![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
12840 |
1tof ![]() ![]() |
cing | recoord | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 3HN GLY 1 -0.536 -12.988 1.513 2 2H GLY 1 1HN GLY 1 0.948 -12.889 0.733 3 3H GLY 1 2HN GLY 1 0.560 -14.233 1.581 4 1HA GLY 1 1HA GLY 1 0.646 -13.117 3.642 5 2HA GLY 1 2HA GLY 1 2.127 -12.777 2.732 6 H GLY 2 HN GLY 2 -1.126 -11.559 3.480 7 1HA GLY 2 1HA GLY 2 -0.970 -8.999 2.393 8 2HA GLY 2 2HA GLY 2 -2.025 -9.510 3.710 9 H SER 3 HN SER 3 1.390 -8.477 3.131 10 HA SER 3 HA SER 3 1.765 -7.422 5.775 11 1HB SER 3 2HB SER 3 3.174 -6.515 3.224 12 2HB SER 3 1HB SER 3 3.757 -6.440 4.890 13 HG SER 3 HG SER 3 3.451 -8.848 4.809 14 H VAL 4 HN VAL 4 -0.452 -6.458 5.798 15 HA VAL 4 HA VAL 4 -1.086 -4.083 4.314 16 HB VAL 4 HB VAL 4 -3.026 -4.074 6.002 17 1HG1 VAL 4 1HG11 VAL 4 -2.443 -6.682 4.546 18 2HG1 VAL 4 3HG13 VAL 4 -3.982 -6.272 5.305 19 3HG1 VAL 4 2HG12 VAL 4 -3.369 -5.294 3.962 20 1HG2 VAL 4 1HG21 VAL 4 -1.654 -4.997 7.894 21 2HG2 VAL 4 3HG23 VAL 4 -3.248 -5.723 7.652 22 3HG2 VAL 4 2HG22 VAL 4 -1.797 -6.594 7.143 23 H ILE 5 HN ILE 5 1.362 -3.655 5.580 24 HA ILE 5 HA ILE 5 0.782 -1.662 7.753 25 HB ILE 5 HB ILE 5 3.223 -1.996 8.306 26 1HG1 ILE 5 2HG12 ILE 5 3.076 -4.589 6.739 27 2HG1 ILE 5 1HG11 ILE 5 3.604 -3.113 5.929 28 1HG2 ILE 5 3HG23 ILE 5 1.388 -3.057 9.579 29 2HG2 ILE 5 2HG22 ILE 5 1.417 -4.454 8.486 30 3HG2 ILE 5 1HG21 ILE 5 2.813 -4.101 9.521 31 1HD1 ILE 5 3HD13 ILE 5 4.864 -4.257 8.468 32 2HD1 ILE 5 2HD12 ILE 5 5.523 -4.396 6.832 33 3HD1 ILE 5 1HD11 ILE 5 5.398 -2.802 7.596 34 H VAL 6 HN VAL 6 2.498 0.036 7.889 35 HA VAL 6 HA VAL 6 2.825 1.362 5.277 36 HB VAL 6 HB VAL 6 1.529 2.606 6.987 37 1HG1 VAL 6 3HG23 VAL 6 2.559 1.713 9.059 38 2HG1 VAL 6 1HG21 VAL 6 4.071 2.561 8.674 39 3HG1 VAL 6 2HG22 VAL 6 2.596 3.477 9.014 40 1HG2 VAL 6 2HG12 VAL 6 2.886 3.851 5.339 41 2HG2 VAL 6 1HG11 VAL 6 2.741 4.713 6.878 42 3HG2 VAL 6 3HG13 VAL 6 4.251 3.875 6.478 43 H ILE 7 HN ILE 7 4.867 2.047 4.587 44 HA ILE 7 HA ILE 7 7.111 1.319 6.315 45 HB ILE 7 HB ILE 7 6.307 -0.756 4.992 46 1HG1 ILE 7 1HG11 ILE 7 8.492 -1.509 4.391 47 2HG1 ILE 7 2HG12 ILE 7 9.174 0.115 4.453 48 1HG2 ILE 7 3HG23 ILE 7 5.800 0.486 2.871 49 2HG2 ILE 7 1HG21 ILE 7 7.543 0.740 2.629 50 3HG2 ILE 7 2HG22 ILE 7 6.875 -0.892 2.619 51 1HD1 ILE 7 2HD12 ILE 7 7.873 -1.277 6.844 52 2HD1 ILE 7 1HD11 ILE 7 9.612 -1.321 6.516 53 3HD1 ILE 7 3HD13 ILE 7 8.848 0.211 6.884 54 H ASP 8 HN ASP 8 9.128 2.101 5.666 55 HA ASP 8 HA ASP 8 9.094 4.263 3.638 56 1HB ASP 8 2HB ASP 8 10.187 5.666 5.346 57 2HB ASP 8 1HB ASP 8 8.670 5.060 6.004 58 H SER 9 HN SER 9 10.267 1.523 3.349 59 HA SER 9 HA SER 9 12.965 2.446 2.672 60 1HB SER 9 2HB SER 9 13.400 1.734 4.906 61 2HB SER 9 1HB SER 9 12.566 0.173 4.623 62 HG SER 9 HG SER 9 14.944 0.190 4.433 63 H LYS 10 HN LYS 10 13.765 1.512 1.026 64 HA LYS 10 HA LYS 10 12.347 -0.033 -0.839 65 1HB LYS 10 2HB LYS 10 14.476 -0.083 -1.971 66 2HB LYS 10 1HB LYS 10 14.129 1.513 -1.248 67 1HG LYS 10 2HG LYS 10 16.311 1.449 -0.742 68 2HG LYS 10 1HG LYS 10 15.730 0.636 0.692 69 1HD LYS 10 1HD LYS 10 17.565 -0.646 -0.053 70 2HD LYS 10 2HD LYS 10 16.188 -1.592 -0.632 71 1HE LYS 10 2HE LYS 10 16.454 -0.583 -2.899 72 2HE LYS 10 1HE LYS 10 17.808 0.390 -2.298 73 1HZ LYS 10 3HZ LYS 10 18.971 -1.634 -1.826 74 2HZ LYS 10 1HZ LYS 10 17.707 -2.541 -2.373 75 3HZ LYS 10 2HZ LYS 10 18.538 -1.569 -3.413 76 H ALA 11 HN ALA 11 14.705 -0.861 1.576 77 HA ALA 11 HA ALA 11 15.164 -3.612 0.884 78 1HB ALA 11 2HB ALA 11 16.653 -2.343 2.397 79 2HB ALA 11 3HB ALA 11 15.362 -2.258 3.617 80 3HB ALA 11 1HB ALA 11 16.065 -3.827 3.174 81 H ALA 12 HN ALA 12 12.904 -2.062 3.170 82 HA ALA 12 HA ALA 12 11.688 -4.547 4.020 83 1HB ALA 12 2HB ALA 12 10.765 -1.670 4.218 84 2HB ALA 12 1HB ALA 12 10.028 -3.075 5.052 85 3HB ALA 12 3HB ALA 12 11.687 -2.571 5.438 86 H TRP 13 HN TRP 13 10.951 -2.107 1.480 87 HA TRP 13 HA TRP 13 8.475 -3.196 0.584 88 1HB TRP 13 2HB TRP 13 8.889 -1.243 -0.500 89 2HB TRP 13 1HB TRP 13 10.618 -1.464 -0.521 90 HD1 TRP 13 HD1 TRP 13 11.686 -2.939 -2.532 91 HE1 TRP 13 HE1 TRP 13 10.948 -3.245 -4.964 92 HE3 TRP 13 HE3 TRP 13 6.847 -1.264 -2.164 93 HZ2 TRP 13 HZ2 TRP 13 8.651 -2.787 -6.545 94 HZ3 TRP 13 HZ3 TRP 13 5.470 -1.080 -4.220 95 HH2 TRP 13 HH2 TRP 13 6.327 -1.883 -6.394 96 H ASP 14 HN ASP 14 11.843 -3.986 -0.380 97 HA ASP 14 HA ASP 14 11.239 -6.068 -2.187 98 1HB ASP 14 1HB ASP 14 13.458 -4.927 -1.848 99 2HB ASP 14 2HB ASP 14 13.693 -5.861 -0.377 100 H ALA 15 HN ALA 15 12.138 -6.221 1.226 101 HA ALA 15 HA ALA 15 11.920 -8.974 1.663 102 1HB ALA 15 1HB ALA 15 12.746 -7.360 3.358 103 2HB ALA 15 3HB ALA 15 11.083 -6.784 3.617 104 3HB ALA 15 2HB ALA 15 11.518 -8.453 4.025 105 H GLN 16 HN GLN 16 9.320 -6.569 2.122 106 HA GLN 16 HA GLN 16 7.217 -8.401 2.694 107 1HB GLN 16 2HB GLN 16 7.246 -5.611 1.505 108 2HB GLN 16 1HB GLN 16 5.747 -6.515 1.800 109 1HG GLN 16 1HG GLN 16 6.124 -6.711 4.123 110 2HG GLN 16 2HG GLN 16 7.793 -6.123 4.010 111 1HE2 GLN 16 2HE22 GLN 16 6.890 -2.688 3.522 112 2HE2 GLN 16 1HE21 