6.890 331 2HD1 ILE 38 2HD1 ILE 38 -6.906 -1.783 -6.981 332 3HD1 ILE 38 3HD1 ILE 38 -8.574 -1.291 -6.688 333 H LEU 39 H LEU 39 -7.456 -4.160 -11.675 334 HA LEU 39 HA LEU 39 -7.642 -6.789 -10.632 335 1HB LEU 39 2HB LEU 39 -7.379 -5.716 -13.440 336 2HB LEU 39 1HB LEU 39 -7.492 -7.448 -13.130 337 HG LEU 39 HG LEU 39 -9.506 -5.617 -11.858 338 1HD1 LEU 39 1HD1 LEU 39 -10.943 -5.896 -13.884 339 2HD1 LEU 39 2HD1 LEU 39 -9.556 -6.576 -14.734 340 3HD1 LEU 39 3HD1 LEU 39 -9.520 -4.900 -14.187 341 1HD2 LEU 39 1HD2 LEU 39 -9.622 -8.431 -12.994 342 2HD2 LEU 39 2HD2 LEU 39 -10.937 -7.614 -12.150 343 3HD2 LEU 39 3HD2 LEU 39 -9.455 -8.023 -11.287 344 H ASP 40 H ASP 40 -5.003 -5.224 -12.427 345 HA ASP 40 HA ASP 40 -3.295 -7.477 -12.642 346 1HB ASP 40 2HB ASP 40 -2.911 -5.267 -13.757 347 2HB ASP 40 1HB ASP 40 -2.443 -4.602 -12.192 348 H ILE 41 H ILE 41 -3.585 -5.069 -10.029 349 HA ILE 41 HA ILE 41 -1.495 -6.055 -8.382 350 HB ILE 41 HB ILE 41 -4.116 -4.917 -7.381 351 1HG1 ILE 41 2HG1 ILE 41 -1.661 -3.470 -8.422 352 2HG1 ILE 41 1HG1 ILE 41 -3.236 -3.516 -9.210 353 1HG2 ILE 41 1HG2 ILE 41 -2.781 -4.124 -5.531 354 2HG2 ILE 41 2HG2 ILE 41 -1.291 -4.638 -6.322 355 3HG2 ILE 41 3HG2 ILE 41 -2.439 -5.841 -5.736 356 1HD1 ILE 41 1HD1 ILE 41 -2.587 -2.293 -6.517 357 2HD1 ILE 41 2HD1 ILE 41 -4.225 -2.487 -7.139 358 3HD1 ILE 41 3HD1 ILE 41 -3.083 -1.438 -7.979 359 H ILE 42 H ILE 42 -4.915 -6.524 -7.509 360 HA ILE 42 HA ILE 42 -4.594 -8.681 -5.802 361 HB ILE 42 HB ILE 42 -6.740 -7.354 -6.658 362 1HG1 ILE 42 2HG1 ILE 42 -6.748 -8.705 -4.654 363 2HG1 ILE 42 1HG1 ILE 42 -8.153 -9.158 -5.617 364 1HG2 ILE 42 1HG2 ILE 42 -8.170 -8.623 -8.099 365 2HG2 ILE 42 2HG2 ILE 42 -7.073 -10.002 -8.086 366 3HG2 ILE 42 3HG2 ILE 42 -6.609 -8.513 -8.910 367 1HD1 ILE 42 1HD1 ILE 42 -6.594 -10.992 -6.614 368 2HD1 ILE 42 2HD1 ILE 42 -7.245 -11.235 -4.994 369 3HD1 ILE 42 3HD1 ILE 42 -5.585 -10.677 -5.201 370 H ARG 43 H ARG 43 -4.790 -8.796 -9.346 371 HA ARG 43 HA ARG 43 -4.851 -11.637 -9.603 372 1HB ARG 43 2HB ARG 43 -5.299 -10.130 -11.495 373 2HB ARG 43 1HB ARG 43 -3.624 -9.578 -11.463 374 1HG ARG 43 2HG ARG 43 -2.797 -11.707 -12.124 375 2HG ARG 43 1HG ARG 43 -4.337 -12.497 -11.780 376 1HD ARG 43 2HD ARG 43 -3.824 -10.470 -13.976 377 2HD ARG 43 1HD ARG 43 -4.077 -12.201 -14.199 378 HE ARG 43 HE ARG 43 -6.346 -11.379 -12.842 379 1HH1 ARG 43 1HH2 ARG 43 -4.644 -10.410 -15.678 380 2HH1 ARG 43 2HH2 ARG 43 -6.062 -9.854 -16.502 381 1HH2 ARG 43 1HH1 ARG 43 -8.208 -10.657 -13.899 382 2HH2 ARG 43 2HH1 ARG 43 -8.081 -9.995 -15.494 383 H TYR 44 H TYR 44 -2.128 -9.364 -9.310 384 HA TYR 44 HA TYR 44 -0.072 -11.334 -9.726 385 1HB TYR 44 2HB TYR 44 -0.191 -8.583 -8.528 386 2HB TYR 44 1HB TYR 44 1.254 -9.559 -8.268 387 HD1 TYR 44 1HD TYR 44 -0.960 -9.579 -11.273 388 HD2 TYR 44 2HD TYR 44 2.845 -8.442 -9.633 389 HE1 TYR 44 1HE TYR 44 -0.156 -9.003 -13.541 390 HE2 TYR 44 2HE TYR 44 3.649 -7.866 -11.904 391 HH TYR 44 HH TYR 44 1.482 -7.996 -14.711 392 H TYR 45 H TYR 45 -1.754 -10.126 -6.858 393 HA TYR 45 HA TYR 45 -0.211 -11.911 -5.089 394 1HB TYR 45 2HB TYR 45 -2.529 -10.030 -4.564 395 2HB TYR 45 1HB TYR 45 -1.698 -10.958 -3.318 396 HD1 TYR 45 1HD TYR 45 -1.614 -8.008 -5.397 397 HD2 TYR 45 2HD TYR 45 0.789 -10.620 -2.983 398 HE1 TYR 45 1HE TYR 45 0.141 -6.265 -5.262 399 HE2 TYR 45 2HE TYR 45 2.546 -8.881 -2.846 400 HH TYR 45 HH TYR 45 3.102 -6.786 -3.339 401 H THR 46 H THR 46 -3.736 -11.408 -5.435 402 HA THR 46 HA THR 46 -5.480 -12.973 -5.504 403 HB THR 46 HB THR 46 -3.792 -15.343 -5.967 404 HG1 THR 46 1HG THR 46 -3.610 -14.099 -8.230 405 1HG2 THR 46 1HG2 THR 46 -6.274 -15.058 -6.418 406 2HG2 THR 46 2HG2 THR 46 -5.335 -15.686 -7.772 407 3HG2 THR 46 3HG2 THR 46 -5.829 -13.993 -7.751 408 H ARG 47 H ARG 47 -3.100 -12.817 -3.298 409 HA ARG 47 HA ARG 47 -3.546 -15.244 -1.776 410 1HB ARG 47 2HB ARG 47 -2.312 -14.049 0.018 411 2HB ARG 47 1HB ARG 47 -1.468 -13.970 -1.527 412 1HG ARG 47 2HG ARG 47 -1.382 -11.725 -1.146 413 2HG ARG 47 1HG ARG 47 -3.068 -11.727 -1.659 414 1HD ARG 47 2HD ARG 47 -3.162 -10.629 0.413 415 2HD ARG 47 1HD ARG 47 -3.576 -12.288 0.844 416 HE ARG 47 HE ARG 47 -1.516 -12.450 2.002 417 1HH1 ARG 47 1HH2 ARG 47 -1.669 -9.699 -0.070 418 2HH1 ARG 47 2HH2 ARG 47 -0.199 -9.002 0.526 419 1HH2 ARG 47 1HH1 ARG 47 0.404 -11.556 2.794 420 2HH2 ARG 47 2HH1 ARG 47 0.974 -10.052 2.147 421 H GLU 48 H GLU 48 -5.253 -15.668 -0.469 422 HA GLU 48 HA GLU 48 -7.233 -13.531 0.019 423 1HB GLU 48 2HB GLU 48 -8.648 -15.356 0.874 424 2HB GLU 48 1HB GLU 48 -8.002 -15.768 -0.715 425 1HG GLU 48 2HG GLU 48 -6.112 -16.966 0.501 426 2HG GLU 48 1HG GLU 48 -7.050 -16.761 1.980 427 H ALA 49 H ALA 49 -7.636 -12.650 2.034 428 HA ALA 49 HA ALA 49 -6.780 -13.833 4.513 429 1HB ALA 49 1HB ALA 49 -5.060 -11.983 5.008 430 2HB ALA 49 2HB ALA 49 -5.017 -11.717 3.266 431 3HB ALA 49 3HB ALA 49 -4.541 -13.279 3.932 432 H GLY 50 H GLY 50 -9.170 -12.689 3.573 433 1HA GLY 50 2HA GLY 50 -10.843 -11.311 4.511 434 2HA GLY 50 1HA GLY 50 -9.645 -10.710 5.660 435 H VAL 51 H VAL 51 -11.648 -9.423 3.643 436 HA VAL 51 HA VAL 51 -10.254 -8.021 1.637 437 HB VAL 51 HB VAL 51 -12.026 -6.314 1.823 438 1HG1 VAL 51 1HG1 VAL 51 -12.630 -8.313 0.630 439 2HG1 VAL 51 2HG1 VAL 51 -13.992 -7.918 1.679 440 3HG1 VAL 51 3HG1 VAL 51 -12.875 -9.206 2.132 441 1HG2 VAL 51 1HG2 VAL 51 -12.260 -6.040 4.183 442 2HG2 VAL 51 2HG2 VAL 51 -12.556 -7.761 4.427 443 3HG2 VAL 51 3HG2 VAL 51 -13.779 -6.760 3.646 444 H ARG 52 H ARG 52 -10.580 -7.270 5.092 445 HA ARG 52 HA ARG 52 -9.588 -4.723 5.323 446 1HB ARG 52 2HB ARG 52 -10.081 -6.331 7.215 447 2HB ARG 52 1HB ARG 52 -8.482 -7.024 6.953 448 1HG ARG 52 2HG ARG 52 -7.819 -5.449 8.473 449 2HG ARG 52 1HG ARG 52 -7.855 -4.367 7.082 450 1HD ARG 52 2HD ARG 52 -9.125 -3.280 8.788 451 2HD ARG 52 1HD ARG 52 -10.307 -3.932 7.653 452 HE ARG 52 HE ARG 52 -10.165 -5.963 9.432 453 1HH1 ARG 52 1HH2 ARG 52 -10.312 -2.539 9.841 454 2HH1 ARG 52 2HH2 ARG 52 -11.129 -2.625 11.364 455 1HH2 ARG 52 1HH1 ARG 52 -11.231 -6.089 11.419 456 2HH2 ARG 52 2HH1 ARG 52 -11.650 -4.633 12.257 457 H SER 53 H SER 53 -7.455 -7.598 5.077 458 HA SER 53 HA SER 53 -5.041 -6.109 4.822 459 1HB SER 53 2HB SER 53 -5.576 -8.801 3.564 460 2HB SER 53 1HB SER 53 -4.027 -8.151 4.091 461 HG SER 53 HG SER 53 -5.879 -9.496 5.498 462 H LEU 54 H LEU 54 -7.160 -7.508 2.316 463 HA LEU 54 HA LEU 54 -5.705 -6.750 0.045 464 1HB LEU 54 2HB LEU 54 -8.208 -7.818 0.483 465 2HB LEU 54 1HB LEU 54 -8.612 -6.233 -0.174 466 HG LEU 54 HG LEU 54 -6.804 -6.810 -1.986 467 1HD1 LEU 54 1HD1 LEU 54 -6.142 -8.905 -0.652 468 2HD1 LEU 54 2HD1 LEU 54 -6.407 -9.125 -2.380 469 3HD1 LEU 54 3HD1 LEU 54 -7.649 -9.612 -1.230 470 1HD2 LEU 54 1HD2 LEU 54 -8.589 -8.110 -3.270 471 2HD2 LEU 54 2HD2 LEU 54 -9.103 -6.557 -2.611 472 3HD2 LEU 54 3HD2 LEU 54 -9.558 -8.054 -1.797 473 H GLU 55 H GLU 55 -8.298 -4.827 1.593 474 HA GLU 55 HA GLU 55 -7.968 -2.454 0.142 475 1HB GLU 55 2HB GLU 55 -9.779 -2.692 1.746 476 2HB GLU 55 1HB GLU 55 -8.634 -2.823 3.080 477 1HG GLU 55 2HG GLU 55 -8.566 -0.394 1.308 478 2HG GLU 55 1HG GLU 55 -9.785 -0.509 2.576 479 H ARG 56 H ARG 56 -6.106 -3.658 2.921 480 HA ARG 56 HA ARG 56 -4.527 -1.306 3.313 481 1HB ARG 56 2HB ARG 56 -4.725 -3.466 4.770 482 2HB ARG 56 1HB ARG 56 -3.435 -4.082 3.739 483 1HG ARG 56 2HG ARG 56 -2.118 -1.997 4.281 484 2HG ARG 56 1HG ARG 56 -3.360 -1.595 5.467 485 1HD ARG 56 2HD ARG 56 -1.832 -2.744 6.799 486 2HD ARG 56 1HD ARG 56 -2.911 -4.054 6.323 487 HE ARG 56 HE ARG 56 -0.990 -4.073 4.342 488 1HH1 ARG 56 1HH2 ARG 56 -0.984 -4.072 7.790 489 2HH1 ARG 56 2HH2 ARG 56 0.489 -4.975 7.921 490 1HH2 ARG 56 1HH1 ARG 56 0.933 -5.252 4.493 491 2HH2 ARG 56 2HH1 ARG 56 1.575 -5.641 6.055 492 H GLN 57 H GLN 57 -4.097 -4.121 1.190 493 HA GLN 57 HA GLN 57 -1.480 -3.426 0.256 494 1HB GLN 57 2HB GLN 57 -3.721 -5.131 -0.805 495 2HB GLN 57 1HB GLN 57 -2.321 -4.798 -1.826 496 1HG GLN 57 2HG GLN 57 -2.111 -6.910 -0.473 497 2HG GLN 57 1HG GLN 57 -0.816 -5.747 -0.184 498 1HE2 GLN 57 1HE2 GLN 57 -1.130 -4.299 1.803 499 2HE2 GLN 57 2HE2 GLN 57 -1.946 -4.952 3.140 500 H LEU 58 H LEU 58 -4.713 -2.750 -1.129 501 HA LEU 58 HA LEU 58 -3.704 -1.213 -3.341 502 1HB LEU 58 2HB LEU 58 -6.393 -0.721 -2.065 503 2HB LEU 58 1HB LEU 58 -5.949 -0.627 -3.770 504 HG LEU 58 HG LEU 58 -6.148 -3.135 -2.085 505 1HD1 LEU 58 1HD1 LEU 58 -8.269 -2.053 -2.984 506 2HD1 LEU 58 2HD1 LEU 58 -7.989 -3.710 -3.520 507 3HD1 LEU 58 3HD1 LEU 58 -7.644 -2.361 -4.603 508 1HD2 LEU 58 1HD2 LEU 58 -5.668 -4.242 -4.347 509 2HD2 LEU 58 2HD2 LEU 58 -4.294 -3.466 -3.559 510 3HD2 LEU 58 3HD2 LEU 58 -5.119 -2.658 -4.892 511 H ALA 59 H ALA 59 -4.743 -0.338 -0.062 512 HA ALA 59 HA ALA 59 -4.511 2.498 -0.406 513 1HB ALA 59 1HB ALA 59 -4.299 0.684 2.008 514 2HB ALA 59 2HB ALA 59 -5.630 1.755 1.565 515 3HB ALA 59 3HB ALA 59 -4.106 2.433 2.139 516 H ALA 60 H ALA 60 -2.222 -0.051 0.426 517 HA ALA 60 HA ALA 60 -0.009 1.608 1.121 518 1HB ALA 60 1HB ALA 60 -0.204 -0.893 1.469 519 2HB ALA 60 2HB ALA 60 1.348 -0.353 0.829 520 3HB ALA 60 3HB ALA 60 0.157 -1.086 -0.246 521 H ILE 61 H ILE 61 -0.666 -0.012 -2.032 522 HA ILE 61 HA ILE 61 1.492 1.303 -3.377 523 HB ILE 61 HB ILE 61 0.134 -0.755 -4.145 524 1HG1 ILE 61 2HG1 ILE 61 1.073 1.526 -5.873 525 2HG1 ILE 61 1HG1 ILE 61 1.806 -0.059 -5.629 526 1HG2 ILE 61 1HG2 ILE 61 -1.837 -0.388 -5.426 527 2HG2 ILE 61 2HG2 ILE 61 -1.573 1.355 -5.479 528 3HG2 ILE 61 3HG2 ILE 61 -2.053 0.579 -3.973 529 1HD1 ILE 61 1HD1 ILE 61 0.873 -0.192 -7.796 530 2HD1 ILE 61 2HD1 ILE 61 -0.595 0.655 -7.311 531 3HD1 ILE 61 3HD1 ILE 61 -0.314 -1.002 -6.773 532 H CYS 62 H CYS 62 -1.973 2.124 -3.161 533 HA CYS 62 HA CYS 62 -1.992 4.331 -4.902 534 1HB CYS 62 2HB CYS 62 -3.512 3.986 -2.302 535 2HB CYS 62 1HB CYS 62 -3.908 5.154 -3.561 536 HG CYS 62 HG CYS 62 -3.818 2.484 -4.865 537 H ARG 63 H ARG 63 -1.688 4.582 -1.329 538 HA ARG 63 HA ARG 63 -0.859 7.314 -1.401 539 1HB ARG 63 2HB ARG 63 -1.709 5.923 0.591 540 2HB ARG 63 1HB ARG 63 -0.037 5.394 0.754 541 1HG ARG 63 2HG ARG 63 0.006 7.263 2.129 542 2HG ARG 63 1HG ARG 63 0.453 8.003 0.592 543 1HD ARG 63 2HD ARG 63 -1.989 8.503 0.212 544 2HD ARG 63 1HD ARG 63 -2.302 7.940 1.853 545 HE ARG 63 HE ARG 63 -1.155 10.501 1.136 546 1HH1 ARG 63 1HH2 ARG 63 -1.171 7.927 3.427 547 2HH1 ARG 63 2HH2 ARG 63 -0.667 8.924 4.751 548 1HH2 ARG 63 1HH1 ARG 63 -0.497 11.819 2.853 549 2HH2 ARG 63 2HH1 ARG 63 -0.287 11.127 4.426 550 H LYS 64 H LYS 64 1.084 4.311 -1.070 551 HA LYS 64 HA LYS 64 3.638 5.347 -0.825 552 1HB LYS 64 2HB LYS 64 3.211 2.927 -1.086 553 2HB LYS 64 1HB LYS 64 2.793 3.176 -2.780 554 1HG LYS 64 2HG LYS 64 4.976 3.382 -3.424 555 2HG LYS 64 1HG LYS 64 5.418 4.291 -1.979 556 1HD LYS 64 2HD LYS 64 5.452 2.229 -0.657 557 2HD LYS 64 1HD LYS 64 4.934 1.297 -2.063 558 1HE LYS 64 2HE LYS 64 7.441 2.982 -2.104 559 2HE LYS 64 1HE LYS 64 7.453 1.306 -1.555 560 1HZ LYS 64 1HZ LYS 64 7.671 0.783 -3.690 561 2HZ LYS 64 2HZ LYS 64 7.277 2.351 -4.214 562 3HZ LYS 64 3HZ LYS 64 6.045 1.227 -3.882 563 H ALA 65 H ALA 65 1.574 5.289 -3.661 564 HA ALA 65 HA ALA 65 3.501 6.581 -5.412 565 1HB ALA 65 1HB ALA 65 1.759 6.601 -7.026 566 2HB ALA 65 2HB ALA 65 0.502 6.562 -5.790 567 3HB ALA 65 3HB ALA 65 1.477 5.126 -6.100 568 H ALA 66 H ALA 66 0.789 7.612 -3.333 569 HA ALA 66 HA ALA 66 0.701 10.329 -4.230 570 1HB ALA 66 1HB ALA 66 0.164 9.378 -1.408 571 2HB ALA 66 2HB ALA 66 -0.986 9.181 -2.732 572 3HB ALA 66 3HB ALA 66 -0.511 10.797 -2.208 573 H LYS 67 H LYS 67 2.333 8.996 -1.326 574 HA LYS 67 HA LYS 67 3.715 11.424 -0.719 575 1HB LYS 67 2HB LYS 67 3.398 8.999 0.538 576 2HB LYS 67 1HB LYS 67 5.092 8.927 0.055 577 1HG LYS 67 2HG LYS 67 5.445 11.166 1.104 578 2HG LYS 67 1HG LYS 67 3.773 11.138 1.660 579 1HD LYS 67 2HD LYS 67 5.009 10.338 3.514 580 2HD LYS 67 1HD LYS 67 4.362 8.881 2.762 581 1HE LYS 67 2HE LYS 67 6.442 8.295 1.821 582 2HE LYS 67 1HE LYS 67 7.085 9.928 1.993 583 1HZ LYS 67 1HZ LYS 67 6.424 8.098 4.235 584 2HZ LYS 67 2HZ LYS 67 7.082 9.657 4.380 585 3HZ LYS 67 3HZ LYS 67 7.986 8.414 3.656 586 H ALA 68 H ALA 68 4.625 8.610 -2.672 587 HA ALA 68 HA ALA 68 7.341 9.320 -3.130 588 1HB ALA 68 1HB ALA 68 6.462 7.126 -3.766 589 2HB ALA 68 2HB ALA 68 7.140 7.925 -5.185 590 3HB ALA 68 3HB ALA 68 5.394 7.875 -4.953 591 H ILE 69 H ILE 69 4.751 11.211 -3.760 592 HA ILE 69 HA ILE 69 5.118 12.118 -6.432 593 HB ILE 69 HB ILE 69 3.181 12.745 -5.040 594 1HG1 ILE 69 2HG1 ILE 69 4.374 15.416 -5.533 595 2HG1 ILE 69 1HG1 ILE 69 4.468 14.309 -6.901 596 1HG2 ILE 69 1HG2 ILE 69 5.101 14.584 -3.586 597 2HG2 ILE 69 2HG2 ILE 69 4.558 13.035 -2.939 598 3HG2 ILE 69 3HG2 ILE 69 3.393 14.327 -3.231 599 1HD1 ILE 69 1HD1 ILE 69 2.350 15.764 -6.711 600 2HD1 ILE 69 2HD1 ILE 69 1.895 14.705 -5.377 601 3HD1 ILE 69 3HD1 ILE 69 2.121 14.038 -6.994 602 H VAL 70 H VAL 70 7.362 12.143 -3.985 603 HA VAL 70 HA VAL 70 8.559 14.680 -4.015 604 HB VAL 70 HB VAL 70 10.705 13.497 -3.575 605 1HG1 VAL 70 1HG1 VAL 70 9.864 12.164 -1.599 606 2HG1 VAL 70 2HG1 VAL 70 8.226 12.434 -2.193 607 3HG1 VAL 70 3HG1 VAL 70 9.220 13.804 -1.697 608 1HG2 VAL 70 1HG2 VAL 70 10.457 11.647 -5.147 609 2HG2 VAL 70 2HG2 VAL 70 9.043 11.055 -4.273 610 3HG2 VAL 70 3HG2 VAL 70 10.636 10.994 -3.519 611 H ALA 71 H ALA 71 8.077 12.588 -6.644 612 HA ALA 71 HA ALA 71 10.409 13.440 -8.194 613 1HB ALA 71 1HB ALA 71 9.555 11.280 -8.736 614 2HB ALA 71 2HB ALA 71 9.098 12.318 -10.086 615 3HB ALA 71 3HB ALA 71 7.903 11.885 -8.863 616 H GLU 72 H GLU 72 10.279 14.793 -10.099 617 HA GLU 72 HA GLU 72 8.294 16.962 -9.798 618 1HB GLU 72 2HB GLU 72 10.523 16.766 -11.837 619 2HB GLU 72 1HB GLU 72 9.692 18.220 -11.283 620 1HG GLU 72 2HG GLU 72 11.481 16.441 -9.600 621 2HG GLU 72 1HG GLU 72 11.884 18.051 -10.199 622 H GLU 73 H GLU 73 6.346 16.276 -10.665 623 HA GLU 73 HA GLU 73 6.207 16.026 -13.572 624 1HB GLU 73 2HB GLU 73 4.855 13.792 -13.244 625 2HB GLU 73 1HB GLU 73 6.616 13.736 -13.324 626 1HG GLU 73 2HG GLU 73 6.776 13.689 -10.897 627 2HG GLU 73 1HG GLU 73 5.032 13.902 -10.745 628 H ARG 74 H ARG 74 3.897 15.947 -14.287 629 HA ARG 74 HA ARG 74 2.272 17.833 -13.024 630 1HB ARG 74 2HB ARG 74 1.623 15.520 -14.846 631 2HB ARG 74 1HB ARG 74 0.344 16.564 -14.225 632 1HG ARG 74 2HG ARG 74 1.523 18.540 -15.142 633 2HG ARG 74 1HG ARG 74 2.774 17.481 -15.793 634 1HD ARG 74 2HD ARG 74 1.343 16.555 -17.394 635 2HD ARG 74 1HD ARG 74 -0.109 16.975 -16.486 636 HE ARG 74 HE ARG 74 1.329 18.729 -18.337 637 1HH1 ARG 74 1HH2 ARG 74 -0.786 18.435 -15.630 638 2HH1 ARG 74 2HH2 ARG 74 -1.530 19.979 -15.873 639 1HH2 ARG 74 1HH1 ARG 74 0.369 20.748 -18.672 640 2HH2 ARG 74 2HH1 ARG 74 -0.876 21.290 -17.596 641 H LYS 75 H LYS 75 0.119 17.431 -11.929 642 HA LYS 75 HA LYS 75 0.533 15.672 -9.636 643 1HB LYS 75 2HB LYS 75 -2.047 17.095 -10.283 644 2HB LYS 75 1HB LYS 75 -1.369 16.709 -8.701 645 1HG LYS 75 2HG LYS 75 0.496 18.298 -9.147 646 2HG LYS 75 1HG LYS 75 -0.272 18.731 -10.675 647 1HD LYS 75 2HD LYS 75 -2.357 19.291 -9.290 648 2HD LYS 75 1HD LYS 75 -1.308 19.196 -7.876 649 1HE LYS 75 2HE LYS 75 -1.183 21.133 -10.180 650 2HE LYS 75 1HE LYS 75 -1.226 21.479 -8.451 651 1HZ LYS 75 1HZ LYS 75 1.019 20.279 -9.976 652 2HZ LYS 75 2HZ LYS 75 0.979 20.406 -8.282 653 3HZ LYS 75 3HZ LYS 75 0.987 21.808 -9.241 654 H ARG 76 H ARG 76 -2.034 14.719 -9.121 655 HA ARG 76 HA ARG 76 -3.293 12.780 -9.548 656 1HB ARG 76 2HB ARG 76 -3.199 13.634 -12.442 657 2HB ARG 76 1HB ARG 76 -4.514 12.836 -11.577 658 1HG ARG 76 2HG ARG 76 -4.517 14.974 -10.083 659 2HG ARG 76 1HG ARG 76 -3.623 15.710 -11.415 660 1HD ARG 76 2HD ARG 76 -6.444 14.686 -11.363 661 2HD ARG 76 1HD ARG 76 -5.815 16.190 -12.038 662 HE ARG 76 HE ARG 76 -4.641 14.312 -13.643 663 1HH1 ARG 76 1HH2 ARG 76 -7.848 14.833 -12.490 664 2HH1 ARG 76 2HH2 ARG 76 -8.605 14.140 -13.886 665 1HH2 ARG 76 1HH1 ARG 76 -5.610 13.403 -15.472 666 2HH2 ARG 76 2HH1 ARG 76 -7.337 13.329 -15.574 667 H ILE 77 H ILE 77 -1.612 11.249 -9.112 668 HA ILE 77 HA ILE 77 0.261 10.441 -11.180 669 HB ILE 77 HB ILE 77 -0.549 8.981 -8.647 670 1HG1 ILE 77 2HG1 ILE 77 1.791 10.852 -9.135 671 2HG1 ILE 77 1HG1 ILE 77 0.304 11.331 -8.315 672 1HG2 ILE 77 1HG2 ILE 77 1.851 8.761 -10.491 673 2HG2 ILE 77 2HG2 ILE 77 0.618 7.530 -10.215 674 3HG2 ILE 77 3HG2 ILE 77 1.731 7.969 -8.920 675 1HD1 ILE 77 1HD1 ILE 77 2.056 10.685 -6.693 676 2HD1 ILE 77 2HD1 ILE 77 2.143 9.087 -7.435 677 3HD1 ILE 77 3HD1 ILE 77 0.670 9.597 -6.610 678 H THR 78 H THR 78 -0.199 9.107 -12.862 679 HA THR 78 HA THR 78 -2.782 7.678 -12.884 680 HB THR 78 HB THR 78 -0.702 7.652 -15.074 681 HG1 THR 78 1HG THR 78 -2.695 9.596 -14.534 682 1HG2 THR 78 1HG2 THR 78 -2.572 7.218 -16.502 683 2HG2 THR 78 2HG2 THR 78 -3.722 7.616 -15.225 684 3HG2 THR 78 3HG2 THR 78 -2.754 6.146 -15.113 685 H VAL 79 H VAL 79 -2.972 5.484 -12.587 686 HA VAL 79 HA VAL 79 -0.425 3.923 -12.322 687 HB VAL 79 HB VAL 79 -3.096 3.193 -11.111 688 1HG1 VAL 79 1HG1 VAL 79 -1.270 1.466 -11.367 689 2HG1 VAL 79 2HG1 VAL 79 -1.766 1.756 -9.700 690 3HG1 VAL 79 3HG1 VAL 79 -0.268 2.459 -10.309 691 1HG2 VAL 79 1HG2 VAL 79 -2.580 5.334 -10.161 692 2HG2 VAL 79 2HG2 VAL 79 -0.870 4.928 -10.014 693 3HG2 VAL 79 3HG2 VAL 79 -2.058 4.135 -8.978 694 H THR 80 H THR 80 -0.350 1.844 -13.287 695 HA THR 80 HA THR 80 -2.667 1.028 -14.963 696 HB THR 80 HB THR 80 -1.369 0.849 -16.961 697 HG1 THR 80 1HG THR 80 0.857 1.566 -15.357 698 1HG2 THR 80 1HG2 THR 80 -0.654 3.147 -17.350 699 2HG2 THR 80 2HG2 THR 80 -0.547 3.435 -15.613 700 3HG2 THR 80 3HG2 THR 80 -2.118 3.150 -16.364 701 H GLU 81 H GLU 81 -0.985 -0.984 -16.320 702 HA GLU 81 HA GLU 81 -0.895 -2.933 -14.094 703 1HB GLU 81 2HB GLU 81 -0.380 -4.519 -16.099 704 2HB GLU 81 1HB GLU 81 -2.005 -3.849 -15.953 705 1HG GLU 81 2HG GLU 81 -1.534 -2.147 -17.592 706 2HG GLU 81 1HG GLU 81 0.178 -2.569 -17.618 707 H LYS 82 H LYS 82 1.272 -1.552 -16.566 708 HA LYS 82 HA LYS 82 3.571 -3.086 -15.687 709 1HB LYS 82 2HB LYS 82 4.859 -1.640 -17.146 710 2HB LYS 82 1HB LYS 82 3.345 -2.029 -17.964 711 1HG LYS 82 2HG LYS 82 2.415 0.137 -16.979 712 2HG LYS 82 1HG LYS 82 4.076 0.538 -16.542 713 1HD LYS 82 2HD LYS 82 4.639 0.045 -19.020 714 2HD LYS 82 1HD LYS 82 2.901 0.166 -19.296 715 1HE LYS 82 2HE LYS 82 2.872 2.427 -18.375 716 2HE LYS 82 1HE LYS 82 4.585 2.310 -17.969 717 1HZ LYS 82 1HZ LYS 82 5.013 1.944 -20.371 718 2HZ LYS 82 2HZ LYS 82 4.387 3.482 -20.011 719 3HZ LYS 82 3HZ LYS 82 3.381 2.287 -20.680 720 H ASN 83 H ASN 83 2.328 0.169 -15.014 721 HA ASN 83 HA ASN 83 4.488 1.138 -13.465 722 1HB ASN 83 2HB ASN 83 1.514 1.657 -13.370 723 2HB ASN 83 1HB ASN 83 2.627 2.467 -12.266 724 1HD2 ASN 83 1HD2 ASN 83 1.157 2.813 -15.269 725 2HD2 ASN 83 2HD2 ASN 83 2.255 3.896 -15.977 726 H LEU 84 H LEU 84 1.763 -0.948 -12.557 727 HA LEU 84 HA LEU 84 1.846 -1.048 -9.829 728 1HB LEU 84 2HB LEU 84 0.424 -2.509 -11.168 729 2HB LEU 84 1HB LEU 84 1.826 -3.394 -11.751 730 HG LEU 84 HG LEU 84 0.491 -4.485 -9.880 731 1HD1 LEU 84 1HD1 LEU 84 3.204 -4.191 -8.749 732 2HD1 LEU 84 2HD1 LEU 84 3.166 -4.615 -10.460 733 3HD1 LEU 84 3HD1 LEU 84 2.353 -5.638 -9.279 734 1HD2 LEU 84 1HD2 LEU 84 0.662 -3.668 -7.663 735 2HD2 LEU 84 2HD2 LEU 84 0.291 -2.247 -8.636 736 3HD2 LEU 84 3HD2 LEU 84 1.943 -2.536 -8.092 737 H GLN 85 H GLN 85 4.190 -2.662 -11.990 738 HA GLN 85 HA GLN 85 5.785 -3.774 -9.878 739 1HB GLN 85 2HB GLN 85 6.662 -2.953 -12.665 740 2HB GLN 85 1HB GLN 85 7.501 -4.079 -11.598 741 1HG GLN 85 2HG GLN 85 5.689 -5.659 -11.709 742 2HG GLN 85 1HG GLN 85 4.654 -4.498 -12.541 743 1HE2 GLN 85 1HE2 GLN 85 5.762 -3.627 -14.703 744 2HE2 GLN 85 2HE2 GLN 85 6.499 -4.816 -15.664 745 H ASP 86 H ASP 86 5.952 -0.703 -11.666 746 HA ASP 86 HA ASP 86 8.374 0.276 -10.583 747 1HB ASP 86 2HB ASP 86 5.860 1.791 -11.351 748 2HB ASP 86 1HB ASP 86 7.421 2.545 -11.032 749 H PHE 87 H PHE 87 5.077 0.349 -9.258 750 HA PHE 87 HA PHE 87 5.916 1.865 -6.896 751 1HB PHE 87 2HB PHE 87 3.354 0.397 -7.592 752 2HB PHE 87 1HB PHE 87 3.593 1.288 -6.091 753 HD1 PHE 87 1HD PHE 87 2.333 1.541 -9.356 754 HD2 PHE 87 2HD PHE 87 4.611 3.753 -6.460 755 HE1 PHE 87 1HE PHE 87 1.729 3.659 -10.494 756 HE2 PHE 87 2HE PHE 87 4.008 5.868 -7.601 757 HZ PHE 87 HZ PHE 87 2.568 5.822 -9.620 758 H ILE 88 H ILE 88 4.355 -1.339 -7.138 759 HA ILE 88 HA ILE 88 5.505 -2.188 -4.618 760 HB ILE 88 HB ILE 88 3.640 -3.251 -6.624 761 1HG1 ILE 88 2HG1 ILE 88 3.756 -3.868 -3.676 762 2HG1 ILE 88 1HG1 ILE 88 3.203 -2.298 -4.258 763 1HG2 ILE 88 1HG2 ILE 88 5.152 -5.093 -6.813 764 2HG2 ILE 88 2HG2 ILE 88 3.895 -5.605 -5.689 765 3HG2 ILE 88 3HG2 ILE 88 5.467 -5.094 -5.076 766 1HD1 ILE 88 1HD1 ILE 88 2.028 -4.768 -5.487 767 2HD1 ILE 88 2HD1 ILE 88 1.302 -3.178 -5.254 768 3HD1 ILE 88 3HD1 ILE 88 1.478 -4.276 -3.885 769 H GLY 89 H GLY 89 6.006 -3.276 -7.998 770 1HA GLY 89 2HA GLY 89 7.937 -4.152 -9.012 771 2HA GLY 89 1HA GLY 89 8.859 -3.488 -7.662 772 H LYS 90 H LYS 90 7.698 -4.858 -5.520 773 HA LYS 90 HA LYS 90 9.020 -7.419 -5.735 774 1HB LYS 90 2HB LYS 90 7.076 -6.440 -3.618 775 2HB LYS 90 1HB LYS 90 8.179 -7.806 -3.460 776 1HG LYS 90 2HG LYS 90 9.289 -5.105 -4.177 777 2HG LYS 90 1HG LYS 90 8.862 -5.440 -2.501 778 1HD LYS 90 2HD LYS 90 10.516 -7.458 -3.986 779 2HD LYS 90 1HD LYS 90 11.296 -5.989 -3.405 780 1HE LYS 90 2HE LYS 90 10.568 -6.447 -1.126 781 2HE LYS 90 1HE LYS 90 9.649 -7.850 -1.668 782 1HZ LYS 90 1HZ LYS 90 11.742 -8.824 -2.461 783 2HZ LYS 90 2HZ LYS 90 11.752 -8.552 -0.783 784 3HZ LYS 90 3HZ LYS 90 12.593 -7.503 -1.823 785 H ARG 91 H ARG 91 8.089 -9.483 -5.939 786 HA ARG 91 HA ARG 91 5.139 -9.649 -6.279 787 1HB ARG 91 2HB ARG 91 5.483 -10.984 -8.386 788 2HB ARG 91 1HB ARG 91 5.922 -9.283 -8.543 789 1HG ARG 91 2HG ARG 91 8.292 -9.856 -8.152 790 2HG ARG 91 1HG ARG 91 7.854 -11.559 -8.003 791 1HD ARG 91 2HD ARG 91 8.583 -11.293 -10.256 792 2HD ARG 91 1HD ARG 91 6.822 -11.341 -10.339 793 HE ARG 91 HE ARG 91 7.626 -8.622 -10.072 794 1HH1 ARG 91 1HH2 ARG 91 7.775 -11.297 -12.240 795 2HH1 ARG 91 2HH2 ARG 91 7.808 -10.312 -13.664 796 1HH2 ARG 91 1HH1 ARG 91 7.672 -7.319 -11.921 797 2HH2 ARG 91 2HH1 ARG 91 7.751 -8.060 -13.484 798 H ILE 92 H ILE 92 4.431 -11.971 -6.363 799 HA ILE 92 HA ILE 92 6.385 -13.809 -5.035 800 HB ILE 92 HB ILE 92 3.482 -13.355 -4.277 801 1HG1 ILE 92 2HG1 ILE 92 5.986 -13.041 -2.602 802 2HG1 ILE 92 1HG1 ILE 92 5.242 -11.699 -3.473 803 1HG2 ILE 92 1HG2 ILE 92 3.920 -15.701 -4.074 804 2HG2 ILE 92 2HG2 ILE 92 4.084 -15.029 -2.452 805 3HG2 ILE 92 3HG2 ILE 92 5.522 -15.409 -3.398 806 1HD1 ILE 92 1HD1 ILE 92 3.685 -13.435 -1.548 807 2HD1 ILE 92 2HD1 ILE 92 3.225 -11.866 -2.210 808 3HD1 ILE 92 3HD1 ILE 92 4.532 -11.976 -1.031 809 H PHE 93 H PHE 93 3.249 -13.570 -6.730 810 HA PHE 93 HA PHE 93 3.364 -16.394 -7.512 811 1HB PHE 93 2HB PHE 93 1.501 -14.139 -8.310 812 2HB PHE 93 1HB PHE 93 1.303 -15.816 -8.815 813 HD1 PHE 93 1HD PHE 93 1.652 -13.676 -5.764 814 HD2 PHE 93 2HD PHE 93 0.169 -17.346 -7.433 815 HE1 PHE 93 1HE PHE 93 0.505 -14.185 -3.625 816 HE2 PHE 93 2HE PHE 93 -0.978 -17.855 -5.294 817 HZ PHE 93 HZ PHE 93 -0.810 -16.275 -3.391 818 H ARG 94 H ARG 94 3.463 -17.079 -9.774 819 HA ARG 94 HA ARG 94 5.156 -15.240 -11.417 820 1HB ARG 94 2HB ARG 94 4.812 -18.232 -11.753 821 2HB ARG 94 1HB ARG 94 6.038 -17.206 -12.496 822 1HG ARG 94 2HG ARG 94 5.770 -17.539 -9.496 823 2HG ARG 94 1HG ARG 94 6.823 -18.550 -10.484 824 1HD ARG 94 2HD ARG 94 7.832 -16.349 -11.360 825 2HD ARG 94 1HD ARG 94 7.004 -15.573 -10.010 826 HE ARG 94 HE ARG 94 8.336 -17.550 -8.719 827 1HH1 ARG 94 1HH2 ARG 94 9.268 -15.330 -11.192 828 2HH1 ARG 94 2HH2 ARG 94 10.929 -15.285 -10.707 829 1HH2 ARG 94 1HH1 ARG 94 10.500 -17.501 -8.076 830 2HH2 ARG 94 2HH1 ARG 94 11.627 -16.514 -8.944 831 H TYR 95 H TYR 95 2.817 -14.324 -11.808 832 HA TYR 95 HA TYR 95 1.093 -13.975 -13.355 833 1HB TYR 95 2HB TYR 95 3.252 -14.352 -14.840 834 2HB TYR 95 1HB TYR 95 2.436 -15.851 -15.279 835 HD1 TYR 95 1HD TYR 95 0.483 -15.850 -16.680 836 HD2 TYR 95 2HD TYR 95 2.144 -12.152 -15.259 837 HE1 TYR 95 1HE TYR 95 -0.971 -14.593 -18.248 838 HE2 TYR 95 2HE TYR 95 0.691 -10.896 -16.827 839 HH TYR 95 HH TYR 95 -0.479 -11.436 -19.082 Start of MODEL 8 1 H ALA 1 H ALA 1 -20.716 -13.580 7.393 2 HA ALA 1 HA ALA 1 -18.022 -13.019 7.782 3 1HB ALA 1 1HB ALA 1 -18.713 -15.482 9.399 4 2HB ALA 1 2HB ALA 1 -18.526 -13.889 10.134 5 3HB ALA 1 3HB ALA 1 -17.163 -14.645 9.309 6 H GLY 2 H GLY 2 -18.498 -13.450 5.476 7 1HA GLY 2 2HA GLY 2 -17.532 -16.012 4.632 8 2HA GLY 2 1HA GLY 2 -19.283 -15.952 4.421 9 H TYR 3 H TYR 3 -16.707 -13.509 3.949 10 HA TYR 3 HA TYR 3 -17.996 -12.535 1.530 11 1HB TYR 3 2HB TYR 3 -16.359 -10.862 1.520 12 2HB TYR 3 1HB TYR 3 -16.473 -11.252 3.232 13 HD1 TYR 3 1HD TYR 3 -14.212 -10.658 0.663 14 HD2 TYR 3 2HD TYR 3 -14.913 -13.401 3.892 15 HE1 TYR 3 1HE TYR 3 -11.807 -11.249 0.680 16 HE2 TYR 3 2HE TYR 3 -12.507 -13.993 3.910 17 HH TYR 3 HH TYR 3 -10.242 -12.549 1.562 18 H THR 4 H THR 4 -17.872 -13.581 -0.381 19 HA THR 4 HA THR 4 -15.524 -15.350 -0.893 20 HB THR 4 HB THR 4 -16.950 -16.764 -1.953 21 HG1 THR 4 1HG THR 4 -17.186 -15.663 -3.798 22 1HG2 THR 4 1HG2 THR 4 -18.258 -16.067 0.076 23 2HG2 THR 4 2HG2 THR 4 -19.264 -16.640 -1.256 24 3HG2 THR 4 3HG2 THR 4 -19.120 -14.911 -0.939 25 H GLU 5 H GLU 5 -15.356 -15.449 -3.563 26 HA GLU 5 HA GLU 5 -13.909 -13.206 -4.350 27 1HB GLU 5 2HB GLU 5 -15.520 -15.149 -6.020 28 2HB GLU 5 1HB GLU 5 -14.456 -13.934 -6.728 29 1HG GLU 5 2HG GLU 5 -13.178 -15.964 -6.546 30 2HG GLU 5 1HG GLU 5 -12.592 -14.873 -5.289 31 H ILE 6 H ILE 6 -17.348 -13.832 -5.164 32 HA ILE 6 HA ILE 6 -17.929 -11.539 -6.599 33 HB ILE 6 HB ILE 6 -20.194 -11.701 -5.130 34 1HG1 ILE 6 2HG1 ILE 6 -19.042 -14.483 -4.905 35 2HG1 ILE 6 1HG1 ILE 6 -18.907 -13.320 -3.585 36 1HG2 ILE 6 1HG2 ILE 6 -20.140 -12.168 -7.492 37 2HG2 ILE 6 2HG2 ILE 6 -20.864 -13.568 -6.701 38 3HG2 ILE 6 3HG2 ILE 6 -19.184 -13.627 -7.237 39 1HD1 ILE 6 1HD1 ILE 6 -21.367 -13.057 -3.575 40 2HD1 ILE 6 2HD1 ILE 6 -20.900 -14.733 -3.287 41 3HD1 ILE 6 3HD1 ILE 6 -21.493 -14.244 -4.874 42 H GLU 7 H GLU 7 -18.154 -11.769 -3.018 43 HA GLU 7 HA GLU 7 -18.773 -9.074 -2.527 44 1HB GLU 7 2HB GLU 7 -18.439 -11.107 -0.877 45 2HB GLU 7 1HB GLU 7 -16.795 -10.483 -0.750 46 1HG GLU 7 2HG GLU 7 -18.085 -9.440 1.000 47 2HG GLU 7 1HG GLU 7 -17.799 -8.214 -0.235 48 H LYS 8 H LYS 8 -15.498 -10.524 -2.615 49 HA LYS 8 HA LYS 8 -13.960 -8.226 -2.283 50 1HB LYS 8 2HB LYS 8 -13.370 -10.372 -4.342 51 2HB LYS 8 1HB LYS 8 -12.201 -9.330 -3.532 52 1HG LYS 8 2HG LYS 8 -13.075 -10.334 -1.335 53 2HG LYS 8 1HG LYS 8 -13.851 -11.559 -2.340 54 1HD LYS 8 2HD LYS 8 -11.462 -11.775 -3.427 55 2HD LYS 8 1HD LYS 8 -10.921 -11.033 -1.921 56 1HE LYS 8 2HE LYS 8 -10.872 -13.208 -1.200 57 2HE LYS 8 1HE LYS 8 -12.594 -12.934 -0.932 58 1HZ LYS 8 1HZ LYS 8 -13.152 -14.009 -2.890 59 2HZ LYS 8 2HZ LYS 8 -11.876 -14.960 -2.296 60 3HZ LYS 8 3HZ LYS 8 -11.599 -13.852 -3.554 61 H LEU 9 H LEU 9 -15.497 -9.343 -5.311 62 HA LEU 9 HA LEU 9 -14.395 -7.231 -6.921 63 1HB LEU 9 2HB LEU 9 -16.626 -9.204 -7.199 64 2HB LEU 9 1HB LEU 9 -16.640 -7.812 -8.278 65 HG LEU 9 HG LEU 9 -15.432 -9.845 -9.182 66 1HD1 LEU 9 1HD1 LEU 9 -14.936 -7.269 -9.655 67 2HD1 LEU 9 2HD1 LEU 9 -13.920 -8.535 -10.338 68 3HD1 LEU 9 3HD1 LEU 9 -13.395 -7.668 -8.897 69 1HD2 LEU 9 1HD2 LEU 9 -13.177 -9.112 -7.323 70 2HD2 LEU 9 2HD2 LEU 9 -13.433 -10.604 -8.225 71 3HD2 LEU 9 3HD2 LEU 9 -14.412 -10.259 -6.802 72 H GLU 10 H GLU 10 -17.484 -7.541 -5.170 73 HA GLU 10 HA GLU 10 -18.641 -5.099 -6.010 74 1HB GLU 10 2HB GLU 10 -18.859 -6.618 -3.401 75 2HB GLU 10 1HB GLU 10 -19.831 -5.189 -3.760 76 1HG GLU 10 2HG GLU 10 -20.788 -6.272 -5.718 77 2HG GLU 10 1HG GLU 10 -19.733 -7.668 -5.501 78 H ILE 11 H ILE 11 -16.623 -5.713 -3.112 79 HA ILE 11 HA ILE 11 -16.485 -2.880 -2.472 80 HB ILE 11 HB ILE 11 -14.479 -3.872 -1.002 81 1HG1 ILE 11 2HG1 ILE 11 -16.165 -6.341 -1.132 82 2HG1 ILE 11 1HG1 ILE 11 -14.966 -6.111 -2.403 83 1HG2 ILE 11 1HG2 ILE 11 -16.513 -2.939 -0.060 84 2HG2 ILE 11 2HG2 ILE 11 -16.209 -4.499 0.704 85 3HG2 ILE 11 3HG2 ILE 11 -17.438 -4.357 -0.553 86 1HD1 ILE 11 1HD1 ILE 11 -14.162 -5.694 0.459 87 2HD1 ILE 11 2HD1 ILE 11 -13.174 -6.179 -0.918 88 3HD1 ILE 11 3HD1 ILE 11 -14.281 -7.334 -0.178 89 H VAL 12 H VAL 12 -13.801 -5.124 -3.279 90 HA VAL 12 HA VAL 12 -11.784 -3.342 -3.755 91 HB VAL 12 HB VAL 12 -12.459 -5.661 -5.584 92 1HG1 VAL 12 1HG1 VAL 12 -9.965 -4.016 -5.129 93 2HG1 VAL 12 2HG1 VAL 12 -10.789 -4.345 -6.653 94 3HG1 VAL 12 3HG1 VAL 12 -9.905 -5.632 -5.832 95 1HG2 VAL 12 1HG2 VAL 12 -10.544 -5.630 -3.242 96 2HG2 VAL 12 2HG2 VAL 12 -11.196 -7.028 -4.098 97 3HG2 VAL 12 3HG2 VAL 12 -12.240 -6.073 -3.046 98 H LYS 13 H LYS 13 -14.487 -3.952 -5.979 99 HA LYS 13 HA LYS 13 -13.361 -2.134 -7.957 100 1HB LYS 13 2HB LYS 13 -14.822 -4.155 -8.472 101 2HB LYS 13 1HB LYS 13 -16.185 -3.195 -7.901 102 1HG LYS 13 2HG LYS 13 -16.244 -2.681 -10.165 103 2HG LYS 13 1HG LYS 13 -15.206 -1.385 -9.573 104 1HD LYS 13 2HD LYS 13 -13.925 -2.172 -11.346 105 2HD LYS 13 1HD LYS 13 -13.278 -3.152 -10.031 106 1HE LYS 13 2HE LYS 13 -13.785 -4.562 -11.981 107 2HE LYS 13 1HE LYS 13 -14.848 -4.973 -10.637 108 1HZ LYS 13 1HZ LYS 13 -16.014 -2.901 -12.128 109 2HZ LYS 13 2HZ LYS 13 -16.589 -4.481 -11.881 110 3HZ LYS 13 3HZ LYS 13 -15.567 -4.141 -13.196 111 H ASP 14 H ASP 14 -15.989 -1.931 -5.564 112 HA ASP 14 HA ASP 14 -16.792 0.711 -6.502 113 1HB ASP 14 2HB ASP 14 -18.344 -0.935 -5.428 114 2HB ASP 14 1HB ASP 14 -17.509 -0.652 -3.899 115 H HIS 15 H HIS 15 -14.882 -0.461 -3.730 116 HA HIS 15 HA HIS 15 -14.693 2.159 -2.531 117 1HB HIS 15 2HB HIS 15 -13.478 1.143 -0.843 118 2HB HIS 15 1HB HIS 15 -14.390 -0.224 -1.478 119 HD1 HIS 15 1HD HIS 15 -11.203 0.271 -0.299 120 HD2 HIS 15 2HD HIS 15 -12.569 -1.172 -3.967 121 HE1 HIS 15 1HE HIS 15 -9.291 -1.052 -1.305 122 HE2 HIS 15 2HE HIS 15 -10.110 -1.934 -3.538 123 H LEU 16 H LEU 16 -12.492 0.334 -4.665 124 HA LEU 16 HA LEU 16 -10.133 1.673 -4.436 125 1HB LEU 16 2HB LEU 16 -9.838 1.501 -6.931 126 2HB LEU 16 1HB LEU 16 -10.327 0.011 -6.137 127 HG LEU 16 HG LEU 16 -12.738 0.657 -6.734 128 1HD1 LEU 16 1HD1 LEU 16 -13.039 2.690 -7.678 129 2HD1 LEU 16 2HD1 LEU 16 -12.217 2.077 -9.109 130 3HD1 LEU 16 3HD1 LEU 16 -11.302 2.930 -7.871 131 1HD2 LEU 16 1HD2 LEU 16 -10.819 0.131 -9.022 132 2HD2 LEU 16 2HD2 LEU 16 -12.521 -0.318 -8.957 133 3HD2 LEU 16 3HD2 LEU 16 -11.360 -1.097 -7.881 134 H LEU 17 H LEU 17 -13.024 3.108 -5.934 135 HA LEU 17 HA LEU 17 -11.589 5.447 -6.837 136 1HB LEU 17 2HB LEU 17 -14.394 4.535 -6.791 137 2HB LEU 17 1HB LEU 17 -14.201 6.285 -6.676 138 HG LEU 17 HG LEU 17 -12.671 4.719 -8.749 139 1HD1 LEU 17 1HD1 LEU 17 -15.026 4.090 -9.048 140 2HD1 LEU 17 2HD1 LEU 17 -14.522 5.183 -10.337 141 3HD1 LEU 17 3HD1 LEU 17 -15.500 5.788 -9.000 142 1HD2 LEU 17 1HD2 LEU 17 -12.470 6.814 -9.824 143 2HD2 LEU 17 2HD2 LEU 17 -12.299 7.214 -8.116 144 3HD2 LEU 17 3HD2 LEU 17 -13.832 7.501 -8.938 145 HA PRO 18 HA PRO 18 -13.438 7.833 -3.122 146 1HB PRO 18 2HB PRO 18 -14.849 6.455 -1.220 147 2HB PRO 18 1HB PRO 18 -15.599 7.169 -2.663 148 1HG PRO 18 2HG PRO 18 -14.743 4.350 -2.181 149 2HG PRO 18 1HG PRO 18 -16.246 4.959 -2.901 150 1HD PRO 18 2HD PRO 18 -14.231 4.035 -4.449 151 2HD PRO 18 1HD PRO 18 -15.246 5.406 -4.953 152 H LYS 19 H LYS 19 -12.779 4.509 -1.933 153 HA LYS 19 HA LYS 19 -11.593 5.059 0.500 154 1HB LYS 19 2HB LYS 19 -11.882 2.787 -0.639 155 2HB LYS 19 1HB LYS 19 -10.344 3.107 -1.438 156 1HG LYS 19 2HG LYS 19 -9.581 1.997 0.449 157 2HG LYS 19 1HG LYS 19 -9.556 3.656 1.045 158 1HD LYS 19 2HD LYS 19 -12.021 3.168 1.777 159 2HD LYS 19 1HD LYS 19 -11.554 1.476 1.613 160 1HE LYS 19 2HE LYS 19 -10.606 3.523 3.574 161 2HE LYS 19 1HE LYS 19 -10.960 1.813 3.822 162 1HZ LYS 19 1HZ LYS 19 -8.949 1.366 2.404 163 2HZ LYS 19 2HZ LYS 19 -8.638 2.027 3.937 164 3HZ LYS 19 3HZ LYS 19 -8.567 3.012 2.555 165 H GLN 20 H GLN 20 -9.797 4.989 -2.604 166 HA GLN 20 HA GLN 20 -7.377 6.008 -1.382 167 1HB GLN 20 2HB GLN 20 -8.104 6.086 -4.315 168 2HB GLN 20 1HB GLN 20 -6.489 6.059 -3.607 169 1HG GLN 20 2HG GLN 20 -8.544 3.834 -3.465 170 2HG GLN 20 1HG GLN 20 -7.062 3.824 -4.420 171 1HE2 GLN 20 1HE2 GLN 20 -5.432 5.139 -2.316 172 2HE2 GLN 20 2HE2 GLN 20 -5.204 3.978 -1.099 173 H ILE 21 H ILE 21 -9.700 7.530 -3.653 174 HA ILE 21 HA ILE 21 -8.590 10.060 -3.775 175 HB ILE 21 HB ILE 21 -10.883 9.017 -4.726 176 1HG1 ILE 21 2HG1 ILE 21 -11.462 11.364 -5.442 177 2HG1 ILE 21 1HG1 ILE 21 -10.214 11.949 -4.344 178 1HG2 ILE 21 1HG2 ILE 21 -11.877 11.063 -2.737 179 2HG2 ILE 21 2HG2 ILE 21 -11.917 9.334 -2.398 180 3HG2 ILE 21 3HG2 ILE 21 -12.826 9.985 -3.759 181 1HD1 ILE 21 1HD1 ILE 21 -8.516 11.279 -5.715 182 2HD1 ILE 21 2HD1 ILE 21 -9.759 11.342 -6.961 183 3HD1 ILE 21 3HD1 ILE 21 -9.351 9.805 -6.204 184 H LYS 22 H LYS 22 -10.562 8.794 -1.090 185 HA LYS 22 HA LYS 22 -10.740 11.332 0.257 186 1HB LYS 22 2HB LYS 22 -12.235 9.378 0.717 187 2HB LYS 22 1HB LYS 22 -10.871 8.570 1.491 188 1HG LYS 22 2HG LYS 22 -10.738 10.224 3.208 189 2HG LYS 22 1HG LYS 22 -11.816 11.316 2.337 190 1HD LYS 22 2HD LYS 22 -13.678 9.744 2.624 191 2HD LYS 22 1HD LYS 22 -12.609 8.607 3.446 192 1HE LYS 22 2HE LYS 22 -14.015 10.053 4.987 193 2HE LYS 22 1HE LYS 22 -12.278 10.119 5.284 194 1HZ LYS 22 1HZ LYS 22 -13.491 12.045 3.428 195 2HZ LYS 22 2HZ LYS 22 -12.107 12.208 4.400 196 3HZ LYS 22 3HZ LYS 22 -13.655 12.296 5.098 197 H GLU 23 H GLU 23 -9.089 8.568 1.736 198 HA GLU 23 HA GLU 23 -7.378 9.948 3.402 199 1HB GLU 23 2HB GLU 23 -6.603 7.502 1.780 200 2HB GLU 23 1HB GLU 23 -5.848 8.032 3.285 201 1HG GLU 23 2HG GLU 23 -8.793 7.362 3.050 202 2HG GLU 23 1HG GLU 23 -7.571 6.198 3.563 203 H HIS 24 H HIS 24 -6.929 9.344 -0.046 204 HA HIS 24 HA HIS 24 -4.328 10.695 -0.094 205 1HB HIS 24 2HB HIS 24 -6.077 9.914 -2.443 206 2HB HIS 24 1HB HIS 24 -4.341 10.228 -2.459 207 HD1 HIS 24 1HD HIS 24 -6.179 8.148 0.132 208 HD2 HIS 24 2HD HIS 24 -3.418 7.623 -2.946 209 HE1 HIS 24 1HE HIS 24 -5.360 5.756 0.300 210 HE2 HIS 24 2HE HIS 24 -3.680 5.429 -1.570 211 H GLY 25 H GLY 25 -7.676 11.431 -0.963 212 1HA GLY 25 2HA GLY 25 -7.505 13.795 -2.362 213 2HA GLY 25 1HA GLY 25 -8.716 13.548 -1.105 214 H LEU 26 H LEU 26 -6.905 13.385 1.116 215 HA LEU 26 HA LEU 26 -6.778 15.944 2.091 216 1HB LEU 26 2HB LEU 26 -4.853 13.649 2.449 217 2HB LEU 26 1HB LEU 26 -4.574 15.187 3.265 218 HG LEU 26 HG LEU 26 -6.773 15.058 4.332 219 1HD1 LEU 26 1HD1 LEU 26 -8.078 13.938 2.657 220 2HD1 LEU 26 2HD1 LEU 26 -8.061 12.880 4.068 221 3HD1 LEU 26 3HD1 LEU 26 -7.018 12.529 2.690 222 1HD2 LEU 26 1HD2 LEU 26 -6.368 13.102 5.774 223 2HD2 LEU 26 2HD2 LEU 26 -4.855 13.943 5.436 224 3HD2 LEU 26 3HD2 LEU 26 -5.243 12.448 4.583 225 H LYS 27 H LYS 27 -4.414 14.491 -0.127 226 HA LYS 27 HA LYS 27 -2.964 17.078 -0.308 227 1HB LYS 27 2HB LYS 27 -2.439 14.288 -1.353 228 2HB LYS 27 1HB LYS 27 -1.512 15.676 -1.920 229 1HG LYS 27 2HG LYS 27 -1.784 15.456 1.030 230 2HG LYS 27 1HG LYS 27 -0.826 14.189 0.267 231 1HD LYS 27 2HD LYS 27 -0.336 17.061 -0.484 232 2HD LYS 27 1HD LYS 27 0.341 16.426 1.016 233 1HE LYS 27 2HE LYS 27 1.538 14.699 -0.166 234 2HE LYS 27 1HE LYS 27 0.720 15.093 -1.678 235 1HZ LYS 27 1HZ LYS 27 1.817 17.455 -0.836 236 2HZ LYS 27 2HZ LYS 27 2.408 16.454 -2.075 237 3HZ LYS 27 3HZ LYS 27 3.014 16.304 -0.494 238 H LYS 28 H LYS 28 -2.487 17.826 -2.626 239 HA LYS 28 HA LYS 28 -4.798 18.484 -4.029 240 1HB LYS 28 2HB LYS 28 -3.326 18.810 -6.022 241 2HB LYS 28 1HB LYS 28 -2.647 19.512 -4.553 242 1HG LYS 28 2HG LYS 28 -1.290 17.449 -4.229 243 2HG LYS 28 1HG LYS 28 -1.914 16.828 -5.758 244 1HD LYS 28 2HD LYS 28 -0.982 18.813 -6.923 245 2HD LYS 28 1HD LYS 28 -0.305 19.371 -5.392 246 1HE LYS 28 2HE LYS 28 0.930 17.176 -5.235 247 2HE LYS 28 1HE LYS 28 0.389 16.823 -6.876 248 1HZ LYS 28 1HZ LYS 28 2.229 18.928 -5.944 249 2HZ LYS 28 2HZ LYS 28 1.377 19.123 -7.400 250 3HZ LYS 28 3HZ LYS 28 2.435 17.809 -7.202 251 H SER 29 H SER 29 -5.759 17.611 -6.001 252 HA SER 29 HA SER 29 -6.496 14.950 -5.988 253 1HB SER 29 2HB SER 29 -7.464 16.646 -7.517 254 2HB SER 29 1HB SER 29 -5.989 16.608 -8.479 255 HG SER 29 HG SER 29 -7.782 14.460 -7.976 256 H ASN 30 H ASN 30 -4.816 13.513 -5.504 257 HA ASN 30 HA ASN 30 -2.712 13.206 -7.613 258 1HB ASN 30 2HB ASN 30 -1.880 13.941 -5.355 259 2HB ASN 30 1HB ASN 30 -2.499 12.426 -4.694 260 1HD2 ASN 30 1HD2 ASN 30 0.117 13.864 -6.501 261 2HD2 ASN 30 2HD2 ASN 30 0.997 12.434 -6.751 262 H LEU 31 H LEU 31 -4.786 11.858 -8.417 263 HA LEU 31 HA LEU 31 -4.067 9.065 -7.954 264 1HB LEU 31 2HB LEU 31 -5.625 9.677 -6.036 265 2HB LEU 31 1HB LEU 31 -6.887 9.900 -7.248 266 HG LEU 31 HG LEU 31 -6.065 7.482 -8.033 267 1HD1 LEU 31 1HD1 LEU 31 -5.468 6.104 -6.066 268 2HD1 LEU 31 2HD1 LEU 31 -5.421 7.557 -5.069 269 3HD1 LEU 31 3HD1 LEU 31 -4.252 7.344 -6.371 270 1HD2 LEU 31 1HD2 LEU 31 -8.349 8.037 -7.323 271 2HD2 LEU 31 2HD2 LEU 31 -7.848 8.004 -5.632 272 3HD2 LEU 31 3HD2 LEU 31 -7.840 6.519 -6.584 273 H GLN 32 H GLN 32 -4.144 8.221 -9.978 274 HA GLN 32 HA GLN 32 -6.535 8.743 -11.653 275 1HB GLN 32 2HB GLN 32 -3.733 9.569 -12.304 276 2HB GLN 32 1HB GLN 32 -4.702 8.899 -13.615 277 1HG GLN 32 2HG GLN 32 -5.631 11.164 -11.828 278 2HG GLN 32 1HG GLN 32 -4.868 11.401 -13.400 279 1HE2 GLN 32 1HE2 GLN 32 -7.880 10.986 -11.892 280 2HE2 GLN 32 2HE2 GLN 32 -8.786 10.561 -13.263 281 H LEU 33 H LEU 33 -6.550 6.445 -10.593 282 HA LEU 33 HA LEU 33 -4.904 4.522 -12.142 283 1HB LEU 33 2HB LEU 33 -5.783 2.843 -10.540 284 2HB LEU 33 1HB LEU 33 -4.996 4.187 -9.718 285 HG LEU 33 HG LEU 33 -7.361 5.242 -9.589 286 1HD1 LEU 33 1HD1 LEU 33 -7.946 2.527 -10.658 287 2HD1 LEU 33 2HD1 LEU 33 -8.871 4.020 -10.801 288 3HD1 LEU 33 3HD1 LEU 33 -8.966 3.064 -9.325 289 1HD2 LEU 33 1HD2 LEU 33 -6.309 4.520 -7.579 290 2HD2 LEU 33 2HD2 LEU 33 -6.459 2.819 -8.020 291 3HD2 LEU 33 3HD2 LEU 33 -7.893 3.743 -7.570 292 H ARG 34 H ARG 34 -6.155 2.471 -12.774 293 HA ARG 34 HA ARG 34 -8.816 3.211 -13.937 294 1HB ARG 34 2HB ARG 34 -6.671 1.457 -15.179 295 2HB ARG 34 1HB ARG 34 -8.241 1.827 -15.891 296 1HG ARG 34 2HG ARG 34 -6.544 4.149 -15.079 297 2HG ARG 34 1HG ARG 34 -6.027 3.236 -16.495 298 1HD ARG 34 2HD ARG 34 -8.244 3.531 -17.516 299 2HD ARG 34 1HD ARG 34 -8.789 4.423 -16.095 300 HE ARG 34 HE ARG 34 -6.651 5.912 -16.808 301 1HH1 ARG 34 1HH2 ARG 34 -9.166 4.458 -18.674 302 2HH1 ARG 34 2HH2 ARG 34 -9.126 5.669 -19.910 303 1HH2 ARG 34 1HH1 ARG 34 -6.589 7.496 -18.413 304 2HH2 ARG 34 2HH1 ARG 34 -7.669 7.388 -19.763 305 H ASP 35 H ASP 35 -10.117 1.169 -14.451 306 HA ASP 35 HA ASP 35 -10.319 -0.457 -12.095 307 1HB ASP 35 2HB ASP 35 -11.447 -0.928 -14.874 308 2HB ASP 35 1HB ASP 35 -11.955 -1.771 -13.410 309 H GLN 36 H GLN 36 -8.911 -1.043 -15.309 310 HA GLN 36 HA GLN 36 -8.273 -3.782 -14.988 311 1HB GLN 36 2HB GLN 36 -8.042 -2.413 -17.103 312 2HB GLN 36 1HB GLN 36 -6.563 -1.734 -16.425 313 1HG GLN 36 2HG GLN 36 -6.973 -4.720 -16.644 314 2HG GLN 36 1HG GLN 36 -6.310 -3.777 -17.979 315 1HE2 GLN 36 1HE2 GLN 36 -4.732 -5.759 -16.642 316 2HE2 GLN 36 2HE2 GLN 36 -3.482 -4.973 -15.805 317 H ALA 37 H ALA 37 -6.483 -0.884 -13.966 318 HA ALA 37 HA ALA 37 -4.108 -2.184 -13.107 319 1HB ALA 37 1HB ALA 37 -4.046 -0.185 -11.437 320 2HB ALA 37 2HB ALA 37 -5.505 0.350 -12.270 321 3HB ALA 37 3HB ALA 37 -3.998 0.166 -13.165 322 H ILE 38 H ILE 38 -6.659 -0.978 -10.903 323 HA ILE 38 HA ILE 38 -5.916 -2.347 -8.607 324 HB ILE 38 HB ILE 38 -8.677 -1.719 -9.677 325 1HG1 ILE 38 2HG1 ILE 38 -6.855 0.036 -8.898 326 2HG1 ILE 38 1HG1 ILE 38 -8.535 0.232 -8.410 327 1HG2 ILE 38 1HG2 ILE 38 -9.115 -3.498 -8.180 328 2HG2 ILE 38 2HG2 ILE 38 -9.331 -2.049 -7.198 329 3HG2 ILE 38 3HG2 ILE 38 -7.845 -2.988 -7.067 330 1HD1 ILE 38 1HD1 ILE 38 -6.611 -1.327 -6.690 331 2HD1 ILE 38 2HD1 ILE 38 -8.122 -0.551 -6.226 332 3HD1 ILE 38 3HD1 ILE 38 -6.700 0.430 -6.580 333 H LEU 39 H LEU 39 -7.778 -3.624 -11.351 334 HA LEU 39 HA LEU 39 -8.355 -6.174 -10.165 335 1HB LEU 39 2HB LEU 39 -8.185 -5.245 -13.039 336 2HB LEU 39 1HB LEU 39 -8.650 -6.887 -12.599 337 HG LEU 39 HG LEU 39 -10.048 -4.505 -11.379 338 1HD1 LEU 39 1HD1 LEU 39 -10.568 -5.826 -14.051 339 2HD1 LEU 39 2HD1 LEU 39 -10.329 -4.112 -13.723 340 3HD1 LEU 39 3HD1 LEU 39 -11.804 -4.915 -13.186 341 1HD2 LEU 39 1HD2 LEU 39 -11.924 -6.240 -11.347 342 2HD2 LEU 39 2HD2 LEU 39 -10.554 -6.585 -10.294 343 3HD2 LEU 39 3HD2 LEU 39 -10.714 -7.428 -11.834 344 H ASP 40 H ASP 40 -5.663 -5.007 -12.149 345 HA ASP 40 HA ASP 40 -4.406 -7.546 -12.534 346 1HB ASP 40 2HB ASP 40 -3.793 -5.551 -13.839 347 2HB ASP 40 1HB ASP 40 -3.152 -4.788 -12.384 348 H ILE 41 H ILE 41 -3.674 -4.982 -10.131 349 HA ILE 41 HA ILE 41 -1.670 -6.381 -8.738 350 HB ILE 41 HB ILE 41 -1.976 -4.108 -8.146 351 1HG1 ILE 41 2HG1 ILE 41 -3.229 -5.519 -5.786 352 2HG1 ILE 41 1HG1 ILE 41 -1.552 -5.811 -6.247 353 1HG2 ILE 41 1HG2 ILE 41 -4.417 -4.079 -8.833 354 2HG2 ILE 41 2HG2 ILE 41 -4.039 -3.142 -7.390 355 3HG2 ILE 41 3HG2 ILE 41 -4.797 -4.725 -7.238 356 1HD1 ILE 41 1HD1 ILE 41 -0.921 -3.578 -5.825 357 2HD1 ILE 41 2HD1 ILE 41 -2.016 -3.957 -4.496 358 3HD1 ILE 41 3HD1 ILE 41 -2.588 -3.004 -5.865 359 H ILE 42 H ILE 42 -5.155 -6.289 -7.814 360 HA ILE 42 HA ILE 42 -4.907 -8.249 -5.770 361 HB ILE 42 HB ILE 42 -6.909 -6.828 -6.028 362 1HG1 ILE 42 2HG1 ILE 42 -7.615 -9.761 -6.335 363 2HG1 ILE 42 1HG1 ILE 42 -6.987 -9.058 -4.843 364 1HG2 ILE 42 1HG2 ILE 42 -7.731 -8.614 -8.319 365 2HG2 ILE 42 2HG2 ILE 42 -6.864 -7.104 -8.594 366 3HG2 ILE 42 3HG2 ILE 42 -8.442 -7.082 -7.812 367 1HD1 ILE 42 1HD1 ILE 42 -8.890 -7.548 -4.698 368 2HD1 ILE 42 2HD1 ILE 42 -9.487 -9.196 -4.885 369 3HD1 ILE 42 3HD1 ILE 42 -9.487 -8.097 -6.263 370 H ARG 43 H ARG 43 -5.826 -8.658 -9.206 371 HA ARG 43 HA ARG 43 -6.231 -11.445 -9.172 372 1HB ARG 43 2HB ARG 43 -6.607 -9.892 -11.135 373 2HB ARG 43 1HB ARG 43 -4.866 -9.936 -11.417 374 1HG ARG 43 2HG ARG 43 -5.015 -12.440 -11.548 375 2HG ARG 43 1HG ARG 43 -6.771 -12.294 -11.448 376 1HD ARG 43 2HD ARG 43 -6.561 -10.685 -13.459 377 2HD ARG 43 1HD ARG 43 -4.934 -11.341 -13.645 378 HE ARG 43 HE ARG 43 -7.022 -13.385 -13.456 379 1HH1 ARG 43 1HH2 ARG 43 -5.179 -11.253 -15.443 380 2HH1 ARG 43 2HH2 ARG 43 -5.394 -12.193 -16.881 381 1HH2 ARG 43 1HH1 ARG 43 -7.312 -14.625 -15.322 382 2HH2 ARG 43 2HH1 ARG 43 -6.603 -14.103 -16.813 383 H TYR 44 H TYR 44 -3.197 -9.610 -9.404 384 HA TYR 44 HA TYR 44 -1.503 -11.876 -9.879 385 1HB TYR 44 2HB TYR 44 -1.095 -9.078 -8.854 386 2HB TYR 44 1HB TYR 44 0.224 -10.240 -8.725 387 HD1 TYR 44 1HD TYR 44 -2.279 -10.326 -11.462 388 HD2 TYR 44 2HD TYR 44 1.685 -9.139 -10.304 389 HE1 TYR 44 1HE TYR 44 -1.697 -9.953 -13.837 390 HE2 TYR 44 2HE TYR 44 2.266 -8.767 -12.683 391 HH TYR 44 HH TYR 44 0.926 -8.214 -14.836 392 H TYR 45 H TYR 45 -2.663 -10.287 -6.937 393 HA TYR 45 HA TYR 45 -1.188 -12.227 -5.261 394 1HB TYR 45 2HB TYR 45 -2.889 -9.810 -4.608 395 2HB TYR 45 1HB TYR 45 -2.139 -10.837 -3.385 396 HD1 TYR 45 1HD TYR 45 -1.682 -7.958 -5.348 397 HD2 TYR 45 2HD TYR 45 0.430 -11.376 -3.840 398 HE1 TYR 45 1HE TYR 45 0.465 -6.774 -5.674 399 HE2 TYR 45 2HE TYR 45 2.578 -10.195 -4.161 400 HH TYR 45 HH TYR 45 2.804 -7.237 -5.930 401 H THR 46 H THR 46 -4.513 -10.975 -4.913 402 HA THR 46 HA THR 46 -6.457 -12.121 -4.263 403 HB THR 46 HB THR 46 -5.541 -14.538 -5.777 404 HG1 THR 46 1HG THR 46 -6.072 -13.307 -7.714 405 1HG2 THR 46 1HG2 THR 46 -7.824 -14.454 -6.610 406 2HG2 THR 46 2HG2 THR 46 -8.060 -12.860 -5.894 407 3HG2 THR 46 3HG2 THR 46 -7.848 -14.269 -4.855 408 H ARG 47 H ARG 47 -3.568 -12.814 -3.076 409 HA ARG 47 HA ARG 47 -4.085 -15.427 -1.854 410 1HB ARG 47 2HB ARG 47 -1.968 -14.668 -0.495 411 2HB ARG 47 1HB ARG 47 -1.794 -15.077 -2.199 412 1HG ARG 47 2HG ARG 47 -1.454 -12.895 -2.839 413 2HG ARG 47 1HG ARG 47 -2.470 -12.242 -1.552 414 1HD ARG 47 2HD ARG 47 -0.745 -12.648 0.098 415 2HD ARG 47 1HD ARG 47 0.244 -13.506 -1.081 416 HE ARG 47 HE ARG 47 1.003 -11.416 -1.853 417 1HH1 ARG 47 1HH2 ARG 47 -1.976 -11.148 -0.139 418 2HH1 ARG 47 2HH2 ARG 47 -2.002 -9.417 -0.189 419 1HH2 ARG 47 1HH1 ARG 47 0.987 -9.157 -1.927 420 2HH2 ARG 47 2HH1 ARG 47 -0.325 -8.289 -1.201 421 H GLU 48 H GLU 48 -3.160 -14.937 0.771 422 HA GLU 48 HA GLU 48 -4.048 -14.404 2.876 423 1HB GLU 48 2HB GLU 48 -4.489 -11.890 1.272 424 2HB GLU 48 1HB GLU 48 -5.064 -11.998 2.934 425 1HG GLU 48 2HG GLU 48 -2.875 -12.322 3.790 426 2HG GLU 48 1HG GLU 48 -2.220 -12.696 2.194 427 H ALA 49 H ALA 49 -6.212 -13.692 3.972 428 HA ALA 49 HA ALA 49 -8.568 -14.322 2.269 429 1HB ALA 49 1HB ALA 49 -7.880 -15.768 4.847 430 2HB ALA 49 2HB ALA 49 -7.866 -16.474 3.231 431 3HB ALA 49 3HB ALA 49 -9.388 -15.949 3.951 432 H GLY 50 H GLY 50 -7.986 -11.801 3.162 433 1HA GLY 50 2HA GLY 50 -10.231 -11.308 5.006 434 2HA GLY 50 1HA GLY 50 -8.648 -10.777 5.579 435 H VAL 51 H VAL 51 -11.339 -9.670 4.065 436 HA VAL 51 HA VAL 51 -10.424 -8.175 1.847 437 HB VAL 51 HB VAL 51 -12.348 -6.704 2.255 438 1HG1 VAL 51 1HG1 VAL 51 -13.114 -9.528 3.023 439 2HG1 VAL 51 2HG1 VAL 51 -12.601 -9.097 1.392 440 3HG1 VAL 51 3HG1 VAL 51 -14.053 -8.370 2.080 441 1HG2 VAL 51 1HG2 VAL 51 -12.307 -6.312 4.592 442 2HG2 VAL 51 2HG2 VAL 51 -12.254 -8.034 4.966 443 3HG2 VAL 51 3HG2 VAL 51 -13.741 -7.310 4.354 444 H ARG 52 H ARG 52 -10.470 -7.289 5.305 445 HA ARG 52 HA ARG 52 -9.606 -4.647 5.164 446 1HB ARG 52 2HB ARG 52 -10.047 -6.040 7.264 447 2HB ARG 52 1HB ARG 52 -8.391 -6.628 7.101 448 1HG ARG 52 2HG ARG 52 -7.709 -4.144 6.979 449 2HG ARG 52 1HG ARG 52 -9.330 -3.798 7.584 450 1HD ARG 52 2HD ARG 52 -7.306 -5.605 8.938 451 2HD ARG 52 1HD ARG 52 -7.689 -3.954 9.430 452 HE ARG 52 HE ARG 52 -10.106 -5.480 9.335 453 1HH1 ARG 52 1HH2 ARG 52 -7.147 -5.128 11.068 454 2HH1 ARG 52 2HH2 ARG 52 -7.808 -5.679 12.572 455 1HH2 ARG 52 1HH1 ARG 52 -10.986 -6.201 11.286 456 2HH2 ARG 52 2HH1 ARG 52 -9.982 -6.287 12.695 457 H SER 53 H SER 53 -7.626 -7.585 4.835 458 HA SER 53 HA SER 53 -5.116 -6.204 4.614 459 1HB SER 53 2HB SER 53 -5.802 -8.843 3.313 460 2HB SER 53 1HB SER 53 -4.218 -8.280 3.837 461 HG SER 53 HG SER 53 -5.224 -8.197 6.001 462 H LEU 54 H LEU 54 -7.372 -7.466 2.156 463 HA LEU 54 HA LEU 54 -5.967 -6.717 -0.157 464 1HB LEU 54 2HB LEU 54 -8.890 -6.919 0.516 465 2HB LEU 54 1HB LEU 54 -8.427 -6.203 -1.027 466 HG LEU 54 HG LEU 54 -7.083 -8.230 -1.542 467 1HD1 LEU 54 1HD1 LEU 54 -6.569 -8.950 0.732 468 2HD1 LEU 54 2HD1 LEU 54 -7.437 -10.240 -0.100 469 3HD1 LEU 54 3HD1 LEU 54 -8.280 -9.218 1.063 470 1HD2 LEU 54 1HD2 LEU 54 -8.975 -9.686 -2.010 471 2HD2 LEU 54 2HD2 LEU 54 -9.488 -8.013 -2.226 472 3HD2 LEU 54 3HD2 LEU 54 -9.940 -8.892 -0.766 473 H GLU 55 H GLU 55 -8.363 -4.749 1.625 474 HA GLU 55 HA GLU 55 -8.019 -2.348 0.180 475 1HB GLU 55 2HB GLU 55 -8.779 -2.938 3.041 476 2HB GLU 55 1HB GLU 55 -8.618 -1.272 2.482 477 1HG GLU 55 2HG GLU 55 -10.957 -2.139 2.300 478 2HG GLU 55 1HG GLU 55 -10.285 -1.647 0.746 479 H ARG 56 H ARG 56 -6.144 -3.678 2.893 480 HA ARG 56 HA ARG 56 -4.486 -1.380 3.290 481 1HB ARG 56 2HB ARG 56 -4.765 -3.662 4.649 482 2HB ARG 56 1HB ARG 56 -3.364 -4.133 3.688 483 1HG ARG 56 2HG ARG 56 -3.542 -1.634 5.404 484 2HG ARG 56 1HG ARG 56 -2.703 -3.116 5.857 485 1HD ARG 56 2HD ARG 56 -1.498 -2.747 3.513 486 2HD ARG 56 1HD ARG 56 -1.958 -1.069 3.802 487 HE ARG 56 HE ARG 56 -0.276 -0.987 5.444 488 1HH1 ARG 56 1HH2 ARG 56 -1.316 -4.216 4.835 489 2HH1 ARG 56 2HH2 ARG 56 -0.144 -4.935 5.887 490 1HH2 ARG 56 1HH1 ARG 56 1.264 -1.908 6.822 491 2HH2 ARG 56 2HH1 ARG 56 1.319 -3.628 7.012 492 H GLN 57 H GLN 57 -4.183 -4.177 1.118 493 HA GLN 57 HA GLN 57 -1.548 -3.559 0.180 494 1HB GLN 57 2HB GLN 57 -3.843 -5.047 -1.124 495 2HB GLN 57 1HB GLN 57 -2.219 -4.963 -1.810 496 1HG GLN 57 2HG GLN 57 -2.796 -5.969 0.988 497 2HG GLN 57 1HG GLN 