GLN 16 8.058 -3.926 3.022 113 H LEU 17 HN LEU 17 8.101 -6.905 -0.467 114 HA LEU 17 HA LEU 17 6.307 -8.183 -2.148 115 1HB LEU 17 1HB LEU 17 7.784 -6.580 -3.063 116 2HB LEU 17 2HB LEU 17 9.205 -7.379 -2.426 117 HG LEU 17 HG LEU 17 8.940 -9.235 -4.064 118 1HD1 LEU 17 1HD21 LEU 17 6.508 -8.977 -4.528 119 2HD1 LEU 17 3HD23 LEU 17 6.835 -7.390 -5.276 120 3HD1 LEU 17 2HD22 LEU 17 7.472 -8.874 -6.010 121 1HD2 LEU 17 3HD13 LEU 17 9.166 -6.414 -5.185 122 2HD2 LEU 17 2HD12 LEU 17 10.476 -7.367 -4.454 123 3HD2 LEU 17 1HD11 LEU 17 9.739 -7.900 -5.973 124 H ALA 18 HN ALA 18 9.377 -9.560 -0.862 125 HA ALA 18 HA ALA 18 9.009 -12.084 -2.217 126 1HB ALA 18 2HB ALA 18 11.203 -11.202 -1.579 127 2HB ALA 18 1HB ALA 18 10.790 -11.331 0.141 128 3HB ALA 18 3HB ALA 18 10.913 -12.798 -0.854 129 H LYS 19 HN LYS 19 8.841 -11.374 1.364 130 HA LYS 19 HA LYS 19 7.792 -13.993 1.942 131 1HB LYS 19 1HB LYS 19 7.198 -13.116 4.134 132 2HB LYS 19 2HB LYS 19 8.861 -12.716 3.702 133 1HG LYS 19 1HG LYS 19 8.388 -10.445 3.438 134 2HG LYS 19 2HG LYS 19 6.649 -10.683 3.230 135 1HD LYS 19 2HD LYS 19 6.493 -11.360 5.627 136 2HD LYS 19 1HD LYS 19 8.248 -11.142 5.796 137 1HE LYS 19 1HE LYS 19 7.995 -8.731 5.188 138 2HE LYS 19 2HE LYS 19 6.240 -8.966 5.045 139 1HZ LYS 19 3HZ LYS 19 6.194 -9.556 7.354 140 2HZ LYS 19 1HZ LYS 19 7.823 -9.343 7.488 141 3HZ LYS 19 2HZ LYS 19 6.848 -8.057 7.154 142 H GLY 20 HN GLY 20 6.230 -11.123 0.752 143 1HA GLY 20 1HA GLY 20 3.582 -11.485 1.457 144 2HA GLY 20 2HA GLY 20 4.164 -10.783 -0.062 145 H LYS 21 HN LYS 21 5.598 -13.367 -0.771 146 HA LYS 21 HA LYS 21 5.270 -15.188 -2.023 147 1HB LYS 21 2HB LYS 21 4.230 -15.894 0.206 148 2HB LYS 21 1HB LYS 21 2.640 -15.664 -0.540 149 1HG LYS 21 2HG LYS 21 3.213 -17.304 -2.286 150 2HG LYS 21 1HG LYS 21 4.835 -17.497 -1.616 151 1HD LYS 21 1HD LYS 21 2.243 -18.137 -0.130 152 2HD LYS 21 2HD LYS 21 3.217 -19.325 -0.999 153 1HE LYS 21 1HE LYS 21 4.155 -17.721 1.437 154 2HE LYS 21 2HE LYS 21 3.667 -19.415 1.413 155 1HZ LYS 21 3HZ LYS 21 5.475 -19.860 -0.090 156 2HZ LYS 21 2HZ LYS 21 5.957 -18.284 -0.021 157 3HZ LYS 21 1HZ LYS 21 6.009 -19.219 1.332 158 H GLU 22 HN GLU 22 4.900 -13.039 -3.230 159 HA GLU 22 HA GLU 22 2.487 -12.033 -4.105 160 1HB GLU 22 1HB GLU 22 3.769 -10.985 -5.844 161 2HB GLU 22 2HB GLU 22 4.598 -10.857 -4.287 162 1HG GLU 22 1HG GLU 22 5.407 -13.026 -6.277 163 2HG GLU 22 2HG GLU 22 5.887 -11.359 -6.508 164 H GLU 23 HN GLU 23 4.180 -14.793 -5.407 165 HA GLU 23 HA GLU 23 3.830 -15.366 -7.840 166 1HB GLU 23 2HB GLU 23 2.626 -17.123 -5.644 167 2HB GLU 23 1HB GLU 23 2.833 -17.630 -7.324 168 1HG GLU 23 2HG GLU 23 4.735 -18.486 -6.377 169 2HG GLU 23 1HG GLU 23 5.339 -16.972 -7.048 170 H HIS 24 HN HIS 24 0.790 -15.564 -5.947 171 HA HIS 24 HA HIS 24 -0.676 -14.619 -8.337 172 1HB HIS 24 2HB HIS 24 -0.911 -17.017 -8.558 173 2HB HIS 24 1HB HIS 24 -1.378 -17.174 -6.858 174 HD2 HIS 24 HD2 HIS 24 -3.022 -14.285 -8.919 175 HE1 HIS 24 HE1 HIS 24 -5.951 -17.225 -8.143 176 HE2 HIS 24 HE2 HIS 24 -5.567 -14.861 -9.032 177 H LYS 25 HN LYS 25 -0.638 -12.656 -7.034 178 HA LYS 25 HA LYS 25 -3.125 -12.277 -5.796 179 1HB LYS 25 1HB LYS 25 -2.196 -11.607 -3.467 180 2HB LYS 25 2HB LYS 25 -2.481 -13.295 -3.821 181 1HG LYS 25 2HG LYS 25 0.073 -13.432 -4.382 182 2HG LYS 25 1HG LYS 25 0.156 -11.823 -3.689 183 1HD LYS 25 2HD LYS 25 0.741 -13.466 -2.018 184 2HD LYS 25 1HD LYS 25 -0.792 -12.755 -1.552 185 1HE LYS 25 2HE LYS 25 -0.700 -15.217 -1.200 186 2HE LYS 25 1HE LYS 25 -2.016 -14.757 -2.265 187 1HZ LYS 25 1HZ LYS 25 0.595 -15.663 -3.232 188 2HZ LYS 25 2HZ LYS 25 -0.717 -16.652 -3.034 189 3HZ LYS 25 3HZ LYS 25 -0.785 -15.416 -4.118 190 HA PRO 26 HA PRO 26 -1.922 -8.128 -6.805 191 1HB PRO 26 1HB PRO 26 -3.782 -6.636 -5.525 192 2HB PRO 26 2HB PRO 26 -4.173 -7.760 -6.856 193 1HG PRO 26 1HG PRO 26 -4.234 -8.364 -3.907 194 2HG PRO 26 2HG PRO 26 -5.631 -8.483 -5.007 195 1HD PRO 26 2HD PRO 26 -4.079 -10.614 -4.382 196 2HD PRO 26 1HD PRO 26 -4.494 -10.384 -6.106 197 H ILE 27 HN ILE 27 -0.045 -7.229 -6.225 198 HA ILE 27 HA ILE 27 0.434 -6.478 -3.400 199 HB ILE 27 HB ILE 27 2.130 -5.968 -5.859 200 1HG1 ILE 27 1HG11 ILE 27 2.486 -8.178 -3.806 201 2HG1 ILE 27 2HG12 ILE 27 1.964 -8.406 -5.487 202 1HG2 ILE 27 1HG21 ILE 27 2.420 -4.443 -3.826 203 2HG2 ILE 27 3HG23 ILE 27 2.853 -5.884 -2.892 204 3HG2 ILE 27 2HG22 ILE 27 3.863 -5.342 -4.250 205 1HD1 ILE 27 1HD11 ILE 27 4.128 -7.250 -6.202 206 2HD1 ILE 27 3HD13 ILE 27 4.645 -7.403 -4.503 207 3HD1 ILE 27 2HD12 ILE 27 4.300 -8.843 -5.464 208 H VAL 28 HN VAL 28 -0.947 -4.748 -2.950 209 HA VAL 28 HA VAL 28 -1.438 -2.735 -5.100 210 HB VAL 28 HB VAL 28 -2.925 -2.982 -2.460 211 1HG1 VAL 28 2HG12 VAL 28 -2.943 -0.785 -3.657 212 2HG1 VAL 28 3HG13 VAL 28 -3.478 -1.596 -5.136 213 3HG1 VAL 28 1HG11 VAL 28 -4.538 -1.567 -3.719 214 1HG2 VAL 28 2HG22 VAL 28 -3.694 -4.124 -5.178 215 2HG2 VAL 28 3HG23 VAL 28 -3.332 -5.062 -3.710 216 3HG2 VAL 28 1HG21 VAL 28 -4.754 -4.016 -3.759 217 H VAL 29 HN VAL 29 0.204 -1.271 -4.985 218 HA VAL 29 HA VAL 29 1.207 -0.551 -2.244 219 HB VAL 29 HB VAL 29 3.013 -1.356 -3.571 220 1HG1 VAL 29 1HG11 VAL 29 2.141 -0.974 -5.843 221 2HG1 VAL 29 2HG12 VAL 29 2.329 0.783 -5.604 222 3HG1 VAL 29 3HG13 VAL 29 3.750 -0.279 -5.623 223 1HG2 VAL 29 2HG22 VAL 29 3.008 1.695 -3.294 224 2HG2 VAL 29 1HG21 VAL 29 3.399 0.516 -2.032 225 3HG2 VAL 29 3HG23 VAL 29 4.443 0.691 -3.441 226 H ASP 30 HN ASP 30 0.847 1.365 -1.485 227 HA ASP 30 HA ASP 30 -0.483 3.459 -3.158 228 1HB ASP 30 2HB ASP 30 -1.866 2.783 -1.291 229 2HB ASP 30 1HB ASP 30 -0.538 2.943 -0.155 230 H PHE 31 HN PHE 31 1.314 4.492 -3.979 231 HA PHE 31 HA PHE 31 3.657 5.074 -2.252 232 1HB PHE 31 1HB PHE 31 2.943 5.775 -5.115 233 2HB PHE 31 2HB PHE 31 4.405 6.279 -4.309 234 HD1 PHE 31 HD2 PHE 31 6.124 4.584 -3.570 235 HD2 PHE 31 HD1 PHE 31 2.773 3.553 -6.084 236 HE1 PHE 31 HE2 PHE 31 7.410 2.686 -4.512 237 HE2 PHE 31 HE1 PHE 31 4.118 1.754 -7.117 238 HZ PHE 31 HZ PHE 31 6.432 1.308 -6.353 239 H THR 32 HN THR 32 2.969 6.505 -0.682 240 HA THR 32 HA THR 32 1.598 9.019 -1.530 241 HB THR 32 HB THR 32 0.041 7.367 -0.405 242 HG1 THR 32 HG1 THR 32 -0.800 8.973 0.907 243 1HG2 THR 32 2HG22 THR 32 1.661 6.436 1.298 244 2HG2 THR 32 3HG23 THR 32 1.644 8.015 2.122 245 3HG2 THR 32 1HG21 THR 32 0.161 7.059 2.007 246 H ALA 33 HN ALA 33 1.878 10.609 0.559 247 HA ALA 33 HA ALA 33 4.593 10.265 1.684 248 1HB ALA 33 1HB ALA 33 4.961 11.488 -0.483 249 2HB ALA 33 2HB ALA 33 3.924 12.790 0.107 250 3HB ALA 33 3HB ALA 33 5.421 12.411 0.952 251 H THR 34 HN THR 34 5.066 12.112 3.234 252 HA THR 34 HA THR 34 2.981 12.165 5.194 253 HB THR 34 HB THR 34 4.856 13.613 6.289 254 HG1 THR 34 HG1 THR 34 6.887 13.198 4.916 255 1HG2 THR 34 1HG21 THR 34 5.620 10.855 5.207 256 2HG2 THR 34 2HG22 THR 34 6.366 11.684 6.584 257 3HG2 THR 34 3HG23 THR 34 4.674 11.165 6.676 258 H TRP 35 HN TRP 35 4.859 14.774 3.839 259 HA TRP 35 HA TRP 35 3.407 16.966 4.637 260 1HB TRP 35 2HB TRP 35 4.565 18.058 2.543 261 2HB TRP 35 1HB TRP 35 5.494 17.442 3.898 262 HD1 TRP 35 HD1 TRP 35 7.263 15.637 3.491 263 HE1 TRP 35 HE1 TRP 35 8.185 14.402 1.469 264 HE3 TRP 35 HE3 TRP 35 3.756 17.051 0.024 265 HZ2 TRP 35 HZ2 TRP 35 7.462 13.992 -1.285 266 HZ3 TRP 35 HZ3 TRP 35 3.921 16.219 -2.300 267 HH2 TRP 35 HH2 TRP 35 5.760 14.687 -2.964 268 H CYS 36 HN CYS 36 2.495 15.009 1.817 269 HA CYS 36 HA CYS 36 0.877 17.139 0.639 270 1HB CYS 36 2HB CYS 36 0.083 15.324 -0.892 271 2HB CYS 36 1HB CYS 36 1.806 15.636 -0.861 272 H GLY 37 HN GLY 37 -0.060 17.349 2.968 273 1HA GLY 37 1HA GLY 37 -1.738 16.735 4.562 274 2HA GLY 37 2HA GLY 37 -2.515 17.705 3.320 275 HA PRO 38 HA PRO 38 -5.735 14.747 2.611 276 1HB PRO 38 2HB PRO 38 -4.614 14.554 -0.205 277 2HB PRO 38 1HB PRO 38 -6.332 14.582 0.298 278 1HG PRO 38 2HG PRO 38 -5.170 16.876 -0.535 279 2HG PRO 38 1HG PRO 38 -6.152 16.894 0.960 280 1HD PRO 38 1HD PRO 38 -3.148 16.840 0.695 281 2HD PRO 38 2HD PRO 38 -4.176 17.747 1.842 282 H CYS 39 HN CYS 39 -2.592 13.815 1.282 283 HA CYS 39 HA CYS 39 -2.699 11.072 0.964 284 1HB CYS 39 1HB CYS 39 -0.560 12.885 2.142 285 2HB CYS 39 2HB CYS 39 -0.301 11.191 1.809 286 H LYS 40 HN LYS 40 -2.370 12.917 4.003 287 HA LYS 40 HA LYS 40 -1.838 10.710 5.723 288 1HB LYS 40 1HB LYS 40 -3.130 13.423 6.315 289 2HB LYS 40 2HB LYS 40 -2.478 12.309 7.516 290 1HG LYS 40 2HG LYS 40 -0.199 12.585 6.486 291 2HG LYS 40 1HG LYS 40 -0.878 13.804 5.391 292 1HD LYS 40 2HD LYS 40 -1.707 15.086 7.409 293 2HD LYS 40 1HD LYS 40 -0.927 13.886 8.447 294 1HE LYS 40 1HE LYS 40 0.513 15.798 8.333 295 2HE LYS 40 2HE LYS 40 1.292 14.498 7.413 296 1HZ LYS 40 2HZ LYS 40 -0.308 16.669 6.233 297 2HZ LYS 40 3HZ LYS 40 1.338 16.643 6.315 298 3HZ LYS 40 1HZ LYS 40 0.553 15.511 5.421 299 H MET 41 HN MET 41 -4.826 11.915 4.322 300 HA MET 41 HA MET 41 -6.558 10.420 6.211 301 1HB MET 41 2HB MET 41 -7.258 12.214 3.839 302 2HB MET 41 1HB MET 41 -8.388 11.425 4.941 303 1HG MET 41 1HG MET 41 -8.246 13.630 5.690 304 2HG MET 41 2HG MET 41 -7.296 12.694 6.847 305 1HE MET 41 3HE MET 41 -6.369 14.956 7.824 306 2HE MET 41 2HE MET 41 -5.599 16.223 6.838 307 3HE MET 41 1HE MET 41 -7.334 15.875 6.639 308 H ILE 42 HN ILE 42 -5.530 10.549 2.832 309 HA ILE 42 HA ILE 42 -7.114 8.423 1.812 310 HB ILE 42 HB ILE 42 -4.435 9.556 0.967 311 1HG1 ILE 42 2HG12 ILE 42 -7.207 9.892 -0.276 312 2HG1 ILE 42 1HG11 ILE 42 -6.640 10.966 0.995 313 1HG2 ILE 42 2HG22 ILE 42 -6.261 7.562 -0.448 314 2HG2 ILE 42 1HG21 ILE 42 -4.958 8.453 -1.255 315 3HG2 ILE 42 3HG23 ILE 42 -4.567 7.328 0.047 316 1HD1 ILE 42 1HD11 ILE 42 -4.629 11.526 -0.421 317 2HD1 ILE 42 3HD13 ILE 42 -5.439 10.669 -1.755 318 3HD1 ILE 42 2HD12 ILE 42 -6.197 12.088 -1.015 319 H ALA 43 HN ALA 43 -3.887 8.361 3.403 320 HA ALA 43 HA ALA 43 -3.376 5.612 3.117 321 1HB ALA 43 2HB ALA 43 -2.592 7.565 5.320 322 2HB ALA 43 1HB ALA 43 -1.987 5.896 5.199 323 3HB ALA 43 3HB ALA 43 -1.675 7.064 3.902 324 HA PRO 44 HA PRO 44 -5.717 4.466 7.146 325 1HB PRO 44 1HB PRO 44 -7.558 6.241 8.223 326 2HB PRO 44 2HB PRO 44 -5.880 5.997 8.782 327 1HG PRO 44 1HG PRO 44 -6.939 8.114 6.941 328 2HG PRO 44 2HG PRO 44 -5.768 8.308 8.267 329 