57 -2.660 -7.027 -0.417 498 1HE2 GLN 57 1HE2 GLN 57 -0.838 -4.982 1.804 499 2HE2 GLN 57 2HE2 GLN 57 0.700 -5.423 1.238 500 H LEU 58 H LEU 58 -4.765 -2.715 -1.136 501 HA LEU 58 HA LEU 58 -3.670 -1.196 -3.343 502 1HB LEU 58 2HB LEU 58 -6.398 -0.768 -2.107 503 2HB LEU 58 1HB LEU 58 -5.915 -0.538 -3.788 504 HG LEU 58 HG LEU 58 -5.976 -3.198 -2.341 505 1HD1 LEU 58 1HD1 LEU 58 -7.827 -3.614 -4.082 506 2HD1 LEU 58 2HD1 LEU 58 -7.865 -1.862 -4.283 507 3HD1 LEU 58 3HD1 LEU 58 -8.237 -2.578 -2.715 508 1HD2 LEU 58 1HD2 LEU 58 -5.194 -2.330 -5.123 509 2HD2 LEU 58 2HD2 LEU 58 -5.754 -3.973 -4.812 510 3HD2 LEU 58 3HD2 LEU 58 -4.308 -3.366 -4.005 511 H ALA 59 H ALA 59 -4.789 -0.367 -0.082 512 HA ALA 59 HA ALA 59 -4.534 2.473 -0.372 513 1HB ALA 59 1HB ALA 59 -4.394 0.627 2.024 514 2HB ALA 59 2HB ALA 59 -5.730 1.671 1.540 515 3HB ALA 59 3HB ALA 59 -4.244 2.378 2.175 516 H ALA 60 H ALA 60 -2.288 -0.108 0.504 517 HA ALA 60 HA ALA 60 -0.095 1.579 1.267 518 1HB ALA 60 1HB ALA 60 -0.171 -0.810 1.830 519 2HB ALA 60 2HB ALA 60 1.288 -0.445 0.909 520 3HB ALA 60 3HB ALA 60 -0.081 -1.228 0.119 521 H ILE 61 H ILE 61 -0.662 -0.156 -1.839 522 HA ILE 61 HA ILE 61 1.560 1.062 -3.165 523 HB ILE 61 HB ILE 61 0.175 -0.986 -3.900 524 1HG1 ILE 61 2HG1 ILE 61 1.055 1.215 -5.781 525 2HG1 ILE 61 1HG1 ILE 61 1.945 -0.232 -5.313 526 1HG2 ILE 61 1HG2 ILE 61 -1.988 0.385 -3.818 527 2HG2 ILE 61 2HG2 ILE 61 -1.755 -0.622 -5.243 528 3HG2 ILE 61 3HG2 ILE 61 -1.461 1.115 -5.331 529 1HD1 ILE 61 1HD1 ILE 61 1.149 -0.886 -7.394 530 2HD1 ILE 61 2HD1 ILE 61 -0.335 0.052 -7.238 531 3HD1 ILE 61 3HD1 ILE 61 -0.155 -1.468 -6.363 532 H CYS 62 H CYS 62 -1.880 1.962 -3.038 533 HA CYS 62 HA CYS 62 -1.840 4.124 -4.836 534 1HB CYS 62 2HB CYS 62 -3.407 3.744 -2.272 535 2HB CYS 62 1HB CYS 62 -3.720 5.044 -3.421 536 HG CYS 62 HG CYS 62 -4.328 2.048 -3.892 537 H ARG 63 H ARG 63 -1.670 4.519 -1.266 538 HA ARG 63 HA ARG 63 -0.756 7.212 -1.432 539 1HB ARG 63 2HB ARG 63 -0.280 7.059 0.902 540 2HB ARG 63 1HB ARG 63 -1.723 6.091 0.601 541 1HG ARG 63 2HG ARG 63 -0.074 4.103 0.328 542 2HG ARG 63 1HG ARG 63 1.094 5.151 1.132 543 1HD ARG 63 2HD ARG 63 -1.629 4.405 2.243 544 2HD ARG 63 1HD ARG 63 -0.096 3.697 2.753 545 HE ARG 63 HE ARG 63 -1.084 6.359 3.470 546 1HH1 ARG 63 1HH2 ARG 63 1.602 4.237 3.070 547 2HH1 ARG 63 2HH2 ARG 63 2.625 5.108 4.163 548 1HH2 ARG 63 1HH1 ARG 63 0.237 7.512 4.898 549 2HH2 ARG 63 2HH1 ARG 63 1.852 6.963 5.197 550 H LYS 64 H LYS 64 1.089 4.166 -1.051 551 HA LYS 64 HA LYS 64 3.668 5.136 -0.721 552 1HB LYS 64 2HB LYS 64 3.234 2.735 -0.963 553 2HB LYS 64 1HB LYS 64 2.772 2.964 -2.650 554 1HG LYS 64 2HG LYS 64 5.098 2.133 -2.442 555 2HG LYS 64 1HG LYS 64 5.042 3.726 -3.192 556 1HD LYS 64 2HD LYS 64 5.901 4.798 -1.306 557 2HD LYS 64 1HD LYS 64 5.352 3.531 -0.209 558 1HE LYS 64 2HE LYS 64 7.581 3.218 -2.242 559 2HE LYS 64 1HE LYS 64 7.818 3.490 -0.517 560 1HZ LYS 64 1HZ LYS 64 7.245 1.393 -0.016 561 2HZ LYS 64 2HZ LYS 64 7.672 1.075 -1.629 562 3HZ LYS 64 3HZ LYS 64 6.042 1.305 -1.207 563 H ALA 65 H ALA 65 1.684 5.118 -3.627 564 HA ALA 65 HA ALA 65 3.706 6.338 -5.321 565 1HB ALA 65 1HB ALA 65 1.921 6.544 -6.950 566 2HB ALA 65 2HB ALA 65 0.697 6.295 -5.709 567 3HB ALA 65 3HB ALA 65 1.764 4.970 -6.174 568 H ALA 66 H ALA 66 0.947 7.484 -3.374 569 HA ALA 66 HA ALA 66 1.008 10.200 -4.267 570 1HB ALA 66 1HB ALA 66 -0.779 9.072 -2.835 571 2HB ALA 66 2HB ALA 66 -0.318 10.701 -2.341 572 3HB ALA 66 3HB ALA 66 0.306 9.305 -1.463 573 H LYS 67 H LYS 67 2.289 8.954 -1.155 574 HA LYS 67 HA LYS 67 3.781 11.247 -0.491 575 1HB LYS 67 2HB LYS 67 4.501 8.361 0.107 576 2HB LYS 67 1HB LYS 67 5.109 9.774 0.968 577 1HG LYS 67 2HG LYS 67 2.138 9.382 0.737 578 2HG LYS 67 1HG LYS 67 3.036 8.429 1.917 579 1HD LYS 67 2HD LYS 67 3.902 10.446 2.965 580 2HD LYS 67 1HD LYS 67 3.166 11.452 1.717 581 1HE LYS 67 2HE LYS 67 0.958 10.922 2.450 582 2HE LYS 67 1HE LYS 67 1.536 9.605 3.470 583 1HZ LYS 67 1HZ LYS 67 2.075 11.007 5.106 584 2HZ LYS 67 2HZ LYS 67 1.049 12.110 4.322 585 3HZ LYS 67 3HZ LYS 67 2.725 12.166 4.053 586 H ALA 68 H ALA 68 4.700 8.476 -2.501 587 HA ALA 68 HA ALA 68 7.437 9.111 -2.859 588 1HB ALA 68 1HB ALA 68 7.198 7.896 -5.055 589 2HB ALA 68 2HB ALA 68 5.458 7.835 -4.769 590 3HB ALA 68 3HB ALA 68 6.562 7.004 -3.672 591 H ILE 69 H ILE 69 4.787 11.001 -3.636 592 HA ILE 69 HA ILE 69 5.807 12.152 -6.115 593 HB ILE 69 HB ILE 69 3.355 12.090 -5.299 594 1HG1 ILE 69 2HG1 ILE 69 3.084 14.587 -6.184 595 2HG1 ILE 69 1HG1 ILE 69 4.800 14.410 -6.546 596 1HG2 ILE 69 1HG2 ILE 69 4.186 13.200 -3.054 597 2HG2 ILE 69 2HG2 ILE 69 2.618 13.643 -3.726 598 3HG2 ILE 69 3HG2 ILE 69 4.007 14.701 -3.962 599 1HD1 ILE 69 1HD1 ILE 69 3.818 13.636 -8.518 600 2HD1 ILE 69 2HD1 ILE 69 2.463 12.894 -7.670 601 3HD1 ILE 69 3HD1 ILE 69 4.053 12.132 -7.629 602 H VAL 70 H VAL 70 7.554 12.118 -3.669 603 HA VAL 70 HA VAL 70 7.860 14.564 -2.386 604 HB VAL 70 HB VAL 70 10.293 14.088 -2.325 605 1HG1 VAL 70 1HG1 VAL 70 8.774 12.869 -0.812 606 2HG1 VAL 70 2HG1 VAL 70 10.121 11.842 -1.304 607 3HG1 VAL 70 3HG1 VAL 70 8.534 11.631 -2.044 608 1HG2 VAL 70 1HG2 VAL 70 11.106 12.058 -3.542 609 2HG2 VAL 70 2HG2 VAL 70 10.596 13.345 -4.635 610 3HG2 VAL 70 3HG2 VAL 70 9.544 11.958 -4.354 611 H ALA 71 H ALA 71 8.146 13.926 -5.760 612 HA ALA 71 HA ALA 71 9.694 16.388 -6.290 613 1HB ALA 71 1HB ALA 71 8.388 14.454 -8.231 614 2HB ALA 71 2HB ALA 71 10.053 14.333 -7.661 615 3HB ALA 71 3HB ALA 71 9.553 15.714 -8.637 616 H GLU 72 H GLU 72 8.210 16.978 -8.766 617 HA GLU 72 HA GLU 72 5.455 17.544 -8.137 618 1HB GLU 72 2HB GLU 72 6.871 19.159 -6.644 619 2HB GLU 72 1HB GLU 72 7.167 20.025 -8.151 620 1HG GLU 72 2HG GLU 72 5.238 21.079 -7.323 621 2HG GLU 72 1HG GLU 72 4.578 19.900 -8.456 622 H GLU 73 H GLU 73 7.425 16.712 -10.318 623 HA GLU 73 HA GLU 73 6.840 18.772 -12.381 624 1HB GLU 73 2HB GLU 73 8.900 16.723 -11.973 625 2HB GLU 73 1HB GLU 73 8.251 16.704 -13.612 626 1HG GLU 73 2HG GLU 73 9.161 19.245 -12.242 627 2HG GLU 73 1HG GLU 73 10.233 18.259 -13.238 628 H ARG 74 H ARG 74 4.844 16.799 -11.162 629 HA ARG 74 HA ARG 74 3.435 16.212 -13.607 630 1HB ARG 74 2HB ARG 74 5.234 14.422 -13.606 631 2HB ARG 74 1HB ARG 74 4.494 13.785 -12.137 632 1HG ARG 74 2HG ARG 74 2.307 13.667 -13.423 633 2HG ARG 74 1HG ARG 74 3.236 14.022 -14.880 634 1HD ARG 74 2HD ARG 74 3.884 11.720 -13.020 635 2HD ARG 74 1HD ARG 74 2.855 11.556 -14.442 636 HE ARG 74 HE ARG 74 4.777 11.853 -15.835 637 1HH1 ARG 74 1HH2 ARG 74 5.418 12.307 -12.472 638 2HH1 ARG 74 2HH2 ARG 74 7.139 12.243 -12.659 639 1HH2 ARG 74 1HH1 ARG 74 7.020 11.767 -16.090 640 2HH2 ARG 74 2HH1 ARG 74 8.044 11.938 -14.703 641 H LYS 75 H LYS 75 1.534 16.942 -12.690 642 HA LYS 75 HA LYS 75 0.771 16.153 -9.969 643 1HB LYS 75 2HB LYS 75 -0.976 17.508 -12.037 644 2HB LYS 75 1HB LYS 75 -1.149 17.552 -10.284 645 1HG LYS 75 2HG LYS 75 0.008 19.503 -10.381 646 2HG LYS 75 1HG LYS 75 1.431 18.496 -10.644 647 1HD LYS 75 2HD LYS 75 1.169 18.676 -13.060 648 2HD LYS 75 1HD LYS 75 -0.347 19.557 -12.863 649 1HE LYS 75 2HE LYS 75 1.054 21.250 -11.487 650 2HE LYS 75 1HE LYS 75 2.454 20.478 -12.230 651 1HZ LYS 75 1HZ LYS 75 1.436 20.909 -14.411 652 2HZ LYS 75 2HZ LYS 75 1.771 22.338 -13.554 653 3HZ LYS 75 3HZ LYS 75 0.179 21.753 -13.646 654 H ARG 76 H ARG 76 -1.377 15.067 -9.596 655 HA ARG 76 HA ARG 76 -2.743 13.179 -9.885 656 1HB ARG 76 2HB ARG 76 -2.515 13.963 -12.808 657 2HB ARG 76 1HB ARG 76 -3.751 12.924 -12.105 658 1HG ARG 76 2HG ARG 76 -4.916 14.679 -11.213 659 2HG ARG 76 1HG ARG 76 -3.453 15.566 -10.791 660 1HD ARG 76 2HD ARG 76 -4.817 16.676 -12.585 661 2HD ARG 76 1HD ARG 76 -3.166 16.307 -13.080 662 HE ARG 76 HE ARG 76 -5.100 14.214 -13.753 663 1HH1 ARG 76 1HH2 ARG 76 -3.520 17.146 -14.645 664 2HH1 ARG 76 2HH2 ARG 76 -3.759 16.913 -16.345 665 1HH2 ARG 76 1HH1 ARG 76 -5.423 13.894 -15.967 666 2HH2 ARG 76 2HH1 ARG 76 -4.838 15.073 -17.093 667 H ILE 77 H ILE 77 -1.745 11.253 -9.466 668 HA ILE 77 HA ILE 77 0.452 10.350 -11.237 669 HB ILE 77 HB ILE 77 -0.641 9.046 -8.728 670 1HG1 ILE 77 2HG1 ILE 77 1.742 10.896 -9.093 671 2HG1 ILE 77 1HG1 ILE 77 0.223 11.347 -8.319 672 1HG2 ILE 77 1HG2 ILE 77 0.629 7.532 -10.179 673 2HG2 ILE 77 2HG2 ILE 77 1.580 7.923 -8.748 674 3HG2 ILE 77 3HG2 ILE 77 1.940 8.705 -10.287 675 1HD1 ILE 77 1HD1 ILE 77 0.649 9.296 -6.780 676 2HD1 ILE 77 2HD1 ILE 77 1.599 10.755 -6.501 677 3HD1 ILE 77 3HD1 ILE 77 2.309 9.393 -7.367 678 H THR 78 H THR 78 0.062 8.970 -12.878 679 HA THR 78 HA THR 78 -2.566 7.647 -13.068 680 HB THR 78 HB THR 78 -0.256 7.464 -15.015 681 HG1 THR 78 1HG THR 78 -2.058 9.166 -15.855 682 1HG2 THR 78 1HG2 THR 78 -3.237 7.306 -15.493 683 2HG2 THR 78 2HG2 THR 78 -2.238 5.886 -15.182 684 3HG2 THR 78 3HG2 THR 78 -1.943 6.876 -16.611 685 H VAL 79 H VAL 79 -2.875 5.461 -12.735 686 HA VAL 79 HA VAL 79 -0.430 3.837 -12.108 687 HB VAL 79 HB VAL 79 -3.229 3.456 -11.012 688 1HG1 VAL 79 1HG1 VAL 79 -1.966 2.007 -9.374 689 2HG1 VAL 79 2HG1 VAL 79 -0.545 2.194 -10.401 690 3HG1 VAL 79 3HG1 VAL 79 -1.983 1.389 -11.026 691 1HG2 VAL 79 1HG2 VAL 79 -2.235 4.328 -8.892 692 2HG2 VAL 79 2HG2 VAL 79 -2.277 5.545 -10.168 693 3HG2 VAL 79 3HG2 VAL 79 -0.765 4.727 -9.780 694 H THR 80 H THR 80 -0.211 3.017 -14.244 695 HA THR 80 HA THR 80 -2.511 1.606 -15.454 696 HB THR 80 HB THR 80 -1.191 1.439 -17.412 697 HG1 THR 80 1HG THR 80 0.972 1.769 -15.627 698 1HG2 THR 80 1HG2 THR 80 -0.121 3.943 -16.098 699 2HG2 THR 80 2HG2 THR 80 -1.780 3.799 -16.677 700 3HG2 THR 80 3HG2 THR 80 -0.436 3.677 -17.812 701 H GLU 81 H GLU 81 -1.541 -0.634 -16.554 702 HA GLU 81 HA GLU 81 -1.218 -2.409 -14.300 703 1HB GLU 81 2HB GLU 81 -0.796 -4.142 -16.125 704 2HB GLU 81 1HB GLU 81 -2.342 -3.299 -16.212 705 1HG GLU 81 2HG GLU 81 0.034 -2.195 -17.692 706 2HG GLU 81 1HG GLU 81 -0.876 -3.538 -18.382 707 H LYS 82 H LYS 82 1.009 -0.761 -16.416 708 HA LYS 82 HA LYS 82 3.275 -2.473 -15.620 709 1HB LYS 82 2HB LYS 82 3.157 -1.508 -17.910 710 2HB LYS 82 1HB LYS 82 3.240 0.111 -17.213 711 1HG LYS 82 2HG LYS 82 5.442 -0.297 -16.331 712 2HG LYS 82 1HG LYS 82 5.348 -2.012 -16.737 713 1HD LYS 82 2HD LYS 82 5.339 -1.513 -19.109 714 2HD LYS 82 1HD LYS 82 5.232 0.217 -18.787 715 1HE LYS 82 2HE LYS 82 7.502 -0.975 -17.395 716 2HE LYS 82 1HE LYS 82 7.590 -1.255 -19.135 717 1HZ LYS 82 1HZ LYS 82 8.263 1.048 -17.832 718 2HZ LYS 82 2HZ LYS 82 6.749 1.401 -18.518 719 3HZ LYS 82 3HZ LYS 82 8.029 0.874 -19.502 720 H ASN 83 H ASN 83 1.775 0.525 -14.684 721 HA ASN 83 HA ASN 83 4.018 1.654 -13.276 722 1HB ASN 83 2HB ASN 83 1.713 2.725 -13.963 723 2HB ASN 83 1HB ASN 83 1.173 2.107 -12.402 724 1HD2 ASN 83 1HD2 ASN 83 3.947 2.461 -11.230 725 2HD2 ASN 83 2HD2 ASN 83 4.100 4.131 -10.964 726 H LEU 84 H LEU 84 1.406 -0.555 -12.358 727 HA LEU 84 HA LEU 84 1.601 -0.695 -9.615 728 1HB LEU 84 2HB LEU 84 1.061 -2.669 -11.754 729 2HB LEU 84 1HB LEU 84 1.566 -3.374 -10.219 730 HG LEU 84 HG LEU 84 -0.228 -2.293 -9.038 731 1HD1 LEU 84 1HD1 LEU 84 -0.310 -0.607 -11.483 732 2HD1 LEU 84 2HD1 LEU 84 -0.642 -0.178 -9.806 733 3HD1 LEU 84 3HD1 LEU 84 -1.876 -0.988 -10.767 734 1HD2 LEU 84 1HD2 LEU 84 -2.212 -3.187 -10.277 735 2HD2 LEU 84 2HD2 LEU 84 -0.874 -4.334 -10.205 736 3HD2 LEU 84 3HD2 LEU 84 -1.180 -3.429 -11.686 737 H GLN 85 H GLN 85 3.508 -3.000 -11.573 738 HA GLN 85 HA GLN 85 5.322 -3.851 -9.689 739 1HB GLN 85 2HB GLN 85 5.965 -3.082 -12.554 740 2HB GLN 85 1HB GLN 85 6.978 -4.099 -11.529 741 1HG GLN 85 2HG GLN 85 5.281 -5.793 -11.389 742 2HG GLN 85 1HG GLN 85 4.084 -4.740 -12.144 743 1HE2 GLN 85 1HE2 GLN 85 3.762 -5.243 -14.308 744 2HE2 GLN 85 2HE2 GLN 85 4.945 -5.861 -15.357 745 H ASP 86 H ASP 86 5.438 -0.765 -11.436 746 HA ASP 86 HA ASP 86 7.968 0.115 -10.491 747 1HB ASP 86 2HB ASP 86 6.354 1.177 -12.257 748 2HB ASP 86 1HB ASP 86 5.673 2.026 -10.870 749 H PHE 87 H PHE 87 4.732 0.336 -9.006 750 HA PHE 87 HA PHE 87 5.771 1.869 -6.734 751 1HB PHE 87 2HB PHE 87 3.109 0.490 -7.202 752 2HB PHE 87 1HB PHE 87 3.481 1.472 -5.789 753 HD1 PHE 87 1HD PHE 87 1.888 1.573 -8.858 754 HD2 PHE 87 2HD PHE 87 4.692 3.842 -6.520 755 HE1 PHE 87 1HE PHE 87 1.283 3.619 -10.114 756 HE2 PHE 87 2HE PHE 87 4.088 5.884 -7.781 757 HZ PHE 87 HZ PHE 87 2.383 5.776 -9.580 758 H ILE 88 H ILE 88 4.501 -1.415 -7.241 759 HA ILE 88 HA ILE 88 5.392 -2.251 -4.589 760 HB ILE 88 HB ILE 88 4.776 -4.496 -6.276 761 1HG1 ILE 88 2HG1 ILE 88 2.929 -2.110 -6.522 762 2HG1 ILE 88 1HG1 ILE 88 3.592 -3.108 -7.815 763 1HG2 ILE 88 1HG2 ILE 88 3.019 -3.190 -4.198 764 2HG2 ILE 88 2HG2 ILE 88 4.450 -4.130 -3.773 765 3HG2 ILE 88 3HG2 ILE 88 3.109 -4.900 -4.618 766 1HD1 ILE 88 1HD1 ILE 88 1.422 -3.792 -5.838 767 2HD1 ILE 88 2HD1 ILE 88 2.308 -5.056 -6.690 768 3HD1 ILE 88 3HD1 ILE 88 1.370 -3.871 -7.598 769 H GLY 89 H GLY 89 6.073 -3.952 -7.644 770 1HA GLY 89 2HA GLY 89 8.604 -3.697 -8.308 771 2HA GLY 89 1HA GLY 89 8.870 -4.331 -6.683 772 H LYS 90 H LYS 90 7.635 -6.443 -6.226 773 HA LYS 90 HA LYS 90 7.610 -8.156 -8.687 774 1HB LYS 90 2HB LYS 90 8.372 -9.207 -5.966 775 2HB LYS 90 1HB LYS 90 8.745 -9.874 -7.555 776 1HG LYS 90 2HG LYS 90 10.168 -7.842 -7.994 777 2HG LYS 90 1HG LYS 90 9.905 -7.364 -6.316 778 1HD LYS 90 2HD LYS 90 11.898 -8.544 -6.110 779 2HD LYS 90 1HD LYS 90 10.731 -9.831 -5.809 780 1HE LYS 90 2HE LYS 90 10.869 -10.536 -8.156 781 2HE LYS 90 1HE LYS 90 11.981 -9.213 -8.506 782 1HZ LYS 90 1HZ LYS 90 13.147 -11.305 -8.125 783 2HZ LYS 90 2HZ LYS 90 12.479 -11.407 -6.565 784 3HZ LYS 90 3HZ LYS 90 13.556 -10.151 -6.952 785 H ARG 91 H ARG 91 6.717 -10.491 -7.353 786 HA ARG 91 HA ARG 91 4.264 -9.814 -5.888 787 1HB ARG 91 2HB ARG 91 2.803 -10.970 -7.574 788 2HB ARG 91 1HB ARG 91 3.478 -9.448 -8.152 789 1HG ARG 91 2HG ARG 91 4.841 -10.471 -9.692 790 2HG ARG 91 1HG ARG 91 5.108 -11.887 -8.676 791 1HD ARG 91 2HD ARG 91 2.867 -12.720 -9.198 792 2HD ARG 91 1HD ARG 91 2.531 -11.278 -10.153 793 HE ARG 91 HE ARG 91 4.199 -13.542 -10.980 794 1HH1 ARG 91 1HH2 ARG 91 3.342 -10.225 -11.362 795 2HH1 ARG 91 2HH2 ARG 91 3.922 -10.125 -12.991 796 1HH2 ARG 91 1HH1 ARG 91 4.960 -13.431 -13.105 797 2HH2 ARG 91 2HH1 ARG 91 4.837 -11.941 -13.978 798 H ILE 92 H ILE 92 3.115 -12.448 -6.841 799 HA ILE 92 HA ILE 92 5.075 -14.332 -5.608 800 HB ILE 92 HB ILE 92 2.160 -14.003 -4.834 801 1HG1 ILE 92 2HG1 ILE 92 4.644 -13.865 -3.106 802 2HG1 ILE 92 1HG1 ILE 92 3.914 -12.438 -3.840 803 1HG2 ILE 92 1HG2 ILE 92 2.783 -15.855 -3.181 804 2HG2 ILE 92 2HG2 ILE 92 4.204 -16.136 -4.187 805 3HG2 ILE 92 3HG2 ILE 92 2.588 -16.351 -4.863 806 1HD1 ILE 92 1HD1 ILE 92 3.125 -12.840 -1.502 807 2HD1 ILE 92 2HD1 ILE 92 2.434 -14.371 -2.037 808 3HD1 ILE 92 3HD1 ILE 92 1.817 -12.851 -2.683 809 H PHE 93 H PHE 93 1.975 -13.993 -7.347 810 HA PHE 93 HA PHE 93 2.100 -16.741 -8.339 811 1HB PHE 93 2HB PHE 93 0.326 -14.387 -9.049 812 2HB PHE 93 1HB PHE 93 0.139 -16.001 -9.737 813 HD1 PHE 93 1HD PHE 93 0.434 -14.276 -6.416 814 HD2 PHE 93 2HD PHE 93 -1.225 -17.557 -8.641 815 HE1 PHE 93 1HE PHE 93 -0.862 -14.974 -4.421 816 HE2 PHE 93 2HE PHE 93 -2.519 -18.255 -6.644 817 HZ PHE 93 HZ PHE 93 -2.337 -16.964 -4.534 818 H ARG 94 H ARG 94 4.075 -16.863 -9.509 819 HA ARG 94 HA ARG 94 4.289 -15.080 -11.902 820 1HB ARG 94 2HB ARG 94 6.678 -16.198 -11.912 821 2HB ARG 94 1HB ARG 94 6.327 -14.888 -10.783 822 1HG ARG 94 2HG ARG 94 5.944 -16.428 -8.981 823 2HG ARG 94 1HG ARG 94 5.974 -17.811 -10.077 824 1HD ARG 94 2HD ARG 94 8.128 -17.115 -8.653 825 2HD ARG 94 1HD ARG 94 8.275 -17.779 -10.280 826 HE ARG 94 HE ARG 94 8.101 -15.101 -10.786 827 1HH1 ARG 94 1HH2 ARG 94 9.919 -17.000 -8.555 828 2HH1 ARG 94 2HH2 ARG 94 11.265 -15.911 -8.521 829 1HH2 ARG 94 1HH1 ARG 94 9.849 -13.669 -10.755 830 2HH2 ARG 94 2HH1 ARG 94 11.225 -14.026 -9.767 831 H TYR 95 H TYR 95 2.499 -16.604 -12.733 832 HA TYR 95 HA TYR 95 1.846 -18.423 -14.076 833 1HB TYR 95 2HB TYR 95 4.730 -18.014 -14.913 834 2HB TYR 95 1HB TYR 95 3.619 -19.094 -15.755 835 HD1 TYR 95 1HD TYR 95 2.034 -18.252 -17.307 836 HD2 TYR 95 2HD TYR 95 4.103 -15.555 -14.681 837 HE1 TYR 95 1HE TYR 95 1.109 -16.323 -18.560 838 HE2 TYR 95 2HE TYR 95 3.178 -13.625 -15.935 839 HH TYR 95 HH TYR 95 1.363 -14.073 -18.916 Start of MODEL 9 1 H ALA 1 H ALA 1 -19.860 -13.071 8.623 2 HA ALA 1 HA ALA 1 -17.762 -13.962 7.966 3 1HB ALA 1 1HB ALA 1 -19.070 -16.255 9.459 4 2HB ALA 1 2HB ALA 1 -18.089 -14.970 10.161 5 3HB ALA 1 3HB ALA 1 -17.348 -16.160 9.091 6 H GLY 2 H GLY 2 -17.757 -14.159 5.716 7 1HA GLY 2 2HA GLY 2 -17.417 -16.578 4.452 8 2HA GLY 2 1HA GLY 2 -19.166 -16.347 4.385 9 H TYR 3 H TYR 3 -16.075 -14.854 3.473 10 HA TYR 3 HA TYR 3 -17.378 -12.865 1.770 11 1HB TYR 3 2HB TYR 3 -14.518 -13.688 2.270 12 2HB TYR 3 1HB TYR 3 -14.924 -12.582 0.959 13 HD1 TYR 3 1HD TYR 3 -16.089 -10.419 1.464 14 HD2 TYR 3 2HD TYR 3 -14.557 -12.977 4.555 15 HE1 TYR 3 1HE TYR 3 -16.216 -8.542 3.079 16 HE2 TYR 3 2HE TYR 3 -14.683 -11.100 6.171 17 HH TYR 3 HH TYR 3 -16.067 -7.963 5.239 18 H THR 4 H THR 4 -17.709 -13.013 -0.426 19 HA THR 4 HA THR 4 -16.834 -15.545 -1.773 20 HB THR 4 HB THR 4 -18.910 -15.452 -3.080 21 HG1 THR 4 1HG THR 4 -18.912 -12.961 -2.249 22 1HG2 THR 4 1HG2 THR 4 -20.490 -15.978 -1.285 23 2HG2 THR 4 2HG2 THR 4 -19.451 -15.169 -0.111 24 3HG2 THR 4 3HG2 THR 4 -18.903 -16.647 -0.904 25 H GLU 5 H GLU 5 -16.272 -15.311 -4.021 26 HA GLU 5 HA GLU 5 -14.712 -13.130 -4.741 27 1HB GLU 5 2HB GLU 5 -16.411 -14.711 -6.692 28 2HB GLU 5 1HB GLU 5 -14.899 -13.872 -7.041 29 1HG GLU 5 2HG GLU 5 -13.775 -15.369 -5.345 30 2HG GLU 5 1HG GLU 5 -15.277 -16.291 -5.257 31 H ILE 6 H ILE 6 -18.207 -13.524 -5.237 32 HA ILE 6 HA ILE 6 -18.662 -11.203 -6.800 33 HB ILE 6 HB ILE 6 -20.449 -12.440 -4.684 34 1HG1 ILE 6 2HG1 ILE 6 -19.541 -13.818 -6.740 35 2HG1 ILE 6 1HG1 ILE 6 -21.251 -13.895 -6.326 36 1HG2 ILE 6 1HG2 ILE 6 -22.237 -11.402 -6.237 37 2HG2 ILE 6 2HG2 ILE 6 -20.923 -10.403 -6.859 38 3HG2 ILE 6 3HG2 ILE 6 -21.367 -10.316 -5.154 39 1HD1 ILE 6 1HD1 ILE 6 -20.574 -13.459 -8.813 40 2HD1 ILE 6 2HD1 ILE 6 -20.267 -11.813 -8.265 41 3HD1 ILE 6 3HD1 ILE 6 -21.880 -12.507 -8.107 42 H GLU 7 H GLU 7 -19.185 -11.496 -3.263 43 HA GLU 7 HA GLU 7 -19.600 -8.816 -2.665 44 1HB GLU 7 2HB GLU 7 -19.476 -10.898 -1.089 45 2HB GLU 7 1HB GLU 7 -17.777 -10.460 -0.914 46 1HG GLU 7 2HG GLU 7 -18.885 -9.327 0.858 47 2HG GLU 7 1HG GLU 7 -18.616 -8.091 -0.371 48 H LYS 8 H LYS 8 -16.384 -10.397 -2.534 49 HA LYS 8 HA LYS 8 -14.832 -8.098 -2.154 50 1HB LYS 8 2HB LYS 8 -14.236 -10.599 -3.756 51 2HB LYS 8 1HB LYS 8 -13.024 -9.368 -3.395 52 1HG LYS 8 2HG LYS 8 -13.367 -9.688 -0.995 53 2HG LYS 8 1HG LYS 8 -14.651 -10.855 -1.312 54 1HD LYS 8 2HD LYS 8 -13.157 -12.468 -2.146 55 2HD LYS 8 1HD LYS 8 -11.895 -11.275 -2.457 56 1HE LYS 8 2HE LYS 8 -11.274 -11.147 -0.209 57 2HE LYS 8 1HE LYS 8 -12.841 -11.722 0.362 58 1HZ LYS 8 1HZ LYS 8 -12.336 -13.898 -0.180 59 2HZ LYS 8 2HZ LYS 8 -10.856 -13.318 0.418 60 3HZ LYS 8 3HZ LYS 8 -11.100 -13.465 -1.257 61 H LEU 9 H LEU 9 -16.114 -9.401 -5.209 62 HA LEU 9 HA LEU 9 -14.771 -7.530 -6.909 63 1HB LEU 9 2HB LEU 9 -16.234 -9.711 -7.421 64 2HB LEU 9 1HB LEU 9 -17.511 -8.517 -7.623 65 HG LEU 9 HG LEU 9 -16.483 -8.893 -9.781 66 1HD1 LEU 9 1HD1 LEU 9 -17.029 -6.508 -8.955 67 2HD1 LEU 9 2HD1 LEU 9 -15.997 -6.658 -10.377 68 3HD1 LEU 9 3HD1 LEU 9 -15.284 -6.302 -8.806 69 1HD2 LEU 9 1HD2 LEU 9 -13.807 -7.881 -8.937 70 2HD2 LEU 9 2HD2 LEU 9 -14.224 -9.076 -10.163 71 3HD2 LEU 9 3HD2 LEU 9 -14.209 -9.531 -8.461 72 H GLU 10 H GLU 10 -18.014 -7.460 -5.417 73 HA GLU 10 HA GLU 10 -18.895 -5.007 -6.508 74 1HB GLU 10 2HB GLU 10 -19.446 -6.214 -3.781 75 2HB GLU 10 1HB GLU 10 -20.340 -4.858 -4.468 76 1HG GLU 10 2HG GLU 10 -21.010 -6.254 -6.384 77 2HG GLU 10 1HG GLU 10 -20.102 -7.612 -5.715 78 H ILE 11 H ILE 11 -17.372 -5.475 -3.287 79 HA ILE 11 HA ILE 11 -17.044 -2.660 -2.835 80 HB ILE 11 HB ILE 11 -15.154 -3.657 -1.220 81 1HG1 ILE 11 2HG1 ILE 11 -16.942 -6.057 -1.352 82 2HG1 ILE 11 1HG1 ILE 11 -15.644 -5.934 -2.538 83 1HG2 ILE 11 1HG2 ILE 11 -18.155 -3.938 -0.936 84 2HG2 ILE 11 2HG2 ILE 11 -17.141 -2.613 -0.365 85 3HG2 ILE 11 3HG2 ILE 11 -17.032 -4.199 0.399 86 1HD1 ILE 11 1HD1 ILE 11 -15.239 -7.053 -0.149 87 2HD1 ILE 11 2HD1 ILE 11 -14.958 -5.377 0.318 88 3HD1 ILE 11 3HD1 ILE 11 -13.980 -6.116 -0.951 89 H VAL 12 H VAL 12 -14.464 -5.068 -3.504 90 HA VAL 12 HA VAL 12 -12.311 -3.432 -3.900 91 HB VAL 12 HB VAL 12 -13.136 -5.724 -5.700 92 1HG1 VAL 12 1HG1 VAL 12 -10.547 -4.194 -5.404 93 2HG1 VAL 12 2HG1 VAL 12 -11.454 -4.523 -6.880 94 3HG1 VAL 12 3HG1 VAL 12 -10.600 -5.830 -6.060 95 1HG2 VAL 12 1HG2 VAL 12 -11.091 -5.758 -3.479 96 2HG2 VAL 12 2HG2 VAL 12 -11.934 -7.119 -4.219 97 3HG2 VAL 12 3HG2 VAL 12 -12.799 -6.030 -3.136 98 H LYS 13 H LYS 13 -14.977 -3.821 -6.220 99 HA LYS 13 HA LYS 13 -13.655 -2.058 -8.131 100 1HB LYS 13 2HB LYS 13 -15.258 -3.970 -8.703 101 2HB LYS 13 1HB LYS 13 -16.554 -2.884 -8.200 102 1HG LYS 13 2HG LYS 13 -15.837 -1.219 -9.852 103 2HG LYS 13 1HG LYS 13 -14.487 -2.248 -10.326 104 1HD LYS 13 2HD LYS 13 -16.045 -2.817 -11.956 105 2HD LYS 13 1HD LYS 13 -16.397 -4.038 -10.733 106 1HE LYS 13 2HE LYS 13 -18.492 -3.045 -11.460 107 2HE LYS 13 1HE LYS 13 -18.168 -2.520 -9.808 108 1HZ LYS 13 1HZ LYS 13 -16.951 -0.755 -11.648 109 2HZ LYS 13 2HZ LYS 13 -18.128 -0.424 -10.469 110 3HZ LYS 13 3HZ LYS 13 -18.597 -0.922 -12.025 111 H ASP 14 H ASP 14 -16.345 -1.713 -5.822 112 HA ASP 14 HA ASP 14 -16.913 1.006 -6.722 113 1HB ASP 14 2HB ASP 14 -17.858 -0.397 -4.213 114 2HB ASP 14 1HB ASP 14 -18.571 1.037 -4.954 115 H HIS 15 H HIS 15 -15.294 -0.376 -3.855 116 HA HIS 15 HA HIS 15 -14.966 2.154 -2.547 117 1HB HIS 15 2HB HIS 15 -13.838 0.994 -0.889 118 2HB HIS 15 1HB HIS 15 -14.798 -0.291 -1.618 119 HD1 HIS 15 1HD HIS 15 -11.624 -0.020 -0.338 120 HD2 HIS 15 2HD HIS 15 -12.952 -1.189 -4.116 121 HE1 HIS 15 1HE HIS 15 -9.752 -1.384 -1.367 122 HE2 HIS 15 2HE HIS 15 -10.550 -2.099 -3.665 123 H LEU 16 H LEU 16 -12.791 0.346 -4.721 124 HA LEU 16 HA LEU 16 -10.378 1.548 -4.371 125 1HB LEU 16 2HB LEU 16 -10.074 1.563 -6.886 126 2HB LEU 16 1HB LEU 16 -10.600 0.033 -6.192 127 HG LEU 16 HG LEU 16 -13.002 0.835 -6.721 128 1HD1 LEU 16 1HD1 LEU 16 -13.203 2.900 -7.611 129 2HD1 LEU 16 2HD1 LEU 16 -12.383 2.307 -9.050 130 3HD1 LEU 16 3HD1 LEU 16 -11.455 3.068 -7.763 131 1HD2 LEU 16 1HD2 LEU 16 -12.864 -0.102 -8.954 132 2HD2 LEU 16 2HD2 LEU 16 -11.701 -0.951 -7.935 133 3HD2 LEU 16 3HD2 LEU 16 -11.150 0.290 -9.058 134 H LEU 17 H LEU 17 -13.157 3.222 -5.844 135 HA LEU 17 HA LEU 17 -11.590 5.545 -6.542 136 1HB LEU 17 2HB LEU 17 -14.439 4.772 -6.618 137 2HB LEU 17 1HB LEU 17 -14.154 6.501 -6.413 138 HG LEU 17 HG LEU 17 -12.633 4.968 -8.513 139 1HD1 LEU 17 1HD1 LEU 17 -14.966 4.412 -8.945 140 2HD1 LEU 17 2HD1 LEU 17 -14.433 5.606 -10.127 141 3HD1 LEU 17 3HD1 LEU 17 -15.434 6.101 -8.764 142 1HD2 LEU 17 1HD2 LEU 17 -12.671 7.198 -9.607 143 2HD2 LEU 17 2HD2 LEU 17 -11.965 7.282 -7.993 144 3HD2 LEU 17 3HD2 LEU 17 -13.620 7.830 -8.262 145 HA PRO 18 HA PRO 18 -13.445 7.800 -2.740 146 1HB PRO 18 2HB PRO 18 -14.970 6.365 -0.965 147 2HB PRO 18 1HB PRO 18 -15.645 7.217 -2.368 148 1HG PRO 18 2HG PRO 18 -14.949 4.331 -2.070 149 2HG PRO 18 1HG PRO 18 -16.396 5.068 -2.782 150 1HD PRO 18 2HD PRO 18 -14.391 4.145 -4.342 151 2HD PRO 18 1HD PRO 18 -15.312 5.605 -4.771 152 H LYS 19 H LYS 19 -12.921 4.379 -1.802 153 HA LYS 19 HA LYS 19 -11.817 4.670 0.705 154 1HB LYS 19 2HB LYS 19 -12.061 2.561 -0.858 155 2HB LYS 19 1HB LYS 19 -10.372 2.893 -1.240 156 1HG LYS 19 2HG LYS 19 -11.516 2.474 1.540 157 2HG LYS 19 1HG LYS 19 -10.529 1.319 0.643 158 1HD LYS 19 2HD LYS 19 -8.776 3.226 0.517 159 2HD LYS 19 1HD LYS 19 -9.711 3.978 1.810 160 1HE LYS 19 2HE LYS 19 -9.466 1.916 3.167 161 2HE LYS 19 1HE LYS 19 -8.482 1.207 1.886 162 1HZ LYS 19 1HZ LYS 19 -7.197 3.478 2.209 163 2HZ LYS 19 2HZ LYS 19 -6.844 2.101 3.138 164 3HZ LYS 19 3HZ LYS 19 -7.828 3.330 3.776 165 H GLN 20 H GLN 20 -9.619 4.395 -2.098 166 HA GLN 20 HA GLN 20 -7.393 5.531 -0.722 167 1HB GLN 20 2HB GLN 20 -7.691 5.704 -3.706 168 2HB GLN 20 1HB GLN 20 -6.248 5.351 -2.756 169 1HG GLN 20 2HG GLN 20 -8.617 3.537 -3.271 170 2HG GLN 20 1HG GLN 20 -6.936 3.273 -3.732 171 1HE2 GLN 20 1HE2 GLN 20 -8.676 1.562 -1.973 172 2HE2 GLN 20 2HE2 GLN 20 -7.851 1.451 -0.494 173 H ILE 21 H ILE 21 -9.500 7.025 -3.208 174 HA ILE 21 HA ILE 21 -8.358 9.542 -3.316 175 HB ILE 21 HB ILE 21 -11.281 8.781 -3.388 176 1HG1 ILE 21 2HG1 ILE 21 -9.557 8.010 -5.160 177 2HG1 ILE 21 1HG1 ILE 21 -11.018 8.801 -5.744 178 1HG2 ILE 21 1HG2 ILE 21 -11.340 11.078 -2.801 179 2HG2 ILE 21 2HG2 ILE 21 -11.490 11.063 -4.559 180 3HG2 ILE 21 3HG2 ILE 21 -9.943 11.454 -3.809 181 1HD1 ILE 21 1HD1 ILE 21 -8.724 10.603 -5.142 182 2HD1 ILE 21 2HD1 ILE 21 -9.885 10.660 -6.463 183 3HD1 ILE 21 3HD1 ILE 21 -8.531 9.535 -6.530 184 H LYS 22 H LYS 22 -10.517 8.351 -0.743 185 HA LYS 22 HA LYS 22 -10.812 10.894 0.542 186 1HB LYS 22 2HB LYS 22 -12.194 8.818 0.982 187 2HB LYS 22 1HB LYS 22 -10.833 8.201 1.920 188 1HG LYS 22 2HG LYS 22 -10.943 10.121 3.422 189 2HG LYS 22 1HG LYS 22 -12.217 10.848 2.444 190 1HD LYS 22 2HD LYS 22 -13.494 9.834 4.099 191 2HD LYS 22 1HD LYS 22 -13.447 8.541 2.902 192 1HE LYS 22 2HE LYS 22 -12.872 7.472 4.935 193 2HE LYS 22 1HE LYS 22 -11.324 7.734 4.134 194 1HZ LYS 22 1HZ LYS 22 -10.668 9.081 5.754 195 2HZ LYS 22 2HZ LYS 22 -12.026 8.577 6.643 196 3HZ LYS 22 3HZ LYS 22 -12.101 9.986 5.696 197 H GLU 23 H GLU 23 -9.078 8.245 2.149 198 HA GLU 23 HA GLU 23 -7.477 9.739 3.824 199 1HB GLU 23 2HB GLU 23 -7.545 7.213 3.653 200 2HB GLU 23 1HB GLU 23 -6.437 7.341 2.289 201 1HG GLU 23 2HG GLU 23 -5.093 6.958 4.243 202 2HG GLU 23 1HG GLU 23 -4.886 8.655 3.805 203 H HIS 24 H HIS 24 -6.927 9.081 0.402 204 HA HIS 24 HA HIS 24 -4.392 10.550 0.359 205 1HB HIS 24 2HB HIS 24 -6.096 9.655 -1.984 206 2HB HIS 24 1HB HIS 24 -4.378 10.059 -2.009 207 HD1 HIS 24 1HD HIS 24 -5.676 8.082 0.875 208 HD2 HIS 24 2HD HIS 24 -3.752 7.331 -2.745 209 HE1 HIS 24 1HE HIS 24 -4.870 5.683 0.976 210 HE2 HIS 24 2HE HIS 24 -3.698 5.217 -1.223 211 H GLY 25 H GLY 25 -7.757 11.088 -0.539 212 1HA GLY 25 2HA GLY 25 -7.765 13.427 -1.970 213 2HA GLY 25 1HA GLY 25 -8.929 13.135 -0.679 214 H LEU 26 H LEU 26 -7.016 13.120 1.481 215 HA LEU 26 HA LEU 26 -7.047 15.678 2.438 216 1HB LEU 26 2HB LEU 26 -6.095 14.206 3.955 217 2HB LEU 26 1HB LEU 26 -5.083 13.439 2.735 218 HG LEU 26 HG LEU 26 -3.659 15.489 2.687 219 1HD1 LEU 26 1HD1 LEU 26 -5.206 16.317 5.155 220 2HD1 LEU 26 2HD1 LEU 26 -5.523 16.995 3.560 221 3HD1 LEU 26 3HD1 LEU 26 -3.951 17.228 4.318 222 1HD2 LEU 26 1HD2 LEU 26 -3.075 13.559 4.112 223 2HD2 LEU 26 2HD2 LEU 26 -4.034 14.242 5.425 224 3HD2 LEU 26 3HD2 LEU 26 -2.584 15.077 4.865 225 H LYS 27 H LYS 27 -4.701 14.413 0.088 226 HA LYS 27 HA LYS 27 -3.583 17.156 -0.248 227 1HB LYS 27 2HB LYS 27 -2.131 14.997 0.000 228 2HB LYS 27 1HB LYS 27 -2.604 14.677 -1.667 229 1HG LYS 27 2HG LYS 27 -0.560 15.873 -1.840 230 2HG LYS 27 1HG LYS 27 -1.811 17.065 -2.188 231 1HD LYS 27 2HD LYS 27 -1.542 18.150 -0.137 232 2HD LYS 27 1HD LYS 27 -0.872 16.722 0.649 233 1HE LYS 27 2HE LYS 27 0.596 18.093 -1.602 234 2HE LYS 27 1HE LYS 27 0.758 18.644 0.066 235 1HZ LYS 27 1HZ LYS 27 1.702 16.188 -1.180 236 2HZ LYS 27 2HZ LYS 27 1.110 16.049 0.407 237 3HZ LYS 27 3HZ LYS 27 2.393 17.109 0.066 238 H LYS 28 H LYS 28 -3.368 17.917 -2.554 239 HA LYS 28 HA LYS 28 -5.766 18.016 -3.945 240 1HB LYS 28 2HB LYS 28 -4.523 18.745 -5.885 241 2HB LYS 28 1HB LYS 28 -3.694 19.360 -4.455 242 1HG LYS 28 2HG LYS 28 -2.214 17.295 -4.567 243 2HG LYS 28 1HG LYS 28 -2.925 16.971 -6.149 244 1HD LYS 28 2HD LYS 28 -2.265 19.431 -6.697 245 2HD LYS 28 1HD LYS 28 -1.194 19.288 -5.303 246 1HE LYS 28 2HE LYS 28 -1.183 17.585 -7.807 247 2HE LYS 28 1HE LYS 28 0.089 18.671 -7.245 248 1HZ LYS 28 1HZ LYS 28 0.570 16.345 -6.736 249 2HZ LYS 28 2HZ LYS 28 -0.851 16.245 -5.809 250 3HZ LYS 28 3HZ LYS 28 0.415 17.270 -5.323 251 H SER 29 H SER 29 -6.591 16.879 -5.824 252 HA SER 29 HA SER 29 -6.764 14.133 -5.720 253 1HB SER 29 2HB SER 29 -8.164 15.228 -7.292 254 2HB SER 29 1HB SER 29 -6.797 15.981 -8.108 255 HG SER 29 HG SER 29 -6.940 14.308 -9.375 256 H ASN 30 H ASN 30 -4.826 13.085 -5.212 257 HA ASN 30 HA ASN 30 -2.710 13.145 -7.332 258 1HB ASN 30 2HB ASN 30 -2.253 14.016 -4.892 259 2HB ASN 30 1HB ASN 30 -2.173 12.299 -4.496 260 1HD2 ASN 30 1HD2 ASN 30 -1.124 11.771 -7.348 261 2HD2 ASN 30 2HD2 ASN 30 0.513 12.211 -7.268 262 H LEU 31 H LEU 31 -4.880 11.383 -7.634 263 HA LEU 31 HA LEU 31 -3.429 8.851 -7.633 264 1HB LEU 31 2HB LEU 31 -4.435 9.055 -5.298 265 2HB LEU 31 1HB LEU 31 -6.014 8.938 -6.072 266 HG LEU 31 HG LEU 31 -5.044 6.814 -7.226 267 1HD1 LEU 31 1HD1 LEU 31 -3.081 7.305 -4.981 268 2HD1 LEU 31 2HD1 LEU 31 -2.744 6.908 -6.665 269 3HD1 LEU 31 3HD1 LEU 31 -3.400 5.680 -5.586 270 1HD2 LEU 31 1HD2 LEU 31 -6.823 6.554 -5.679 271 2HD2 LEU 31 2HD2 LEU 31 -5.817 7.043 -4.314 272 3HD2 LEU 31 3HD2 LEU 31 -5.559 5.477 -5.085 273 H GLN 32 H GLN 32 -4.065 7.694 -9.383 274 HA GLN 32 HA GLN 32 -6.830 8.021 -10.421 275 1HB GLN 32 2HB GLN 32 -4.350 8.966 -11.720 276 2HB GLN 32 1HB GLN 32 -5.371 7.973 -12.760 277 1HG GLN 32 2HG GLN 32 -6.452 10.296 -11.147 278 2HG GLN 32 1HG GLN 32 -5.859 10.476 -12.798 279 1HE2 GLN 32 1HE2 GLN 32 -8.604 9.612 -10.922 280 2HE2 GLN 32 2HE2 GLN 32 -9.547 8.974 -12.181 281 H LEU 33 H LEU 33 -6.936 5.836 -9.475 282 HA LEU 33 HA LEU 33 -5.314 3.742 -10.781 283 1HB LEU 33 2HB LEU 33 -7.048 3.949 -8.383 284 2HB LEU 33 1HB LEU 33 -7.129 2.401 -9.223 285 HG LEU 33 HG LEU 33 -4.610 2.314 -9.150 286 1HD1 LEU 33 1HD1 LEU 33 -4.855 4.531 -7.111 287 2HD1 LEU 33 2HD1 LEU 33 -4.452 4.856 -8.797 288 3HD1 LEU 33 3HD1 LEU 33 -3.386 3.855 -7.812 289 1HD2 LEU 33 1HD2 LEU 33 -4.534 1.530 -6.889 290 2HD2 LEU 33 2HD2 LEU 33 -6.184 1.245 -7.442 291 3HD2 LEU 33 3HD2 LEU 33 -5.830 2.620 -6.396 292 H ARG 34 H ARG 34 -6.046 2.541 -12.465 293 HA ARG 34 HA ARG 34 -8.844 2.989 -13.384 294 1HB ARG 34 2HB ARG 34 -6.346 2.829 -14.727 295 2HB ARG 34 1HB ARG 34 -7.242 1.387 -15.195 296 1HG ARG 34 2HG ARG 34 -8.451 4.164 -15.279 297 2HG ARG 34 1HG ARG 34 -7.626 3.436 -16.657 298 1HD ARG 34 2HD ARG 34 -9.193 1.503 -16.540 299 2HD ARG 34 1HD ARG 34 -10.056 2.313 -15.232 300 HE ARG 34 HE ARG 34 -10.178 3.022 -18.072 301 1HH1 ARG 34 1HH2 ARG 34 -10.580 3.989 -14.786 302 2HH1 ARG 34 2HH2 ARG 34 -11.699 5.258 -15.157 303 1HH2 ARG 34 1HH1 ARG 34 -11.636 4.673 -18.575 304 2HH2 ARG 34 2HH1 ARG 34 -12.297 5.645 -17.303 305 H ASP 35 H ASP 35 -10.198 1.170 -13.860 306 HA ASP 35 HA ASP 35 -10.242 -0.936 -12.040 307 1HB ASP 35 2HB ASP 35 -11.236 -0.893 -14.903 308 2HB ASP 35 1HB ASP 35 -11.641 -2.157 -13.742 309 H GLN 36 H GLN 36 -8.941 -1.119 -15.377 310 HA GLN 36 HA GLN 36 -7.978 -3.752 -15.286 311 1HB GLN 36 2HB GLN 36 -7.943 -2.055 -17.239 312 2HB GLN 36 1HB GLN 36 -6.398 -1.524 -16.574 313 1HG GLN 36 2HG GLN 36 -5.836 -3.182 -18.184 314 2HG GLN 36 1HG GLN 36 -5.707 -3.997 -16.625 315 1HE2 GLN 36 1HE2 GLN 36 -6.312 -6.123 -17.280 316 2HE2 GLN 36 2HE2 GLN 36 -7.834 -6.496 -17.936 317 H ALA 37 H ALA 37 -6.387 -0.778 -14.140 318 HA ALA 37 HA ALA 37 -3.884 -1.861 -13.438 319 1HB ALA 37 1HB ALA 37 -4.717 0.584 -13.293 320 2HB ALA 37 2HB ALA 37 -3.589 0.034 -12.053 321 3HB ALA 37 3HB ALA 37 -5.311 0.145 -11.691 322 H ILE 38 H ILE 38 -6.413 -1.201 -10.995 323 HA ILE 38 HA ILE 38 -5.405 -2.771 -8.944 324 HB ILE 38 HB ILE 38 -8.275 -2.256 -9.751 325 1HG1 ILE 38 2HG1 ILE 38 -6.582 -1.198 -7.467 326 2HG1 ILE 38 1HG1 ILE 38 -6.782 -0.367 -9.008 327 1HG2 ILE 38 1HG2 ILE 38 -8.409 -4.263 -8.460 328 2HG2 ILE 38 2HG2 ILE 38 -8.741 -2.957 -7.324 329 3HG2 ILE 38 3HG2 ILE 38 -7.152 -3.719 -7.350 330 1HD1 ILE 38 1HD1 ILE 38 -8.395 0.011 -6.833 331 2HD1 ILE 38 2HD1 ILE 38 -9.315 -1.196 -7.730 332 3HD1 ILE 38 3HD1 ILE 38 -8.884 0.334 -8.495 333 H LEU 39 H LEU 39 -7.470 -3.886 -11.636 334 HA LEU 39 HA LEU 39 -7.862 -6.541 -10.891 335 1HB LEU 39 2HB LEU 39 -7.964 -5.043 -13.325 336 2HB LEU 39 1HB LEU 39 -7.080 -6.529 -13.662 337 HG LEU 39 HG LEU 39 -9.726 -6.513 -12.192 338 1HD1 LEU 39 1HD1 LEU 39 -10.189 -5.559 -14.351 339 2HD1 LEU 39 2HD1 LEU 39 -10.660 -7.258 -14.427 340 3HD1 LEU 39 3HD1 LEU 39 -9.143 -6.730 -15.155 341 1HD2 LEU 39 1HD2 LEU 39 -8.097 -8.631 -13.632 342 2HD2 LEU 39 2HD2 LEU 39 -9.728 -8.891 -13.013 343 3HD2 LEU 39 3HD2 LEU 39 -8.408 -8.539 -11.898 344 H ASP 40 H ASP 40 -5.041 -5.260 -12.656 345 HA ASP 40 HA ASP 40 -3.540 -7.683 -12.656 346 1HB ASP 40 2HB ASP 40 -2.564 -4.809 -12.620 347 2HB ASP 40 1HB ASP 40 -1.567 -6.212 -13.011 348 H ILE 41 H ILE 41 -3.731 -5.040 -10.283 349 HA ILE 41 HA ILE 41 -1.647 -5.923 -8.565 350 HB ILE 41 HB ILE 41 -4.242 -4.595 -7.728 351 1HG1 ILE 41 2HG1 ILE 41 -1.646 -3.451 -8.804 352 2HG1 ILE 41 1HG1 ILE 41 -3.240 -3.326 -9.543 353 1HG2 ILE 41 1HG2 ILE 41 -2.757 -5.508 -5.914 354 2HG2 ILE 41 2HG2 ILE 41 -2.934 -3.757 -5.858 355 3HG2 ILE 41 3HG2 ILE 41 -1.464 -4.471 -6.516 356 1HD1 ILE 41 1HD1 ILE 41 -2.173 -1.933 -7.107 357 2HD1 ILE 41 2HD1 ILE 41 -3.907 -2.214 -7.254 358 3HD1 ILE 41 3HD1 ILE 41 -3.062 -1.260 -8.472 359 H ILE 42 H ILE 42 -5.119 -6.324 -7.756 360 HA ILE 42 HA ILE 42 -4.774 -8.343 -5.851 361 HB ILE 42 HB ILE 42 -7.146 -9.106 -6.948 362 1HG1 ILE 42 2HG1 ILE 42 -6.973 -6.175 -7.648 363 2HG1 ILE 42 1HG1 ILE 42 -6.594 -7.418 -8.841 364 1HG2 ILE 42 1HG2 ILE 42 -7.044 -8.319 -4.708 365 2HG2 ILE 42 2HG2 ILE 42 -8.137 -7.206 -5.532 366 3HG2 ILE 42 3HG2 ILE 42 -6.470 -6.729 -5.210 367 1HD1 ILE 42 1HD1 ILE 42 -9.008 -6.619 -8.843 368 2HD1 ILE 42 2HD1 ILE 42 -9.178 -7.389 -7.265 369 3HD1 ILE 42 3HD1 ILE 42 -8.793 -8.362 -8.685 370 H ARG 43 H ARG 43 -5.126 -8.694 -9.378 371 HA ARG 43 HA ARG 43 -5.191 -11.511 -9.526 372 1HB ARG 43 2HB ARG 43 -5.470 -9.962 -11.474 373 2HB ARG 43 1HB ARG 43 -3.738 -9.643 -11.425 374 1HG ARG 43 2HG ARG 43 -4.051 -11.345 -13.076 375 2HG ARG 43 1HG ARG 43 -3.385 -12.155 -11.660 376 1HD ARG 43 2HD ARG 43 -5.216 -13.467 -11.478 377 2HD ARG 43 1HD ARG 43 -6.288 -12.069 -11.511 378 HE ARG 43 HE ARG 43 -5.296 -12.652 -14.156 379 1HH1 ARG 43 1HH2 ARG 43 -7.484 -13.648 -11.685 380 2HH1 ARG 43 2HH2 ARG 43 -8.614 -14.361 -12.787 381 1HH2 ARG 43 1HH1 ARG 43 -6.758 -13.575 -15.610 382 2HH2 ARG 43 2HH1 ARG 43 -8.203 -14.319 -15.010 383 H TYR 44 H TYR 44 -2.414 -9.318 -9.190 384 HA TYR 44 HA TYR 44 -0.424 -11.398 -9.417 385 1HB TYR 44 2HB TYR 44 -0.452 -8.552 -8.443 386 2HB TYR 44 1HB TYR 44 0.951 -9.563 -8.106 387 HD1 TYR 44 1HD TYR 44 -1.246 -9.736 -11.122 388 HD2 TYR 44 2HD TYR 44 2.579 -8.591 -9.535 389 HE1 TYR 44 1HE TYR 44 -0.407 -9.357 -13.418 390 HE2 TYR 44 2HE TYR 44 3.418 -8.213 -11.835 391 HH TYR 44 HH TYR 44 1.582 -9.167 -14.641 392 H TYR 45 H TYR 45 -2.126 -9.879 -6.707 393 HA TYR 45 HA TYR 45 -0.684 -11.556 -4.758 394 1HB TYR 45 2HB TYR 45 -2.909 -9.521 -4.461 395 2HB TYR 45 1HB TYR 45 -2.178 -10.388 -3.111 396 HD1 TYR 45 1HD TYR 45 -1.903 -7.569 -5.294 397 HD2 TYR 45 2HD TYR 45 0.384 -10.257 -2.853 398 HE1 TYR 45 1HE TYR 45 -0.036 -5.942 -5.256 399 HE2 TYR 45 2HE TYR 45 2.252 -8.635 -2.812 400 HH TYR 45 HH TYR 45 2.825 -6.480 -3.247 401 H THR 46 H THR 46 -4.190 -10.956 -5.165 402 HA THR 46 HA THR 46 -5.990 -12.431 -4.904 403 HB THR 46 HB THR 46 -4.326 -14.746 -5.795 404 HG1 THR 46 1HG THR 46 -4.638 -13.689 -7.986 405 1HG2 THR 46 1HG2 THR 46 -6.847 -14.722 -5.562 406 2HG2 THR 46 2HG2 THR 46 -6.255 -15.201 -7.153 407 3HG2 THR 46 3HG2 THR 46 -6.886 -13.573 -6.899 408 H ARG 47 H ARG 47 -3.416 -12.412 -2.995 409 HA ARG 47 HA ARG 47 -3.569 -14.940 -1.612 410 1HB ARG 47 2HB ARG 47 -2.339 -13.699 0.207 411 2HB ARG 47 1HB ARG 47 -1.570 -13.609 -1.375 412 1HG ARG 47 2HG ARG 47 -1.557 -11.355 -1.082 413 2HG ARG 47 1HG ARG 47 -3.291 -11.416 -1.394 414 1HD ARG 47 2HD ARG 47 -3.560 -11.912 1.116 415 2HD ARG 47 1HD ARG 47 -1.877 -11.409 1.276 416 HE ARG 47 HE ARG 47 -3.501 -9.463 -0.162 417 1HH1 ARG 47 1HH2 ARG 47 -2.491 -10.693 2.897 418 2HH1 ARG 47 2HH2 ARG 47 -2.753 -9.199 3.734 419 1HH2 ARG 47 1HH1 ARG 47 -3.847 -7.504 0.913 420 2HH2 ARG 47 2HH1 ARG 47 -3.521 -7.394 2.611 421 H GLU 48 H GLU 48 -5.117 -15.602 -0.211 422 HA GLU 48 HA GLU 48 -7.293 -13.784 0.507 423 1HB GLU 48 2HB GLU 48 -8.314 -15.749 1.530 424 2HB GLU 48 1HB GLU 48 -7.676 -16.189 -0.055 425 1HG GLU 48 2HG GLU 48 -5.540 -16.900 1.185 426 2HG GLU 48 1HG GLU 48 -6.497 -16.789 2.661 427 H ALA 49 H ALA 49 -7.756 -13.014 2.581 428 HA ALA 49 HA ALA 49 -6.609 -13.801 5.020 429 1HB ALA 49 1HB ALA 49 -4.912 -11.912 3.414 430 2HB ALA 49 2HB ALA 49 -4.413 -13.247 4.452 431 3HB ALA 49 3HB ALA 49 -4.962 -11.733 5.167 432 H GLY 50 H GLY 50 -9.016 -12.636 3.832 433 1HA GLY 50 2HA GLY 50 -10.705 -11.287 4.842 434 2HA GLY 50 1HA GLY 50 -9.469 -10.524 5.844 435 H VAL 51 H VAL 51 -11.577 -9.304 4.086 436 HA VAL 51 HA VAL 51 -10.235 -8.162 1.793 437 HB VAL 51 HB VAL 51 -12.201 -6.450 2.038 438 1HG1 VAL 51 1HG1 VAL 51 -12.489 -9.413 1.511 439 2HG1 VAL 51 2HG1 VAL 51 -12.301 -8.111 0.335 440 3HG1 VAL 51 3HG1 VAL 51 -13.810 -8.278 1.234 441 1HG2 VAL 51 1HG2 VAL 51 -13.980 -7.092 3.493 442 2HG2 VAL 51 2HG2 VAL 51 -12.522 -7.180 4.481 443 3HG2 VAL 51 3HG2 VAL 51 -13.238 -8.655 3.831 444 H ARG 52 H ARG 52 -10.811 -7.058 5.125 445 HA ARG 52 HA ARG 52 -9.976 -4.411 4.976 446 1HB ARG 52 2HB ARG 52 -9.132 -4.674 7.292 447 2HB ARG 52 1HB ARG 52 -10.696 -5.455 7.078 448 1HG ARG 52 2HG ARG 52 -9.690 -7.275 8.010 449 2HG ARG 52 1HG ARG 52 -8.974 -7.498 6.415 450 1HD ARG 52 2HD ARG 52 -7.131 -7.545 7.912 451 2HD ARG 52 1HD ARG 52 -7.103 -5.920 7.228 452 HE ARG 52 HE ARG 52 -8.678 -5.893 9.613 453 1HH1 ARG 52 1HH2 ARG 52 -5.448 -6.267 8.464 454 2HH1 ARG 52 2HH2 ARG 52 -4.723 -5.624 9.898 455 1HH2 ARG 52 1HH1 ARG 52 -7.748 -5.052 11.493 456 2HH2 ARG 52 2HH1 ARG 52 -6.024 -4.935 11.613 457 H SER 53 H SER 53 -7.928 -7.317 5.017 458 HA SER 53 HA SER 53 -5.431 -5.890 5.062 459 1HB SER 53 2HB SER 53 -5.840 -8.596 3.794 460 2HB SER 53 1HB SER 53 -4.404 -7.976 4.606 461 HG SER 53 HG SER 53 -5.598 -7.991 6.549 462 H LEU 54 H LEU 54 -7.285 -7.375 2.400 463 HA LEU 54 HA LEU 54 -5.600 -6.654 0.268 464 1HB LEU 54 2HB LEU 54 -8.535 -7.131 0.557 465 2HB LEU 54 1HB LEU 54 -7.998 -6.335 -0.921 466 HG LEU 54 HG LEU 54 -6.637 -8.843 0.062 467 1HD1 LEU 54 1HD1 LEU 54 -9.074 -8.689 -1.739 468 2HD1 LEU 54 2HD1 LEU 54 -9.055 -9.333 -0.098 469 3HD1 LEU 54 3HD1 LEU 54 -8.153 -10.147 -1.376 470 1HD2 LEU 54 1HD2 LEU 54 -6.343 -9.054 -2.485 471 2HD2 LEU 54 2HD2 LEU 54 -5.443 -7.761 -1.698 472 3HD2 LEU 54 3HD2 LEU 54 -6.923 -7.393 -2.580 473 H GLU 55 H GLU 55 -8.166 -4.748 1.837 474 HA GLU 55 HA GLU 55 -7.904 -2.425 0.205 475 1HB GLU 55 2HB GLU 55 -8.664 -2.596 3.139 476 2HB GLU 55 1HB GLU 55 -8.986 -1.231 2.068 477 1HG GLU 55 2HG GLU 55 -10.461 -2.553 0.697 478 2HG GLU 55 1HG GLU 55 -9.999 -4.035 1.536 479 H ARG 56 H ARG 56 -6.201 -3.476 3.138 480 HA ARG 56 HA ARG 56 -4.694 -1.074 3.516 481 1HB ARG 56 2HB ARG 56 -4.949 -3.334 4.960 482 2HB ARG 56 1HB ARG 56 -3.425 -3.704 4.159 483 1HG ARG 56 2HG ARG 56 -2.785 -2.590 6.152 484 2HG ARG 56 1HG ARG 56 -2.658 -1.359 4.898 485 1HD ARG 56 2HD ARG 56 -5.295 -1.600 6.281 486 2HD ARG 56 1HD ARG 56 -3.962 -0.914 7.207 487 HE ARG 56 HE ARG 56 -3.846 0.470 4.825 488 1HH1 ARG 56 1HH2 ARG 56 -6.295 -0.279 7.134 489 2HH1 ARG 56 2HH2 ARG 56 -7.191 1.177 6.853 490 1HH2 ARG 56 1HH1 ARG 56 -5.002 2.376 4.447 491 2HH2 ARG 56 2HH1 ARG 56 -6.460 2.678 5.331 492 H GLN 57 H GLN 57 -4.103 -3.979 1.564 493 HA GLN 57 HA GLN 57 -1.449 -3.302 0.741 494 1HB GLN 57 2HB GLN 57 -2.718 -5.530 0.433 495 2HB GLN 57 1HB GLN 57 -3.434 -4.780 -0.992 496 1HG GLN 57 2HG GLN 57 -1.547 -5.842 -1.891 497 2HG GLN 57 1HG GLN 57 -0.958 -4.201 -1.621 498 1HE2 GLN 57 1HE2 GLN 57 -0.037 -7.354 -1.193 499 2HE2 GLN 57 2HE2 GLN 57 0.972 -7.178 0.161 500 H LEU 58 H LEU 58 -4.584 -2.782 -0.933 501 HA LEU 58 HA LEU 58 -3.475 -1.287 -3.101 502 1HB LEU 58 2HB LEU 58 -6.240 -0.927 -1.907 503 2HB LEU 58 1HB LEU 58 -5.743 -0.579 -3.563 504 HG LEU 58 HG LEU 58 -5.398 -3.355 -2.456 505 1HD1 LEU 58 1HD1 LEU 58 -7.694 -3.068 -1.984 506 2HD1 LEU 58 2HD1 LEU 58 -7.690 -3.791 -3.590 507 3HD1 LEU 58 3HD1 LEU 58 -7.952 -2.057 -3.404 508 1HD2 LEU 58 1HD2 LEU 58 -4.489 -2.484 -4.718 509 2HD2 LEU 58 2HD2 LEU 58 -6.170 -2.479 -5.245 510 3HD2 LEU 58 3HD2 LEU 58 -5.407 -3.988 -4.744 511 H ALA 59 H ALA 59 -4.682 -0.303 0.084 512 HA ALA 59 HA ALA 59 -4.449 2.517 -0.324 513 1HB ALA 59 1HB ALA 59 -5.609 1.754 1.639 514 2HB ALA 59 2HB ALA 59 -4.147 2.557 2.211 515 3HB ALA 59 3HB ALA 59 -4.223 0.797 2.161 516 H ALA 60 H ALA 60 -2.168 0.008 0.626 517 HA ALA 60 HA ALA 60 0.028 1.691 1.320 518 1HB ALA 60 1HB ALA 60 0.273 -1.022 0.011 519 2HB ALA 60 2HB ALA 60 -0.204 -0.824 1.697 520 3HB ALA 60 3HB ALA 60 1.380 -0.268 1.158 521 H ILE 61 H ILE 61 -0.423 -0.107 -1.772 522 HA ILE 61 HA ILE 61 1.694 1.230 -3.119 523 HB ILE 61 HB ILE 61 0.382 -0.870 -3.853 524 1HG1 ILE 61 2HG1 ILE 61 1.280 1.374 -5.659 525 2HG1 ILE 61 1HG1 ILE 61 2.090 -0.152 -5.306 526 1HG2 ILE 61 1HG2 ILE 61 -1.326 1.165 -5.293 527 2HG2 ILE 61 2HG2 ILE 61 -1.826 0.446 -3.764 528 3HG2 ILE 61 3HG2 ILE 61 -1.570 -0.577 -5.174 529 1HD1 ILE 61 1HD1 ILE 61 -0.310 0.328 -7.074 530 2HD1 ILE 61 2HD1 ILE 61 0.062 -1.276 -6.444 531 3HD1 ILE 61 3HD1 ILE 61 1.217 -0.449 -7.486 532 H CYS 62 H CYS 62 -1.770 2.012 -2.934 533 HA CYS 62 HA CYS 62 -1.855 4.150 -4.751 534 1HB CYS 62 2HB CYS 62 -3.319 3.720 -2.139 535 2HB CYS 62 1HB CYS 62 -3.691 5.051 -3.235 536 HG CYS 62 HG CYS 62 -4.394 2.103 -3.703 537 H ARG 63 H ARG 63 -1.663 4.677 -1.208 538 HA ARG 63 HA ARG 63 -0.777 7.361 -1.448 539 1HB ARG 63 2HB ARG 63 -0.209 7.249 0.878 540 2HB ARG 63 1HB ARG 63 -1.663 6.283 0.636 541 1HG ARG 63 2HG ARG 63 -0.045 4.280 0.347 542 2HG ARG 63 1HG ARG 63 1.168 5.333 1.075 543 1HD ARG 63 2HD ARG 63 -0.207 5.618 3.066 544 2HD ARG 63 1HD ARG 63 -1.514 4.690 2.333 545 HE ARG 63 HE ARG 63 -0.368 2.733 2.959 546 1HH1 ARG 63 1HH2 ARG 63 1.732 5.463 2.823 547 2HH1 ARG 63 2HH2 ARG 63 3.108 4.604 3.431 548 1HH2 ARG 63 1HH1 ARG 63 1.416 1.594 3.753 549 2HH2 ARG 63 2HH1 ARG 63 2.928 2.412 3.957 550 H LYS 64 H LYS 64 1.132 4.354 -1.065 551 HA LYS 64 HA LYS 64 3.701 5.366 -0.812 552 1HB LYS 64 2HB LYS 64 3.219 2.943 -1.049 553 2HB LYS 64 1HB LYS 64 2.856 3.188 -2.757 554 1HG LYS 64 2HG LYS 64 5.106 3.782 -3.258 555 2HG LYS 64 1HG LYS 64 5.510 3.986 -1.553 556 1HD LYS 64 2HD LYS 64 5.109 1.551 -1.199 557 2HD LYS 64 1HD LYS 64 4.820 1.375 -2.931 558 1HE LYS 64 2HE LYS 64 7.077 2.093 -3.443 559 2HE LYS 64 1HE LYS 64 7.380 2.491 -1.752 560 1HZ LYS 64 1HZ LYS 64 7.357 0.257 -1.145 561 2HZ LYS 64 2HZ LYS 64 8.225 0.268 -2.606 562 3HZ LYS 64 3HZ LYS 64 6.602 -0.236 -2.582 563 H ALA 65 H ALA 65 1.654 5.288 -3.674 564 HA ALA 65 HA ALA 65 3.628 6.521 -5.418 565 1HB ALA 65 1HB ALA 65 1.692 5.108 -6.218 566 2HB ALA 65 2HB ALA 65 1.819 6.671 -7.025 567 3HB ALA 65 3HB ALA 65 0.616 6.428 -5.760 568 H ALA 66 H ALA 66 0.887 7.646 -3.430 569 HA ALA 66 HA ALA 66 0.849 10.347 -4.343 570 1HB ALA 66 1HB ALA 66 -0.308 10.864 -2.285 571 2HB ALA 66 2HB ALA 66 0.333 9.418 -1.506 572 3HB ALA 66 3HB ALA 66 -0.843 9.268 -2.812 573 H LYS 67 H LYS 67 2.815 8.777 -1.831 574 HA LYS 67 HA LYS 67 4.118 11.229 -1.007 575 1HB LYS 67 2HB LYS 67 3.985 9.241 0.462 576 2HB LYS 67 1HB LYS 67 5.010 8.352 -0.665 577 1HG LYS 67 2HG LYS 67 6.869 9.820 -0.268 578 2HG LYS 67 1HG LYS 67 5.859 10.956 0.623 579 1HD LYS 67 2HD LYS 67 6.970 9.764 2.326 580 2HD LYS 67 1HD LYS 67 5.401 8.968 2.231 581 1HE LYS 67 2HE LYS 67 7.273 7.334 2.315 582 2HE LYS 67 1HE LYS 67 6.350 7.204 0.820 583 1HZ LYS 67 1HZ LYS 67 8.066 7.930 -0.404 584 2HZ LYS 67 2HZ LYS 67 9.007 7.442 0.923 585 3HZ LYS 67 3HZ LYS 67 8.560 9.071 0.747 586 H ALA 68 H ALA 68 4.913 8.627 -3.271 587 HA ALA 68 HA ALA 68 7.563 9.239 -3.898 588 1HB ALA 68 1HB ALA 68 7.197 8.195 -6.024 589 2HB ALA 68 2HB ALA 68 5.479 8.596 -5.998 590 3HB ALA 68 3HB ALA 68 6.119 7.384 -4.886 591 H ILE 69 H ILE 69 4.897 11.299 -4.174 592 HA ILE 69 HA ILE 69 5.274 12.819 -6.467 593 HB ILE 69 HB ILE 69 4.602 13.643 -3.642 594 1HG1 ILE 69 2HG1 ILE 69 3.078 12.276 -5.300 595 2HG1 ILE 69 1HG1 ILE 69 2.382 13.599 -4.367 596 1HG2 ILE 69 1HG2 ILE 69 4.926 15.367 -6.097 597 2HG2 ILE 69 2HG2 ILE 69 5.539 15.648 -4.467 598 3HG2 ILE 69 3HG2 ILE 69 3.816 15.819 -4.802 599 1HD1 ILE 69 1HD1 ILE 69 3.552 14.167 -7.079 600 2HD1 ILE 69 2HD1 ILE 69 2.279 15.025 -6.214 601 3HD1 ILE 69 3HD1 ILE 69 1.941 13.463 -6.956 602 H VAL 70 H VAL 70 7.539 12.316 -3.950 603 HA VAL 70 HA VAL 70 9.047 14.648 -3.818 604 HB VAL 70 HB VAL 70 10.085 11.813 -4.066 605 1HG1 VAL 70 1HG1 VAL 70 11.378 14.404 -3.192 606 2HG1 VAL 70 2HG1 VAL 70 11.932 13.283 -4.435 607 3HG1 VAL 70 3HG1 VAL 70 12.020 12.826 -2.734 608 1HG2 VAL 70 1HG2 VAL 70 8.469 12.198 -2.214 609 2HG2 VAL 70 2HG2 VAL 70 9.476 13.525 -1.635 610 3HG2 VAL 70 3HG2 VAL 70 10.094 11.873 -1.610 611 H ALA 71 H ALA 71 8.377 12.803 -6.610 612 HA ALA 71 HA ALA 71 10.766 13.680 -8.088 613 1HB ALA 71 1HB ALA 71 8.240 12.293 -9.044 614 2HB ALA 71 2HB ALA 71 9.742 11.487 -8.586 615 3HB ALA 71 3HB ALA 71 9.702 12.539 -10.002 616 H GLU 72 H GLU 72 9.458 14.263 -10.577 617 HA GLU 72 HA GLU 72 8.929 17.074 -10.198 618 1HB GLU 72 2HB GLU 72 8.458 17.094 -12.607 619 2HB GLU 72 1HB GLU 72 9.906 16.141 -12.284 620 1HG GLU 72 2HG GLU 72 8.359 14.097 -12.208 621 2HG GLU 72 1HG GLU 72 7.124 15.142 -12.914 622 H GLU 73 H GLU 73 6.869 18.145 -10.841 623 HA GLU 73 HA GLU 73 4.610 16.949 -9.504 624 1HB GLU 73 2HB GLU 73 5.065 19.440 -9.797 625 2HB GLU 73 1HB GLU 73 4.512 19.256 -11.461 626 1HG GLU 73 2HG GLU 73 2.380 18.245 -10.536 627 2HG GLU 73 1HG GLU 73 2.930 18.733 -8.933 628 H ARG 74 H ARG 74 4.239 14.937 -10.586 629 HA ARG 74 HA ARG 74 3.616 14.972 -13.465 630 1HB ARG 74 2HB ARG 74 4.780 13.066 -12.090 631 2HB ARG 74 1HB ARG 74 3.133 12.619 -11.647 632 1HG ARG 74 2HG ARG 74 2.570 12.606 -14.113 633 2HG ARG 74 1HG ARG 74 4.292 12.805 -14.440 634 1HD ARG 74 2HD ARG 74 4.753 10.731 -13.148 635 2HD ARG 74 1HD ARG 74 3.019 10.517 -12.910 636 HE ARG 74 HE ARG 74 3.797 10.768 -15.719 637 1HH1 ARG 74 1HH2 ARG 74 3.336 8.719 -12.985 638 2HH1 ARG 74 2HH2 ARG 74 3.084 7.290 -13.931 639 1HH2 ARG 74 1HH1 ARG 74 3.471 8.914 -16.971 640 2HH2 ARG 74 2HH1 ARG 74 3.161 7.400 -16.187 641 H LYS 75 H LYS 75 1.943 16.306 -11.207 642 HA LYS 75 HA LYS 75 -0.340 16.585 -10.709 643 1HB LYS 75 2HB LYS 75 -0.605 15.491 -13.527 644 2HB LYS 75 1HB LYS 75 -1.834 16.405 -12.652 645 1HG LYS 75 2HG LYS 75 -0.377 18.356 -12.553 646 2HG LYS 75 1HG LYS 75 0.936 17.450 -13.307 647 1HD LYS 75 2HD LYS 75 -0.224 17.291 -15.380 648 2HD LYS 75 1HD LYS 75 -1.747 17.807 -14.653 649 1HE LYS 75 2HE LYS 75 -0.972 20.045 -14.374 650 2HE LYS 75 1HE LYS 75 0.699 19.583 -14.696 651 1HZ LYS 75 1HZ LYS 75 0.131 20.371 -16.729 652 2HZ LYS 75 2HZ LYS 75 -1.514 19.986 -16.559 653 3HZ LYS 75 3HZ LYS 75 -0.388 18.771 -16.937 654 H ARG 76 H ARG 76 -2.576 15.073 -11.537 655 HA ARG 76 HA ARG 76 -2.783 13.052 -9.662 656 1HB ARG 76 2HB ARG 76 -4.543 12.044 -11.105 657 2HB ARG 76 1HB ARG 76 -4.702 13.796 -10.980 658 1HG ARG 76 2HG ARG 76 -3.069 13.611 -13.158 659 2HG ARG 76 1HG ARG 76 -4.000 12.124 -13.332 660 1HD ARG 76 2HD ARG 76 -5.116 13.974 -14.505 661 2HD ARG 76 1HD ARG 76 -6.098 13.428 -13.146 662 HE ARG 76 HE ARG 76 -4.313 15.641 -12.472 663 1HH1 ARG 76 1HH2 ARG 76 -7.352 14.639 -13.755 664 2HH1 ARG 76 2HH2 ARG 76 -8.156 16.122 -13.363 665 1HH2 ARG 76 1HH1 ARG 76 -5.346 17.584 -11.953 666 2HH2 ARG 76 2HH1 ARG 76 -7.021 17.789 -12.342 667 H ILE 77 H ILE 77 -1.681 11.188 -9.353 668 HA ILE 77 HA ILE 77 0.102 