1HD PRO 44 2HD PRO 44 -4.887 8.121 5.703 330 2HD PRO 44 1HD PRO 44 -4.021 7.313 7.036 331 H LEU 45 HN LEU 45 -7.343 6.513 4.731 332 HA LEU 45 HA LEU 45 -9.826 5.054 4.736 333 1HB LEU 45 1HB LEU 45 -8.343 6.720 2.709 334 2HB LEU 45 2HB LEU 45 -9.647 5.700 2.135 335 HG LEU 45 HG LEU 45 -10.007 7.618 4.469 336 1HD1 LEU 45 3HD13 LEU 45 -10.423 8.211 1.511 337 2HD1 LEU 45 2HD12 LEU 45 -10.964 9.242 2.852 338 3HD1 LEU 45 1HD11 LEU 45 -9.236 8.975 2.592 339 1HD2 LEU 45 3HD23 LEU 45 -11.979 6.408 2.466 340 2HD2 LEU 45 1HD21 LEU 45 -11.795 5.895 4.155 341 3HD2 LEU 45 2HD22 LEU 45 -12.395 7.516 3.788 342 H PHE 46 HN PHE 46 -6.926 4.669 2.664 343 HA PHE 46 HA PHE 46 -7.661 2.185 1.469 344 1HB PHE 46 2HB PHE 46 -5.986 3.623 0.538 345 2HB PHE 46 1HB PHE 46 -5.045 3.590 2.007 346 HD1 PHE 46 HD2 PHE 46 -6.265 1.291 -0.771 347 HD2 PHE 46 HD1 PHE 46 -3.228 2.140 2.141 348 HE1 PHE 46 HE2 PHE 46 -4.615 0.051 -2.128 349 HE2 PHE 46 HE1 PHE 46 -1.592 0.765 0.827 350 HZ PHE 46 HZ PHE 46 -2.213 -0.169 -1.325 351 H GLU 47 HN GLU 47 -6.085 2.905 4.600 352 HA GLU 47 HA GLU 47 -5.285 0.339 5.332 353 1HB GLU 47 1HB GLU 47 -4.937 2.478 6.634 354 2HB GLU 47 2HB GLU 47 -6.612 2.312 7.198 355 1HG GLU 47 2HG GLU 47 -5.307 1.518 8.943 356 2HG GLU 47 1HG GLU 47 -6.077 0.110 8.225 357 H THR 48 HN THR 48 -8.603 1.715 5.249 358 HA THR 48 HA THR 48 -9.902 -0.326 6.732 359 HB THR 48 HB THR 48 -11.126 1.048 4.300 360 HG1 THR 48 HG1 THR 48 -10.185 2.694 5.380 361 1HG2 THR 48 2HG22 THR 48 -12.500 -0.633 5.528 362 2HG2 THR 48 3HG23 THR 48 -12.233 0.269 7.037 363 3HG2 THR 48 1HG21 THR 48 -13.144 1.012 5.707 364 H LEU 49 HN LEU 49 -9.288 -0.012 3.200 365 HA LEU 49 HA LEU 49 -10.372 -2.570 2.479 366 1HB LEU 49 2HB LEU 49 -8.269 -0.810 1.159 367 2HB LEU 49 1HB LEU 49 -8.955 -2.256 0.409 368 HG LEU 49 HG LEU 49 -10.761 -0.008 1.339 369 1HD1 LEU 49 2HD22 LEU 49 -9.062 0.986 -0.169 370 2HD1 LEU 49 1HD21 LEU 49 -9.402 -0.266 -1.380 371 3HD1 LEU 49 3HD23 LEU 49 -10.650 0.918 -0.941 372 1HD2 LEU 49 2HD12 LEU 49 -11.757 -2.241 0.739 373 2HD2 LEU 49 1HD11 LEU 49 -12.277 -0.937 -0.326 374 3HD2 LEU 49 3HD13 LEU 49 -11.036 -2.078 -0.879 375 H SER 50 HN SER 50 -7.153 -1.439 3.477 376 HA SER 50 HA SER 50 -5.725 -3.838 3.077 377 1HB SER 50 2HB SER 50 -5.224 -1.968 5.408 378 2HB SER 50 1HB SER 50 -4.082 -2.970 4.533 379 HG SER 50 HG SER 50 -5.444 -0.839 3.262 380 H ASN 51 HN ASN 51 -7.471 -2.771 6.002 381 HA ASN 51 HA ASN 51 -7.036 -5.074 7.599 382 1HB ASN 51 2HB ASN 51 -7.949 -3.126 8.618 383 2HB ASN 51 1HB ASN 51 -9.260 -2.994 7.450 384 1HD2 ASN 51 1HD21 ASN 51 -11.408 -5.286 9.109 385 2HD2 ASN 51 2HD22 ASN 51 -11.165 -4.431 7.600 386 H ASP 52 HN ASP 52 -9.679 -4.275 5.322 387 HA ASP 52 HA ASP 52 -11.187 -6.637 5.784 388 1HB ASP 52 2HB ASP 52 -11.085 -4.878 3.290 389 2HB ASP 52 1HB ASP 52 -12.376 -6.006 3.725 390 H TYR 53 HN TYR 53 -9.062 -5.894 2.980 391 HA TYR 53 HA TYR 53 -9.180 -8.674 1.963 392 1HB TYR 53 1HB TYR 53 -7.986 -6.089 1.074 393 2HB TYR 53 2HB TYR 53 -7.713 -7.613 0.222 394 HD1 TYR 53 HD2 TYR 53 -9.559 -8.764 -0.938 395 HD2 TYR 53 HD1 TYR 53 -9.968 -4.810 0.730 396 HE1 TYR 53 HE2 TYR 53 -11.374 -8.270 -2.543 397 HE2 TYR 53 HE1 TYR 53 -11.752 -4.314 -0.890 398 HH TYR 53 HH TYR 53 -13.196 -5.180 -2.459 399 H ALA 54 HN ALA 54 -8.192 -8.982 4.407 400 HA ALA 54 HA ALA 54 -5.293 -8.626 4.504 401 1HB ALA 54 1HB ALA 54 -6.700 -8.658 6.530 402 2HB ALA 54 3HB ALA 54 -7.157 -10.344 6.201 403 3HB ALA 54 2HB ALA 54 -5.473 -9.933 6.596 404 H GLY 55 HN GLY 55 -3.918 -10.631 5.039 405 1HA GLY 55 1HA GLY 55 -3.039 -12.692 4.597 406 2HA GLY 55 2HA GLY 55 -4.637 -13.206 4.039 407 H LYS 56 HN LYS 56 -5.220 -12.168 1.776 408 HA LYS 56 HA LYS 56 -3.150 -13.213 -0.042 409 1HB LYS 56 1HB LYS 56 -5.469 -13.881 -0.287 410 2HB LYS 56 2HB LYS 56 -5.981 -12.196 -0.517 411 1HG LYS 56 1HG LYS 56 -4.549 -12.126 -2.603 412 2HG LYS 56 2HG LYS 56 -4.179 -13.844 -2.340 413 1HD LYS 56 2HD LYS 56 -6.578 -14.393 -2.529 414 2HD LYS 56 1HD LYS 56 -6.971 -12.680 -2.712 415 1HE LYS 56 2HE LYS 56 -7.006 -13.703 -4.903 416 2HE LYS 56 1HE LYS 56 -5.658 -12.572 -4.827 417 1HZ LYS 56 1HZ LYS 56 -5.454 -15.487 -4.489 418 2HZ LYS 56 2HZ LYS 56 -5.127 -14.660 -5.871 419 3HZ LYS 56 3HZ LYS 56 -4.184 -14.435 -4.546 420 H VAL 57 HN VAL 57 -5.035 -10.136 0.180 421 HA VAL 57 HA VAL 57 -3.434 -8.962 -1.944 422 HB VAL 57 HB VAL 57 -5.523 -7.844 -0.087 423 1HG1 VAL 57 2HG22 VAL 57 -4.309 -6.059 -1.324 424 2HG1 VAL 57 1HG21 VAL 57 -4.933 -6.732 -2.837 425 3HG1 VAL 57 3HG23 VAL 57 -6.058 -6.145 -1.632 426 1HG2 VAL 57 2HG12 VAL 57 -5.900 -9.319 -2.697 427 2HG2 VAL 57 1HG11 VAL 57 -6.619 -9.663 -1.119 428 3HG2 VAL 57 3HG13 VAL 57 -7.131 -8.240 -2.022 429 H ILE 58 HN ILE 58 -1.663 -7.622 -1.732 430 HA ILE 58 HA ILE 58 -0.709 -7.134 1.091 431 HB ILE 58 HB ILE 58 0.940 -7.167 -1.458 432 1HG1 ILE 58 2HG12 ILE 58 1.780 -9.341 -0.092 433 2HG1 ILE 58 1HG11 ILE 58 0.079 -9.386 0.376 434 1HG2 ILE 58 1HG21 ILE 58 1.822 -5.859 0.509 435 2HG2 ILE 58 2HG22 ILE 58 1.789 -7.358 1.445 436 3HG2 ILE 58 3HG23 ILE 58 2.831 -7.224 0.020 437 1HD1 ILE 58 3HD13 ILE 58 1.201 -9.386 -2.458 438 2HD1 ILE 58 2HD12 ILE 58 0.541 -10.767 -1.579 439 3HD1 ILE 58 1HD11 ILE 58 -0.527 -9.439 -2.069 440 H PHE 59 HN PHE 59 -1.452 -5.176 1.729 441 HA PHE 59 HA PHE 59 -1.626 -2.910 -0.157 442 1HB PHE 59 1HB PHE 59 -2.505 -3.210 2.705 443 2HB PHE 59 2HB PHE 59 -2.589 -1.730 1.786 444 HD1 PHE 59 HD2 PHE 59 -3.659 -5.350 1.536 445 HD2 PHE 59 HD1 PHE 59 -4.589 -1.216 0.751 446 HE1 PHE 59 HE2 PHE 59 -5.895 -5.959 0.877 447 HE2 PHE 59 HE1 PHE 59 -6.707 -1.894 -0.325 448 HZ PHE 59 HZ PHE 59 -7.455 -4.268 -0.126 449 H LEU 60 HN LEU 60 0.572 -2.438 -0.509 450 HA LEU 60 HA LEU 60 2.356 -1.911 1.814 451 1HB LEU 60 1HB LEU 60 2.746 -1.746 -1.198 452 2HB LEU 60 2HB LEU 60 4.013 -1.425 0.008 453 HG LEU 60 HG LEU 60 2.576 -4.040 -0.571 454 1HD1 LEU 60 2HD22 LEU 60 4.307 -3.349 -2.205 455 2HD1 LEU 60 1HD21 LEU 60 5.492 -3.212 -0.889 456 3HD1 LEU 60 3HD23 LEU 60 4.797 -4.792 -1.300 457 1HD2 LEU 60 2HD12 LEU 60 4.683 -3.406 1.553 458 2HD2 LEU 60 1HD11 LEU 60 3.033 -4.005 1.846 459 3HD2 LEU 60 3HD13 LEU 60 4.212 -5.042 1.051 460 H LYS 61 HN LYS 61 1.657 -0.042 2.900 461 HA LYS 61 HA LYS 61 1.091 2.406 1.292 462 1HB LYS 61 2HB LYS 61 1.152 1.829 4.255 463 2HB LYS 61 1HB LYS 61 0.926 3.449 3.584 464 1HG LYS 61 2HG LYS 61 -1.086 2.790 2.506 465 2HG LYS 61 1HG LYS 61 -0.810 1.066 2.847 466 1HD LYS 61 1HD LYS 61 -1.161 3.116 5.057 467 2HD LYS 61 2HD LYS 61 -2.533 2.268 4.347 468 1HE LYS 61 2HE LYS 61 -0.184 0.889 5.732 469 2HE LYS 61 1HE LYS 61 -1.770 1.201 6.417 470 1HZ LYS 61 1HZ LYS 61 -2.713 -0.175 4.659 471 2HZ LYS 61 2HZ LYS 61 -1.193 -0.544 4.129 472 3HZ LYS 61 3HZ LYS 61 -1.674 -0.992 5.638 473 H VAL 62 HN VAL 62 2.969 2.914 0.187 474 HA VAL 62 HA VAL 62 5.570 2.796 1.633 475 HB VAL 62 HB VAL 62 4.808 2.940 -1.292 476 1HG1 VAL 62 2HG12 VAL 62 7.551 3.465 -0.049 477 2HG1 VAL 62 3HG13 VAL 62 7.280 3.060 -1.753 478 3HG1 VAL 62 1HG11 VAL 62 6.638 4.569 -1.101 479 1HG2 VAL 62 3HG23 VAL 62 4.996 0.743 -0.067 480 2HG2 VAL 62 1HG21 VAL 62 6.201 0.930 -1.362 481 3HG2 VAL 62 2HG22 VAL 62 6.677 1.150 0.331 482 H ASP 63 HN ASP 63 6.361 4.506 2.550 483 HA ASP 63 HA ASP 63 5.261 7.167 2.104 484 1HB ASP 63 1HB ASP 63 5.913 6.455 4.345 485 2HB ASP 63 2HB ASP 63 7.580 6.184 3.806 486 H VAL 64 HN VAL 64 5.713 7.673 0.006 487 HA VAL 64 HA VAL 64 8.056 7.534 -1.515 488 HB VAL 64 HB VAL 64 5.840 9.623 -1.385 489 1HG1 VAL 64 1HG11 VAL 64 7.968 9.280 -3.520 490 2HG1 VAL 64 3HG13 VAL 64 6.463 10.200 -3.734 491 3HG1 VAL 64 2HG12 VAL 64 7.647 10.724 -2.535 492 1HG2 VAL 64 1HG21 VAL 64 5.178 7.249 -1.965 493 2HG2 VAL 64 3HG23 VAL 64 4.856 8.438 -3.234 494 3HG2 VAL 64 2HG22 VAL 64 6.261 7.354 -3.358 495 H ASP 65 HN ASP 65 7.143 9.837 1.041 496 HA ASP 65 HA ASP 65 9.036 11.865 0.662 497 1HB ASP 65 2HB ASP 65 7.150 11.738 2.395 498 2HB ASP 65 1HB ASP 65 8.221 10.705 3.357 499 H ALA 66 HN ALA 66 9.362 8.615 2.066 500 HA ALA 66 HA ALA 66 12.221 9.031 2.746 501 1HB ALA 66 1HB ALA 66 10.308 6.713 3.241 502 2HB ALA 66 3HB ALA 66 11.991 6.819 3.799 503 3HB ALA 66 2HB ALA 66 10.776 7.961 4.413 504 H VAL 67 HN VAL 67 10.191 6.590 0.967 505 HA VAL 67 HA VAL 67 12.650 5.641 -0.365 506 HB VAL 67 HB VAL 67 9.863 4.571 -0.900 507 1HG1 VAL 67 1HG21 VAL 67 11.960 3.907 -2.238 508 2HG1 VAL 67 2HG22 VAL 67 12.620 3.253 -0.742 509 3HG1 VAL 67 3HG23 VAL 67 11.132 2.558 -1.419 510 1HG2 VAL 67 1HG11 VAL 67 11.738 3.911 1.399 511 2HG2 VAL 67 3HG13 VAL 67 10.046 4.458 1.525 512 3HG2 VAL 67 2HG12 VAL 67 10.410 2.854 0.867 513 H ALA 68 HN ALA 68 12.584 8.067 -1.142 514 HA ALA 68 HA ALA 68 11.006 8.857 -3.336 515 1HB ALA 68 1HB ALA 68 12.488 10.368 -2.083 516 2HB ALA 68 3HB ALA 68 13.921 9.532 -2.725 517 3HB ALA 68 2HB ALA 68 12.849 10.432 -3.821 518 H ALA 69 HN ALA 69 14.073 7.018 -3.295 519 HA ALA 69 HA ALA 69 14.614 6.914 -6.038 520 1HB ALA 69 3HB ALA 69 15.150 4.803 -3.899 521 2HB ALA 69 1HB ALA 69 15.930 4.897 -5.493 522 3HB ALA 69 2HB ALA 69 16.186 6.189 -4.306 523 H VAL 70 HN VAL 70 12.855 4.390 -4.129 524 HA VAL 70 HA VAL 70 12.216 2.801 -6.419 525 HB VAL 70 HB VAL 70 10.709 2.980 -3.780 526 1HG1 VAL 70 1HG21 VAL 70 10.800 0.759 -5.853 527 2HG1 VAL 70 2HG22 VAL 70 10.000 0.682 -4.270 528 3HG1 VAL 70 3HG23 VAL 70 9.407 1.800 -5.502 529 1HG2 VAL 70 3HG13 VAL 70 13.159 2.420 -3.485 530 2HG2 VAL 70 1HG11 VAL 70 12.112 1.034 -3.135 531 3HG2 VAL 70 2HG12 VAL 70 12.975 1.134 -4.687 532 H ALA 71 HN ALA 71 10.465 5.400 -4.697 533 HA ALA 71 HA ALA 71 8.066 5.301 -6.185 534 1HB ALA 71 3HB ALA 71 8.440 6.648 -4.135 535 2HB ALA 71 2HB ALA 71 9.438 7.785 -5.062 536 3HB ALA 71 1HB ALA 71 7.719 7.602 -5.442 537 H GLU 72 HN GLU 72 10.967 7.423 -6.924 538 HA GLU 72 HA GLU 72 9.755 8.328 -9.370 539 1HB GLU 72 2HB GLU 72 11.850 9.355 -9.886 540 2HB GLU 72 1HB GLU 72 11.433 9.607 -8.199 541 1HG GLU 72 2HG GLU 72 13.729 9.235 -8.163 542 2HG GLU 72 1HG GLU 72 13.045 7.719 -7.613 543 H ALA 73 HN ALA 73 12.005 5.599 -8.663 544 HA ALA 73 HA ALA 73 12.474 4.860 -11.357 545 1HB ALA 73 2HB ALA 73 13.720 3.946 -9.432 