10.172 -11.433 669 HB ILE 77 HB ILE 77 -0.563 9.090 -8.677 670 1HG1 ILE 77 2HG1 ILE 77 1.940 10.527 -9.587 671 2HG1 ILE 77 1HG1 ILE 77 0.558 11.398 -8.923 672 1HG2 ILE 77 1HG2 ILE 77 0.304 7.282 -9.956 673 2HG2 ILE 77 2HG2 ILE 77 1.680 7.917 -9.055 674 3HG2 ILE 77 3HG2 ILE 77 1.483 8.317 -10.761 675 1HD1 ILE 77 1HD1 ILE 77 1.986 9.127 -7.515 676 2HD1 ILE 77 2HD1 ILE 77 0.690 10.121 -6.852 677 3HD1 ILE 77 3HD1 ILE 77 2.267 10.837 -7.191 678 H THR 78 H THR 78 -0.583 8.810 -12.997 679 HA THR 78 HA THR 78 -3.091 7.283 -12.608 680 HB THR 78 HB THR 78 -1.367 7.279 -15.087 681 HG1 THR 78 1HG THR 78 -1.823 9.299 -15.314 682 1HG2 THR 78 1HG2 THR 78 -3.517 6.865 -16.187 683 2HG2 THR 78 2HG2 THR 78 -4.354 7.020 -14.645 684 3HG2 THR 78 3HG2 THR 78 -3.249 5.673 -14.916 685 H VAL 79 H VAL 79 -3.085 5.141 -12.138 686 HA VAL 79 HA VAL 79 -0.464 3.696 -12.250 687 HB VAL 79 HB VAL 79 -2.915 3.044 -10.588 688 1HG1 VAL 79 1HG1 VAL 79 -1.615 1.069 -10.938 689 2HG1 VAL 79 2HG1 VAL 79 -1.156 1.668 -9.345 690 3HG1 VAL 79 3HG1 VAL 79 -0.099 1.945 -10.729 691 1HG2 VAL 79 1HG2 VAL 79 -2.118 5.042 -9.640 692 2HG2 VAL 79 2HG2 VAL 79 -0.440 4.675 -10.038 693 3HG2 VAL 79 3HG2 VAL 79 -1.243 3.814 -8.726 694 H THR 80 H THR 80 -0.314 1.947 -13.581 695 HA THR 80 HA THR 80 -2.850 0.800 -14.692 696 HB THR 80 HB THR 80 -1.719 0.562 -16.864 697 HG1 THR 80 1HG THR 80 0.327 1.372 -17.140 698 1HG2 THR 80 1HG2 THR 80 -1.773 2.870 -17.515 699 2HG2 THR 80 2HG2 THR 80 -1.395 3.403 -15.877 700 3HG2 THR 80 3HG2 THR 80 -2.964 2.679 -16.229 701 H GLU 81 H GLU 81 -1.308 -1.108 -16.297 702 HA GLU 81 HA GLU 81 -0.841 -3.091 -14.198 703 1HB GLU 81 2HB GLU 81 -0.404 -4.625 -16.101 704 2HB GLU 81 1HB GLU 81 -1.926 -3.754 -16.299 705 1HG GLU 81 2HG GLU 81 -0.708 -2.071 -17.710 706 2HG GLU 81 1HG GLU 81 0.722 -3.101 -17.619 707 H LYS 82 H LYS 82 1.119 -1.170 -16.426 708 HA LYS 82 HA LYS 82 3.595 -2.562 -15.752 709 1HB LYS 82 2HB LYS 82 3.373 0.203 -16.958 710 2HB LYS 82 1HB LYS 82 4.674 -0.971 -17.157 711 1HG LYS 82 2HG LYS 82 2.903 -2.505 -18.218 712 2HG LYS 82 1HG LYS 82 1.882 -1.069 -18.306 713 1HD LYS 82 2HD LYS 82 3.928 0.054 -19.447 714 2HD LYS 82 1HD LYS 82 4.509 -1.594 -19.690 715 1HE LYS 82 2HE LYS 82 3.292 -1.114 -21.661 716 2HE LYS 82 1HE LYS 82 2.176 -2.071 -20.688 717 1HZ LYS 82 1HZ LYS 82 2.198 0.867 -20.472 718 2HZ LYS 82 2HZ LYS 82 0.944 -0.223 -20.122 719 3HZ LYS 82 3HZ LYS 82 1.355 0.112 -21.735 720 H ASN 83 H ASN 83 2.291 0.692 -15.014 721 HA ASN 83 HA ASN 83 4.283 1.622 -13.307 722 1HB ASN 83 2HB ASN 83 1.367 1.951 -12.599 723 2HB ASN 83 1HB ASN 83 2.684 3.109 -12.404 724 1HD2 ASN 83 1HD2 ASN 83 3.699 2.351 -15.204 725 2HD2 ASN 83 2HD2 ASN 83 2.661 3.180 -16.260 726 H LEU 84 H LEU 84 1.673 -0.664 -12.552 727 HA LEU 84 HA LEU 84 1.767 -0.914 -9.830 728 1HB LEU 84 2HB LEU 84 0.375 -2.337 -11.233 729 2HB LEU 84 1HB LEU 84 1.794 -3.139 -11.890 730 HG LEU 84 HG LEU 84 0.513 -4.374 -10.060 731 1HD1 LEU 84 1HD1 LEU 84 3.256 -4.098 -8.993 732 2HD1 LEU 84 2HD1 LEU 84 3.167 -4.426 -10.722 733 3HD1 LEU 84 3HD1 LEU 84 2.409 -5.527 -9.577 734 1HD2 LEU 84 1HD2 LEU 84 0.308 -2.225 -8.668 735 2HD2 LEU 84 2HD2 LEU 84 1.984 -2.512 -8.197 736 3HD2 LEU 84 3HD2 LEU 84 0.742 -3.696 -7.799 737 H GLN 85 H GLN 85 4.082 -2.512 -12.051 738 HA GLN 85 HA GLN 85 5.728 -3.627 -10.010 739 1HB GLN 85 2HB GLN 85 6.572 -2.680 -12.765 740 2HB GLN 85 1HB GLN 85 7.437 -3.836 -11.751 741 1HG GLN 85 2HG GLN 85 5.694 -5.457 -11.942 742 2HG GLN 85 1HG GLN 85 4.579 -4.278 -12.635 743 1HE2 GLN 85 1HE2 GLN 85 5.736 -6.889 -13.777 744 2HE2 GLN 85 2HE2 GLN 85 6.382 -6.432 -15.278 745 H ASP 86 H ASP 86 5.805 -0.469 -11.626 746 HA ASP 86 HA ASP 86 8.250 0.481 -10.554 747 1HB ASP 86 2HB ASP 86 6.735 1.573 -12.321 748 2HB ASP 86 1HB ASP 86 5.819 2.226 -10.962 749 H PHE 87 H PHE 87 4.969 0.516 -9.157 750 HA PHE 87 HA PHE 87 5.885 1.950 -6.770 751 1HB PHE 87 2HB PHE 87 3.287 0.497 -7.354 752 2HB PHE 87 1HB PHE 87 3.594 1.478 -5.923 753 HD1 PHE 87 1HD PHE 87 2.219 1.525 -9.155 754 HD2 PHE 87 2HD PHE 87 4.578 3.916 -6.476 755 HE1 PHE 87 1HE PHE 87 1.570 3.564 -10.401 756 HE2 PHE 87 2HE PHE 87 3.930 5.954 -7.725 757 HZ PHE 87 HZ PHE 87 2.425 5.780 -9.689 758 H ILE 88 H ILE 88 4.342 -1.247 -7.160 759 HA ILE 88 HA ILE 88 5.469 -2.199 -4.662 760 HB ILE 88 HB ILE 88 3.665 -3.219 -6.763 761 1HG1 ILE 88 2HG1 ILE 88 3.606 -3.833 -3.816 762 2HG1 ILE 88 1HG1 ILE 88 3.126 -2.243 -4.412 763 1HG2 ILE 88 1HG2 ILE 88 3.874 -5.562 -5.739 764 2HG2 ILE 88 2HG2 ILE 88 5.444 -5.030 -5.138 765 3HG2 ILE 88 3HG2 ILE 88 5.132 -5.076 -6.874 766 1HD1 ILE 88 1HD1 ILE 88 1.966 -4.700 -5.695 767 2HD1 ILE 88 2HD1 ILE 88 1.281 -3.081 -5.565 768 3HD1 ILE 88 3HD1 ILE 88 1.316 -4.138 -4.154 769 H GLY 89 H GLY 89 5.908 -3.318 -8.042 770 1HA GLY 89 2HA GLY 89 7.824 -4.169 -9.100 771 2HA GLY 89 1HA GLY 89 8.777 -3.422 -7.817 772 H LYS 90 H LYS 90 7.685 -4.755 -5.586 773 HA LYS 90 HA LYS 90 8.864 -7.451 -5.990 774 1HB LYS 90 2HB LYS 90 9.578 -5.917 -4.090 775 2HB LYS 90 1HB LYS 90 7.979 -6.173 -3.390 776 1HG LYS 90 2HG LYS 90 8.506 -8.704 -3.644 777 2HG LYS 90 1HG LYS 90 10.183 -8.186 -3.831 778 1HD LYS 90 2HD LYS 90 9.831 -6.840 -1.666 779 2HD LYS 90 1HD LYS 90 8.363 -7.794 -1.451 780 1HE LYS 90 2HE LYS 90 10.041 -8.988 -0.265 781 2HE LYS 90 1HE LYS 90 9.855 -9.862 -1.786 782 1HZ LYS 90 1HZ LYS 90 11.934 -7.828 -1.183 783 2HZ LYS 90 2HZ LYS 90 11.742 -8.625 -2.672 784 3HZ LYS 90 3HZ LYS 90 12.178 -9.503 -1.284 785 H ARG 91 H ARG 91 7.331 -8.880 -6.717 786 HA ARG 91 HA ARG 91 4.605 -8.782 -5.502 787 1HB ARG 91 2HB ARG 91 4.028 -10.364 -7.384 788 2HB ARG 91 1HB ARG 91 4.549 -8.766 -7.914 789 1HG ARG 91 2HG ARG 91 6.711 -10.784 -7.585 790 2HG ARG 91 1HG ARG 91 5.587 -11.073 -8.910 791 1HD ARG 91 2HD ARG 91 5.992 -8.786 -9.754 792 2HD ARG 91 1HD ARG 91 7.129 -8.504 -8.436 793 HE ARG 91 HE ARG 91 7.950 -10.849 -9.821 794 1HH1 ARG 91 1HH2 ARG 91 7.585 -7.446 -10.238 795 2HH1 ARG 91 2HH2 ARG 91 8.873 -7.315 -11.388 796 1HH2 ARG 91 1HH1 ARG 91 9.635 -10.697 -11.322 797 2HH2 ARG 91 2HH1 ARG 91 10.034 -9.154 -12.002 798 H ILE 92 H ILE 92 3.958 -11.513 -6.051 799 HA ILE 92 HA ILE 92 5.907 -13.070 -4.431 800 HB ILE 92 HB ILE 92 2.945 -13.035 -3.804 801 1HG1 ILE 92 2HG1 ILE 92 5.238 -11.576 -2.452 802 2HG1 ILE 92 1HG1 ILE 92 3.873 -10.832 -3.285 803 1HG2 ILE 92 1HG2 ILE 92 5.301 -14.019 -2.173 804 2HG2 ILE 92 2HG2 ILE 92 4.360 -15.062 -3.239 805 3HG2 ILE 92 3HG2 ILE 92 3.588 -14.291 -1.854 806 1HD1 ILE 92 1HD1 ILE 92 3.367 -10.764 -0.938 807 2HD1 ILE 92 2HD1 ILE 92 3.806 -12.459 -0.734 808 3HD1 ILE 92 3HD1 ILE 92 2.356 -12.027 -1.639 809 H PHE 93 H PHE 93 2.812 -13.171 -6.216 810 HA PHE 93 HA PHE 93 3.110 -16.018 -6.792 811 1HB PHE 93 2HB PHE 93 1.220 -13.904 -7.863 812 2HB PHE 93 1HB PHE 93 1.134 -15.610 -8.302 813 HD1 PHE 93 1HD PHE 93 -0.017 -17.138 -6.926 814 HD2 PHE 93 2HD PHE 93 1.139 -13.313 -5.348 815 HE1 PHE 93 1HE PHE 93 -1.302 -17.603 -4.857 816 HE2 PHE 93 2HE PHE 93 -0.146 -13.780 -3.278 817 HZ PHE 93 HZ PHE 93 -1.367 -15.924 -3.033 818 H ARG 94 H ARG 94 5.424 -15.363 -7.665 819 HA ARG 94 HA ARG 94 5.576 -14.159 -10.284 820 1HB ARG 94 2HB ARG 94 7.514 -14.320 -8.722 821 2HB ARG 94 1HB ARG 94 7.525 -16.069 -8.955 822 1HG ARG 94 2HG ARG 94 8.095 -15.862 -11.258 823 2HG ARG 94 1HG ARG 94 7.720 -14.139 -11.273 824 1HD ARG 94 2HD ARG 94 10.144 -14.443 -11.201 825 2HD ARG 94 1HD ARG 94 9.592 -13.748 -9.676 826 HE ARG 94 HE ARG 94 9.584 -16.516 -9.271 827 1HH1 ARG 94 1HH2 ARG 94 11.812 -14.055 -10.204 828 2HH1 ARG 94 2HH2 ARG 94 13.185 -14.852 -9.511 829 1HH2 ARG 94 1HH1 ARG 94 11.362 -17.570 -8.362 830 2HH2 ARG 94 2HH1 ARG 94 12.931 -16.842 -8.469 831 H TYR 95 H TYR 95 4.031 -15.249 -11.601 832 HA TYR 95 HA TYR 95 4.983 -17.850 -12.642 833 1HB TYR 95 2HB TYR 95 2.513 -17.469 -11.046 834 2HB TYR 95 1HB TYR 95 2.292 -18.363 -12.549 835 HD1 TYR 95 1HD TYR 95 3.218 -18.638 -9.144 836 HD2 TYR 95 2HD TYR 95 4.127 -20.211 -13.037 837 HE1 TYR 95 1HE TYR 95 4.198 -20.662 -8.099 838 HE2 TYR 95 2HE TYR 95 5.107 -22.234 -11.991 839 HH TYR 95 HH TYR 95 4.606 -23.405 -9.435 Start of MODEL 10 1 H ALA 1 H ALA 1 -16.958 -9.790 7.348 2 HA ALA 1 HA ALA 1 -16.622 -11.622 8.792 3 1HB ALA 1 1HB ALA 1 -17.938 -10.610 10.514 4 2HB ALA 1 2HB ALA 1 -18.578 -12.241 10.316 5 3HB ALA 1 3HB ALA 1 -19.434 -10.866 9.616 6 H GLY 2 H GLY 2 -17.671 -11.780 6.024 7 1HA GLY 2 2HA GLY 2 -17.941 -14.501 5.645 8 2HA GLY 2 1HA GLY 2 -19.592 -13.972 5.972 9 H TYR 3 H TYR 3 -16.993 -12.294 4.203 10 HA TYR 3 HA TYR 3 -18.867 -11.684 2.032 11 1HB TYR 3 2HB TYR 3 -17.034 -10.387 1.094 12 2HB TYR 3 1HB TYR 3 -17.130 -10.058 2.823 13 HD1 TYR 3 1HD TYR 3 -15.348 -12.115 0.269 14 HD2 TYR 3 2HD TYR 3 -15.304 -10.530 4.261 15 HE1 TYR 3 1HE TYR 3 -13.011 -12.886 0.549 16 HE2 TYR 3 2HE TYR 3 -12.963 -11.295 4.538 17 HH TYR 3 HH TYR 3 -11.091 -12.492 1.868 18 H THR 4 H THR 4 -18.331 -12.217 -0.241 19 HA THR 4 HA THR 4 -16.743 -14.738 -0.519 20 HB THR 4 HB THR 4 -18.465 -15.523 -2.147 21 HG1 THR 4 1HG THR 4 -20.298 -14.382 -2.413 22 1HG2 THR 4 1HG2 THR 4 -18.477 -16.034 0.381 23 2HG2 THR 4 2HG2 THR 4 -19.973 -16.324 -0.507 24 3HG2 THR 4 3HG2 THR 4 -19.801 -14.873 0.479 25 H GLU 5 H GLU 5 -16.579 -15.128 -3.095 26 HA GLU 5 HA GLU 5 -14.863 -13.188 -4.148 27 1HB GLU 5 2HB GLU 5 -16.714 -14.972 -5.759 28 2HB GLU 5 1HB GLU 5 -15.211 -14.240 -6.324 29 1HG GLU 5 2HG GLU 5 -13.898 -15.560 -4.811 30 2HG GLU 5 1HG GLU 5 -15.334 -16.121 -3.956 31 H ILE 6 H ILE 6 -18.370 -13.525 -4.759 32 HA ILE 6 HA ILE 6 -18.663 -11.342 -6.526 33 HB ILE 6 HB ILE 6 -20.550 -12.487 -4.449 34 1HG1 ILE 6 2HG1 ILE 6 -21.666 -13.357 -6.532 35 2HG1 ILE 6 1HG1 ILE 6 -20.318 -12.713 -7.468 36 1HG2 ILE 6 1HG2 ILE 6 -22.305 -11.240 -5.853 37 2HG2 ILE 6 2HG2 ILE 6 -20.962 -10.282 -6.476 38 3HG2 ILE 6 3HG2 ILE 6 -21.335 -10.261 -4.753 39 1HD1 ILE 6 1HD1 ILE 6 -19.784 -14.551 -5.144 40 2HD1 ILE 6 2HD1 ILE 6 -18.792 -14.245 -6.570 41 3HD1 ILE 6 3HD1 ILE 6 -20.255 -15.218 -6.707 42 H GLU 7 H GLU 7 -19.139 -11.319 -2.969 43 HA GLU 7 HA GLU 7 -19.576 -8.592 -2.595 44 1HB GLU 7 2HB GLU 7 -18.110 -10.639 -0.941 45 2HB GLU 7 1HB GLU 7 -18.209 -8.963 -0.402 46 1HG GLU 7 2HG GLU 7 -20.059 -10.268 0.552 47 2HG GLU 7 1HG GLU 7 -20.680 -9.066 -0.579 48 H LYS 8 H LYS 8 -16.332 -10.077 -2.230 49 HA LYS 8 HA LYS 8 -14.760 -7.824 -2.178 50 1HB LYS 8 2HB LYS 8 -14.211 -10.335 -3.783 51 2HB LYS 8 1HB LYS 8 -12.999 -9.142 -3.318 52 1HG LYS 8 2HG LYS 8 -14.121 -9.633 -0.889 53 2HG LYS 8 1HG LYS 8 -14.364 -11.200 -1.659 54 1HD LYS 8 2HD LYS 8 -11.702 -9.758 -1.573 55 2HD LYS 8 1HD LYS 8 -12.186 -11.004 -0.425 56 1HE LYS 8 2HE LYS 8 -12.440 -12.625 -2.242 57 2HE LYS 8 1HE LYS 8 -12.042 -11.383 -3.429 58 1HZ LYS 8 1HZ LYS 8 -9.864 -11.168 -2.483 59 2HZ LYS 8 2HZ LYS 8 -10.141 -12.805 -2.845 60 3HZ LYS 8 3HZ LYS 8 -10.239 -12.259 -1.240 61 H LEU 9 H LEU 9 -16.233 -9.244 -5.088 62 HA LEU 9 HA LEU 9 -14.924 -7.543 -6.962 63 1HB LEU 9 2HB LEU 9 -16.318 -9.637 -7.438 64 2HB LEU 9 1HB LEU 9 -17.736 -8.604 -7.276 65 HG LEU 9 HG LEU 9 -16.528 -7.061 -8.998 66 1HD1 LEU 9 1HD1 LEU 9 -15.130 -8.457 -10.595 67 2HD1 LEU 9 2HD1 LEU 9 -15.056 -9.689 -9.337 68 3HD1 LEU 9 3HD1 LEU 9 -14.356 -8.096 -9.053 69 1HD2 LEU 9 1HD2 LEU 9 -17.434 -8.481 -10.881 70 2HD2 LEU 9 2HD2 LEU 9 -18.571 -8.232 -9.555 71 3HD2 LEU 9 3HD2 LEU 9 -17.709 -9.764 -9.702 72 H GLU 10 H GLU 10 -18.304 -7.224 -5.776 73 HA GLU 10 HA GLU 10 -18.800 -4.705 -6.904 74 1HB GLU 10 2HB GLU 10 -20.395 -4.403 -4.887 75 2HB GLU 10 1HB GLU 10 -20.672 -5.770 -5.965 76 1HG GLU 10 2HG GLU 10 -19.449 -7.247 -4.429 77 2HG GLU 10 1HG GLU 10 -19.141 -5.884 -3.352 78 H ILE 11 H ILE 11 -17.452 -5.326 -3.621 79 HA ILE 11 HA ILE 11 -17.161 -2.491 -3.098 80 HB ILE 11 HB ILE 11 -15.454 -3.487 -1.314 81 1HG1 ILE 11 2HG1 ILE 11 -17.204 -5.903 -1.612 82 2HG1 ILE 11 1HG1 ILE 11 -15.791 -5.777 -2.660 83 1HG2 ILE 11 1HG2 ILE 11 -17.519 -2.461 -0.657 84 2HG2 ILE 11 2HG2 ILE 11 -17.479 -4.047 0.113 85 3HG2 ILE 11 3HG2 ILE 11 -18.466 -3.791 -1.326 86 1HD1 ILE 11 1HD1 ILE 11 -15.614 -6.895 -0.249 87 2HD1 ILE 11 2HD1 ILE 11 -15.426 -5.218 0.260 88 3HD1 ILE 11 3HD1 ILE 11 -14.296 -5.920 -0.898 89 H VAL 12 H VAL 12 -14.596 -4.961 -3.620 90 HA VAL 12 HA VAL 12 -12.381 -3.361 -3.818 91 HB VAL 12 HB VAL 12 -13.118 -5.600 -5.722 92 1HG1 VAL 12 1HG1 VAL 12 -10.566 -5.743 -5.917 93 2HG1 VAL 12 2HG1 VAL 12 -10.530 -4.125 -5.215 94 3HG1 VAL 12 3HG1 VAL 12 -11.341 -4.399 -6.756 95 1HG2 VAL 12 1HG2 VAL 12 -12.916 -5.906 -3.107 96 2HG2 VAL 12 2HG2 VAL 12 -11.186 -5.776 -3.419 97 3HG2 VAL 12 3HG2 VAL 12 -12.125 -7.060 -4.182 98 H LYS 13 H LYS 13 -14.890 -3.641 -6.317 99 HA LYS 13 HA LYS 13 -13.405 -1.874 -8.097 100 1HB LYS 13 2HB LYS 13 -16.169 -3.083 -8.194 101 2HB LYS 13 1HB LYS 13 -15.618 -1.925 -9.404 102 1HG LYS 13 2HG LYS 13 -13.882 -4.289 -8.750 103 2HG LYS 13 1HG LYS 13 -15.277 -4.517 -9.803 104 1HD LYS 13 2HD LYS 13 -13.411 -2.229 -10.360 105 2HD LYS 13 1HD LYS 13 -12.922 -3.857 -10.825 106 1HE LYS 13 2HE LYS 13 -15.552 -2.572 -11.616 107 2HE LYS 13 1HE LYS 13 -14.125 -2.643 -12.650 108 1HZ LYS 13 1HZ LYS 13 -14.613 -4.714 -13.208 109 2HZ LYS 13 2HZ LYS 13 -16.078 -4.574 -12.358 110 3HZ LYS 13 3HZ LYS 13 -14.699 -5.199 -11.584 111 H ASP 14 H ASP 14 -16.187 -1.513 -5.913 112 HA ASP 14 HA ASP 14 -16.624 1.253 -6.745 113 1HB ASP 14 2HB ASP 14 -18.442 -0.260 -5.920 114 2HB ASP 14 1HB ASP 14 -17.719 -0.175 -4.313 115 H HIS 15 H HIS 15 -15.507 -0.218 -3.672 116 HA HIS 15 HA HIS 15 -15.014 2.166 -2.286 117 1HB HIS 15 2HB HIS 15 -13.954 0.870 -0.694 118 2HB HIS 15 1HB HIS 15 -14.860 -0.365 -1.565 119 HD1 HIS 15 1HD HIS 15 -11.703 -0.059 -0.180 120 HD2 HIS 15 2HD HIS 15 -12.942 -1.100 -4.026 121 HE1 HIS 15 1HE HIS 15 -9.773 -1.311 -1.243 122 HE2 HIS 15 2HE HIS 15 -10.519 -1.955 -3.579 123 H LEU 16 H LEU 16 -12.767 0.481 -4.510 124 HA LEU 16 HA LEU 16 -10.389 1.732 -4.002 125 1HB LEU 16 2HB LEU 16 -10.006 1.849 -6.530 126 2HB LEU 16 1HB LEU 16 -10.406 0.274 -5.858 127 HG LEU 16 HG LEU 16 -12.845 0.811 -6.446 128 1HD1 LEU 16 1HD1 LEU 16 -11.524 3.240 -7.410 129 2HD1 LEU 16 2HD1 LEU 16 -13.243 2.909 -7.203 130 3HD1 LEU 16 3HD1 LEU 16 -12.430 2.435 -8.688 131 1HD2 LEU 16 1HD2 LEU 16 -11.420 -0.782 -7.697 132 2HD2 LEU 16 2HD2 LEU 16 -10.816 0.546 -8.684 133 3HD2 LEU 16 3HD2 LEU 16 -12.512 0.083 -8.778 134 H LEU 17 H LEU 17 -13.163 3.335 -5.529 135 HA LEU 17 HA LEU 17 -11.730 5.721 -6.207 136 1HB LEU 17 2HB LEU 17 -14.567 4.884 -6.100 137 2HB LEU 17 1HB LEU 17 -14.291 6.619 -5.927 138 HG LEU 17 HG LEU 17 -12.894 5.080 -8.108 139 1HD1 LEU 17 1HD1 LEU 17 -14.785 5.623 -9.614 140 2HD1 LEU 17 2HD1 LEU 17 -15.702 6.225 -8.231 141 3HD1 LEU 17 3HD1 LEU 17 -15.277 4.516 -8.331 142 1HD2 LEU 17 1HD2 LEU 17 -12.449 7.548 -7.403 143 2HD2 LEU 17 2HD2 LEU 17 -13.997 7.890 -8.173 144 3HD2 LEU 17 3HD2 LEU 17 -12.674 7.205 -9.117 145 HA PRO 18 HA PRO 18 -13.436 7.871 -2.264 146 1HB PRO 18 2HB PRO 18 -14.710 6.287 -0.394 147 2HB PRO 18 1HB PRO 18 -15.549 7.188 -1.672 148 1HG PRO 18 2HG PRO 18 -14.755 4.314 -1.596 149 2HG PRO 18 1HG PRO 18 -16.271 5.049 -2.154 150 1HD PRO 18 2HD PRO 18 -14.387 4.250 -3.909 151 2HD PRO 18 1HD PRO 18 -15.358 5.713 -4.193 152 H LYS 19 H LYS 19 -12.591 4.473 -1.506 153 HA LYS 19 HA LYS 19 -11.267 4.849 0.916 154 1HB LYS 19 2HB LYS 19 -11.599 2.635 -0.097 155 2HB LYS 19 1HB LYS 19 -10.431 3.025 -1.359 156 1HG LYS 19 2HG LYS 19 -9.401 1.661 0.426 157 2HG LYS 19 1HG LYS 19 -8.657 3.256 0.333 158 1HD LYS 19 2HD LYS 19 -9.652 3.986 2.314 159 2HD LYS 19 1HD LYS 19 -10.981 2.833 2.191 160 1HE LYS 19 2HE LYS 19 -9.404 2.183 3.978 161 2HE LYS 19 1HE LYS 19 -9.429 0.983 2.686 162 1HZ LYS 19 1HZ LYS 19 -7.515 2.575 1.798 163 2HZ LYS 19 2HZ LYS 19 -7.210 1.261 2.831 164 3HZ LYS 19 3HZ LYS 19 -7.322 2.834 3.463 165 H GLN 20 H GLN 20 -9.250 4.347 -1.955 166 HA GLN 20 HA GLN 20 -6.942 5.582 -0.998 167 1HB GLN 20 2HB GLN 20 -7.885 5.728 -3.872 168 2HB GLN 20 1HB GLN 20 -6.220 5.775 -3.294 169 1HG GLN 20 2HG GLN 20 -6.150 3.506 -2.859 170 2HG GLN 20 1HG GLN 20 -7.873 3.408 -2.510 171 1HE2 GLN 20 1HE2 GLN 20 -6.510 1.594 -4.323 172 2HE2 GLN 20 2HE2 GLN 20 -7.149 1.846 -5.875 173 H ILE 21 H ILE 21 -9.459 7.166 -2.998 174 HA ILE 21 HA ILE 21 -8.379 9.723 -3.132 175 HB ILE 21 HB ILE 21 -11.240 8.808 -2.873 176 1HG1 ILE 21 2HG1 ILE 21 -9.997 8.314 -4.967 177 2HG1 ILE 21 1HG1 ILE 21 -11.316 9.447 -5.247 178 1HG2 ILE 21 1HG2 ILE 21 -11.390 10.984 -1.961 179 2HG2 ILE 21 2HG2 ILE 21 -11.762 11.205 -3.671 180 3HG2 ILE 21 3HG2 ILE 21 -10.161 11.619 -3.056 181 1HD1 ILE 21 1HD1 ILE 21 -9.284 11.188 -4.702 182 2HD1 ILE 21 2HD1 ILE 21 -9.695 10.645 -6.326 183 3HD1 ILE 21 3HD1 ILE 21 -8.388 9.865 -5.443 184 H LYS 22 H LYS 22 -10.099 8.304 -0.349 185 HA LYS 22 HA LYS 22 -10.261 10.738 1.141 186 1HB LYS 22 2HB LYS 22 -11.561 8.773 1.783 187 2HB LYS 22 1HB LYS 22 -10.080 7.876 2.115 188 1HG LYS 22 2HG LYS 22 -9.525 9.292 3.962 189 2HG LYS 22 1HG LYS 22 -10.768 10.464 3.522 190 1HD LYS 22 2HD LYS 22 -12.528 8.998 4.158 191 2HD LYS 22 1HD LYS 22 -11.450 7.604 4.219 192 1HE LYS 22 2HE LYS 22 -12.103 8.638 6.475 193 2HE LYS 22 1HE LYS 22 -10.380 8.385 6.196 194 1HZ LYS 22 1HZ LYS 22 -11.617 10.942 5.437 195 2HZ LYS 22 2HZ LYS 22 -10.009 10.611 5.872 196 3HZ LYS 22 3HZ LYS 22 -11.220 10.658 7.061 197 H GLU 23 H GLU 23 -8.205 8.089 2.283 198 HA GLU 23 HA GLU 23 -6.404 9.580 3.762 199 1HB GLU 23 2HB GLU 23 -5.938 7.109 2.079 200 2HB GLU 23 1HB GLU 23 -4.685 7.787 3.120 201 1HG GLU 23 2HG GLU 23 -7.448 7.134 4.158 202 2HG GLU 23 1HG GLU 23 -6.146 5.943 4.147 203 H HIS 24 H HIS 24 -6.386 9.060 0.275 204 HA HIS 24 HA HIS 24 -3.902 10.563 -0.108 205 1HB HIS 24 2HB HIS 24 -5.940 9.772 -2.206 206 2HB HIS 24 1HB HIS 24 -4.231 10.136 -2.452 207 HD1 HIS 24 1HD HIS 24 -5.475 7.976 0.389 208 HD2 HIS 24 2HD HIS 24 -3.501 7.517 -3.253 209 HE1 HIS 24 1HE HIS 24 -4.647 5.585 0.317 210 HE2 HIS 24 2HE HIS 24 -3.443 5.296 -1.894 211 H GLY 25 H GLY 25 -7.372 11.119 -0.482 212 1HA GLY 25 2HA GLY 25 -7.545 13.527 -1.798 213 2HA GLY 25 1HA GLY 25 -8.547 13.166 -0.393 214 H LEU 26 H LEU 26 -6.402 13.028 1.516 215 HA LEU 26 HA LEU 26 -6.286 15.529 2.619 216 1HB LEU 26 2HB LEU 26 -3.860 13.716 2.437 217 2HB LEU 26 1HB LEU 26 -4.159 14.941 3.668 218 HG LEU 26 HG LEU 26 -5.952 12.546 3.177 219 1HD1 LEU 26 1HD1 LEU 26 -3.668 11.949 4.026 220 2HD1 LEU 26 2HD1 LEU 26 -4.959 11.576 5.169 221 3HD1 LEU 26 3HD1 LEU 26 -3.953 13.006 5.409 222 1HD2 LEU 26 1HD2 LEU 26 -7.261 14.213 4.217 223 2HD2 LEU 26 2HD2 LEU 26 -5.907 14.806 5.178 224 3HD2 LEU 26 3HD2 LEU 26 -6.665 13.265 5.578 225 H LYS 27 H LYS 27 -4.224 14.411 -0.059 226 HA LYS 27 HA LYS 27 -3.166 17.192 -0.329 227 1HB LYS 27 2HB LYS 27 -2.118 14.492 -0.930 228 2HB LYS 27 1HB LYS 27 -1.840 15.667 -2.214 229 1HG LYS 27 2HG LYS 27 0.049 15.767 -0.716 230 2HG LYS 27 1HG LYS 27 -0.900 17.232 -0.466 231 1HD LYS 27 2HD LYS 27 -2.085 15.916 1.418 232 2HD LYS 27 1HD LYS 27 -0.744 14.778 1.286 233 1HE LYS 27 2HE LYS 27 -0.747 17.600 2.267 234 2HE LYS 27 1HE LYS 27 0.153 16.206 2.864 235 1HZ LYS 27 1HZ LYS 27 1.549 16.322 0.885 236 2HZ LYS 27 2HZ LYS 27 1.619 17.768 1.774 237 3HZ LYS 27 3HZ LYS 27 0.699 17.686 0.349 238 H LYS 28 H LYS 28 -2.962 17.887 -2.721 239 HA LYS 28 HA LYS 28 -5.451 18.180 -3.921 240 1HB LYS 28 2HB LYS 28 -3.631 19.495 -4.745 241 2HB LYS 28 1HB LYS 28 -2.699 18.061 -5.176 242 1HG LYS 28 2HG LYS 28 -4.114 17.547 -7.003 243 2HG LYS 28 1HG LYS 28 -5.393 18.613 -6.421 244 1HD LYS 28 2HD LYS 28 -4.065 20.578 -6.914 245 2HD LYS 28 1HD LYS 28 -2.664 19.584 -7.313 246 1HE LYS 28 2HE LYS 28 -4.063 18.523 -9.141 247 2HE LYS 28 1HE LYS 28 -5.281 19.758 -8.824 248 1HZ LYS 28 1HZ LYS 28 -3.060 19.988 -10.442 249 2HZ LYS 28 2HZ LYS 28 -2.712 20.926 -9.070 250 3HZ LYS 28 3HZ LYS 28 -4.117 21.229 -9.975 251 H SER 29 H SER 29 -6.473 17.112 -5.760 252 HA SER 29 HA SER 29 -6.799 14.359 -5.584 253 1HB SER 29 2HB SER 29 -7.466 14.487 -8.052 254 2HB SER 29 1HB SER 29 -8.316 15.580 -6.964 255 HG SER 29 HG SER 29 -6.736 17.180 -7.572 256 H ASN 30 H ASN 30 -4.831 13.261 -5.293 257 HA ASN 30 HA ASN 30 -2.968 13.261 -7.636 258 1HB ASN 30 2HB ASN 30 -2.157 14.003 -5.293 259 2HB ASN 30 1HB ASN 30 -2.277 12.297 -4.860 260 1HD2 ASN 30 1HD2 ASN 30 -1.014 14.153 -7.702 261 2HD2 ASN 30 2HD2 ASN 30 0.440 13.283 -7.800 262 H LEU 31 H LEU 31 -5.023 11.666 -8.174 263 HA LEU 31 HA LEU 31 -3.834 9.001 -8.056 264 1HB LEU 31 2HB LEU 31 -4.980 9.101 -5.876 265 2HB LEU 31 1HB LEU 31 -6.493 9.495 -6.687 266 HG LEU 31 HG LEU 31 -4.961 7.020 -7.470 267 1HD1 LEU 31 1HD1 LEU 31 -6.495 5.817 -5.808 268 2HD1 LEU 31 2HD1 LEU 31 -6.752 7.396 -5.067 269 3HD1 LEU 31 3HD1 LEU 31 -5.132 6.701 -5.122 270 1HD2 LEU 31 1HD2 LEU 31 -7.704 8.137 -7.838 271 2HD2 LEU 31 2HD2 LEU 31 -7.603 6.397 -7.584 272 3HD2 LEU 31 3HD2 LEU 31 -6.737 7.139 -8.924 273 H GLN 32 H GLN 32 -4.241 8.095 -9.999 274 HA GLN 32 HA GLN 32 -6.892 8.436 -11.263 275 1HB GLN 32 2HB GLN 32 -4.343 9.608 -12.292 276 2HB GLN 32 1HB GLN 32 -5.400 8.844 -13.477 277 1HG GLN 32 2HG GLN 32 -6.332 10.942 -11.498 278 2HG GLN 32 1HG GLN 32 -5.844 11.299 -13.155 279 1HE2 GLN 32 1HE2 GLN 32 -8.582 11.518 -11.874 280 2HE2 GLN 32 2HE2 GLN 32 -9.598 10.567 -12.848 281 H LEU 33 H LEU 33 -6.560 6.117 -10.365 282 HA LEU 33 HA LEU 33 -4.975 4.437 -12.240 283 1HB LEU 33 2HB LEU 33 -5.321 2.642 -10.585 284 2HB LEU 33 1HB LEU 33 -4.615 4.068 -9.830 285 HG LEU 33 HG LEU 33 -7.050 4.755 -9.288 286 1HD1 LEU 33 1HD1 LEU 33 -8.239 2.315 -8.899 287 2HD1 LEU 33 2HD1 LEU 33 -7.426 2.051 -10.440 288 3HD1 LEU 33 3HD1 LEU 33 -8.577 3.373 -10.265 289 1HD2 LEU 33 1HD2 LEU 33 -7.039 3.102 -7.302 290 2HD2 LEU 33 2HD2 LEU 33 -5.635 4.151 -7.487 291 3HD2 LEU 33 3HD2 LEU 33 -5.551 2.468 -8.005 292 H ARG 34 H ARG 34 -6.119 2.229 -12.643 293 HA ARG 34 HA ARG 34 -9.016 2.671 -13.238 294 1HB ARG 34 2HB ARG 34 -6.896 1.536 -15.088 295 2HB ARG 34 1HB ARG 34 -8.631 1.440 -15.399 296 1HG ARG 34 2HG ARG 34 -8.826 3.841 -15.477 297 2HG ARG 34 1HG ARG 34 -7.166 4.046 -14.915 298 1HD ARG 34 2HD ARG 34 -6.324 2.984 -16.967 299 2HD ARG 34 1HD ARG 34 -7.978 2.743 -17.530 300 HE ARG 34 HE ARG 34 -7.887 5.453 -17.105 301 1HH1 ARG 34 1HH2 ARG 34 -5.871 3.178 -18.732 302 2HH1 ARG 34 2HH2 ARG 34 -5.318 4.315 -19.915 303 1HH2 ARG 34 1HH1 ARG 34 -7.176 6.949 -18.639 304 2HH2 ARG 34 2HH1 ARG 34 -6.056 6.451 -19.863 305 H ASP 35 H ASP 35 -10.258 0.691 -13.306 306 HA ASP 35 HA ASP 35 -9.776 -1.178 -11.310 307 1HB ASP 35 2HB ASP 35 -11.084 -1.986 -13.910 308 2HB ASP 35 1HB ASP 35 -11.478 -2.517 -12.274 309 H GLN 36 H GLN 36 -8.781 -1.424 -14.727 310 HA GLN 36 HA GLN 36 -7.722 -3.989 -14.792 311 1HB GLN 36 2HB GLN 36 -7.725 -2.306 -16.679 312 2HB GLN 36 1HB GLN 36 -6.301 -1.572 -15.940 313 1HG GLN 36 2HG GLN 36 -5.469 -3.098 -17.581 314 2HG GLN 36 1HG GLN 36 -5.229 -3.889 -16.023 315 1HE2 GLN 36 1HE2 GLN 36 -6.949 -4.074 -19.067 316 2HE2 GLN 36 2HE2 GLN 36 -7.759 -5.531 -18.746 317 H ALA 37 H ALA 37 -6.197 -1.088 -13.400 318 HA ALA 37 HA ALA 37 -3.678 -2.261 -12.792 319 1HB ALA 37 1HB ALA 37 -4.401 0.209 -12.614 320 2HB ALA 37 2HB ALA 37 -3.315 -0.401 -11.366 321 3HB ALA 37 3HB ALA 37 -5.036 -0.222 -11.026 322 H ILE 38 H ILE 38 -6.088 -1.501 -10.273 323 HA ILE 38 HA ILE 38 -5.142 -3.190 -8.289 324 HB ILE 38 HB ILE 38 -8.019 -2.552 -9.003 325 1HG1 ILE 38 2HG1 ILE 38 -6.298 -1.437 -6.778 326 2HG1 ILE 38 1HG1 ILE 38 -6.350 -0.703 -8.381 327 1HG2 ILE 38 1HG2 ILE 38 -8.385 -3.124 -6.532 328 2HG2 ILE 38 2HG2 ILE 38 -6.813 -3.925 -6.592 329 3HG2 ILE 38 3HG2 ILE 38 -8.132 -4.491 -7.617 330 1HD1 ILE 38 1HD1 ILE 38 -8.829 -1.247 -6.732 331 2HD1 ILE 38 2HD1 ILE 38 -8.707 -0.275 -8.198 332 3HD1 ILE 38 3HD1 ILE 38 -7.968 0.292 -6.701 333 H LEU 39 H LEU 39 -7.441 -4.088 -10.880 334 HA LEU 39 HA LEU 39 -7.911 -6.751 -10.160 335 1HB LEU 39 2HB LEU 39 -7.762 -5.315 -12.787 336 2HB LEU 39 1HB LEU 39 -7.893 -7.073 -12.799 337 HG LEU 39 HG LEU 39 -9.762 -5.477 -11.064 338 1HD1 LEU 39 1HD1 LEU 39 -10.001 -4.362 -13.189 339 2HD1 LEU 39 2HD1 LEU 39 -11.359 -5.474 -13.026 340 3HD1 LEU 39 3HD1 LEU 39 -9.992 -5.897 -14.056 341 1HD2 LEU 39 1HD2 LEU 39 -10.058 -8.047 -12.657 342 2HD2 LEU 39 2HD2 LEU 39 -11.240 -7.388 -11.526 343 3HD2 LEU 39 3HD2 LEU 39 -9.682 -7.962 -10.936 344 H ASP 40 H ASP 40 -5.354 -5.652 -12.400 345 HA ASP 40 HA ASP 40 -4.026 -8.106 -12.708 346 1HB ASP 40 2HB ASP 40 -2.911 -5.291 -12.608 347 2HB ASP 40 1HB ASP 40 -1.955 -6.696 -13.080 348 H ILE 41 H ILE 41 -3.375 -5.599 -10.235 349 HA ILE 41 HA ILE 41 -1.291 -6.849 -8.866 350 HB ILE 41 HB ILE 41 -3.625 -5.273 -7.747 351 1HG1 ILE 41 2HG1 ILE 41 -2.220 -4.050 -9.351 352 2HG1 ILE 41 1HG1 ILE 41 -1.971 -3.428 -7.721 353 1HG2 ILE 41 1HG2 ILE 41 -1.036 -6.143 -6.438 354 2HG2 ILE 41 2HG2 ILE 41 -2.674 -6.525 -5.913 355 3HG2 ILE 41 3HG2 ILE 41 -2.075 -4.872 -5.799 356 1HD1 ILE 41 1HD1 ILE 41 -0.106 -4.960 -9.472 357 2HD1 ILE 41 2HD1 ILE 41 -0.030 -5.297 -7.744 358 3HD1 ILE 41 3HD1 ILE 41 0.235 -3.661 -8.333 359 H ILE 42 H ILE 42 -4.498 -6.994 -7.324 360 HA ILE 42 HA ILE 42 -4.054 -9.246 -5.778 361 HB ILE 42 HB ILE 42 -6.658 -9.666 -6.390 362 1HG1 ILE 42 2HG1 ILE 42 -6.360 -6.714 -6.916 363 2HG1 ILE 42 1HG1 ILE 42 -6.284 -7.863 -8.251 364 1HG2 ILE 42 1HG2 ILE 42 -5.869 -9.032 -4.186 365 2HG2 ILE 42 2HG2 ILE 42 -7.167 -7.932 -4.647 366 3HG2 ILE 42 3HG2 ILE 42 -5.488 -7.404 -4.747 367 1HD1 ILE 42 1HD1 ILE 42 -8.544 -7.962 -6.257 368 2HD1 ILE 42 2HD1 ILE 42 -8.494 -8.605 -7.898 369 3HD1 ILE 42 3HD1 ILE 42 -8.601 -6.864 -7.636 370 H ARG 43 H ARG 43 -5.205 -9.229 -9.157 371 HA ARG 43 HA ARG 43 -5.620 -11.973 -9.521 372 1HB ARG 43 2HB ARG 43 -6.025 -10.236 -11.260 373 2HB ARG 43 1HB ARG 43 -4.283 -10.093 -11.492 374 1HG ARG 43 2HG ARG 43 -4.181 -12.493 -12.108 375 2HG ARG 43 1HG ARG 43 -5.932 -12.604 -11.917 376 1HD ARG 43 2HD ARG 43 -6.097 -10.708 -13.624 377 2HD ARG 43 1HD ARG 43 -4.386 -10.981 -13.948 378 HE ARG 43 HE ARG 43 -4.950 -13.037 -15.008 379 1HH1 ARG 43 1HH2 ARG 43 -7.600 -11.600 -13.331 380 2HH1 ARG 43 2HH2 ARG 43 -8.783 -12.659 -14.022 381 1HH2 ARG 43 1HH1 ARG 43 -6.481 -14.427 -15.918 382 2HH2 ARG 43 2HH1 ARG 43 -8.150 -14.259 -15.486 383 H TYR 44 H TYR 44 -2.534 -10.188 -9.632 384 HA TYR 44 HA TYR 44 -1.007 -12.628 -10.168 385 1HB TYR 44 2HB TYR 44 -0.345 -9.739 -9.666 386 2HB TYR 44 1HB TYR 44 0.928 -10.952 -9.541 387 HD1 TYR 44 1HD TYR 44 2.225 -11.057 -11.470 388 HD2 TYR 44 2HD TYR 44 -2.009 -10.441 -11.834 389 HE1 TYR 44 1HE TYR 44 2.430 -11.100 -13.939 390 HE2 TYR 44 2HE TYR 44 -1.804 -10.484 -14.301 391 HH TYR 44 HH TYR 44 0.609 -9.921 -15.954 392 H TYR 45 H TYR 45 -1.661 -10.536 -7.377 393 HA TYR 45 HA TYR 45 0.013 -12.209 -5.631 394 1HB TYR 45 2HB TYR 45 -1.748 -9.802 -5.116 395 2HB TYR 45 1HB TYR 45 -0.853 -10.639 -3.847 396 HD1 TYR 45 1HD TYR 45 1.637 -10.731 -3.918 397 HD2 TYR 45 2HD TYR 45 -0.638 -8.390 -6.702 398 HE1 TYR 45 1HE TYR 45 3.684 -9.485 -4.542 399 HE2 TYR 45 2HE TYR 45 1.404 -7.141 -7.329 400 HH TYR 45 HH TYR 45 3.642 -7.074 -7.148 401 H THR 46 H THR 46 -3.349 -11.101 -5.179 402 HA THR 46 HA THR 46 -5.200 -12.209 -4.301 403 HB THR 46 HB THR 46 -4.127 -13.799 -6.347 404 HG1 THR 46 1HG THR 46 -6.296 -14.704 -6.226 405 1HG2 THR 46 1HG2 THR 46 -3.300 -15.343 -4.545 406 2HG2 THR 46 2HG2 THR 46 -4.459 -16.082 -5.643 407 3HG2 THR 46 3HG2 THR 46 -4.973 -15.564 -4.040 408 H ARG 47 H ARG 47 -2.065 -12.791 -3.284 409 HA ARG 47 HA ARG 47 -2.500 -14.839 -1.305 410 1HB ARG 47 2HB ARG 47 -0.364 -13.935 -0.320 411 2HB ARG 47 1HB ARG 47 -0.242 -14.347 -2.029 412 1HG ARG 47 2HG ARG 47 0.264 -12.216 -2.580 413 2HG ARG 47 1HG ARG 47 -1.142 -11.599 -1.711 414 1HD ARG 47 2HD ARG 47 0.117 -11.708 0.409 415 2HD ARG 47 1HD ARG 47 1.524 -12.324 -0.458 416 HE ARG 47 HE ARG 47 0.642 -9.830 -1.607 417 1HH1 ARG 47 1HH2 ARG 47 2.254 -11.274 1.079 418 2HH1 ARG 47 2HH2 ARG 47 3.232 -9.883 1.409 419 1HH2 ARG 47 1HH1 ARG 47 1.908 -8.006 -1.187 420 2HH2 ARG 47 2HH1 ARG 47 3.034 -8.033 0.128 421 H GLU 48 H GLU 48 -4.636 -13.827 -0.564 422 HA GLU 48 HA GLU 48 -4.075 -12.139 1.816 423 1HB GLU 48 2HB GLU 48 -6.005 -11.464 -0.412 424 2HB GLU 48 1HB GLU 48 -6.211 -10.822 1.219 425 1HG GLU 48 2HG GLU 48 -3.655 -10.537 -0.384 426 2HG GLU 48 1HG GLU 48 -4.918 -9.308 -0.330 427 H ALA 49 H ALA 49 -5.972 -12.146 3.323 428 HA ALA 49 HA ALA 49 -7.873 -14.391 2.900 429 1HB ALA 49 1HB ALA 49 -6.053 -15.454 4.097 430 2HB ALA 49 2HB ALA 49 -7.379 -15.206 5.234 431 3HB ALA 49 3HB ALA 49 -5.983 -14.128 5.258 432 H GLY 50 H GLY 50 -8.359 -11.607 2.822 433 1HA GLY 50 2HA GLY 50 -10.614 -11.282 4.427 434 2HA GLY 50 1HA GLY 50 -9.284 -10.624 5.382 435 H VAL 51 H VAL 51 -11.665 -9.552 3.527 436 HA VAL 51 HA VAL 51 -10.501 -7.967 1.492 437 HB VAL 51 HB VAL 51 -12.487 -6.491 1.765 438 1HG1 VAL 51 1HG1 VAL 51 -13.294 -9.392 2.041 439 2HG1 VAL 51 2HG1 VAL 51 -12.515 -8.767 0.587 440 3HG1 VAL 51 3HG1 VAL 51 -14.081 -8.131 1.092 441 1HG2 VAL 51 1HG2 VAL 51 -12.787 -6.427 4.132 442 2HG2 VAL 51 2HG2 VAL 51 -12.833 -8.186 4.247 443 3HG2 VAL 51 3HG2 VAL 51 -14.178 -7.315 3.511 444 H ARG 52 H ARG 52 -10.988 -7.237 4.948 445 HA ARG 52 HA ARG 52 -10.232 -4.576 5.069 446 1HB ARG 52 2HB ARG 52 -10.811 -5.971 7.051 447 2HB ARG 52 1HB ARG 52 -9.239 -6.756 6.930 448 1HG ARG 52 2HG ARG 52 -9.154 -4.970 8.607 449 2HG ARG 52 1HG ARG 52 -8.125 -4.562 7.236 450 1HD ARG 52 2HD ARG 52 -9.775 -2.757 8.208 451 2HD ARG 52 1HD ARG 52 -9.584 -2.909 6.463 452 HE ARG 52 HE ARG 52 -11.737 -4.565 7.539 453 1HH1 ARG 52 1HH2 ARG 52 -10.747 -1.475 6.376 454 2HH1 ARG 52 2HH2 ARG 52 -12.340 -0.999 5.890 455 1HH2 ARG 52 1HH1 ARG 52 -13.823 -3.963 6.913 456 2HH2 ARG 52 2HH1 ARG 52 -14.083 -2.408 6.195 457 H SER 53 H SER 53 -7.917 -7.311 5.246 458 HA SER 53 HA SER 53 -5.587 -5.681 5.026 459 1HB SER 53 2HB SER 53 -5.741 -8.485 3.942 460 2HB SER 53 1HB SER 53 -4.382 -7.683 4.721 461 HG SER 53 HG SER 53 -6.562 -8.974 5.809 462 H LEU 54 H LEU 54 -7.577 -7.295 2.569 463 HA LEU 54 HA LEU 54 -5.991 -6.801 0.296 464 1HB LEU 54 2HB LEU 54 -8.353 -7.961 0.578 465 2HB LEU 54 1HB LEU 54 -8.964 -6.362 0.161 466 HG LEU 54 HG LEU 54 -7.031 -8.021 -1.484 467 1HD1 LEU 54 1HD1 LEU 54 -9.360 -8.814 -1.576 468 2HD1 LEU 54 2HD1 LEU 54 -8.901 -8.065 -3.105 469 3HD1 LEU 54 3HD1 LEU 54 -9.908 -7.181 -1.958 470 1HD2 LEU 54 1HD2 LEU 54 -8.091 -5.205 -1.763 471 2HD2 LEU 54 2HD2 LEU 54 -7.553 -6.122 -3.169 472 3HD2 LEU 54 3HD2 LEU 54 -6.422 -5.763 -1.867 473 H GLU 55 H GLU 55 -8.598 -4.721 1.588 474 HA GLU 55 HA GLU 55 -8.166 -2.494 -0.080 475 1HB GLU 55 2HB GLU 55 -8.958 -2.447 2.850 476 2HB GLU 55 1HB GLU 55 -9.250 -1.166 1.673 477 1HG GLU 55 2HG GLU 55 -10.557 -2.864 0.311 478 2HG GLU 55 1HG GLU 55 -10.441 -3.947 1.697 479 H ARG 56 H ARG 56 -6.532 -3.446 2.932 480 HA ARG 56 HA ARG 56 -4.976 -1.072 3.234 481 1HB ARG 56 2HB ARG 56 -5.269 -3.112 4.845 482 2HB ARG 56 1HB ARG 56 -3.909 -3.798 3.956 483 1HG ARG 56 2HG ARG 56 -2.748 -1.514 4.395 484 2HG ARG 56 1HG ARG 56 -3.989 -1.290 5.630 485 1HD ARG 56 2HD ARG 56 -1.808 -3.358 5.498 486 2HD ARG 56 1HD ARG 56 -2.264 -2.311 6.842 487 HE ARG 56 HE ARG 56 -4.488 -3.948 6.394 488 1HH1 ARG 56 1HH2 ARG 56 -1.133 -4.291 7.104 489 2HH1 ARG 56 2HH2 ARG 56 -1.334 -5.767 7.990 490 1HH2 ARG 56 1HH1 ARG 56 -4.771 -5.876 7.544 491 2HH2 ARG 56 2HH1 ARG 56 -3.394 -6.663 8.238 492 H GLN 57 H GLN 57 -4.405 -4.037 1.362 493 HA GLN 57 HA GLN 57 -1.732 -3.405 0.560 494 1HB GLN 57 2HB GLN 57 -2.820 -5.647 0.288 495 2HB GLN 57 1HB GLN 57 -3.808 -4.967 -1.005 496 1HG GLN 57 2HG GLN 57 -1.883 -4.523 -2.364 497 2HG GLN 57 1HG GLN 57 -0.784 -4.875 -1.029 498 1HE2 GLN 57 1HE2 GLN 57 -0.009 -6.448 -2.918 499 2HE2 GLN 57 2HE2 GLN 57 -0.697 -8.000 -2.893 500 H LEU 58 H LEU 58 -4.867 -2.804 -1.054 501 HA LEU 58 HA LEU 58 -3.731 -1.418 -3.301 502 1HB LEU 58 2HB LEU 58 -6.474 -0.858 -2.160 503 2HB LEU 58 1HB LEU 58 -5.955 -0.777 -3.844 504 HG LEU 58 HG LEU 58 -6.152 -3.294 -2.169 505 1HD1 LEU 58 1HD1 LEU 58 -7.905 -3.830 -3.963 506 2HD1 LEU 58 2HD1 LEU 58 -7.851 -2.115 -4.373 507 3HD1 LEU 58 3HD1 LEU 58 -8.359 -2.620 -2.762 508 1HD2 LEU 58 1HD2 LEU 58 -5.204 -2.744 -4.986 509 2HD2 LEU 58 2HD2 LEU 58 -5.778 -4.338 -4.499 510 3HD2 LEU 58 3HD2 LEU 58 -4.371 -3.628 -3.709 511 H ALA 59 H ALA 59 -5.086 -0.252 -0.213 512 HA ALA 59 HA ALA 59 -4.710 2.525 -0.718 513 1HB ALA 59 1HB ALA 59 -4.941 2.834 1.645 514 2HB ALA 59 2HB ALA 59 -4.373 1.198 1.983 515 3HB ALA 59 3HB ALA 59 -5.956 1.448 1.243 516 H ALA 60 H ALA 60 -2.551 0.014 0.501 517 HA ALA 60 HA ALA 60 -0.377 1.671 1.283 518 1HB ALA 60 1HB ALA 60 -0.155 -1.093 0.068 519 2HB ALA 60 2HB ALA 60 -0.629 -0.799 1.741 520 3HB ALA 60 3HB ALA 60 0.974 -0.322 1.182 521 H ILE 61 H ILE 61 -0.810 -0.067 -1.847 522 HA ILE 61 HA ILE 61 1.490 1.182 -3.035 523 HB ILE 61 HB ILE 61 0.110 -0.929 -3.785 524 1HG1 ILE 61 2HG1 ILE 61 1.212 1.050 -5.804 525 2HG1 ILE 61 1HG1 ILE 61 2.175 -0.097 -4.871 526 1HG2 ILE 61 1HG2 ILE 61 -1.980 0.469 -4.140 527 2HG2 ILE 61 2HG2 ILE 61 -1.515 -0.540 -5.506 528 3HG2 ILE 61 3HG2 ILE 61 -1.170 1.189 -5.531 529 1HD1 ILE 61 1HD1 ILE 61 -0.024 -0.821 -6.831 530 2HD1 ILE 61 2HD1 ILE 61 0.916 -1.971 -5.882 531 3HD1 ILE 61 3HD1 ILE 61 1.707 -0.993 -7.117 532 H CYS 62 H CYS 62 -1.982 1.974 -3.195 533 HA CYS 62 HA CYS 62 -1.853 4.093 -5.037 534 1HB CYS 62 2HB CYS 62 -3.614 3.655 -2.621 535 2HB CYS 62 1HB CYS 62 -3.837 5.021 -3.714 536 HG CYS 62 HG CYS 62 -3.731 2.581 -5.407 537 H ARG 63 H ARG 63 -1.796 4.474 -1.458 538 HA ARG 63 HA ARG 63 -1.022 7.222 -1.597 539 1HB ARG 63 2HB ARG 63 -0.595 7.090 0.749 540 2HB ARG 63 1HB ARG 63 -1.985 6.056 0.419 541 1HG ARG 63 2HG ARG 63 -0.271 4.137 0.198 542 2HG ARG 63 1HG ARG 63 0.865 5.236 0.981 543 1HD ARG 63 2HD ARG 63 -0.799 5.518 2.846 544 2HD ARG 63 1HD ARG 63 -1.778 4.258 2.094 545 HE ARG 63 HE ARG 63 0.681 3.049 2.346 546 1HH1 ARG 63 1HH2 ARG 63 -1.406 4.820 4.443 547 2HH1 ARG 63 2HH2 ARG 63 -0.909 3.973 5.871 548 1HH2 ARG 63 1HH1 ARG 63 1.343 1.935 4.195 549 2HH2 ARG 63 2HH1 ARG 63 0.648 2.338 5.730 550 H LYS 64 H LYS 64 0.938 4.248 -1.197 551 HA LYS 64 HA LYS 64 3.469 5.324 -0.812 552 1HB LYS 64 2HB LYS 64 3.006 2.881 -1.133 553 2HB LYS 64 1HB LYS 64 2.809 3.175 -2.858 554 1HG LYS 64 2HG LYS 64 5.047 2.547 -2.789 555 2HG LYS 64 1HG LYS 64 5.204 4.293 -2.618 556 1HD LYS 64 2HD LYS 64 5.143 3.933 -0.097 557 2HD LYS 64 1HD LYS 64 5.300 2.207 -0.426 558 1HE LYS 64 2HE LYS 64 7.235 4.296 -1.464 559 2HE LYS 64 1HE LYS 64 7.493 3.370 0.015 560 1HZ LYS 64 1HZ LYS 64 8.599 2.324 -1.841 561 2HZ LYS 64 2HZ LYS 64 7.143 2.249 -2.713 562 3HZ LYS 64 3HZ LYS 64 7.337 1.332 -1.294 563 H ALA 65 H ALA 65 1.540 5.246 -3.754 564 HA ALA 65 HA ALA 65 3.543 6.565 -5.399 565 1HB ALA 65 1HB ALA 65 1.702 5.127 -6.325 566 2HB ALA 65 2HB ALA 65 1.769 6.730 -7.059 567 3HB ALA 65 3HB ALA 65 0.546 6.368 -5.841 568 H ALA 66 H ALA 66 0.699 7.582 -3.499 569 HA ALA 66 HA ALA 66 0.625 10.293 -4.369 570 1HB ALA 66 1HB ALA 66 -1.099 9.135 -2.928 571 2HB ALA 66 2HB ALA 66 -0.641 10.742 -2.364 572 3HB ALA 66 3HB ALA 66 0.013 9.310 -1.570 573 H LYS 67 H LYS 67 2.534 8.730 -1.811 574 HA LYS 67 HA LYS 67 3.703 11.194 -0.859 575 1HB LYS 67 2HB LYS 67 3.760 8.443 -0.130 576 2HB LYS 67 1HB LYS 67 5.433 8.931 -0.390 577 1HG LYS 67 2HG LYS 67 5.010 10.923 1.090 578 2HG LYS 67 1HG LYS 67 3.418 10.252 1.450 579 1HD LYS 67 2HD LYS 67 4.639 8.114 2.153 580 2HD LYS 67 1HD LYS 67 6.123 9.066 2.100 581 1HE LYS 67 2HE LYS 67 3.705 9.504 3.862 582 2HE LYS 67 1HE LYS 67 5.364 9.178 4.362 583 1HZ LYS 67 1HZ LYS 67 5.333 11.419 4.595 584 2HZ LYS 67 2HZ LYS 67 4.166 11.657 3.384 585 3HZ LYS 67 3HZ LYS 67 5.782 11.350 2.962 586 H ALA 68 H ALA 68 4.702 8.736 -3.205 587 HA ALA 68 HA ALA 68 7.325 9.550 -3.732 588 1HB ALA 68 1HB ALA 68 6.242 7.610 -4.823 589 2HB ALA 68 2HB ALA 68 6.994 8.676 -6.011 590 3HB ALA 68 3HB ALA 68 5.247 8.711 -5.776 591 H ILE 69 H ILE 69 4.508 11.406 -4.043 592 HA ILE 69 HA ILE 69 4.961 13.020 -6.293 593 HB ILE 69 HB ILE 69 2.983 13.138 -4.758 594 1HG1 ILE 69 2HG1 ILE 69 3.962 15.055 -6.398 595 2HG1 ILE 69 1HG1 ILE 69 2.476 15.258 -5.478 596 1HG2 ILE 69 1HG2 ILE 69 4.055 13.146 -2.607 597 2HG2 ILE 69 2HG2 ILE 69 3.213 14.683 -2.779 598 3HG2 ILE 69 3HG2 ILE 69 4.960 14.608 -2.991 599 1HD1 ILE 69 1HD1 ILE 69 3.556 16.557 -3.811 600 2HD1 ILE 69 2HD1 ILE 69 4.191 17.162 -5.340 601 3HD1 ILE 69 3HD1 ILE 69 5.160 16.071 -4.354 602 H VAL 70 H VAL 70 6.711 12.897 -3.277 603 HA VAL 70 HA VAL 70 7.961 15.374 -3.129 604 HB VAL 70 HB VAL 70 8.380 13.458 -1.579 605 1HG1 VAL 70 1HG1 VAL 70 10.330 12.497 -3.684 606 2HG1 VAL 70 2HG1 VAL 70 8.711 11.821 -3.513 607 3HG1 VAL 70 3HG1 VAL 70 9.867 11.687 -2.188 608 1HG2 VAL 70 1HG2 VAL 70 10.717 14.006 -1.159 609 2HG2 VAL 70 2HG2 VAL 70 9.878 15.467 -1.681 610 3HG2 VAL 70 3HG2 VAL 70 10.912 14.592 -2.811 611 H ALA 71 H ALA 71 8.386 12.903 -5.566 612 HA ALA 71 HA ALA 71 10.861 13.920 -6.653 613 1HB ALA 71 1HB ALA 71 9.869 11.617 -7.074 614 2HB ALA 71 2HB ALA 71 10.440 12.458 -8.515 615 3HB ALA 71 3HB ALA 71 8.715 12.399 -8.155 616 H GLU 72 H GLU 72 9.798 14.015 -9.458 617 HA GLU 72 HA GLU 72 9.507 16.834 -9.706 618 1HB GLU 72 2HB GLU 72 8.609 16.237 -12.032 619 2HB GLU 72 1HB GLU 72 10.218 15.631 -11.638 620 1HG GLU 72 2HG GLU 72 9.336 13.440 -11.112 621 2HG GLU 72 1HG GLU 72 7.677 14.020 -11.274 622 H GLU 73 H GLU 73 7.697 18.156 -9.764 623 HA GLU 73 HA GLU 73 5.363 17.493 -8.379 624 1HB GLU 73 2HB GLU 73 6.066 19.808 -9.090 625 2HB GLU 73 1HB GLU 73 5.481 19.429 -10.710 626 1HG GLU 73 2HG GLU 73 3.230 19.073 -9.879 627 2HG GLU 73 1HG GLU 73 3.776 19.255 -8.211 628 H ARG 74 H ARG 74 4.496 15.477 -8.982 629 HA ARG 74 HA ARG 74 3.687 15.077 -11.805 630 1HB ARG 74 2HB ARG 74 4.751 13.256 -10.337 631 2HB ARG 74 1HB ARG 74 3.203 13.189 -9.494 632 1HG ARG 74 2HG ARG 74 2.836 11.577 -11.122 633 2HG ARG 74 1HG ARG 74 2.246 13.004 -11.971 634 1HD ARG 74 2HD ARG 74 3.700 11.922 -13.514 635 2HD ARG 74 1HD ARG 74 4.641 13.265 -12.866 636 HE ARG 74 HE ARG 74 6.051 11.699 -11.779 637 1HH1 ARG 74 1HH2 ARG 74 3.159 10.274 -13.001 638 2HH1 ARG 74 2HH2 ARG 74 3.680 8.648 -12.713 639 1HH2 ARG 74 1HH1 ARG 74 6.749 9.584 -11.398 640 2HH2 ARG 74 2HH1 ARG 74 5.714 8.256 -11.806 641 H LYS 75 H LYS 75 1.747 15.920 -12.387 642 HA LYS 75 HA LYS 75 -0.314 16.460 -10.361 643 1HB LYS 75 2HB LYS 75 0.005 18.111 -12.115 644 2HB LYS 75 1HB LYS 75 -0.243 16.890 -13.363 645 1HG LYS 75 2HG LYS 75 -2.542 16.643 -12.822 646 2HG LYS 75 1HG LYS 75 -2.351 17.483 -11.282 647 1HD LYS 75 2HD LYS 75 -3.426 18.923 -12.999 648 2HD LYS 75 1HD LYS 75 -1.883 19.583 -12.456 649 1HE LYS 75 2HE LYS 75 -0.770 18.913 -14.434 650 2HE LYS 75 1HE LYS 75 -2.058 17.795 -14.882 651 1HZ LYS 75 1HZ LYS 75 -3.532 19.703 -15.185 652 2HZ LYS 75 2HZ LYS 75 -2.177 19.792 -16.206 653 3HZ LYS 75 3HZ LYS 75 -2.258 20.758 -14.811 654 H ARG 76 H ARG 76 -1.909 15.038 -9.867 655 HA ARG 76 HA ARG 76 -3.199 13.072 -9.950 656 1HB ARG 76 2HB ARG 76 -3.280 13.950 -12.852 657 2HB ARG 76 1HB ARG 76 -4.329 12.715 -12.156 658 1HG ARG 76 2HG ARG 76 -4.990 14.490 -10.418 659 2HG ARG 76 1HG ARG 76 -4.222 15.659 -11.493 660 1HD ARG 76 2HD ARG 76 -6.661 13.968 -11.978 661 2HD ARG 76 1HD ARG 76 -6.443 15.699 -12.234 662 HE ARG 76 HE ARG 76 -4.666 14.303 -13.972 663 1HH1 ARG 76 1HH2 ARG 76 -8.016 14.868 -13.386 664 2HH1 ARG 76 2HH2 ARG 76 -8.474 14.693 -15.047 665 1HH2 ARG 76 1HH1 ARG 76 -5.244 14.069 -16.146 666 2HH2 ARG 76 2HH1 ARG 76 -6.905 14.241 -16.610 667 H ILE 77 H ILE 77 -1.728 11.421 -9.477 668 HA ILE 77 HA ILE 77 0.179 10.438 -11.425 669 HB ILE 77 HB ILE 77 -0.852 9.064 -8.926 670 1HG1 ILE 77 2HG1 ILE 77 1.572 10.854 -9.287 671 2HG1 ILE 77 1HG1 ILE 77 0.064 11.368 -8.530 672 1HG2 ILE 77 1HG2 ILE 77 0.367 7.592 -10.478 673 2HG2 ILE 77 2HG2 ILE 77 1.327 7.903 -9.032 674 3HG2 ILE 77 3HG2 ILE 77 1.699 8.746 -10.535 675 1HD1 ILE 77 1HD1 ILE 77 1.733 10.660 -6.841 676 2HD1 ILE 77 2HD1 ILE 77 1.792 9.063 -7.585 677 3HD1 ILE 77 3HD1 ILE 77 0.307 9.623 -6.818 678 H THR 78 H THR 78 -0.430 9.313 -13.203 679 HA THR 78 HA THR 78 -3.004 7.886 -13.249 680 HB THR 78 HB THR 78 -0.888 8.002 -15.414 681 HG1 THR 78 1HG THR 78 -2.561 9.672 -16.130 682 1HG2 THR 78 1HG2 THR 78 -2.718 6.292 -15.597 683 2HG2 THR 78 2HG2 THR 78 -2.731 7.484 -16.897 684 3HG2 THR 78 3HG2 THR 78 -3.887 7.612 -15.572 685 H VAL 79 H VAL 79 -3.221 5.640 -13.275 686 HA VAL 79 HA VAL 79 -0.699 4.033 -13.160 687 HB VAL 79 HB VAL 79 -3.095 3.453 -11.415 688 1HG1 VAL 79 1HG1 VAL 79 -1.234 2.328 -10.075 689 2HG1 VAL 79 2HG1 VAL 79 -0.203 2.584 -11.483 690 3HG1 VAL 79 3HG1 VAL 79 -1.647 1.580 -11.616 691 1HG2 VAL 79 1HG2 VAL 79 -0.652 5.130 -10.772 692 2HG2 VAL 79 2HG2 VAL 79 -1.804 4.542 -9.572 693 3HG2 VAL 79 3HG2 VAL 79 -2.325 5.688 -10.809 694 H THR 80 H THR 80 -0.786 2.168 -14.359 695 HA THR 80 HA THR 80 -3.454 1.326 -15.431 696 HB THR 80 HB THR 80 -2.541 2.195 -17.373 697 HG1 THR 80 1HG THR 80 -2.741 -0.125 -17.548 698 1HG2 THR 80 1HG2 THR 80 -0.516 3.107 -16.531 699 2HG2 THR 80 2HG2 THR 80 -0.021 2.011 -17.821 700 3HG2 THR 80 3HG2 THR 80 0.128 1.515 -16.136 701 H GLU 81 H GLU 81 -0.384 -0.193 -16.208 702 HA GLU 81 HA GLU 81 -0.901 -2.355 -14.233 703 1HB GLU 81 2HB GLU 81 -0.726 -4.098 -15.944 704 2HB GLU 81 1HB GLU 81 -2.073 -3.022 -16.313 705 1HG GLU 81 2HG GLU 81 -0.598 -1.759 -17.877 706 2HG GLU 81 1HG GLU 81 0.693 -2.919 -17.556 707 H LYS 82 H LYS 82 1.268 -0.735 -16.483 708 HA LYS 82 HA LYS 82 3.563 -2.404 -15.769 709 1HB LYS 82 2HB LYS 82 3.488 0.298 -17.153 710 2HB LYS 82 1HB LYS 82 4.858 -0.812 -17.108 711 1HG LYS 82 2HG LYS 82 3.440 -2.529 -18.255 712 2HG LYS 82 1HG LYS 82 2.166 -1.318 -18.407 713 1HD LYS 82 2HD LYS 82 3.612 0.110 -19.743 714 2HD LYS 82 1HD LYS 82 4.974 -0.983 -19.498 715 1HE LYS 82 2HE LYS 82 2.385 -1.803 -20.841 716 2HE LYS 82 1HE LYS 82 3.820 -1.273 -21.719 717 1HZ LYS 82 1HZ LYS 82 3.260 -3.813 -20.693 718 2HZ LYS 82 2HZ LYS 82 4.596 -3.197 -19.843 719 3HZ LYS 82 3HZ LYS 82 4.639 -3.304 -21.538 720 H ASN 83 H ASN 83 2.637 0.999 -15.155 721 HA ASN 83 HA ASN 83 4.698 1.772 -13.456 722 1HB ASN 83 2HB ASN 83 1.807 2.407 -12.839 723 2HB ASN 83 1HB ASN 83 3.226 3.420 -12.571 724 1HD2 ASN 83 1HD2 ASN 83 1.199 4.587 -14.035 725 2HD2 ASN 83 2HD2 ASN 83 1.614 4.669 -15.678 726 H LEU 84 H LEU 84 1.874 -0.215 -12.657 727 HA LEU 84 HA LEU 84 1.888 -0.375 -9.925 728 1HB LEU 84 2HB LEU 84 1.708 -2.616 -11.944 729 2HB LEU 84 1HB LEU 84 1.479 -2.897 -10.220 730 HG LEU 84 HG LEU 84 -0.677 -2.517 -11.396 731 1HD1 LEU 84 1HD1 LEU 84 0.080 -1.513 -8.982 732 2HD1 LEU 84 2HD1 LEU 84 -1.555 -1.376 -9.622 733 3HD1 LEU 84 3HD1 LEU 84 -0.427 -0.032 -9.792 734 1HD2 LEU 84 1HD2 LEU 84 0.443 -0.894 -13.060 735 2HD2 LEU 84 2HD2 LEU 84 0.232 0.332 -11.814 736 3HD2 LEU 84 3HD2 LEU 84 -1.174 -0.481 -12.500 737 H GLN 85 H GLN 85 4.106 -2.301 -11.985 738 HA GLN 85 HA GLN 85 5.621 -3.412 -9.859 739 1HB GLN 85 2HB GLN 85 6.469 -2.651 -12.670 740 2HB GLN 85 1HB GLN 85 7.451 -3.618 -11.570 741 1HG GLN 85 2HG GLN 85 5.540 -5.239 -11.391 742 2HG GLN 85 1HG GLN 85 4.706 -4.319 -12.643 743 1HE2 GLN 85 1HE2 GLN 85 5.653 -7.113 -12.887 744 2HE2 GLN 85 2HE2 GLN 85 6.778 -7.128 -14.159 745 H ASP 86 H ASP 86 5.927 -0.323 -11.565 746 HA ASP 86 HA ASP 86 8.371 0.554 -10.435 747 1HB ASP 86 2HB ASP 86 6.957 1.660 -12.280 748 2HB ASP 86 1HB ASP 86 6.032 2.390 -10.967 749 H PHE 87 H PHE 87 5.057 0.724 -9.149 750 HA PHE 87 HA PHE 87 5.887 2.244 -6.799 751 1HB PHE 87 2HB PHE 87 3.338 0.727 -7.435 752 2HB PHE 87 1HB PHE 87 3.574 1.697 -5.982 753 HD1 PHE 87 1HD PHE 87 4.625 4.147 -6.532 754 HD2 PHE 87 2HD PHE 87 2.239 1.775 -9.201 755 HE1 PHE 87 1HE PHE 87 3.997 6.188 -7.787 756 HE2 PHE 87 2HE PHE 87 1.611 3.814 -10.456 757 HZ PHE 87 HZ PHE 87 2.491 6.023 -9.751 758 H ILE 88 H ILE 88 4.731 -1.101 -7.302 759 HA ILE 88 HA ILE 88 5.543 -1.900 -4.633 760 HB ILE 88 HB ILE 88 4.298 -3.175 -6.993 761 1HG1 ILE 88 2HG1 ILE 88 3.817 -3.613 -4.042 762 2HG1 ILE 88 1HG1 ILE 88 3.120 -2.257 -4.929 763 1HG2 ILE 88 1HG2 ILE 88 5.981 -4.679 -4.997 764 2HG2 ILE 88 2HG2 ILE 88 5.991 -4.811 -6.756 765 3HG2 ILE 88 3HG2 ILE 88 4.631 -5.443 -5.833 766 1HD1 ILE 88 1HD1 ILE 88 2.697 -5.205 -5.495 767 2HD1 ILE 88 2HD1 ILE 88 2.120 -3.906 -6.539 768 3HD1 ILE 88 3HD1 ILE 88 1.496 -4.060 -4.897 769 H GLY 89 H GLY 89 6.683 -2.945 -7.867 770 1HA GLY 89 2HA GLY 89 9.208 -2.658 -8.194 771 2HA GLY 89 1HA GLY 89 9.364 -3.452 -6.627 772 H LYS 90 H LYS 90 8.696 -5.699 -6.462 773 HA LYS 90 HA LYS 90 8.733 -7.111 -9.105 774 1HB LYS 90 2HB LYS 90 9.507 -9.048 -7.392 775 2HB LYS 90 1HB LYS 90 10.654 -7.942 -8.146 776 1HG LYS 90 2HG LYS 90 10.565 -6.469 -6.186 777 2HG LYS 90 1HG LYS 90 9.366 -7.522 -5.432 778 1HD LYS 90 2HD LYS 90 10.915 -9.271 -5.121 779 2HD LYS 90 1HD LYS 90 12.038 -8.610 -6.310 780 1HE LYS 90 2HE LYS 90 12.390 -6.640 -4.785 781 2HE LYS 90 1HE LYS 90 11.407 -7.464 -3.575 782 1HZ LYS 90 1HZ LYS 90 13.529 -8.107 -3.016 783 2HZ LYS 90 2HZ LYS 90 14.056 -8.197 -4.629 784 3HZ LYS 90 3HZ LYS 90 13.037 -9.401 -3.996 785 H ARG 91 H ARG 91 7.853 -9.553 -8.528 786 HA ARG 91 HA ARG 91 5.289 -9.216 -7.022 787 1HB ARG 91 2HB ARG 91 5.614 -10.612 -9.696 788 2HB ARG 91 1HB ARG 91 4.115 -10.456 -8.779 789 1HG ARG 91 2HG ARG 91 4.448 -7.931 -8.909 790 2HG ARG 91 1HG ARG 91 5.719 -8.251 -10.092 791 1HD ARG 91 2HD ARG 91 4.071 -9.515 -11.470 792 2HD ARG 91 1HD ARG 91 2.810 -9.080 -10.317 793 HE ARG 91 HE ARG 91 4.016 -7.296 -12.303 794 1HH1 ARG 91 1HH2 ARG 91 2.328 -7.643 -9.316 795 2HH1 ARG 91 2HH2 ARG 91 1.623 -6.063 -9.379 796 1HH2 ARG 91 1HH1 ARG 91 3.107 -5.230 -12.399 797 2HH2 ARG 91 2HH1 ARG 91 2.065 -4.696 -11.122 798 H ILE 92 H ILE 92 4.407 -11.893 -7.644 799 HA ILE 92 HA ILE 92 6.557 -13.582 -6.440 800 HB ILE 92 HB ILE 92 3.705 -13.292 -5.453 801 1HG1 ILE 92 2HG1 ILE 92 6.316 -13.084 -3.934 802 2HG1 ILE 92 1HG1 ILE 92 5.531 -11.686 -4.667 803 1HG2 ILE 92 1HG2 ILE 92 5.804 -15.399 -4.910 804 2HG2 ILE 92 2HG2 ILE 92 4.132 -15.636 -5.416 805 3HG2 ILE 92 3HG2 ILE 92 4.488 -15.076 -3.782 806 1HD1 ILE 92 1HD1 ILE 92 4.213 -13.543 -2.664 807 2HD1 ILE 92 2HD1 ILE 92 3.520 -12.069 -3.338 808 3HD1 ILE 92 3HD1 ILE 92 4.917 -11.975 -2.266 809 H PHE 93 H PHE 93 3.195 -13.717 -7.680 810 HA PHE 93 HA PHE 93 3.525 -16.440 -8.632 811 1HB PHE 93 2HB PHE 93 1.419 -14.336 -9.209 812 2HB PHE 93 1HB PHE 93 1.327 -16.006 -9.772 813 HD1 PHE 93 1HD PHE 93 1.788 -13.989 -6.646 814 HD2 PHE 93 2HD PHE 93 0.373 -17.650 -8.393 815 HE1 PHE 93 1HE PHE 93 0.859 -14.677 -4.453 816 HE2 PHE 93 2HE PHE 93 -0.557 -18.337 -6.200 817 HZ PHE 93 HZ PHE 93 -0.314 -16.850 -4.229 818 H ARG 94 H ARG 94 4.658 -16.980 -10.426 819 HA ARG 94 HA ARG 94 5.378 -14.913 -12.390 820 1HB ARG 94 2HB ARG 94 6.944 -16.757 -11.555 821 2HB ARG 94 1HB ARG 94 6.000 -17.869 -12.546 822 1HG ARG 94 2HG ARG 94 6.445 -16.397 -14.526 823 2HG ARG 94 1HG ARG 94 7.510 -15.424 -13.511 824 1HD ARG 94 2HD ARG 94 9.025 -17.238 -13.188 825 2HD ARG 94 1HD ARG 94 7.875 -18.408 -13.836 826 HE ARG 94 HE ARG 94 9.681 -16.771 -15.400 827 1HH1 ARG 94 1HH2 ARG 94 6.560 -18.231 -15.266 828 2HH1 ARG 94 2HH2 ARG 94 6.400 -18.362 -16.985 829 1HH2 ARG 94 1HH1 ARG 94 9.489 -16.932 -17.648 830 2HH2 ARG 94 2HH1 ARG 94 8.058 -17.626 -18.334 831 H TYR 95 H TYR 95 2.903 -14.764 -12.837 832 HA TYR 95 HA TYR 95 1.074 -15.232 -14.240 833 1HB TYR 95 2HB TYR 95 3.458 -15.058 -15.753 834 2HB TYR 95 1HB TYR 95 2.578 -16.432 -16.416 835 HD1 TYR 95 1HD TYR 95 3.052 -13.077 -16.910 836 HD2 TYR 95 2HD TYR 95 -0.165 -15.870 -16.353 837 HE1 TYR 95 1HE TYR 95 1.506 -11.529 -18.075 838 HE2 TYR 95 2HE TYR 95 -1.711 -14.321 -17.519 839 HH TYR 95 HH TYR 95 -0.723 -11.071 -18.415 Start of MODEL 11 1 H ALA 1 H ALA 1 -19.557 -15.283 6.240 2 HA ALA 1 HA ALA 1 -22.449 -15.750 6.447 3 1HB ALA 1 1HB ALA 1 -21.054 -13.083 6.178 4 2HB ALA 1 2HB ALA 1 -21.153 -13.944 7.714 5 3HB ALA 1 3HB ALA 1 -22.627 -13.414 6.903 6 H GLY 2 H GLY 2 -20.491 -13.658 4.318 7 1HA GLY 2 2HA GLY 2 -21.853 -14.670 1.939 8 2HA GLY 2 1HA GLY 2 -22.330 -13.029 2.374 9 H TYR 3 H TYR 3 -19.110 -14.015 3.167 10 HA TYR 3 HA TYR 3 -18.035 -11.988 1.345 11 1HB TYR 3 2HB TYR 3 -16.931 -12.054 3.442 12 2HB TYR 3 1HB TYR 3 -16.830 -13.814 3.428 13 HD1 TYR 3 1HD TYR 3 -14.575 -14.439 3.345 14 HD2 TYR 3 2HD TYR 3 -15.955 -11.221 0.853 15 HE1 TYR 3 1HE TYR 3 -12.343 -14.307 2.275 16 HE2 TYR 3 2HE TYR 3 -13.725 -11.093 -0.215 17 HH TYR 3 HH TYR 3 -10.985 -12.780 1.044 18 H THR 4 H THR 4 -18.797 -13.166 -0.628 19 HA THR 4 HA THR 4 -17.026 -15.475 -1.332 20 HB THR 4 HB THR 4 -19.420 -15.995 -1.461 21 HG1 THR 4 1HG THR 4 -18.113 -16.919 -3.032 22 1HG2 THR 4 1HG2 THR 4 -19.674 -13.881 -3.594 23 2HG2 THR 4 2HG2 THR 4 -20.011 -13.521 -1.901 24 3HG2 THR 4 3HG2 THR 4 -20.957 -14.744 -2.750 25 H GLU 5 H GLU 5 -17.938 -14.916 -4.204 26 HA GLU 5 HA GLU 5 -15.665 -13.201 -4.871 27 1HB GLU 5 2HB GLU 5 -16.683 -13.588 -7.263 28 2HB GLU 5 1HB GLU 5 -15.911 -14.931 -6.420 29 1HG GLU 5 2HG GLU 5 -18.037 -15.806 -5.703 30 2HG GLU 5 1HG GLU 5 -18.883 -14.367 -6.275 31 H ILE 6 H ILE 6 -19.212 -12.945 -5.052 32 HA ILE 6 HA ILE 6 -19.275 -10.448 -6.424 33 HB ILE 6 HB ILE 6 -21.564 -10.396 -5.902 34 1HG1 ILE 6 2HG1 ILE 6 -20.774 -11.863 -3.374 35 2HG1 ILE 6 1HG1 ILE 6 -21.530 -10.277 -3.512 36 1HG2 ILE 6 1HG2 ILE 6 -22.330 -12.605 -6.320 37 2HG2 ILE 6 2HG2 ILE 6 -20.967 -13.323 -5.462 38 3HG2 ILE 6 3HG2 ILE 6 -20.715 -12.547 -7.026 39 1HD1 ILE 6 1HD1 ILE 6 -23.310 -11.715 -2.908 40 2HD1 ILE 6 2HD1 ILE 6 -22.767 -12.985 -4.004 41 3HD1 ILE 6 3HD1 ILE 6 -23.489 -11.511 -4.650 42 H GLU 7 H GLU 7 -19.078 -11.219 -2.959 43 HA GLU 7 HA GLU 7 -19.448 -8.617 -1.925 44 1HB GLU 7 2HB GLU 7 -19.161 -10.792 -0.620 45 2HB GLU 7 1HB GLU 7 -17.424 -10.594 -0.854 46 1HG GLU 7 2HG GLU 7 -17.877 -9.588 1.253 47 2HG GLU 7 1HG GLU 7 -17.719 -8.240 0.126 48 H LYS 8 H LYS 8 -16.229 -10.138 -2.317 49 HA LYS 8 HA LYS 8 -14.720 -7.793 -2.088 50 1HB LYS 8 2HB LYS 8 -13.255 -9.215 -3.946 51 2HB LYS 8 1HB LYS 8 -13.199 -9.475 -2.204 52 1HG LYS 8 2HG LYS 8 -14.721 -11.286 -2.312 53 2HG LYS 8 1HG LYS 8 -15.243 -10.860 -3.940 54 1HD LYS 8 2HD LYS 8 -13.654 -12.836 -3.810 55 2HD LYS 8 1HD LYS 8 -13.136 -11.535 -4.881 56 1HE LYS 8 2HE LYS 8 -11.551 -10.726 -3.302 57 2HE LYS 8 1HE LYS 8 -12.258 -11.673 -1.993 58 1HZ LYS 8 1HZ LYS 8 -10.907 -13.330 -2.505 59 2HZ LYS 8 2HZ LYS 8 -10.220 -12.412 -3.759 60 3HZ LYS 8 3HZ LYS 8 -11.557 -13.413 -4.070 61 H LEU 9 H LEU 9 -16.296 -9.092 -5.020 62 HA LEU 9 HA LEU 9 -15.129 -7.187 -6.812 63 1HB LEU 9 2HB LEU 9 -17.428 -9.063 -6.860 64 2HB LEU 9 1HB LEU 9 -17.556 -7.696 -7.961 65 HG LEU 9 HG LEU 9 -16.443 -9.775 -8.918 66 1HD1 LEU 9 1HD1 LEU 9 -16.105 -7.278 -9.641 67 2HD1 LEU 9 2HD1 LEU 9 -15.014 -8.510 -10.268 68 3HD1 LEU 9 3HD1 LEU 9 -14.500 -7.476 -8.939 69 1HD2 LEU 9 1HD2 LEU 9 -14.435 -10.559 -8.109 70 2HD2 LEU 9 2HD2 LEU 9 -15.082 -9.916 -6.602 71 3HD2 LEU 9 3HD2 LEU 9 -13.919 -8.975 -7.534 72 H GLU 10 H GLU 10 -18.207 -7.106 -5.007 73 HA GLU 10 HA GLU 10 -19.144 -4.625 -5.995 74 1HB GLU 10 2HB GLU 10 -19.953 -6.481 -4.054 75 2HB GLU 10 1HB GLU 10 -19.739 -4.980 -3.157 76 1HG GLU 10 2HG GLU 10 -21.357 -5.228 -5.713 77 2HG GLU 10 1HG GLU 10 -22.047 -5.245 -4.091 78 H ILE 11 H ILE 11 -17.208 -5.225 -3.027 79 HA ILE 11 HA ILE 11 -16.891 -2.383 -2.540 80 HB ILE 11 HB ILE 11 -14.913 -3.393 -1.053 81 1HG1 ILE 11 2HG1 ILE 11 -16.708 -5.792 -1.067 82 2HG1 ILE 11 1HG1 ILE 11 -15.504 -5.665 -2.347 83 1HG2 ILE 11 1HG2 ILE 11 -16.590 -3.801 0.721 84 2HG2 ILE 11 2HG2 ILE 11 -17.865 -3.819 -0.496 85 3HG2 ILE 11 3HG2 ILE 11 -16.959 -2.337 -0.190 86 1HD1 ILE 11 1HD1 ILE 11 -14.621 -5.138 0.464 87 2HD1 ILE 11 2HD1 ILE 11 -13.720 -5.833 -0.884 88 3HD1 ILE 11 3HD1 ILE 11 -14.908 -6.809 -0.021 89 H VAL 12 H VAL 12 -14.403 -4.825 -3.377 90 HA VAL 12 HA VAL 12 -12.263 -3.221 -3.932 91 HB VAL 12 HB VAL 12 -13.202 -5.506 -5.683 92 1HG1 VAL 12 1HG1 VAL 12 -10.540 -4.100 -5.376 93 2HG1 VAL 12 2HG1 VAL 12 -11.488 -4.303 -6.849 94 3HG1 VAL 12 3HG1 VAL 12 -10.702 -5.697 -6.108 95 1HG2 VAL 12 1HG2 VAL 12 -12.848 -5.818 -3.115 96 2HG2 VAL 12 2HG2 VAL 12 -11.136 -5.622 -3.485 97 3HG2 VAL 12 3HG2 VAL 12 -12.048 -6.946 -4.211 98 H LYS 13 H LYS 13 -15.051 -3.629 -6.135 99 HA LYS 13 HA LYS 13 -13.764 -1.893 -8.095 100 1HB LYS 13 2HB LYS 13 -15.657 -2.267 -9.492 101 2HB LYS 13 1HB LYS 13 -15.327 -3.796 -8.682 102 1HG LYS 13 2HG LYS 13 -17.557 -3.731 -8.190 103 2HG LYS 13 1HG LYS 13 -17.041 -2.661 -6.893 104 1HD LYS 13 2HD LYS 13 -18.709 -1.378 -7.901 105 2HD LYS 13 1HD LYS 13 -17.276 -0.785 -8.737 106 1HE LYS 13 2HE LYS 13 -18.854 -1.238 -10.460 107 2HE LYS 13 1HE LYS 13 -17.739 -2.603 -10.489 108 1HZ LYS 13 1HZ LYS 13 -19.483 -3.527 -8.760 109 2HZ LYS 13 2HZ LYS 13 -19.689 -3.724 -10.435 110 3HZ LYS 13 3HZ LYS 13 -20.522 -2.492 -9.614 111 H ASP 14 H ASP 14 -16.392 -1.485 -5.720 112 HA ASP 14 HA ASP 14 -16.960 1.219 -6.673 113 1HB ASP 14 2HB ASP 14 -18.752 -0.097 -5.709 114 2HB ASP 14 1HB ASP 14 -17.857 -0.274 -4.199 115 H HIS 15 H HIS 15 -15.220 -0.116 -3.863 116 HA HIS 15 HA HIS 15 -14.828 2.455 -2.631 117 1HB HIS 15 2HB HIS 15 -13.700 1.323 -0.957 118 2HB HIS 15 1HB HIS 15 -14.704 0.039 -1.623 119 HD1 HIS 15 1HD HIS 15 -11.521 0.237 -0.390 120 HD2 HIS 15 2HD HIS 15 -12.909 -0.961 -4.135 121 HE1 HIS 15 1HE HIS 15 -9.700 -1.205 -1.401 122 HE2 HIS 15 2HE HIS 15 -10.535 -1.940 -3.681 123 H LEU 16 H LEU 16 -12.756 0.525 -4.798 124 HA LEU 16 HA LEU 16 -10.303 1.669 -4.540 125 1HB LEU 16 2HB LEU 16 -10.047 1.584 -7.052 126 2HB LEU 16 1HB LEU 16 -10.616 0.099 -6.300 127 HG LEU 16 HG LEU 16 -12.994 0.945 -6.825 128 1HD1 LEU 16 1HD1 LEU 16 -11.399 3.114 -7.953 129 2HD1 LEU 16 2HD1 LEU 16 -13.144 3.013 -7.729 130 3HD1 LEU 16 3HD1 LEU 16 -12.406 2.359 -9.185 131 1HD2 LEU 16 1HD2 LEU 16 -11.752 -0.891 -8.024 132 2HD2 LEU 16 2HD2 LEU 16 -11.183 0.317 -9.174 133 3HD2 LEU 16 3HD2 LEU 16 -12.906 -0.032 -9.045 134 H LEU 17 H LEU 17 -13.072 3.380 -5.982 135 HA LEU 17 HA LEU 17 -11.445 5.625 -6.800 136 1HB LEU 17 2HB LEU 17 -14.311 4.930 -6.815 137 2HB LEU 17 1HB LEU 17 -13.990 6.656 -6.631 138 HG LEU 17 HG LEU 17 -12.539 5.067 -8.740 139 1HD1 LEU 17 1HD1 LEU 17 -15.289 6.322 -8.997 140 2HD1 LEU 17 2HD1 LEU 17 -14.926 4.599 -9.089 141 3HD1 LEU 17 3HD1 LEU 17 -14.329 5.694 -10.336 142 1HD2 LEU 17 1HD2 LEU 17 -12.008 7.500 -8.018 143 2HD2 LEU 17 2HD2 LEU 17 -13.519 7.924 -8.821 144 3HD2 LEU 17 3HD2 LEU 17 -12.208 7.189 -9.742 145 HA PRO 18 HA PRO 18 -13.123 8.033 -3.025 146 1HB PRO 18 2HB PRO 18 -14.681 6.735 -1.185 147 2HB PRO 18 1HB PRO 18 -15.343 7.543 -2.621 148 1HG PRO 18 2HG PRO 18 -14.732 4.650 -2.199 149 2HG PRO 18 1HG PRO 18 -16.170 5.400 -2.919 150 1HD PRO 18 2HD PRO 18 -14.217 4.351 -4.468 151 2HD PRO 18 1HD PRO 18 -15.111 5.812 -4.948 152 H LYS 19 H LYS 19 -12.756 4.627 -1.958 153 HA LYS 19 HA LYS 19 -11.601 4.970 0.521 154 1HB LYS 19 2HB LYS 19 -11.925 2.833 -1.120 155 2HB LYS 19 1HB LYS 19 -10.173 3.005 -1.192 156 1HG LYS 19 2HG LYS 19 -11.807 2.812 1.360 157 2HG LYS 19 1HG LYS 19 -10.866 1.500 0.653 158 1HD LYS 19 2HD LYS 19 -8.830 2.984 0.818 159 2HD LYS 19 1HD LYS 19 -9.812 4.124 1.737 160 1HE LYS 19 2HE LYS 19 -10.360 2.201 3.311 161 2HE LYS 19 1HE LYS 19 -9.104 1.279 2.484 162 1HZ LYS 19 1HZ LYS 19 -7.515 2.402 3.532 163 2HZ LYS 19 2HZ LYS 19 -8.726 2.991 4.568 164 3HZ LYS 19 3HZ LYS 19 -8.237 3.904 3.221 165 H GLN 20 H GLN 20 -9.735 4.977 -2.544 166 HA GLN 20 HA GLN 20 -7.291 5.754 -1.163 167 1HB GLN 20 2HB GLN 20 -7.719 6.053 -4.125 168 2HB GLN 20 1HB GLN 20 -6.250 5.611 -3.255 169 1HG GLN 20 2HG GLN 20 -8.734 3.903 -3.569 170 2HG GLN 20 1HG GLN 20 -7.170 3.625 -4.332 171 1HE2 GLN 20 1HE2 GLN 20 -5.894 2.140 -3.235 172 2HE2 GLN 20 2HE2 GLN 20 -5.978 1.816 -1.572 173 H ILE 21 H ILE 21 -9.455 7.474 -3.450 174 HA ILE 21 HA ILE 21 -8.138 9.919 -3.501 175 HB ILE 21 HB ILE 21 -10.464 9.082 -4.557 176 1HG1 ILE 21 2HG1 ILE 21 -10.856 11.478 -5.216 177 2HG1 ILE 21 1HG1 ILE 21 -9.638 11.955 -4.035 178 1HG2 ILE 21 1HG2 ILE 21 -12.369 10.135 -3.606 179 2HG2 ILE 21 2HG2 ILE 21 -11.384 11.118 -2.523 180 3HG2 ILE 21 3HG2 ILE 21 -11.540 9.385 -2.243 181 1HD1 ILE 21 1HD1 ILE 21 -8.751 9.830 -5.888 182 2HD1 ILE 21 2HD1 ILE 21 -7.916 11.292 -5.364 183 3HD1 ILE 21 3HD1 ILE 21 -9.104 11.374 -6.663 184 H LYS 22 H LYS 22 -10.256 8.722 -0.900 185 HA LYS 22 HA LYS 22 -10.381 11.198 0.524 186 1HB LYS 22 2HB LYS 22 -11.812 9.150 0.936 187 2HB LYS 22 1HB LYS 22 -10.427 8.440 1.765 188 1HG LYS 22 2HG LYS 22 -10.398 10.621 3.165 189 2HG LYS 22 1HG LYS 22 -12.026 10.881 2.541 190 1HD LYS 22 2HD LYS 22 -11.182 8.314 3.912 191 2HD LYS 22 1HD LYS 22 -11.894 9.673 4.778 192 1HE LYS 22 2HE LYS 22 -13.956 8.983 4.174 193 2HE LYS 22 1HE LYS 22 -13.522 9.137 2.474 194 1HZ LYS 22 1HZ LYS 22 -13.467 6.777 4.204 195 2HZ LYS 22 2HZ LYS 22 -12.301 6.889 2.972 196 3HZ LYS 22 3HZ LYS 22 -13.955 6.922 2.586 197 H GLU 23 H GLU 23 -8.671 8.422 1.917 198 HA GLU 23 HA GLU 23 -6.930 9.791 3.567 199 1HB GLU 23 2HB GLU 23 -6.373 7.306 1.921 200 2HB GLU 23 1HB GLU 23 -5.318 7.878 3.214 201 1HG GLU 23 2HG GLU 23 -8.265 7.310 3.617 202 2HG GLU 23 1HG GLU 23 -7.002 6.114 3.915 203 H HIS 24 H HIS 24 -6.584 9.234 0.105 204 HA HIS 24 HA HIS 24 -3.976 10.561 -0.022 205 1HB HIS 24 2HB HIS 24 -5.829 9.905 -2.328 206 2HB HIS 24 1HB HIS 24 -4.078 10.121 -2.378 207 HD1 HIS 24 1HD HIS 24 -5.760 8.110 0.334 208 HD2 HIS 24 2HD HIS 24 -3.544 7.427 -3.130 209 HE1 HIS 24 1HE HIS 24 -5.163 5.650 0.337 210 HE2 HIS 24 2HE HIS 24 -3.812 5.224 -1.766 211 H GLY 25 H GLY 25 -7.345 11.332 -0.736 212 1HA GLY 25 2HA GLY 25 -7.247 13.727 -2.082 213 2HA GLY 25 1HA GLY 25 -8.394 13.446 -0.773 214 H LEU 26 H LEU 26 -6.455 13.232 1.343 215 HA LEU 26 HA LEU 26 -6.300 15.757 2.391 216 1HB LEU 26 2HB LEU 26 -4.387 13.448 2.560 217 2HB LEU 26 1HB LEU 26 -3.948 14.976 3.322 218 HG LEU 26 HG LEU 26 -6.056 14.956 4.597 219 1HD1 LEU 26 1HD1 LEU 26 -7.426 12.844 4.545 220 2HD1 LEU 26 2HD1 LEU 26 -6.483 12.328 3.147 221 3HD1 LEU 26 3HD1 LEU 26 -7.492 13.770 3.045 222 1HD2 LEU 26 1HD2 LEU 26 -5.500 13.117 6.098 223 2HD2 LEU 26 2HD2 LEU 26 -4.005 13.829 5.493 224 3HD2 LEU 26 3HD2 LEU 26 -4.592 12.307 4.823 225 H LYS 27 H LYS 27 -4.065 14.435 -0.037 226 HA LYS 27 HA LYS 27 -2.759 17.106 -0.257 227 1HB LYS 27 2HB LYS 27 -2.008 14.579 -1.746 228 2HB LYS 27 1HB LYS 27 -1.012 16.006 -1.457 229 1HG LYS 27 2HG LYS 27 -1.258 15.489 1.041 230 2HG LYS 27 1HG LYS 27 -1.891 13.918 0.545 231 1HD LYS 27 2HD LYS 27 0.179 13.511 -0.757 232 2HD LYS 27 1HD LYS 27 0.818 15.058 -0.201 233 1HE LYS 27 2HE LYS 27 0.186 12.610 1.455 234 2HE LYS 27 1HE LYS 27 1.740 13.421 1.270 235 1HZ LYS 27 1HZ LYS 27 1.114 14.359 3.206 236 2HZ LYS 27 2HZ LYS 27 -0.546 14.139 2.921 237 3HZ LYS 27 3HZ LYS 27 0.283 15.427 2.183 238 H LYS 28 H LYS 28 -2.537 17.998 -2.493 239 HA LYS 28 HA LYS 28 -4.912 18.353 -3.865 240 1HB LYS 28 2HB LYS 28 -3.059 19.704 -4.510 241 2HB LYS 28 1HB LYS 28 -2.074 18.297 -4.908 242 1HG LYS 28 2HG LYS 28 -3.303 17.841 -6.873 243 2HG LYS 28 1HG LYS 28 -4.658 18.848 -6.364 244 1HD LYS 28 2HD LYS 28 -3.221 20.860 -6.563 245 2HD LYS 28 1HD LYS 28 -1.894 19.840 -7.122 246 1HE LYS 28 2HE LYS 28 -3.037 20.832 -9.046 247 2HE LYS 28 1HE LYS 28 -3.303 19.089 -9.027 248 1HZ LYS 28 1HZ LYS 28 -5.333 20.094 -7.511 249 2HZ LYS 28 2HZ LYS 28 -5.455 19.577 -9.124 250 3HZ LYS 28 3HZ LYS 28 -5.195 21.219 -8.773 251 H SER 29 H SER 29 -5.789 17.402 -5.851 252 HA SER 29 HA SER 29 -6.200 14.666 -5.857 253 1HB SER 29 2HB SER 29 -5.976 16.461 -8.294 254 2HB SER 29 1HB SER 29 -6.711 14.860 -8.288 255 HG SER 29 HG SER 29 -7.996 15.841 -6.447 256 H ASN 30 H ASN 30 -4.310 13.484 -5.385 257 HA ASN 30 HA ASN 30 -2.239 13.460 -7.547 258 1HB ASN 30 2HB ASN 30 -1.646 14.277 -5.138 259 2HB ASN 30 1HB ASN 30 -1.705 12.564 -4.723 260 1HD2 ASN 30 1HD2 ASN 30 0.540 12.129 -4.505 261 2HD2 ASN 30 2HD2 ASN 30 1.661 12.339 -5.762 262 H LEU 31 H LEU 31 -4.444 11.819 -7.929 263 HA LEU 31 HA LEU 31 -3.153 9.204 -7.882 264 1HB LEU 31 2HB LEU 31 -4.362 9.600 -5.585 265 2HB LEU 31 1HB LEU 31 -5.825 9.277 -6.510 266 HG LEU 31 HG LEU 31 -4.600 7.175 -7.376 267 1HD1 LEU 31 1HD1 LEU 31 -2.370 7.377 -6.750 268 2HD1 LEU 31 2HD1 LEU 31 -2.986 6.390 -5.428 269 3HD1 LEU 31 3HD1 LEU 31 -2.757 8.122 -5.200 270 1HD2 LEU 31 1HD2 LEU 31 -5.449 7.476 -4.480 271 2HD2 LEU 31 2HD2 LEU 31 -5.189 5.920 -5.271 272 3HD2 LEU 31 3HD2 LEU 31 -6.463 6.998 -5.842 273 H GLN 32 H GLN 32 -3.806 8.054 -9.632 274 HA GLN 32 HA GLN 32 -6.510 8.451 -10.758 275 1HB GLN 32 2HB GLN 32 -3.987 9.434 -12.011 276 2HB GLN 32 1HB GLN 32 -5.117 8.605 -13.081 277 1HG GLN 32 2HG GLN 32 -6.932 10.131 -12.263 278 2HG GLN 32 1HG GLN 32 -5.714 11.016 -11.341 279 1HE2 GLN 32 1HE2 GLN 32 -7.332 12.016 -13.656 280 2HE2 GLN 32 2HE2 GLN 32 -6.205 12.486 -14.834 281 H LEU 33 H LEU 33 -6.608 6.195 -9.995 282 HA LEU 33 HA LEU 33 -4.943 4.288 -11.565 283 1HB LEU 33 2HB LEU 33 -5.803 2.594 -9.940 284 2HB LEU 33 1HB LEU 33 -4.896 3.893 -9.171 285 HG LEU 33 HG LEU 33 -7.828 4.346 -9.445 286 1HD1 LEU 33 1HD1 LEU 33 -8.181 2.995 -7.310 287 2HD1 LEU 33 2HD1 LEU 33 -6.629 2.228 -7.648 288 3HD1 LEU 33 3HD1 LEU 33 -7.966 2.053 -8.785 289 1HD2 LEU 33 1HD2 LEU 33 -5.818 4.700 -7.196 290 2HD2 LEU 33 2HD2 LEU 33 -7.491 5.253 -7.158 291 3HD2 LEU 33 3HD2 LEU 33 -6.356 5.959 -8.308 292 H ARG 34 H ARG 34 -6.125 2.288 -12.288 293 HA ARG 34 HA ARG 34 -8.898 2.943 -13.217 294 1HB ARG 34 2HB ARG 34 -6.890 1.282 -14.757 295 2HB ARG 34 1HB ARG 34 -8.427 1.929 -15.333 296 1HG ARG 34 2HG ARG 34 -7.479 4.250 -14.870 297 2HG ARG 34 1HG ARG 34 -5.914 3.468 -14.650 298 1HD ARG 34 2HD ARG 34 -6.341 2.387 -16.957 299 2HD ARG 34 1HD ARG 34 -7.606 3.602 -17.146 300 HE ARG 34 HE ARG 34 -5.232 4.943 -16.348 301 1HH1 ARG 34 1HH2 ARG 34 -6.533 3.087 -18.947 302 2HH1 ARG 34 2HH2 ARG 34 -5.575 3.868 -20.160 303 1HH2 ARG 34 1HH1 ARG 34 -3.971 5.972 -17.918 304 2HH2 ARG 34 2HH1 ARG 34 -4.124 5.500 -19.577 305 H ASP 35 H ASP 35 -9.637 0.541 -14.263 306 HA ASP 35 HA ASP 35 -9.922 -1.098 -11.858 307 1HB ASP 35 2HB ASP 35 -11.719 -0.687 -13.649 308 2HB ASP 35 1HB ASP 35 -10.829 -1.837 -14.646 309 H GLN 36 H GLN 36 -8.370 -1.462 -15.047 310 HA GLN 36 HA GLN 36 -7.477 -4.128 -14.766 311 1HB GLN 36 2HB GLN 36 -5.949 -1.871 -16.094 312 2HB GLN 36 1HB GLN 36 -5.813 -3.593 -16.448 313 1HG GLN 36 2HG GLN 36 -8.214 -3.607 -17.125 314 2HG GLN 36 1HG GLN 36 -8.265 -1.862 -16.872 315 1HE2 GLN 36 1HE2 GLN 36 -7.933 -4.091 -19.301 316 2HE2 GLN 36 2HE2 GLN 36 -6.999 -3.188 -20.395 317 H ALA 37 H ALA 37 -5.995 -1.109 -13.610 318 HA ALA 37 HA ALA 37 -3.518 -2.104 -12.736 319 1HB ALA 37 1HB ALA 37 -5.265 -0.052 -11.342 320 2HB ALA 37 2HB ALA 37 -4.140 0.286 -12.658 321 3HB ALA 37 3HB ALA 37 -3.531 -0.264 -11.097 322 H ILE 38 H ILE 38 -6.188 -1.514 -10.430 323 HA ILE 38 HA ILE 38 -5.200 -3.094 -8.353 324 HB ILE 38 HB ILE 38 -8.095 -2.669 -9.145 325 1HG1 ILE 38 2HG1 ILE 38 -6.394 -1.250 -7.073 326 2HG1 ILE 38 1HG1 ILE 38 -6.657 -0.631 -8.703 327 1HG2 ILE 38 1HG2 ILE 38 -7.983 -4.528 -7.610 328 2HG2 ILE 38 2HG2 ILE 38 -8.479 -3.114 -6.682 329 3HG2 ILE 38 3HG2 ILE 38 -6.813 -3.686 -6.593 330 1HD1 ILE 38 1HD1 ILE 38 -8.228 0.174 -6.770 331 2HD1 ILE 38 2HD1 ILE 38 -9.012 -1.390 -6.993 332 3HD1 ILE 38 3HD1 ILE 38 -8.934 -0.243 -8.330 333 H LEU 39 H LEU 39 -7.465 -4.166 -10.916 334 HA LEU 39 HA LEU 39 -7.777 -6.827 -10.154 335 1HB LEU 39 2HB LEU 39 -7.967 -5.319 -12.649 336 2HB LEU 39 1HB LEU 39 -7.433 -6.973 -12.937 337 HG LEU 39 HG LEU 39 -9.785 -6.413 -11.130 338 1HD1 LEU 39 1HD1 LEU 39 -10.381 -5.296 -13.181 339 2HD1 LEU 39 2HD1 LEU 39 -11.212 -6.852 -13.168 340 3HD1 LEU 39 3HD1 LEU 39 -9.763 -6.635 -14.151 341 1HD2 LEU 39 1HD2 LEU 39 -8.803 -8.673 -11.124 342 2HD2 LEU 39 2HD2 LEU 39 -8.958 -8.755 -12.880 343 3HD2 LEU 39 3HD2 LEU 39 -10.403 -8.703 -11.868 344 H ASP 40 H ASP 40 -5.149 -5.521 -12.179 345 HA ASP 40 HA ASP 40 -3.694 -7.912 -12.514 346 1HB ASP 40 2HB ASP 40 -2.800 -5.032 -12.308 347 2HB ASP 40 1HB ASP 40 -1.661 -6.342 -12.618 348 H ILE 41 H ILE 41 -3.394 -5.485 -9.896 349 HA ILE 41 HA ILE 41 -1.327 -6.639 -8.421 350 HB ILE 41 HB ILE 41 -3.878 -5.470 -7.267 351 1HG1 ILE 41 2HG1 ILE 41 -1.264 -4.141 -8.054 352 2HG1 ILE 41 1HG1 ILE 41 -2.785 -3.991 -8.932 353 1HG2 ILE 41 1HG2 ILE 41 -2.502 -6.632 -5.596 354 2HG2 ILE 41 2HG2 ILE 41 -2.393 -4.889 -5.357 355 3HG2 ILE 41 3HG2 ILE 41 -1.074 -5.756 -6.143 356 1HD1 ILE 41 1HD1 ILE 41 -2.033 -2.882 -6.245 357 2HD1 ILE 41 2HD1 ILE 41 -3.726 -3.223 -6.598 358 3HD1 ILE 41 3HD1 ILE 41 -2.832 -2.079 -7.596 359 H ILE 42 H ILE 42 -4.624 -7.127 -7.196 360 HA ILE 42 HA ILE 42 -4.165 -9.432 -5.734 361 HB ILE 42 HB ILE 42 -6.321 -8.325 -5.655 362 1HG1 ILE 42 2HG1 ILE 42 -6.793 -11.060 -6.871 363 2HG1 ILE 42 1HG1 ILE 42 -6.145 -10.841 -5.245 364 1HG2 ILE 42 1HG2 ILE 42 -6.794 -9.366 -8.462 365 2HG2 ILE 42 2HG2 ILE 42 -6.315 -7.707 -8.101 366 3HG2 ILE 42 3HG2 ILE 42 -7.861 -8.325 -7.519 367 1HD1 ILE 42 1HD1 ILE 42 -8.656 -9.390 -6.026 368 2HD1 ILE 42 2HD1 ILE 42 -8.127 -9.927 -4.432 369 3HD1 ILE 42 3HD1 ILE 42 -8.744 -11.098 -5.596 370 H ARG 43 H ARG 43 -4.827 -9.250 -9.223 371 HA ARG 43 HA ARG 43 -5.123 -12.005 -9.740 372 1HB ARG 43 2HB ARG 43 -5.463 -10.187 -11.415 373 2HB ARG 43 1HB ARG 43 -3.714 -9.999 -11.519 374 1HG ARG 43 2HG ARG 43 -3.458 -11.886 -12.777 375 2HG ARG 43 1HG ARG 43 -4.658 -12.784 -11.849 376 1HD ARG 43 2HD ARG 43 -6.466 -11.560 -13.018 377 2HD ARG 43 1HD ARG 43 -5.256 -10.695 -13.967 378 HE ARG 43 HE ARG 43 -6.057 -13.498 -14.330 379 1HH1 ARG 43 1HH2 ARG 43 -3.739 -10.998 -14.852 380 2HH1 ARG 43 2HH2 ARG 43 -3.030 -11.763 -16.236 381 1HH2 ARG 43 1HH1 ARG 43 -5.145 -14.509 -16.133 382 2HH2 ARG 43 2HH1 ARG 43 -3.827 -13.750 -16.961 383 H TYR 44 H TYR 44 -2.095 -10.102 -9.533 384 HA TYR 44 HA TYR 44 -0.473 -12.479 -10.074 385 1HB TYR 44 2HB TYR 44 0.166 -9.643 -9.247 386 2HB TYR 44 1HB TYR 44 1.413 -10.885 -9.369 387 HD1 TYR 44 1HD TYR 44 -0.269 -8.357 -11.146 388 HD2 TYR 44 2HD TYR 44 1.292 -12.330 -11.619 389 HE1 TYR 44 1HE TYR 44 -0.167 -8.024 -13.602 390 HE2 TYR 44 2HE TYR 44 1.394 -11.998 -14.075 391 HH TYR 44 HH TYR 44 1.588 -9.621 -15.600 392 H TYR 45 H TYR 45 -1.381 -10.557 -7.243 393 HA TYR 45 HA TYR 45 0.266 -12.152 -5.436 394 1HB TYR 45 2HB TYR 45 -1.831 -10.017 -5.019 395 2HB TYR 45 1HB TYR 45 -1.037 -10.843 -3.680 396 HD1 TYR 45 1HD TYR 45 -0.135 -9.172 -6.914 397 HD2 TYR 45 2HD TYR 45 0.889 -9.879 -2.806 398 HE1 TYR 45 1HE TYR 45 1.817 -7.677 -7.149 399 HE2 TYR 45 2HE TYR 45 2.843 -8.383 -3.036 400 HH TYR 45 HH TYR 45 4.049 -7.127 -4.413 401 H THR 46 H THR 46 -3.269 -11.756 -5.879 402 HA THR 46 HA THR 46 -5.000 -13.296 -5.482 403 HB THR 46 HB THR 46 -4.563 -15.579 -5.698 404 HG1 THR 46 1HG THR 46 -1.907 -15.262 -4.829 405 1HG2 THR 46 1HG2 THR 46 -1.920 -14.818 -6.833 406 2HG2 THR 46 2HG2 THR 46 -3.328 -13.960 -7.460 407 3HG2 THR 46 3HG2 THR 46 -3.242 -15.717 -7.573 408 H ARG 47 H ARG 47 -2.177 -13.624 -3.376 409 HA ARG 47 HA ARG 47 -3.260 -14.679 -1.060 410 1HB ARG 47 2HB ARG 47 -1.541 -13.540 0.161 411 2HB ARG 47 1HB ARG 47 -0.878 -13.858 -1.440 412 1HG ARG 47 2HG ARG 47 -0.363 -11.639 -1.456 413 2HG ARG 47 1HG ARG 47 -2.071 -11.401 -1.816 414 1HD ARG 47 2HD ARG 47 -1.647 -9.992 0.046 415 2HD ARG 47 1HD ARG 47 -2.437 -11.411 0.732 416 HE ARG 47 HE ARG 47 0.468 -11.639 0.708 417 1HH1 ARG 47 1HH2 ARG 47 -2.324 -10.416 2.318 418 2HH1 ARG 47 2HH2 ARG 47 -1.577 -10.394 3.881 419 1HH2 ARG 47 1HH1 ARG 47 1.459 -11.618 2.740 420 2HH2 ARG 47 2HH1 ARG 47 0.564 -11.076 4.121 421 H GLU 48 H GLU 48 -4.407 -13.810 0.753 422 HA GLU 48 HA GLU 48 -5.244 -11.065 0.915 423 1HB GLU 48 2HB GLU 48 -7.665 -11.431 0.396 424 2HB GLU 48 1HB GLU 48 -6.625 -11.599 -1.017 425 1HG GLU 48 2HG GLU 48 -6.582 -14.127 -0.428 426 2HG GLU 48 1HG GLU 48 -7.979 -13.766 0.586 427 H ALA 49 H ALA 49 -6.423 -14.381 1.605 428 HA ALA 49 HA ALA 49 -7.274 -15.278 3.609 429 1HB ALA 49 1HB ALA 49 -5.028 -15.248 4.369 430 2HB ALA 49 2HB ALA 49 -5.935 -14.458 5.660 431 3HB ALA 49 3HB ALA 49 -5.013 -13.490 4.510 432 H GLY 50 H GLY 50 -8.282 -12.538 2.562 433 1HA GLY 50 2HA GLY 50 -10.483 -12.026 4.000 434 2HA GLY 50 1HA GLY 50 -9.270 -11.320 5.071 435 H VAL 51 H VAL 51 -11.375 -9.881 3.655 436 HA VAL 51 HA VAL 51 -10.104 -8.500 1.414 437 HB VAL 51 HB VAL 51 -12.156 -6.940 1.778 438 1HG1 VAL 51 1HG1 VAL 51 -13.672 -8.840 0.863 439 2HG1 VAL 51 2HG1 VAL 51 -12.230 -9.848 0.979 440 3HG1 VAL 51 3HG1 VAL 51 -12.226 -8.423 -0.058 441 1HG2 VAL 51 1HG2 VAL 51 -12.457 -7.870 4.153 442 2HG2 VAL 51 2HG2 VAL 51 -13.087 -9.328 3.388 443 3HG2 VAL 51 3HG2 VAL 51 -13.912 -7.785 3.159 444 H ARG 52 H ARG 52 -10.775 -7.776 4.832 445 HA ARG 52 HA ARG 52 -10.134 -5.095 5.017 446 1HB ARG 52 2HB ARG 52 -10.642 -6.736 6.920 447 2HB ARG 52 1HB ARG 52 -8.923 -7.126 6.902 448 1HG ARG 52 2HG ARG 52 -8.960 -5.417 8.483 449 2HG ARG 52 1HG ARG 52 -8.635 -4.499 7.014 450 1HD ARG 52 2HD ARG 52 -10.404 -3.264 7.846 451 2HD ARG 52 1HD ARG 52 -11.306 -4.445 6.897 452 HE ARG 52 HE ARG 52 -11.098 -5.661 9.359 453 1HH1 ARG 52 1HH2 ARG 52 -12.076 -2.558 8.220 454 2HH1 ARG 52 2HH2 ARG 52 -13.214 -2.299 9.499 455 1HH2 ARG 52 1HH1 ARG 52 -12.577 -5.341 11.037 456 2HH2 ARG 52 2HH1 ARG 52 -13.499 -3.874 11.094 457 H SER 53 H SER 53 -7.659 -7.676 5.311 458 HA SER 53 HA SER 53 -5.427 -5.935 5.132 459 1HB SER 53 2HB SER 53 -5.626 -8.802 4.182 460 2HB SER 53 1HB SER 53 -4.134 -7.931 4.524 461 HG SER 53 HG SER 53 -4.799 -7.754 6.678 462 H LEU 54 H LEU 54 -7.235 -7.645 2.594 463 HA LEU 54 HA LEU 54 -5.639 -7.015 0.374 464 1HB LEU 54 2HB LEU 54 -7.949 -8.290 0.566 465 2HB LEU 54 1HB LEU 54 -8.626 -6.711 0.169 466 HG LEU 54 HG LEU 54 -6.589 -8.258 -1.462 467 1HD1 LEU 54 1HD1 LEU 54 -8.719 -9.199 -1.876 468 2HD1 LEU 54 2HD1 LEU 54 -8.518 -8.018 -3.170 469 3HD1 LEU 54 3HD1 LEU 54 -9.526 -7.634 -1.775 470 1HD2 LEU 54 1HD2 LEU 54 -6.025 -5.966 -1.737 471 2HD2 LEU 54 2HD2 LEU 54 -7.715 -5.463 -1.709 472 3HD2 LEU 54 3HD2 LEU 54 -7.074 -6.327 -3.106 473 H GLU 55 H GLU 55 -8.426 -5.091 1.542 474 HA GLU 55 HA GLU 55 -8.039 -2.813 -0.039 475 1HB GLU 55 2HB GLU 55 -8.903 -2.892 2.870 476 2HB GLU 55 1HB GLU 55 -9.180 -1.556 1.753 477 1HG GLU 55 2HG GLU 55 -10.414 -3.193 0.261 478 2HG GLU 55 1HG GLU 55 -10.314 -4.357 1.582 479 H ARG 56 H ARG 56 -6.418 -3.735 2.990 480 HA ARG 56 HA ARG 56 -4.964 -1.300 3.351 481 1HB ARG 56 2HB ARG 56 -5.201 -3.294 4.974 482 2HB ARG 56 1HB ARG 56 -3.881 -4.031 4.064 483 1HG ARG 56 2HG ARG 56 -2.445 -2.103 4.530 484 2HG ARG 56 1HG ARG 56 -3.767 -1.300 5.378 485 1HD ARG 56 2HD ARG 56 -2.834 -4.038 6.228 486 2HD ARG 56 1HD ARG 56 -2.011 -2.586 6.798 487 HE ARG 56 HE ARG 56 -4.796 -2.232 7.231 488 1HH1 ARG 56 1HH2 ARG 56 -2.142 -4.194 8.224 489 2HH1 ARG 56 2HH2 ARG 56 -2.771 -4.475 9.814 490 1HH2 ARG 56 1HH1 ARG 56 -5.634 -2.587 9.301 491 2HH2 ARG 56 2HH1 ARG 56 -4.748 -3.565 10.423 492 H GLN 57 H GLN 57 -4.252 -4.227 1.472 493 HA GLN 57 HA GLN 57 -1.592 -3.503 0.708 494 1HB GLN 57 2HB GLN 57 -2.749 -5.767 0.408 495 2HB GLN 57 1HB GLN 57 -3.528 -5.067 -1.012 496 1HG GLN 57 2HG GLN 57 -1.277 -4.504 -1.927 497 2HG GLN 57 1HG GLN 57 -0.542 -5.320 -0.547 498 1HE2 GLN 57 1HE2 GLN 57 -1.458 -5.838 -3.732 499 2HE2 GLN 57 2HE2 GLN 57 -1.634 -7.526 -3.688 500 H LEU 58 H LEU 58 -4.711 -3.020 -0.980 501 HA LEU 58 HA LEU 58 -3.604 -1.579 -3.192 502 1HB LEU 58 2HB LEU 58 -6.357 -0.993 -2.111 503 2HB LEU 58 1HB LEU 58 -5.819 -1.066 -3.789 504 HG LEU 58 HG LEU 58 -6.172 -3.395 -1.888 505 1HD1 LEU 58 1HD1 LEU 58 -7.507 -2.629 -4.502 506 2HD1 LEU 58 2HD1 LEU 58 -8.249 -2.587 -2.903 507 3HD1 LEU 58 3HD1 LEU 58 -7.797 -4.131 -3.625 508 1HD2 LEU 58 1HD2 LEU 58 -5.552 -4.718 -4.010 509 2HD2 LEU 58 2HD2 LEU 58 -4.227 -3.924 -3.160 510 3HD2 LEU 58 3HD2 LEU 58 -4.896 -3.201 -4.622 511 H ALA 59 H ALA 59 -4.917 -0.485 -0.069 512 HA ALA 59 HA ALA 59 -4.634 2.314 -0.556 513 1HB ALA 59 1HB ALA 59 -4.454 0.741 2.034 514 2HB ALA 59 2HB ALA 59 -5.897 1.506 1.369 515 3HB ALA 59 3HB ALA 59 -4.560 2.500 1.944 516 H ALA 60 H ALA 60 -2.394 -0.150 0.615 517 HA ALA 60 HA ALA 60 -0.261 1.584 1.368 518 1HB ALA 60 1HB ALA 60 -0.500 -0.935 1.799 519 2HB ALA 60 2HB ALA 60 1.113 -0.354 1.386 520 3HB ALA 60 3HB ALA 60 0.127 -1.160 0.165 521 H ILE 61 H ILE 61 -0.701 -0.199 -1.733 522 HA ILE 61 HA ILE 61 1.560 1.051 -2.976 523 HB ILE 61 HB ILE 61 0.194 -1.070 -3.685 524 1HG1 ILE 61 2HG1 ILE 61 1.231 0.937 -5.709 525 2HG1 ILE 61 1HG1 ILE 61 2.198 -0.263 -4.849 526 1HG2 ILE 61 1HG2 ILE 61 -1.498 -0.726 -5.344 527 2HG2 ILE 61 2HG2 ILE 61 -1.180 1.008 -5.406 528 3HG2 ILE 61 3HG2 ILE 61 -1.929 0.297 -3.977 529 1HD1 ILE 61 1HD1 ILE 61 1.754 -1.268 -6.949 530 2HD1 ILE 61 2HD1 ILE 61 0.077 -0.724 -6.947 531 3HD1 ILE 61 3HD1 ILE 61 0.588 -2.011 -5.856 532 H CYS 62 H CYS 62 -1.922 1.829 -3.105 533 HA CYS 62 HA CYS 62 -1.823 3.957 -4.938 534 1HB CYS 62 2HB CYS 62 -3.539 3.541 -2.480 535 2HB CYS 62 1HB CYS 62 -3.791 4.879 -3.603 536 HG CYS 62 HG CYS 62 -4.790 2.123 -4.066 537 H ARG 63 H ARG 63 -1.867 4.409 -1.376 538 HA ARG 63 HA ARG 63 -1.030 7.117 -1.491 539 1HB ARG 63 2HB ARG 63 -0.632 6.972 0.852 540 2HB ARG 63 1HB ARG 63 -1.997 5.909 0.511 541 1HG ARG 63 2HG ARG 63 -0.213 4.038 0.276 542 2HG ARG 63 1HG ARG 63 0.863 5.159 1.109 543 1HD ARG 63 2HD ARG 63 -0.978 5.364 2.883 544 2HD ARG 63 1HD ARG 63 -1.715 3.953 2.124 545 HE ARG 63 HE ARG 63 1.110 3.593 2.813 546 1HH1 ARG 63 1HH2 ARG 63 -2.194 3.387 3.781 547 2HH1 ARG 63 2HH2 ARG 63 -1.900 2.193 5.000 548 1HH2 ARG 63 1HH1 ARG 63 1.510 2.034 4.398 549 2HH2 ARG 63 2HH1 ARG 63 0.197 1.427 5.348 550 H LYS 64 H LYS 64 0.922 4.131 -1.136 551 HA LYS 64 HA LYS 64 3.451 5.205 -0.717 552 1HB LYS 64 2HB LYS 64 3.114 2.787 -1.032 553 2HB LYS 64 1HB LYS 64 2.728 3.047 -2.733 554 1HG LYS 64 2HG LYS 64 4.920 3.376 -3.322 555 2HG LYS 64 1HG LYS 64 5.310 4.197 -1.811 556 1HD LYS 64 2HD LYS 64 5.296 2.027 -0.627 557 2HD LYS 64 1HD LYS 64 4.921 1.206 -2.142 558 1HE LYS 64 2HE LYS 64 7.042 1.570 -3.023 559 2HE LYS 64 1HE LYS 64 7.316 3.011 -2.044 560 1HZ LYS 64 1HZ LYS 64 8.429 0.697 -1.484 561 2HZ LYS 64 2HZ LYS 64 6.976 0.481 -0.631 562 3HZ LYS 64 3HZ LYS 64 7.986 1.800 -0.273 563 H ALA 65 H ALA 65 1.542 5.158 -3.674 564 HA ALA 65 HA ALA 65 3.548 6.495 -5.293 565 1HB ALA 65 1HB ALA 65 1.614 5.079 -6.168 566 2HB ALA 65 2HB ALA 65 1.835 6.633 -6.972 567 3HB ALA 65 3HB ALA 65 0.557 6.436 -5.773 568 H ALA 66 H ALA 66 0.724 7.503 -3.363 569 HA ALA 66 HA ALA 66 0.683 10.238 -4.168 570 1HB ALA 66 1HB ALA 66 0.068 9.172 -1.397 571 2HB ALA 66 2HB ALA 66 -1.055 9.087 -2.754 572 3HB ALA 66 3HB ALA 66 -0.551 10.655 -2.125 573 H LYS 67 H LYS 67 2.572 8.588 -1.647 574 HA LYS 67 HA LYS 67 3.760 10.885 -0.478 575 1HB LYS 67 2HB LYS 67 4.856 8.084 -0.849 576 2HB LYS 67 1HB LYS 67 5.611 9.310 0.168 577 1HG LYS 67 2HG LYS 67 2.698 8.708 0.574 578 2HG LYS 67 1HG LYS 67 3.887 7.566 1.199 579 1HD LYS 67 2HD LYS 67 4.261 10.493 1.765 580 2HD LYS 67 1HD LYS 67 3.067 9.590 2.697 581 1HE LYS 67 2HE LYS 67 4.764 7.984 3.398 582 2HE LYS 67 1HE LYS 67 5.971 8.773 2.382 583 1HZ LYS 67 1HZ LYS 67 5.458 9.351 4.989 584 2HZ LYS 67 2HZ LYS 67 4.652 10.594 4.155 585 3HZ LYS 67 3HZ LYS 67 6.313 10.338 3.904 586 H ALA 68 H ALA 68 4.694 8.986 -3.315 587 HA ALA 68 HA ALA 68 7.195 10.221 -3.829 588 1HB ALA 68 1HB ALA 68 5.191 9.249 -5.887 589 2HB ALA 68 2HB ALA 68 6.319 8.205 -5.022 590 3HB ALA 68 3HB ALA 68 6.927 9.442 -6.123 591 H ILE 69 H ILE 69 4.274 11.746 -3.574 592 HA ILE 69 HA ILE 69 4.002 13.485 -5.731 593 HB ILE 69 HB ILE 69 2.465 13.564 -3.856 594 1HG1 ILE 69 2HG1 ILE 69 3.610 16.278 -3.546 595 2HG1 ILE 69 1HG1 ILE 69 3.405 15.765 -5.220 596 1HG2 ILE 69 1HG2 ILE 69 4.887 14.537 -2.317 597 2HG2 ILE 69 2HG2 ILE 69 3.934 13.084 -2.012 598 3HG2 ILE 69 3HG2 ILE 69 3.237 14.677 -1.714 599 1HD1 ILE 69 1HD1 ILE 69 1.057 15.260 -4.829 600 2HD1 ILE 69 2HD1 ILE 69 1.387 16.914 -4.313 601 3HD1 ILE 69 3HD1 ILE 69 1.232 15.630 -3.113 602 H VAL 70 H VAL 70 6.570 13.370 -3.376 603 HA VAL 70 HA VAL 70 7.599 16.031 -3.914 604 HB VAL 70 HB VAL 70 8.133 14.827 -1.823 605 1HG1 VAL 70 1HG1 VAL 70 9.509 12.865 -1.809 606 2HG1 VAL 70 2HG1 VAL 70 9.849 13.013 -3.533 607 3HG1 VAL 70 3HG1 VAL 70 8.233 12.565 -2.988 608 1HG2 VAL 70 1HG2 VAL 70 9.707 16.536 -2.857 609 2HG2 VAL 70 2HG2 VAL 70 10.642 15.179 -3.485 610 3HG2 VAL 70 3HG2 VAL 70 10.468 15.400 -1.744 611 H ALA 71 H ALA 71 7.876 12.914 -5.434 612 HA ALA 71 HA ALA 71 10.307 13.487 -6.912 613 1HB ALA 71 1HB ALA 71 9.493 11.171 -6.517 614 2HB ALA 71 2HB ALA 71 9.707 11.505 -8.236 615 3HB ALA 71 3HB ALA 71 8.090 11.508 -7.531 616 H GLU 72 H GLU 72 9.138 12.633 -9.526 617 HA GLU 72 HA GLU 72 8.227 15.328 -10.376 618 1HB GLU 72 2HB GLU 72 9.026 12.902 -12.015 619 2HB GLU 72 1HB GLU 72 8.666 14.505 -12.659 620 1HG GLU 72 2HG GLU 72 11.051 14.384 -12.480 621 2HG GLU 72 1HG GLU 72 10.510 15.391 -11.137 622 H GLU 73 H GLU 73 6.176 15.694 -11.180 623 HA GLU 73 HA GLU 73 4.431 13.457 -11.925 624 1HB GLU 73 2HB GLU 73 2.681 14.522 -10.202 625 2HB GLU 73 1HB GLU 73 3.789 13.241 -9.711 626 1HG GLU 73 2HG GLU 73 5.230 14.730 -8.605 627 2HG GLU 73 1HG GLU 73 4.614 16.129 -9.484 628 H ARG 74 H ARG 74 4.434 16.921 -11.012 629 HA ARG 74 HA ARG 74 3.430 18.760 -12.066 630 1HB ARG 74 2HB ARG 74 4.200 17.002 -14.403 631 2HB ARG 74 1HB ARG 74 3.506 18.608 -14.621 632 1HG ARG 74 2HG ARG 74 5.351 19.683 -13.655 633 2HG ARG 74 1HG ARG 74 5.868 18.233 -12.793 634 1HD ARG 74 2HD ARG 74 5.862 18.334 -15.809 635 2HD ARG 74 1HD ARG 74 7.235 18.931 -14.876 636 HE ARG 74 HE ARG 74 6.791 16.409 -13.832 637 1HH1 ARG 74 1HH2 ARG 74 7.234 17.761 -16.972 638 2HH1 ARG 74 2HH2 ARG 74 7.992 16.344 -17.621 639 1HH2 ARG 74 1HH1 ARG 74 7.778 14.553 -14.659 640 2HH2 ARG 74 2HH1 ARG 74 8.300 14.527 -16.310 641 H LYS 75 H LYS 75 1.884 15.920 -11.744 642 HA LYS 75 HA LYS 75 -0.714 16.995 -12.200 643 1HB LYS 75 2HB LYS 75 -1.273 15.375 -14.158 644 2HB LYS 75 1HB LYS 75 -0.436 16.880 -14.539 645 1HG LYS 75 2HG LYS 75 1.630 15.807 -14.843 646 2HG LYS 75 1HG LYS 75 1.136 14.385 -13.922 647 1HD LYS 75 2HD LYS 75 -0.340 13.662 -15.684 648 2HD LYS 75 1HD LYS 75 -0.121 15.177 -16.561 649 1HE LYS 75 2HE LYS 75 1.259 13.420 -17.573 650 2HE LYS 75 1HE LYS 75 2.289 14.647 -16.837 651 1HZ LYS 75 1HZ LYS 75 2.860 12.253 -16.350 652 2HZ LYS 75 2HZ LYS 75 1.460 12.204 -15.387 653 3HZ LYS 75 3HZ LYS 75 2.722 13.276 -15.005 654 H ARG 76 H ARG 76 -2.413 15.182 -12.094 655 HA ARG 76 HA ARG 76 -2.097 13.574 -9.852 656 1HB ARG 76 2HB ARG 76 -3.685 12.577 -12.214 657 2HB ARG 76 1HB ARG 76 -4.066 12.452 -10.496 658 1HG ARG 76 2HG ARG 76 -4.185 15.015 -10.495 659 2HG ARG 76 1HG ARG 76 -4.189 14.906 -12.256 660 1HD ARG 76 2HD ARG 76 -6.146 13.281 -12.015 661 2HD ARG 76 1HD ARG 76 -6.226 13.779 -10.325 662 HE ARG 76 HE ARG 76 -7.169 15.822 -11.035 663 1HH1 ARG 76 1HH2 ARG 76 -5.598 14.147 -13.606 664 2HH1 ARG 76 2HH2 ARG 76 -6.136 15.247 -14.831 665 1HH2 ARG 76 1HH1 ARG 76 -7.878 17.272 -12.619 666 2HH2 ARG 76 2HH1 ARG 76 -7.426 17.018 -14.272 667 H ILE 77 H ILE 77 -1.481 11.378 -9.507 668 HA ILE 77 HA ILE 77 0.525 10.395 -11.439 669 HB ILE 77 HB ILE 77 -0.298 9.151 -8.802 670 1HG1 ILE 77 2HG1 ILE 77 1.827 11.239 -9.397 671 2HG1 ILE 77 1HG1 ILE 77 0.374 11.484 -8.427 672 1HG2 ILE 77 1HG2 ILE 77 1.047 7.798 -10.454 673 2HG2 ILE 77 2HG2 ILE 77 1.869 8.080 -8.920 674 3HG2 ILE 77 3HG2 ILE 77 2.310 9.025 -10.343 675 1HD1 ILE 77 1HD1 ILE 77 2.697 9.644 -7.797 676 2HD1 ILE 77 2HD1 ILE 77 1.183 9.653 -6.894 677 3HD1 ILE 77 3HD1 ILE 77 2.211 11.086 -6.908 678 H THR 78 H THR 78 -0.101 9.041 -13.035 679 HA THR 78 HA THR 78 -2.664 7.617 -12.852 680 HB THR 78 HB THR 78 -0.590 7.431 -15.050 681 HG1 THR 78 1HG THR 78 -1.038 9.513 -15.112 682 1HG2 THR 78 1HG2 THR 78 -3.590 7.189 -15.261 683 2HG2 THR 78 2HG2 THR 78 -2.583 5.798 -14.859 684 3HG2 THR 78 3HG2 THR 78 -2.362 6.631 -16.397 685 H VAL 79 H VAL 79 -2.891 5.431 -12.457 686 HA VAL 79 HA VAL 79 -0.364 3.862 -12.070 687 HB VAL 79 HB VAL 79 -2.991 3.501 -10.601 688 1HG1 VAL 79 1HG1 VAL 79 -1.715 1.450 -10.715 689 2HG1 VAL 79 2HG1 VAL 79 -1.516 2.119 -9.096 690 3HG1 VAL 79 3HG1 VAL 79 -0.228 2.296 -10.287 691 1HG2 VAL 79 1HG2 VAL 79 -1.879 5.650 -10.033 692 2HG2 VAL 79 2HG2 VAL 79 -0.397 4.769 -9.664 693 3HG2 VAL 79 3HG2 VAL 79 -1.840 4.518 -8.683 694 H THR 80 H THR 80 -0.237 2.584 -13.862 695 HA THR 80 HA THR 80 -2.699 1.076 -14.673 696 HB THR 80 HB THR 80 -1.655 0.953 -16.940 697 HG1 THR 80 1HG THR 80 0.144 2.881 -15.914 698 1HG2 THR 80 1HG2 THR 80 -1.915 3.442 -17.442 699 2HG2 THR 80 2HG2 THR 80 -2.170 3.666 -15.713 700 3HG2 THR 80 3HG2 THR 80 -3.286 2.669 -16.647 701 H GLU 81 H GLU 81 -2.069 -1.084 -15.750 702 HA GLU 81 HA GLU 81 -0.764 -2.780 -13.971 703 1HB GLU 81 2HB GLU 81 -0.450 -4.333 -15.898 704 2HB GLU 81 1HB GLU 81 -2.071 -3.638 -15.851 705 1HG GLU 81 2HG GLU 81 -1.243 -1.854 -17.453 706 2HG GLU 81 1HG GLU 81 0.231 -2.806 -17.633 707 H LYS 82 H LYS 82 0.658 -0.721 -16.445 708 HA LYS 82 HA LYS 82 3.310 -1.870 -16.295 709 1HB LYS 82 2HB LYS 82 2.284 -0.320 -18.127 710 2HB LYS 82 1HB LYS 82 2.741 0.997 -17.049 711 1HG LYS 82 2HG LYS 82 4.633 0.783 -18.422 712 2HG LYS 82 1HG LYS 82 5.079 -0.157 -16.999 713 1HD LYS 82 2HD LYS 82 4.692 -2.218 -18.091 714 2HD LYS 82 1HD LYS 82 3.734 -1.465 -19.367 715 1HE LYS 82 2HE LYS 82 6.216 -2.161 -19.864 716 2HE LYS 82 1HE LYS 82 5.612 -0.616 -20.463 717 1HZ LYS 82 1HZ LYS 82 6.753 0.552 -18.875 718 2HZ LYS 82 2HZ LYS 82 7.836 -0.724 -19.163 719 3HZ LYS 82 3HZ LYS 82 6.832 -0.751 -17.793 720 H ASN 83 H ASN 83 2.183 1.343 -15.183 721 HA ASN 83 HA ASN 83 4.317 2.005 -13.525 722 1HB ASN 83 2HB ASN 83 1.444 2.462 -12.694 723 2HB ASN 83 1HB ASN 83 2.843 3.488 -12.373 724 1HD2 ASN 83 1HD2 ASN 83 4.048 3.842 -14.793 725 2HD2 ASN 83 2HD2 ASN 83 2.978 4.505 -15.930 726 H LEU 84 H LEU 84 1.613 -0.163 -12.841 727 HA LEU 84 HA LEU 84 1.751 -0.667 -10.156 728 1HB LEU 84 2HB LEU 84 0.685 -1.999 -12.299 729 2HB LEU 84 1HB LEU 84 1.914 -3.144 -11.774 730 HG LEU 84 HG LEU 84 0.985 -2.937 -9.432 731 1HD1 LEU 84 1HD1 LEU 84 -0.855 -1.100 -10.900 732 2HD1 LEU 84 2HD1 LEU 84 -0.282 -1.025 -9.235 733 3HD1 LEU 84 3HD1 LEU 84 -1.575 -2.137 -9.670 734 1HD2 LEU 84 1HD2 LEU 84 0.044 -4.428 -11.654 735 2HD2 LEU 84 2HD2 LEU 84 -1.393 -3.904 -10.780 736 3HD2 LEU 84 3HD2 LEU 84 -0.143 -4.824 -9.947 737 H GLN 85 H GLN 85 4.050 -1.947 -12.567 738 HA GLN 85 HA GLN 85 5.660 -3.398 -10.695 739 1HB GLN 85 2HB GLN 85 6.286 -2.186 -13.398 740 2HB GLN 85 1HB GLN 85 7.439 -3.169 -12.495 741 1HG GLN 85 2HG GLN 85 5.724 -5.000 -12.418 742 2HG GLN 85 1HG GLN 85 4.702 -4.027 -13.476 743 1HE2 GLN 85 1HE2 GLN 85 7.052 -2.951 -14.998 744 2HE2 GLN 85 2HE2 GLN 85 7.585 -4.230 -15.978 745 H ASP 86 H ASP 86 5.806 -0.053 -11.891 746 HA ASP 86 HA ASP 86 8.271 0.675 -10.675 747 1HB ASP 86 2HB ASP 86 5.805 2.359 -11.211 748 2HB ASP 86 1HB ASP 86 7.389 3.007 -10.783 749 H PHE 87 H PHE 87 4.958 0.646 -9.379 750 HA PHE 87 HA PHE 87 5.815 1.759 -6.813 751 1HB PHE 87 2HB PHE 87 3.222 0.411 -7.624 752 2HB PHE 87 1HB PHE 87 3.497 1.252 -6.100 753 HD1 PHE 87 1HD PHE 87 4.573 3.708 -6.422 754 HD2 PHE 87 2HD PHE 87 2.189 1.622 -9.324 755 HE1 PHE 87 1HE PHE 87 3.997 5.863 -7.501 756 HE2 PHE 87 2HE PHE 87 1.613 3.778 -10.402 757 HZ PHE 87 HZ PHE 87 2.518 5.900 -9.491 758 H ILE 88 H ILE 88 4.113 -1.315 -7.447 759 HA ILE 88 HA ILE 88 4.943 -2.604 -5.094 760 HB ILE 88 HB ILE 88 3.823 -3.418 -7.686 761 1HG1 ILE 88 2HG1 ILE 88 3.284 -4.600 -4.966 762 2HG1 ILE 88 1HG1 ILE 88 2.668 -3.006 -5.402 763 1HG2 ILE 88 1HG2 ILE 88 5.442 -5.350 -6.014 764 2HG2 ILE 88 2HG2 ILE 88 5.609 -5.018 -7.739 765 3HG2 ILE 88 3HG2 ILE 88 4.189 -5.872 -7.140 766 1HD1 ILE 88 1HD1 ILE 88 2.214 -5.372 -7.213 767 2HD1 ILE 88 2HD1 ILE 88 1.306 -3.863 -7.118 768 3HD1 ILE 88 3HD1 ILE 88 1.148 -5.069 -5.841 769 H GLY 89 H GLY 89 6.506 -2.632 -8.302 770 1HA GLY 89 2HA GLY 89 8.992 -2.491 -8.338 771 2HA GLY 89 1HA GLY 89 9.008 -3.560 -6.936 772 H LYS 90 H LYS 90 7.655 -5.705 -7.447 773 HA LYS 90 HA LYS 90 7.897 -6.604 -10.228 774 1HB LYS 90 2HB LYS 90 10.220 -6.837 -9.379 775 2HB LYS 90 1HB LYS 90 9.623 -7.859 -8.072 776 1HG LYS 90 2HG LYS 90 8.913 -9.559 -9.597 777 2HG LYS 90 1HG LYS 90 9.133 -8.496 -10.987 778 1HD LYS 90 2HD LYS 90 11.015 -10.044 -10.863 779 2HD LYS 90 1HD LYS 90 11.580 -8.415 -10.489 780 1HE LYS 90 2HE LYS 90 11.758 -8.871 -8.185 781 2HE LYS 90 1HE LYS 90 10.702 -10.280 -8.289 782 1HZ LYS 90 1HZ LYS 90 12.532 -11.490 -8.480 783 2HZ LYS 90 2HZ LYS 90 13.517 -10.115 -8.636 784 3HZ LYS 90 3HZ LYS 90 12.781 -10.797 -10.007 785 H ARG 91 H ARG 91 6.983 -8.785 -10.500 786 HA ARG 91 HA ARG 91 4.817 -9.270 -8.582 787 1HB ARG 91 2HB ARG 91 5.445 -11.109 -10.877 788 2HB ARG 91 1HB ARG 91 3.876 -10.636 -10.227 789 1HG ARG 91 2HG ARG 91 4.312 -8.303 -11.076 790 2HG ARG 91 1HG ARG 91 5.759 -8.923 -11.872 791 1HD ARG 91 2HD ARG 91 4.088 -10.706 -12.870 792 2HD ARG 91 1HD ARG 91 2.874 -9.484 -12.487 793 HE ARG 91 HE ARG 91 4.778 -9.342 -14.655 794 1HH1 ARG 91 1HH2 ARG 91 3.105 -7.534 -12.243 795 2HH1 ARG 91 2HH2 ARG 91 3.125 -6.057 -13.147 796 1HH2 ARG 91 1HH1 ARG 91 4.813 -7.424 -15.850 797 2HH2 ARG 91 2HH1 ARG 91 4.092 -5.995 -15.189 798 H ILE 92 H ILE 92 4.593 -11.176 -7.319 799 HA ILE 92 HA ILE 92 7.165 -12.571 -6.777 800 HB ILE 92 HB ILE 92 4.569 -12.584 -5.210 801 1HG1 ILE 92 2HG1 ILE 92 7.168 -11.121 -4.648 802 2HG1 ILE 92 1HG1 ILE 92 5.742 -10.359 -5.355 803 1HG2 ILE 92 1HG2 ILE 92 6.091 -13.471 -3.401 804 2HG2 ILE 92 2HG2 ILE 92 7.352 -13.635 -4.623 805 3HG2 ILE 92 3HG2 ILE 92 5.866 -14.576 -4.756 806 1HD1 ILE 92 1HD1 ILE 92 5.849 -10.022 -2.896 807 2HD1 ILE 92 2HD1 ILE 92 5.805 -11.771 -2.672 808 3HD1 ILE 92 3HD1 ILE 92 4.419 -10.936 -3.375 809 H PHE 93 H PHE 93 3.900 -13.145 -7.939 810 HA PHE 93 HA PHE 93 4.361 -16.079 -7.961 811 1HB PHE 93 2HB PHE 93 1.936 -14.423 -8.723 812 2HB PHE 93 1HB PHE 93 1.998 -16.186 -8.727 813 HD1 PHE 93 1HD PHE 93 2.581 -13.235 -6.497 814 HD2 PHE 93 2HD PHE 93 1.493 -17.381 -6.767 815 HE1 PHE 93 1HE PHE 93 2.061 -13.257 -4.073 816 HE2 PHE 93 2HE PHE 93 0.971 -17.403 -4.343 817 HZ PHE 93 HZ PHE 93 1.255 -15.341 -2.996 818 H ARG 94 H ARG 94 4.663 -17.234 -9.855 819 HA ARG 94 HA ARG 94 5.190 -15.623 -12.299 820 1HB ARG 94 2HB ARG 94 6.001 -18.361 -11.344 821 2HB ARG 94 1HB ARG 94 6.067 -17.983 -13.065 822 1HG ARG 94 2HG ARG 94 7.265 -15.966 -11.224 823 2HG ARG 94 1HG ARG 94 8.131 -17.494 -11.383 824 1HD ARG 94 2HD ARG 94 8.895 -15.810 -13.047 825 2HD ARG 94 1HD ARG 94 8.203 -17.238 -13.816 826 HE ARG 94 HE ARG 94 6.369 -15.911 -14.553 827 1HH1 ARG 94 1HH2 ARG 94 8.417 -14.276 -12.311 828 2HH1 ARG 94 2HH2 ARG 94 7.706 -12.722 -12.591 829 1HH2 ARG 94 1HH1 ARG 94 5.428 -13.892 -14.929 830 2HH2 ARG 94 2HH1 ARG 94 6.013 -12.505 -14.071 831 H TYR 95 H TYR 95 2.728 -15.402 -12.443 832 HA TYR 95 HA TYR 95 0.991 -17.572 -12.934 833 1HB TYR 95 2HB TYR 95 0.409 -15.084 -12.711 834 2HB TYR 95 1HB TYR 95 0.834 -14.940 -14.417 835 HD1 TYR 95 1HD TYR 95 -1.337 -16.860 -12.055 836 HD2 TYR 95 2HD TYR 95 -0.716 -15.535 -16.094 837 HE1 TYR 95 1HE TYR 95 -3.573 -17.728 -12.683 838 HE2 TYR 95 2HE TYR 95 -2.953 -16.403 -16.723 839 HH TYR 95 HH TYR 95 -5.146 -16.887 -15.497 Start of MODEL 12 1 H ALA 1 H ALA 1 -16.899 -9.230 8.711 2 HA ALA 1 HA ALA 1 -18.327 -11.082 10.227 3 1HB ALA 1 1HB ALA 1 -19.390 -9.035 9.518 4 2HB ALA 1 2HB ALA 1 -20.337 -10.373 8.866 5 3HB ALA 1 3HB ALA 1 -19.233 -9.482 7.820 6 H GLY 2 H GLY 2 -19.197 -11.102 6.822 7 1HA GLY 2 2HA GLY 2 -18.206 -13.821 6.387 8 2HA GLY 2 1HA GLY 2 -19.958 -13.728 6.576 9 H TYR 3 H TYR 3 -17.475 -11.788 4.859 10 HA TYR 3 HA TYR 3 -19.322 -11.209 2.686 11 1HB TYR 3 2HB TYR 3 -17.429 -10.072 1.654 12 2HB TYR 3 1HB TYR 3 -17.477 -9.666 3.371 13 HD1 TYR 3 1HD TYR 3 -15.683 -10.244 4.827 14 HD2 TYR 3 2HD TYR 3 -15.846 -11.880 0.859 15 HE1 TYR 3 1HE TYR 3 -13.389 -11.140 5.101 16 HE2 TYR 3 2HE TYR 3 -13.554 -12.777 1.134 17 HH TYR 3 HH TYR 3 -12.012 -12.999 4.117 18 H THR 4 H THR 4 -19.130 -11.987 0.505 19 HA THR 4 HA THR 4 -17.618 -14.565 0.249 20 HB THR 4 HB THR 4 -19.426 -15.409 -1.148 21 HG1 THR 4 1HG THR 4 -20.277 -13.709 -2.148 22 1HG2 THR 4 1HG2 THR 4 -20.421 -14.170 1.432 23 2HG2 THR 4 2HG2 THR 4 -19.685 -15.762 1.249 24 3HG2 THR 4 3HG2 THR 4 -21.265 -15.434 0.539 25 H GLU 5 H GLU 5 -17.612 -15.081 -2.317 26 HA GLU 5 HA GLU 5 -15.801 -13.335 -3.533 27 1HB GLU 5 2HB GLU 5 -17.820 -15.241 -4.729 28 2HB GLU 5 1HB GLU 5 -16.682 -14.341 -5.732 29 1HG GLU 5 2HG GLU 5 -15.835 -16.610 -5.123 30 2HG GLU 5 1HG GLU 5 -14.793 -15.315 -4.533 31 H ILE 6 H ILE 6 -19.349 -13.414 -4.038 32 HA ILE 6 HA ILE 6 -19.544 -11.264 -5.839 33 HB ILE 6 HB ILE 6 -21.453 -11.942 -3.580 34 1HG1 ILE 6 2HG1 ILE 6 -21.542 -12.824 -6.477 35 2HG1 ILE 6 1HG1 ILE 6 -20.832 -13.808 -5.197 36 1HG2 ILE 6 1HG2 ILE 6 -23.128 -10.922 -5.176 37 2HG2 ILE 6 2HG2 ILE 6 -21.766 -10.351 -6.140 38 3HG2 ILE 6 3HG2 ILE 6 -21.983 -9.771 -4.489 39 1HD1 ILE 6 1HD1 ILE 6 -22.984 -13.746 -3.970 40 2HD1 ILE 6 2HD1 ILE 6 -23.173 -14.459 -5.572 41 3HD1 ILE 6 3HD1 ILE 6 -23.691 -12.799 -5.279 42 H GLU 7 H GLU 7 -19.848 -11.071 -2.268 43 HA GLU 7 HA GLU 7 -20.018 -8.301 -1.994 44 1HB GLU 7 2HB GLU 7 -18.670 -10.407 -0.303 45 2HB GLU 7 1HB GLU 7 -18.619 -8.707 0.168 46 1HG GLU 7 2HG GLU 7 -20.539 -9.937 1.194 47 2HG GLU 7 1HG GLU 7 -21.052 -8.589 0.180 48 H LYS 8 H LYS 8 -16.948 -10.145 -1.853 49 HA LYS 8 HA LYS 8 -15.142 -8.037 -1.866 50 1HB LYS 8 2HB LYS 8 -15.096 -10.815 -2.944 51 2HB LYS 8 1HB LYS 8 -13.847 -9.730 -3.548 52 1HG LYS 8 2HG LYS 8 -13.233 -9.170 -1.200 53 2HG LYS 8 1HG LYS 8 -14.435 -10.328 -0.632 54 1HD LYS 8 2HD LYS 8 -12.540 -11.671 -0.624 55 2HD LYS 8 1HD LYS 8 -13.131 -11.981 -2.255 56 1HE LYS 8 2HE LYS 8 -10.758 -11.502 -2.386 57 2HE LYS 8 1HE LYS 8 -11.631 -10.133 -3.075 58 1HZ LYS 8 1HZ LYS 8 -11.393 -9.695 -0.334 59 2HZ LYS 8 2HZ LYS 8 -10.655 -8.832 -1.597 60 3HZ LYS 8 3HZ LYS 8 -9.862 -10.160 -0.894 61 H LEU 9 H LEU 9 -16.731 -9.452 -4.750 62 HA LEU 9 HA LEU 9 -15.428 -7.791 -6.654 63 1HB LEU 9 2HB LEU 9 -17.112 -9.837 -6.915 64 2HB LEU 9 1HB LEU 9 -18.301 -8.544 -7.065 65 HG LEU 9 HG LEU 9 -15.802 -8.887 -8.750 66 1HD1 LEU 9 1HD1 LEU 9 -17.359 -9.310 -10.570 67 2HD1 LEU 9 2HD1 LEU 9 -18.735 -9.003 -9.510 68 3HD1 LEU 9 3HD1 LEU 9 -17.720 -10.421 -9.249 69 1HD2 LEU 9 1HD2 LEU 9 -16.112 -6.546 -8.553 70 2HD2 LEU 9 2HD2 LEU 9 -17.869 -6.692 -8.560 71 3HD2 LEU 9 3HD2 LEU 9 -16.955 -6.963 -10.045 72 H GLU 10 H GLU 10 -18.642 -7.330 -5.138 73 HA GLU 10 HA GLU 10 -19.291 -4.853 -6.253 74 1HB GLU 10 2HB GLU 10 -20.717 -6.243 -4.695 75 2HB GLU 10 1HB GLU 10 -19.774 -5.591 -3.357 76 1HG GLU 10 2HG GLU 10 -21.269 -3.881 -3.331 77 2HG GLU 10 1HG GLU 10 -20.462 -3.311 -4.793 78 H ILE 11 H ILE 11 -17.746 -5.226 -3.035 79 HA ILE 11 HA ILE 11 -17.090 -2.454 -2.803 80 HB ILE 11 HB ILE 11 -15.255 -3.551 -1.173 81 1HG1 ILE 11 2HG1 ILE 11 -17.327 -5.720 -1.118 82 2HG1 ILE 11 1HG1 ILE 11 -16.028 -5.835 -2.305 83 1HG2 ILE 11 1HG2 ILE 11 -17.161 -3.783 0.514 84 2HG2 ILE 11 2HG2 ILE 11 -18.255 -3.404 -0.816 85 3HG2 ILE 11 3HG2 ILE 11 -17.044 -2.228 -0.308 86 1HD1 ILE 11 1HD1 ILE 11 -14.368 -6.001 -0.677 87 2HD1 ILE 11 2HD1 ILE 11 -15.695 -6.880 0.083 88 3HD1 ILE 11 3HD1 ILE 11 -15.355 -5.215 0.556 89 H VAL 12 H VAL 12 -14.805 -5.157 -3.397 90 HA VAL 12 HA VAL 12 -12.490 -3.802 -3.900 91 HB VAL 12 HB VAL 12 -13.599 -6.063 -5.583 92 1HG1 VAL 12 1HG1 VAL 12 -11.104 -6.479 -5.971 93 2HG1 VAL 12 2HG1 VAL 12 -10.842 -4.841 -5.370 94 3HG1 VAL 12 3HG1 VAL 12 -11.803 -5.102 -6.824 95 1HG2 VAL 12 1HG2 VAL 12 -11.516 -6.286 -3.419 96 2HG2 VAL 12 2HG2 VAL 12 -12.613 -7.522 -4.031 97 3HG2 VAL 12 3HG2 VAL 12 -13.223 -6.243 -2.982 98 H LYS 13 H LYS 13 -15.215 -3.962 -6.181 99 HA LYS 13 HA LYS 13 -13.695 -2.462 -8.167 100 1HB LYS 13 2HB LYS 13 -15.611 -4.136 -8.627 101 2HB LYS 13 1HB LYS 13 -16.692 -2.816 -8.181 102 1HG LYS 13 2HG LYS 13 -16.526 -2.455 -10.471 103 2HG LYS 13 1HG LYS 13 -15.203 -1.444 -9.895 104 1HD LYS 13 2HD LYS 13 -14.112 -2.659 -11.549 105 2HD LYS 13 1HD LYS 13 -13.803 -3.683 -10.147 106 1HE LYS 13 2HE LYS 13 -16.033 -4.861 -10.807 107 2HE LYS 13 1HE LYS 13 -15.792 -4.088 -12.373 108 1HZ LYS 13 1HZ LYS 13 -13.981 -5.342 -12.822 109 2HZ LYS 13 2HZ LYS 13 -14.772 -6.438 -11.793 110 3HZ LYS 13 3HZ LYS 13 -13.509 -5.471 -11.198 111 H ASP 14 H ASP 14 -16.246 -1.698 -5.813 112 HA ASP 14 HA ASP 14 -16.385 1.080 -6.720 113 1HB ASP 14 2HB ASP 14 -17.497 -0.207 -4.211 114 2HB ASP 14 1HB ASP 14 -17.935 1.379 -4.845 115 H HIS 15 H HIS 15 -15.612 -0.237 -3.500 116 HA HIS 15 HA HIS 15 -14.555 1.932 -2.251 117 1HB HIS 15 2HB HIS 15 -13.610 0.478 -0.740 118 2HB HIS 15 1HB HIS 15 -14.662 -0.644 -1.598 119 HD1 HIS 15 1HD HIS 15 -11.460 -0.695 -0.317 120 HD2 HIS 15 2HD HIS 15 -12.895 -1.497 -4.156 121 HE1 HIS 15 1HE HIS 15 -9.698 -2.107 -1.463 122 HE2 HIS 15 2HE HIS 15 -10.561 -2.602 -3.795 123 H LEU 16 H LEU 16 -12.755 0.007 -4.658 124 HA LEU 16 HA LEU 16 -10.226 1.050 -4.260 125 1HB LEU 16 2HB LEU 16 -9.702 0.557 -6.555 126 2HB LEU 16 1HB LEU 16 -10.817 -0.670 -5.967 127 HG LEU 16 HG LEU 16 -12.676 0.846 -6.960 128 1HD1 LEU 16 1HD1 LEU 16 -10.326 2.366 -7.676 129 2HD1 LEU 16 2HD1 LEU 16 -12.016 2.744 -7.997 130 3HD1 LEU 16 3HD1 LEU 16 -11.097 1.783 -9.148 131 1HD2 LEU 16 1HD2 LEU 16 -11.721 -1.389 -7.854 132 2HD2 LEU 16 2HD2 LEU 16 -10.824 -0.399 -8.999 133 3HD2 LEU 16 3HD2 LEU 16 -12.586 -0.369 -9.000 134 H LEU 17 H LEU 17 -12.909 2.731 -5.909 135 HA LEU 17 HA LEU 17 -11.135 4.922 -6.663 136 1HB LEU 17 2HB LEU 17 -13.771 4.095 -7.381 137 2HB LEU 17 1HB LEU 17 -13.879 5.754 -6.793 138 HG LEU 17 HG LEU 17 -11.789 4.899 -8.807 139 1HD1 LEU 17 1HD1 LEU 17 -14.032 4.425 -9.726 140 2HD1 LEU 17 2HD1 LEU 17 -13.289 5.800 -10.542 141 3HD1 LEU 17 3HD1 LEU 17 -14.540 6.066 -9.328 142 1HD2 LEU 17 1HD2 LEU 17 -11.387 7.011 -7.609 143 2HD2 LEU 17 2HD2 LEU 17 -13.007 7.569 -8.025 144 3HD2 LEU 17 3HD2 LEU 17 -11.802 7.338 -9.291 145 HA PRO 18 HA PRO 18 -13.382 7.427 -3.276 146 1HB PRO 18 2HB PRO 18 -14.891 5.561 -1.583 147 2HB PRO 18 1HB PRO 18 -15.456 7.015 -2.423 148 1HG PRO 18 2HG PRO 18 -16.181 4.523 -3.161 149 2HG PRO 18 1HG PRO 18 -16.026 5.863 -4.311 150 1HD PRO 18 2HD PRO 18 -14.102 3.626 -3.761 151 2HD PRO 18 1HD PRO 18 -14.573 4.341 -5.312 152 H LYS 19 H LYS 19 -12.786 4.149 -1.933 153 HA LYS 19 HA LYS 19 -11.764 4.925 0.563 154 1HB LYS 19 2HB LYS 19 -12.148 2.545 -0.462 155 2HB LYS 19 1HB LYS 19 -10.463 2.682 -0.966 156 1HG LYS 19 2HG LYS 19 -10.036 3.386 1.519 157 2HG LYS 19 1HG LYS 19 -11.602 2.635 1.822 158 1HD LYS 19 2HD LYS 19 -10.221 0.797 2.122 159 2HD LYS 19 1HD LYS 19 -10.545 0.651 0.394 160 1HE LYS 19 2HE LYS 19 -8.183 0.441 0.602 161 2HE LYS 19 1HE LYS 19 -8.447 2.092 0.043 162 1HZ LYS 19 1HZ LYS 19 -8.585 2.050 2.844 163 2HZ LYS 19 2HZ LYS 19 -7.453 2.841 1.854 164 3HZ LYS 19 3HZ LYS 19 -7.166 1.249 2.374 165 H GLN 20 H GLN 20 -10.063 4.742 -2.553 166 HA GLN 20 HA GLN 20 -7.506 5.519 -1.365 167 1HB GLN 20 2HB GLN 20 -8.441 5.296 -4.236 168 2HB GLN 20 1HB GLN 20 -6.785 5.676 -3.763 169 1HG GLN 20 2HG GLN 20 -6.476 3.556 -2.736 170 2HG GLN 20 1HG GLN 20 -8.207 3.215 -2.741 171 1HE2 GLN 20 1HE2 GLN 20 -6.389 4.579 -5.496 172 2HE2 GLN 20 2HE2 GLN 20 -6.626 3.247 -6.522 173 H ILE 21 H ILE 21 -9.934 7.141 -3.436 174 HA ILE 21 HA ILE 21 -8.553 9.595 -3.684 175 HB ILE 21 HB ILE 21 -10.815 8.707 -4.769 176 1HG1 ILE 21 2HG1 ILE 21 -11.333 11.121 -5.361 177 2HG1 ILE 21 1HG1 ILE 21 -10.092 11.596 -4.203 178 1HG2 ILE 21 1HG2 ILE 21 -11.943 8.943 -2.461 179 2HG2 ILE 21 2HG2 ILE 21 -12.797 9.617 -3.848 180 3HG2 ILE 21 3HG2 ILE 21 -11.904 10.679 -2.759 181 1HD1 ILE 21 1HD1 ILE 21 -8.382 10.938 -5.564 182 2HD1 ILE 21 2HD1 ILE 21 -9.588 11.132 -6.835 183 3HD1 ILE 21 3HD1 ILE 21 -9.262 9.534 -6.169 184 H LYS 22 H LYS 22 -10.713 8.506 -1.064 185 HA LYS 22 HA LYS 22 -10.834 11.073 0.216 186 1HB LYS 22 2HB LYS 22 -11.278 8.266 1.232 187 2HB LYS 22 1HB LYS 22 -11.489 9.687 2.254 188 1HG LYS 22 2HG LYS 22 -13.100 10.600 0.567 189 2HG LYS 22 1HG LYS 22 -12.960 9.086 -0.327 190 1HD LYS 22 2HD LYS 22 -14.813 8.593 0.974 191 2HD LYS 22 1HD LYS 22 -13.538 8.031 2.055 192 1HE LYS 22 2HE LYS 22 -13.548 10.376 3.068 193 2HE LYS 22 1HE LYS 22 -15.035 10.658 2.164 194 1HZ LYS 22 1HZ LYS 22 -16.159 9.574 3.711 195 2HZ LYS 22 2HZ LYS 22 -14.733 9.352 4.608 196 3HZ LYS 22 3HZ LYS 22 -15.218 8.183 3.475 197 H GLU 23 H GLU 23 -9.356 8.303 1.855 198 HA GLU 23 HA GLU 23 -7.707 9.632 3.591 199 1HB GLU 23 2HB GLU 23 -7.944 7.026 2.871 200 2HB GLU 23 1HB GLU 23 -6.358 7.377 2.188 201 1HG GLU 23 2HG GLU 23 -7.229 7.713 5.070 202 2HG GLU 23 1HG GLU 23 -6.014 6.600 4.443 203 H HIS 24 H HIS 24 -7.035 9.028 0.175 204 HA HIS 24 HA HIS 24 -4.443 10.401 0.308 205 1HB HIS 24 2HB HIS 24 -5.953 9.613 -2.193 206 2HB HIS 24 1HB HIS 24 -4.214 9.827 -1.995 207 HD1 HIS 24 1HD HIS 24 -6.522 7.876 0.317 208 HD2 HIS 24 2HD HIS 24 -3.338 7.180 -2.281 209 HE1 HIS 24 1HE HIS 24 -5.852 5.454 0.632 210 HE2 HIS 24 2HE HIS 24 -3.928 5.017 -0.959 211 H GLY 25 H GLY 25 -7.718 11.058 -0.832 212 1HA GLY 25 2HA GLY 25 -7.534 13.385 -2.265 213 2HA GLY 25 1HA GLY 25 -8.791 13.155 -1.052 214 H LEU 26 H LEU 26 -7.032 13.082 1.231 215 HA LEU 26 HA LEU 26 -7.020 15.651 2.164 216 1HB LEU 26 2HB LEU 26 -5.627 13.252 2.852 217 2HB LEU 26 1HB LEU 26 -4.457 14.566 2.919 218 HG LEU 26 HG LEU 26 -7.178 14.768 4.229 219 1HD1 LEU 26 1HD1 LEU 26 -6.125 12.871 5.272 220 2HD1 LEU 26 2HD1 LEU 26 -5.909 14.244 6.358 221 3HD1 LEU 26 3HD1 LEU 26 -4.571 13.702 5.344 222 1HD2 LEU 26 1HD2 LEU 26 -6.010 16.885 3.870 223 2HD2 LEU 26 2HD2 LEU 26 -4.534 16.222 4.572 224 3HD2 LEU 26 3HD2 LEU 26 -5.953 16.482 5.585 225 H LYS 27 H LYS 27 -4.562 14.295 -0.023 226 HA LYS 27 HA LYS 27 -3.231 16.943 -0.187 227 1HB LYS 27 2HB LYS 27 -2.581 14.270 -1.473 228 2HB LYS 27 1HB LYS 27 -1.619 15.736 -1.666 229 1HG LYS 27 2HG LYS 27 -1.375 15.817 0.840 230 2HG LYS 27 1HG LYS 27 -2.160 14.240 0.912 231 1HD LYS 27 2HD LYS 27 -0.366 13.438 -0.734 232 2HD LYS 27 1HD LYS 27 0.483 14.943 -0.373 233 1HE LYS 27 2HE LYS 27 -0.388 12.914 1.706 234 2HE LYS 27 1HE LYS 27 1.247 13.051 1.063 235 1HZ LYS 27 1HZ LYS 27 1.469 14.407 2.838 236 2HZ LYS 27 2HZ LYS 27 -0.182 14.803 2.901 237 3HZ LYS 27 3HZ LYS 27 0.833 15.559 1.767 238 H LYS 28 H LYS 28 -2.879 17.857 -2.416 239 HA LYS 28 HA LYS 28 -5.218 18.359 -3.822 240 1HB LYS 28 2HB LYS 28 -3.785 18.934 -5.771 241 2HB LYS 28 1HB LYS 28 -3.138 19.581 -4.263 242 1HG LYS 28 2HG LYS 28 -1.726 17.443 -4.128 243 2HG LYS 28 1HG LYS 28 -2.190 17.161 -5.806 244 1HD LYS 28 2HD LYS 28 -0.237 18.359 -6.142 245 2HD LYS 28 1HD LYS 28 -1.393 19.689 -6.089 246 1HE LYS 28 2HE LYS 28 0.481 20.231 -4.638 247 2HE LYS 28 1HE LYS 28 -0.932 19.916 -3.634 248 1HZ LYS 28 1HZ LYS 28 0.104 18.230 -2.668 249 2HZ LYS 28 2HZ LYS 28 1.524 18.670 -3.491 250 3HZ LYS 28 3HZ LYS 28 0.474 17.514 -4.160 251 H SER 29 H SER 29 -5.987 17.545 -5.942 252 HA SER 29 HA SER 29 -6.592 14.851 -6.049 253 1HB SER 29 2HB SER 29 -6.906 15.134 -8.501 254 2HB SER 29 1HB SER 29 -7.589 16.478 -7.590 255 HG SER 29 HG SER 29 -4.947 16.506 -8.604 256 H ASN 30 H ASN 30 -4.886 13.471 -5.508 257 HA ASN 30 HA ASN 30 -2.724 13.245 -7.566 258 1HB ASN 30 2HB ASN 30 -2.132 14.222 -5.190 259 2HB ASN 30 1HB ASN 30 -2.224 12.535 -4.685 260 1HD2 ASN 30 1HD2 ASN 30 -0.029 11.952 -4.495 261 2HD2 ASN 30 2HD2 ASN 30 1.113 12.123 -5.739 262 H LEU 31 H LEU 31 -4.838 11.690 -8.038 263 HA LEU 31 HA LEU 31 -3.798 9.011 -7.519 264 1HB LEU 31 2HB LEU 31 -5.160 9.574 -5.456 265 2HB LEU 31 1HB LEU 31 -6.576 9.645 -6.504 266 HG LEU 31 HG LEU 31 -5.492 7.249 -7.277 267 1HD1 LEU 31 1HD1 LEU 31 -5.140 7.304 -4.277 268 2HD1 LEU 31 2HD1 LEU 31 -3.794 7.595 -5.379 269 3HD1 LEU 31 3HD1 LEU 31 -4.644 6.050 -5.414 270 1HD2 LEU 31 1HD2 LEU 31 -7.854 7.744 -6.611 271 2HD2 LEU 31 2HD2 LEU 31 -7.366 7.627 -4.920 272 3HD2 LEU 31 3HD2 LEU 31 -7.263 6.213 -5.969 273 H GLN 32 H GLN 32 -3.921 8.236 -9.565 274 HA GLN 32 HA GLN 32 -6.548 8.425 -10.973 275 1HB GLN 32 2HB GLN 32 -3.880 9.338 -11.895 276 2HB GLN 32 1HB GLN 32 -4.777 8.368 -13.063 277 1HG GLN 32 2HG GLN 32 -5.220 10.842 -13.232 278 2HG GLN 32 1HG GLN 32 -6.666 9.869 -12.963 279 1HE2 GLN 32 1HE2 GLN 32 -7.984 11.122 -11.614 280 2HE2 GLN 32 2HE2 GLN 32 -7.464 11.867 -10.181 281 H LEU 33 H LEU 33 -6.435 6.279 -9.680 282 HA LEU 33 HA LEU 33 -4.817 4.186 -10.977 283 1HB LEU 33 2HB LEU 33 -5.573 4.506 -8.408 284 2HB LEU 33 1HB LEU 33 -6.916 3.509 -8.962 285 HG LEU 33 HG LEU 33 -3.968 2.836 -9.188 286 1HD1 LEU 33 1HD1 LEU 33 -6.238 1.708 -7.527 287 2HD1 LEU 33 2HD1 LEU 33 -4.793 2.526 -6.931 288 3HD1 LEU 33 3HD1 LEU 33 -4.659 0.938 -7.688 289 1HD2 LEU 33 1HD2 LEU 33 -6.468 1.492 -10.228 290 2HD2 LEU 33 2HD2 LEU 33 -4.979 0.589 -9.949 291 3HD2 LEU 33 3HD2 LEU 33 -5.003 1.908 -11.117 292 H ARG 34 H ARG 34 -5.594 2.948 -12.618 293 HA ARG 34 HA ARG 34 -8.427 3.254 -13.413 294 1HB ARG 34 2HB ARG 34 -6.001 2.005 -14.717 295 2HB ARG 34 1HB ARG 34 -7.625 1.798 -15.377 296 1HG ARG 34 2HG ARG 34 -7.868 4.288 -15.429 297 2HG ARG 34 1HG ARG 34 -6.189 4.427 -14.911 298 1HD ARG 34 2HD ARG 34 -5.565 3.015 -16.929 299 2HD ARG 34 1HD ARG 34 -7.229 3.216 -17.481 300 HE ARG 34 HE ARG 34 -5.796 5.713 -16.854 301 1HH1 ARG 34 1HH2 ARG 34 -6.785 3.360 -19.178 302 2HH1 ARG 34 2HH2 ARG 34 -6.620 4.433 -20.526 303 1HH2 ARG 34 1HH1 ARG 34 -5.577 7.122 -18.602 304 2HH2 ARG 34 2HH1 ARG 34 -5.935 6.561 -20.202 305 H ASP 35 H ASP 35 -9.804 1.394 -13.735 306 HA ASP 35 HA ASP 35 -9.713 -0.533 -11.639 307 1HB ASP 35 2HB ASP 35 -11.198 -0.590 -14.283 308 2HB ASP 35 1HB ASP 35 -11.501 -1.697 -12.944 309 H GLN 36 H GLN 36 -8.844 -0.832 -15.092 310 HA GLN 36 HA GLN 36 -8.235 -3.537 -15.245 311 1HB GLN 36 2HB GLN 36 -6.205 -2.639 -16.720 312 2HB GLN 36 1HB GLN 36 -7.872 -2.449 -17.262 313 1HG GLN 36 2HG GLN 36 -7.958 -0.179 -16.577 314 2HG GLN 36 1HG GLN 36 -6.504 -0.338 -15.592 315 1HE2 GLN 36 1HE2 GLN 36 -4.593 -1.376 -17.182 316 2HE2 GLN 36 2HE2 GLN 36 -4.375 -0.471 -18.602 317 H ALA 37 H ALA 37 -6.092 -0.968 -13.981 318 HA ALA 37 HA ALA 37 -3.910 -2.700 -13.337 319 1HB ALA 37 1HB ALA 37 -3.456 -0.808 -11.581 320 2HB ALA 37 2HB ALA 37 -4.803 0.006 -12.377 321 3HB ALA 37 3HB ALA 37 -3.362 -0.421 -13.300 322 H ILE 38 H ILE 38 -6.452 -1.362 -11.187 323 HA ILE 38 HA ILE 38 -5.840 -2.659 -8.819 324 HB ILE 38 HB ILE 38 -8.469 -1.989 -10.126 325 1HG1 ILE 38 2HG1 ILE 38 -6.782 -0.393 -8.863 326 2HG1 ILE 38 1HG1 ILE 38 -8.516 -0.227 -8.599 327 1HG2 ILE 38 1HG2 ILE 38 -9.164 -3.919 -8.962 328 2HG2 ILE 38 2HG2 ILE 38 -9.478 -2.614 -7.819 329 3HG2 ILE 38 3HG2 ILE 38 -8.048 -3.627 -7.628 330 1HD1 ILE 38 1HD1 ILE 38 -8.421 -1.356 -6.515 331 2HD1 ILE 38 2HD1 ILE 38 -7.014 -0.294 -6.504 332 3HD1 ILE 38 3HD1 ILE 38 -6.818 -2.011 -6.849 333 H LEU 39 H LEU 39 -7.442 -4.062 -11.660 334 HA LEU 39 HA LEU 39 -7.931 -6.627 -10.417 335 1HB LEU 39 2HB LEU 39 -7.807 -5.746 -13.311 336 2HB LEU 39 1HB LEU 39 -8.229 -7.386 -12.821 337 HG LEU 39 HG LEU 39 -9.688 -5.055 -11.598 338 1HD1 LEU 39 1HD1 LEU 39 -11.395 -5.354 -13.448 339 2HD1 LEU 39 2HD1 LEU 39 -10.172 -6.269 -14.330 340 3HD1 LEU 39 3HD1 LEU 39 -9.896 -4.571 -13.943 341 1HD2 LEU 39 1HD2 LEU 39 -10.396 -7.930 -12.273 342 2HD2 LEU 39 2HD2 LEU 39 -11.525 -6.769 -11.580 343 3HD2 LEU 39 3HD2 LEU 39 -10.105 -7.269 -10.665 344 H ASP 40 H ASP 40 -5.329 -5.307 -12.424 345 HA ASP 40 HA ASP 40 -3.895 -7.732 -12.831 346 1HB ASP 40 2HB ASP 40 -3.059 -4.836 -12.717 347 2HB ASP 40 1HB ASP 40 -1.876 -6.118 -12.979 348 H ILE 41 H ILE 41 -3.252 -5.198 -10.363 349 HA ILE 41 HA ILE 41 -1.246 -6.487 -8.947 350 HB ILE 41 HB ILE 41 -1.805 -4.317 -8.201 351 1HG1 ILE 41 2HG1 ILE 41 -3.022 -6.016 -6.019 352 2HG1 ILE 41 1HG1 ILE 41 -1.302 -6.096 -6.399 353 1HG2 ILE 41 1HG2 ILE 41 -3.957 -3.556 -7.602 354 2HG2 ILE 41 2HG2 ILE 41 -4.580 -5.191 -7.401 355 3HG2 ILE 41 3HG2 ILE 41 -4.240 -4.569 -9.014 356 1HD1 ILE 41 1HD1 ILE 41 -2.027 -4.438 -4.559 357 2HD1 ILE 41 2HD1 ILE 41 -2.669 -3.457 -5.875 358 3HD1 ILE 41 3HD1 ILE 41 -0.947 -3.831 -5.814 359 H ILE 42 H ILE 42 -4.673 -6.713 -7.870 360 HA ILE 42 HA ILE 42 -4.354 -8.824 -6.086 361 HB ILE 42 HB ILE 42 -6.505 -7.712 -6.341 362 1HG1 ILE 42 2HG1 ILE 42 -6.913 -10.581 -7.207 363 2HG1 ILE 42 1HG1 ILE 42 -6.330 -10.168 -5.595 364 1HG2 ILE 42 1HG2 ILE 42 -6.707 -9.128 -9.014 365 2HG2 ILE 42 2HG2 ILE 42 -6.329 -7.416 -8.819 366 3HG2 ILE 42 3HG2 ILE 42 -7.898 -8.036 -8.307 367 1HD1 ILE 42 1HD1 ILE 42 -8.786 -10.439 -5.611 368 2HD1 ILE 42 2HD1 ILE 42 -8.914 -9.174 -6.832 369 3HD1 ILE 42 3HD1 ILE 42 -8.330 -8.783 -5.214 370 H ARG 43 H ARG 43 -4.661 -9.007 -9.618 371 HA ARG 43 HA ARG 43 -4.899 -11.807 -9.889 372 1HB ARG 43 2HB ARG 43 -4.909 -9.943 -11.711 373 2HB ARG 43 1HB ARG 43 -3.165 -10.201 -11.760 374 1HG ARG 43 2HG ARG 43 -3.767 -12.721 -11.982 375 2HG ARG 43 1HG ARG 43 -5.374 -12.143 -12.422 376 1HD ARG 43 2HD ARG 43 -4.307 -12.300 -14.504 377 2HD ARG 43 1HD ARG 43 -4.091 -10.598 -14.096 378 HE ARG 43 HE ARG 43 -1.819 -11.692 -13.065 379 1HH1 ARG 43 1HH2 ARG 43 -3.479 -12.060 -16.066 380 2HH1 ARG 43 2HH2 ARG 43 -2.041 -12.391 -16.972 381 1HH2 ARG 43 1HH1 ARG 43 0.068 -12.120 -14.234 382 2HH2 ARG 43 2HH1 ARG 43 -0.034 -12.425 -15.936 383 H TYR 44 H TYR 44 -1.954 -9.827 -9.448 384 HA TYR 44 HA TYR 44 -0.233 -12.195 -9.612 385 1HB TYR 44 2HB TYR 44 0.588 -9.537 -8.444 386 2HB TYR 44 1HB TYR 44 1.579 -10.714 -9.303 387 HD1 TYR 44 1HD TYR 44 -0.049 -11.338 -11.674 388 HD2 TYR 44 2HD TYR 44 0.651 -7.571 -9.729 389 HE1 TYR 44 1HE TYR 44 -0.494 -10.155 -13.803 390 HE2 TYR 44 2HE TYR 44 0.205 -6.389 -11.863 391 HH TYR 44 HH TYR 44 -0.628 -8.198 -14.824 392 H TYR 45 H TYR 45 -1.578 -10.143 -7.056 393 HA TYR 45 HA TYR 45 -0.202 -11.590 -4.932 394 1HB TYR 45 2HB TYR 45 -2.444 -9.561 -4.966 395 2HB TYR 45 1HB TYR 45 -1.847 -10.288 -3.475 396 HD1 TYR 45 1HD TYR 45 -0.125 -9.187 -2.346 397 HD2 TYR 45 2HD TYR 45 -0.510 -8.682 -6.589 398 HE1 TYR 45 1HE TYR 45 1.765 -7.586 -2.332 399 HE2 TYR 45 2HE TYR 45 1.372 -7.085 -6.580 400 HH TYR 45 HH TYR 45 2.734 -5.873 -3.604 401 H THR 46 H THR 46 -3.706 -11.207 -5.556 402 HA THR 46 HA THR 46 -5.471 -12.690 -5.141 403 HB THR 46 HB THR 46 -3.666 -15.014 -5.693 404 HG1 THR 46 1HG THR 46 -2.867 -14.031 -7.349 405 1HG2 THR 46 1HG2 THR 46 -6.325 -14.119 -6.839 406 2HG2 THR 46 2HG2 THR 46 -6.133 -15.238 -5.490 407 3HG2 THR 46 3HG2 THR 46 -5.552 -15.683 -7.095 408 H ARG 47 H ARG 47 -2.927 -12.442 -3.126 409 HA ARG 47 HA ARG 47 -3.220 -14.807 -1.488 410 1HB ARG 47 2HB ARG 47 -2.091 -13.309 0.273 411 2HB ARG 47 1HB ARG 47 -1.181 -13.628 -1.200 412 1HG ARG 47 2HG ARG 47 -1.081 -11.419 -1.660 413 2HG ARG 47 1HG ARG 47 -2.839 -11.298 -1.615 414 1HD ARG 47 2HD ARG 47 -1.676 -9.816 0.050 415 2HD ARG 47 1HD ARG 47 -2.816 -10.946 0.781 416 HE ARG 47 HE ARG 47 -0.456 -12.334 0.912 417 1HH1 ARG 47 1HH2 ARG 47 -1.424 -9.124 1.719 418 2HH1 ARG 47 2HH2 ARG 47 -0.280 -8.961 3.010 419 1HH2 ARG 47 1HH1 ARG 47 1.043 -12.139 2.593 420 2HH2 ARG 47 2HH1 ARG 47 1.116 -10.668 3.504 421 H GLU 48 H GLU 48 -5.509 -15.000 -1.199 422 HA GLU 48 HA GLU 48 -7.202 -12.948 -0.191 423 1HB GLU 48 2HB GLU 48 -8.752 -14.737 0.373 424 2HB GLU 48 1HB GLU 48 -7.989 -15.113 -1.172 425 1HG GLU 48 2HG GLU 48 -6.266 -16.448 0.186 426 2HG GLU 48 1HG GLU 48 -7.388 -16.300 1.540 427 H ALA 49 H ALA 49 -7.857 -12.453 1.936 428 HA ALA 49 HA ALA 49 -7.157 -13.797 4.306 429 1HB ALA 49 1HB ALA 49 -4.852 -13.513 4.062 430 2HB ALA 49 2HB ALA 49 -5.274 -12.069 4.982 431 3HB ALA 49 3HB ALA 49 -5.029 -11.963 3.238 432 H GLY 50 H GLY 50 -9.430 -12.637 3.897 433 1HA GLY 50 2HA GLY 50 -10.935 -11.077 4.804 434 2HA GLY 50 1HA GLY 50 -9.621 -10.521 5.845 435 H VAL 51 H VAL 51 -11.695 -9.209 3.878 436 HA VAL 51 HA VAL 51 -10.288 -7.929 1.787 437 HB VAL 51 HB VAL 51 -12.024 -6.082 2.107 438 1HG1 VAL 51 1HG1 VAL 51 -13.848 -7.517 1.327 439 2HG1 VAL 51 2HG1 VAL 51 -13.027 -8.942 1.967 440 3HG1 VAL 51 3HG1 VAL 51 -12.325 -8.052 0.616 441 1HG2 VAL 51 1HG2 VAL 51 -12.963 -8.016 4.252 442 2HG2 VAL 51 2HG2 VAL 51 -13.855 -6.605 3.683 443 3HG2 VAL 51 3HG2 VAL 51 -12.328 -6.397 4.541 444 H ARG 52 H ARG 52 -10.590 -7.018 5.211 445 HA ARG 52 HA ARG 52 -9.554 -4.474 5.293 446 1HB ARG 52 2HB ARG 52 -10.094 -5.968 7.275 447 2HB ARG 52 1HB ARG 52 -8.495 -6.679 7.076 448 1HG ARG 52 2HG ARG 52 -8.309 -4.926 8.728 449 2HG ARG 52 1HG ARG 52 -7.519 -4.362 7.257 450 1HD ARG 52 2HD ARG 52 -9.153 -2.788 6.819 451 2HD ARG 52 1HD ARG 52 -10.427 -3.737 7.584 452 HE ARG 52 HE ARG 52 -9.953 -2.606 9.589 453 1HH1 ARG 52 1HH2 ARG 52 -7.286 -2.504 7.405 454 2HH1 ARG 52 2HH2 ARG 52 -6.334 -1.463 8.409 455 1HH2 ARG 52 1HH1 ARG 52 -8.724 -1.247 10.911 456 2HH2 ARG 52 2HH1 ARG 52 -7.147 -0.750 10.394 457 H SER 53 H SER 53 -7.575 -7.440 5.002 458 HA SER 53 HA SER 53 -5.083 -6.030 4.776 459 1HB SER 53 2HB SER 53 -5.604 -8.718 3.528 460 2HB SER 53 1HB SER 53 -4.118 -8.113 4.253 461 HG SER 53 HG SER 53 -4.829 -8.695 6.147 462 H LEU 54 H LEU 54 -7.198 -7.497 2.300 463 HA LEU 54 HA LEU 54 -5.719 -6.816 0.019 464 1HB LEU 54 2HB LEU 54 -7.823 -8.137 -0.038 465 2HB LEU 54 1HB LEU 54 -8.738 -6.674 0.322 466 HG LEU 54 HG LEU 54 -7.885 -5.637 -1.759 467 1HD1 LEU 54 1HD1 LEU 54 -6.851 -7.451 -3.385 468 2HD1 LEU 54 2HD1 LEU 54 -6.362 -8.223 -1.877 469 3HD1 LEU 54 3HD1 LEU 54 -5.816 -6.587 -2.250 470 1HD2 LEU 54 1HD2 LEU 54 -9.994 -7.062 -1.671 471 2HD2 LEU 54 2HD2 LEU 54 -9.033 -8.376 -2.349 472 3HD2 LEU 54 3HD2 LEU 54 -9.267 -6.891 -3.269 473 H GLU 55 H GLU 55 -8.235 -4.842 1.614 474 HA GLU 55 HA GLU 55 -7.944 -2.521 0.029 475 1HB GLU 55 2HB GLU 55 -8.607 -2.761 2.983 476 2HB GLU 55 1HB GLU 55 -8.829 -1.298 2.024 477 1HG GLU 55 2HG GLU 55 -10.517 -2.281 0.696 478 2HG GLU 55 1HG GLU 55 -10.066 -3.916 1.175 479 H ARG 56 H ARG 56 -6.111 -3.617 2.872 480 HA ARG 56 HA ARG 56 -4.555 -1.234 3.178 481 1HB ARG 56 2HB ARG 56 -4.742 -3.243 4.782 482 2HB ARG 56 1HB ARG 56 -3.528 -4.015 3.761 483 1HG ARG 56 2HG ARG 56 -2.132 -1.887 4.078 484 2HG ARG 56 1HG ARG 56 -3.261 -1.469 5.366 485 1HD ARG 56 2HD ARG 56 -1.483 -2.613 6.455 486 2HD ARG 56 1HD ARG 56 -2.782 -3.799 6.328 487 HE ARG 56 HE ARG 56 -1.314 -4.229 4.033 488 1HH1 ARG 56 1HH2 ARG 56 -0.620 -3.969 7.400 489 2HH1 ARG 56 2HH2 ARG 56 0.733 -5.050 7.341 490 1HH2 ARG 56 1HH1 ARG 56 0.448 -5.643 3.936 491 2HH2 ARG 56 2HH1 ARG 56 1.337 -5.998 5.380 492 H GLN 57 H GLN 57 -4.079 -4.138 1.190 493 HA GLN 57 HA GLN 57 -1.453 -3.480 0.269 494 1HB GLN 57 2HB GLN 57 -2.689 -5.701 -0.008 495 2HB GLN 57 1HB GLN 57 -3.545 -4.944 -1.351 496 1HG GLN 57 2HG GLN 57 -1.662 -6.077 -2.308 497 2HG GLN 57 1HG GLN 57 -1.270 -4.358 -2.322 498 1HE2 GLN 57 1HE2 GLN 57 -1.183 -5.504 0.874 499 2HE2 GLN 57 2HE2 GLN 57 0.487 -5.776 0.992 500 H LEU 58 H LEU 58 -4.653 -2.873 -1.225 501 HA LEU 58 HA LEU 58 -3.585 -1.379 -3.437 502 1HB LEU 58 2HB LEU 58 -6.337 -1.010 -2.236 503 2HB LEU 58 1HB LEU 58 -5.848 -0.785 -3.917 504 HG LEU 58 HG LEU 58 -5.862 -3.419 -2.417 505 1HD1 LEU 58 1HD1 LEU 58 -7.598 -3.926 -4.268 506 2HD1 LEU 58 2HD1 LEU 58 -7.695 -2.177 -4.468 507 3HD1 LEU 58 3HD1 LEU 58 -8.118 -2.911 -2.923 508 1HD2 LEU 58 1HD2 LEU 58 -5.485 -4.257 -4.843 509 2HD2 LEU 58 2HD2 LEU 58 -4.104 -3.568 -3.992 510 3HD2 LEU 58 3HD2 LEU 58 -4.974 -2.605 -5.186 511 H ALA 59 H ALA 59 -4.850 -0.404 -0.254 512 HA ALA 59 HA ALA 59 -4.633 2.410 -0.636 513 1HB ALA 59 1HB ALA 59 -4.013 0.987 1.964 514 2HB ALA 59 2HB ALA 59 -5.662 1.151 1.361 515 3HB ALA 59 3HB ALA 59 -4.716 2.589 1.745 516 H ALA 60 H ALA 60 -2.302 -0.074 0.271 517 HA ALA 60 HA ALA 60 -0.119 1.632 0.940 518 1HB ALA 60 1HB ALA 60 1.266 -0.307 0.705 519 2HB ALA 60 2HB ALA 60 0.120 -1.072 -0.396 520 3HB ALA 60 3HB ALA 60 -0.288 -0.881 1.309 521 H ILE 61 H ILE 61 -0.535 -0.176 -2.154 522 HA ILE 61 HA ILE 61 1.509 1.157 -3.548 523 HB ILE 61 HB ILE 61 -0.100 -0.825 -4.256 524 1HG1 ILE 61 2HG1 ILE 61 1.078 1.214 -6.168 525 2HG1 ILE 61 1HG1 ILE 61 1.880 -0.216 -5.519 526 1HG2 ILE 61 1HG2 ILE 61 -1.359 1.467 -5.779 527 2HG2 ILE 61 2HG2 ILE 61 -2.086 0.776 -4.332 528 3HG2 ILE 61 3HG2 ILE 61 -1.856 -0.224 -5.760 529 1HD1 ILE 61 1HD1 ILE 61 -0.407 -0.095 -7.489 530 2HD1 ILE 61 2HD1 ILE 61 -0.026 -1.569 -6.600 531 3HD1 ILE 61 3HD1 ILE 61 1.166 -0.865 -7.692 532 H CYS 62 H CYS 62 -1.894 2.127 -3.169 533 HA CYS 62 HA CYS 62 -1.856 4.396 -4.862 534 1HB CYS 62 2HB CYS 62 -3.381 3.945 -2.280 535 2HB CYS 62 1HB CYS 62 -3.729 5.225 -3.441 536 HG CYS 62 HG CYS 62 -5.256 3.223 -4.089 537 H ARG 63 H ARG 63 -1.911 4.769 -1.314 538 HA ARG 63 HA ARG 63 -0.852 7.350 -1.226 539 1HB ARG 63 2HB ARG 63 -0.939 5.065 0.655 540 2HB ARG 63 1HB ARG 63 0.241 6.319 1.026 541 1HG ARG 63 2HG ARG 63 -1.563 8.024 0.877 542 2HG ARG 63 1HG ARG 63 -2.730 6.734 0.597 543 1HD ARG 63 2HD ARG 63 -0.933 6.657 3.011 544 2HD ARG 63 1HD ARG 63 -2.414 7.612 3.028 545 HE ARG 63 HE ARG 63 -3.020 4.983 2.085 546 1HH1 ARG 63 1HH2 ARG 63 -2.045 6.735 4.889 547 2HH1 ARG 63 2HH2 ARG 63 -2.800 5.640 5.999 548 1HH2 ARG 63 1HH1 ARG 63 -4.011 3.543 3.517 549 2HH2 ARG 63 2HH1 ARG 63 -3.914 3.832 5.222 550 H LYS 64 H LYS 64 1.028 4.293 -1.013 551 HA LYS 64 HA LYS 64 3.606 5.269 -0.784 552 1HB LYS 64 2HB LYS 64 2.969 2.841 -1.112 553 2HB LYS 64 1HB LYS 64 2.804 3.176 -2.834 554 1HG LYS 64 2HG LYS 64 5.007 2.388 -2.692 555 2HG LYS 64 1HG LYS 64 5.232 4.135 -2.628 556 1HD LYS 64 2HD LYS 64 5.507 4.099 -0.244 557 2HD LYS 64 1HD LYS 64 4.973 2.422 -0.143 558 1HE LYS 64 2HE LYS 64 7.453 2.648 0.016 559 2HE LYS 64 1HE LYS 64 6.947 1.676 -1.367 560 1HZ LYS 64 1HZ LYS 64 7.013 3.917 -2.605 561 2HZ LYS 64 2HZ LYS 64 8.475 3.113 -2.284 562 3HZ LYS 64 3HZ LYS 64 7.995 4.429 -1.321 563 H ALA 65 H ALA 65 1.529 5.260 -3.624 564 HA ALA 65 HA ALA 65 3.474 6.482 -5.388 565 1HB ALA 65 1HB ALA 65 0.522 6.833 -5.799 566 2HB ALA 65 2HB ALA 65 1.192 5.206 -5.897 567 3HB ALA 65 3HB ALA 65 1.779 6.466 -6.980 568 H ALA 66 H ALA 66 0.900 7.658 -3.233 569 HA ALA 66 HA ALA 66 0.970 10.400 -4.042 570 1HB ALA 66 1HB ALA 66 0.438 9.310 -1.261 571 2HB ALA 66 2HB ALA 66 -0.765 9.395 -2.546 572 3HB ALA 66 3HB ALA 66 -0.071 10.877 -1.889 573 H LYS 67 H LYS 67 2.917 8.591 -1.684 574 HA LYS 67 HA LYS 67 4.327 10.847 -0.628 575 1HB LYS 67 2HB LYS 67 4.303 8.564 0.401 576 2HB LYS 67 1HB LYS 67 5.333 8.001 -0.914 577 1HG LYS 67 2HG LYS 67 7.060 9.635 -0.280 578 2HG LYS 67 1HG LYS 67 6.029 10.227 1.024 579 1HD LYS 67 2HD LYS 67 6.196 8.192 2.231 580 2HD LYS 67 1HD LYS 67 6.816 7.317 0.831 581 1HE LYS 67 2HE LYS 67 8.594 7.865 2.506 582 2HE LYS 67 1HE LYS 67 8.905 8.562 0.916 583 1HZ LYS 67 1HZ LYS 67 8.227 9.875 3.419 584 2HZ LYS 67 2HZ LYS 67 7.497 10.513 2.025 585 3HZ LYS 67 3HZ LYS 67 9.188 10.419 2.133 586 H ALA 68 H ALA 68 4.959 8.717 -3.387 587 HA ALA 68 HA ALA 68 7.533 9.479 -4.117 588 1HB ALA 68 1HB ALA 68 6.900 8.999 -6.433 589 2HB ALA 68 2HB ALA 68 5.193 9.157 -6.021 590 3HB ALA 68 3HB ALA 68 6.141 7.826 -5.358 591 H ILE 69 H ILE 69 4.752 11.483 -3.934 592 HA ILE 69 HA ILE 69 5.353 13.453 -5.895 593 HB ILE 69 HB ILE 69 3.997 13.651 -3.199 594 1HG1 ILE 69 2HG1 ILE 69 2.834 12.319 -4.922 595 2HG1 ILE 69 1HG1 ILE 69 1.953 13.804 -4.575 596 1HG2 ILE 69 1HG2 ILE 69 3.106 15.856 -4.191 597 2HG2 ILE 69 2HG2 ILE 69 4.467 15.758 -5.308 598 3HG2 ILE 69 3HG2 ILE 69 4.757 15.862 -3.571 599 1HD1 ILE 69 1HD1 ILE 69 3.503 14.692 -6.602 600 2HD1 ILE 69 2HD1 ILE 69 1.933 13.941 -6.868 601 3HD1 ILE 69 3HD1 ILE 69 3.404 12.988 -7.044 602 H VAL 70 H VAL 70 6.811 12.773 -2.795 603 HA VAL 70 HA VAL 70 8.080 15.314 -2.385 604 HB VAL 70 HB VAL 70 9.538 14.132 -0.832 605 1HG1 VAL 70 1HG1 VAL 70 7.321 14.486 0.021 606 2HG1 VAL 70 2HG1 VAL 70 7.772 12.838 0.458 607 3HG1 VAL 70 3HG1 VAL 70 6.683 13.123 -0.899 608 1HG2 VAL 70 1HG2 VAL 70 10.219 12.211 -2.059 609 2HG2 VAL 70 2HG2 VAL 70 8.554 11.705 -2.344 610 3HG2 VAL 70 3HG2 VAL 70 9.252 11.572 -0.730 611 H ALA 71 H ALA 71 8.834 12.569 -4.422 612 HA ALA 71 HA ALA 71 11.567 13.490 -4.972 613 1HB ALA 71 1HB ALA 71 11.497 11.658 -6.707 614 2HB ALA 71 2HB ALA 71 9.840 11.326 -6.207 615 3HB ALA 71 3HB ALA 71 11.165 11.107 -5.065 616 H GLU 72 H GLU 72 9.231 15.280 -5.545 617 HA GLU 72 HA GLU 72 8.448 16.664 -7.279 618 1HB GLU 72 2HB GLU 72 10.953 17.176 -7.109 619 2HB GLU 72 1HB GLU 72 11.155 16.137 -8.522 620 1HG GLU 72 2HG GLU 72 9.520 17.548 -9.759 621 2HG GLU 72 1HG GLU 72 9.414 18.615 -8.359 622 H GLU 73 H GLU 73 6.844 15.387 -8.255 623 HA GLU 73 HA GLU 73 7.706 13.934 -10.730 624 1HB GLU 73 2HB GLU 73 5.658 13.109 -8.655 625 2HB GLU 73 1HB GLU 73 5.732 12.395 -10.267 626 1HG GLU 73 2HG GLU 73 8.124 12.494 -8.416 627 2HG GLU 73 1HG GLU 73 6.999 11.134 -8.448 628 H ARG 74 H ARG 74 4.381 14.046 -9.771 629 HA ARG 74 HA ARG 74 3.725 16.529 -11.123 630 1HB ARG 74 2HB ARG 74 2.537 15.536 -13.034 631 2HB ARG 74 1HB ARG 74 4.244 15.094 -13.080 632 1HG ARG 74 2HG ARG 74 3.572 12.963 -11.824 633 2HG ARG 74 1HG ARG 74 1.904 13.385 -12.219 634 1HD ARG 74 2HD ARG 74 2.642 11.925 -13.964 635 2HD ARG 74 1HD ARG 74 2.658 13.550 -14.650 636 HE ARG 74 HE ARG 74 5.229 13.211 -13.659 637 1HH1 ARG 74 1HH2 ARG 74 3.103 11.511 -15.776 638 2HH1 ARG 74 2HH2 ARG 74 4.377 10.860 -16.749 639 1HH2 ARG 74 1HH1 ARG 74 6.906 12.370 -14.919 640 2HH2 ARG 74 2HH1 ARG 74 6.531 11.347 -16.265 641 H LYS 75 H LYS 75 1.199 16.567 -11.452 642 HA LYS 75 HA LYS 75 0.042 15.562 -8.933 643 1HB LYS 75 2HB LYS 75 -1.138 17.289 -11.132 644 2HB LYS 75 1HB LYS 75 -1.938 16.908 -9.608 645 1HG LYS 75 2HG LYS 75 -0.963 18.881 -8.946 646 2HG LYS 75 1HG LYS 75 0.415 17.827 -8.640 647 1HD LYS 75 2HD LYS 75 1.402 19.495 -9.937 648 2HD LYS 75 1HD LYS 75 0.980 18.309 -11.171 649 1HE LYS 75 2HE LYS 75 -1.273 19.605 -11.325 650 2HE LYS 75 1HE LYS 75 -0.406 20.899 -10.497 651 1HZ LYS 75 1HZ LYS 75 -0.016 19.818 -13.184 652 2HZ LYS 75 2HZ LYS 75 1.363 20.348 -12.344 653 3HZ LYS 75 3HZ LYS 75 0.078 21.421 -12.637 654 H ARG 76 H ARG 76 -2.221 14.580 -9.076 655 HA ARG 76 HA ARG 76 -3.443 12.670 -9.703 656 1HB ARG 76 2HB ARG 76 -2.924 13.928 -12.414 657 2HB ARG 76 1HB ARG 76 -4.120 12.671 -12.101 658 1HG ARG 76 2HG ARG 76 -4.982 14.327 -10.251 659 2HG ARG 76 1HG ARG 76 -4.110 15.538 -11.192 660 1HD ARG 76 2HD ARG 76 -5.394 14.414 -13.224 661 2HD ARG 76 1HD ARG 76 -6.512 13.914 -11.955 662 HE ARG 76 HE ARG 76 -7.145 16.187 -11.669 663 1HH1 ARG 76 1HH2 ARG 76 -4.367 15.800 -13.676 664 2HH1 ARG 76 2HH2 ARG 76 -4.366 17.444 -14.219 665 1HH2 ARG 76 1HH1 ARG 76 -7.159 18.336 -12.368 666 2HH2 ARG 76 2HH1 ARG 76 -5.947 18.879 -13.478 667 H ILE 77 H ILE 77 -1.609 11.259 -9.041 668 HA ILE 77 HA ILE 77 0.338 10.374 -10.981 669 HB ILE 77 HB ILE 77 -0.639 8.970 -8.477 670 1HG1 ILE 77 2HG1 ILE 77 1.790 10.747 -8.846 671 2HG1 ILE 77 1HG1 ILE 77 0.260 11.328 -8.189 672 1HG2 ILE 77 1HG2 ILE 77 1.711 8.588 -10.333 673 2HG2 ILE 77 2HG2 ILE 77 0.572 7.381 -9.742 674 3HG2 ILE 77 3HG2 ILE 77 1.783 8.055 -8.655 675 1HD1 ILE 77 1HD1 ILE 77 0.387 9.768 -6.344 676 2HD1 ILE 77 2HD1 ILE 77 1.921 10.634 -6.430 677 3HD1 ILE 77 3HD1 ILE 77 1.802 8.986 -7.047 678 H THR 78 H THR 78 -0.156 9.177 -12.749 679 HA THR 78 HA THR 78 -2.660 7.615 -12.800 680 HB THR 78 HB THR 78 -0.625 7.745 -15.021 681 HG1 THR 78 1HG THR 78 -2.054 9.770 -13.917 682 1HG2 THR 78 1HG2 THR 78 -2.580 7.434 -16.426 683 2HG2 THR 78 2HG2 THR 78 -3.650 7.603 -15.035 684 3HG2 THR 78 3HG2 THR 78 -2.589 6.201 -15.165 685 H VAL 79 H VAL 79 -2.725 5.462 -12.446 686 HA VAL 79 HA VAL 79 -0.123 3.990 -12.303 687 HB VAL 79 HB VAL 79 -2.765 3.074 -11.158 688 1HG1 VAL 79 1HG1 VAL 79 -0.931 1.417 -11.402 689 2HG1 VAL 79 2HG1 VAL 79 -1.301 1.738 -9.707 690 3HG1 VAL 79 3HG1 VAL 79 0.123 2.466 -10.452 691 1HG2 VAL 79 1HG2 VAL 79 -2.407 5.191 -10.105 692 2HG2 VAL 79 2HG2 VAL 79 -0.670 4.914 -9.979 693 3HG2 VAL 79 3HG2 VAL 79 -1.786 3.989 -8.973 694 H THR 80 H THR 80 0.009 1.904 -13.298 695 HA THR 80 HA THR 80 -2.239 0.979 -14.961 696 HB THR 80 HB THR 80 -0.792 0.958 -17.028 697 HG1 THR 80 1HG THR 80 0.912 2.109 -15.187 698 1HG2 THR 80 1HG2 THR 80 -2.523 2.748 -16.452 699 2HG2 THR 80 2HG2 THR 80 -1.287 3.213 -17.622 700 3HG2 THR 80 3HG2 THR 80 -1.166 3.756 -15.949 701 H GLU 81 H GLU 81 -1.411 -1.071 -16.234 702 HA GLU 81 HA GLU 81 -0.457 -2.955 -14.335 703 1HB GLU 81 2HB GLU 81 -0.325 -4.519 -16.173 704 2HB GLU 81 1HB GLU 81 -1.725 -3.485 -16.454 705 1HG GLU 81 2HG GLU 81 -0.702 -3.437 -18.549 706 2HG GLU 81 1HG GLU 81 -0.008 -2.002 -17.795 707 H LYS 82 H LYS 82 1.241 -0.690 -16.311 708 HA LYS 82 HA LYS 82 3.811 -2.131 -16.066 709 1HB LYS 82 2HB LYS 82 3.072 -0.743 -18.113 710 2HB LYS 82 1HB LYS 82 3.420 0.673 -17.121 711 1HG LYS 82 2HG LYS 82 5.726 -0.067 -16.806 712 2HG LYS 82 1HG LYS 82 5.396 -1.553 -17.698 713 1HD LYS 82 2HD LYS 82 4.756 -0.114 -19.678 714 2HD LYS 82 1HD LYS 82 5.363 1.276 -18.777 715 1HE LYS 82 2HE LYS 82 7.077 0.335 -20.318 716 2HE LYS 82 1HE LYS 82 7.581 0.253 -18.630 717 1HZ LYS 82 1HZ LYS 82 7.626 -1.825 -20.299 718 2HZ LYS 82 2HZ LYS 82 6.093 -2.036 -19.598 719 3HZ LYS 82 3HZ LYS 82 7.478 -1.974 -18.617 720 H ASN 83 H ASN 83 2.649 1.151 -15.217 721 HA ASN 83 HA ASN 83 4.726 1.957 -13.556 722 1HB ASN 83 2HB ASN 83 1.746 2.399 -13.235 723 2HB ASN 83 1HB ASN 83 2.958 3.233 -12.263 724 1HD2 ASN 83 1HD2 ASN 83 1.080 3.712 -14.935 725 2HD2 ASN 83 2HD2 ASN 83 2.084 4.759 -15.816 726 H LEU 84 H LEU 84 2.041 -0.218 -12.754 727 HA LEU 84 HA LEU 84 2.191 -0.505 -10.032 728 1HB LEU 84 2HB LEU 84 0.729 -1.910 -11.380 729 2HB LEU 84 1HB LEU 84 2.116 -2.749 -12.070 730 HG LEU 84 HG LEU 84 2.098 -2.749 -9.120 731 1HD1 LEU 84 1HD1 LEU 84 -0.278 -2.937 -9.311 732 2HD1 LEU 84 2HD1 LEU 84 0.326 -4.578 -9.081 733 3HD1 LEU 84 3HD1 LEU 84 -0.149 -4.030 -10.689 734 1HD2 LEU 84 1HD2 LEU 84 2.583 -5.153 -9.516 735 2HD2 LEU 84 2HD2 LEU 84 3.639 -4.114 -10.472 736 3HD2 LEU 84 3HD2 LEU 84 2.271 -4.922 -11.236 737 H GLN 85 H GLN 85 4.353 -2.314 -12.260 738 HA GLN 85 HA GLN 85 6.013 -3.450 -10.294 739 1HB GLN 85 2HB GLN 85 6.999 -2.384 -12.954 740 2HB GLN 85 1HB GLN 85 7.674 -3.718 -12.017 741 1HG GLN 85 2HG GLN 85 5.122 -4.602 -12.292 742 2HG GLN 85 1HG GLN 85 5.273 -3.663 -13.777 743 1HE2 GLN 85 1HE2 GLN 85 5.924 -4.997 -15.466 744 2HE2 GLN 85 2HE2 GLN 85 7.038 -6.270 -15.334 745 H ASP 86 H ASP 86 6.154 -0.218 -11.762 746 HA ASP 86 HA ASP 86 8.606 0.625 -10.598 747 1HB ASP 86 2HB ASP 86 6.202 2.411 -11.034 748 2HB ASP 86 1HB ASP 86 7.907 2.862 -11.085 749 H PHE 87 H PHE 87 5.288 0.669 -9.309 750 HA PHE 87 HA PHE 87 6.146 1.968 -6.826 751 1HB PHE 87 2HB PHE 87 3.545 0.620 -7.619 752 2HB PHE 87 1HB PHE 87 3.805 1.439 -6.080 753 HD1 PHE 87 1HD PHE 87 2.475 1.871 -9.264 754 HD2 PHE 87 2HD PHE 87 4.975 3.889 -6.411 755 HE1 PHE 87 1HE PHE 87 1.925 4.044 -10.320 756 HE2 PHE 87 2HE PHE 87 4.428 6.061 -7.471 757 HZ PHE 87 HZ PHE 87 2.903 6.140 -9.424 758 H ILE 88 H ILE 88 4.524 -1.166 -7.366 759 HA ILE 88 HA ILE 88 5.480 -2.266 -4.890 760 HB ILE 88 HB ILE 88 3.934 -3.190 -7.224 761 1HG1 ILE 88 2HG1 ILE 88 3.655 -3.973 -4.323 762 2HG1 ILE 88 1HG1 ILE 88 3.098 -2.408 -4.920 763 1HG2 ILE 88 1HG2 ILE 88 5.603 -5.078 -5.562 764 2HG2 ILE 88 2HG2 ILE 88 5.487 -4.988 -7.320 765 3HG2 ILE 88 3HG2 ILE 88 4.129 -5.597 -6.377 766 1HD1 ILE 88 1HD1 ILE 88 1.398 -4.375 -4.877 767 2HD1 ILE 88 2HD1 ILE 88 2.270 -4.960 -6.295 768 3HD1 ILE 88 3HD1 ILE 88 1.484 -3.381 -6.331 769 H GLY 89 H GLY 89 6.355 -3.107 -8.272 770 1HA GLY 89 2HA GLY 89 8.385 -3.903 -9.136 771 2HA GLY 89 1HA GLY 89 9.169 -3.146 -7.747 772 H LYS 90 H LYS 90 9.445 -5.893 -9.074 773 HA LYS 90 HA LYS 90 9.885 -8.083 -8.349 774 1HB LYS 90 2HB LYS 90 11.144 -6.700 -6.587 775 2HB LYS 90 1HB LYS 90 9.754 -6.973 -5.538 776 1HG LYS 90 2HG LYS 90 11.010 -8.813 -4.937 777 2HG LYS 90 1HG LYS 90 10.146 -9.511 -6.306 778 1HD LYS 90 2HD LYS 90 12.033 -8.981 -7.789 779 2HD LYS 90 1HD LYS 90 12.895 -8.232 -6.445 780 1HE LYS 90 2HE LYS 90 12.076 -11.144 -6.648 781 2HE LYS 90 1HE LYS 90 13.718 -10.509 -6.760 782 1HZ LYS 90 1HZ LYS 90 12.571 -9.522 -4.415 783 2HZ LYS 90 2HZ LYS 90 13.863 -10.615 -4.571 784 3HZ LYS 90 3HZ LYS 90 12.268 -11.191 -4.459 785 H ARG 91 H ARG 91 7.898 -9.035 -8.935 786 HA ARG 91 HA ARG 91 5.514 -8.764 -7.309 787 1HB ARG 91 2HB ARG 91 4.560 -10.458 -8.762 788 2HB ARG 91 1HB ARG 91 5.505 -9.347 -9.753 789 1HG ARG 91 2HG ARG 91 7.457 -10.996 -9.438 790 2HG ARG 91 1HG ARG 91 6.243 -12.134 -8.852 791 1HD ARG 91 2HD ARG 91 6.608 -11.001 -11.603 792 2HD ARG 91 1HD ARG 91 6.238 -12.655 -11.115 793 HE ARG 91 HE ARG 91 4.053 -10.921 -10.423 794 1HH1 ARG 91 1HH2 ARG 91 5.684 -12.430 -13.060 795 2HH1 ARG 91 2HH2 ARG 91 4.274 -12.505 -14.062 796 1HH2 ARG 91 1HH1 ARG 91 2.202 -11.010 -11.717 797 2HH2 ARG 91 2HH1 ARG 91 2.302 -11.700 -13.302 798 H ILE 92 H ILE 92 4.457 -10.841 -6.392 799 HA ILE 92 HA ILE 92 6.488 -12.182 -4.681 800 HB ILE 92 HB ILE 92 3.467 -12.032 -4.470 801 1HG1 ILE 92 2HG1 ILE 92 5.595 -10.815 -2.689 802 2HG1 ILE 92 1HG1 ILE 92 4.836 -9.935 -4.016 803 1HG2 ILE 92 1HG2 ILE 92 3.972 -12.964 -2.145 804 2HG2 ILE 92 2HG2 ILE 92 5.574 -13.368 -2.760 805 3HG2 ILE 92 3HG2 ILE 92 4.142 -14.100 -3.482 806 1HD1 ILE 92 1HD1 ILE 92 3.424 -11.149 -1.624 807 2HD1 ILE 92 2HD1 ILE 92 2.604 -10.399 -2.993 808 3HD1 ILE 92 3HD1 ILE 92 3.645 -9.431 -1.950 809 H PHE 93 H PHE 93 3.471 -13.129 -6.378 810 HA PHE 93 HA PHE 93 4.152 -15.933 -6.339 811 1HB PHE 93 2HB PHE 93 2.149 -14.358 -7.979 812 2HB PHE 93 1HB PHE 93 2.276 -16.117 -8.016 813 HD1 PHE 93 1HD PHE 93 1.842 -13.245 -5.653 814 HD2 PHE 93 2HD PHE 93 1.155 -17.418 -6.409 815 HE1 PHE 93 1HE PHE 93 0.459 -13.390 -3.600 816 HE2 PHE 93 2HE PHE 93 -0.229 -17.561 -4.357 817 HZ PHE 93 HZ PHE 93 -0.577 -15.547 -2.951 818 H ARG 94 H ARG 94 4.835 -17.242 -8.116 819 HA ARG 94 HA ARG 94 6.141 -15.737 -10.355 820 1HB ARG 94 2HB ARG 94 7.137 -18.170 -8.843 821 2HB ARG 94 1HB ARG 94 7.870 -17.565 -10.328 822 1HG ARG 94 2HG ARG 94 8.448 -15.476 -9.291 823 2HG ARG 94 1HG ARG 94 7.488 -15.854 -7.860 824 1HD ARG 94 2HD ARG 94 9.866 -17.500 -8.759 825 2HD ARG 94 1HD ARG 94 9.970 -16.209 -7.562 826 HE ARG 94 HE ARG 94 7.916 -18.146 -6.888 827 1HH1 ARG 94 1HH2 ARG 94 11.290 -17.432 -6.880 828 2HH1 ARG 94 2HH2 ARG 94 11.636 -18.447 -5.521 829 1HH2 ARG 94 1HH1 ARG 94 8.350 -19.477 -5.112 830 2HH2 ARG 94 2HH1 ARG 94 9.973 -19.605 -4.520 831 H TYR 95 H TYR 95 4.358 -16.133 -11.755 832 HA TYR 95 HA TYR 95 4.106 -18.987 -12.624 833 1HB TYR 95 2HB TYR 95 2.121 -18.132 -11.258 834 2HB TYR 95 1HB TYR 95 1.805 -17.021 -12.590 835 HD1 TYR 95 1HD TYR 95 2.215 -20.633 -11.753 836 HD2 TYR 95 2HD TYR 95 0.702 -17.752 -14.557 837 HE1 TYR 95 1HE TYR 95 1.057 -22.444 -12.988 838 HE2 TYR 95 2HE TYR 95 -0.456 -19.563 -15.793 839 HH TYR 95 HH TYR 95 -0.560 -22.859 -14.551 Start of MODEL 13 1 H ALA 1 H ALA 1 -16.976 -12.534 7.564 2 HA ALA 1 HA ALA 1 -16.669 -14.993 6.393 3 1HB ALA 1 1HB ALA 1 -16.402 -16.000 8.620 4 2HB ALA 1 2HB ALA 1 -17.874 -16.597 7.854 5 3HB ALA 1 3HB ALA 1 -17.972 -15.362 9.109 6 H GLY 2 H GLY 2 -17.975 -13.837 4.884 7 1HA GLY 2 2HA GLY 2 -20.723 -14.418 4.833 8 2HA GLY 2 1HA GLY 2 -20.572 -12.792 5.507 9 H TYR 3 H TYR 3 -18.046 -12.376 3.934 10 HA TYR 3 HA TYR 3 -19.374 -11.482 1.475 11 1HB TYR 3 2HB TYR 3 -17.521 -10.062 1.146 12 2HB TYR 3 1HB TYR 3 -17.703 -10.103 2.899 13 HD1 TYR 3 1HD TYR 3 -15.483 -10.692 0.154 14 HD2 TYR 3 2HD TYR 3 -16.326 -11.884 4.194 15 HE1 TYR 3 1HE TYR 3 -13.183 -11.587 0.369 16 HE2 TYR 3 2HE TYR 3 -14.026 -12.780 4.408 17 HH TYR 3 HH TYR 3 -11.655 -12.405 1.790 18 H THR 4 H THR 4 -19.313 -12.675 -0.363 19 HA THR 4 HA THR 4 -17.360 -14.918 -0.529 20 HB THR 4 HB THR 4 -18.815 -15.849 -2.214 21 HG1 THR 4 1HG THR 4 -20.729 -13.913 -2.128 22 1HG2 THR 4 1HG2 THR 4 -20.834 -16.157 -0.951 23 2HG2 THR 4 2HG2 THR 4 -20.614 -14.618 -0.116 24 3HG2 THR 4 3HG2 THR 4 -19.525 -15.966 0.215 25 H GLU 5 H GLU 5 -16.844 -15.308 -3.073 26 HA GLU 5 HA GLU 5 -15.002 -13.320 -3.842 27 1HB GLU 5 2HB GLU 5 -15.405 -14.405 -6.220 28 2HB GLU 5 1HB GLU 5 -14.660 -15.352 -4.933 29 1HG GLU 5 2HG GLU 5 -16.716 -16.464 -4.431 30 2HG GLU 5 1HG GLU 5 -17.646 -15.337 -5.417 31 H ILE 6 H ILE 6 -18.367 -13.793 -4.945 32 HA ILE 6 HA ILE 6 -18.486 -11.720 -6.847 33 HB ILE 6 HB ILE 6 -20.644 -12.539 -4.873 34 1HG1 ILE 6 2HG1 ILE 6 -20.239 -13.476 -7.724 35 2HG1 ILE 6 1HG1 ILE 6 -19.587 -14.350 -6.338 36 1HG2 ILE 6 1HG2 ILE 6 -22.117 -11.752 -6.823 37 2HG2 ILE 6 2HG2 ILE 6 -20.670 -10.964 -7.454 38 3HG2 ILE 6 3HG2 ILE 6 -21.318 -10.490 -5.884 39 1HD1 ILE 6 1HD1 ILE 6 -22.507 -13.712 -6.849 40 2HD1 ILE 6 2HD1 ILE 6 -21.891 -14.470 -5.381 41 3HD1 ILE 6 3HD1 ILE 6 -21.751 -15.303 -6.929 42 H GLU 7 H GLU 7 -19.283 -11.499 -3.357 43 HA GLU 7 HA GLU 7 -19.753 -8.735 -3.226 44 1HB GLU 7 2HB GLU 7 -18.551 -10.686 -1.261 45 2HB GLU 7 1HB GLU 7 -18.714 -8.978 -0.848 46 1HG GLU 7 2HG GLU 7 -21.040 -10.592 -1.907 47 2HG GLU 7 1HG GLU 7 -20.669 -10.510 -0.185 48 H LYS 8 H LYS 8 -16.630 -10.429 -2.824 49 HA LYS 8 HA LYS 8 -14.934 -8.255 -2.436 50 1HB LYS 8 2HB LYS 8 -14.658 -10.976 -3.271 51 2HB LYS 8 1HB LYS 8 -13.701 -9.994 -4.378 52 1HG LYS 8 2HG LYS 8 -12.472 -9.004 -2.548 53 2HG LYS 8 1HG LYS 8 -13.534 -9.762 -1.361 54 1HD LYS 8 2HD LYS 8 -12.733 -11.951 -1.897 55 2HD LYS 8 1HD LYS 8 -11.906 -11.366 -3.341 56 1HE LYS 8 2HE LYS 8 -11.142 -10.148 -0.718 57 2HE LYS 8 1HE LYS 8 -10.579 -11.784 -1.063 58 1HZ LYS 8 1HZ LYS 8 -9.992 -10.667 -3.355 59 2HZ LYS 8 2HZ LYS 8 -8.926 -10.599 -2.034 60 3HZ LYS 8 3HZ LYS 8 -9.919 -9.270 -2.398 61 H LEU 9 H LEU 9 -16.053 -9.512 -5.603 62 HA LEU 9 HA LEU 9 -14.716 -7.557 -7.177 63 1HB LEU 9 2HB LEU 9 -16.810 -9.553 -7.570 64 2HB LEU 9 1HB LEU 9 -17.134 -8.098 -8.511 65 HG LEU 9 HG LEU 9 -14.744 -8.224 -9.347 66 1HD1 LEU 9 1HD1 LEU 9 -13.740 -9.614 -7.653 67 2HD1 LEU 9 2HD1 LEU 9 -13.718 -10.535 -9.158 68 3HD1 LEU 9 3HD1 LEU 9 -14.925 -10.892 -7.922 69 1HD2 LEU 9 1HD2 LEU 9 -16.515 -8.968 -10.798 70 2HD2 LEU 9 2HD2 LEU 9 -16.690 -10.479 -9.904 71 3HD2 LEU 9 3HD2 LEU 9 -15.246 -10.190 -10.873 72 H GLU 10 H GLU 10 -18.011 -7.520 -5.797 73 HA GLU 10 HA GLU 10 -18.834 -5.024 -6.826 74 1HB GLU 10 2HB GLU 10 -20.264 -6.656 -5.537 75 2HB GLU 10 1HB GLU 10 -19.489 -6.075 -4.062 76 1HG GLU 10 2HG GLU 10 -20.236 -3.768 -4.603 77 2HG GLU 10 1HG GLU 10 -21.071 -4.391 -6.026 78 H ILE 11 H ILE 11 -17.701 -5.491 -3.456 79 HA ILE 11 HA ILE 11 -17.245 -2.758 -2.932 80 HB ILE 11 HB ILE 11 -15.371 -3.847 -1.340 81 1HG1 ILE 11 2HG1 ILE 11 -17.204 -6.202 -1.587 82 2HG1 ILE 11 1HG1 ILE 11 -15.886 -6.057 -2.748 83 1HG2 ILE 11 1HG2 ILE 11 -17.389 -2.784 -0.516 84 2HG2 ILE 11 2HG2 ILE 11 -17.235 -4.359 0.263 85 3HG2 ILE 11 3HG2 ILE 11 -18.375 -4.139 -1.065 86 1HD1 ILE 11 1HD1 ILE 11 -15.260 -5.643 0.149 87 2HD1 ILE 11 2HD1 ILE 11 -14.246 -6.299 -1.135 88 3HD1 ILE 11 3HD1 ILE 11 -15.519 -7.289 -0.424 89 H VAL 12 H VAL 12 -14.691 -5.156 -3.706 90 HA VAL 12 HA VAL 12 -12.502 -3.545 -3.978 91 HB VAL 12 HB VAL 12 -13.358 -5.711 -5.913 92 1HG1 VAL 12 1HG1 VAL 12 -10.752 -4.229 -5.540 93 2HG1 VAL 12 2HG1 VAL 12 -11.650 -4.504 -7.033 94 3HG1 VAL 12 3HG1 VAL 12 -10.807 -5.842 -6.253 95 1HG2 VAL 12 1HG2 VAL 12 -12.995 -6.113 -3.334 96 2HG2 VAL 12 2HG2 VAL 12 -11.287 -5.956 -3.741 97 3HG2 VAL 12 3HG2 VAL 12 -12.261 -7.220 -4.494 98 H LYS 13 H LYS 13 -15.145 -3.737 -6.351 99 HA LYS 13 HA LYS 13 -13.757 -1.905 -8.143 100 1HB LYS 13 2HB LYS 13 -15.423 -3.757 -8.804 101 2HB LYS 13 1HB LYS 13 -16.678 -2.617 -8.317 102 1HG LYS 13 2HG LYS 13 -15.585 -0.923 -9.863 103 2HG LYS 13 1HG LYS 13 -14.591 -2.245 -10.476 104 1HD LYS 13 2HD LYS 13 -16.623 -3.492 -11.104 105 2HD LYS 13 1HD LYS 13 -17.623 -2.176 -10.486 106 1HE LYS 13 2HE LYS 13 -17.394 -1.958 -12.911 107 2HE LYS 13 1HE LYS 13 -16.548 -0.631 -12.115 108 1HZ LYS 13 1HZ LYS 13 -15.418 -3.028 -13.413 109 2HZ LYS 13 2HZ LYS 13 -14.526 -2.169 -12.250 110 3HZ LYS 13 3HZ LYS 13 -15.034 -1.396 -13.675 111 H ASP 14 H ASP 14 -16.487 -1.610 -5.872 112 HA ASP 14 HA ASP 14 -16.960 1.165 -6.643 113 1HB ASP 14 2HB ASP 14 -18.711 -0.453 -5.778 114 2HB ASP 14 1HB ASP 14 -18.004 -0.228 -4.178 115 H HIS 15 H HIS 15 -15.393 -0.410 -3.854 116 HA HIS 15 HA HIS 15 -15.035 2.059 -2.415 117 1HB HIS 15 2HB HIS 15 -13.982 0.794 -0.783 118 2HB HIS 15 1HB HIS 15 -14.972 -0.427 -1.580 119 HD1 HIS 15 1HD HIS 15 -11.817 -0.321 -0.233 120 HD2 HIS 15 2HD HIS 15 -13.114 -1.284 -4.077 121 HE1 HIS 15 1HE HIS 15 -9.975 -1.707 -1.284 122 HE2 HIS 15 2HE HIS 15 -10.752 -2.299 -3.624 123 H LEU 16 H LEU 16 -12.879 0.258 -4.622 124 HA LEU 16 HA LEU 16 -10.442 1.392 -4.171 125 1HB LEU 16 2HB LEU 16 -10.154 1.540 -6.739 126 2HB LEU 16 1HB LEU 16 -10.496 -0.031 -6.027 127 HG LEU 16 HG LEU 16 -12.953 0.395 -6.524 128 1HD1 LEU 16 1HD1 LEU 16 -12.831 2.097 -8.701 129 2HD1 LEU 16 2HD1 LEU 16 -11.773 2.901 -7.546 130 3HD1 LEU 16 3HD1 LEU 16 -13.444 2.538 -7.111 131 1HD2 LEU 16 1HD2 LEU 16 -12.659 -0.131 -8.960 132 2HD2 LEU 16 2HD2 LEU 16 -11.621 -1.100 -7.912 133 3HD2 LEU 16 3HD2 LEU 16 -10.950 0.268 -8.797 134 H LEU 17 H LEU 17 -13.161 3.157 -5.633 135 HA LEU 17 HA LEU 17 -11.572 5.466 -6.283 136 1HB LEU 17 2HB LEU 17 -14.447 4.772 -6.273 137 2HB LEU 17 1HB LEU 17 -14.096 6.488 -6.053 138 HG LEU 17 HG LEU 17 -12.710 4.933 -8.231 139 1HD1 LEU 17 1HD1 LEU 17 -15.509 6.083 -8.273 140 2HD1 LEU 17 2HD1 LEU 17 -15.007 4.445 -8.692 141 3HD1 LEU 17 3HD1 LEU 17 -14.576 5.795 -9.741 142 1HD2 LEU 17 1HD2 LEU 17 -13.659 7.807 -8.164 143 2HD2 LEU 17 2HD2 LEU 17 -12.438 7.093 -9.216 144 3HD2 LEU 17 3HD2 LEU 17 -12.100 7.320 -7.501 145 HA PRO 18 HA PRO 18 -13.244 7.672 -2.370 146 1HB PRO 18 2HB PRO 18 -14.724 6.204 -0.571 147 2HB PRO 18 1HB PRO 18 -15.436 7.141 -1.899 148 1HG PRO 18 2HG PRO 18 -14.830 4.221 -1.761 149 2HG PRO 18 1HG PRO 18 -16.275 5.042 -2.384 150 1HD PRO 18 2HD PRO 18 -14.372 4.113 -4.057 151 2HD PRO 18 1HD PRO 18 -15.245 5.628 -4.389 152 H LYS 19 H LYS 19 -12.624 4.218 -1.686 153 HA LYS 19 HA LYS 19 -11.479 4.338 0.823 154 1HB LYS 19 2HB LYS 19 -11.708 2.304 -0.713 155 2HB LYS 19 1HB LYS 19 -10.169 2.794 -1.421 156 1HG LYS 19 2HG LYS 19 -9.422 1.356 0.243 157 2HG LYS 19 1HG LYS 19 -9.395 2.889 1.112 158 1HD LYS 19 2HD LYS 19 -11.875 2.272 1.731 159 2HD LYS 19 1HD LYS 19 -11.374 0.633 1.317 160 1HE LYS 19 2HE LYS 19 -10.946 0.818 3.644 161 2HE LYS 19 1HE LYS 19 -9.369 1.036 2.884 162 1HZ LYS 19 1HZ LYS 19 -9.232 3.016 3.826 163 2HZ LYS 19 2HZ LYS 19 -10.757 2.812 4.546 164 3HZ LYS 19 3HZ LYS 19 -10.629 3.526 3.010 165 H GLN 20 H GLN 20 -9.520 4.674 -2.168 166 HA GLN 20 HA GLN 20 -7.288 5.767 -0.629 167 1HB GLN 20 2HB GLN 20 -7.703 5.565 -3.623 168 2HB GLN 20 1HB GLN 20 -6.180 5.947 -2.821 169 1HG GLN 20 2HG GLN 20 -5.773 3.770 -2.307 170 2HG GLN 20 1HG GLN 20 -7.428 3.505 -1.765 171 1HE2 GLN 20 1HE2 GLN 20 -5.739 1.761 -3.542 172 2HE2 GLN 20 2HE2 GLN 20 -6.627 1.589 -4.978 173 H ILE 21 H ILE 21 -9.491 7.093 -3.122 174 HA ILE 21 HA ILE 21 -8.516 9.686 -3.285 175 HB ILE 21 HB ILE 21 -11.371 8.700 -3.293 176 1HG1 ILE 21 2HG1 ILE 21 -9.883 7.969 -5.142 177 2HG1 ILE 21 1HG1 ILE 21 -11.153 9.043 -5.721 178 1HG2 ILE 21 1HG2 ILE 21 -11.807 10.963 -4.432 179 2HG2 ILE 21 2HG2 ILE 21 -10.283 11.482 -3.713 180 3HG2 ILE 21 3HG2 ILE 21 -11.617 10.974 -2.678 181 1HD1 ILE 21 1HD1 ILE 21 -9.391 10.097 -6.735 182 2HD1 ILE 21 2HD1 ILE 21 -8.219 9.478 -5.575 183 3HD1 ILE 21 3HD1 ILE 21 -9.217 10.869 -5.161 184 H LYS 22 H LYS 22 -10.541 8.369 -0.661 185 HA LYS 22 HA LYS 22 -10.938 10.915 0.619 186 1HB LYS 22 2HB LYS 22 -12.247 8.759 1.025 187 2HB LYS 22 1HB LYS 22 -10.893 8.243 2.029 188 1HG LYS 22 2HG LYS 22 -11.152 10.378 3.341 189 2HG LYS 22 1HG LYS 22 -12.626 10.695 2.426 190 1HD LYS 22 2HD LYS 22 -13.425 8.387 3.181 191 2HD LYS 22 1HD LYS 22 -12.074 8.398 4.314 192 1HE LYS 22 2HE LYS 22 -12.953 10.662 5.117 193 2HE LYS 22 1HE LYS 22 -14.418 10.304 4.202 194 1HZ LYS 22 1HZ LYS 22 -13.536 8.130 5.863 195 2HZ LYS 22 2HZ LYS 22 -15.081 8.821 5.706 196 3HZ LYS 22 3HZ LYS 22 -13.935 9.523 6.746 197 H GLU 23 H GLU 23 -9.154 8.305 2.236 198 HA GLU 23 HA GLU 23 -7.605 9.831 3.932 199 1HB GLU 23 2HB GLU 23 -6.754 7.362 2.388 200 2HB GLU 23 1HB GLU 23 -5.852 8.034 3.747 201 1HG GLU 23 2HG GLU 23 -8.766 7.226 3.916 202 2HG GLU 23 1HG GLU 23 -7.434 6.165 4.373 203 H HIS 24 H HIS 24 -7.006 9.204 0.515 204 HA HIS 24 HA HIS 24 -4.509 10.736 0.498 205 1HB HIS 24 2HB HIS 24 -6.171 9.850 -1.878 206 2HB HIS 24 1HB HIS 24 -4.455 10.254 -1.863 207 HD1 HIS 24 1HD HIS 24 -6.052 8.122 0.814 208 HD2 HIS 24 2HD HIS 24 -3.569 7.637 -2.497 209 HE1 HIS 24 1HE HIS 24 -5.175 5.746 0.915 210 HE2 HIS 24 2HE HIS 24 -3.662 5.443 -1.096 211 H GLY 25 H GLY 25 -7.884 11.196 -0.414 212 1HA GLY 25 2HA GLY 25 -7.940 13.550 -1.820 213 2HA GLY 25 1HA GLY 25 -9.103 13.217 -0.537 214 H LEU 26 H LEU 26 -7.209 13.219 1.633 215 HA LEU 26 HA LEU 26 -7.293 15.766 2.625 216 1HB LEU 26 2HB LEU 26 -6.078 13.552 3.503 217 2HB LEU 26 1HB LEU 26 -4.642 14.401 2.933 218 HG LEU 26 HG LEU 26 -6.681 15.467 4.911 219 1HD1 LEU 26 1HD1 LEU 26 -3.769 14.682 5.245 220 2HD1 LEU 26 2HD1 LEU 26 -5.148 13.745 5.820 221 3HD1 LEU 26 3HD1 LEU 26 -4.815 15.335 6.507 222 1HD2 LEU 26 1HD2 LEU 26 -4.782 17.258 5.120 223 2HD2 LEU 26 2HD2 LEU 26 -5.920 17.382 3.780 224 3HD2 LEU 26 3HD2 LEU 26 -4.314 16.705 3.512 225 H LYS 27 H LYS 27 -4.895 14.586 0.279 226 HA LYS 27 HA LYS 27 -3.866 17.373 -0.021 227 1HB LYS 27 2HB LYS 27 -2.779 14.765 -1.137 228 2HB LYS 27 1HB LYS 27 -2.001 16.344 -1.238 229 1HG LYS 27 2HG LYS 27 -1.928 16.434 1.251 230 2HG LYS 27 1HG LYS 27 -2.612 14.809 1.305 231 1HD LYS 27 2HD LYS 27 -0.648 14.082 -0.161 232 2HD LYS 27 1HD LYS 27 0.069 15.656 0.189 233 1HE LYS 27 2HE LYS 27 -0.112 15.166 2.623 234 2HE LYS 27 1HE LYS 27 -0.738 13.564 2.232 235 1HZ LYS 27 1HZ LYS 27 1.274 12.841 1.549 236 2HZ LYS 27 2HZ LYS 27 1.829 14.042 2.614 237 3HZ LYS 27 3HZ LYS 27 1.754 14.350 0.945 238 H LYS 28 H LYS 28 -3.475 17.999 -2.399 239 HA LYS 28 HA LYS 28 -5.844 18.079 -3.862 240 1HB LYS 28 2HB LYS 28 -4.436 18.531 -5.866 241 2HB LYS 28 1HB LYS 28 -3.908 19.453 -4.458 242 1HG LYS 28 2HG LYS 28 -2.187 17.712 -3.999 243 2HG LYS 28 1HG LYS 28 -2.686 16.865 -5.461 244 1HD LYS 28 2HD LYS 28 -0.902 18.134 -6.267 245 2HD LYS 28 1HD LYS 28 -2.264 19.196 -6.617 246 1HE LYS 28 2HE LYS 28 -1.843 20.479 -4.588 247 2HE LYS 28 1HE LYS 28 -0.571 19.357 -4.105 248 1HZ LYS 28 1HZ LYS 28 0.831 20.095 -5.752 249 2HZ LYS 28 2HZ LYS 28 0.047 21.537 -5.312 250 3HZ LYS 28 3HZ LYS 28 -0.425 20.705 -6.715 251 H SER 29 H SER 29 -6.706 16.815 -5.602 252 HA SER 29 HA SER 29 -6.803 14.072 -5.385 253 1HB SER 29 2HB SER 29 -6.882 15.729 -7.921 254 2HB SER 29 1HB SER 29 -7.306 14.020 -7.864 255 HG SER 29 HG SER 29 -8.579 15.189 -5.884 256 H ASN 30 H ASN 30 -4.816 13.106 -4.889 257 HA ASN 30 HA ASN 30 -2.714 13.222 -7.011 258 1HB ASN 30 2HB ASN 30 -2.256 13.969 -4.563 259 2HB ASN 30 1HB ASN 30 -2.264 12.245 -4.197 260 1HD2 ASN 30 1HD2 ASN 30 -1.018 13.922 -7.131 261 2HD2 ASN 30 2HD2 ASN 30 0.573 13.356 -6.961 262 H LEU 31 H LEU 31 -5.038 11.426 -7.156 263 HA LEU 31 HA LEU 31 -3.539 8.923 -7.454 264 1HB LEU 31 2HB LEU 31 -4.738 9.278 -5.053 265 2HB LEU 31 1HB LEU 31 -6.093 8.610 -5.956 266 HG LEU 31 HG LEU 31 -4.894 6.794 -4.929 267 1HD1 LEU 31 1HD1 LEU 31 -3.966 6.709 -7.789 268 2HD1 LEU 31 2HD1 LEU 31 -5.688 6.703 -7.407 269 3HD1 LEU 31 3HD1 LEU 31 -4.647 5.413 -6.806 270 1HD2 LEU 31 1HD2 LEU 31 -2.613 6.584 -4.837 271 2HD2 LEU 31 2HD2 LEU 31 -2.660 8.325 -5.097 272 3HD2 LEU 31 3HD2 LEU 31 -2.381 7.237 -6.457 273 H GLN 32 H GLN 32 -4.260 7.887 -9.264 274 HA GLN 32 HA GLN 32 -7.083 8.089 -10.077 275 1HB GLN 32 2HB GLN 32 -4.826 9.416 -11.561 276 2HB GLN 32 1HB GLN 32 -6.190 8.760 -12.465 277 1HG GLN 32 2HG GLN 32 -7.711 10.091 -10.921 278 2HG GLN 32 1HG GLN 32 -6.260 10.889 -10.314 279 1HE2 GLN 32 1HE2 GLN 32 -4.906 10.825 -12.981 280 2HE2 GLN 32 2HE2 GLN 32 -5.690 11.999 -13.924 281 H LEU 33 H LEU 33 -6.713 5.752 -9.560 282 HA LEU 33 HA LEU 33 -5.074 4.300 -11.562 283 1HB LEU 33 2HB LEU 33 -5.971 2.295 -10.106 284 2HB LEU 33 1HB LEU 33 -4.693 3.330 -9.476 285 HG LEU 33 HG LEU 33 -6.313 4.632 -8.207 286 1HD1 LEU 33 1HD1 LEU 33 -8.716 3.690 -8.153 287 2HD1 LEU 33 2HD1 LEU 33 -8.300 2.892 -9.669 288 3HD1 LEU 33 3HD1 LEU 33 -8.258 4.652 -9.557 289 1HD2 LEU 33 1HD2 LEU 33 -6.884 2.977 -6.575 290 2HD2 LEU 33 2HD2 LEU 33 -5.404 2.405 -7.343 291 3HD2 LEU 33 3HD2 LEU 33 -6.959 1.706 -7.794 292 H ARG 34 H ARG 34 -6.220 2.164 -12.299 293 HA ARG 34 HA ARG 34 -9.033 2.804 -13.110 294 1HB ARG 34 2HB ARG 34 -6.760 1.686 -14.769 295 2HB ARG 34 1HB ARG 34 -8.449 1.555 -15.259 296 1HG ARG 34 2HG ARG 34 -8.656 4.033 -15.090 297 2HG ARG 34 1HG ARG 34 -6.936 4.125 -14.710 298 1HD ARG 34 2HD ARG 34 -7.368 4.535 -17.118 299 2HD ARG 34 1HD ARG 34 -6.380 3.095 -16.865 300 HE ARG 34 HE ARG 34 -8.170 1.779 -17.686 301 1HH1 ARG 34 1HH2 ARG 34 -9.123 5.009 -16.949 302 2HH1 ARG 34 2HH2 ARG 34 -10.692 4.852 -17.664 303 1HH2 ARG 34 1HH1 ARG 34 -10.215 1.553 -18.624 304 2HH2 ARG 34 2HH1 ARG 34 -11.310 2.895 -18.613 305 H ASP 35 H ASP 35 -9.921 0.566 -14.162 306 HA ASP 35 HA ASP 35 -10.008 -1.293 -11.945 307 1HB ASP 35 2HB ASP 35 -10.949 -1.851 -14.765 308 2HB ASP 35 1HB ASP 35 -11.576 -2.521 -13.258 309 H GLN 36 H GLN 36 -8.435 -1.306 -15.134 310 HA GLN 36 HA GLN 36 -7.483 -3.960 -15.149 311 1HB GLN 36 2HB GLN 36 -6.012 -1.497 -16.137 312 2HB GLN 36 1HB GLN 36 -5.728 -3.159 -16.655 313 1HG GLN 36 2HG GLN 36 -8.054 -3.282 -17.500 314 2HG GLN 36 1HG GLN 36 -8.306 -1.603 -17.022 315 1HE2 GLN 36 1HE2 GLN 36 -5.956 -0.363 -17.840 316 2HE2 GLN 36 2HE2 GLN 36 -5.766 -0.516 -19.520 317 H ALA 37 H ALA 37 -5.922 -1.053 -13.771 318 HA ALA 37 HA ALA 37 -3.587 -2.319 -12.795 319 1HB ALA 37 1HB ALA 37 -5.158 0.093 -11.905 320 2HB ALA 37 2HB ALA 37 -3.571 0.030 -12.674 321 3HB ALA 37 3HB ALA 37 -3.752 -0.446 -10.985 322 H ILE 38 H ILE 38 -6.509 -1.516 -10.872 323 HA ILE 38 HA ILE 38 -5.890 -2.885 -8.535 324 HB ILE 38 HB ILE 38 -8.548 -2.615 -9.959 325 1HG1 ILE 38 2HG1 ILE 38 -7.101 -0.635 -8.937 326 2HG1 ILE 38 1HG1 ILE 38 -8.846 -0.682 -8.701 327 1HG2 ILE 38 1HG2 ILE 38 -8.891 -4.473 -8.533 328 2HG2 ILE 38 2HG2 ILE 38 -9.456 -3.093 -7.592 329 3HG2 ILE 38 3HG2 ILE 38 -7.873 -3.796 -7.263 330 1HD1 ILE 38 1HD1 ILE 38 -7.339 -0.267 -6.623 331 2HD1 ILE 38 2HD1 ILE 38 -6.999 -1.995 -6.714 332 3HD1 ILE 38 3HD1 ILE 38 -8.655 -1.434 -6.481 333 H LEU 39 H LEU 39 -7.694 -4.305 -11.291 334 HA LEU 39 HA LEU 39 -7.845 -6.941 -10.364 335 1HB LEU 39 2HB LEU 39 -7.431 -5.931 -13.190 336 2HB LEU 39 1HB LEU 39 -7.849 -7.597 -12.796 337 HG LEU 39 HG LEU 39 -9.516 -5.302 -11.766 338 1HD1 LEU 39 1HD1 LEU 39 -9.543 -4.912 -14.121 339 2HD1 LEU 39 2HD1 LEU 39 -11.016 -5.818 -13.772 340 3HD1 LEU 39 3HD1 LEU 39 -9.622 -6.638 -14.478 341 1HD2 LEU 39 1HD2 LEU 39 -9.939 -8.260 -12.266 342 2HD2 LEU 39 2HD2 LEU 39 -11.279 -7.154 -11.966 343 3HD2 LEU 39 3HD2 LEU 39 -10.043 -7.394 -10.733 344 H ASP 40 H ASP 40 -5.131 -5.340 -11.983 345 HA ASP 40 HA ASP 40 -3.517 -7.674 -12.310 346 1HB ASP 40 2HB ASP 40 -3.165 -4.771 -12.512 347 2HB ASP 40 1HB ASP 40 -1.713 -5.583 -11.932 348 H ILE 41 H ILE 41 -3.190 -5.128 -9.787 349 HA ILE 41 HA ILE 41 -1.278 -6.470 -8.232 350 HB ILE 41 HB ILE 41 -1.695 -4.246 -7.601 351 1HG1 ILE 41 2HG1 ILE 41 -3.223 -5.714 -5.449 352 2HG1 ILE 41 1HG1 ILE 41 -1.493 -5.964 -5.686 353 1HG2 ILE 41 1HG2 ILE 41 -3.871 -3.343 -7.044 354 2HG2 ILE 41 2HG2 ILE 41 -4.604 -4.940 -7.145 355 3HG2 ILE 41 3HG2 ILE 41 -3.989 -4.160 -8.600 356 1HD1 ILE 41 1HD1 ILE 41 -2.616 -3.179 -5.428 357 2HD1 ILE 41 2HD1 ILE 41 -0.968 -3.735 -5.140 358 3HD1 ILE 41 3HD1 ILE 41 -2.247 -4.137 -3.994 359 H ILE 42 H ILE 42 -4.832 -6.547 -7.580 360 HA ILE 42 HA ILE 42 -4.685 -8.519 -5.564 361 HB ILE 42 HB ILE 42 -7.063 -8.988 -6.129 362 1HG1 ILE 42 2HG1 ILE 42 -7.784 -7.105 -7.990 363 2HG1 ILE 42 1HG1 ILE 42 -6.234 -7.640 -8.632 364 1HG2 ILE 42 1HG2 ILE 42 -6.711 -7.158 -4.661 365 2HG2 ILE 42 2HG2 ILE 42 -7.821 -6.551 -5.890 366 3HG2 ILE 42 3HG2 ILE 42 -6.111 -6.133 -5.962 367 1HD1 ILE 42 1HD1 ILE 42 -7.168 -10.047 -8.206 368 2HD1 ILE 42 2HD1 ILE 42 -7.738 -9.150 -9.611 369 3HD1 ILE 42 3HD1 ILE 42 -8.736 -9.243 -8.162 370 H ARG 43 H ARG 43 -4.915 -8.874 -9.091 371 HA ARG 43 HA ARG 43 -5.264 -11.706 -9.130 372 1HB ARG 43 2HB ARG 43 -5.632 -10.407 -11.139 373 2HB ARG 43 1HB ARG 43 -3.960 -9.845 -11.135 374 1HG ARG 43 2HG ARG 43 -3.122 -12.029 -11.625 375 2HG ARG 43 1HG ARG 43 -4.681 -12.778 -11.285 376 1HD ARG 43 2HD ARG 43 -5.004 -10.755 -13.331 377 2HD ARG 43 1HD ARG 43 -3.730 -11.882 -13.796 378 HE ARG 43 HE ARG 43 -5.348 -13.628 -13.889 379 1HH1 ARG 43 1HH2 ARG 43 -6.589 -10.681 -12.590 380 2HH1 ARG 43 2HH2 ARG 43 -8.241 -11.194 -12.660 381 1HH2 ARG 43 1HH1 ARG 43 -7.498 -14.309 -13.986 382 2HH2 ARG 43 2HH1 ARG 43 -8.755 -13.246 -13.451 383 H TYR 44 H TYR 44 -2.304 -9.709 -9.073 384 HA TYR 44 HA TYR 44 -0.587 -12.077 -9.167 385 1HB TYR 44 2HB TYR 44 -0.102 -9.118 -8.800 386 2HB TYR 44 1HB TYR 44 1.195 -10.294 -8.596 387 HD1 TYR 44 1HD TYR 44 -0.398 -8.204 -10.925 388 HD2 TYR 44 2HD TYR 44 1.298 -12.135 -10.553 389 HE1 TYR 44 1HE TYR 44 -0.102 -8.311 -13.384 390 HE2 TYR 44 2HE TYR 44 1.592 -12.239 -13.014 391 HH TYR 44 HH TYR 44 1.869 -10.316 -14.913 392 H TYR 45 H TYR 45 -1.783 -9.806 -6.741 393 HA TYR 45 HA TYR 45 -0.296 -11.247 -4.629 394 1HB TYR 45 2HB TYR 45 -1.865 -8.666 -4.671 395 2HB TYR 45 1HB TYR 45 -1.259 -9.387 -3.175 396 HD1 TYR 45 1HD TYR 45 -0.136 -8.456 -6.615 397 HD2 TYR 45 2HD TYR 45 0.931 -8.934 -2.489 398 HE1 TYR 45 1HE TYR 45 2.123 -7.595 -7.110 399 HE2 TYR 45 2HE TYR 45 3.193 -8.067 -2.974 400 HH TYR 45 HH TYR 45 4.137 -6.397 -4.989 401 H THR 46 H THR 46 -2.558 -12.513 -6.007 402 HA THR 46 HA THR 46 -4.999 -12.513 -4.672 403 HB THR 46 HB THR 46 -4.887 -15.095 -4.989 404 HG1 THR 46 1HG THR 46 -2.738 -14.566 -6.665 405 1HG2 THR 46 1HG2 THR 46 -4.938 -14.791 -7.516 406 2HG2 THR 46 2HG2 THR 46 -4.531 -13.099 -7.231 407 3HG2 THR 46 3HG2 THR 46 -6.041 -13.761 -6.604 408 H ARG 47 H ARG 47 -1.887 -13.286 -3.433 409 HA ARG 47 HA ARG 47 -2.489 -14.981 -1.249 410 1HB ARG 47 2HB ARG 47 -0.489 -13.755 -0.159 411 2HB ARG 47 1HB ARG 47 -0.187 -14.582 -1.686 412 1HG ARG 47 2HG ARG 47 0.030 -12.616 -2.872 413 2HG ARG 47 1HG ARG 47 -1.059 -11.725 -1.810 414 1HD ARG 47 2HD ARG 47 1.717 -12.653 -1.021 415 2HD ARG 47 1HD ARG 47 1.333 -11.024 -1.572 416 HE ARG 47 HE ARG 47 -0.433 -11.488 0.533 417 1HH1 ARG 47 1HH2 ARG 47 2.972 -11.574 0.000 418 2HH1 ARG 47 2HH2 ARG 47 3.371 -11.127 1.625 419 1HH2 ARG 47 1HH1 ARG 47 0.069 -10.906 2.658 420 2HH2 ARG 47 2HH1 ARG 47 1.728 -10.749 3.130 421 H GLU 48 H GLU 48 -4.550 -14.274 -0.395 422 HA GLU 48 HA GLU 48 -4.278 -12.207 1.664 423 1HB GLU 48 2HB GLU 48 -6.159 -10.840 0.863 424 2HB GLU 48 1HB GLU 48 -4.863 -10.865 -0.332 425 1HG GLU 48 2HG GLU 48 -6.418 -13.082 -1.015 426 2HG GLU 48 1HG GLU 48 -7.610 -11.866 -0.554 427 H ALA 49 H ALA 49 -6.119 -12.223 3.140 428 HA ALA 49 HA ALA 49 -8.070 -14.433 2.771 429 1HB ALA 49 1HB ALA 49 -6.157 -15.405 4.015 430 2HB ALA 49 2HB ALA 49 -7.602 -15.315 5.022 431 3HB ALA 49 3HB ALA 49 -6.310 -14.131 5.226 432 H GLY 50 H GLY 50 -8.940 -11.979 2.463 433 1HA GLY 50 2HA GLY 50 -11.026 -11.403 4.034 434 2HA GLY 50 1HA GLY 50 -9.724 -10.806 5.067 435 H VAL 51 H VAL 51 -11.812 -9.201 3.801 436 HA VAL 51 HA VAL 51 -10.586 -7.821 1.542 437 HB VAL 51 HB VAL 51 -12.476 -6.245 1.795 438 1HG1 VAL 51 1HG1 VAL 51 -14.307 -7.971 1.522 439 2HG1 VAL 51 2HG1 VAL 51 -13.121 -9.201 1.960 440 3HG1 VAL 51 3HG1 VAL 51 -12.894 -8.238 0.499 441 1HG2 VAL 51 1HG2 VAL 51 -12.729 -6.127 4.175 442 2HG2 VAL 51 2HG2 VAL 51 -12.941 -7.873 4.304 443 3HG2 VAL 51 3HG2 VAL 51 -14.202 -6.884 3.568 444 H ARG 52 H ARG 52 -10.960 -7.180 5.021 445 HA ARG 52 HA ARG 52 -10.106 -4.559 5.238 446 1HB ARG 52 2HB ARG 52 -10.617 -6.188 7.133 447 2HB ARG 52 1HB ARG 52 -8.959 -6.765 6.966 448 1HG ARG 52 2HG ARG 52 -8.648 -5.127 8.578 449 2HG ARG 52 1HG ARG 52 -8.396 -4.168 7.120 450 1HD ARG 52 2HD ARG 52 -9.924 -2.977 8.598 451 2HD ARG 52 1HD ARG 52 -10.814 -3.527 7.179 452 HE ARG 52 HE ARG 52 -11.175 -5.577 8.998 453 1HH1 ARG 52 1HH2 ARG 52 -11.565 -2.152 9.002 454 2HH1 ARG 52 2HH2 ARG 52 -12.873 -2.169 10.137 455 1HH2 ARG 52 1HH1 ARG 52 -12.881 -5.618 10.480 456 2HH2 ARG 52 2HH1 ARG 52 -13.618 -4.131 10.974 457 H SER 53 H SER 53 -7.815 -7.319 5.312 458 HA SER 53 HA SER 53 -5.479 -5.738 5.008 459 1HB SER 53 2HB SER 53 -5.958 -8.576 4.066 460 2HB SER 53 1HB SER 53 -4.382 -7.818 4.275 461 HG SER 53 HG SER 53 -6.266 -8.636 6.186 462 H LEU 54 H LEU 54 -7.588 -7.240 2.574 463 HA LEU 54 HA LEU 54 -6.072 -6.707 0.266 464 1HB LEU 54 2HB LEU 54 -8.410 -7.850 0.530 465 2HB LEU 54 1HB LEU 54 -9.048 -6.221 0.319 466 HG LEU 54 HG LEU 54 -7.388 -6.192 -1.756 467 1HD1 LEU 54 1HD1 LEU 54 -6.411 -8.404 -1.263 468 2HD1 LEU 54 2HD1 LEU 54 -7.256 -8.424 -2.810 469 3HD1 LEU 54 3HD1 LEU 54 -8.010 -9.139 -1.385 470 1HD2 LEU 54 1HD2 LEU 54 -9.797 -5.912 -1.953 471 2HD2 LEU 54 2HD2 LEU 54 -10.057 -7.634 -1.672 472 3HD2 LEU 54 3HD2 LEU 54 -9.270 -7.091 -3.154 473 H GLU 55 H GLU 55 -8.608 -4.618 1.668 474 HA GLU 55 HA GLU 55 -8.191 -2.343 0.085 475 1HB GLU 55 2HB GLU 55 -8.815 -2.358 3.055 476 2HB GLU 55 1HB GLU 55 -9.170 -1.059 1.916 477 1HG GLU 55 2HG GLU 55 -10.806 -2.352 0.780 478 2HG GLU 55 1HG GLU 55 -10.253 -3.852 1.525 479 H ARG 56 H ARG 56 -6.427 -3.439 2.972 480 HA ARG 56 HA ARG 56 -4.797 -1.110 3.280 481 1HB ARG 56 2HB ARG 56 -5.052 -3.121 4.875 482 2HB ARG 56 1HB ARG 56 -3.858 -3.924 3.857 483 1HG ARG 56 2HG ARG 56 -2.520 -1.653 4.209 484 2HG ARG 56 1HG ARG 56 -3.527 -1.546 5.653 485 1HD ARG 56 2HD ARG 56 -1.396 -3.530 4.968 486 2HD ARG 56 1HD ARG 56 -1.755 -2.761 6.514 487 HE ARG 56 HE ARG 56 -3.953 -4.351 6.142 488 1HH1 ARG 56 1HH2 ARG 56 -0.550 -4.838 5.885 489 2HH1 ARG 56 2HH2 ARG 56 -0.620 -6.510 6.329 490 1HH2 ARG 56 1HH1 ARG 56 -4.065 -6.534 6.723 491 2HH2 ARG 56 2HH1 ARG 56 -2.610 -7.471 6.804 492 H GLN 57 H GLN 57 -4.359 -4.047 1.317 493 HA GLN 57 HA GLN 57 -1.720 -3.443 0.410 494 1HB GLN 57 2HB GLN 57 -3.155 -5.613 0.123 495 2HB GLN 57 1HB GLN 57 -3.744 -4.827 -1.341 496 1HG GLN 57 2HG GLN 57 -1.879 -6.076 -2.084 497 2HG GLN 57 1HG GLN 57 -1.244 -4.441 -1.900 498 1HE2 GLN 57 1HE2 GLN 57 0.865 -5.846 -1.687 499 2HE2 GLN 57 2HE2 GLN 57 1.277 -6.344 -0.117 500 H LEU 58 H LEU 58 -4.902 -2.725 -1.053 501 HA LEU 58 HA LEU 58 -3.835 -1.295 -3.302 502 1HB LEU 58 2HB LEU 58 -6.499 -0.654 -2.035 503 2HB LEU 58 1HB LEU 58 -6.056 -0.620 -3.741 504 HG LEU 58 HG LEU 58 -6.361 -3.076 -1.997 505 1HD1 LEU 58 1HD1 LEU 58 -7.810 -2.407 -4.558 506 2HD1 LEU 58 2HD1 LEU 58 -8.407 -1.856 -2.994 507 3HD1 LEU 58 3HD1 LEU 58 -8.257 -3.582 -3.323 508 1HD2 LEU 58 1HD2 LEU 58 -4.523 -3.530 -3.451 509 2HD2 LEU 58 2HD2 LEU 58 -5.297 -2.707 -4.805 510 3HD2 LEU 58 3HD2 LEU 58 -5.927 -4.252 -4.236 511 H ALA 59 H ALA 59 -5.039 -0.175 -0.131 512 HA ALA 59 HA ALA 59 -4.608 2.598 -0.541 513 1HB ALA 59 1HB ALA 59 -4.255 1.000 2.018 514 2HB ALA 59 2HB ALA 59 -5.776 1.682 1.442 515 3HB ALA 59 3HB ALA 59 -4.457 2.750 1.919 516 H ALA 60 H ALA 60 -2.422 -0.002 0.426 517 HA ALA 60 HA ALA 60 -0.157 1.585 1.090 518 1HB ALA 60 1HB ALA 60 -0.031 -1.128 -0.239 519 2HB ALA 60 2HB ALA 60 -0.475 -0.919 1.456 520 3HB ALA 60 3HB ALA 60 1.122 -0.422 0.895 521 H ILE 61 H ILE 61 -0.772 -0.124 -2.024 522 HA ILE 61 HA ILE 61 1.419 1.054 -3.384 523 HB ILE 61 HB ILE 61 -0.288 -0.856 -4.090 524 1HG1 ILE 61 2HG1 ILE 61 1.059 1.060 -6.017 525 2HG1 ILE 61 1HG1 ILE 61 1.778 -0.375 -5.285 526 1HG2 ILE 61 1HG2 ILE 61 -1.935 -0.174 -5.693 527 2HG2 ILE 61 2HG2 ILE 61 -1.354 1.490 -5.680 528 3HG2 ILE 61 3HG2 ILE 61 -2.179 0.832 -4.270 529 1HD1 ILE 61 1HD1 ILE 61 -0.436 -0.239 -7.338 530 2HD1 ILE 61 2HD1 ILE 61 -0.141 -1.693 -6.382 531 3HD1 ILE 61 3HD1 ILE 61 1.114 -1.074 -7.457 532 H CYS 62 H CYS 62 -1.949 2.178 -3.124 533 HA CYS 62 HA CYS 62 -1.779 4.403 -4.843 534 1HB CYS 62 2HB CYS 62 -3.433 3.721 -2.446 535 2HB CYS 62 1HB CYS 62 -3.484 5.379 -3.044 536 HG CYS 62 HG CYS 62 -4.144 2.948 -4.905 537 H ARG 63 H ARG 63 -1.665 4.738 -1.273 538 HA ARG 63 HA ARG 63 -0.543 7.322 -1.301 539 1HB ARG 63 2HB ARG 63 0.059 6.968 0.998 540 2HB ARG 63 1HB ARG 63 -1.478 6.155 0.705 541 1HG ARG 63 2HG ARG 63 -0.065 4.050 0.224 542 2HG ARG 63 1HG ARG 63 1.264 4.923 0.985 543 1HD ARG 63 2HD ARG 63 -1.424 4.333 2.260 544 2HD ARG 63 1HD ARG 63 0.097 3.522 2.637 545 HE ARG 63 HE ARG 63 0.299 6.397 2.964 546 1HH1 ARG 63 1HH2 ARG 63 -0.791 3.432 4.346 547 2HH1 ARG 63 2HH2 ARG 63 -0.671 3.995 5.979 548 1HH2 ARG 63 1HH1 ARG 63 0.461 7.149 5.089 549 2HH2 ARG 63 2HH1 ARG 63 0.037 6.100 6.400 550 H LYS 64 H LYS 64 1.161 4.167 -1.173 551 HA LYS 64 HA LYS 64 3.798 5.008 -0.919 552 1HB LYS 64 2HB LYS 64 3.076 2.626 -1.304 553 2HB LYS 64 1HB LYS 64 2.845 3.014 -3.007 554 1HG LYS 64 2HG LYS 64 5.018 2.185 -3.052 555 2HG LYS 64 1HG LYS 64 5.340 3.901 -2.815 556 1HD LYS 64 2HD LYS 64 5.507 3.541 -0.381 557 2HD LYS 64 1HD LYS 64 5.169 1.825 -0.609 558 1HE LYS 64 2HE LYS 64 7.204 1.860 -2.222 559 2HE LYS 64 1HE LYS 64 7.610 3.387 -1.439 560 1HZ LYS 64 1HZ LYS 64 7.307 0.730 -0.159 561 2HZ LYS 64 2HZ LYS 64 7.433 2.181 0.717 562 3HZ LYS 64 3HZ LYS 64 8.716 1.667 -0.271 563 H ALA 65 H ALA 65 1.685 5.202 -3.733 564 HA ALA 65 HA ALA 65 3.677 6.398 -5.473 565 1HB ALA 65 1HB ALA 65 0.670 6.653 -5.726 566 2HB ALA 65 2HB ALA 65 1.539 5.194 -6.206 567 3HB ALA 65 3HB ALA 65 1.872 6.727 -7.013 568 H ALA 66 H ALA 66 1.122 7.612 -3.302 569 HA ALA 66 HA ALA 66 1.279 10.358 -4.054 570 1HB ALA 66 1HB ALA 66 0.753 9.280 -1.270 571 2HB ALA 66 2HB ALA 66 -0.462 9.338 -2.547 572 3HB ALA 66 3HB ALA 66 0.232 10.834 -1.921 573 H LYS 67 H LYS 67 3.174 8.473 -1.711 574 HA LYS 67 HA LYS 67 4.699 10.762 -0.792 575 1HB LYS 67 2HB LYS 67 5.430 7.825 -0.631 576 2HB LYS 67 1HB LYS 67 6.081 9.130 0.362 577 1HG LYS 67 2HG LYS 67 3.804 9.561 1.255 578 2HG LYS 67 1HG LYS 67 3.192 8.207 0.306 579 1HD LYS 67 2HD LYS 67 4.588 6.643 1.518 580 2HD LYS 67 1HD LYS 67 5.406 7.959 2.361 581 1HE LYS 67 2HE LYS 67 3.686 8.248 3.841 582 2HE LYS 67 1HE LYS 67 2.451 7.941 2.621 583 1HZ LYS 67 1HZ LYS 67 2.738 6.219 4.439 584 2HZ LYS 67 2HZ LYS 67 4.183 5.783 3.661 585 3HZ LYS 67 3HZ LYS 67 2.701 5.647 2.842 586 H ALA 68 H ALA 68 5.209 8.218 -3.199 587 HA ALA 68 HA ALA 68 7.910 8.837 -3.854 588 1HB ALA 68 1HB ALA 68 7.372 7.759 -6.058 589 2HB ALA 68 2HB ALA 68 5.677 7.714 -5.572 590 3HB ALA 68 3HB ALA 68 6.879 6.792 -4.668 591 H ILE 69 H ILE 69 5.424 10.935 -3.927 592 HA ILE 69 HA ILE 69 5.699 12.156 -6.525 593 HB ILE 69 HB ILE 69 3.789 12.436 -4.828 594 1HG1 ILE 69 2HG1 ILE 69 3.701 15.028 -5.446 595 2HG1 ILE 69 1HG1 ILE 69 5.073 14.598 -6.466 596 1HG2 ILE 69 1HG2 ILE 69 4.007 13.917 -3.042 597 2HG2 ILE 69 2HG2 ILE 69 5.392 14.741 -3.757 598 3HG2 ILE 69 3HG2 ILE 69 5.591 13.142 -3.041 599 1HD1 ILE 69 1HD1 ILE 69 3.730 12.825 -7.533 600 2HD1 ILE 69 2HD1 ILE 69 2.947 14.396 -7.704 601 3HD1 ILE 69 3HD1 ILE 69 2.359 13.244 -6.505 602 H VAL 70 H VAL 70 8.238 11.616 -5.097 603 HA VAL 70 HA VAL 70 9.468 13.865 -3.974 604 HB VAL 70 HB VAL 70 10.824 12.068 -5.992 605 1HG1 VAL 70 1HG1 VAL 70 11.743 13.582 -3.532 606 2HG1 VAL 70 2HG1 VAL 70 12.215 13.883 -5.205 607 3HG1 VAL 70 3HG1 VAL 70 12.741 12.410 -4.391 608 1HG2 VAL 70 1HG2 VAL 70 9.638 10.579 -4.528 609 2HG2 VAL 70 2HG2 VAL 70 10.051 11.544 -3.110 610 3HG2 VAL 70 3HG2 VAL 70 11.302 10.626 -3.948 611 H ALA 71 H ALA 71 8.096 13.627 -7.054 612 HA ALA 71 HA ALA 71 9.835 15.235 -8.633 613 1HB ALA 71 1HB ALA 71 7.976 15.547 -10.103 614 2HB ALA 71 2HB ALA 71 6.815 15.292 -8.799 615 3HB ALA 71 3HB ALA 71 7.772 13.940 -9.406 616 H GLU 72 H GLU 72 7.727 17.298 -9.270 617 HA GLU 72 HA GLU 72 8.059 19.058 -6.871 618 1HB GLU 72 2HB GLU 72 9.679 19.478 -8.868 619 2HB GLU 72 1HB GLU 72 8.257 20.126 -9.685 620 1HG GLU 72 2HG GLU 72 7.905 21.566 -7.586 621 2HG GLU 72 1HG GLU 72 9.548 21.107 -7.136 622 H GLU 73 H GLU 73 6.452 18.993 -10.082 623 HA GLU 73 HA GLU 73 3.859 19.459 -8.727 624 1HB GLU 73 2HB GLU 73 5.150 21.362 -10.688 625 2HB GLU 73 1HB GLU 73 3.404 21.325 -10.440 626 1HG GLU 73 2HG GLU 73 3.758 21.710 -8.014 627 2HG GLU 73 1HG GLU 73 5.497 21.813 -8.300 628 H ARG 74 H ARG 74 2.368 18.171 -9.686 629 HA ARG 74 HA ARG 74 2.325 17.795 -12.584 630 1HB ARG 74 2HB ARG 74 4.041 16.117 -11.538 631 2HB ARG 74 1HB ARG 74 2.605 15.273 -10.960 632 1HG ARG 74 2HG ARG 74 1.809 15.550 -13.469 633 2HG ARG 74 1HG ARG 74 3.537 15.715 -13.780 634 1HD ARG 74 2HD ARG 74 3.947 13.564 -12.635 635 2HD ARG 74 1HD ARG 74 2.217 13.398 -12.335 636 HE ARG 74 HE ARG 74 2.998 13.723 -15.160 637 1HH1 ARG 74 1HH2 ARG 74 2.194 11.657 -12.514 638 2HH1 ARG 74 2HH2 ARG 74 1.730 10.329 -13.524 639 1HH2 ARG 74 1HH1 ARG 74 2.398 11.997 -16.487 640 2HH2 ARG 74 2HH1 ARG 74 1.846 10.520 -15.770 641 H LYS 75 H LYS 75 0.366 16.582 -13.240 642 HA LYS 75 HA LYS 75 -1.900 17.236 -11.592 643 1HB LYS 75 2HB LYS 75 -1.724 15.343 -13.957 644 2HB LYS 75 1HB LYS 75 -3.209 16.011 -13.282 645 1HG LYS 75 2HG LYS 75 -2.440 18.289 -13.809 646 2HG LYS 75 1HG LYS 75 -0.939 17.635 -14.467 647 1HD LYS 75 2HD LYS 75 -2.217 16.390 -16.167 648 2HD LYS 75 1HD LYS 75 -3.723 17.029 -15.509 649 1HE LYS 75 2HE LYS 75 -1.473 18.749 -16.588 650 2HE LYS 75 1HE LYS 75 -2.905 18.295 -17.512 651 1HZ LYS 75 1HZ LYS 75 -4.137 19.242 -15.452 652 2HZ LYS 75 2HZ LYS 75 -3.532 20.301 -16.635 653 3HZ LYS 75 3HZ LYS 75 -2.683 20.071 -15.182 654 H ARG 76 H ARG 76 -3.569 15.081 -11.546 655 HA ARG 76 HA ARG 76 -2.780 13.641 -9.257 656 1HB ARG 76 2HB ARG 76 -4.607 12.309 -11.220 657 2HB ARG 76 1HB ARG 76 -4.773 12.480 -9.474 658 1HG ARG 76 2HG ARG 76 -6.363 14.016 -10.170 659 2HG ARG 76 1HG ARG 76 -4.949 15.066 -10.087 660 1HD ARG 76 2HD ARG 76 -4.638 14.193 -12.608 661 2HD ARG 76 1HD ARG 76 -6.387 14.007 -12.481 662 HE ARG 76 HE ARG 76 -5.501 16.604 -11.534 663 1HH1 ARG 76 1HH2 ARG 76 -6.237 14.655 -14.281 664 2HH1 ARG 76 2HH2 ARG 76 -6.660 15.999 -15.287 665 1HH2 ARG 76 1HH1 ARG 76 -6.050 18.371 -12.832 666 2HH2 ARG 76 2HH1 ARG 76 -6.555 18.103 -14.468 667 H ILE 77 H ILE 77 -2.091 11.413 -9.011 668 HA ILE 77 HA ILE 77 -0.156 10.612 -11.072 669 HB ILE 77 HB ILE 77 -0.851 9.076 -8.562 670 1HG1 ILE 77 2HG1 ILE 77 0.993 11.464 -8.895 671 2HG1 ILE 77 1HG1 ILE 77 -0.443 11.379 -7.875 672 1HG2 ILE 77 1HG2 ILE 77 0.650 8.104 -10.368 673 2HG2 ILE 77 2HG2 ILE 77 1.385 8.227 -8.770 674 3HG2 ILE 77 3HG2 ILE 77 1.783 9.409 -10.017 675 1HD1 ILE 77 1HD1 ILE 77 2.161 9.880 -7.534 676 2HD1 ILE 77 2HD1 ILE 77 0.689 9.433 -6.672 677 3HD1 ILE 77 3HD1 ILE 77 1.415 11.020 -6.415 678 H THR 78 H THR 78 -0.819 9.395 -12.768 679 HA THR 78 HA THR 78 -3.288 7.792 -12.553 680 HB THR 78 HB THR 78 -1.465 7.950 -14.956 681 HG1 THR 78 1HG THR 78 -2.969 9.718 -15.518 682 1HG2 THR 78 1HG2 THR 78 -3.484 7.481 -16.180 683 2HG2 THR 78 2HG2 THR 78 -4.474 7.711 -14.740 684 3HG2 THR 78 3HG2 THR 78 -3.395 6.322 -14.855 685 H VAL 79 H VAL 79 -3.293 5.597 -12.266 686 HA VAL 79 HA VAL 79 -0.637 4.231 -12.177 687 HB VAL 79 HB VAL 79 -3.205 3.021 -11.180 688 1HG1 VAL 79 1HG1 VAL 79 -0.959 1.800 -11.311 689 2HG1 VAL 79 2HG1 VAL 79 -1.756 1.797 -9.738 690 3HG1 VAL 79 3HG1 VAL 79 -0.409 2.893 -10.042 691 1HG2 VAL 79 1HG2 VAL 79 -1.549 5.189 -9.879 692 2HG2 VAL 79 2HG2 VAL 79 -2.541 4.081 -8.932 693 3HG2 VAL 79 3HG2 VAL 79 -3.295 5.149 -10.115 694 H THR 80 H THR 80 -0.535 2.015 -13.069 695 HA THR 80 HA THR 80 -2.634 1.164 -14.923 696 HB THR 80 HB THR 80 0.072 1.774 -16.120 697 HG1 THR 80 1HG THR 80 -1.547 3.530 -17.026 698 1HG2 THR 80 1HG2 THR 80 -1.272 1.713 -18.218 699 2HG2 THR 80 2HG2 THR 80 -2.695 1.297 -17.261 700 3HG2 THR 80 3HG2 THR 80 -1.325 0.188 -17.334 701 H GLU 81 H GLU 81 -2.105 -0.976 -15.859 702 HA GLU 81 HA GLU 81 -1.039 -2.807 -14.045 703 1HB GLU 81 2HB GLU 81 -1.015 -4.412 -15.824 704 2HB GLU 81 1HB GLU 81 -2.346 -3.312 -16.173 705 1HG GLU 81 2HG GLU 81 -1.291 -3.387 -18.248 706 2HG GLU 81 1HG GLU 81 -0.497 -1.989 -17.525 707 H LYS 82 H LYS 82 0.657 -0.700 -16.241 708 HA LYS 82 HA LYS 82 3.213 -2.133 -15.897 709 1HB LYS 82 2HB LYS 82 2.748 -1.062 -18.058 710 2HB LYS 82 1HB LYS 82 2.555 0.499 -17.259 711 1HG LYS 82 2HG LYS 82 4.860 0.561 -16.619 712 2HG LYS 82 1HG LYS 82 5.096 -1.131 -17.060 713 1HD LYS 82 2HD LYS 82 4.907 -0.659 -19.386 714 2HD LYS 82 1HD LYS 82 4.256 0.953 -19.082 715 1HE LYS 82 2HE LYS 82 6.726 0.839 -19.758 716 2HE LYS 82 1HE LYS 82 6.355 1.765 -18.303 717 1HZ LYS 82 1HZ LYS 82 8.255 0.132 -18.151 718 2HZ LYS 82 2HZ LYS 82 7.086 -1.100 -18.203 719 3HZ LYS 82 3HZ LYS 82 7.079 0.029 -16.934 720 H ASN 83 H ASN 83 1.966 1.142 -15.140 721 HA ASN 83 HA ASN 83 4.096 2.105 -13.627 722 1HB ASN 83 2HB ASN 83 1.435 2.866 -14.063 723 2HB ASN 83 1HB ASN 83 1.547 2.691 -12.313 724 1HD2 ASN 83 1HD2 ASN 83 3.966 3.830 -14.742 725 2HD2 ASN 83 2HD2 ASN 83 4.245 5.320 -13.979 726 H LEU 84 H LEU 84 1.544 -0.142 -12.615 727 HA LEU 84 HA LEU 84 1.878 -0.343 -9.892 728 1HB LEU 84 2HB LEU 84 0.346 -1.821 -11.022 729 2HB LEU 84 1HB LEU 84 1.657 -2.591 -11.914 730 HG LEU 84 HG LEU 84 1.999 -2.657 -8.974 731 1HD1 LEU 84 1HD1 LEU 84 -0.266 -4.169 -10.310 732 2HD1 LEU 84 2HD1 LEU 84 -0.424 -2.949 -9.046 733 3HD1 LEU 84 3HD1 LEU 84 0.345 -4.496 -8.689 734 1HD2 LEU 84 1HD2 LEU 84 2.046 -4.777 -11.150 735 2HD2 LEU 84 2HD2 LEU 84 2.597 -5.002 -9.491 736 3HD2 LEU 84 3HD2 LEU 84 3.448 -3.887 -10.559 737 H GLN 85 H GLN 85 4.056 -1.736 -12.347 738 HA GLN 85 HA GLN 85 5.843 -3.009 -10.526 739 1HB GLN 85 2HB GLN 85 5.956 -3.477 -12.913 740 2HB GLN 85 1HB GLN 85 6.356 -1.794 -13.259 741 1HG GLN 85 2HG GLN 85 8.493 -1.977 -12.244 742 2HG GLN 85 1HG GLN 85 8.069 -3.487 -11.436 743 1HE2 GLN 85 1HE2 GLN 85 8.901 -2.074 -14.597 744 2HE2 GLN 85 2HE2 GLN 85 9.255 -3.554 -15.351 745 H ASP 86 H ASP 86 6.106 0.198 -12.098 746 HA ASP 86 HA ASP 86 8.423 1.140 -10.892 747 1HB ASP 86 2HB ASP 86 7.117 2.445 -12.532 748 2HB ASP 86 1HB ASP 86 5.866 2.716 -11.319 749 H PHE 87 H PHE 87 5.167 0.988 -9.457 750 HA PHE 87 HA PHE 87 6.082 2.245 -6.975 751 1HB PHE 87 2HB PHE 87 3.512 0.771 -7.634 752 2HB PHE 87 1HB PHE 87 3.811 1.666 -6.145 753 HD1 PHE 87 1HD PHE 87 2.297 1.906 -9.266 754 HD2 PHE 87 2HD PHE 87 4.857 4.145 -6.639 755 HE1 PHE 87 1HE PHE 87 1.605 4.007 -10.381 756 HE2 PHE 87 2HE PHE 87 4.166 6.244 -7.759 757 HZ PHE 87 HZ PHE 87 2.539 6.177 -9.630 758 H ILE 88 H ILE 88 4.495 -0.923 -7.404 759 HA ILE 88 HA ILE 88 5.652 -2.023 -5.038 760 HB ILE 88 HB ILE 88 4.006 -2.962 -7.278 761 1HG1 ILE 88 2HG1 ILE 88 4.045 -3.897 -4.409 762 2HG1 ILE 88 1HG1 ILE 88 3.317 -2.363 -4.886 763 1HG2 ILE 88 1HG2 ILE 88 5.898 -4.848 -5.865 764 2HG2 ILE 88 2HG2 ILE 88 5.668 -4.646 -7.603 765 3HG2 ILE 88 3HG2 ILE 88 4.405 -5.390 -6.629 766 1HD1 ILE 88 1HD1 ILE 88 2.574 -5.064 -6.049 767 2HD1 ILE 88 2HD1 ILE 88 1.808 -3.521 -6.425 768 3HD1 ILE 88 3HD1 ILE 88 1.650 -4.212 -4.811 769 H GLY 89 H GLY 89 6.427 -2.802 -8.459 770 1HA GLY 89 2HA GLY 89 8.803 -2.777 -9.179 771 2HA GLY 89 1HA GLY 89 9.234 -3.349 -7.568 772 H LYS 90 H LYS 90 9.498 -5.512 -7.345 773 HA LYS 90 HA LYS 90 8.810 -7.262 -9.621 774 1HB LYS 90 2HB LYS 90 10.522 -7.487 -7.172 775 2HB LYS 90 1HB LYS 90 9.919 -8.978 -7.898 776 1HG LYS 90 2HG LYS 90 12.125 -8.359 -8.827 777 2HG LYS 90 1HG LYS 90 10.873 -8.320 -10.071 778 1HD LYS 90 2HD LYS 90 10.733 -5.932 -9.986 779 2HD LYS 90 1HD LYS 90 11.709 -5.861 -8.518 780 1HE LYS 90 2HE LYS 90 13.689 -6.481 -9.673 781 2HE LYS 90 1HE LYS 90 12.788 -7.032 -11.085 782 1HZ LYS 90 1HZ LYS 90 12.423 -4.252 -10.298 783 2HZ LYS 90 2HZ LYS 90 12.514 -4.941 -11.848 784 3HZ LYS 90 3HZ LYS 90 13.932 -4.657 -10.957 785 H ARG 91 H ARG 91 7.320 -8.970 -9.498 786 HA ARG 91 HA ARG 91 5.328 -8.728 -7.317 787 1HB ARG 91 2HB ARG 91 5.305 -10.292 -9.918 788 2HB ARG 91 1HB ARG 91 3.980 -10.269 -8.758 789 1HG ARG 91 2HG ARG 91 3.283 -8.564 -10.161 790 2HG ARG 91 1HG ARG 91 4.252 -7.626 -9.027 791 1HD ARG 91 2HD ARG 91 6.165 -7.694 -10.534 792 2HD ARG 91 1HD ARG 91 5.300 -8.764 -11.636 793 HE ARG 91 HE ARG 91 3.882 -6.268 -11.171 794 1HH1 ARG 91 1HH2 ARG 91 6.381 -7.885 -12.911 795 2HH1 ARG 91 2HH2 ARG 91 6.312 -6.812 -14.269 796 1HH2 ARG 91 1HH1 ARG 91 3.777 -4.858 -12.934 797 2HH2 ARG 91 2HH1 ARG 91 4.838 -5.098 -14.282 798 H ILE 92 H ILE 92 4.307 -11.154 -6.954 799 HA ILE 92 HA ILE 92 6.592 -12.724 -5.855 800 HB ILE 92 HB ILE 92 3.627 -12.741 -5.222 801 1HG1 ILE 92 2HG1 ILE 92 5.966 -12.064 -3.426 802 2HG1 ILE 92 1HG1 ILE 92 5.145 -10.842 -4.398 803 1HG2 ILE 92 1HG2 ILE 92 4.357 -14.990 -4.926 804 2HG2 ILE 92 2HG2 ILE 92 4.428 -14.266 -3.321 805 3HG2 ILE 92 3HG2 ILE 92 5.907 -14.478 -4.258 806 1HD1 ILE 92 1HD1 ILE 92 3.100 -11.131 -3.247 807 2HD1 ILE 92 2HD1 ILE 92 4.317 -11.186 -1.972 808 3HD1 ILE 92 3HD1 ILE 92 3.600 -12.682 -2.572 809 H PHE 93 H PHE 93 3.548 -13.158 -7.676 810 HA PHE 93 HA PHE 93 4.300 -15.925 -8.359 811 1HB PHE 93 2HB PHE 93 1.954 -14.241 -9.289 812 2HB PHE 93 1HB PHE 93 2.148 -15.974 -9.547 813 HD1 PHE 93 1HD PHE 93 2.037 -13.414 -6.815 814 HD2 PHE 93 2HD PHE 93 1.322 -17.492 -7.959 815 HE1 PHE 93 1HE PHE 93 1.011 -13.854 -4.602 816 HE2 PHE 93 2HE PHE 93 0.296 -17.932 -5.744 817 HZ PHE 93 HZ PHE 93 0.139 -16.113 -4.066 818 H ARG 94 H ARG 94 6.330 -15.081 -9.464 819 HA ARG 94 HA ARG 94 5.983 -13.618 -11.963 820 1HB ARG 94 2HB ARG 94 8.103 -13.976 -10.290 821 2HB ARG 94 1HB ARG 94 8.485 -15.167 -11.530 822 1HG ARG 94 2HG ARG 94 8.061 -13.325 -13.246 823 2HG ARG 94 1HG ARG 94 8.041 -12.196 -11.891 824 1HD ARG 94 2HD ARG 94 10.287 -12.108 -12.485 825 2HD ARG 94 1HD ARG 94 10.326 -13.391 -11.276 826 HE ARG 94 HE ARG 94 9.887 -14.769 -13.620 827 1HH1 ARG 94 1HH2 ARG 94 12.114 -12.356 -12.570 828 2HH1 ARG 94 2HH2 ARG 94 13.395 -12.900 -13.599 829 1HH2 ARG 94 1HH1 ARG 94 11.547 -15.494 -14.972 830 2HH2 ARG 94 2HH1 ARG 94 13.075 -14.676 -14.960 831 H TYR 95 H TYR 95 4.513 -14.933 -13.164 832 HA TYR 95 HA TYR 95 5.373 -17.694 -13.828 833 1HB TYR 95 2HB TYR 95 3.007 -17.356 -13.286 834 2HB TYR 95 1HB TYR 95 2.871 -16.139 -14.557 835 HD1 TYR 95 1HD TYR 95 3.546 -19.740 -13.906 836 HD2 TYR 95 2HD TYR 95 2.576 -16.759 -16.842 837 HE1 TYR 95 1HE TYR 95 3.089 -21.525 -15.567 838 HE2 TYR 95 2HE TYR 95 2.118 -18.543 -18.502 839 HH TYR 95 HH TYR 95 1.370 -21.273 -18.106 Start of MODEL 14 1 H ALA 1 H ALA 1 -18.273 -10.700 9.175 2 HA ALA 1 HA ALA 1 -16.323 -12.211 8.276 3 1HB ALA 1 1HB ALA 1 -18.390 -13.342 10.186 4 2HB ALA 1 2HB ALA 1 -16.972 -12.387 10.622 5 3HB ALA 1 3HB ALA 1 -16.774 -14.008 9.954 6 H GLY 2 H GLY 2 -17.897 -12.246 6.036 7 1HA GLY 2 2HA GLY 2 -17.791 -15.021 5.257 8 2HA GLY 2 1HA GLY 2 -19.462 -14.502 5.480 9 H TYR 3 H TYR 3 -16.667 -12.691 4.198 10 HA TYR 3 HA TYR 3 -18.298 -11.712 1.982 11 1HB TYR 3 2HB TYR 3 -16.408 -10.372 1.403 12 2HB TYR 3 1HB TYR 3 -16.435 -10.415 3.165 13 HD1 TYR 3 1HD TYR 3 -14.853 -11.910 0.149 14 HD2 TYR 3 2HD TYR 3 -14.655 -11.402 4.408 15 HE1 TYR 3 1HE TYR 3 -12.573 -12.881 0.157 16 HE2 TYR 3 2HE TYR 3 -12.375 -12.373 4.418 17 HH TYR 3 HH TYR 3 -11.110 -14.121 1.940 18 H THR 4 H THR 4 -18.288 -12.461 -0.113 19 HA THR 4 HA THR 4 -16.486 -14.780 -0.714 20 HB THR 4 HB THR 4 -18.325 -15.454 -2.329 21 HG1 THR 4 1HG THR 4 -19.242 -13.216 -2.090 22 1HG2 THR 4 1HG2 THR 4 -18.965 -15.300 0.629 23 2HG2 THR 4 2HG2 THR 4 -18.072 -16.585 -0.185 24 3HG2 THR 4 3HG2 THR 4 -19.787 -16.355 -0.521 25 H GLU 5 H GLU 5 -16.642 -15.004 -3.359 26 HA GLU 5 HA GLU 5 -14.993 -13.018 -4.433 27 1HB GLU 5 2HB GLU 5 -17.050 -14.404 -6.150 28 2HB GLU 5 1HB GLU 5 -15.384 -13.984 -6.548 29 1HG GLU 5 2HG GLU 5 -16.334 -16.154 -4.661 30 2HG GLU 5 1HG GLU 5 -15.427 -16.355 -6.160 31 H ILE 6 H ILE 6 -18.554 -13.220 -4.644 32 HA ILE 6 HA ILE 6 -19.034 -10.932 -6.198 33 HB ILE 6 HB ILE 6 -20.649 -11.837 -3.794 34 1HG1 ILE 6 2HG1 ILE 6 -20.982 -12.624 -6.702 35 2HG1 ILE 6 1HG1 ILE 6 -20.118 -13.618 -5.528 36 1HG2 ILE 6 1HG2 ILE 6 -21.372 -9.665 -4.558 37 2HG2 ILE 6 2HG2 ILE 6 -22.528 -10.850 -5.165 38 3HG2 ILE 6 3HG2 ILE 6 -21.305 -10.180 -6.244 39 1HD1 ILE 6 1HD1 ILE 6 -22.994 -12.703 -5.228 40 2HD1 ILE 6 2HD1 ILE 6 -22.121 -13.777 -4.135 41 3HD1 ILE 6 3HD1 ILE 6 -22.500 -14.306 -5.775 42 H GLU 7 H GLU 7 -19.007 -11.038 -2.611 43 HA GLU 7 HA GLU 7 -19.196 -8.303 -2.102 44 1HB GLU 7 2HB GLU 7 -17.930 -10.608 -0.702 45 2HB GLU 7 1HB GLU 7 -17.403 -9.007 -0.185 46 1HG GLU 7 2HG GLU 7 -19.303 -9.682 1.174 47 2HG GLU 7 1HG GLU 7 -19.807 -8.367 0.113 48 H LYS 8 H LYS 8 -16.120 -10.107 -2.470 49 HA LYS 8 HA LYS 8 -14.305 -8.019 -2.394 50 1HB LYS 8 2HB LYS 8 -14.418 -10.576 -3.943 51 2HB LYS 8 1HB LYS 8 -13.171 -9.410 -4.384 52 1HG LYS 8 2HG LYS 8 -12.236 -9.431 -2.190 53 2HG LYS 8 1HG LYS 8 -13.629 -10.287 -1.526 54 1HD LYS 8 2HD LYS 8 -13.007 -12.326 -2.487 55 2HD LYS 8 1HD LYS 8 -12.024 -11.554 -3.732 56 1HE LYS 8 2HE LYS 8 -11.255 -11.253 -0.841 57 2HE LYS 8 1HE LYS 8 -10.840 -12.734 -1.707 58 1HZ LYS 8 1HZ LYS 8 -10.182 -10.003 -2.664 59 2HZ LYS 8 2HZ LYS 8 -9.665 -11.475 -3.337 60 3HZ LYS 8 3HZ LYS 8 -9.105 -10.994 -1.806 61 H LEU 9 H LEU 9 -16.292 -8.964 -5.212 62 HA LEU 9 HA LEU 9 -15.181 -6.939 -6.940 63 1HB LEU 9 2HB LEU 9 -17.833 -8.406 -7.026 64 2HB LEU 9 1HB LEU 9 -17.245 -7.357 -8.314 65 HG LEU 9 HG LEU 9 -15.623 -9.688 -7.272 66 1HD1 LEU 9 1HD1 LEU 9 -16.471 -10.859 -9.369 67 2HD1 LEU 9 2HD1 LEU 9 -17.714 -9.610 -9.459 68 3HD1 LEU 9 3HD1 LEU 9 -17.648 -10.690 -8.067 69 1HD2 LEU 9 1HD2 LEU 9 -15.536 -7.881 -9.695 70 2HD2 LEU 9 2HD2 LEU 9 -14.745 -9.455 -9.703 71 3HD2 LEU 9 3HD2 LEU 9 -14.251 -8.228 -8.539 72 H GLU 10 H GLU 10 -18.077 -7.049 -4.874 73 HA GLU 10 HA GLU 10 -19.141 -4.516 -5.579 74 1HB GLU 10 2HB GLU 10 -19.224 -5.955 -2.910 75 2HB GLU 10 1HB GLU 10 -20.252 -4.592 -3.355 76 1HG GLU 10 2HG GLU 10 -20.128 -7.184 -4.919 77 2HG GLU 10 1HG GLU 10 -21.340 -6.840 -3.685 78 H ILE 11 H ILE 11 -16.869 -5.351 -2.935 79 HA ILE 11 HA ILE 11 -16.525 -2.551 -2.207 80 HB ILE 11 HB ILE 11 -14.427 -3.692 -0.998 81 1HG1 ILE 11 2HG1 ILE 11 -16.247 -6.068 -1.029 82 2HG1 ILE 11 1HG1 ILE 11 -15.166 -5.852 -2.405 83 1HG2 ILE 11 1HG2 ILE 11 -16.042 -4.367 0.843 84 2HG2 ILE 11 2HG2 ILE 11 -17.352 -3.977 -0.272 85 3HG2 ILE 11 3HG2 ILE 11 -16.230 -2.718 0.246 86 1HD1 ILE 11 1HD1 ILE 11 -14.023 -5.552 0.346 87 2HD1 ILE 11 2HD1 ILE 11 -13.255 -6.135 -1.130 88 3HD1 ILE 11 3HD1 ILE 11 -14.368 -7.176 -0.245 89 H VAL 12 H VAL 12 -14.103 -4.906 -3.417 90 HA VAL 12 HA VAL 12 -12.039 -3.224 -4.047 91 HB VAL 12 HB VAL 12 -13.082 -5.409 -5.875 92 1HG1 VAL 12 1HG1 VAL 12 -10.432 -3.968 -5.668 93 2HG1 VAL 12 2HG1 VAL 12 -11.471 -4.124 -7.083 94 3HG1 VAL 12 3HG1 VAL 12 -10.601 -5.530 -6.469 95 1HG2 VAL 12 1HG2 VAL 12 -11.782 -6.929 -4.608 96 2HG2 VAL 12 2HG2 VAL 12 -12.553 -5.923 -3.382 97 3HG2 VAL 12 3HG2 VAL 12 -10.872 -5.635 -3.828 98 H LYS 13 H LYS 13 -15.020 -3.548 -5.968 99 HA LYS 13 HA LYS 13 -13.997 -1.632 -7.929 100 1HB LYS 13 2HB LYS 13 -15.583 -3.464 -8.557 101 2HB LYS 13 1HB LYS 13 -16.824 -2.679 -7.582 102 1HG LYS 13 2HG LYS 13 -15.489 -0.881 -9.517 103 2HG LYS 13 1HG LYS 13 -16.410 -2.188 -10.258 104 1HD LYS 13 2HD LYS 13 -18.413 -1.545 -9.059 105 2HD LYS 13 1HD LYS 13 -17.520 -0.350 -8.119 106 1HE LYS 13 2HE LYS 13 -18.806 0.646 -10.031 107 2HE LYS 13 1HE LYS 13 -17.073 0.965 -10.109 108 1HZ LYS 13 1HZ LYS 13 -17.726 0.268 -12.248 109 2HZ LYS 13 2HZ LYS 13 -18.622 -1.042 -11.643 110 3HZ LYS 13 3HZ LYS 13 -16.926 -1.058 -11.559 111 H ASP 14 H ASP 14 -16.606 -1.581 -5.477 112 HA ASP 14 HA ASP 14 -17.247 1.185 -5.861 113 1HB ASP 14 2HB ASP 14 -18.671 -0.505 -4.646 114 2HB ASP 14 1HB ASP 14 -17.539 -0.403 -3.297 115 H HIS 15 H HIS 15 -15.714 -0.141 -2.929 116 HA HIS 15 HA HIS 15 -14.690 2.130 -1.812 117 1HB HIS 15 2HB HIS 15 -13.472 0.740 -0.497 118 2HB HIS 15 1HB HIS 15 -14.307 -0.536 -1.377 119 HD1 HIS 15 1HD HIS 15 -11.032 0.310 -0.398 120 HD2 HIS 15 2HD HIS 15 -12.647 -1.018 -4.011 121 HE1 HIS 15 1HE HIS 15 -9.107 -0.648 -1.737 122 HE2 HIS 15 2HE HIS 15 -10.080 -1.466 -3.932 123 H LEU 16 H LEU 16 -13.334 0.454 -4.607 124 HA LEU 16 HA LEU 16 -10.854 1.472 -4.982 125 1HB LEU 16 2HB LEU 16 -12.675 0.341 -6.649 126 2HB LEU 16 1HB LEU 16 -12.606 1.963 -7.330 127 HG LEU 16 HG LEU 16 -10.225 0.165 -6.814 128 1HD1 LEU 16 1HD1 LEU 16 -11.415 -0.684 -8.705 129 2HD1 LEU 16 2HD1 LEU 16 -10.101 0.291 -9.366 130 3HD1 LEU 16 3HD1 LEU 16 -11.741 0.939 -9.315 131 1HD2 LEU 16 1HD2 LEU 16 -9.136 2.012 -8.285 132 2HD2 LEU 16 2HD2 LEU 16 -9.437 2.386 -6.589 133 3HD2 LEU 16 3HD2 LEU 16 -10.530 2.991 -7.833 134 H LEU 17 H LEU 17 -13.815 3.443 -5.412 135 HA LEU 17 HA LEU 17 -12.215 5.753 -6.210 136 1HB LEU 17 2HB LEU 17 -15.102 5.138 -5.951 137 2HB LEU 17 1HB LEU 17 -14.661 6.823 -5.682 138 HG LEU 17 HG LEU 17 -15.208 6.320 -8.064 139 1HD1 LEU 17 1HD1 LEU 17 -13.240 7.934 -7.108 140 2HD1 LEU 17 2HD1 LEU 17 -13.660 7.819 -8.815 141 3HD1 LEU 17 3HD1 LEU 17 -12.298 6.899 -8.182 142 1HD2 LEU 17 1HD2 LEU 17 -12.613 4.808 -8.252 143 2HD2 LEU 17 2HD2 LEU 17 -13.999 4.783 -9.342 144 3HD2 LEU 17 3HD2 LEU 17 -14.087 3.955 -7.787 145 HA PRO 18 HA PRO 18 -13.511 7.716 -2.011 146 1HB PRO 18 2HB PRO 18 -14.700 6.003 -0.170 147 2HB PRO 18 1HB PRO 18 -15.576 7.120 -1.232 148 1HG PRO 18 2HG PRO 18 -15.085 4.208 -1.545 149 2HG PRO 18 1HG PRO 18 -16.534 5.153 -1.920 150 1HD PRO 18 2HD PRO 18 -14.843 4.337 -3.861 151 2HD PRO 18 1HD PRO 18 -15.690 5.898 -3.952 152 H LYS 19 H LYS 19 -12.887 4.232 -1.389 153 HA LYS 19 HA LYS 19 -11.354 4.349 0.879 154 1HB LYS 19 2HB LYS 19 -11.846 2.337 -0.697 155 2HB LYS 19 1HB LYS 19 -10.312 2.755 -1.455 156 1HG LYS 19 2HG LYS 19 -9.606 1.245 0.176 157 2HG LYS 19 1HG LYS 19 -9.422 2.777 1.028 158 1HD LYS 19 2HD LYS 19 -11.598 2.477 2.110 159 2HD LYS 19 1HD LYS 19 -11.870 0.992 1.199 160 1HE LYS 19 2HE LYS 19 -10.885 0.925 3.675 161 2HE LYS 19 1HE LYS 19 -10.341 -0.218 2.449 162 1HZ LYS 19 1HZ LYS 19 -8.524 1.354 1.928 163 2HZ LYS 19 2HZ LYS 19 -8.442 0.730 3.507 164 3HZ LYS 19 3HZ LYS 19 -9.007 2.311 3.242 165 H GLN 20 H GLN 20 -9.924 4.756 -2.387 166 HA GLN 20 HA GLN 20 -7.410 5.703 -1.225 167 1HB GLN 20 2HB GLN 20 -8.137 6.025 -4.124 168 2HB GLN 20 1HB GLN 20 -6.566 5.676 -3.404 169 1HG GLN 20 2HG GLN 20 -8.924 3.767 -3.463 170 2HG GLN 20 1HG GLN 20 -7.519 3.683 -4.523 171 1HE2 GLN 20 1HE2 GLN 20 -8.196 3.884 -0.975 172 2HE2 GLN 20 2HE2 GLN 20 -6.969 2.795 -0.538 173 H ILE 21 H ILE 21 -9.998 7.206 -3.178 174 HA ILE 21 HA ILE 21 -8.960 9.780 -3.374 175 HB ILE 21 HB ILE 21 -11.803 8.817 -3.108 176 1HG1 ILE 21 2HG1 ILE 21 -10.603 8.295 -5.196 177 2HG1 ILE 21 1HG1 ILE 21 -11.882 9.466 -5.495 178 1HG2 ILE 21 1HG2 ILE 21 -10.777 11.645 -3.339 179 2HG2 ILE 21 2HG2 ILE 21 -11.996 11.006 -2.235 180 3HG2 ILE 21 3HG2 ILE 21 -12.368 11.188 -3.950 181 1HD1 ILE 21 1HD1 ILE 21 -8.929 9.806 -5.645 182 2HD1 ILE 21 2HD1 ILE 21 -9.830 11.168 -4.982 183 3HD1 ILE 21 3HD1 ILE 21 -10.198 10.570 -6.596 184 H LYS 22 H LYS 22 -10.630 8.400 -0.540 185 HA LYS 22 HA LYS 22 -10.832 10.898 0.847 186 1HB LYS 22 2HB LYS 22 -10.812 8.025 1.760 187 2HB LYS 22 1HB LYS 22 -10.924 9.352 2.915 188 1HG LYS 22 2HG LYS 22 -12.775 9.328 0.549 189 2HG LYS 22 1HG LYS 22 -13.122 8.264 1.911 190 1HD LYS 22 2HD LYS 22 -12.483 11.154 2.441 191 2HD LYS 22 1HD LYS 22 -14.096 10.717 1.879 192 1HE LYS 22 2HE LYS 22 -14.545 9.415 3.782 193 2HE LYS 22 1HE LYS 22 -12.838 9.239 4.184 194 1HZ LYS 22 1HZ LYS 22 -14.483 11.007 5.335 195 2HZ LYS 22 2HZ LYS 22 -13.799 11.965 4.109 196 3HZ LYS 22 3HZ LYS 22 -12.800 11.193 5.246 197 H GLU 23 H GLU 23 -8.783 8.306 2.124 198 HA GLU 23 HA GLU 23 -7.027 9.864 3.585 199 1HB GLU 23 2HB GLU 23 -6.063 7.530 1.917 200 2HB GLU 23 1HB GLU 23 -5.453 8.064 3.484 201 1HG GLU 23 2HG GLU 23 -7.743 7.563 4.439 202 2HG GLU 23 1HG GLU 23 -8.145 6.808 2.896 203 H HIS 24 H HIS 24 -6.933 9.212 0.131 204 HA HIS 24 HA HIS 24 -4.489 10.779 -0.265 205 1HB HIS 24 2HB HIS 24 -6.429 9.828 -2.386 206 2HB HIS 24 1HB HIS 24 -4.717 10.212 -2.580 207 HD1 HIS 24 1HD HIS 24 -6.220 8.106 0.207 208 HD2 HIS 24 2HD HIS 24 -3.720 7.641 -3.095 209 HE1 HIS 24 1HE HIS 24 -5.283 5.756 0.339 210 HE2 HIS 24 2HE HIS 24 -3.762 5.464 -1.666 211 H GLY 25 H GLY 25 -7.967 11.180 -0.662 212 1HA GLY 25 2HA GLY 25 -8.281 13.487 -2.108 213 2HA GLY 25 1HA GLY 25 -9.220 13.186 -0.648 214 H LEU 26 H LEU 26 -7.016 13.300 1.211 215 HA LEU 26 HA LEU 26 -6.996 15.900 2.076 216 1HB LEU 26 2HB LEU 26 -5.746 14.575 3.501 217 2HB LEU 26 1HB LEU 26 -4.958 13.722 2.178 218 HG LEU 26 HG LEU 26 -3.512 15.653 1.757 219 1HD1 LEU 26 1HD1 LEU 26 -4.197 17.707 2.398 220 2HD1 LEU 26 2HD1 LEU 26 -3.903 17.246 4.072 221 3HD1 LEU 26 3HD1 LEU 26 -5.499 17.018 3.363 222 1HD2 LEU 26 1HD2 LEU 26 -2.133 15.444 3.709 223 2HD2 LEU 26 2HD2 LEU 26 -2.968 13.902 3.519 224 3HD2 LEU 26 3HD2 LEU 26 -3.522 15.062 4.725 225 H LYS 27 H LYS 27 -4.998 14.590 -0.524 226 HA LYS 27 HA LYS 27 -4.288 17.384 -1.340 227 1HB LYS 27 2HB LYS 27 -2.766 14.813 -1.357 228 2HB LYS 27 1HB LYS 27 -2.548 15.860 -2.758 229 1HG LYS 27 2HG LYS 27 -1.982 17.744 -1.249 230 2HG LYS 27 1HG LYS 27 -2.156 16.670 0.139 231 1HD LYS 27 2HD LYS 27 -0.303 15.327 -0.541 232 2HD LYS 27 1HD LYS 27 -0.259 16.073 -2.139 233 1HE LYS 27 2HE LYS 27 0.507 18.161 -1.239 234 2HE LYS 27 1HE LYS 27 0.197 17.632 0.415 235 1HZ LYS 27 1HZ LYS 27 1.891 15.929 0.147 236 2HZ LYS 27 2HZ LYS 27 2.539 17.476 -0.127 237 3HZ LYS 27 3HZ LYS 27 2.194 16.452 -1.439 238 H LYS 28 H LYS 28 -6.313 17.560 -2.474 239 HA LYS 28 HA LYS 28 -7.605 15.836 -4.158 240 1HB LYS 28 2HB LYS 28 -8.241 18.226 -3.736 241 2HB LYS 28 1HB LYS 28 -7.027 18.709 -4.920 242 1HG LYS 28 2HG LYS 28 -8.187 17.694 -6.706 243 2HG LYS 28 1HG LYS 28 -9.159 16.695 -5.626 244 1HD LYS 28 2HD LYS 28 -10.308 18.714 -4.789 245 2HD LYS 28 1HD LYS 28 -9.346 19.712 -5.881 246 1HE LYS 28 2HE LYS 28 -10.366 18.781 -7.809 247 2HE LYS 28 1HE LYS 28 -11.025 17.420 -6.904 248 1HZ LYS 28 1HZ LYS 28 -12.868 18.628 -6.753 249 2HZ LYS 28 2HZ LYS 28 -12.095 20.047 -7.278 250 3HZ LYS 28 3HZ LYS 28 -12.041 19.603 -5.640 251 H SER 29 H SER 29 -7.622 15.770 -6.604 252 HA SER 29 HA SER 29 -6.515 15.010 -8.528 253 1HB SER 29 2HB SER 29 -4.504 16.552 -9.124 254 2HB SER 29 1HB SER 29 -6.110 17.268 -9.049 255 HG SER 29 HG SER 29 -4.115 18.162 -7.802 256 H ASN 30 H ASN 30 -5.942 13.198 -6.759 257 HA ASN 30 HA ASN 30 -3.039 12.712 -7.111 258 1HB ASN 30 2HB ASN 30 -3.356 13.749 -4.856 259 2HB ASN 30 1HB ASN 30 -4.414 12.402 -4.431 260 1HD2 ASN 30 1HD2 ASN 30 -1.130 12.844 -5.889 261 2HD2 ASN 30 2HD2 ASN 30 -0.418 11.577 -5.013 262 H LEU 31 H LEU 31 -5.350 11.515 -8.402 263 HA LEU 31 HA LEU 31 -4.684 8.729 -7.855 264 1HB LEU 31 2HB LEU 31 -6.571 9.566 -6.190 265 2HB LEU 31 1HB LEU 31 -7.611 9.319 -7.591 266 HG LEU 31 HG LEU 31 -6.251 7.006 -7.705 267 1HD1 LEU 31 1HD1 LEU 31 -6.358 7.601 -4.737 268 2HD1 LEU 31 2HD1 LEU 31 -4.882 7.681 -5.698 269 3HD1 LEU 31 3HD1 LEU 31 -5.729 6.146 -5.511 270 1HD2 LEU 31 1HD2 LEU 31 -8.541 7.541 -5.791 271 2HD2 LEU 31 2HD2 LEU 31 -8.114 5.971 -6.466 272 3HD2 LEU 31 3HD2 LEU 31 -8.706 7.253 -7.522 273 H GLN 32 H GLN 32 -4.390 8.074 -9.929 274 HA GLN 32 HA GLN 32 -6.621 8.490 -11.852 275 1HB GLN 32 2HB GLN 32 -3.765 9.358 -12.172 276 2HB GLN 32 1HB GLN 32 -4.622 8.761 -13.591 277 1HG GLN 32 2HG GLN 32 -4.915 11.160 -13.500 278 2HG GLN 32 1HG GLN 32 -6.458 10.412 -13.085 279 1HE2 GLN 32 1HE2 GLN 32 -7.173 12.201 -11.747 280 2HE2 GLN 32 2HE2 GLN 32 -6.436 12.558 -10.259 281 H LEU 33 H LEU 33 -6.577 6.197 -10.701 282 HA LEU 33 HA LEU 33 -4.815 4.336 -12.216 283 1HB LEU 33 2HB LEU 33 -5.921 2.654 -10.545 284 2HB LEU 33 1HB LEU 33 -4.694 3.769 -9.946 285 HG LEU 33 HG LEU 33 -6.474 5.316 -9.196 286 1HD1 LEU 33 1HD1 LEU 33 -8.826 4.171 -9.102 287 2HD1 LEU 33 2HD1 LEU 33 -8.215 3.198 -10.439 288 3HD1 LEU 33 3HD1 LEU 33 -8.317 4.952 -10.598 289 1HD2 LEU 33 1HD2 LEU 33 -7.374 3.832 -7.375 290 2HD2 LEU 33 2HD2 LEU 33 -5.628 3.712 -7.587 291 3HD2 LEU 33 3HD2 LEU 33 -6.681 2.451 -8.227 292 H ARG 34 H ARG 34 -6.018 2.176 -12.711 293 HA ARG 34 HA ARG 34 -8.761 2.734 -13.759 294 1HB ARG 34 2HB ARG 34 -6.436 1.475 -15.248 295 2HB ARG 34 1HB ARG 34 -8.109 1.376 -15.793 296 1HG ARG 34 2HG ARG 34 -7.228 3.243 -16.955 297 2HG ARG 34 1HG ARG 34 -8.143 3.946 -15.624 298 1HD ARG 34 2HD ARG 34 -6.284 4.949 -14.825 299 2HD ARG 34 1HD ARG 34 -5.431 3.407 -14.758 300 HE ARG 34 HE ARG 34 -4.384 3.962 -16.800 301 1HH1 ARG 34 1HH2 ARG 34 -7.146 5.926 -16.165 302 2HH1 ARG 34 2HH2 ARG 34 -6.850 7.003 -17.488 303 1HH2 ARG 34 1HH1 ARG 34 -3.982 5.357 -18.532 304 2HH2 ARG 34 2HH1 ARG 34 -5.059 6.681 -18.830 305 H ASP 35 H ASP 35 -10.138 0.906 -13.728 306 HA ASP 35 HA ASP 35 -9.896 -0.975 -11.710 307 1HB ASP 35 2HB ASP 35 -11.457 -2.415 -13.059 308 2HB ASP 35 1HB ASP 35 -11.979 -0.736 -12.930 309 H GLN 36 H GLN 36 -8.684 -1.262 -15.038 310 HA GLN 36 HA GLN 36 -7.793 -3.941 -14.950 311 1HB GLN 36 2HB GLN 36 -7.773 -2.581 -17.005 312 2HB GLN 36 1HB GLN 36 -6.490 -1.575 -16.333 313 1HG GLN 36 2HG GLN 36 -4.944 -3.413 -16.312 314 2HG GLN 36 1HG GLN 36 -6.222 -4.570 -16.683 315 1HE2 GLN 36 1HE2 GLN 36 -7.480 -3.879 -18.854 316 2HE2 GLN 36 2HE2 GLN 36 -6.470 -3.438 -20.145 317 H ALA 37 H ALA 37 -6.216 -0.974 -13.801 318 HA ALA 37 HA ALA 37 -3.678 -2.036 -13.167 319 1HB ALA 37 1HB ALA 37 -4.222 0.369 -13.035 320 2HB ALA 37 2HB ALA 37 -3.512 -0.204 -11.526 321 3HB ALA 37 3HB ALA 37 -5.253 0.058 -11.638 322 H ILE 38 H ILE 38 -5.961 -1.274 -10.545 323 HA ILE 38 HA ILE 38 -4.921 -2.959 -8.612 324 HB ILE 38 HB ILE 38 -7.725 -2.032 -9.178 325 1HG1 ILE 38 2HG1 ILE 38 -5.994 -1.669 -6.723 326 2HG1 ILE 38 1HG1 ILE 38 -5.855 -0.619 -8.134 327 1HG2 ILE 38 1HG2 ILE 38 -6.868 -4.073 -7.123 328 2HG2 ILE 38 2HG2 ILE 38 -8.242 -4.140 -8.227 329 3HG2 ILE 38 3HG2 ILE 38 -8.266 -3.031 -6.857 330 1HD1 ILE 38 1HD1 ILE 38 -7.383 0.397 -6.531 331 2HD1 ILE 38 2HD1 ILE 38 -8.344 -1.081 -6.473 332 3HD1 ILE 38 3HD1 ILE 38 -8.289 -0.121 -7.953 333 H LEU 39 H LEU 39 -7.247 -3.874 -11.160 334 HA LEU 39 HA LEU 39 -7.749 -6.516 -10.347 335 1HB LEU 39 2HB LEU 39 -7.701 -5.094 -12.964 336 2HB LEU 39 1HB LEU 39 -7.668 -6.854 -13.030 337 HG LEU 39 HG LEU 39 -9.672 -5.462 -11.262 338 1HD1 LEU 39 1HD1 LEU 39 -10.000 -4.392 -13.414 339 2HD1 LEU 39 2HD1 LEU 39 -11.273 -5.593 -13.198 340 3HD1 LEU 39 3HD1 LEU 39 -9.900 -5.942 -14.248 341 1HD2 LEU 39 1HD2 LEU 39 -10.973 -7.522 -11.807 342 2HD2 LEU 39 2HD2 LEU 39 -9.420 -7.895 -11.062 343 3HD2 LEU 39 3HD2 LEU 39 -9.629 -8.081 -12.802 344 H ASP 40 H ASP 40 -5.297 -5.576 -12.765 345 HA ASP 40 HA ASP 40 -3.917 -7.981 -12.959 346 1HB ASP 40 2HB ASP 40 -2.938 -5.127 -13.035 347 2HB ASP 40 1HB ASP 40 -1.832 -6.479 -13.280 348 H ILE 41 H ILE 41 -3.316 -5.413 -10.528 349 HA ILE 41 HA ILE 41 -1.191 -6.565 -9.141 350 HB ILE 41 HB ILE 41 -3.606 -5.238 -7.868 351 1HG1 ILE 41 2HG1 ILE 41 -1.023 -4.059 -8.944 352 2HG1 ILE 41 1HG1 ILE 41 -2.612 -3.885 -9.686 353 1HG2 ILE 41 1HG2 ILE 41 -1.983 -4.620 -6.103 354 2HG2 ILE 41 2HG2 ILE 41 -0.730 -5.532 -6.942 355 3HG2 ILE 41 3HG2 ILE 41 -2.121 -6.371 -6.257 356 1HD1 ILE 41 1HD1 ILE 41 -3.140 -3.050 -7.133 357 2HD1 ILE 41 2HD1 ILE 41 -2.711 -1.968 -8.458 358 3HD1 ILE 41 3HD1 ILE 41 -1.471 -2.513 -7.329 359 H ILE 42 H ILE 42 -4.514 -6.931 -7.880 360 HA ILE 42 HA ILE 42 -4.034 -9.127 -6.227 361 HB ILE 42 HB ILE 42 -6.554 -8.785 -7.872 362 1HG1 ILE 42 2HG1 ILE 42 -6.037 -6.618 -6.922 363 2HG1 ILE 42 1HG1 ILE 42 -7.308 -7.347 -5.941 364 1HG2 ILE 42 1HG2 ILE 42 -6.434 -10.841 -6.547 365 2HG2 ILE 42 2HG2 ILE 42 -7.607 -9.733 -5.833 366 3HG2 ILE 42 3HG2 ILE 42 -6.009 -9.911 -5.110 367 1HD1 ILE 42 1HD1 ILE 42 -5.337 -8.255 -4.489 368 2HD1 ILE 42 2HD1 ILE 42 -5.796 -6.562 -4.324 369 3HD1 ILE 42 3HD1 ILE 42 -4.388 -7.004 -5.290 370 H ARG 43 H ARG 43 -5.180 -9.269 -9.618 371 HA ARG 43 HA ARG 43 -5.300 -12.012 -9.984 372 1HB ARG 43 2HB ARG 43 -5.119 -9.732 -11.673 373 2HB ARG 43 1HB ARG 43 -3.923 -10.882 -12.263 374 1HG ARG 43 2HG ARG 43 -6.806 -11.621 -11.679 375 2HG ARG 43 1HG ARG 43 -6.223 -11.152 -13.276 376 1HD ARG 43 2HD ARG 43 -4.464 -13.004 -13.006 377 2HD ARG 43 1HD ARG 43 -5.431 -13.570 -11.644 378 HE ARG 43 HE ARG 43 -6.097 -13.908 -14.439 379 1HH1 ARG 43 1HH2 ARG 43 -7.342 -13.342 -11.274 380 2HH1 ARG 43 2HH2 ARG 43 -8.878 -14.071 -11.603 381 1HH2 ARG 43 1HH1 ARG 43 -8.096 -14.864 -14.887 382 2HH2 ARG 43 2HH1 ARG 43 -9.305 -14.933 -13.647 383 H TYR 44 H TYR 44 -2.361 -10.010 -9.930 384 HA TYR 44 HA TYR 44 -0.614 -12.249 -10.567 385 1HB TYR 44 2HB TYR 44 -0.229 -9.405 -9.669 386 2HB TYR 44 1HB TYR 44 1.128 -10.528 -9.586 387 HD1 TYR 44 1HD TYR 44 2.570 -10.059 -11.366 388 HD2 TYR 44 2HD TYR 44 -1.666 -10.176 -12.072 389 HE1 TYR 44 1HE TYR 44 2.965 -9.768 -13.795 390 HE2 TYR 44 2HE TYR 44 -1.270 -9.886 -14.500 391 HH TYR 44 HH TYR 44 1.803 -10.239 -15.916 392 H TYR 45 H TYR 45 -1.658 -10.580 -7.623 393 HA TYR 45 HA TYR 45 -0.018 -12.374 -5.948 394 1HB TYR 45 2HB TYR 45 -1.891 -10.084 -5.306 395 2HB TYR 45 1HB TYR 45 -1.057 -11.034 -4.074 396 HD1 TYR 45 1HD TYR 45 -0.791 -8.291 -6.364 397 HD2 TYR 45 2HD TYR 45 1.502 -11.254 -4.269 398 HE1 TYR 45 1HE TYR 45 1.260 -6.947 -6.714 399 HE2 TYR 45 2HE TYR 45 3.553 -9.911 -4.614 400 HH TYR 45 HH TYR 45 3.800 -7.467 -6.821 401 H THR 46 H THR 46 -3.453 -11.410 -5.622 402 HA THR 46 HA THR 46 -5.271 -12.696 -4.871 403 HB THR 46 HB THR 46 -4.142 -15.046 -6.357 404 HG1 THR 46 1HG THR 46 -5.328 -12.947 -7.774 405 1HG2 THR 46 1HG2 THR 46 -6.848 -13.712 -6.522 406 2HG2 THR 46 2HG2 THR 46 -6.455 -14.917 -5.295 407 3HG2 THR 46 3HG2 THR 46 -6.420 -15.354 -7.003 408 H ARG 47 H ARG 47 -2.379 -13.019 -3.656 409 HA ARG 47 HA ARG 47 -2.723 -15.632 -2.296 410 1HB ARG 47 2HB ARG 47 -0.470 -15.056 -1.317 411 2HB ARG 47 1HB ARG 47 -0.483 -15.165 -3.076 412 1HG ARG 47 2HG ARG 47 0.023 -12.966 -3.330 413 2HG ARG 47 1HG ARG 47 -1.128 -12.468 -2.090 414 1HD ARG 47 2HD ARG 47 1.637 -13.609 -1.585 415 2HD ARG 47 1HD ARG 47 1.164 -11.920 -1.394 416 HE ARG 47 HE ARG 47 -0.536 -13.632 0.186 417 1HH1 ARG 47 1HH2 ARG 47 2.608 -12.238 -0.046 418 2HH1 ARG 47 2HH2 ARG 47 2.873 -12.220 1.665 419 1HH2 ARG 47 1HH1 ARG 47 -0.209 -13.620 2.421 420 2HH2 ARG 47 2HH1 ARG 47 1.277 -13.004 3.062 421 H GLU 48 H GLU 48 -4.709 -14.704 -1.178 422 HA GLU 48 HA GLU 48 -3.946 -13.776 1.478 423 1HB GLU 48 2HB GLU 48 -5.322 -11.706 1.409 424 2HB GLU 48 1HB GLU 48 -3.951 -11.624 0.304 425 1HG GLU 48 2HG GLU 48 -5.738 -10.855 -1.020 426 2HG GLU 48 1HG GLU 48 -5.615 -12.555 -1.473 427 H ALA 49 H ALA 49 -6.006 -13.453 2.836 428 HA ALA 49 HA ALA 49 -8.324 -14.988 1.771 429 1HB ALA 49 1HB ALA 49 -6.737 -15.637 4.265 430 2HB ALA 49 2HB ALA 49 -7.114 -16.706 2.914 431 3HB ALA 49 3HB ALA 49 -8.391 -16.202 4.022 432 H GLY 50 H GLY 50 -7.763 -12.137 2.457 433 1HA GLY 50 2HA GLY 50 -10.165 -11.705 4.092 434 2HA GLY 50 1HA GLY 50 -8.665 -11.108 4.806 435 H VAL 51 H VAL 51 -11.188 -9.862 3.389 436 HA VAL 51 HA VAL 51 -10.045 -8.410 1.146 437 HB VAL 51 HB VAL 51 -12.127 -7.122 1.191 438 1HG1 VAL 51 1HG1 VAL 51 -13.739 -9.068 1.097 439 2HG1 VAL 51 2HG1 VAL 51 -12.435 -10.094 1.698 440 3HG1 VAL 51 3HG1 VAL 51 -12.275 -9.288 0.137 441 1HG2 VAL 51 1HG2 VAL 51 -12.412 -8.446 3.894 442 2HG2 VAL 51 2HG2 VAL 51 -13.813 -7.825 3.021 443 3HG2 VAL 51 3HG2 VAL 51 -12.516 -6.730 3.500 444 H ARG 52 H ARG 52 -10.762 -7.615 4.547 445 HA ARG 52 HA ARG 52 -10.153 -4.913 4.619 446 1HB ARG 52 2HB ARG 52 -9.201 -5.341 6.921 447 2HB ARG 52 1HB ARG 52 -10.797 -6.036 6.649 448 1HG ARG 52 2HG ARG 52 -9.926 -8.015 7.329 449 2HG ARG 52 1HG ARG 52 -9.042 -8.051 5.806 450 1HD ARG 52 2HD ARG 52 -7.187 -6.783 6.894 451 2HD ARG 52 1HD ARG 52 -8.064 -6.867 8.422 452 HE ARG 52 HE ARG 52 -7.787 -9.511 7.388 453 1HH1 ARG 52 1HH2 ARG 52 -5.970 -6.883 8.686 454 2HH1 ARG 52 2HH2 ARG 52 -4.740 -7.895 9.364 455 1HH2 ARG 52 1HH1 ARG 52 -6.188 -10.848 8.268 456 2HH2 ARG 52 2HH1 ARG 52 -4.863 -10.138 9.128 457 H SER 53 H SER 53 -7.778 -7.586 4.738 458 HA SER 53 HA SER 53 -5.498 -5.820 4.729 459 1HB SER 53 2HB SER 53 -5.523 -8.657 3.708 460 2HB SER 53 1HB SER 53 -4.178 -7.775 4.427 461 HG SER 53 HG SER 53 -5.371 -7.744 6.385 462 H LEU 54 H LEU 54 -7.216 -7.617 2.183 463 HA LEU 54 HA LEU 54 -5.554 -7.015 0.001 464 1HB LEU 54 2HB LEU 54 -7.607 -8.451 -0.097 465 2HB LEU 54 1HB LEU 54 -8.591 -6.993 -0.016 466 HG LEU 54 HG LEU 54 -6.485 -6.958 -2.108 467 1HD1 LEU 54 1HD1 LEU 54 -7.794 -8.389 -3.643 468 2HD1 LEU 54 2HD1 LEU 54 -8.888 -8.798 -2.321 469 3HD1 LEU 54 3HD1 LEU 54 -7.201 -9.308 -2.259 470 1HD2 LEU 54 1HD2 LEU 54 -8.167 -5.172 -1.881 471 2HD2 LEU 54 2HD2 LEU 54 -9.462 -6.353 -2.079 472 3HD2 LEU 54 3HD2 LEU 54 -8.369 -6.011 -3.419 473 H GLU 55 H GLU 55 -8.419 -5.136 1.030 474 HA GLU 55 HA GLU 55 -7.984 -2.893 -0.618 475 1HB GLU 55 2HB GLU 55 -9.068 -2.811 2.213 476 2HB GLU 55 1HB GLU 55 -9.397 -1.662 0.916 477 1HG GLU 55 2HG GLU 55 -10.518 -3.408 -0.387 478 2HG GLU 55 1HG GLU 55 -10.142 -4.601 0.855 479 H ARG 56 H ARG 56 -6.610 -3.681 2.576 480 HA ARG 56 HA ARG 56 -5.302 -1.182 3.009 481 1HB ARG 56 2HB ARG 56 -5.572 -3.241 4.596 482 2HB ARG 56 1HB ARG 56 -4.078 -3.807 3.849 483 1HG ARG 56 2HG ARG 56 -2.951 -1.713 4.479 484 2HG ARG 56 1HG ARG 56 -4.446 -1.116 5.200 485 1HD ARG 56 2HD ARG 56 -3.354 -1.980 7.071 486 2HD ARG 56 1HD ARG 56 -4.333 -3.362 6.580 487 HE ARG 56 HE ARG 56 -2.346 -4.485 5.933 488 1HH1 ARG 56 1HH2 ARG 56 -1.853 -1.127 6.540 489 2HH1 ARG 56 2HH2 ARG 56 -0.126 -1.230 6.463 490 1HH2 ARG 56 1HH1 ARG 56 -0.092 -4.639 5.831 491 2HH2 ARG 56 2HH1 ARG 56 0.871 -3.217 6.062 492 H GLN 57 H GLN 57 -4.288 -4.089 1.242 493 HA GLN 57 HA GLN 57 -1.619 -3.233 0.679 494 1HB GLN 57 2HB GLN 57 -2.434 -5.557 0.325 495 2HB GLN 57 1HB GLN 57 -3.431 -4.985 -1.013 496 1HG GLN 57 2HG GLN 57 -1.515 -4.359 -2.299 497 2HG GLN 57 1HG GLN 57 -0.438 -4.553 -0.915 498 1HE2 GLN 57 1HE2 GLN 57 0.783 -6.424 -1.166 499 2HE2 GLN 57 2HE2 GLN 57 0.205 -7.891 -1.794 500 H LEU 58 H LEU 58 -4.655 -2.865 -1.169 501 HA LEU 58 HA LEU 58 -3.475 -1.419 -3.348 502 1HB LEU 58 2HB LEU 58 -6.305 -1.050 -2.343 503 2HB LEU 58 1HB LEU 58 -5.709 -0.876 -3.995 504 HG LEU 58 HG LEU 58 -5.803 -3.452 -2.407 505 1HD1 LEU 58 1HD1 LEU 58 -8.017 -2.950 -3.110 506 2HD1 LEU 58 2HD1 LEU 58 -7.396 -4.057 -4.334 507 3HD1 LEU 58 3HD1 LEU 58 -7.466 -2.326 -4.664 508 1HD2 LEU 58 1HD2 LEU 58 -5.238 -4.356 -4.787 509 2HD2 LEU 58 2HD2 LEU 58 -3.932 -3.664 -3.826 510 3HD2 LEU 58 3HD2 LEU 58 -4.681 -2.714 -5.108 511 H ALA 59 H ALA 59 -5.167 -0.280 -0.406 512 HA ALA 59 HA ALA 59 -4.871 2.495 -0.871 513 1HB ALA 59 1HB ALA 59 -4.732 1.018 1.779 514 2HB ALA 59 2HB ALA 59 -6.212 1.569 0.992 515 3HB ALA 59 3HB ALA 59 -5.036 2.744 1.582 516 H ALA 60 H ALA 60 -2.645 0.110 0.472 517 HA ALA 60 HA ALA 60 -0.597 1.896 1.326 518 1HB ALA 60 1HB ALA 60 -0.101 -0.851 0.166 519 2HB ALA 60 2HB ALA 60 -0.794 -0.617 1.771 520 3HB ALA 60 3HB ALA 60 0.824 -0.014 1.412 521 H ILE 61 H ILE 61 -0.748 0.035 -1.757 522 HA ILE 61 HA ILE 61 1.517 1.306 -2.908 523 HB ILE 61 HB ILE 61 0.022 -0.759 -3.697 524 1HG1 ILE 61 2HG1 ILE 61 1.459 1.107 -5.605 525 2HG1 ILE 61 1HG1 ILE 61 2.226 -0.135 -4.612 526 1HG2 ILE 61 1HG2 ILE 61 -1.405 -0.262 -5.562 527 2HG2 ILE 61 2HG2 ILE 61 -0.930 1.434 -5.556 528 3HG2 ILE 61 3HG2 ILE 61 -1.913 0.788 -4.245 529 1HD1 ILE 61 1HD1 ILE 61 1.942 -1.148 -6.746 530 2HD1 ILE 61 2HD1 ILE 61 0.306 -0.511 -6.916 531 3HD1 ILE 61 3HD1 ILE 61 0.635 -1.799 -5.756 532 H CYS 62 H CYS 62 -1.929 2.178 -3.074 533 HA CYS 62 HA CYS 62 -1.767 4.307 -4.899 534 1HB CYS 62 2HB CYS 62 -3.516 3.905 -2.467 535 2HB CYS 62 1HB CYS 62 -3.726 5.265 -3.570 536 HG CYS 62 HG CYS 62 -4.385 3.646 -5.451 537 H ARG 63 H ARG 63 -1.880 4.808 -1.343 538 HA ARG 63 HA ARG 63 -0.921 7.486 -1.521 539 1HB ARG 63 2HB ARG 63 -0.479 7.291 0.901 540 2HB ARG 63 1HB ARG 63 -2.074 6.685 0.462 541 1HG ARG 63 2HG ARG 63 -1.459 4.844 1.668 542 2HG ARG 63 1HG ARG 63 -0.575 4.407 0.210 543 1HD ARG 63 2HD ARG 63 1.077 4.242 1.864 544 2HD ARG 63 1HD ARG 63 1.342 5.867 1.236 545 HE ARG 63 HE ARG 63 -0.438 6.272 3.307 546 1HH1 ARG 63 1HH2 ARG 63 2.570 4.636 2.909 547 2HH1 ARG 63 2HH2 ARG 63 3.083 4.902 4.542 548 1HH2 ARG 63 1HH1 ARG 63 0.215 6.630 5.441 549 2HH2 ARG 63 2HH1 ARG 63 1.750 6.031 5.975 550 H LYS 64 H LYS 64 0.841 4.436 -0.890 551 HA LYS 64 HA LYS 64 3.387 5.382 -0.332 552 1HB LYS 64 2HB LYS 64 2.858 2.967 -0.596 553 2HB LYS 64 1HB LYS 64 2.720 3.198 -2.337 554 1HG LYS 64 2HG LYS 64 4.923 2.348 -1.964 555 2HG LYS 64 1HG LYS 64 5.121 4.068 -2.285 556 1HD LYS 64 2HD LYS 64 5.488 4.569 0.003 557 2HD LYS 64 1HD LYS 64 4.840 3.017 0.533 558 1HE LYS 64 2HE LYS 64 7.354 3.317 -1.133 559 2HE LYS 64 1HE LYS 64 7.351 3.148 0.623 560 1HZ LYS 64 1HZ LYS 64 7.414 1.100 -1.125 561 2HZ LYS 64 2HZ LYS 64 5.760 1.178 -0.748 562 3HZ LYS 64 3HZ LYS 64 6.907 0.980 0.489 563 H ALA 65 H ALA 65 1.708 5.314 -3.429 564 HA ALA 65 HA ALA 65 3.923 6.477 -4.915 565 1HB ALA 65 1HB ALA 65 2.130 5.109 -5.994 566 2HB ALA 65 2HB ALA 65 2.305 6.701 -6.731 567 3HB ALA 65 3HB ALA 65 0.973 6.386 -5.620 568 H ALA 66 H ALA 66 0.965 7.690 -3.326 569 HA ALA 66 HA ALA 66 0.975 10.344 -4.243 570 1HB ALA 66 1HB ALA 66 0.438 9.380 -1.416 571 2HB ALA 66 2HB ALA 66 -0.748 9.462 -2.718 572 3HB ALA 66 3HB ALA 66 -0.047 10.944 -2.069 573 H LYS 67 H LYS 67 2.993 8.866 -1.724 574 HA LYS 67 HA LYS 67 4.270 11.314 -0.916 575 1HB LYS 67 2HB LYS 67 5.525 8.570 -0.778 576 2HB LYS 67 1HB LYS 67 5.775 9.938 0.308 577 1HG LYS 67 2HG LYS 67 3.307 9.765 0.907 578 2HG LYS 67 1HG LYS 67 3.287 8.236 0.029 579 1HD LYS 67 2HD LYS 67 3.763 7.463 2.164 580 2HD LYS 67 1HD LYS 67 5.400 7.712 1.558 581 1HE LYS 67 2HE LYS 67 5.404 9.983 2.581 582 2HE LYS 67 1HE LYS 67 3.803 9.663 3.245 583 1HZ LYS 67 1HZ LYS 67 4.982 7.553 4.169 584 2HZ LYS 67 2HZ LYS 67 5.134 9.040 4.975 585 3HZ LYS 67 3HZ LYS 67 6.388 8.481 3.973 586 H ALA 68 H ALA 68 5.068 8.836 -3.322 587 HA ALA 68 HA ALA 68 7.647 9.709 -4.044 588 1HB ALA 68 1HB ALA 68 5.467 8.631 -5.859 589 2HB ALA 68 2HB ALA 68 6.629 7.661 -4.955 590 3HB ALA 68 3HB ALA 68 7.183 8.708 -6.261 591 H ILE 69 H ILE 69 4.790 11.480 -4.179 592 HA ILE 69 HA ILE 69 4.895 12.947 -6.557 593 HB ILE 69 HB ILE 69 4.205 13.776 -3.736 594 1HG1 ILE 69 2HG1 ILE 69 2.819 12.179 -5.333 595 2HG1 ILE 69 1HG1 ILE 69 1.995 13.406 -4.374 596 1HG2 ILE 69 1HG2 ILE 69 4.240 15.433 -6.260 597 2HG2 ILE 69 2HG2 ILE 69 4.868 15.847 -4.665 598 3HG2 ILE 69 3HG2 ILE 69 3.127 15.798 -4.941 599 1HD1 ILE 69 1HD1 ILE 69 2.965 14.029 -7.161 600 2HD1 ILE 69 2HD1 ILE 69 1.708 14.836 -6.223 601 3HD1 ILE 69 3HD1 ILE 69 1.412 13.235 -6.899 602 H VAL 70 H VAL 70 7.288 12.744 -4.135 603 HA VAL 70 HA VAL 70 8.474 15.334 -4.305 604 HB VAL 70 HB VAL 70 9.117 13.683 -2.591 605 1HG1 VAL 70 1HG1 VAL 70 8.964 11.703 -4.131 606 2HG1 VAL 70 2HG1 VAL 70 10.442 11.733 -3.169 607 3HG1 VAL 70 3HG1 VAL 70 10.484 12.214 -4.865 608 1HG2 VAL 70 1HG2 VAL 70 11.493 14.106 -2.635 609 2HG2 VAL 70 2HG2 VAL 70 10.702 15.504 -3.362 610 3HG2 VAL 70 3HG2 VAL 70 11.480 14.300 -4.388 611 H ALA 71 H ALA 71 8.482 12.624 -6.500 612 HA ALA 71 HA ALA 71 10.828 13.249 -7.999 613 1HB ALA 71 1HB ALA 71 8.268 12.119 -9.155 614 2HB ALA 71 2HB ALA 71 9.387 11.155 -8.190 615 3HB ALA 71 3HB ALA 71 9.917 11.852 -9.720 616 H GLU 72 H GLU 72 9.781 13.606 -10.645 617 HA GLU 72 HA GLU 72 9.774 16.406 -10.895 618 1HB GLU 72 2HB GLU 72 8.370 14.443 -12.734 619 2HB GLU 72 1HB GLU 72 8.925 16.062 -13.159 620 1HG GLU 72 2HG GLU 72 10.753 13.849 -12.186 621 2HG GLU 72 1HG GLU 72 10.497 14.243 -13.887 622 H GLU 73 H GLU 73 8.283 17.901 -10.316 623 HA GLU 73 HA GLU 73 5.822 17.316 -9.076 624 1HB GLU 73 2HB GLU 73 6.741 19.785 -10.569 625 2HB GLU 73 1HB GLU 73 5.226 19.715 -9.670 626 1HG GLU 73 2HG GLU 73 6.434 19.174 -7.612 627 2HG GLU 73 1HG GLU 73 7.963 19.148 -8.492 628 H ARG 74 H ARG 74 4.067 16.339 -9.953 629 HA ARG 74 HA ARG 74 3.089 17.225 -12.596 630 1HB ARG 74 2HB ARG 74 4.579 15.366 -13.180 631 2HB ARG 74 1HB ARG 74 3.776 14.330 -11.998 632 1HG ARG 74 2HG ARG 74 1.722 14.363 -13.229 633 2HG ARG 74 1HG ARG 74 2.298 15.657 -14.281 634 1HD ARG 74 2HD ARG 74 3.891 14.212 -15.337 635 2HD ARG 74 1HD ARG 74 3.645 12.952 -14.129 636 HE ARG 74 HE ARG 74 1.202 13.624 -15.570 637 1HH1 ARG 74 1HH2 ARG 74 4.140 11.819 -15.544 638 2HH1 ARG 74 2HH2 ARG 74 3.544 10.581 -16.599 639 1HH2 ARG 74 1HH1 ARG 74 0.407 12.019 -16.946 640 2HH2 ARG 74 2HH1 ARG 74 1.429 10.694 -17.392 641 H LYS 75 H LYS 75 2.638 15.778 -9.499 642 HA LYS 75 HA LYS 75 0.700 15.188 -8.313 643 1HB LYS 75 2HB LYS 75 -0.414 17.239 -10.249 644 2HB LYS 75 1HB LYS 75 -1.313 16.591 -8.877 645 1HG LYS 75 2HG LYS 75 0.106 17.595 -7.302 646 2HG LYS 75 1HG LYS 75 1.421 17.783 -8.462 647 1HD LYS 75 2HD LYS 75 0.235 19.935 -7.914 648 2HD LYS 75 1HD LYS 75 0.224 19.531 -9.631 649 1HE LYS 75 2HE LYS 75 -2.038 18.791 -9.549 650 2HE LYS 75 1HE LYS 75 -2.038 18.747 -7.786 651 1HZ LYS 75 1HZ LYS 75 -2.615 20.913 -9.515 652 2HZ LYS 75 2HZ LYS 75 -1.324 21.317 -8.488 653 3HZ LYS 75 3HZ LYS 75 -2.807 20.808 -7.833 654 H ARG 76 H ARG 76 -1.695 14.400 -8.708 655 HA ARG 76 HA ARG 76 -3.032 12.719 -9.649 656 1HB ARG 76 2HB ARG 76 -1.851 13.582 -12.297 657 2HB ARG 76 1HB ARG 76 -3.442 12.883 -11.997 658 1HG ARG 76 2HG ARG 76 -4.090 14.886 -10.715 659 2HG ARG 76 1HG ARG 76 -2.497 15.588 -11.000 660 1HD ARG 76 2HD ARG 76 -3.006 15.268 -13.510 661 2HD ARG 76 1HD ARG 76 -4.679 15.028 -13.009 662 HE ARG 76 HE ARG 76 -3.222 17.568 -12.974 663 1HH1 ARG 76 1HH2 ARG 76 -5.814 15.657 -11.742 664 2HH1 ARG 76 2HH2 ARG 76 -6.764 17.021 -11.253 665 1HH2 ARG 76 1HH1 ARG 76 -4.447 19.360 -12.340 666 2HH2 ARG 76 2HH1 ARG 76 -5.990 19.116 -11.592 667 H ILE 77 H ILE 77 -2.088 10.809 -8.934 668 HA ILE 77 HA ILE 77 0.338 9.775 -10.251 669 HB ILE 77 HB ILE 77 -1.420 8.409 -8.194 670 1HG1 ILE 77 2HG1 ILE 77 -0.732 10.526 -7.247 671 2HG1 ILE 77 1HG1 ILE 77 0.292 9.271 -6.550 672 1HG2 ILE 77 1HG2 ILE 77 1.541 8.027 -8.541 673 2HG2 ILE 77 2HG2 ILE 77 0.425 7.191 -9.619 674 3HG2 ILE 77 3HG2 ILE 77 0.342 6.916 -7.881 675 1HD1 ILE 77 1HD1 ILE 77 1.840 10.936 -7.145 676 2HD1 ILE 77 2HD1 ILE 77 0.988 11.328 -8.638 677 3HD1 ILE 77 3HD1 ILE 77 1.913 9.832 -8.518 678 H THR 78 H THR 78 0.016 8.888 -12.245 679 HA THR 78 HA THR 78 -2.528 7.537 -12.869 680 HB THR 78 HB THR 78 -0.097 7.656 -14.656 681 HG1 THR 78 1HG THR 78 -1.689 9.593 -15.303 682 1HG2 THR 78 1HG2 THR 78 -2.116 6.256 -15.243 683 2HG2 THR 78 2HG2 THR 78 -1.725 7.505 -16.425 684 3HG2 THR 78 3HG2 THR 78 -3.055 7.748 -15.292 685 H VAL 79 H VAL 79 -2.796 5.342 -12.782 686 HA VAL 79 HA VAL 79 -0.328 3.661 -12.490 687 HB VAL 79 HB VAL 79 -2.967 2.956 -11.212 688 1HG1 VAL 79 1HG1 VAL 79 -0.090 2.306 -10.503 689 2HG1 VAL 79 2HG1 VAL 79 -1.155 1.251 -11.431 690 3HG1 VAL 79 3HG1 VAL 79 -1.533 1.626 -9.751 691 1HG2 VAL 79 1HG2 VAL 79 -2.453 5.158 -10.336 692 2HG2 VAL 79 2HG2 VAL 79 -0.762 4.717 -10.100 693 3HG2 VAL 79 3HG2 VAL 79 -2.014 3.969 -9.109 694 H THR 80 H THR 80 -0.148 2.291 -14.171 695 HA THR 80 HA THR 80 -2.622 1.471 -15.636 696 HB THR 80 HB THR 80 -1.146 0.962 -17.507 697 HG1 THR 80 1HG THR 80 0.956 0.809 -17.263 698 1HG2 THR 80 1HG2 THR 80 -0.158 3.233 -17.877 699 2HG2 THR 80 2HG2 THR 80 -0.528 3.623 -16.197 700 3HG2 THR 80 3HG2 THR 80 -1.834 3.285 -17.332 701 H GLU 81 H GLU 81 -0.217 -0.565 -16.541 702 HA GLU 81 HA GLU 81 -0.988 -2.609 -14.488 703 1HB GLU 81 2HB GLU 81 -0.607 -4.298 -16.273 704 2HB GLU 81 1HB GLU 81 -1.890 -3.167 -16.693 705 1HG GLU 81 2HG GLU 81 -0.595 -3.266 -18.659 706 2HG GLU 81 1HG GLU 81 -0.017 -1.802 -17.867 707 H LYS 82 H LYS 82 1.538 -0.770 -15.769 708 HA LYS 82 HA LYS 82 3.585 -2.727 -14.800 709 1HB LYS 82 2HB LYS 82 5.192 -1.298 -16.120 710 2HB LYS 82 1HB LYS 82 3.978 -2.111 -17.109 711 1HG LYS 82 2HG LYS 82 2.661 -0.102 -17.283 712 2HG LYS 82 1HG LYS 82 3.662 0.722 -16.087 713 1HD LYS 82 2HD LYS 82 5.616 0.503 -17.621 714 2HD LYS 82 1HD LYS 82 4.549 -0.209 -18.832 715 1HE LYS 82 2HE LYS 82 4.753 2.143 -19.338 716 2HE LYS 82 1HE LYS 82 3.135 1.877 -18.691 717 1HZ LYS 82 1HZ LYS 82 5.077 2.416 -16.655 718 2HZ LYS 82 2HZ LYS 82 3.566 3.142 -16.931 719 3HZ LYS 82 3HZ LYS 82 4.940 3.688 -17.769 720 H ASN 83 H ASN 83 2.179 0.415 -14.333 721 HA ASN 83 HA ASN 83 4.300 1.601 -12.805 722 1HB ASN 83 2HB ASN 83 1.316 2.061 -12.926 723 2HB ASN 83 1HB ASN 83 2.349 2.978 -11.830 724 1HD2 ASN 83 1HD2 ASN 83 3.016 4.923 -12.729 725 2HD2 ASN 83 2HD2 ASN 83 3.300 5.192 -14.382 726 H LEU 84 H LEU 84 1.519 -0.426 -11.910 727 HA LEU 84 HA LEU 84 1.727 -0.254 -9.105 728 1HB LEU 84 2HB LEU 84 0.757 -2.556 -9.070 729 2HB LEU 84 1HB LEU 84 -0.102 -1.470 -10.161 730 HG LEU 84 HG LEU 84 1.808 -2.508 -11.845 731 1HD1 LEU 84 1HD1 LEU 84 0.870 -4.873 -10.218 732 2HD1 LEU 84 2HD1 LEU 84 2.402 -4.072 -9.870 733 3HD1 LEU 84 3HD1 LEU 84 2.134 -4.816 -11.446 734 1HD2 LEU 84 1HD2 LEU 84 -0.655 -2.308 -12.227 735 2HD2 LEU 84 2HD2 LEU 84 -0.893 -3.759 -11.253 736 3HD2 LEU 84 3HD2 LEU 84 -0.007 -3.854 -12.773 737 H GLN 85 H GLN 85 3.569 -2.227 -11.400 738 HA GLN 85 HA GLN 85 5.021 -3.748 -9.463 739 1HB GLN 85 2HB GLN 85 4.915 -4.194 -11.953 740 2HB GLN 85 1HB GLN 85 6.040 -2.852 -12.174 741 1HG GLN 85 2HG GLN 85 7.352 -4.870 -12.089 742 2HG GLN 85 1HG GLN 85 7.601 -4.024 -10.562 743 1HE2 GLN 85 1HE2 GLN 85 7.622 -5.524 -8.885 744 2HE2 GLN 85 2HE2 GLN 85 6.583 -6.860 -8.757 745 H ASP 86 H ASP 86 5.664 -0.579 -10.953 746 HA ASP 86 HA ASP 86 8.271 -0.242 -9.817 747 1HB ASP 86 2HB ASP 86 8.190 1.937 -10.640 748 2HB ASP 86 1HB ASP 86 7.008 1.137 -11.673 749 H PHE 87 H PHE 87 5.028 0.586 -8.609 750 HA PHE 87 HA PHE 87 6.067 1.903 -6.229 751 1HB PHE 87 2HB PHE 87 3.317 0.848 -6.942 752 2HB PHE 87 1HB PHE 87 3.674 1.716 -5.450 753 HD1 PHE 87 1HD PHE 87 2.481 2.114 -8.713 754 HD2 PHE 87 2HD PHE 87 5.106 3.977 -5.868 755 HE1 PHE 87 1HE PHE 87 2.238 4.272 -9.903 756 HE2 PHE 87 2HE PHE 87 4.865 6.134 -7.062 757 HZ PHE 87 HZ PHE 87 3.431 6.284 -9.080 758 H ILE 88 H ILE 88 4.680 -1.299 -6.937 759 HA ILE 88 HA ILE 88 5.069 -2.188 -4.185 760 HB ILE 88 HB ILE 88 3.568 -3.050 -6.433 761 1HG1 ILE 88 2HG1 ILE 88 3.864 -4.356 -3.718 762 2HG1 ILE 88 1HG1 ILE 88 2.882 -2.926 -4.038 763 1HG2 ILE 88 1HG2 ILE 88 4.047 -5.467 -6.473 764 2HG2 ILE 88 2HG2 ILE 88 5.449 -5.208 -5.440 765 3HG2 ILE 88 3HG2 ILE 88 5.413 -4.534 -7.069 766 1HD1 ILE 88 1HD1 ILE 88 1.693 -4.315 -5.825 767 2HD1 ILE 88 2HD1 ILE 88 1.375 -4.772 -4.152 768 3HD1 ILE 88 3HD1 ILE 88 2.498 -5.720 -5.127 769 H GLY 89 H GLY 89 6.577 -3.033 -7.326 770 1HA GLY 89 2HA GLY 89 8.765 -3.757 -7.774 771 2HA GLY 89 1HA GLY 89 9.205 -3.187 -6.165 772 H LYS 90 H LYS 90 6.794 -5.674 -7.007 773 HA LYS 90 HA LYS 90 8.592 -7.788 -5.972 774 1HB LYS 90 2HB LYS 90 5.843 -7.356 -4.769 775 2HB LYS 90 1HB LYS 90 7.040 -8.554 -4.285 776 1HG LYS 90 2HG LYS 90 8.595 -6.664 -3.700 777 2HG LYS 90 1HG LYS 90 7.266 -5.548 -4.010 778 1HD LYS 90 2HD LYS 90 5.929 -6.541 -2.261 779 2HD LYS 90 1HD LYS 90 7.104 -7.838 -2.036 780 1HE LYS 90 2HE LYS 90 8.784 -6.224 -1.281 781 2HE LYS 90 1HE LYS 90 7.663 -4.893 -1.573 782 1HZ LYS 90 1HZ LYS 90 7.797 -6.722 0.638 783 2HZ LYS 90 2HZ LYS 90 6.233 -6.578 -0.009 784 3HZ LYS 90 3HZ LYS 90 7.060 -5.197 0.536 785 H ARG 91 H ARG 91 7.701 -9.961 -6.411 786 HA ARG 91 HA ARG 91 5.296 -10.222 -8.034 787 1HB ARG 91 2HB ARG 91 7.869 -9.760 -9.324 788 2HB ARG 91 1HB ARG 91 7.205 -11.324 -9.791 789 1HG ARG 91 2HG ARG 91 5.044 -10.190 -10.347 790 2HG ARG 91 1HG ARG 91 5.810 -8.639 -10.002 791 1HD ARG 91 2HD ARG 91 6.577 -10.620 -12.160 792 2HD ARG 91 1HD ARG 91 5.950 -8.987 -12.382 793 HE ARG 91 HE ARG 91 8.404 -8.963 -10.850 794 1HH1 ARG 91 1HH2 ARG 91 7.030 -9.282 -13.996 795 2HH1 ARG 91 2HH2 ARG 91 8.428 -8.670 -14.815 796 1HH2 ARG 91 1HH1 ARG 91 10.238 -8.162 -11.901 797 2HH2 ARG 91 2HH1 ARG 91 10.244 -8.037 -13.629 798 H ILE 92 H ILE 92 4.507 -12.175 -7.410 799 HA ILE 92 HA ILE 92 6.465 -14.285 -6.575 800 HB ILE 92 HB ILE 92 3.582 -13.840 -5.748 801 1HG1 ILE 92 2HG1 ILE 92 6.086 -13.819 -4.048 802 2HG1 ILE 92 1HG1 ILE 92 5.431 -12.355 -4.784 803 1HG2 ILE 92 1HG2 ILE 92 5.563 -16.043 -5.122 804 2HG2 ILE 92 2HG2 ILE 92 3.951 -16.209 -5.819 805 3HG2 ILE 92 3HG2 ILE 92 4.137 -15.731 -4.132 806 1HD1 ILE 92 1HD1 ILE 92 3.854 -14.204 -2.972 807 2HD1 ILE 92 2HD1 ILE 92 3.319 -12.652 -3.617 808 3HD1 ILE 92 3HD1 ILE 92 4.630 -12.712 -2.439 809 H PHE 93 H PHE 93 3.377 -13.754 -8.284 810 HA PHE 93 HA PHE 93 3.448 -16.498 -9.358 811 1HB PHE 93 2HB PHE 93 1.551 -14.173 -9.777 812 2HB PHE 93 1HB PHE 93 1.366 -15.736 -10.572 813 HD1 PHE 93 1HD PHE 93 0.175 -17.446 -9.495 814 HD2 PHE 93 2HD PHE 93 1.816 -14.228 -7.171 815 HE1 PHE 93 1HE PHE 93 -0.940 -18.341 -7.468 816 HE2 PHE 93 2HE PHE 93 0.703 -15.125 -5.143 817 HZ PHE 93 HZ PHE 93 -0.674 -17.180 -5.291 818 H ARG 94 H ARG 94 5.479 -16.283 -10.553 819 HA ARG 94 HA ARG 94 5.690 -14.317 -12.696 820 1HB ARG 94 2HB ARG 94 7.301 -16.764 -11.940 821 2HB ARG 94 1HB ARG 94 7.663 -15.805 -13.376 822 1HG ARG 94 2HG ARG 94 9.031 -15.040 -11.488 823 2HG ARG 94 1HG ARG 94 7.884 -13.784 -11.953 824 1HD ARG 94 2HD ARG 94 6.543 -14.123 -10.070 825 2HD ARG 94 1HD ARG 94 7.121 -15.772 -9.831 826 HE ARG 94 HE ARG 94 8.412 -13.340 -8.842 827 1HH1 ARG 94 1HH2 ARG 94 8.727 -16.640 -9.791 828 2HH1 ARG 94 2HH2 ARG 94 10.137 -16.921 -8.826 829 1HH2 ARG 94 1HH1 ARG 94 10.254 -13.689 -7.577 830 2HH2 ARG 94 2HH1 ARG 94 11.002 -15.251 -7.573 831 H TYR 95 H TYR 95 3.703 -14.762 -13.876 832 HA TYR 95 HA TYR 95 2.453 -15.811 -15.564 833 1HB TYR 95 2HB TYR 95 5.041 -17.212 -16.269 834 2HB TYR 95 1HB TYR 95 3.713 -16.783 -17.347 835 HD1 TYR 95 1HD TYR 95 6.775 -15.659 -15.771 836 HD2 TYR 95 2HD TYR 95 3.215 -14.337 -17.778 837 HE1 TYR 95 1HE TYR 95 7.838 -13.462 -16.209 838 HE2 TYR 95 2HE TYR 95 4.278 -12.140 -18.217 839 HH TYR 95 HH TYR 95 6.446 -11.145 -18.360 Start of MODEL 15 1 H ALA 1 H ALA 1 -23.604 -10.376 7.097 2 HA ALA 1 HA ALA 1 -21.269 -10.906 7.066 3 1HB ALA 1 1HB ALA 1 -22.674 -12.857 8.899 4 2HB ALA 1 2HB ALA 1 -21.838 -11.365 9.332 5 3HB ALA 1 3HB ALA 1 -20.915 -12.771 8.800 6 H GLY 2 H GLY 2 -20.308 -11.725 5.258 7 1HA GLY 2 2HA GLY 2 -19.475 -14.269 4.818 8 2HA GLY 2 1HA GLY 2 -21.120 -14.343 4.186 9 H TYR 3 H TYR 3 -18.147 -12.373 3.913 10 HA TYR 3 HA TYR 3 -18.974 -11.283 1.340 11 1HB TYR 3 2HB TYR 3 -17.079 -9.965 1.482 12 2HB TYR 3 1HB TYR 3 -17.253 -10.381 3.185 13 HD1 TYR 3 1HD TYR 3 -15.027 -10.361 0.438 14 HD2 TYR 3 2HD TYR 3 -16.100 -12.664 3.902 15 HE1 TYR 3 1HE TYR 3 -12.807 -11.457 0.396 16 HE2 TYR 3 2HE TYR 3 -13.878 -13.761 3.859 17 HH TYR 3 HH TYR 3 -11.630 -13.255 1.201 18 H THR 4 H THR 4 -18.400 -12.026 -0.696 19 HA THR 4 HA THR 4 -16.496 -14.309 -0.880 20 HB THR 4 HB THR 4 -18.010 -15.695 -2.067 21 HG1 THR 4 1HG THR 4 -19.078 -14.449 -3.433 22 1HG2 THR 4 1HG2 THR 4 -18.446 -15.382 0.439 23 2HG2 THR 4 2HG2 THR 4 -19.764 -16.076 -0.506 24 3HG2 THR 4 3HG2 THR 4 -19.816 -14.377 -0.036 25 H GLU 5 H GLU 5 -16.743 -14.846 -3.567 26 HA GLU 5 HA GLU 5 -15.198 -12.909 -4.839 27 1HB GLU 5 2HB GLU 5 -17.259 -14.784 -6.035 28 2HB GLU 5 1HB GLU 5 -16.116 -13.845 -6.998 29 1HG GLU 5 2HG GLU 5 -14.237 -14.908 -5.770 30 2HG GLU 5 1HG GLU 5 -15.399 -15.885 -4.871 31 H ILE 6 H ILE 6 -18.766 -13.183 -4.970 32 HA ILE 6 HA ILE 6 -19.212 -10.886 -6.578 33 HB ILE 6 HB ILE 6 -20.930 -12.101 -4.393 34 1HG1 ILE 6 2HG1 ILE 6 -21.207 -12.314 -7.400 35 2HG1 ILE 6 1HG1 ILE 6 -20.291 -13.483 -6.449 36 1HG2 ILE 6 1HG2 ILE 6 -21.732 -9.875 -4.712 37 2HG2 ILE 6 2HG2 ILE 6 -22.777 -10.900 -5.694 38 3HG2 ILE 6 3HG2 ILE 6 -21.493 -9.963 -6.457 39 1HD1 ILE 6 1HD1 ILE 6 -22.319 -13.893 -5.060 40 2HD1 ILE 6 2HD1 ILE 6 -22.574 -14.299 -6.757 41 3HD1 ILE 6 3HD1 ILE 6 -23.224 -12.796 -6.102 42 H GLU 7 H GLU 7 -19.365 -11.142 -3.001 43 HA GLU 7 HA GLU 7 -19.735 -8.409 -2.455 44 1HB GLU 7 2HB GLU 7 -19.530 -10.540 -0.869 45 2HB GLU 7 1HB GLU 7 -17.864 -9.981 -0.713 46 1HG GLU 7 2HG GLU 7 -19.110 -8.929 1.051 47 2HG GLU 7 1HG GLU 7 -18.804 -7.685 -0.161 48 H LYS 8 H LYS 8 -16.620 -10.166 -2.613 49 HA LYS 8 HA LYS 8 -14.881 -8.003 -2.279 50 1HB LYS 8 2HB LYS 8 -14.718 -10.688 -3.321 51 2HB LYS 8 1HB LYS 8 -13.781 -9.617 -4.361 52 1HG LYS 8 2HG LYS 8 -12.472 -8.829 -2.498 53 2HG LYS 8 1HG LYS 8 -13.522 -9.652 -1.343 54 1HD LYS 8 2HD LYS 8 -12.749 -11.791 -1.975 55 2HD LYS 8 1HD LYS 8 -12.078 -11.196 -3.494 56 1HE LYS 8 2HE LYS 8 -10.441 -11.697 -1.531 57 2HE LYS 8 1HE LYS 8 -10.234 -10.198 -2.435 58 1HZ LYS 8 1HZ LYS 8 -12.095 -9.934 -0.279 59 2HZ LYS 8 2HZ LYS 8 -10.735 -8.989 -0.657 60 3HZ LYS 8 3HZ LYS 8 -10.559 -10.409 0.260 61 H LEU 9 H LEU 9 -16.520 -9.038 -5.276 62 HA LEU 9 HA LEU 9 -15.255 -7.079 -6.952 63 1HB LEU 9 2HB LEU 9 -17.795 -8.692 -7.146 64 2HB LEU 9 1HB LEU 9 -17.434 -7.453 -8.349 65 HG LEU 9 HG LEU 9 -15.301 -9.452 -7.652 66 1HD1 LEU 9 1HD1 LEU 9 -16.225 -10.885 -9.535 67 2HD1 LEU 9 2HD1 LEU 9 -17.717 -9.953 -9.407 68 3HD1 LEU 9 3HD1 LEU 9 -17.162 -10.920 -8.041 69 1HD2 LEU 9 1HD2 LEU 9 -15.058 -7.409 -9.213 70 2HD2 LEU 9 2HD2 LEU 9 -16.081 -8.300 -10.338 71 3HD2 LEU 9 3HD2 LEU 9 -14.524 -8.965 -9.847 72 H GLU 10 H GLU 10 -18.296 -7.048 -5.103 73 HA GLU 10 HA GLU 10 -19.248 -4.524 -5.975 74 1HB GLU 10 2HB GLU 10 -20.337 -6.345 -4.425 75 2HB GLU 10 1HB GLU 10 -19.595 -5.416 -3.123 76 1HG GLU 10 2HG GLU 10 -21.757 -4.470 -3.367 77 2HG GLU 10 1HG GLU 10 -20.689 -3.351 -4.215 78 H ILE 11 H ILE 11 -17.360 -5.250 -3.011 79 HA ILE 11 HA ILE 11 -16.931 -2.460 -2.407 80 HB ILE 11 HB ILE 11 -14.936 -3.620 -1.033 81 1HG1 ILE 11 2HG1 ILE 11 -16.834 -5.936 -1.116 82 2HG1 ILE 11 1HG1 ILE 11 -15.651 -5.798 -2.416 83 1HG2 ILE 11 1HG2 ILE 11 -16.576 -4.045 0.769 84 2HG2 ILE 11 2HG2 ILE 11 -17.887 -3.949 -0.407 85 3HG2 ILE 11 3HG2 ILE 11 -16.910 -2.523 -0.056 86 1HD1 ILE 11 1HD1 ILE 11 -15.049 -7.080 -0.174 87 2HD1 ILE 11 2HD1 ILE 11 -14.707 -5.452 0.406 88 3HD1 ILE 11 3HD1 ILE 11 -13.845 -6.088 -0.995 89 H VAL 12 H VAL 12 -14.525 -4.915 -3.420 90 HA VAL 12 HA VAL 12 -12.349 -3.344 -3.942 91 HB VAL 12 HB VAL 12 -13.394 -5.504 -5.795 92 1HG1 VAL 12 1HG1 VAL 12 -11.666 -4.282 -6.925 93 2HG1 VAL 12 2HG1 VAL 12 -10.916 -5.748 -6.294 94 3HG1 VAL 12 3HG1 VAL 12 -10.678 -4.209 -5.465 95 1HG2 VAL 12 1HG2 VAL 12 -12.330 -7.068 -4.417 96 2HG2 VAL 12 2HG2 VAL 12 -12.955 -5.929 -3.226 97 3HG2 VAL 12 3HG2 VAL 12 -11.260 -5.862 -3.704 98 H LYS 13 H LYS 13 -15.220 -3.550 -6.037 99 HA LYS 13 HA LYS 13 -13.989 -1.732 -7.968 100 1HB LYS 13 2HB LYS 13 -15.618 -3.463 -8.685 101 2HB LYS 13 1HB LYS 13 -16.869 -2.658 -7.741 102 1HG LYS 13 2HG LYS 13 -15.421 -0.866 -9.595 103 2HG LYS 13 1HG LYS 13 -16.340 -2.139 -10.395 104 1HD LYS 13 2HD LYS 13 -18.374 -1.469 -9.260 105 2HD LYS 13 1HD LYS 13 -17.491 -0.305 -8.272 106 1HE LYS 13 2HE LYS 13 -16.799 0.839 -10.429 107 2HE LYS 13 1HE LYS 13 -17.949 -0.206 -11.263 108 1HZ LYS 13 1HZ LYS 13 -18.441 2.000 -9.415 109 2HZ LYS 13 2HZ LYS 13 -19.510 0.681 -9.354 110 3HZ LYS 13 3HZ LYS 13 -19.297 1.539 -10.805 111 H ASP 14 H ASP 14 -16.478 -1.483 -5.437 112 HA ASP 14 HA ASP 14 -17.053 1.300 -6.002 113 1HB ASP 14 2HB ASP 14 -18.575 -0.314 -4.770 114 2HB ASP 14 1HB ASP 14 -17.497 -0.155 -3.384 115 H HIS 15 H HIS 15 -15.678 0.002 -2.978 116 HA HIS 15 HA HIS 15 -14.581 2.269 -1.917 117 1HB HIS 15 2HB HIS 15 -13.363 0.909 -0.536 118 2HB HIS 15 1HB HIS 15 -14.403 -0.319 -1.251 119 HD1 HIS 15 1HD HIS 15 -11.063 -0.012 -0.402 120 HD2 HIS 15 2HD HIS 15 -12.913 -1.080 -3.985 121 HE1 HIS 15 1HE HIS 15 -9.334 -1.280 -1.752 122 HE2 HIS 15 2HE HIS 15 -10.451 -1.937 -3.933 123 H LEU 16 H LEU 16 -13.228 0.429 -4.604 124 HA LEU 16 HA LEU 16 -10.681 1.283 -4.937 125 1HB LEU 16 2HB LEU 16 -12.445 0.172 -6.612 126 2HB LEU 16 1HB LEU 16 -12.439 1.789 -7.301 127 HG LEU 16 HG LEU 16 -10.003 0.041 -6.849 128 1HD1 LEU 16 1HD1 LEU 16 -11.085 -0.832 -8.744 129 2HD1 LEU 16 2HD1 LEU 16 -9.973 0.343 -9.447 130 3HD1 LEU 16 3HD1 LEU 16 -11.678 0.749 -9.252 131 1HD2 LEU 16 1HD2 LEU 16 -9.014 1.957 -8.349 132 2HD2 LEU 16 2HD2 LEU 16 -9.191 2.231 -6.617 133 3HD2 LEU 16 3HD2 LEU 16 -10.377 2.895 -7.741 134 H LEU 17 H LEU 17 -13.501 3.420 -5.563 135 HA LEU 17 HA LEU 17 -11.719 5.598 -6.340 136 1HB LEU 17 2HB LEU 17 -14.640 5.160 -6.237 137 2HB LEU 17 1HB LEU 17 -14.128 6.826 -5.962 138 HG LEU 17 HG LEU 17 -12.968 5.254 -8.254 139 1HD1 LEU 17 1HD1 LEU 17 -15.637 6.687 -8.181 140 2HD1 LEU 17 2HD1 LEU 17 -15.349 4.991 -8.575 141 3HD1 LEU 17 3HD1 LEU 17 -14.797 6.259 -9.671 142 1HD2 LEU 17 1HD2 LEU 17 -12.156 7.566 -7.435 143 2HD2 LEU 17 2HD2 LEU 17 -13.677 8.189 -8.074 144 3HD2 LEU 17 3HD2 LEU 17 -12.520 7.410 -9.153 145 HA PRO 18 HA PRO 18 -13.121 7.810 -2.303 146 1HB PRO 18 2HB PRO 18 -14.482 6.226 -0.456 147 2HB PRO 18 1HB PRO 18 -15.244 7.355 -1.589 148 1HG PRO 18 2HG PRO 18 -14.918 4.411 -1.786 149 2HG PRO 18 1HG PRO 18 -16.283 5.430 -2.269 150 1HD PRO 18 2HD PRO 18 -14.550 4.438 -4.091 151 2HD PRO 18 1HD PRO 18 -15.294 6.043 -4.280 152 H LYS 19 H LYS 19 -12.629 4.322 -1.587 153 HA LYS 19 HA LYS 19 -11.233 4.465 0.781 154 1HB LYS 19 2HB LYS 19 -11.678 2.450 -0.897 155 2HB LYS 19 1HB LYS 19 -10.007 2.763 -1.359 156 1HG LYS 19 2HG LYS 19 -11.028 2.152 1.432 157 2HG LYS 19 1HG LYS 19 -10.030 1.105 0.423 158 1HD LYS 19 2HD LYS 19 -8.320 3.024 0.404 159 2HD LYS 19 1HD LYS 19 -9.259 3.718 1.727 160 1HE LYS 19 2HE LYS 19 -8.023 0.949 1.707 161 2HE LYS 19 1HE LYS 19 -7.411 2.342 2.600 162 1HZ LYS 19 1HZ LYS 19 -9.201 0.532 3.533 163 2HZ LYS 19 2HZ LYS 19 -10.194 1.832 3.070 164 3HZ LYS 19 3HZ LYS 19 -8.934 2.077 4.182 165 H GLN 20 H GLN 20 -9.607 4.678 -2.410 166 HA GLN 20 HA GLN 20 -7.143 5.624 -1.157 167 1HB GLN 20 2HB GLN 20 -7.676 5.822 -4.104 168 2HB GLN 20 1HB GLN 20 -6.179 5.416 -3.264 169 1HG GLN 20 2HG GLN 20 -8.644 3.662 -3.488 170 2HG GLN 20 1HG GLN 20 -7.096 3.401 -4.290 171 1HE2 GLN 20 1HE2 GLN 20 -8.334 1.535 -2.386 172 2HE2 GLN 20 2HE2 GLN 20 -7.280 1.415 -1.061 173 H ILE 21 H ILE 21 -9.581 7.097 -3.312 174 HA ILE 21 HA ILE 21 -8.433 9.629 -3.578 175 HB ILE 21 HB ILE 21 -11.327 8.790 -3.426 176 1HG1 ILE 21 2HG1 ILE 21 -9.998 8.016 -5.367 177 2HG1 ILE 21 1HG1 ILE 21 -11.230 9.173 -5.859 178 1HG2 ILE 21 1HG2 ILE 21 -10.133 11.526 -3.854 179 2HG2 ILE 21 2HG2 ILE 21 -11.447 11.061 -2.775 180 3HG2 ILE 21 3HG2 ILE 21 -11.708 11.094 -4.518 181 1HD1 ILE 21 1HD1 ILE 21 -8.271 9.437 -5.866 182 2HD1 ILE 21 2HD1 ILE 21 -9.166 10.877 -5.384 183 3HD1 ILE 21 3HD1 ILE 21 -9.464 10.138 -6.955 184 H LYS 22 H LYS 22 -10.355 8.440 -0.817 185 HA LYS 22 HA LYS 22 -10.523 11.028 0.432 186 1HB LYS 22 2HB LYS 22 -10.954 8.204 1.348 187 2HB LYS 22 1HB LYS 22 -10.905 9.501 2.543 188 1HG LYS 22 2HG LYS 22 -12.675 10.705 1.312 189 2HG LYS 22 1HG LYS 22 -12.734 9.402 0.125 190 1HD LYS 22 2HD LYS 22 -13.604 7.857 1.685 191 2HD LYS 22 1HD LYS 22 -13.120 8.844 3.065 192 1HE LYS 22 2HE LYS 22 -15.143 9.805 1.035 193 2HE LYS 22 1HE LYS 22 -15.612 8.883 2.462 194 1HZ LYS 22 1HZ LYS 22 -14.650 11.612 2.252 195 2HZ LYS 22 2HZ LYS 22 -14.027 10.717 3.555 196 3HZ LYS 22 3HZ LYS 22 -15.705 10.917 3.382 197 H GLU 23 H GLU 23 -8.864 8.333 2.031 198 HA GLU 23 HA GLU 23 -7.176 9.769 3.659 199 1HB GLU 23 2HB GLU 23 -7.196 7.333 3.703 200 2HB GLU 23 1HB GLU 23 -6.468 7.267 2.097 201 1HG GLU 23 2HG GLU 23 -4.402 8.146 2.878 202 2HG GLU 23 1HG GLU 23 -5.116 8.677 4.402 203 H HIS 24 H HIS 24 -6.679 9.086 0.237 204 HA HIS 24 HA HIS 24 -4.131 10.539 0.171 205 1HB HIS 24 2HB HIS 24 -5.773 9.633 -2.205 206 2HB HIS 24 1HB HIS 24 -4.031 9.904 -2.125 207 HD1 HIS 24 1HD HIS 24 -6.198 7.933 0.316 208 HD2 HIS 24 2HD HIS 24 -3.026 7.302 -2.313 209 HE1 HIS 24 1HE HIS 24 -5.432 5.545 0.670 210 HE2 HIS 24 2HE HIS 24 -3.510 5.151 -0.931 211 H GLY 25 H GLY 25 -7.495 11.060 -0.732 212 1HA GLY 25 2HA GLY 25 -7.520 13.352 -2.231 213 2HA GLY 25 1HA GLY 25 -8.656 13.116 -0.904 214 H LEU 26 H LEU 26 -6.669 13.147 1.202 215 HA LEU 26 HA LEU 26 -6.669 15.721 2.106 216 1HB LEU 26 2HB LEU 26 -5.398 13.521 2.969 217 2HB LEU 26 1HB LEU 26 -4.003 14.375 2.314 218 HG LEU 26 HG LEU 26 -5.956 15.448 4.374 219 1HD1 LEU 26 1HD1 LEU 26 -4.413 13.842 5.337 220 2HD1 LEU 26 2HD1 LEU 26 -3.891 15.460 5.805 221 3HD1 LEU 26 3HD1 LEU 26 -3.049 14.598 4.517 222 1HD2 LEU 26 1HD2 LEU 26 -3.687 16.703 2.831 223 2HD2 LEU 26 2HD2 LEU 26 -4.106 17.291 4.440 224 3HD2 LEU 26 3HD2 LEU 26 -5.299 17.346 3.144 225 H LYS 27 H LYS 27 -4.432 14.455 -0.351 226 HA LYS 27 HA LYS 27 -3.361 17.206 -0.770 227 1HB LYS 27 2HB LYS 27 -2.514 14.485 -1.813 228 2HB LYS 27 1HB LYS 27 -1.803 15.998 -2.372 229 1HG LYS 27 2HG LYS 27 -1.389 16.486 0.149 230 2HG LYS 27 1HG LYS 27 -1.671 14.760 0.376 231 1HD LYS 27 2HD LYS 27 0.625 14.759 0.041 232 2HD LYS 27 1HD LYS 27 0.070 14.545 -1.618 233 1HE LYS 27 2HE LYS 27 1.686 16.292 -1.721 234 2HE LYS 27 1HE LYS 27 0.125 17.106 -1.799 235 1HZ LYS 27 1HZ LYS 27 0.343 17.939 0.284 236 2HZ LYS 27 2HZ LYS 27 1.990 17.854 -0.124 237 3HZ LYS 27 3HZ LYS 27 1.287 16.645 0.841 238 H LYS 28 H LYS 28 -3.476 18.112 -2.959 239 HA LYS 28 HA LYS 28 -5.930 18.113 -4.211 240 1HB LYS 28 2HB LYS 28 -4.775 18.812 -6.294 241 2HB LYS 28 1HB LYS 28 -4.116 19.628 -4.877 242 1HG LYS 28 2HG LYS 28 -2.375 17.742 -4.795 243 2HG LYS 28 1HG LYS 28 -2.925 17.316 -6.415 244 1HD LYS 28 2HD LYS 28 -1.211 18.785 -6.950 245 2HD LYS 28 1HD LYS 28 -2.564 19.912 -6.862 246 1HE LYS 28 2HE LYS 28 -0.645 20.783 -5.596 247 2HE LYS 28 1HE LYS 28 -1.977 20.411 -4.503 248 1HZ LYS 28 1HZ LYS 28 -0.916 18.573 -3.680 249 2HZ LYS 28 2HZ LYS 28 0.413 19.590 -3.973 250 3HZ LYS 28 3HZ LYS 28 0.034 18.347 -5.067 251 H SER 29 H SER 29 -6.797 17.013 -6.120 252 HA SER 29 HA SER 29 -6.888 14.265 -6.080 253 1HB SER 29 2HB SER 29 -8.363 15.390 -7.579 254 2HB SER 29 1HB SER 29 -7.027 16.143 -8.446 255 HG SER 29 HG SER 29 -6.598 14.274 -9.434 256 H ASN 30 H ASN 30 -4.909 13.246 -5.667 257 HA ASN 30 HA ASN 30 -2.920 13.359 -7.898 258 1HB ASN 30 2HB ASN 30 -2.552 14.071 -5.188 259 2HB ASN 30 1HB ASN 30 -1.742 12.521 -5.375 260 1HD2 ASN 30 1HD2 ASN 30 -1.241 15.822 -5.694 261 2HD2 ASN 30 2HD2 ASN 30 0.051 15.792 -6.794 262 H LEU 31 H LEU 31 -4.876 11.497 -8.173 263 HA LEU 31 HA LEU 31 -3.351 9.019 -7.969 264 1HB LEU 31 2HB LEU 31 -4.528 9.353 -5.699 265 2HB LEU 31 1HB LEU 31 -6.026 9.040 -6.574 266 HG LEU 31 HG LEU 31 -4.711 6.938 -7.487 267 1HD1 LEU 31 1HD1 LEU 31 -3.195 6.033 -5.701 268 2HD1 LEU 31 2HD1 LEU 31 -3.261 7.606 -4.906 269 3HD1 LEU 31 3HD1 LEU 31 -2.546 7.458 -6.512 270 1HD2 LEU 31 1HD2 LEU 31 -6.713 6.700 -6.176 271 2HD2 LEU 31 2HD2 LEU 31 -5.884 7.220 -4.708 272 3HD2 LEU 31 3HD2 LEU 31 -5.492 5.663 -5.440 273 H GLN 32 H GLN 32 -3.861 7.761 -9.695 274 HA GLN 32 HA GLN 32 -6.583 7.918 -10.866 275 1HB GLN 32 2HB GLN 32 -4.111 8.973 -12.097 276 2HB GLN 32 1HB GLN 32 -5.024 7.884 -13.143 277 1HG GLN 32 2HG GLN 32 -7.078 9.240 -12.677 278 2HG GLN 32 1HG GLN 32 -6.080 10.373 -11.766 279 1HE2 GLN 32 1HE2 GLN 32 -5.710 8.700 -14.953 280 2HE2 GLN 32 2HE2 GLN 32 -5.319 10.113 -15.808 281 H LEU 33 H LEU 33 -6.772 5.754 -10.042 282 HA LEU 33 HA LEU 33 -4.904 3.724 -11.133 283 1HB LEU 33 2HB LEU 33 -6.891 3.839 -8.909 284 2HB LEU 33 1HB LEU 33 -6.652 2.270 -9.677 285 HG LEU 33 HG LEU 33 -4.248 3.889 -8.878 286 1HD1 LEU 33 1HD1 LEU 33 -5.728 3.842 -6.886 287 2HD1 LEU 33 2HD1 LEU 33 -4.290 2.848 -6.653 288 3HD1 LEU 33 3HD1 LEU 33 -5.837 2.087 -7.023 289 1HD2 LEU 33 1HD2 LEU 33 -4.682 0.907 -8.691 290 2HD2 LEU 33 2HD2 LEU 33 -3.168 1.789 -8.877 291 3HD2 LEU 33 3HD2 LEU 33 -4.287 1.667 -10.232 292 H ARG 34 H ARG 34 -5.465 2.406 -12.802 293 HA ARG 34 HA ARG 34 -8.102 2.817 -14.074 294 1HB ARG 34 2HB ARG 34 -5.696 1.181 -14.940 295 2HB ARG 34 1HB ARG 34 -7.148 1.440 -15.905 296 1HG ARG 34 2HG ARG 34 -6.700 3.953 -15.610 297 2HG ARG 34 1HG ARG 34 -5.097 3.484 -15.040 298 1HD ARG 34 2HD ARG 34 -4.772 2.203 -17.165 299 2HD ARG 34 1HD ARG 34 -6.318 2.830 -17.737 300 HE ARG 34 HE ARG 34 -5.254 4.891 -18.162 301 1HH1 ARG 34 1HH2 ARG 34 -3.426 2.904 -16.018 302 2HH1 ARG 34 2HH2 ARG 34 -2.053 3.961 -15.997 303 1HH2 ARG 34 1HH1 ARG 34 -3.474 6.283 -18.145 304 2HH2 ARG 34 2HH1 ARG 34 -2.081 5.873 -17.202 305 H ASP 35 H ASP 35 -9.404 0.900 -14.705 306 HA ASP 35 HA ASP 35 -9.879 -0.854 -12.502 307 1HB ASP 35 2HB ASP 35 -10.675 -1.401 -15.370 308 2HB ASP 35 1HB ASP 35 -11.502 -1.919 -13.902 309 H GLN 36 H GLN 36 -8.140 -1.342 -15.570 310 HA GLN 36 HA GLN 36 -7.603 -4.108 -15.290 311 1HB GLN 36 2HB GLN 36 -7.127 -2.688 -17.321 312 2HB GLN 36 1HB GLN 36 -5.716 -2.053 -16.472 313 1HG GLN 36 2HG GLN 36 -4.818 -4.340 -16.245 314 2HG GLN 36 1HG GLN 36 -6.227 -4.978 -17.095 315 1HE2 GLN 36 1HE2 GLN 36 -3.441 -2.751 -17.538 316 2HE2 GLN 36 2HE2 GLN 36 -3.366 -2.937 -19.224 317 H ALA 37 H ALA 37 -5.853 -1.299 -13.980 318 HA ALA 37 HA ALA 37 -3.620 -2.720 -12.933 319 1HB ALA 37 1HB ALA 37 -3.197 -0.784 -11.602 320 2HB ALA 37 2HB ALA 37 -4.899 -0.321 -11.609 321 3HB ALA 37 3HB ALA 37 -3.942 -0.186 -13.084 322 H ILE 38 H ILE 38 -6.223 -1.392 -10.885 323 HA ILE 38 HA ILE 38 -5.794 -2.887 -8.600 324 HB ILE 38 HB ILE 38 -8.269 -1.785 -9.887 325 1HG1 ILE 38 2HG1 ILE 38 -6.426 -0.610 -8.374 326 2HG1 ILE 38 1HG1 ILE 38 -8.125 -0.190 -8.202 327 1HG2 ILE 38 1HG2 ILE 38 -9.478 -2.501 -7.714 328 2HG2 ILE 38 2HG2 ILE 38 -8.202 -3.710 -7.565 329 3HG2 ILE 38 3HG2 ILE 38 -9.266 -3.721 -8.971 330 1HD1 ILE 38 1HD1 ILE 38 -6.801 -0.717 -6.043 331 2HD1 ILE 38 2HD1 ILE 38 -6.898 -2.401 -6.558 332 3HD1 ILE 38 3HD1 ILE 38 -8.373 -1.488 -6.246 333 H LEU 39 H LEU 39 -7.526 -3.959 -11.520 334 HA LEU 39 HA LEU 39 -8.371 -6.482 -10.439 335 1HB LEU 39 2HB LEU 39 -7.971 -5.427 -13.235 336 2HB LEU 39 1HB LEU 39 -8.398 -7.116 -12.966 337 HG LEU 39 HG LEU 39 -9.984 -4.883 -11.691 338 1HD1 LEU 39 1HD1 LEU 39 -10.226 -6.034 -14.478 339 2HD1 LEU 39 2HD1 LEU 39 -10.126 -4.338 -14.009 340 3HD1 LEU 39 3HD1 LEU 39 -11.585 -5.265 -13.657 341 1HD2 LEU 39 1HD2 LEU 39 -10.427 -7.810 -12.318 342 2HD2 LEU 39 2HD2 LEU 39 -11.777 -6.730 -11.981 343 3HD2 LEU 39 3HD2 LEU 39 -10.538 -6.996 -10.758 344 H ASP 40 H ASP 40 -5.459 -5.457 -12.166 345 HA ASP 40 HA ASP 40 -4.337 -8.101 -12.405 346 1HB ASP 40 2HB ASP 40 -3.681 -6.014 -13.726 347 2HB ASP 40 1HB ASP 40 -2.768 -5.520 -12.301 348 H ILE 41 H ILE 41 -3.256 -5.403 -10.294 349 HA ILE 41 HA ILE 41 -1.453 -6.758 -8.711 350 HB ILE 41 HB ILE 41 -2.276 -4.301 -8.555 351 1HG1 ILE 41 2HG1 ILE 41 -1.579 -5.916 -6.082 352 2HG1 ILE 41 1HG1 ILE 41 -0.433 -5.197 -7.213 353 1HG2 ILE 41 1HG2 ILE 41 -4.628 -5.126 -7.899 354 2HG2 ILE 41 2HG2 ILE 41 -3.953 -3.797 -6.960 355 3HG2 ILE 41 3HG2 ILE 41 -3.941 -5.434 -6.306 356 1HD1 ILE 41 1HD1 ILE 41 -2.165 -3.864 -5.167 357 2HD1 ILE 41 2HD1 ILE 41 -1.761 -2.974 -6.634 358 3HD1 ILE 41 3HD1 ILE 41 -0.479 -3.557 -5.574 359 H ILE 42 H ILE 42 -4.997 -6.894 -8.362 360 HA ILE 42 HA ILE 42 -4.853 -8.572 -5.984 361 HB ILE 42 HB ILE 42 -7.113 -7.949 -7.906 362 1HG1 ILE 42 2HG1 ILE 42 -6.676 -7.085 -5.033 363 2HG1 ILE 42 1HG1 ILE 42 -6.185 -6.114 -6.422 364 1HG2 ILE 42 1HG2 ILE 42 -7.655 -10.072 -6.963 365 2HG2 ILE 42 2HG2 ILE 42 -8.525 -8.890 -5.985 366 3HG2 ILE 42 3HG2 ILE 42 -7.033 -9.609 -5.379 367 1HD1 ILE 42 1HD1 ILE 42 -8.435 -5.472 -5.543 368 2HD1 ILE 42 2HD1 ILE 42 -9.013 -7.093 -5.931 369 3HD1 ILE 42 3HD1 ILE 42 -8.485 -6.012 -7.221 370 H ARG 43 H ARG 43 -5.329 -9.136 -9.450 371 HA ARG 43 HA ARG 43 -5.866 -11.951 -9.219 372 1HB ARG 43 2HB ARG 43 -5.117 -10.085 -11.434 373 2HB ARG 43 1HB ARG 43 -4.925 -11.813 -11.720 374 1HG ARG 43 2HG ARG 43 -7.320 -12.104 -10.923 375 2HG ARG 43 1HG ARG 43 -7.463 -10.346 -10.959 376 1HD ARG 43 2HD ARG 43 -8.274 -11.387 -13.064 377 2HD ARG 43 1HD ARG 43 -6.897 -10.323 -13.342 378 HE ARG 43 HE ARG 43 -5.690 -12.761 -13.018 379 1HH1 ARG 43 1HH2 ARG 43 -8.364 -11.615 -14.868 380 2HH1 ARG 43 2HH2 ARG 43 -8.133 -12.754 -16.153 381 1HH2 ARG 43 1HH1 ARG 43 -5.372 -14.254 -14.684 382 2HH2 ARG 43 2HH1 ARG 43 -6.439 -14.248 -16.049 383 H TYR 44 H TYR 44 -2.818 -10.149 -9.707 384 HA TYR 44 HA TYR 44 -1.274 -12.596 -10.040 385 1HB TYR 44 2HB TYR 44 -0.614 -9.678 -9.712 386 2HB TYR 44 1HB TYR 44 0.662 -10.887 -9.573 387 HD1 TYR 44 1HD TYR 44 1.871 -11.208 -11.536 388 HD2 TYR 44 2HD TYR 44 -2.333 -10.357 -11.789 389 HE1 TYR 44 1HE TYR 44 1.986 -11.367 -14.007 390 HE2 TYR 44 2HE TYR 44 -2.216 -10.518 -14.259 391 HH TYR 44 HH TYR 44 -0.765 -11.600 -15.965 392 H TYR 45 H TYR 45 -1.907 -10.349 -7.373 393 HA TYR 45 HA TYR 45 -0.133 -11.808 -5.561 394 1HB TYR 45 2HB TYR 45 -2.097 -9.542 -5.174 395 2HB TYR 45 1HB TYR 45 -1.166 -10.240 -3.849 396 HD1 TYR 45 1HD TYR 45 -0.565 -9.093 -7.380 397 HD2 TYR 45 2HD TYR 45 0.837 -9.176 -3.321 398 HE1 TYR 45 1HE TYR 45 1.391 -7.741 -8.035 399 HE2 TYR 45 2HE TYR 45 2.800 -7.818 -3.979 400 HH TYR 45 HH TYR 45 3.068 -6.396 -7.172 401 H THR 46 H THR 46 -3.666 -11.150 -5.435 402 HA THR 46 HA THR 46 -5.353 -12.401 -4.379 403 HB THR 46 HB THR 46 -3.904 -14.900 -5.186 404 HG1 THR 46 1HG THR 46 -3.531 -13.988 -7.041 405 1HG2 THR 46 1HG2 THR 46 -6.261 -14.798 -4.232 406 2HG2 THR 46 2HG2 THR 46 -6.105 -15.627 -5.782 407 3HG2 THR 46 3HG2 THR 46 -6.734 -13.980 -5.722 408 H ARG 47 H ARG 47 -2.493 -12.071 -3.058 409 HA ARG 47 HA ARG 47 -2.704 -14.257 -1.053 410 1HB ARG 47 2HB ARG 47 -0.492 -13.398 -0.275 411 2HB ARG 47 1HB ARG 47 -0.476 -13.879 -1.971 412 1HG ARG 47 2HG ARG 47 0.030 -11.783 -2.650 413 2HG ARG 47 1HG ARG 47 -1.262 -11.082 -1.676 414 1HD ARG 47 2HD ARG 47 1.363 -11.994 -0.480 415 2HD ARG 47 1HD ARG 47 1.106 -10.351 -1.066 416 HE ARG 47 HE ARG 47 -1.009 -11.075 0.736 417 1HH1 ARG 47 1HH2 ARG 47 2.343 -10.287 0.563 418 2HH1 ARG 47 2HH2 ARG 47 2.403 -9.612 2.158 419 1HH2 ARG 47 1HH1 ARG 47 -0.951 -10.199 2.818 420 2HH2 ARG 47 2HH1 ARG 47 0.538 -9.562 3.434 421 H GLU 48 H GLU 48 -4.768 -12.337 -0.960 422 HA GLU 48 HA GLU 48 -4.032 -10.524 1.281 423 1HB GLU 48 2HB GLU 48 -6.617 -9.926 0.845 424 2HB GLU 48 1HB GLU 48 -5.321 -9.232 -0.128 425 1HG GLU 48 2HG GLU 48 -6.505 -11.867 -0.953 426 2HG GLU 48 1HG GLU 48 -7.388 -10.382 -1.305 427 H ALA 49 H ALA 49 -6.167 -13.247 0.502 428 HA ALA 49 HA ALA 49 -7.475 -14.606 1.911 429 1HB ALA 49 1HB ALA 49 -5.260 -15.291 2.681 430 2HB ALA 49 2HB ALA 49 -6.350 -15.192 4.064 431 3HB ALA 49 3HB ALA 49 -5.180 -13.905 3.767 432 H GLY 50 H GLY 50 -8.688 -12.235 1.766 433 1HA GLY 50 2HA GLY 50 -10.524 -11.790 3.557 434 2HA GLY 50 1HA GLY 50 -9.160 -11.300 4.563 435 H VAL 51 H VAL 51 -11.337 -9.585 3.725 436 HA VAL 51 HA VAL 51 -10.414 -7.907 1.543 437 HB VAL 51 HB VAL 51 -12.196 -6.363 2.297 438 1HG1 VAL 51 1HG1 VAL 51 -14.070 -7.879 1.898 439 2HG1 VAL 51 2HG1 VAL 51 -13.072 -9.267 2.331 440 3HG1 VAL 51 3HG1 VAL 51 -12.715 -8.346 0.870 441 1HG2 VAL 51 1HG2 VAL 51 -13.645 -7.250 4.219 442 2HG2 VAL 51 2HG2 VAL 51 -12.092 -6.549 4.676 443 3HG2 VAL 51 3HG2 VAL 51 -12.287 -8.302 4.619 444 H ARG 52 H ARG 52 -10.274 -7.702 5.095 445 HA ARG 52 HA ARG 52 -9.294 -5.142 5.481 446 1HB ARG 52 2HB ARG 52 -8.990 -7.725 6.863 447 2HB ARG 52 1HB ARG 52 -7.652 -6.617 7.162 448 1HG ARG 52 2HG ARG 52 -10.578 -5.869 7.468 449 2HG ARG 52 1HG ARG 52 -9.545 -6.381 8.801 450 1HD ARG 52 2HD ARG 52 -7.988 -4.428 7.700 451 2HD ARG 52 1HD ARG 52 -9.596 -3.802 7.339 452 HE ARG 52 HE ARG 52 -8.403 -4.039 9.997 453 1HH1 ARG 52 1HH2 ARG 52 -11.269 -3.884 8.087 454 2HH1 ARG 52 2HH2 ARG 52 -12.253 -3.270 9.374 455 1HH2 ARG 52 1HH1 ARG 52 -9.671 -3.239 11.687 456 2HH2 ARG 52 2HH1 ARG 52 -11.348 -2.906 11.412 457 H SER 53 H SER 53 -7.237 -7.993 4.759 458 HA SER 53 HA SER 53 -4.851 -6.433 4.423 459 1HB SER 53 2HB SER 53 -5.465 -9.095 3.135 460 2HB SER 53 1HB SER 53 -3.875 -8.422 3.482 461 HG SER 53 HG SER 53 -5.541 -9.823 5.081 462 H LEU 54 H LEU 54 -7.308 -7.593 2.135 463 HA LEU 54 HA LEU 54 -6.062 -6.874 -0.282 464 1HB LEU 54 2HB LEU 54 -8.265 -8.020 -0.130 465 2HB LEU 54 1HB LEU 54 -8.991 -6.515 0.430 466 HG LEU 54 HG LEU 54 -7.430 -6.232 -2.064 467 1HD1 LEU 54 1HD1 LEU 54 -9.234 -7.252 -3.458 468 2HD1 LEU 54 2HD1 LEU 54 -9.949 -7.919 -1.991 469 3HD1 LEU 54 3HD1 LEU 54 -8.347 -8.445 -2.511 470 1HD2 LEU 54 1HD2 LEU 54 -9.384 -4.900 -2.701 471 2HD2 LEU 54 2HD2 LEU 54 -8.893 -4.473 -1.061 472 3HD2 LEU 54 3HD2 LEU 54 -10.287 -5.522 -1.319 473 H GLU 55 H GLU 55 -8.360 -4.838 1.552 474 HA GLU 55 HA GLU 55 -7.876 -2.458 0.122 475 1HB GLU 55 2HB GLU 55 -9.247 -1.467 1.665 476 2HB GLU 55 1HB GLU 55 -9.547 -3.132 2.154 477 1HG GLU 55 2HG GLU 55 -7.607 -2.876 3.782 478 2HG GLU 55 1HG GLU 55 -7.633 -1.153 3.414 479 H ARG 56 H ARG 56 -6.087 -3.868 2.857 480 HA ARG 56 HA ARG 56 -4.431 -1.582 3.345 481 1HB ARG 56 2HB ARG 56 -4.658 -3.630 4.826 482 2HB ARG 56 1HB ARG 56 -3.609 -4.476 3.688 483 1HG ARG 56 2HG ARG 56 -1.920 -2.614 4.014 484 2HG ARG 56 1HG ARG 56 -2.935 -2.023 5.330 485 1HD ARG 56 2HD ARG 56 -2.628 -4.025 6.596 486 2HD ARG 56 1HD ARG 56 -1.922 -4.871 5.219 487 HE ARG 56 HE ARG 56 -0.502 -3.107 7.029 488 1HH1 ARG 56 1HH2 ARG 56 -0.775 -4.257 3.790 489 2HH1 ARG 56 2HH2 ARG 56 0.889 -3.967 3.406 490 1HH2 ARG 56 1HH1 ARG 56 1.672 -2.721 6.545 491 2HH2 ARG 56 2HH1 ARG 56 2.274 -3.098 4.967 492 H GLN 57 H GLN 57 -4.032 -4.345 1.135 493 HA GLN 57 HA GLN 57 -1.396 -3.641 0.256 494 1HB GLN 57 2HB GLN 57 -2.457 -5.861 -0.140 495 2HB GLN 57 1HB GLN 57 -3.563 -5.103 -1.283 496 1HG GLN 57 2HG GLN 57 -2.017 -5.264 -2.922 497 2HG GLN 57 1HG GLN 57 -0.879 -4.319 -1.965 498 1HE2 GLN 57 1HE2 GLN 57 -0.439 -6.097 0.207 499 2HE2 GLN 57 2HE2 GLN 57 0.315 -7.502 -0.376 500 H LEU 58 H LEU 58 -4.614 -2.917 -1.122 501 HA LEU 58 HA LEU 58 -3.567 -1.349 -3.303 502 1HB LEU 58 2HB LEU 58 -6.295 -1.010 -2.037 503 2HB LEU 58 1HB LEU 58 -5.832 -0.710 -3.713 504 HG LEU 58 HG LEU 58 -5.790 -3.419 -2.359 505 1HD1 LEU 58 1HD1 LEU 58 -8.067 -2.993 -2.661 506 2HD1 LEU 58 2HD1 LEU 58 -7.644 -3.777 -4.182 507 3HD1 LEU 58 3HD1 LEU 58 -7.797 -2.021 -4.105 508 1HD2 LEU 58 1HD2 LEU 58 -5.607 -4.092 -4.873 509 2HD2 LEU 58 2HD2 LEU 58 -4.161 -3.501 -4.055 510 3HD2 LEU 58 3HD2 LEU 58 -5.074 -2.427 -5.116 511 H ALA 59 H ALA 59 -4.700 -0.537 -0.034 512 HA ALA 59 HA ALA 59 -4.509 2.299 -0.298 513 1HB ALA 59 1HB ALA 59 -5.569 1.249 1.659 514 2HB ALA 59 2HB ALA 59 -4.244 2.289 2.181 515 3HB ALA 59 3HB ALA 59 -4.025 0.540 2.133 516 H ALA 60 H ALA 60 -2.157 -0.224 0.442 517 HA ALA 60 HA ALA 60 0.042 1.466 1.117 518 1HB ALA 60 1HB ALA 60 0.282 -1.177 -0.330 519 2HB ALA 60 2HB ALA 60 -0.135 -1.074 1.380 520 3HB ALA 60 3HB ALA 60 1.417 -0.457 0.812 521 H ILE 61 H ILE 61 -0.490 -0.229 -2.017 522 HA ILE 61 HA ILE 61 1.510 1.204 -3.422 523 HB ILE 61 HB ILE 61 0.067 -0.871 -4.137 524 1HG1 ILE 61 2HG1 ILE 61 0.966 1.326 -6.025 525 2HG1 ILE 61 1HG1 ILE 61 1.901 -0.070 -5.490 526 1HG2 ILE 61 1HG2 ILE 61 -1.826 -0.419 -5.511 527 2HG2 ILE 61 2HG2 ILE 61 -1.481 1.309 -5.549 528 3HG2 ILE 61 3HG2 ILE 61 -2.059 0.557 -4.066 529 1HD1 ILE 61 1HD1 ILE 61 0.049 -1.510 -6.542 530 2HD1 ILE 61 2HD1 ILE 61 1.117 -0.660 -7.655 531 3HD1 ILE 61 3HD1 ILE 61 -0.496 -0.030 -7.330 532 H CYS 62 H CYS 62 -1.923 1.977 -2.934 533 HA CYS 62 HA CYS 62 -2.130 4.199 -4.652 534 1HB CYS 62 2HB CYS 62 -3.409 3.698 -1.952 535 2HB CYS 62 1HB CYS 62 -3.882 5.011 -3.032 536 HG CYS 62 HG CYS 62 -4.025 2.585 -4.687 537 H ARG 63 H ARG 63 -1.751 4.590 -1.106 538 HA ARG 63 HA ARG 63 -0.852 7.261 -1.237 539 1HB ARG 63 2HB ARG 63 0.096 5.241 0.796 540 2HB ARG 63 1HB ARG 63 -0.036 6.987 1.000 541 1HG ARG 63 2HG ARG 63 -2.488 6.828 0.718 542 2HG ARG 63 1HG ARG 63 -2.347 5.076 0.554 543 1HD ARG 63 2HD ARG 63 -1.776 6.773 2.987 544 2HD ARG 63 1HD ARG 63 -2.916 5.437 2.832 545 HE ARG 63 HE ARG 63 -0.095 4.720 2.408 546 1HH1 ARG 63 1HH2 ARG 63 -2.785 5.022 4.547 547 2HH1 ARG 63 2HH2 ARG 63 -2.167 3.883 5.696 548 1HH2 ARG 63 1HH1 ARG 63 0.726 3.235 3.897 549 2HH2 ARG 63 2HH1 ARG 63 -0.179 2.871 5.327 550 H LYS 64 H LYS 64 1.091 4.251 -1.213 551 HA LYS 64 HA LYS 64 3.673 5.252 -1.180 552 1HB LYS 64 2HB LYS 64 3.031 2.828 -1.511 553 2HB LYS 64 1HB LYS 64 2.714 3.201 -3.203 554 1HG LYS 64 2HG LYS 64 4.917 2.529 -3.392 555 2HG LYS 64 1HG LYS 64 5.179 4.237 -3.050 556 1HD LYS 64 2HD LYS 64 6.621 2.978 -1.583 557 2HD LYS 64 1HD LYS 64 5.321 3.646 -0.600 558 1HE LYS 64 2HE LYS 64 4.491 1.585 -0.095 559 2HE LYS 64 1HE LYS 64 4.715 0.987 -1.738 560 1HZ LYS 64 1HZ LYS 64 7.249 1.311 -0.826 561 2HZ LYS 64 2HZ LYS 64 6.403 -0.161 -0.894 562 3HZ LYS 64 3HZ LYS 64 6.430 0.740 0.546 563 H ALA 65 H ALA 65 1.361 5.290 -3.834 564 HA ALA 65 HA ALA 65 3.163 6.586 -5.711 565 1HB ALA 65 1HB ALA 65 0.142 6.642 -5.828 566 2HB ALA 65 2HB ALA 65 1.058 5.200 -6.264 567 3HB ALA 65 3HB ALA 65 1.285 6.695 -7.169 568 H ALA 66 H ALA 66 0.653 7.634 -3.423 569 HA ALA 66 HA ALA 66 0.531 10.370 -4.212 570 1HB ALA 66 1HB ALA 66 0.295 9.338 -1.374 571 2HB ALA 66 2HB ALA 66 -0.998 9.197 -2.565 572 3HB ALA 66 3HB ALA 66 -0.443 10.790 -2.050 573 H LYS 67 H LYS 67 2.531 8.841 -1.664 574 HA LYS 67 HA LYS 67 3.961 11.131 -0.870 575 1HB LYS 67 2HB LYS 67 4.040 8.735 0.096 576 2HB LYS 67 1HB LYS 67 5.268 8.423 -1.130 577 1HG LYS 67 2HG LYS 67 6.606 9.118 0.643 578 2HG LYS 67 1HG LYS 67 6.340 10.651 -0.184 579 1HD LYS 67 2HD LYS 67 5.788 11.258 1.988 580 2HD LYS 67 1HD LYS 67 4.204 10.756 1.397 581 1HE LYS 67 2HE LYS 67 4.494 9.672 3.510 582 2HE LYS 67 1HE LYS 67 4.751 8.428 2.287 583 1HZ LYS 67 1HZ LYS 67 6.476 8.317 3.935 584 2HZ LYS 67 2HZ LYS 67 6.857 9.958 3.716 585 3HZ LYS 67 3HZ LYS 67 7.147 8.841 2.469 586 H ALA 68 H ALA 68 4.547 8.954 -3.599 587 HA ALA 68 HA ALA 68 7.061 9.889 -4.436 588 1HB ALA 68 1HB ALA 68 6.487 9.087 -6.642 589 2HB ALA 68 2HB ALA 68 4.764 9.212 -6.292 590 3HB ALA 68 3HB ALA 68 5.744 7.999 -5.470 591 H ILE 69 H ILE 69 4.246 11.707 -4.087 592 HA ILE 69 HA ILE 69 4.242 13.471 -6.274 593 HB ILE 69 HB ILE 69 2.598 13.512 -4.381 594 1HG1 ILE 69 2HG1 ILE 69 2.419 16.014 -4.284 595 2HG1 ILE 69 1HG1 ILE 69 4.006 16.120 -5.043 596 1HG2 ILE 69 1HG2 ILE 69 3.158 14.563 -2.302 597 2HG2 ILE 69 2HG2 ILE 69 4.720 15.100 -2.919 598 3HG2 ILE 69 3HG2 ILE 69 4.431 13.386 -2.618 599 1HD1 ILE 69 1HD1 ILE 69 1.919 14.435 -6.377 600 2HD1 ILE 69 2HD1 ILE 69 3.229 15.373 -7.094 601 3HD1 ILE 69 3HD1 ILE 69 1.784 16.188 -6.503 602 H VAL 70 H VAL 70 6.520 13.223 -3.623 603 HA VAL 70 HA VAL 70 7.761 15.757 -3.773 604 HB VAL 70 HB VAL 70 9.816 14.559 -2.962 605 1HG1 VAL 70 1HG1 VAL 70 7.253 13.651 -1.618 606 2HG1 VAL 70 2HG1 VAL 70 7.942 15.264 -1.446 607 3HG1 VAL 70 3HG1 VAL 70 8.829 13.860 -0.854 608 1HG2 VAL 70 1HG2 VAL 70 9.474 12.491 -4.291 609 2HG2 VAL 70 2HG2 VAL 70 8.053 12.113 -3.319 610 3HG2 VAL 70 3HG2 VAL 70 9.650 12.132 -2.573 611 H ALA 71 H ALA 71 7.449 13.478 -6.217 612 HA ALA 71 HA ALA 71 10.013 13.851 -7.529 613 1HB ALA 71 1HB ALA 71 9.003 12.689 -9.404 614 2HB ALA 71 2HB ALA 71 7.384 12.974 -8.761 615 3HB ALA 71 3HB ALA 71 8.489 11.886 -7.919 616 H GLU 72 H GLU 72 8.884 14.390 -10.198 617 HA GLU 72 HA GLU 72 9.023 17.291 -10.102 618 1HB GLU 72 2HB GLU 72 9.825 15.721 -11.995 619 2HB GLU 72 1HB GLU 72 8.133 15.672 -12.490 620 1HG GLU 72 2HG GLU 72 8.110 18.142 -12.643 621 2HG GLU 72 1HG GLU 72 9.811 18.179 -12.176 622 H GLU 73 H GLU 73 6.893 16.575 -8.510 623 HA GLU 73 HA GLU 73 4.593 16.926 -8.192 624 1HB GLU 73 2HB GLU 73 5.164 18.836 -10.476 625 2HB GLU 73 1HB GLU 73 3.648 18.809 -9.574 626 1HG GLU 73 2HG GLU 73 4.868 19.248 -7.483 627 2HG GLU 73 1HG GLU 73 6.394 19.251 -8.366 628 H ARG 74 H ARG 74 4.389 17.563 -11.655 629 HA ARG 74 HA ARG 74 3.360 16.350 -13.381 630 1HB ARG 74 2HB ARG 74 4.780 14.451 -12.166 631 2HB ARG 74 1HB ARG 74 3.182 13.887 -11.676 632 1HG ARG 74 2HG ARG 74 3.433 12.773 -13.706 633 2HG ARG 74 1HG ARG 74 2.605 14.237 -14.233 634 1HD ARG 74 2HD ARG 74 4.393 14.113 -15.741 635 2HD ARG 74 1HD ARG 74 5.029 15.198 -14.505 636 HE ARG 74 HE ARG 74 6.547 13.496 -13.848 637 1HH1 ARG 74 1HH2 ARG 74 4.095 12.356 -15.989 638 2HH1 ARG 74 2HH2 ARG 74 4.851 10.820 -16.249 639 1HH2 ARG 74 1HH1 ARG 74 7.547 11.497 -14.176 640 2HH2 ARG 74 2HH1 ARG 74 6.805 10.333 -15.222 641 H LYS 75 H LYS 75 2.121 15.765 -10.103 642 HA LYS 75 HA LYS 75 -0.080 15.761 -9.294 643 1HB LYS 75 2HB LYS 75 0.052 18.004 -10.596 644 2HB LYS 75 1HB LYS 75 -0.885 17.173 -11.837 645 1HG LYS 75 2HG LYS 75 -2.552 16.559 -10.035 646 2HG LYS 75 1HG LYS 75 -1.671 17.636 -8.951 647 1HD LYS 75 2HD LYS 75 -2.059 19.522 -10.475 648 2HD LYS 75 1HD LYS 75 -2.904 18.454 -11.598 649 1HE LYS 75 2HE LYS 75 -4.647 18.023 -9.975 650 2HE LYS 75 1HE LYS 75 -3.763 18.901 -8.726 651 1HZ LYS 75 1HZ LYS 75 -5.507 20.260 -9.704 652 2HZ LYS 75 2HZ LYS 75 -4.817 20.070 -11.246 653 3HZ LYS 75 3HZ LYS 75 -3.978 20.915 -10.034 654 H ARG 76 H ARG 76 -2.185 14.720 -9.661 655 HA ARG 76 HA ARG 76 -3.364 12.814 -10.390 656 1HB ARG 76 2HB ARG 76 -2.585 13.962 -13.089 657 2HB ARG 76 1HB ARG 76 -3.926 12.861 -12.774 658 1HG ARG 76 2HG ARG 76 -4.734 14.667 -11.091 659 2HG ARG 76 1HG ARG 76 -3.628 15.744 -11.943 660 1HD ARG 76 2HD ARG 76 -5.979 14.232 -13.106 661 2HD ARG 76 1HD ARG 76 -5.777 15.981 -12.995 662 HE ARG 76 HE ARG 76 -3.605 14.969 -14.509 663 1HH1 ARG 76 1HH2 ARG 76 -7.040 15.252 -14.607 664 2HH1 ARG 76 2HH2 ARG 76 -7.115 15.343 -16.335 665 1HH2 ARG 76 1HH1 ARG 76 -3.684 15.087 -16.765 666 2HH2 ARG 76 2HH1 ARG 76 -5.216 15.249 -17.557 667 H ILE 77 H ILE 77 -1.846 11.219 -9.645 668 HA ILE 77 HA ILE 77 0.279 10.342 -11.493 669 HB ILE 77 HB ILE 77 -0.562 9.039 -8.896 670 1HG1 ILE 77 2HG1 ILE 77 1.396 11.314 -9.359 671 2HG1 ILE 77 1HG1 ILE 77 -0.140 11.431 -8.499 672 1HG2 ILE 77 1HG2 ILE 77 0.993 7.829 -10.467 673 2HG2 ILE 77 2HG2 ILE 77 1.711 