546 2HB ALA 73 3HB ALA 73 12.264 3.089 -8.879 547 3HB ALA 73 1HB ALA 73 13.024 2.646 -10.420 548 H ALA 74 HN ALA 74 9.860 3.891 -9.104 549 HA ALA 74 HA ALA 74 8.476 2.135 -10.896 550 1HB ALA 74 1HB ALA 74 7.625 3.637 -8.398 551 2HB ALA 74 2HB ALA 74 6.603 2.463 -9.259 552 3HB ALA 74 3HB ALA 74 8.140 1.954 -8.542 553 H GLY 75 HN GLY 75 8.438 5.630 -10.384 554 1HA GLY 75 1HA GLY 75 7.997 7.100 -12.230 555 2HA GLY 75 2HA GLY 75 6.795 5.964 -12.863 556 H ILE 76 HN ILE 76 7.189 7.141 -9.501 557 HA ILE 76 HA ILE 76 4.351 7.914 -9.402 558 HB ILE 76 HB ILE 76 6.654 7.816 -7.441 559 1HG1 ILE 76 2HG12 ILE 76 5.554 6.039 -6.437 560 2HG1 ILE 76 1HG11 ILE 76 3.971 6.486 -7.082 561 1HG2 ILE 76 1HG21 ILE 76 3.855 8.919 -6.951 562 2HG2 ILE 76 2HG22 ILE 76 4.982 8.432 -5.671 563 3HG2 ILE 76 3HG23 ILE 76 5.401 9.770 -6.738 564 1HD1 ILE 76 1HD11 ILE 76 6.171 5.223 -8.721 565 2HD1 ILE 76 2HD12 ILE 76 4.786 4.386 -8.030 566 3HD1 ILE 76 3HD13 ILE 76 4.523 5.605 -9.270 567 H THR 77 HN THR 77 3.566 9.964 -9.395 568 HA THR 77 HA THR 77 5.440 12.279 -9.460 569 HB THR 77 HB THR 77 4.013 13.193 -11.342 570 HG1 THR 77 HG1 THR 77 3.306 10.476 -11.756 571 1HG2 THR 77 3HG23 THR 77 6.276 12.247 -11.772 572 2HG2 THR 77 1HG21 THR 77 5.560 10.644 -12.034 573 3HG2 THR 77 2HG22 THR 77 5.166 11.982 -13.130 574 H ALA 78 HN ALA 78 1.998 12.067 -10.161 575 HA ALA 78 HA ALA 78 1.349 13.997 -8.067 576 1HB ALA 78 2HB ALA 78 -0.404 12.363 -9.938 577 2HB ALA 78 3HB ALA 78 -0.970 13.671 -8.878 578 3HB ALA 78 1HB ALA 78 0.167 14.022 -10.196 579 H MET 79 HN MET 79 2.318 12.673 -6.327 580 HA MET 79 HA MET 79 1.132 10.303 -5.401 581 1HB MET 79 1HB MET 79 2.131 10.751 -3.249 582 2HB MET 79 2HB MET 79 3.256 11.164 -4.540 583 1HG MET 79 1HG MET 79 1.585 13.211 -3.011 584 2HG MET 79 2HG MET 79 3.217 12.719 -2.592 585 1HE MET 79 3HE MET 79 1.634 15.611 -3.480 586 2HE MET 79 2HE MET 79 2.269 16.243 -5.016 587 3HE MET 79 1HE MET 79 1.062 14.941 -5.029 588 HA PRO 80 HA PRO 80 0.265 9.299 -3.520 589 1HB PRO 80 2HB PRO 80 -1.996 7.895 -2.970 590 2HB PRO 80 1HB PRO 80 -1.239 9.033 -1.822 591 1HG PRO 80 1HG PRO 80 -3.636 9.504 -3.572 592 2HG PRO 80 2HG PRO 80 -3.315 10.011 -1.879 593 1HD PRO 80 1HD PRO 80 -2.963 11.627 -4.164 594 2HD PRO 80 2HD PRO 80 -2.213 11.920 -2.580 595 H THR 81 HN THR 81 0.544 7.518 -4.804 596 HA THR 81 HA THR 81 -1.063 7.271 -7.328 597 HB THR 81 HB THR 81 1.932 7.291 -6.907 598 HG1 THR 81 HG1 THR 81 0.407 9.230 -7.467 599 1HG2 THR 81 1HG21 THR 81 0.332 6.394 -9.343 600 2HG2 THR 81 2HG22 THR 81 2.061 6.800 -9.378 601 3HG2 THR 81 3HG23 THR 81 1.498 5.435 -8.400 602 H PHE 82 HN PHE 82 -2.014 5.318 -7.321 603 HA PHE 82 HA PHE 82 -0.995 3.191 -5.551 604 1HB PHE 82 1HB PHE 82 -3.644 3.639 -6.927 605 2HB PHE 82 2HB PHE 82 -3.272 2.208 -6.017 606 HD1 PHE 82 HD1 PHE 82 -3.846 5.891 -5.769 607 HD2 PHE 82 HD2 PHE 82 -3.228 2.213 -3.584 608 HE1 PHE 82 HE1 PHE 82 -4.533 7.011 -3.679 609 HE2 PHE 82 HE2 PHE 82 -4.017 3.340 -1.514 610 HZ PHE 82 HZ PHE 82 -4.517 5.732 -1.521 611 H HIS 83 HN HIS 83 -0.101 1.357 -6.450 612 HA HIS 83 HA HIS 83 -0.503 0.805 -9.383 613 1HB HIS 83 2HB HIS 83 1.978 0.497 -7.747 614 2HB HIS 83 1HB HIS 83 1.745 -0.252 -9.323 615 HD2 HIS 83 HD2 HIS 83 0.618 3.340 -9.706 616 HE1 HIS 83 HE1 HIS 83 4.726 3.215 -10.670 617 HE2 HIS 83 HE2 HIS 83 2.606 4.617 -10.822 618 H VAL 84 HN VAL 84 -0.816 -1.413 -9.838 619 HA VAL 84 HA VAL 84 -1.116 -3.219 -7.468 620 HB VAL 84 HB VAL 84 -2.558 -3.444 -10.130 621 1HG1 VAL 84 2HG22 VAL 84 -2.321 -5.509 -8.763 622 2HG1 VAL 84 1HG21 VAL 84 -3.012 -4.664 -7.368 623 3HG1 VAL 84 3HG23 VAL 84 -4.001 -4.954 -8.811 624 1HG2 VAL 84 3HG13 VAL 84 -3.528 -2.145 -7.554 625 2HG2 VAL 84 2HG12 VAL 84 -3.332 -1.352 -9.135 626 3HG2 VAL 84 1HG11 VAL 84 -4.561 -2.603 -8.925 627 H TYR 85 HN TYR 85 1.012 -4.126 -7.489 628 HA TYR 85 HA TYR 85 2.037 -5.144 -10.093 629 1HB TYR 85 2HB TYR 85 3.370 -5.105 -7.385 630 2HB TYR 85 1HB TYR 85 4.018 -5.859 -8.820 631 HD1 TYR 85 HD2 TYR 85 2.828 -2.582 -7.446 632 HD2 TYR 85 HD1 TYR 85 5.521 -4.602 -10.129 633 HE1 TYR 85 HE2 TYR 85 3.941 -0.430 -7.989 634 HE2 TYR 85 HE1 TYR 85 6.527 -2.420 -10.759 635 HH TYR 85 HH TYR 85 4.985 0.634 -9.782 636 H LYS 86 HN LYS 86 -0.074 -6.412 -10.053 637 HA LYS 86 HA LYS 86 -0.395 -8.566 -8.199 638 1HB LYS 86 1HB LYS 86 -2.181 -7.613 -9.721 639 2HB LYS 86 2HB LYS 86 -1.396 -8.432 -11.081 640 1HG LYS 86 2HG LYS 86 -1.836 -10.622 -10.041 641 2HG LYS 86 1HG LYS 86 -2.497 -9.829 -8.598 642 1HD LYS 86 2HD LYS 86 -4.246 -8.763 -10.040 643 2HD LYS 86 1HD LYS 86 -3.649 -9.684 -11.422 644 1HE LYS 86 2HE LYS 86 -4.739 -10.898 -8.822 645 2HE LYS 86 1HE LYS 86 -5.661 -10.678 -10.310 646 1HZ LYS 86 1HZ LYS 86 -4.117 -12.122 -11.421 647 2HZ LYS 86 3HZ LYS 86 -3.300 -12.385 -10.014 648 3HZ LYS 86 2HZ LYS 86 -4.883 -12.861 -10.164 649 H ASP 87 HN ASP 87 0.333 -10.601 -8.149 650 HA ASP 87 HA ASP 87 1.451 -12.512 -8.596 651 1HB ASP 87 2HB ASP 87 1.947 -11.555 -11.450 652 2HB ASP 87 1HB ASP 87 2.148 -13.177 -10.799 653 H GLY 88 HN GLY 88 3.034 -9.855 -10.274 654 1HA GLY 88 1HA GLY 88 5.044 -9.264 -8.454 655 2HA GLY 88 2HA GLY 88 5.730 -10.530 -9.498 656 H VAL 89 HN VAL 89 3.329 -8.213 -10.872 657 HA VAL 89 HA VAL 89 5.420 -6.450 -11.872 658 HB VAL 89 HB VAL 89 5.661 -8.373 -13.376 659 1HG1 VAL 89 2HG12 VAL 89 3.370 -9.344 -13.195 660 2HG1 VAL 89 3HG13 VAL 89 2.736 -7.992 -14.157 661 3HG1 VAL 89 1HG11 VAL 89 3.896 -9.123 -14.869 662 1HG2 VAL 89 2HG22 VAL 89 5.959 -6.072 -14.254 663 2HG2 VAL 89 1HG21 VAL 89 5.428 -7.225 -15.491 664 3HG2 VAL 89 3HG23 VAL 89 4.268 -6.073 -14.806 665 H LYS 90 HN LYS 90 4.587 -4.517 -12.301 666 HA LYS 90 HA LYS 90 2.206 -3.480 -11.506 667 1HB LYS 90 1HB LYS 90 4.376 -2.375 -12.345 668 2HB LYS 90 2HB LYS 90 3.678 -2.475 -13.956 669 1HG LYS 90 1HG LYS 90 1.693 -1.136 -13.069 670 2HG LYS 90 2HG LYS 90 2.489 -1.087 -11.500 671 1HD LYS 90 1HD LYS 90 2.914 0.997 -12.643 672 2HD LYS 90 2HD LYS 90 4.426 0.118 -12.449 673 1HE LYS 90 1HE LYS 90 4.128 1.230 -14.683 674 2HE LYS 90 2HE LYS 90 4.443 -0.504 -14.806 675 1HZ LYS 90 2HZ LYS 90 1.765 0.713 -14.913 676 2HZ LYS 90 3HZ LYS 90 2.653 0.266 -16.235 677 3HZ LYS 90 1HZ LYS 90 2.140 -0.872 -15.162 678 H ALA 91 HN ALA 91 0.424 -4.808 -12.007 679 HA ALA 91 HA ALA 91 -0.287 -5.413 -14.782 680 1HB ALA 91 1HB ALA 91 -0.600 -7.046 -12.957 681 2HB ALA 91 3HB ALA 91 -1.725 -5.932 -12.143 682 3HB ALA 91 2HB ALA 91 -2.148 -6.625 -13.723 683 H ASP 92 HN ASP 92 -1.179 -3.052 -12.308 684 HA ASP 92 HA ASP 92 -2.840 -1.602 -14.219 685 1HB ASP 92 2HB ASP 92 -4.192 -3.478 -12.953 686 2HB ASP 92 1HB ASP 92 -4.142 -2.374 -11.577 687 H ASP 93 HN ASP 93 -3.621 0.489 -13.083 688 HA ASP 93 HA ASP 93 -1.993 1.347 -10.802 689 1HB ASP 93 1HB ASP 93 -1.740 2.778 -13.476 690 2HB ASP 93 2HB ASP 93 -1.013 3.275 -11.948 691 H LEU 94 HN LEU 94 -2.646 3.504 -10.115 692 HA LEU 94 HA LEU 94 -5.048 4.762 -11.208 693 1HB LEU 94 2HB LEU 94 -6.024 2.922 -10.079 694 2HB LEU 94 1HB LEU 94 -5.008 3.083 -8.655 695 HG LEU 94 HG LEU 94 -7.417 3.693 -8.508 696 1HD1 LEU 94 1HD21 LEU 94 -5.751 4.419 -6.816 697 2HD1 LEU 94 3HD23 LEU 94 -5.691 6.013 -7.605 698 3HD1 LEU 94 2HD22 LEU 94 -7.197 5.400 -6.915 699 1HD2 LEU 94 3HD13 LEU 94 -7.423 4.965 -10.722 700 2HD2 LEU 94 1HD11 LEU 94 -8.225 5.793 -9.377 701 3HD2 LEU 94 2HD12 LEU 94 -6.614 6.302 -9.882 702 H VAL 95 HN VAL 95 -4.473 6.917 -11.024 703 HA VAL 95 HA VAL 95 -2.577 7.681 -8.890 704 HB VAL 95 HB VAL 95 -3.556 9.283 -11.246 705 1HG1 VAL 95 3HG23 VAL 95 -1.226 9.704 -9.348 706 2HG1 VAL 95 1HG21 VAL 95 -1.429 10.555 -10.891 707 3HG1 VAL 95 2HG22 VAL 95 -2.614 10.789 -9.613 708 1HG2 VAL 95 2HG12 VAL 95 -1.015 7.632 -10.862 709 2HG2 VAL 95 3HG13 VAL 95 -2.312 7.258 -12.023 710 3HG2 VAL 95 1HG11 VAL 95 -1.319 8.707 -12.244 711 H GLY 96 HN GLY 96 -2.934 9.489 -7.617 712 1HA GLY 96 1HA GLY 96 -4.085 11.149 -6.547 713 2HA GLY 96 2HA GLY 96 -5.485 10.913 -7.612 714 H ALA 97 HN ALA 97 -6.461 11.259 -5.326 715 HA ALA 97 HA ALA 97 -6.462 9.146 -3.399 716 1HB ALA 97 1HB ALA 97 -7.279 11.480 -3.001 717 2HB ALA 97 2HB ALA 97 -8.657 11.179 -4.059 718 3HB ALA 97 3HB ALA 97 -8.481 10.255 -2.552 719 H SER 98 HN SER 98 -8.773 10.020 -5.917 720 HA SER 98 HA SER 98 -10.604 8.886 -6.817 721 1HB SER 98 2HB SER 98 -8.173 7.227 -7.539 722 2HB SER 98 1HB SER 98 -9.593 7.539 -8.569 723 HG SER 98 HG SER 98 -7.439 8.890 -8.651 724 H GLN 99 HN GLN 99 -10.810 8.130 -4.280 725 HA GLN 99 HA GLN 99 -10.420 5.623 -3.357 726 1HB GLN 99 2HB GLN 99 -12.983 7.230 -2.954 727 2HB GLN 99 1HB GLN 99 -12.387 5.945 -1.904 728 1HG GLN 99 2HG GLN 99 -11.105 8.678 -2.373 729 2HG GLN 99 1HG GLN 99 -11.898 8.101 -0.914 730 1HE2 GLN 99 2HE22 GLN 99 -9.089 5.831 -0.139 731 2HE2 GLN 99 1HE21 GLN 99 -10.820 5.651 -0.364 732 H ASP 100 HN ASP 100 -13.369 6.472 -5.277 733 HA ASP 100 HA ASP 100 -14.532 3.886 -5.098 734 1HB ASP 100 2HB ASP 100 -15.769 5.882 -5.843 735 2HB ASP 100 1HB ASP 100 -14.800 5.944 -7.330 736 H LYS 101 HN LYS 101 -12.330 5.261 -7.559 737 HA LYS 101 HA LYS 101 -12.359 2.937 -9.249 738 1HB LYS 101 1HB LYS 101 -11.755 5.208 -10.009 739 2HB LYS 101 2HB LYS 101 -10.346 5.197 -8.949 740 1HG LYS 101 1HG LYS 101 -9.767 4.770 -11.291 741 2HG LYS 101 2HG LYS 101 -9.318 3.397 -10.259 742 1HD LYS 101 2HD LYS 101 -11.151 2.069 -11.077 743 2HD LYS 101 1HD LYS 101 -11.940 3.478 -11.812 744 1HE LYS 101 2HE LYS 101 -10.829 2.033 -13.498 745 2HE LYS 101 1HE LYS 101 -10.177 3.678 -13.487 746 1HZ LYS 101 1HZ LYS 101 -8.949 1.366 -12.159 747 2HZ LYS 101 2HZ LYS 101 -8.467 2.005 -13.598 748 3HZ LYS 101 3HZ LYS 101 -8.327 2.888 -12.217 749 H LEU 102 HN LEU 102 -10.271 4.069 -6.563 750 HA LEU 102 HA LEU 102 -8.346 2.004 -6.656 751 1HB LEU 102 1HB LEU 102 -8.140 4.026 -5.271 752 2HB LEU 102 2HB LEU 102 -9.477 3.510 -4.247 753 HG LEU 102 HG LEU 102 -8.237 1.614 -3.401 754 1HD1 LEU 102 1HD21 LEU 102 -5.986 2.622 -5.195 755 2HD1 LEU 102 3HD23 LEU 102 -5.792 1.434 -3.889 756 3HD1 LEU 102 2HD22 LEU 102 -6.785 1.038 -5.293 757 1HD2 LEU 102 2HD12 LEU 102 -6.804 4.305 -3.329 758 2HD2 LEU 102 1HD11 LEU 102 -8.140 3.789 -2.280 759 3HD2 