8.195 -8.899 674 3HG2 ILE 77 3HG2 ILE 77 2.119 9.176 -10.306 675 1HD1 ILE 77 1HD1 ILE 77 0.713 9.664 -6.912 676 2HD1 ILE 77 2HD1 ILE 77 1.594 11.189 -6.842 677 3HD1 ILE 77 3HD1 ILE 77 2.285 9.809 -7.694 678 H THR 78 H THR 78 -0.284 9.015 -13.143 679 HA THR 78 HA THR 78 -2.698 7.336 -12.947 680 HB THR 78 HB THR 78 -1.701 6.644 -15.329 681 HG1 THR 78 1HG THR 78 0.221 7.972 -14.689 682 1HG2 THR 78 1HG2 THR 78 -3.027 9.256 -14.579 683 2HG2 THR 78 2HG2 THR 78 -3.798 7.776 -15.149 684 3HG2 THR 78 3HG2 THR 78 -2.815 8.739 -16.252 685 H VAL 79 H VAL 79 -2.643 5.216 -12.375 686 HA VAL 79 HA VAL 79 0.036 3.926 -12.081 687 HB VAL 79 HB VAL 79 -2.637 3.180 -10.859 688 1HG1 VAL 79 1HG1 VAL 79 -0.906 1.872 -9.345 689 2HG1 VAL 79 2HG1 VAL 79 0.114 1.977 -10.777 690 3HG1 VAL 79 3HG1 VAL 79 -1.451 1.175 -10.869 691 1HG2 VAL 79 1HG2 VAL 79 -0.242 4.726 -9.852 692 2HG2 VAL 79 2HG2 VAL 79 -1.358 3.930 -8.743 693 3HG2 VAL 79 3HG2 VAL 79 -1.941 5.198 -9.820 694 H THR 80 H THR 80 0.436 2.948 -14.048 695 HA THR 80 HA THR 80 -1.732 1.337 -15.302 696 HB THR 80 HB THR 80 1.019 1.694 -16.477 697 HG1 THR 80 1HG THR 80 0.658 3.719 -16.881 698 1HG2 THR 80 1HG2 THR 80 -0.864 0.224 -17.444 699 2HG2 THR 80 2HG2 THR 80 -0.103 1.377 -18.539 700 3HG2 THR 80 3HG2 THR 80 -1.677 1.740 -17.833 701 H GLU 81 H GLU 81 -1.090 -0.882 -16.081 702 HA GLU 81 HA GLU 81 -0.252 -2.582 -14.047 703 1HB GLU 81 2HB GLU 81 0.171 -4.267 -15.767 704 2HB GLU 81 1HB GLU 81 -1.261 -3.333 -16.201 705 1HG GLU 81 2HG GLU 81 0.251 -1.858 -17.604 706 2HG GLU 81 1HG GLU 81 1.536 -3.032 -17.320 707 H LYS 82 H LYS 82 1.748 -0.706 -16.245 708 HA LYS 82 HA LYS 82 4.227 -2.061 -15.573 709 1HB LYS 82 2HB LYS 82 3.801 -0.666 -17.662 710 2HB LYS 82 1HB LYS 82 3.922 0.760 -16.630 711 1HG LYS 82 2HG LYS 82 6.187 0.248 -16.035 712 2HG LYS 82 1HG LYS 82 6.085 -1.354 -16.763 713 1HD LYS 82 2HD LYS 82 5.551 1.037 -18.495 714 2HD LYS 82 1HD LYS 82 7.220 0.659 -18.075 715 1HE LYS 82 2HE LYS 82 7.144 -1.442 -19.136 716 2HE LYS 82 1HE LYS 82 5.381 -1.486 -19.130 717 1HZ LYS 82 1HZ LYS 82 6.739 0.672 -20.581 718 2HZ LYS 82 2HZ LYS 82 5.242 -0.069 -20.897 719 3HZ LYS 82 3HZ LYS 82 6.690 -0.871 -21.284 720 H ASN 83 H ASN 83 3.186 1.285 -14.848 721 HA ASN 83 HA ASN 83 5.021 1.999 -12.927 722 1HB ASN 83 2HB ASN 83 2.031 2.475 -12.727 723 2HB ASN 83 1HB ASN 83 3.282 3.404 -11.901 724 1HD2 ASN 83 1HD2 ASN 83 1.270 4.122 -14.160 725 2HD2 ASN 83 2HD2 ASN 83 2.248 4.848 -15.343 726 H LEU 84 H LEU 84 2.263 -0.173 -12.463 727 HA LEU 84 HA LEU 84 2.050 -0.493 -9.761 728 1HB LEU 84 2HB LEU 84 1.086 -1.931 -11.731 729 2HB LEU 84 1HB LEU 84 2.468 -2.977 -11.411 730 HG LEU 84 HG LEU 84 0.422 -2.119 -9.340 731 1HD1 LEU 84 1HD1 LEU 84 -0.096 -4.647 -9.456 732 2HD1 LEU 84 2HD1 LEU 84 0.750 -4.619 -11.002 733 3HD1 LEU 84 3HD1 LEU 84 -0.697 -3.637 -10.771 734 1HD2 LEU 84 1HD2 LEU 84 2.922 -3.801 -9.274 735 2HD2 LEU 84 2HD2 LEU 84 1.600 -4.148 -8.159 736 3HD2 LEU 84 3HD2 LEU 84 2.382 -2.570 -8.133 737 H GLN 85 H GLN 85 4.549 -2.257 -11.656 738 HA GLN 85 HA GLN 85 5.917 -3.288 -9.385 739 1HB GLN 85 2HB GLN 85 7.679 -3.858 -10.869 740 2HB GLN 85 1HB GLN 85 6.224 -3.916 -11.863 741 1HG GLN 85 2HG GLN 85 6.762 -1.431 -12.409 742 2HG GLN 85 1HG GLN 85 8.373 -1.802 -11.798 743 1HE2 GLN 85 1HE2 GLN 85 6.047 -3.684 -13.828 744 2HE2 GLN 85 2HE2 GLN 85 7.164 -3.998 -15.068 745 H ASP 86 H ASP 86 6.315 -0.225 -11.141 746 HA ASP 86 HA ASP 86 8.660 0.711 -9.894 747 1HB ASP 86 2HB ASP 86 6.248 2.404 -10.605 748 2HB ASP 86 1HB ASP 86 7.919 2.947 -10.473 749 H PHE 87 H PHE 87 5.303 0.796 -8.707 750 HA PHE 87 HA PHE 87 6.049 2.307 -6.316 751 1HB PHE 87 2HB PHE 87 3.535 0.730 -6.950 752 2HB PHE 87 1HB PHE 87 3.735 1.820 -5.581 753 HD1 PHE 87 1HD PHE 87 4.788 4.229 -6.351 754 HD2 PHE 87 2HD PHE 87 2.395 1.611 -8.776 755 HE1 PHE 87 1HE PHE 87 4.128 6.147 -7.774 756 HE2 PHE 87 2HE PHE 87 1.735 3.530 -10.195 757 HZ PHE 87 HZ PHE 87 2.602 5.799 -9.697 758 H ILE 88 H ILE 88 4.735 -0.983 -6.758 759 HA ILE 88 HA ILE 88 5.604 -1.822 -4.135 760 HB ILE 88 HB ILE 88 4.278 -3.043 -6.480 761 1HG1 ILE 88 2HG1 ILE 88 3.794 -3.490 -3.533 762 2HG1 ILE 88 1HG1 ILE 88 3.185 -2.066 -4.378 763 1HG2 ILE 88 1HG2 ILE 88 5.886 -4.757 -6.263 764 2HG2 ILE 88 2HG2 ILE 88 4.526 -5.320 -5.296 765 3HG2 ILE 88 3HG2 ILE 88 5.930 -4.606 -4.506 766 1HD1 ILE 88 1HD1 ILE 88 1.876 -3.418 -5.878 767 2HD1 ILE 88 2HD1 ILE 88 1.549 -3.997 -4.245 768 3HD1 ILE 88 3HD1 ILE 88 2.639 -4.898 -5.298 769 H GLY 89 H GLY 89 6.635 -2.975 -7.373 770 1HA GLY 89 2HA GLY 89 9.250 -2.681 -7.561 771 2HA GLY 89 1HA GLY 89 9.241 -3.758 -6.166 772 H LYS 90 H LYS 90 7.391 -5.633 -6.725 773 HA LYS 90 HA LYS 90 7.711 -6.593 -9.489 774 1HB LYS 90 2HB LYS 90 8.834 -8.655 -8.900 775 2HB LYS 90 1HB LYS 90 9.797 -7.316 -8.273 776 1HG LYS 90 2HG LYS 90 8.466 -7.628 -6.081 777 2HG LYS 90 1HG LYS 90 7.972 -9.181 -6.753 778 1HD LYS 90 2HD LYS 90 9.892 -9.821 -5.612 779 2HD LYS 90 1HD LYS 90 10.575 -9.456 -7.195 780 1HE LYS 90 2HE LYS 90 11.198 -7.208 -6.439 781 2HE LYS 90 1HE LYS 90 10.448 -7.508 -4.871 782 1HZ LYS 90 1HZ LYS 90 13.040 -8.141 -5.689 783 2HZ LYS 90 2HZ LYS 90 12.218 -9.606 -5.436 784 3HZ LYS 90 3HZ LYS 90 12.311 -8.453 -4.191 785 H ARG 91 H ARG 91 6.774 -9.067 -9.395 786 HA ARG 91 HA ARG 91 4.196 -8.850 -7.882 787 1HB ARG 91 2HB ARG 91 4.909 -10.042 -10.561 788 2HB ARG 91 1HB ARG 91 3.453 -10.550 -9.704 789 1HG ARG 91 2HG ARG 91 2.403 -8.518 -9.990 790 2HG ARG 91 1HG ARG 91 3.915 -7.610 -9.945 791 1HD ARG 91 2HD ARG 91 3.339 -9.452 -12.255 792 2HD ARG 91 1HD ARG 91 2.640 -7.833 -12.218 793 HE ARG 91 HE ARG 91 5.484 -7.760 -11.686 794 1HH1 ARG 91 1HH2 ARG 91 3.055 -8.080 -14.112 795 2HH1 ARG 91 2HH2 ARG 91 4.043 -7.426 -15.375 796 1HH2 ARG 91 1HH1 ARG 91 6.787 -6.905 -13.321 797 2HH2 ARG 91 2HH1 ARG 91 6.157 -6.762 -14.928 798 H ILE 92 H ILE 92 3.239 -11.240 -7.648 799 HA ILE 92 HA ILE 92 5.363 -12.800 -6.263 800 HB ILE 92 HB ILE 92 2.400 -13.372 -6.156 801 1HG1 ILE 92 2HG1 ILE 92 2.868 -10.932 -5.623 802 2HG1 ILE 92 1HG1 ILE 92 2.143 -11.854 -4.310 803 1HG2 ILE 92 1HG2 ILE 92 4.738 -13.854 -4.290 804 2HG2 ILE 92 2HG2 ILE 92 3.845 -15.065 -5.205 805 3HG2 ILE 92 3HG2 ILE 92 3.058 -14.203 -3.884 806 1HD1 ILE 92 1HD1 ILE 92 4.296 -12.111 -3.220 807 2HD1 ILE 92 2HD1 ILE 92 4.047 -10.402 -3.571 808 3HD1 ILE 92 3HD1 ILE 92 5.121 -11.361 -4.587 809 H PHE 93 H PHE 93 2.367 -13.893 -7.869 810 HA PHE 93 HA PHE 93 3.803 -16.215 -8.937 811 1HB PHE 93 2HB PHE 93 1.000 -15.517 -9.754 812 2HB PHE 93 1HB PHE 93 1.706 -17.099 -9.424 813 HD1 PHE 93 1HD PHE 93 3.024 -16.575 -6.796 814 HD2 PHE 93 2HD PHE 93 -0.842 -15.417 -8.270 815 HE1 PHE 93 1HE PHE 93 2.169 -16.470 -4.471 816 HE2 PHE 93 2HE PHE 93 -1.695 -15.313 -5.945 817 HZ PHE 93 HZ PHE 93 -0.188 -15.835 -4.045 818 H ARG 94 H ARG 94 4.882 -16.137 -10.835 819 HA ARG 94 HA ARG 94 4.079 -14.073 -12.848 820 1HB ARG 94 2HB ARG 94 6.443 -14.048 -11.900 821 2HB ARG 94 1HB ARG 94 6.699 -15.584 -12.727 822 1HG ARG 94 2HG ARG 94 5.859 -14.375 -14.848 823 2HG ARG 94 1HG ARG 94 6.113 -12.883 -13.941 824 1HD ARG 94 2HD ARG 94 8.232 -15.003 -14.404 825 2HD ARG 94 1HD ARG 94 8.096 -13.500 -15.316 826 HE ARG 94 HE ARG 94 8.254 -13.074 -12.434 827 1HH1 ARG 94 1HH2 ARG 94 9.950 -13.602 -15.389 828 2HH1 ARG 94 2HH2 ARG 94 11.404 -12.834 -14.847 829 1HH2 ARG 94 1HH1 ARG 94 10.144 -12.068 -11.708 830 2HH2 ARG 94 2HH1 ARG 94 11.516 -11.967 -12.762 831 H TYR 95 H TYR 95 2.341 -15.648 -13.493 832 HA TYR 95 HA TYR 95 1.534 -17.187 -15.069 833 1HB TYR 95 2HB TYR 95 3.546 -16.016 -16.357 834 2HB TYR 95 1HB TYR 95 4.293 -17.602 -16.173 835 HD1 TYR 95 1HD TYR 95 3.749 -19.339 -17.664 836 HD2 TYR 95 2HD TYR 95 1.124 -15.957 -17.302 837 HE1 TYR 95 1HE TYR 95 2.387 -20.193 -19.552 838 HE2 TYR 95 2HE TYR 95 -0.238 -16.812 -19.190 839 HH TYR 95 HH TYR 95 0.156 -19.986 -20.451 Start of MODEL 16 1 H ALA 1 H ALA 1 -16.149 -13.599 7.093 2 HA ALA 1 HA ALA 1 -14.375 -15.127 6.320 3 1HB ALA 1 1HB ALA 1 -14.085 -16.335 8.369 4 2HB ALA 1 2HB ALA 1 -14.564 -17.526 7.160 5 3HB ALA 1 3HB ALA 1 -15.744 -16.931 8.328 6 H GLY 2 H GLY 2 -16.403 -14.294 4.846 7 1HA GLY 2 2HA GLY 2 -17.151 -16.650 3.297 8 2HA GLY 2 1HA GLY 2 -18.529 -15.876 4.082 9 H TYR 3 H TYR 3 -15.605 -14.603 2.451 10 HA TYR 3 HA TYR 3 -17.239 -12.524 1.165 11 1HB TYR 3 2HB TYR 3 -14.288 -13.183 1.155 12 2HB TYR 3 1HB TYR 3 -14.971 -11.930 0.121 13 HD1 TYR 3 1HD TYR 3 -13.587 -12.595 3.306 14 HD2 TYR 3 2HD TYR 3 -16.577 -10.214 1.346 15 HE1 TYR 3 1HE TYR 3 -13.565 -11.002 5.205 16 HE2 TYR 3 2HE TYR 3 -16.556 -8.623 3.245 17 HH TYR 3 HH TYR 3 -14.560 -9.229 6.128 18 H THR 4 H THR 4 -18.502 -13.376 -0.470 19 HA THR 4 HA THR 4 -17.580 -15.499 -2.217 20 HB THR 4 HB THR 4 -19.675 -15.321 -3.272 21 HG1 THR 4 1HG THR 4 -20.391 -12.848 -2.329 22 1HG2 THR 4 1HG2 THR 4 -19.803 -15.757 -0.784 23 2HG2 THR 4 2HG2 THR 4 -21.280 -15.103 -1.494 24 3HG2 THR 4 3HG2 THR 4 -20.202 -14.051 -0.575 25 H GLU 5 H GLU 5 -16.906 -15.298 -4.407 26 HA GLU 5 HA GLU 5 -15.136 -13.259 -5.082 27 1HB GLU 5 2HB GLU 5 -15.325 -14.002 -7.390 28 2HB GLU 5 1HB GLU 5 -15.431 -15.411 -6.334 29 1HG GLU 5 2HG GLU 5 -17.984 -15.076 -6.433 30 2HG GLU 5 1HG GLU 5 -17.666 -14.002 -7.797 31 H ILE 6 H ILE 6 -18.632 -13.389 -5.738 32 HA ILE 6 HA ILE 6 -18.796 -11.010 -7.294 33 HB ILE 6 HB ILE 6 -20.890 -12.050 -5.364 34 1HG1 ILE 6 2HG1 ILE 6 -20.369 -12.820 -8.254 35 2HG1 ILE 6 1HG1 ILE 6 -20.035 -13.843 -6.856 36 1HG2 ILE 6 1HG2 ILE 6 -21.138 -10.524 -7.974 37 2HG2 ILE 6 2HG2 ILE 6 -21.269 -9.794 -6.375 38 3HG2 ILE 6 3HG2 ILE 6 -22.459 -10.985 -6.899 39 1HD1 ILE 6 1HD1 ILE 6 -22.746 -12.816 -7.739 40 2HD1 ILE 6 2HD1 ILE 6 -22.459 -13.690 -6.235 41 3HD1 ILE 6 3HD1 ILE 6 -22.185 -14.487 -7.785 42 H GLU 7 H GLU 7 -19.405 -11.438 -3.783 43 HA GLU 7 HA GLU 7 -19.820 -8.749 -3.116 44 1HB GLU 7 2HB GLU 7 -18.454 -10.964 -1.569 45 2HB GLU 7 1HB GLU 7 -18.801 -9.384 -0.866 46 1HG GLU 7 2HG GLU 7 -21.165 -9.666 -1.189 47 2HG GLU 7 1HG GLU 7 -20.918 -11.108 -2.174 48 H LYS 8 H LYS 8 -16.673 -10.464 -2.980 49 HA LYS 8 HA LYS 8 -15.045 -8.259 -2.388 50 1HB LYS 8 2HB LYS 8 -14.391 -10.552 -4.266 51 2HB LYS 8 1HB LYS 8 -13.216 -9.502 -3.473 52 1HG LYS 8 2HG LYS 8 -14.133 -10.240 -1.258 53 2HG LYS 8 1HG LYS 8 -15.167 -11.382 -2.115 54 1HD LYS 8 2HD LYS 8 -13.334 -12.732 -1.610 55 2HD LYS 8 1HD LYS 8 -12.903 -12.163 -3.222 56 1HE LYS 8 2HE LYS 8 -11.485 -10.420 -2.273 57 2HE LYS 8 1HE LYS 8 -11.992 -10.854 -0.641 58 1HZ LYS 8 1HZ LYS 8 -9.909 -11.879 -1.048 59 2HZ LYS 8 2HZ LYS 8 -10.427 -12.510 -2.538 60 3HZ LYS 8 3HZ LYS 8 -11.078 -13.107 -1.088 61 H LEU 9 H LEU 9 -16.289 -9.289 -5.563 62 HA LEU 9 HA LEU 9 -14.815 -7.329 -7.061 63 1HB LEU 9 2HB LEU 9 -17.292 -8.963 -7.588 64 2HB LEU 9 1HB LEU 9 -16.795 -7.715 -8.731 65 HG LEU 9 HG LEU 9 -14.749 -9.697 -7.776 66 1HD1 LEU 9 1HD1 LEU 9 -16.456 -11.222 -8.414 67 2HD1 LEU 9 2HD1 LEU 9 -15.429 -11.074 -9.841 68 3HD1 LEU 9 3HD1 LEU 9 -16.965 -10.210 -9.766 69 1HD2 LEU 9 1HD2 LEU 9 -13.764 -9.243 -9.936 70 2HD2 LEU 9 2HD2 LEU 9 -14.222 -7.692 -9.235 71 3HD2 LEU 9 3HD2 LEU 9 -15.225 -8.422 -10.487 72 H GLU 10 H GLU 10 -18.064 -7.315 -5.612 73 HA GLU 10 HA GLU 10 -18.916 -4.797 -6.604 74 1HB GLU 10 2HB GLU 10 -20.312 -6.500 -5.337 75 2HB GLU 10 1HB GLU 10 -19.560 -5.900 -3.858 76 1HG GLU 10 2HG GLU 10 -20.342 -3.591 -4.480 77 2HG GLU 10 1HG GLU 10 -21.235 -4.311 -5.820 78 H ILE 11 H ILE 11 -17.286 -5.548 -3.500 79 HA ILE 11 HA ILE 11 -16.985 -2.732 -2.848 80 HB ILE 11 HB ILE 11 -15.216 -3.863 -1.189 81 1HG1 ILE 11 2HG1 ILE 11 -17.064 -6.196 -1.483 82 2HG1 ILE 11 1HG1 ILE 11 -15.735 -6.067 -2.632 83 1HG2 ILE 11 1HG2 ILE 11 -17.171 -2.804 -0.337 84 2HG2 ILE 11 2HG2 ILE 11 -17.230 -4.453 0.283 85 3HG2 ILE 11 3HG2 ILE 11 -18.235 -3.992 -1.091 86 1HD1 ILE 11 1HD1 ILE 11 -14.107 -6.304 -0.997 87 2HD1 ILE 11 2HD1 ILE 11 -15.388 -7.313 -0.323 88 3HD1 ILE 11 3HD1 ILE 11 -15.148 -5.675 0.280 89 H VAL 12 H VAL 12 -14.442 -5.197 -3.424 90 HA VAL 12 HA VAL 12 -12.238 -3.605 -3.700 91 HB VAL 12 HB VAL 12 -12.975 -5.838 -5.611 92 1HG1 VAL 12 1HG1 VAL 12 -10.427 -6.062 -5.664 93 2HG1 VAL 12 2HG1 VAL 12 -10.372 -4.463 -4.922 94 3HG1 VAL 12 3HG1 VAL 12 -11.102 -4.673 -6.515 95 1HG2 VAL 12 1HG2 VAL 12 -12.985 -6.244 -3.039 96 2HG2 VAL 12 2HG2 VAL 12 -11.237 -6.047 -3.150 97 3HG2 VAL 12 3HG2 VAL 12 -12.037 -7.339 -4.044 98 H LYS 13 H LYS 13 -14.783 -3.944 -6.162 99 HA LYS 13 HA LYS 13 -13.321 -2.211 -7.995 100 1HB LYS 13 2HB LYS 13 -14.816 -4.033 -8.794 101 2HB LYS 13 1HB LYS 13 -16.195 -3.149 -8.144 102 1HG LYS 13 2HG LYS 13 -14.480 -1.481 -9.859 103 2HG LYS 13 1HG LYS 13 -15.162 -2.863 -10.713 104 1HD LYS 13 2HD LYS 13 -16.908 -1.128 -8.969 105 2HD LYS 13 1HD LYS 13 -16.545 -0.661 -10.631 106 1HE LYS 13 2HE LYS 13 -17.610 -2.563 -11.529 107 2HE LYS 13 1HE LYS 13 -17.558 -3.430 -9.994 108 1HZ LYS 13 1HZ LYS 13 -19.207 -1.039 -10.611 109 2HZ LYS 13 2HZ LYS 13 -19.111 -1.784 -9.088 110 3HZ LYS 13 3HZ LYS 13 -19.772 -2.626 -10.408 111 H ASP 14 H ASP 14 -16.128 -1.809 -5.838 112 HA ASP 14 HA ASP 14 -16.582 0.925 -6.762 113 1HB ASP 14 2HB ASP 14 -17.717 -0.632 -4.429 114 2HB ASP 14 1HB ASP 14 -18.255 0.979 -4.907 115 H HIS 15 H HIS 15 -15.196 -0.494 -3.789 116 HA HIS 15 HA HIS 15 -14.878 2.008 -2.446 117 1HB HIS 15 2HB HIS 15 -13.854 0.806 -0.754 118 2HB HIS 15 1HB HIS 15 -14.767 -0.466 -1.562 119 HD1 HIS 15 1HD HIS 15 -11.642 -0.161 -0.125 120 HD2 HIS 15 2HD HIS 15 -12.808 -1.356 -3.948 121 HE1 HIS 15 1HE HIS 15 -9.716 -1.508 -1.076 122 HE2 HIS 15 2HE HIS 15 -10.418 -2.243 -3.399 123 H LEU 16 H LEU 16 -12.606 0.194 -4.518 124 HA LEU 16 HA LEU 16 -10.209 1.389 -4.035 125 1HB LEU 16 2HB LEU 16 -9.758 1.371 -6.526 126 2HB LEU 16 1HB LEU 16 -10.336 -0.146 -5.848 127 HG LEU 16 HG LEU 16 -12.694 0.655 -6.528 128 1HD1 LEU 16 1HD1 LEU 16 -11.085 2.881 -7.491 129 2HD1 LEU 16 2HD1 LEU 16 -12.839 2.717 -7.437 130 3HD1 LEU 16 3HD1 LEU 16 -11.942 2.113 -8.824 131 1HD2 LEU 16 1HD2 LEU 16 -12.418 -0.278 -8.757 132 2HD2 LEU 16 2HD2 LEU 16 -11.346 -1.141 -7.655 133 3HD2 LEU 16 3HD2 LEU 16 -10.694 0.089 -8.735 134 H LEU 17 H LEU 17 -12.890 3.058 -5.682 135 HA LEU 17 HA LEU 17 -11.289 5.364 -6.334 136 1HB LEU 17 2HB LEU 17 -14.136 4.607 -6.507 137 2HB LEU 17 1HB LEU 17 -13.854 6.337 -6.296 138 HG LEU 17 HG LEU 17 -12.268 4.791 -8.339 139 1HD1 LEU 17 1HD1 LEU 17 -15.081 5.871 -8.620 140 2HD1 LEU 17 2HD1 LEU 17 -14.527 4.227 -8.931 141 3HD1 LEU 17 3HD1 LEU 17 -14.035 5.540 -10.001 142 1HD2 LEU 17 1HD2 LEU 17 -11.973 6.935 -9.334 143 2HD2 LEU 17 2HD2 LEU 17 -11.802 7.216 -7.602 144 3HD2 LEU 17 3HD2 LEU 17 -13.309 7.630 -8.418 145 HA PRO 18 HA PRO 18 -13.313 7.678 -2.650 146 1HB PRO 18 2HB PRO 18 -14.796 6.189 -0.861 147 2HB PRO 18 1HB PRO 18 -15.488 7.054 -2.248 148 1HG PRO 18 2HG PRO 18 -14.760 4.174 -1.989 149 2HG PRO 18 1HG PRO 18 -16.200 4.909 -2.718 150 1HD PRO 18 2HD PRO 18 -14.166 4.016 -4.253 151 2HD PRO 18 1HD PRO 18 -15.082 5.480 -4.683 152 H LYS 19 H LYS 19 -12.671 4.295 -1.653 153 HA LYS 19 HA LYS 19 -11.552 4.735 0.853 154 1HB LYS 19 2HB LYS 19 -11.872 2.516 -0.427 155 2HB LYS 19 1HB LYS 19 -10.275 2.827 -1.106 156 1HG LYS 19 2HG LYS 19 -9.669 1.610 0.771 157 2HG LYS 19 1HG LYS 19 -9.646 3.237 1.451 158 1HD LYS 19 2HD LYS 19 -12.029 2.899 2.177 159 2HD LYS 19 1HD LYS 19 -11.906 1.224 1.635 160 1HE LYS 19 2HE LYS 19 -10.001 2.454 3.639 161 2HE LYS 19 1HE LYS 19 -11.460 1.582 4.107 162 1HZ LYS 19 1HZ LYS 19 -10.349 -0.114 2.360 163 2HZ LYS 19 2HZ LYS 19 -10.116 -0.189 4.041 164 3HZ LYS 19 3HZ LYS 19 -8.963 0.575 3.054 165 H GLN 20 H GLN 20 -9.775 4.841 -2.254 166 HA GLN 20 HA GLN 20 -7.343 5.766 -0.928 167 1HB GLN 20 2HB GLN 20 -8.118 5.483 -3.839 168 2HB GLN 20 1HB GLN 20 -6.525 6.017 -3.302 169 1HG GLN 20 2HG GLN 20 -5.990 3.941 -2.372 170 2HG GLN 20 1HG GLN 20 -7.681 3.474 -2.190 171 1HE2 GLN 20 1HE2 GLN 20 -7.777 1.596 -3.490 172 2HE2 GLN 20 2HE2 GLN 20 -7.364 1.565 -5.136 173 H ILE 21 H ILE 21 -9.662 7.275 -3.210 174 HA ILE 21 HA ILE 21 -8.482 9.785 -3.411 175 HB ILE 21 HB ILE 21 -10.798 8.770 -4.341 176 1HG1 ILE 21 2HG1 ILE 21 -11.323 11.113 -5.107 177 2HG1 ILE 21 1HG1 ILE 21 -10.065 11.693 -4.017 178 1HG2 ILE 21 1HG2 ILE 21 -11.815 9.157 -2.014 179 2HG2 ILE 21 2HG2 ILE 21 -12.720 9.791 -3.388 180 3HG2 ILE 21 3HG2 ILE 21 -11.747 10.877 -2.395 181 1HD1 ILE 21 1HD1 ILE 21 -8.421 11.098 -5.449 182 2HD1 ILE 21 2HD1 ILE 21 -9.688 10.876 -6.654 183 3HD1 ILE 21 3HD1 ILE 21 -9.120 9.500 -5.710 184 H LYS 22 H LYS 22 -10.473 8.609 -0.696 185 HA LYS 22 HA LYS 22 -10.641 11.168 0.590 186 1HB LYS 22 2HB LYS 22 -11.955 8.948 1.056 187 2HB LYS 22 1HB LYS 22 -10.622 8.598 2.153 188 1HG LYS 22 2HG LYS 22 -11.010 10.736 3.319 189 2HG LYS 22 1HG LYS 22 -12.333 11.102 2.211 190 1HD LYS 22 2HD LYS 22 -13.273 8.777 2.993 191 2HD LYS 22 1HD LYS 22 -12.199 9.016 4.374 192 1HE LYS 22 2HE LYS 22 -14.591 10.630 3.534 193 2HE LYS 22 1HE LYS 22 -14.165 10.024 5.134 194 1HZ LYS 22 1HZ LYS 22 -13.774 12.542 4.322 195 2HZ LYS 22 2HZ LYS 22 -12.256 11.861 3.975 196 3HZ LYS 22 3HZ LYS 22 -12.881 11.792 5.553 197 H GLU 23 H GLU 23 -8.884 8.472 2.105 198 HA GLU 23 HA GLU 23 -7.159 9.940 3.682 199 1HB GLU 23 2HB GLU 23 -6.548 7.410 2.126 200 2HB GLU 23 1HB GLU 23 -5.508 8.053 3.399 201 1HG GLU 23 2HG GLU 23 -8.442 7.440 3.827 202 2HG GLU 23 1HG GLU 23 -7.161 6.271 4.150 203 H HIS 24 H HIS 24 -6.819 9.250 0.240 204 HA HIS 24 HA HIS 24 -4.250 10.642 0.044 205 1HB HIS 24 2HB HIS 24 -6.097 9.815 -2.211 206 2HB HIS 24 1HB HIS 24 -4.362 10.118 -2.301 207 HD1 HIS 24 1HD HIS 24 -5.989 8.121 0.471 208 HD2 HIS 24 2HD HIS 24 -3.597 7.459 -2.877 209 HE1 HIS 24 1HE HIS 24 -5.221 5.711 0.603 210 HE2 HIS 24 2HE HIS 24 -3.767 5.300 -1.431 211 H GLY 25 H GLY 25 -7.641 11.302 -0.691 212 1HA GLY 25 2HA GLY 25 -7.593 13.642 -2.135 213 2HA GLY 25 1HA GLY 25 -8.734 13.394 -0.814 214 H LEU 26 H LEU 26 -6.790 13.296 1.304 215 HA LEU 26 HA LEU 26 -6.675 15.862 2.250 216 1HB LEU 26 2HB LEU 26 -5.228 13.435 2.782 217 2HB LEU 26 1HB LEU 26 -4.085 14.775 2.830 218 HG LEU 26 HG LEU 26 -6.735 14.875 4.287 219 1HD1 LEU 26 1HD1 LEU 26 -5.448 12.928 5.097 220 2HD1 LEU 26 2HD1 LEU 26 -5.500 14.205 6.312 221 3HD1 LEU 26 3HD1 LEU 26 -4.044 13.964 5.349 222 1HD2 LEU 26 1HD2 LEU 26 -4.134 16.295 4.896 223 2HD2 LEU 26 2HD2 LEU 26 -5.756 16.707 5.453 224 3HD2 LEU 26 3HD2 LEU 26 -5.313 16.960 3.765 225 H LYS 27 H LYS 27 -4.416 14.470 -0.113 226 HA LYS 27 HA LYS 27 -3.145 17.147 -0.446 227 1HB LYS 27 2HB LYS 27 -2.376 14.340 -1.252 228 2HB LYS 27 1HB LYS 27 -1.633 15.737 -2.035 229 1HG LYS 27 2HG LYS 27 -0.836 16.577 0.101 230 2HG LYS 27 1HG LYS 27 -1.696 15.301 0.964 231 1HD LYS 27 2HD LYS 27 -0.267 13.607 0.105 232 2HD LYS 27 1HD LYS 27 0.390 14.681 -1.131 233 1HE LYS 27 2HE LYS 27 1.942 14.321 0.812 234 2HE LYS 27 1HE LYS 27 1.526 16.013 0.544 235 1HZ LYS 27 1HZ LYS 27 -0.430 15.225 2.194 236 2HZ LYS 27 2HZ LYS 27 1.010 15.965 2.708 237 3HZ LYS 27 3HZ LYS 27 0.857 14.273 2.755 238 H LYS 28 H LYS 28 -2.758 17.753 -2.828 239 HA LYS 28 HA LYS 28 -5.141 18.143 -4.209 240 1HB LYS 28 2HB LYS 28 -3.748 18.437 -6.255 241 2HB LYS 28 1HB LYS 28 -3.070 19.272 -4.856 242 1HG LYS 28 2HG LYS 28 -1.579 17.318 -4.452 243 2HG LYS 28 1HG LYS 28 -2.204 16.565 -5.918 244 1HD LYS 28 2HD LYS 28 -1.125 19.359 -6.110 245 2HD LYS 28 1HD LYS 28 0.024 18.030 -5.970 246 1HE LYS 28 2HE LYS 28 -0.355 18.429 -8.322 247 2HE LYS 28 1HE LYS 28 -1.147 16.911 -7.903 248 1HZ LYS 28 1HZ LYS 28 -2.755 19.311 -7.609 249 2HZ LYS 28 2HZ LYS 28 -3.182 17.781 -8.214 250 3HZ LYS 28 3HZ LYS 28 -2.354 18.888 -9.202 251 H SER 29 H SER 29 -6.078 17.067 -6.094 252 HA SER 29 HA SER 29 -6.593 14.351 -5.856 253 1HB SER 29 2HB SER 29 -7.263 14.378 -8.217 254 2HB SER 29 1HB SER 29 -7.775 15.868 -7.430 255 HG SER 29 HG SER 29 -5.746 16.764 -8.243 256 H ASN 30 H ASN 30 -4.741 13.131 -5.353 257 HA ASN 30 HA ASN 30 -2.678 12.916 -7.512 258 1HB ASN 30 2HB ASN 30 -2.047 13.672 -5.107 259 2HB ASN 30 1HB ASN 30 -2.297 11.981 -4.671 260 1HD2 ASN 30 1HD2 ASN 30 -0.661 13.777 -7.357 261 2HD2 ASN 30 2HD2 ASN 30 0.733 12.810 -7.341 262 H LEU 31 H LEU 31 -4.840 11.455 -8.146 263 HA LEU 31 HA LEU 31 -3.859 8.713 -7.873 264 1HB LEU 31 2HB LEU 31 -5.221 9.150 -5.772 265 2HB LEU 31 1HB LEU 31 -6.628 9.322 -6.820 266 HG LEU 31 HG LEU 31 -5.863 7.003 -7.788 267 1HD1 LEU 31 1HD1 LEU 31 -4.481 7.110 -5.093 268 2HD1 LEU 31 2HD1 LEU 31 -3.743 6.784 -6.660 269 3HD1 LEU 31 3HD1 LEU 31 -4.837 5.606 -5.940 270 1HD2 LEU 31 1HD2 LEU 31 -7.148 5.866 -5.924 271 2HD2 LEU 31 2HD2 LEU 31 -7.962 7.261 -6.631 272 3HD2 LEU 31 3HD2 LEU 31 -7.149 7.410 -5.073 273 H GLN 32 H GLN 32 -4.069 7.982 -9.941 274 HA GLN 32 HA GLN 32 -6.685 8.325 -11.295 275 1HB GLN 32 2HB GLN 32 -5.432 10.176 -12.198 276 2HB GLN 32 1HB GLN 32 -4.013 9.164 -12.449 277 1HG GLN 32 2HG GLN 32 -5.355 9.609 -14.541 278 2HG GLN 32 1HG GLN 32 -5.137 7.899 -14.178 279 1HE2 GLN 32 1HE2 GLN 32 -7.068 6.870 -14.734 280 2HE2 GLN 32 2HE2 GLN 32 -8.617 7.421 -14.313 281 H LEU 33 H LEU 33 -6.976 6.077 -10.943 282 HA LEU 33 HA LEU 33 -5.263 4.352 -12.681 283 1HB LEU 33 2HB LEU 33 -5.199 2.628 -10.994 284 2HB LEU 33 1HB LEU 33 -4.653 4.127 -10.244 285 HG LEU 33 HG LEU 33 -7.371 4.265 -9.814 286 1HD1 LEU 33 1HD1 LEU 33 -6.522 1.362 -9.566 287 2HD1 LEU 33 2HD1 LEU 33 -7.754 1.996 -10.655 288 3HD1 LEU 33 3HD1 LEU 33 -8.015 2.034 -8.912 289 1HD2 LEU 33 1HD2 LEU 33 -5.277 2.965 -8.040 290 2HD2 LEU 33 2HD2 LEU 33 -6.820 3.616 -7.488 291 3HD2 LEU 33 3HD2 LEU 33 -5.596 4.696 -8.157 292 H ARG 34 H ARG 34 -6.366 2.447 -13.471 293 HA ARG 34 HA ARG 34 -9.322 2.823 -13.599 294 1HB ARG 34 2HB ARG 34 -7.396 1.248 -15.332 295 2HB ARG 34 1HB ARG 34 -9.147 1.226 -15.539 296 1HG ARG 34 2HG ARG 34 -9.108 3.703 -15.830 297 2HG ARG 34 1HG ARG 34 -7.347 3.659 -15.733 298 1HD ARG 34 2HD ARG 34 -7.189 2.318 -17.722 299 2HD ARG 34 1HD ARG 34 -8.933 2.054 -17.751 300 HE ARG 34 HE ARG 34 -8.355 4.870 -17.876 301 1HH1 ARG 34 1HH2 ARG 34 -8.281 1.918 -19.654 302 2HH1 ARG 34 2HH2 ARG 34 -8.481 2.684 -21.194 303 1HH2 ARG 34 1HH1 ARG 34 -8.616 5.889 -19.876 304 2HH2 ARG 34 2HH1 ARG 34 -8.671 4.934 -21.320 305 H ASP 35 H ASP 35 -10.690 0.915 -13.350 306 HA ASP 35 HA ASP 35 -10.181 -0.662 -11.095 307 1HB ASP 35 2HB ASP 35 -11.902 -2.250 -12.077 308 2HB ASP 35 1HB ASP 35 -12.414 -0.565 -11.985 309 H GLN 36 H GLN 36 -9.413 -1.353 -14.492 310 HA GLN 36 HA GLN 36 -8.587 -4.016 -14.327 311 1HB GLN 36 2HB GLN 36 -8.583 -2.796 -16.442 312 2HB GLN 36 1HB GLN 36 -7.286 -1.748 -15.866 313 1HG GLN 36 2HG GLN 36 -5.734 -3.594 -15.772 314 2HG GLN 36 1HG GLN 36 -7.020 -4.757 -16.093 315 1HE2 GLN 36 1HE2 GLN 36 -7.616 -1.995 -17.937 316 2HE2 GLN 36 2HE2 GLN 36 -6.900 -2.497 -19.391 317 H ALA 37 H ALA 37 -6.700 -1.106 -13.493 318 HA ALA 37 HA ALA 37 -4.221 -2.234 -12.933 319 1HB ALA 37 1HB ALA 37 -4.782 0.191 -12.719 320 2HB ALA 37 2HB ALA 37 -3.875 -0.426 -11.337 321 3HB ALA 37 3HB ALA 37 -5.614 -0.169 -11.206 322 H ILE 38 H ILE 38 -6.290 -1.466 -10.152 323 HA ILE 38 HA ILE 38 -5.172 -3.215 -8.326 324 HB ILE 38 HB ILE 38 -8.090 -2.466 -8.648 325 1HG1 ILE 38 2HG1 ILE 38 -5.986 -1.434 -6.726 326 2HG1 ILE 38 1HG1 ILE 38 -6.354 -0.656 -8.265 327 1HG2 ILE 38 1HG2 ILE 38 -6.617 -3.919 -6.444 328 2HG2 ILE 38 2HG2 ILE 38 -8.095 -4.411 -7.271 329 3HG2 ILE 38 3HG2 ILE 38 -8.124 -3.052 -6.147 330 1HD1 ILE 38 1HD1 ILE 38 -8.738 -0.462 -7.547 331 2HD1 ILE 38 2HD1 ILE 38 -7.633 0.431 -6.501 332 3HD1 ILE 38 3HD1 ILE 38 -8.283 -1.123 -5.978 333 H LEU 39 H LEU 39 -7.755 -4.014 -10.659 334 HA LEU 39 HA LEU 39 -8.331 -6.628 -9.882 335 1HB LEU 39 2HB LEU 39 -8.611 -5.045 -12.275 336 2HB LEU 39 1HB LEU 39 -8.113 -6.673 -12.726 337 HG LEU 39 HG LEU 39 -10.368 -6.185 -10.771 338 1HD1 LEU 39 1HD1 LEU 39 -10.482 -6.399 -13.794 339 2HD1 LEU 39 2HD1 LEU 39 -11.002 -5.030 -12.811 340 3HD1 LEU 39 3HD1 LEU 39 -11.886 -6.554 -12.738 341 1HD2 LEU 39 1HD2 LEU 39 -10.940 -8.454 -11.249 342 2HD2 LEU 39 2HD2 LEU 39 -9.188 -8.451 -11.042 343 3HD2 LEU 39 3HD2 LEU 39 -9.884 -8.499 -12.661 344 H ASP 40 H ASP 40 -5.748 -5.651 -12.137 345 HA ASP 40 HA ASP 40 -4.613 -8.264 -12.395 346 1HB ASP 40 2HB ASP 40 -3.320 -5.540 -12.717 347 2HB ASP 40 1HB ASP 40 -2.613 -7.063 -13.256 348 H ILE 41 H ILE 41 -3.910 -5.592 -10.156 349 HA ILE 41 HA ILE 41 -1.578 -6.582 -8.950 350 HB ILE 41 HB ILE 41 -3.909 -5.056 -7.776 351 1HG1 ILE 41 2HG1 ILE 41 -1.076 -4.180 -8.393 352 2HG1 ILE 41 1HG1 ILE 41 -2.395 -4.040 -9.554 353 1HG2 ILE 41 1HG2 ILE 41 -2.191 -4.507 -5.942 354 2HG2 ILE 41 2HG2 ILE 41 -1.311 -5.926 -6.505 355 3HG2 ILE 41 3HG2 ILE 41 -2.946 -6.099 -5.869 356 1HD1 ILE 41 1HD1 ILE 41 -1.720 -2.220 -7.492 357 2HD1 ILE 41 2HD1 ILE 41 -3.242 -2.968 -7.008 358 3HD1 ILE 41 3HD1 ILE 41 -3.114 -2.150 -8.566 359 H ILE 42 H ILE 42 -4.689 -6.886 -7.239 360 HA ILE 42 HA ILE 42 -3.976 -8.897 -5.485 361 HB ILE 42 HB ILE 42 -6.320 -9.349 -5.218 362 1HG1 ILE 42 2HG1 ILE 42 -6.535 -8.220 -8.019 363 2HG1 ILE 42 1HG1 ILE 42 -7.031 -9.816 -7.455 364 1HG2 ILE 42 1HG2 ILE 42 -7.127 -7.144 -4.846 365 2HG2 ILE 42 2HG2 ILE 42 -6.180 -6.491 -6.182 366 3HG2 ILE 42 3HG2 ILE 42 -5.373 -7.017 -4.704 367 1HD1 ILE 42 1HD1 ILE 42 -9.050 -8.578 -7.611 368 2HD1 ILE 42 2HD1 ILE 42 -8.325 -7.150 -6.874 369 3HD1 ILE 42 3HD1 ILE 42 -8.655 -8.578 -5.893 370 H ARG 43 H ARG 43 -5.290 -9.409 -8.781 371 HA ARG 43 HA ARG 43 -5.365 -12.249 -8.633 372 1HB ARG 43 2HB ARG 43 -6.072 -10.401 -10.520 373 2HB ARG 43 1HB ARG 43 -4.636 -11.096 -11.267 374 1HG ARG 43 2HG ARG 43 -6.994 -12.693 -10.217 375 2HG ARG 43 1HG ARG 43 -6.707 -12.311 -11.914 376 1HD ARG 43 2HD ARG 43 -4.974 -14.005 -10.099 377 2HD ARG 43 1HD ARG 43 -5.848 -14.526 -11.538 378 HE ARG 43 HE ARG 43 -3.271 -13.158 -11.504 379 1HH1 ARG 43 1HH2 ARG 43 -6.193 -13.807 -13.216 380 2HH1 ARG 43 2HH2 ARG 43 -5.493 -13.543 -14.778 381 1HH2 ARG 43 1HH1 ARG 43 -2.341 -12.808 -13.535 382 2HH2 ARG 43 2HH1 ARG 43 -3.313 -12.978 -14.959 383 H TYR 44 H TYR 44 -2.733 -10.052 -9.552 384 HA TYR 44 HA TYR 44 -0.909 -12.046 -10.465 385 1HB TYR 44 2HB TYR 44 -0.639 -9.249 -9.402 386 2HB TYR 44 1HB TYR 44 0.812 -10.225 -9.623 387 HD1 TYR 44 1HD TYR 44 -2.285 -10.397 -11.690 388 HD2 TYR 44 2HD TYR 44 1.808 -9.110 -11.477 389 HE1 TYR 44 1HE TYR 44 -2.314 -9.910 -14.114 390 HE2 TYR 44 2HE TYR 44 1.777 -8.622 -13.904 391 HH TYR 44 HH TYR 44 -1.053 -8.414 -15.703 392 H TYR 45 H TYR 45 -1.541 -10.729 -7.227 393 HA TYR 45 HA TYR 45 -0.488 -13.158 -6.022 394 1HB TYR 45 2HB TYR 45 1.363 -12.176 -4.822 395 2HB TYR 45 1HB TYR 45 1.587 -11.840 -6.539 396 HD1 TYR 45 1HD TYR 45 1.491 -10.406 -3.299 397 HD2 TYR 45 2HD TYR 45 0.527 -9.586 -7.402 398 HE1 TYR 45 1HE TYR 45 1.540 -7.975 -2.822 399 HE2 TYR 45 2HE TYR 45 0.577 -7.155 -6.928 400 HH TYR 45 HH TYR 45 0.231 -5.806 -4.218 401 H THR 46 H THR 46 -2.915 -12.620 -5.565 402 HA THR 46 HA THR 46 -3.640 -10.580 -3.718 403 HB THR 46 HB THR 46 -5.524 -11.593 -4.583 404 HG1 THR 46 1HG THR 46 -6.510 -12.626 -2.937 405 1HG2 THR 46 1HG2 THR 46 -4.533 -13.354 -5.827 406 2HG2 THR 46 2HG2 THR 46 -5.684 -14.145 -4.751 407 3HG2 THR 46 3HG2 THR 46 -3.965 -14.165 -4.369 408 H ARG 47 H ARG 47 -2.856 -13.992 -3.112 409 HA ARG 47 HA ARG 47 -2.505 -15.066 -1.014 410 1HB ARG 47 2HB ARG 47 -0.297 -14.351 -0.107 411 2HB ARG 47 1HB ARG 47 -0.277 -14.583 -1.853 412 1HG ARG 47 2HG ARG 47 -0.195 -12.283 -2.289 413 2HG ARG 47 1HG ARG 47 -0.825 -11.855 -0.701 414 1HD ARG 47 2HD ARG 47 1.846 -13.218 -1.064 415 2HD ARG 47 1HD ARG 47 1.674 -11.463 -1.046 416 HE ARG 47 HE ARG 47 1.553 -13.197 1.272 417 1HH1 ARG 47 1HH2 ARG 47 0.331 -10.329 -0.202 418 2HH1 ARG 47 2HH2 ARG 47 -0.043 -9.557 1.303 419 1HH2 ARG 47 1HH1 ARG 47 1.070 -12.207 3.243 420 2HH2 ARG 47 2HH1 ARG 47 0.377 -10.619 3.253 421 H GLU 48 H GLU 48 -4.630 -13.648 -0.369 422 HA GLU 48 HA GLU 48 -3.953 -12.584 2.311 423 1HB GLU 48 2HB GLU 48 -5.206 -11.006 0.084 424 2HB GLU 48 1HB GLU 48 -5.712 -10.691 1.744 425 1HG GLU 48 2HG GLU 48 -3.357 -10.318 2.392 426 2HG GLU 48 1HG GLU 48 -2.857 -10.613 0.726 427 H ALA 49 H ALA 49 -5.381 -13.384 3.766 428 HA ALA 49 HA ALA 49 -7.866 -14.667 2.736 429 1HB ALA 49 1HB ALA 49 -6.384 -16.084 4.097 430 2HB ALA 49 2HB ALA 49 -7.908 -15.804 4.941 431 3HB ALA 49 3HB ALA 49 -6.461 -14.915 5.416 432 H GLY 50 H GLY 50 -8.189 -12.000 2.682 433 1HA GLY 50 2HA GLY 50 -10.431 -11.457 4.263 434 2HA GLY 50 1HA GLY 50 -9.055 -10.830 5.175 435 H VAL 51 H VAL 51 -11.255 -9.347 3.825 436 HA VAL 51 HA VAL 51 -10.030 -8.060 1.504 437 HB VAL 51 HB VAL 51 -11.998 -6.573 1.591 438 1HG1 VAL 51 1HG1 VAL 51 -12.641 -9.503 2.049 439 2HG1 VAL 51 2HG1 VAL 51 -12.211 -8.769 0.504 440 3HG1 VAL 51 3HG1 VAL 51 -13.723 -8.329 1.298 441 1HG2 VAL 51 1HG2 VAL 51 -12.362 -6.247 3.918 442 2HG2 VAL 51 2HG2 VAL 51 -12.403 -7.981 4.236 443 3HG2 VAL 51 3HG2 VAL 51 -13.741 -7.208 3.385 444 H ARG 52 H ARG 52 -10.665 -7.147 4.898 445 HA ARG 52 HA ARG 52 -9.867 -4.514 4.973 446 1HB ARG 52 2HB ARG 52 -8.884 -6.632 6.910 447 2HB ARG 52 1HB ARG 52 -9.014 -4.903 7.232 448 1HG ARG 52 2HG ARG 52 -11.324 -6.759 6.578 449 2HG ARG 52 1HG ARG 52 -10.949 -6.104 8.171 450 1HD ARG 52 2HD ARG 52 -11.074 -3.783 6.913 451 2HD ARG 52 1HD ARG 52 -12.042 -4.697 5.756 452 HE ARG 52 HE ARG 52 -13.196 -5.353 8.164 453 1HH1 ARG 52 1HH2 ARG 52 -12.265 -2.419 6.612 454 2HH1 ARG 52 2HH2 ARG 52 -13.522 -1.477 7.341 455 1HH2 ARG 52 1HH1 ARG 52 -14.847 -4.141 9.126 456 2HH2 ARG 52 2HH1 ARG 52 -14.985 -2.452 8.765 457 H SER 53 H SER 53 -7.520 -7.205 5.341 458 HA SER 53 HA SER 53 -5.199 -5.607 5.109 459 1HB SER 53 2HB SER 53 -5.443 -8.407 4.009 460 2HB SER 53 1HB SER 53 -4.005 -7.623 4.654 461 HG SER 53 HG SER 53 -6.342 -8.444 6.036 462 H LEU 54 H LEU 54 -7.109 -7.235 2.590 463 HA LEU 54 HA LEU 54 -5.536 -6.664 0.342 464 1HB LEU 54 2HB LEU 54 -7.801 -7.902 0.470 465 2HB LEU 54 1HB LEU 54 -8.537 -6.306 0.335 466 HG LEU 54 HG LEU 54 -6.850 -6.076 -1.714 467 1HD1 LEU 54 1HD1 LEU 54 -5.928 -8.408 -1.147 468 2HD1 LEU 54 2HD1 LEU 54 -6.374 -8.124 -2.829 469 3HD1 LEU 54 3HD1 LEU 54 -7.450 -9.040 -1.774 470 1HD2 LEU 54 1HD2 LEU 54 -8.708 -7.140 -3.149 471 2HD2 LEU 54 2HD2 LEU 54 -9.189 -5.833 -2.067 472 3HD2 LEU 54 3HD2 LEU 54 -9.512 -7.509 -1.623 473 H GLU 55 H GLU 55 -8.228 -4.634 1.535 474 HA GLU 55 HA GLU 55 -7.792 -2.383 -0.058 475 1HB GLU 55 2HB GLU 55 -8.511 -2.233 2.879 476 2HB GLU 55 1HB GLU 55 -8.975 -1.111 1.599 477 1HG GLU 55 2HG GLU 55 -10.099 -3.182 0.495 478 2HG GLU 55 1HG GLU 55 -9.964 -3.917 2.092 479 H ARG 56 H ARG 56 -6.112 -3.318 2.942 480 HA ARG 56 HA ARG 56 -4.617 -0.891 3.217 481 1HB ARG 56 2HB ARG 56 -4.759 -3.412 4.531 482 2HB ARG 56 1HB ARG 56 -3.067 -3.161 4.111 483 1HG ARG 56 2HG ARG 56 -4.779 -1.085 5.511 484 2HG ARG 56 1HG ARG 56 -3.724 -2.216 6.356 485 1HD ARG 56 2HD ARG 56 -1.847 -1.055 5.801 486 2HD ARG 56 1HD ARG 56 -2.391 -0.796 4.143 487 HE ARG 56 HE ARG 56 -3.052 1.345 4.833 488 1HH1 ARG 56 1HH2 ARG 56 -3.153 -0.903 7.448 489 2HH1 ARG 56 2HH2 ARG 56 -3.668 0.272 8.611 490 1HH2 ARG 56 1HH1 ARG 56 -3.724 2.889 6.339 491 2HH2 ARG 56 2HH1 ARG 56 -3.991 2.418 7.984 492 H GLN 57 H GLN 57 -3.941 -3.880 1.411 493 HA GLN 57 HA GLN 57 -1.283 -3.141 0.615 494 1HB GLN 57 2HB GLN 57 -3.350 -5.059 -0.445 495 2HB GLN 57 1HB GLN 57 -1.870 -4.763 -1.359 496 1HG GLN 57 2HG GLN 57 -1.725 -6.716 0.232 497 2HG GLN 57 1HG GLN 57 -0.498 -5.477 0.495 498 1HE2 GLN 57 1HE2 GLN 57 -2.920 -7.296 2.062 499 2HE2 GLN 57 2HE2 GLN 57 -3.036 -6.367 3.479 500 H LEU 58 H LEU 58 -4.460 -2.690 -0.934 501 HA LEU 58 HA LEU 58 -3.449 -1.409 -3.295 502 1HB LEU 58 2HB LEU 58 -6.138 -0.844 -2.025 503 2HB LEU 58 1HB LEU 58 -5.711 -0.778 -3.735 504 HG LEU 58 HG LEU 58 -5.711 -3.293 -2.044 505 1HD1 LEU 58 1HD1 LEU 58 -7.699 -2.113 -3.980 506 2HD1 LEU 58 2HD1 LEU 58 -7.985 -2.732 -2.355 507 3HD1 LEU 58 3HD1 LEU 58 -7.639 -3.849 -3.675 508 1HD2 LEU 58 1HD2 LEU 58 -4.114 -3.577 -3.781 509 2HD2 LEU 58 2HD2 LEU 58 -5.110 -2.707 -4.947 510 3HD2 LEU 58 3HD2 LEU 58 -5.587 -4.317 -4.407 511 H ALA 59 H ALA 59 -4.738 -0.072 -0.236 512 HA ALA 59 HA ALA 59 -4.331 2.669 -0.896 513 1HB ALA 59 1HB ALA 59 -5.540 1.659 1.154 514 2HB ALA 59 2HB ALA 59 -4.583 3.115 1.424 515 3HB ALA 59 3HB ALA 59 -3.937 1.538 1.880 516 H ALA 60 H ALA 60 -2.195 0.200 0.437 517 HA ALA 60 HA ALA 60 0.020 1.819 1.121 518 1HB ALA 60 1HB ALA 60 1.335 -0.190 1.028 519 2HB ALA 60 2HB ALA 60 0.195 -0.954 -0.080 520 3HB ALA 60 3HB ALA 60 -0.270 -0.652 1.595 521 H ILE 61 H ILE 61 -0.549 0.101 -1.999 522 HA ILE 61 HA ILE 61 1.769 1.202 -3.258 523 HB ILE 61 HB ILE 61 0.066 -0.722 -3.995 524 1HG1 ILE 61 2HG1 ILE 61 1.530 1.055 -5.970 525 2HG1 ILE 61 1HG1 ILE 61 2.267 -0.236 -5.019 526 1HG2 ILE 61 1HG2 ILE 61 -1.379 -0.050 -5.819 527 2HG2 ILE 61 2HG2 ILE 61 -0.817 1.617 -5.715 528 3HG2 ILE 61 3HG2 ILE 61 -1.785 0.927 -4.414 529 1HD1 ILE 61 1HD1 ILE 61 0.508 -1.790 -6.064 530 2HD1 ILE 61 2HD1 ILE 61 1.790 -1.223 -7.134 531 3HD1 ILE 61 3HD1 ILE 61 0.191 -0.481 -7.203 532 H CYS 62 H CYS 62 -1.635 2.284 -3.398 533 HA CYS 62 HA CYS 62 -1.285 4.500 -5.092 534 1HB CYS 62 2HB CYS 62 -3.132 4.238 -2.701 535 2HB CYS 62 1HB CYS 62 -3.295 5.436 -3.986 536 HG CYS 62 HG CYS 62 -3.913 3.582 -5.648 537 H ARG 63 H ARG 63 -1.659 4.892 -1.556 538 HA ARG 63 HA ARG 63 -0.578 7.476 -1.427 539 1HB ARG 63 2HB ARG 63 -1.707 6.499 0.465 540 2HB ARG 63 1HB ARG 63 -0.458 5.263 0.617 541 1HG ARG 63 2HG ARG 63 1.170 6.832 1.327 542 2HG ARG 63 1HG ARG 63 0.205 8.202 0.779 543 1HD ARG 63 2HD ARG 63 0.121 7.954 3.245 544 2HD ARG 63 1HD ARG 63 -1.470 7.748 2.512 545 HE ARG 63 HE ARG 63 -1.428 5.466 3.158 546 1HH1 ARG 63 1HH2 ARG 63 1.643 7.004 3.475 547 2HH1 ARG 63 2HH2 ARG 63 2.359 5.689 4.345 548 1HH2 ARG 63 1HH1 ARG 63 -0.508 3.740 4.292 549 2HH2 ARG 63 2HH1 ARG 63 1.142 3.843 4.808 550 H LYS 64 H LYS 64 1.162 4.356 -1.053 551 HA LYS 64 HA LYS 64 3.728 5.241 -0.483 552 1HB LYS 64 2HB LYS 64 3.415 2.885 -0.839 553 2HB LYS 64 1HB LYS 64 2.839 3.143 -2.486 554 1HG LYS 64 2HG LYS 64 4.997 3.731 -3.271 555 2HG LYS 64 1HG LYS 64 5.614 3.981 -1.638 556 1HD LYS 64 2HD LYS 64 4.571 1.265 -2.372 557 2HD LYS 64 1HD LYS 64 6.161 1.744 -2.964 558 1HE LYS 64 2HE LYS 64 5.432 2.075 -0.056 559 2HE LYS 64 1HE LYS 64 6.041 0.539 -0.671 560 1HZ LYS 64 1HZ LYS 64 8.041 1.427 -0.338 561 2HZ LYS 64 2HZ LYS 64 7.434 3.008 -0.204 562 3HZ LYS 64 3HZ LYS 64 7.749 2.342 -1.735 563 H ALA 65 H ALA 65 1.966 5.407 -3.521 564 HA ALA 65 HA ALA 65 4.121 6.677 -4.996 565 1HB ALA 65 1HB ALA 65 1.185 6.878 -5.677 566 2HB ALA 65 2HB ALA 65 2.086 5.387 -5.949 567 3HB ALA 65 3HB ALA 65 2.567 6.870 -6.772 568 H ALA 66 H ALA 66 1.267 7.777 -3.144 569 HA ALA 66 HA ALA 66 1.399 10.529 -3.888 570 1HB ALA 66 1HB ALA 66 -0.453 9.475 -2.564 571 2HB ALA 66 2HB ALA 66 0.145 10.973 -1.852 572 3HB ALA 66 3HB ALA 66 0.630 9.422 -1.172 573 H LYS 67 H LYS 67 3.044 8.763 -1.265 574 HA LYS 67 HA LYS 67 4.322 10.904 0.008 575 1HB LYS 67 2HB LYS 67 4.578 8.069 -0.033 576 2HB LYS 67 1HB LYS 67 6.198 8.720 -0.275 577 1HG LYS 67 2HG LYS 67 4.349 9.664 1.933 578 2HG LYS 67 1HG LYS 67 5.531 8.375 2.149 579 1HD LYS 67 2HD LYS 67 7.293 10.012 1.308 580 2HD LYS 67 1HD LYS 67 6.069 11.272 1.455 581 1HE LYS 67 2HE LYS 67 7.443 9.707 3.602 582 2HE LYS 67 1HE LYS 67 7.027 11.420 3.558 583 1HZ LYS 67 1HZ LYS 67 5.636 10.186 5.114 584 2HZ LYS 67 2HZ LYS 67 5.089 9.188 3.853 585 3HZ LYS 67 3HZ LYS 67 4.710 10.845 3.854 586 H ALA 68 H ALA 68 5.236 9.226 -2.970 587 HA ALA 68 HA ALA 68 7.727 10.627 -3.334 588 1HB ALA 68 1HB ALA 68 7.124 8.491 -4.491 589 2HB ALA 68 2HB ALA 68 7.669 9.746 -5.604 590 3HB ALA 68 3HB ALA 68 5.949 9.387 -5.455 591 H ILE 69 H ILE 69 4.802 11.980 -3.106 592 HA ILE 69 HA ILE 69 4.336 13.540 -5.382 593 HB ILE 69 HB ILE 69 2.838 13.635 -3.468 594 1HG1 ILE 69 2HG1 ILE 69 2.502 16.050 -3.304 595 2HG1 ILE 69 1HG1 ILE 69 4.151 16.347 -3.852 596 1HG2 ILE 69 1HG2 ILE 69 3.488 14.652 -1.362 597 2HG2 ILE 69 2HG2 ILE 69 5.067 15.087 -2.015 598 3HG2 ILE 69 3HG2 ILE 69 4.656 13.392 -1.756 599 1HD1 ILE 69 1HD1 ILE 69 2.290 14.710 -5.556 600 2HD1 ILE 69 2HD1 ILE 69 3.682 15.680 -6.044 601 3HD1 ILE 69 3HD1 ILE 69 2.176 16.471 -5.579 602 H VAL 70 H VAL 70 7.000 13.672 -3.172 603 HA VAL 70 HA VAL 70 7.833 16.364 -4.020 604 HB VAL 70 HB VAL 70 9.414 14.340 -2.424 605 1HG1 VAL 70 1HG1 VAL 70 10.451 16.429 -1.513 606 2HG1 VAL 70 2HG1 VAL 70 9.507 17.359 -2.676 607 3HG1 VAL 70 3HG1 VAL 70 10.727 16.218 -3.241 608 1HG2 VAL 70 1HG2 VAL 70 7.392 16.406 -1.504 609 2HG2 VAL 70 2HG2 VAL 70 8.499 15.553 -0.428 610 3HG2 VAL 70 3HG2 VAL 70 7.268 14.656 -1.317 611 H ALA 71 H ALA 71 8.854 13.003 -4.514 612 HA ALA 71 HA ALA 71 10.939 13.865 -6.424 613 1HB ALA 71 1HB ALA 71 11.282 11.337 -6.620 614 2HB ALA 71 2HB ALA 71 10.092 11.176 -5.328 615 3HB ALA 71 3HB ALA 71 11.601 12.040 -5.034 616 H GLU 72 H GLU 72 10.923 12.167 -8.451 617 HA GLU 72 HA GLU 72 9.920 11.877 -10.556 618 1HB GLU 72 2HB GLU 72 8.840 10.106 -9.050 619 2HB GLU 72 1HB GLU 72 7.452 11.187 -8.945 620 1HG GLU 72 2HG GLU 72 6.718 10.565 -10.994 621 2HG GLU 72 1HG GLU 72 8.296 10.867 -11.717 622 H GLU 73 H GLU 73 7.234 12.270 -11.367 623 HA GLU 73 HA GLU 73 7.205 15.183 -11.549 624 1HB GLU 73 2HB GLU 73 6.503 13.426 -13.352 625 2HB GLU 73 1HB GLU 73 4.965 13.399 -12.491 626 1HG GLU 73 2HG GLU 73 4.676 15.064 -14.152 627 2HG GLU 73 1HG GLU 73 5.023 15.973 -12.681 628 H ARG 74 H ARG 74 5.351 16.502 -10.906 629 HA ARG 74 HA ARG 74 4.021 15.433 -8.449 630 1HB ARG 74 2HB ARG 74 3.604 17.955 -8.056 631 2HB ARG 74 1HB ARG 74 5.255 17.366 -7.863 632 1HG ARG 74 2HG ARG 74 5.830 18.112 -10.115 633 2HG ARG 74 1HG ARG 74 4.163 18.609 -10.405 634 1HD ARG 74 2HD ARG 74 4.458 20.111 -8.314 635 2HD ARG 74 1HD ARG 74 6.186 19.834 -8.532 636 HE ARG 74 HE ARG 74 6.117 21.184 -10.487 637 1HH1 ARG 74 1HH2 ARG 74 2.982 20.382 -9.289 638 2HH1 ARG 74 2HH2 ARG 74 2.156 21.491 -10.332 639 1HH2 ARG 74 1HH1 ARG 74 5.054 22.633 -11.854 640 2HH2 ARG 74 2HH1 ARG 74 3.327 22.764 -11.783 641 H LYS 75 H LYS 75 2.471 14.372 -10.046 642 HA LYS 75 HA LYS 75 0.197 16.213 -10.494 643 1HB LYS 75 2HB LYS 75 1.370 14.492 -12.701 644 2HB LYS 75 1HB LYS 75 -0.115 15.438 -12.817 645 1HG LYS 75 2HG LYS 75 1.290 17.479 -12.213 646 2HG LYS 75 1HG LYS 75 2.710 16.465 -12.474 647 1HD LYS 75 2HD LYS 75 1.982 16.008 -14.775 648 2HD LYS 75 1HD LYS 75 0.533 16.982 -14.522 649 1HE LYS 75 2HE LYS 75 3.406 17.943 -14.481 650 2HE LYS 75 1HE LYS 75 2.159 18.368 -15.654 651 1HZ LYS 75 1HZ LYS 75 1.852 20.117 -14.312 652 2HZ LYS 75 2HZ LYS 75 2.606 19.377 -12.981 653 3HZ LYS 75 3HZ LYS 75 0.982 19.030 -13.342 654 H ARG 76 H ARG 76 -1.507 14.513 -11.805 655 HA ARG 76 HA ARG 76 -2.373 12.746 -9.740 656 1HB ARG 76 2HB ARG 76 -3.793 11.753 -11.664 657 2HB ARG 76 1HB ARG 76 -4.049 13.445 -11.246 658 1HG ARG 76 2HG ARG 76 -1.911 13.058 -13.236 659 2HG ARG 76 1HG ARG 76 -3.486 12.497 -13.790 660 1HD ARG 76 2HD ARG 76 -2.869 14.985 -14.200 661 2HD ARG 76 1HD ARG 76 -4.469 14.623 -13.553 662 HE ARG 76 HE ARG 76 -2.607 15.047 -11.401 663 1HH1 ARG 76 1HH2 ARG 76 -4.398 16.611 -13.897 664 2HH1 ARG 76 2HH2 ARG 76 -4.515 18.118 -13.052 665 1HH2 ARG 76 1HH1 ARG 76 -2.750 17.006 -10.282 666 2HH2 ARG 76 2HH1 ARG 76 -3.584 18.342 -11.004 667 H ILE 77 H ILE 77 -1.465 10.834 -9.155 668 HA ILE 77 HA ILE 77 0.589 9.543 -10.689 669 HB ILE 77 HB ILE 77 -1.129 8.207 -8.584 670 1HG1 ILE 77 2HG1 ILE 77 -0.450 10.322 -7.634 671 2HG1 ILE 77 1HG1 ILE 77 0.603 9.077 -6.964 672 1HG2 ILE 77 1HG2 ILE 77 1.825 7.891 -9.139 673 2HG2 ILE 77 2HG2 ILE 77 0.608 6.933 -9.980 674 3HG2 ILE 77 3HG2 ILE 77 0.765 6.816 -8.228 675 1HD1 ILE 77 1HD1 ILE 77 2.093 10.802 -7.584 676 2HD1 ILE 77 2HD1 ILE 77 1.234 11.122 -9.090 677 3HD1 ILE 77 3HD1 ILE 77 2.200 9.657 -8.920 678 H THR 78 H THR 78 -0.024 8.889 -12.738 679 HA THR 78 HA THR 78 -2.608 7.593 -13.185 680 HB THR 78 HB THR 78 -0.282 7.707 -15.114 681 HG1 THR 78 1HG THR 78 -0.519 9.784 -14.869 682 1HG2 THR 78 1HG2 THR 78 -2.030 7.607 -16.797 683 2HG2 THR 78 2HG2 THR 78 -3.279 7.723 -15.557 684 3HG2 THR 78 3HG2 THR 78 -2.267 6.281 -15.657 685 H VAL 79 H VAL 79 -2.984 5.416 -13.215 686 HA VAL 79 HA VAL 79 -0.636 3.574 -13.332 687 HB VAL 79 HB VAL 79 -2.884 3.159 -11.357 688 1HG1 VAL 79 1HG1 VAL 79 -0.036 2.124 -11.438 689 2HG1 VAL 79 2HG1 VAL 79 -1.425 1.240 -12.068 690 3HG1 VAL 79 3HG1 VAL 79 -1.320 1.605 -10.346 691 1HG2 VAL 79 1HG2 VAL 79 -1.842 5.264 -10.736 692 2HG2 VAL 79 2HG2 VAL 79 -0.232 4.577 -10.957 693 3HG2 VAL 79 3HG2 VAL 79 -1.258 4.014 -9.637 694 H THR 80 H THR 80 -1.096 2.508 -15.207 695 HA THR 80 HA THR 80 -3.890 1.811 -15.874 696 HB THR 80 HB THR 80 -2.882 0.930 -17.977 697 HG1 THR 80 1HG THR 80 -0.802 0.680 -18.123 698 1HG2 THR 80 1HG2 THR 80 -3.429 3.430 -17.500 699 2HG2 THR 80 2HG2 THR 80 -2.447 3.042 -18.912 700 3HG2 THR 80 3HG2 THR 80 -1.677 3.637 -17.442 701 H GLU 81 H GLU 81 -1.180 -0.314 -16.570 702 HA GLU 81 HA GLU 81 -2.010 -2.242 -14.495 703 1HB GLU 81 2HB GLU 81 -2.229 -4.060 -16.246 704 2HB GLU 81 1HB GLU 81 -3.531 -2.870 -16.253 705 1HG GLU 81 2HG GLU 81 -2.558 -1.707 -18.128 706 2HG GLU 81 1HG GLU 81 -1.091 -2.683 -18.039 707 H LYS 82 H LYS 82 0.400 -0.687 -15.097 708 HA LYS 82 HA LYS 82 2.309 -2.945 -15.130 709 1HB LYS 82 2HB LYS 82 1.999 -2.021 -17.515 710 2HB LYS 82 1HB LYS 82 2.789 -0.559 -16.924 711 1HG LYS 82 2HG LYS 82 4.721 -1.949 -16.175 712 2HG LYS 82 1HG LYS 82 3.943 -3.363 -16.887 713 1HD LYS 82 2HD LYS 82 3.906 -2.142 -19.089 714 2HD LYS 82 1HD LYS 82 4.876 -0.873 -18.340 715 1HE LYS 82 2HE LYS 82 6.550 -2.676 -17.711 716 2HE LYS 82 1HE LYS 82 5.637 -3.775 -18.745 717 1HZ LYS 82 1HZ LYS 82 6.702 -2.955 -20.484 718 2HZ LYS 82 2HZ LYS 82 7.556 -1.874 -19.491 719 3HZ LYS 82 3HZ LYS 82 6.067 -1.414 -20.168 720 H ASN 83 H ASN 83 1.941 0.606 -14.970 721 HA ASN 83 HA ASN 83 4.338 1.216 -13.633 722 1HB ASN 83 2HB ASN 83 2.408 2.775 -14.471 723 2HB ASN 83 1HB ASN 83 1.755 2.554 -12.848 724 1HD2 ASN 83 1HD2 ASN 83 3.392 3.041 -11.012 725 2HD2 ASN 83 2HD2 ASN 83 4.484 4.314 -11.267 726 H LEU 84 H LEU 84 1.263 0.019 -12.311 727 HA LEU 84 HA LEU 84 1.807 0.249 -9.564 728 1HB LEU 84 2HB LEU 84 0.362 -1.789 -9.291 729 2HB LEU 84 1HB LEU 84 -0.352 -0.551 -10.322 730 HG LEU 84 HG LEU 84 1.001 -1.997 -12.194 731 1HD1 LEU 84 1HD1 LEU 84 -0.140 -4.192 -10.504 732 2HD1 LEU 84 2HD1 LEU 84 1.482 -3.616 -10.132 733 3HD1 LEU 84 3HD1 LEU 84 1.123 -4.264 -11.731 734 1HD2 LEU 84 1HD2 LEU 84 -1.301 -1.419 -12.471 735 2HD2 LEU 84 2HD2 LEU 84 -1.783 -2.377 -11.072 736 3HD2 LEU 84 3HD2 LEU 84 -1.238 -3.181 -12.543 737 H GLN 85 H GLN 85 2.847 -2.268 -11.852 738 HA GLN 85 HA GLN 85 4.122 -3.996 -10.005 739 1HB GLN 85 2HB GLN 85 3.789 -4.438 -12.467 740 2HB GLN 85 1HB GLN 85 5.121 -3.326 -12.790 741 1HG GLN 85 2HG GLN 85 6.554 -4.752 -11.267 742 2HG GLN 85 1HG GLN 85 5.235 -5.922 -11.233 743 1HE2 GLN 85 1HE2 GLN 85 7.900 -6.394 -12.402 744 2HE2 GLN 85 2HE2 GLN 85 7.660 -6.694 -14.055 745 H ASP 86 H ASP 86 5.292 -1.038 -11.583 746 HA ASP 86 HA ASP 86 7.975 -1.185 -10.579 747 1HB ASP 86 2HB ASP 86 6.304 1.223 -11.361 748 2HB ASP 86 1HB ASP 86 8.044 1.257 -11.072 749 H PHE 87 H PHE 87 4.988 0.233 -9.275 750 HA PHE 87 HA PHE 87 6.262 1.457 -6.984 751 1HB PHE 87 2HB PHE 87 3.428 0.701 -7.687 752 2HB PHE 87 1HB PHE 87 3.819 1.218 -6.048 753 HD1 PHE 87 1HD PHE 87 5.452 3.393 -6.007 754 HD2 PHE 87 2HD PHE 87 2.704 2.366 -9.147 755 HE1 PHE 87 1HE PHE 87 5.387 5.761 -6.727 756 HE2 PHE 87 2HE PHE 87 2.640 4.736 -9.865 757 HZ PHE 87 HZ PHE 87 3.984 6.435 -8.658 758 H ILE 88 H ILE 88 4.696 -1.652 -7.592 759 HA ILE 88 HA ILE 88 5.057 -2.602 -4.873 760 HB ILE 88 HB ILE 88 4.002 -3.651 -7.429 761 1HG1 ILE 88 2HG1 ILE 88 2.990 -4.236 -4.659 762 2HG1 ILE 88 1HG1 ILE 88 2.753 -2.638 -5.366 763 1HG2 ILE 88 1HG2 ILE 88 5.187 -5.402 -5.284 764 2HG2 ILE 88 2HG2 ILE 88 5.435 -5.490 -7.029 765 3HG2 ILE 88 3HG2 ILE 88 3.888 -5.971 -6.333 766 1HD1 ILE 88 1HD1 ILE 88 0.819 -4.106 -5.823 767 2HD1 ILE 88 2HD1 ILE 88 1.888 -5.257 -6.625 768 3HD1 ILE 88 3HD1 ILE 88 1.642 -3.653 -7.315 769 H GLY 89 H GLY 89 6.481 -3.689 -7.983 770 1HA GLY 89 2HA GLY 89 9.082 -3.636 -7.850 771 2HA GLY 89 1HA GLY 89 8.845 -4.666 -6.438 772 H LYS 90 H LYS 90 7.461 -6.681 -6.892 773 HA LYS 90 HA LYS 90 7.647 -7.643 -9.688 774 1HB LYS 90 2HB LYS 90 9.821 -8.240 -8.664 775 2HB LYS 90 1HB LYS 90 8.973 -9.083 -7.367 776 1HG LYS 90 2HG LYS 90 8.161 -10.756 -8.822 777 2HG LYS 90 1HG LYS 90 8.473 -9.782 -10.260 778 1HD LYS 90 2HD LYS 90 10.153 -11.582 -10.010 779 2HD LYS 90 1HD LYS 90 10.896 -9.987 -9.891 780 1HE LYS 90 2HE LYS 90 11.054 -10.133 -7.511 781 2HE LYS 90 1HE LYS 90 9.995 -11.543 -7.458 782 1HZ LYS 90 1HZ LYS 90 12.472 -11.680 -9.028 783 2HZ LYS 90 2HZ LYS 90 11.630 -12.920 -8.227 784 3HZ LYS 90 3HZ LYS 90 12.569 -11.817 -7.340 785 H ARG 91 H ARG 91 6.552 -9.830 -9.878 786 HA ARG 91 HA ARG 91 4.173 -9.863 -8.096 787 1HB ARG 91 2HB ARG 91 3.150 -11.254 -9.821 788 2HB ARG 91 1HB ARG 91 3.867 -9.830 -10.577 789 1HG ARG 91 2HG ARG 91 5.975 -11.316 -10.882 790 2HG ARG 91 1HG ARG 91 4.886 -12.668 -10.572 791 1HD ARG 91 2HD ARG 91 4.882 -12.410 -12.935 792 2HD ARG 91 1HD ARG 91 3.380 -11.664 -12.394 793 HE ARG 91 HE ARG 91 5.122 -9.542 -12.416 794 1HH1 ARG 91 1HH2 ARG 91 4.312 -12.052 -14.635 795 2HH1 ARG 91 2HH2 ARG 91 4.623 -11.092 -16.043 796 1HH2 ARG 91 1HH1 ARG 91 5.534 -8.272 -14.240 797 2HH2 ARG 91 2HH1 ARG 91 5.316 -8.950 -15.819 798 H ILE 92 H ILE 92 3.349 -12.094 -7.487 799 HA ILE 92 HA ILE 92 5.651 -13.754 -6.575 800 HB ILE 92 HB ILE 92 2.755 -13.852 -5.680 801 1HG1 ILE 92 2HG1 ILE 92 5.163 -12.356 -4.606 802 2HG1 ILE 92 1HG1 ILE 92 3.613 -11.679 -5.103 803 1HG2 ILE 92 1HG2 ILE 92 4.271 -15.884 -5.336 804 2HG2 ILE 92 2HG2 ILE 92 3.559 -15.205 -3.874 805 3HG2 ILE 92 3HG2 ILE 92 5.241 -14.861 -4.276 806 1HD1 ILE 92 1HD1 ILE 92 3.333 -11.738 -2.796 807 2HD1 ILE 92 2HD1 ILE 92 4.308 -13.195 -2.611 808 3HD1 ILE 92 3HD1 ILE 92 2.665 -13.308 -3.241 809 H PHE 93 H PHE 93 2.258 -14.522 -7.480 810 HA PHE 93 HA PHE 93 2.952 -17.154 -8.399 811 1HB PHE 93 2HB PHE 93 0.556 -15.627 -9.414 812 2HB PHE 93 1HB PHE 93 0.708 -17.354 -9.107 813 HD1 PHE 93 1HD PHE 93 -1.498 -15.519 -8.069 814 HD2 PHE 93 2HD PHE 93 2.230 -16.777 -6.333 815 HE1 PHE 93 1HE PHE 93 -2.439 -15.191 -5.802 816 HE2 PHE 93 2HE PHE 93 1.285 -16.442 -4.070 817 HZ PHE 93 HZ PHE 93 -1.048 -15.651 -3.802 818 H ARG 94 H ARG 94 4.657 -17.019 -9.897 819 HA ARG 94 HA ARG 94 4.160 -15.457 -12.388 820 1HB ARG 94 2HB ARG 94 6.612 -16.198 -12.828 821 2HB ARG 94 1HB ARG 94 6.326 -14.976 -11.587 822 1HG ARG 94 2HG ARG 94 6.478 -16.623 -9.827 823 2HG ARG 94 1HG ARG 94 6.522 -17.941 -10.996 824 1HD ARG 94 2HD ARG 94 8.621 -16.107 -11.666 825 2HD ARG 94 1HD ARG 94 8.728 -16.455 -9.941 826 HE ARG 94 HE ARG 94 9.322 -18.315 -12.071 827 1HH1 ARG 94 1HH2 ARG 94 7.980 -17.955 -8.916 828 2HH1 ARG 94 2HH2 ARG 94 8.346 -19.576 -8.429 829 1HH2 ARG 94 1HH1 ARG 94 9.809 -20.435 -11.454 830 2HH2 ARG 94 2HH1 ARG 94 9.382 -20.979 -9.866 831 H TYR 95 H TYR 95 2.463 -17.225 -12.828 832 HA TYR 95 HA TYR 95 3.442 -19.880 -13.510 833 1HB TYR 95 2HB TYR 95 1.101 -19.506 -12.815 834 2HB TYR 95 1HB TYR 95 0.838 -18.504 -14.242 835 HD1 TYR 95 1HD TYR 95 0.228 -19.483 -16.300 836 HD2 TYR 95 2HD TYR 95 1.887 -21.934 -13.187 837 HE1 TYR 95 1HE TYR 95 -0.264 -21.513 -17.636 838 HE2 TYR 95 2HE TYR 95 1.394 -23.964 -14.523 839 HH TYR 95 HH TYR 95 1.088 -24.453 -17.075
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:28:14 AM GMT (wattos1)