LEU 102 3HD13 LEU 102 -6.562 2.999 -2.159 760 H LYS 103 HN LYS 103 -11.408 2.182 -4.741 761 HA LYS 103 HA LYS 103 -11.397 -0.381 -3.601 762 1HB LYS 103 2HB LYS 103 -13.630 1.420 -4.613 763 2HB LYS 103 1HB LYS 103 -13.932 -0.094 -3.749 764 1HG LYS 103 2HG LYS 103 -12.973 0.697 -1.752 765 2HG LYS 103 1HG LYS 103 -12.160 2.045 -2.549 766 1HD LYS 103 2HD LYS 103 -14.071 2.763 -1.192 767 2HD LYS 103 1HD LYS 103 -14.239 3.234 -2.880 768 1HE LYS 103 1HE LYS 103 -15.562 0.712 -1.778 769 2HE LYS 103 2HE LYS 103 -16.310 2.308 -1.624 770 1HZ LYS 103 2HZ LYS 103 -16.257 2.537 -3.994 771 2HZ LYS 103 1HZ LYS 103 -15.610 1.034 -4.166 772 3HZ LYS 103 3HZ LYS 103 -17.116 1.211 -3.535 773 H ALA 104 HN ALA 104 -12.820 0.676 -6.741 774 HA ALA 104 HA ALA 104 -13.755 -1.818 -7.605 775 1HB ALA 104 3HB ALA 104 -14.269 0.345 -8.699 776 2HB ALA 104 1HB ALA 104 -12.608 0.433 -9.320 777 3HB ALA 104 2HB ALA 104 -13.688 -0.864 -9.861 778 H LEU 105 HN LEU 105 -10.474 -0.361 -8.211 779 HA LEU 105 HA LEU 105 -9.543 -2.643 -9.680 780 1HB LEU 105 1HB LEU 105 -8.024 -0.528 -8.084 781 2HB LEU 105 2HB LEU 105 -7.253 -1.817 -9.010 782 HG LEU 105 HG LEU 105 -8.870 0.500 -10.101 783 1HD1 LEU 105 2HD12 LEU 105 -6.445 0.766 -9.538 784 2HD1 LEU 105 3HD13 LEU 105 -6.056 -0.562 -10.642 785 3HD1 LEU 105 1HD11 LEU 105 -6.757 0.934 -11.281 786 1HD2 LEU 105 2HD22 LEU 105 -8.050 -2.085 -11.480 787 2HD2 LEU 105 1HD21 LEU 105 -9.649 -1.302 -11.472 788 3HD2 LEU 105 3HD23 LEU 105 -8.315 -0.582 -12.380 789 H VAL 106 HN VAL 106 -9.245 -1.847 -6.162 790 HA VAL 106 HA VAL 106 -7.685 -4.126 -5.514 791 HB VAL 106 HB VAL 106 -9.815 -2.690 -3.864 792 1HG1 VAL 106 1HG21 VAL 106 -7.661 -4.674 -2.981 793 2HG1 VAL 106 3HG23 VAL 106 -8.729 -3.734 -1.914 794 3HG1 VAL 106 2HG22 VAL 106 -9.404 -4.986 -2.957 795 1HG2 VAL 106 2HG12 VAL 106 -7.793 -1.329 -4.554 796 2HG2 VAL 106 1HG11 VAL 106 -7.895 -1.602 -2.807 797 3HG2 VAL 106 3HG13 VAL 106 -6.771 -2.556 -3.799 798 H ALA 107 HN ALA 107 -11.220 -3.744 -5.528 799 HA ALA 107 HA ALA 107 -11.907 -6.424 -4.915 800 1HB ALA 107 3HB ALA 107 -13.539 -4.564 -4.981 801 2HB ALA 107 1HB ALA 107 -13.391 -4.476 -6.747 802 3HB ALA 107 2HB ALA 107 -14.074 -5.926 -5.984 803 H LYS 108 HN LYS 108 -11.583 -4.968 -8.183 804 HA LYS 108 HA LYS 108 -12.043 -7.212 -9.760 805 1HB LYS 108 2HB LYS 108 -11.819 -4.931 -10.595 806 2HB LYS 108 1HB LYS 108 -10.110 -4.886 -10.144 807 1HG LYS 108 2HG LYS 108 -9.691 -6.774 -11.795 808 2HG LYS 108 1HG LYS 108 -11.366 -6.578 -12.334 809 1HD LYS 108 2HD LYS 108 -9.142 -4.474 -12.373 810 2HD LYS 108 1HD LYS 108 -9.730 -5.393 -13.764 811 1HE LYS 108 1HE LYS 108 -11.986 -4.334 -13.478 812 2HE LYS 108 2HE LYS 108 -11.331 -3.348 -12.153 813 1HZ LYS 108 3HZ LYS 108 -9.761 -2.425 -13.687 814 2HZ LYS 108 1HZ LYS 108 -10.375 -3.323 -14.923 815 3HZ LYS 108 2HZ LYS 108 -11.305 -2.170 -14.203 816 H HIS 109 HN HIS 109 -8.834 -6.046 -8.612 817 HA HIS 109 HA HIS 109 -7.479 -8.360 -9.742 818 1HB HIS 109 1HB HIS 109 -6.579 -6.041 -7.994 819 2HB HIS 109 2HB HIS 109 -5.512 -7.324 -8.575 820 HD2 HIS 109 HD2 HIS 109 -7.496 -4.284 -10.115 821 HE1 HIS 109 HE1 HIS 109 -4.909 -5.886 -13.032 822 HE2 HIS 109 HE2 HIS 109 -6.487 -3.953 -12.503 823 H ALA 110 HN ALA 110 -8.879 -7.667 -6.558 824 HA ALA 110 HA ALA 110 -7.435 -9.779 -5.181 825 1HB ALA 110 1HB ALA 110 -10.070 -8.396 -4.543 826 2HB ALA 110 2HB ALA 110 -9.154 -9.461 -3.453 827 3HB ALA 110 3HB ALA 110 -8.460 -7.910 -3.962 828 H ALA 111 HN ALA 111 -10.686 -9.502 -6.717 829 HA ALA 111 HA ALA 111 -11.253 -12.357 -6.258 830 1HB ALA 111 2HB ALA 111 -13.032 -10.642 -6.125 831 2HB ALA 111 3HB ALA 111 -12.742 -10.205 -7.823 832 3HB ALA 111 1HB ALA 111 -13.357 -11.822 -7.412 833 H ALA 112 HN ALA 112 -8.924 -12.554 -7.480 834 HA ALA 112 HA ALA 112 -9.370 -13.761 -9.998 835 1HB ALA 112 1HB ALA 112 -7.979 -11.038 -10.005 836 2HB ALA 112 3HB ALA 112 -7.964 -12.191 -11.359 837 3HB ALA 112 2HB ALA 112 -9.483 -11.434 -10.858 No H/Q in entry = 837 Start of MODEL 2 1 1H GLY 1 2HN GLY 1 0.351 -11.667 0.461 2 2H GLY 1 1HN GLY 1 0.645 -13.272 0.153 3 3H GLY 1 3HN GLY 1 -0.843 -12.554 -0.168 4 1HA GLY 1 1HA GLY 1 -1.245 -13.597 1.874 5 2HA GLY 1 2HA GLY 1 0.328 -13.040 2.489 6 H GLY 2 HN GLY 2 -2.342 -12.387 3.617 7 1HA GLY 2 1HA GLY 2 -3.193 -9.782 3.052 8 2HA GLY 2 2HA GLY 2 -3.454 -10.676 4.550 9 H SER 3 HN SER 3 -0.474 -9.291 3.076 10 HA SER 3 HA SER 3 0.440 -8.353 5.661 11 1HB SER 3 1HB SER 3 1.574 -7.939 2.884 12 2HB SER 3 2HB SER 3 2.410 -7.770 4.437 13 HG SER 3 HG SER 3 2.822 -9.787 3.461 14 H VAL 4 HN VAL 4 -1.274 -6.913 6.154 15 HA VAL 4 HA VAL 4 -1.631 -4.429 4.624 16 HB VAL 4 HB VAL 4 -2.642 -5.361 7.351 17 1HG1 VAL 4 2HG22 VAL 4 -3.185 -2.847 5.745 18 2HG1 VAL 4 1HG21 VAL 4 -4.332 -3.467 6.958 19 3HG1 VAL 4 3HG23 VAL 4 -2.700 -2.993 7.435 20 1HG2 VAL 4 2HG12 VAL 4 -3.947 -5.353 4.600 21 2HG2 VAL 4 1HG11 VAL 4 -3.565 -6.753 5.604 22 3HG2 VAL 4 3HG13 VAL 4 -4.808 -5.623 6.130 23 H ILE 5 HN ILE 5 0.395 -3.282 4.581 24 HA ILE 5 HA ILE 5 1.309 -2.386 7.277 25 HB ILE 5 HB ILE 5 3.641 -2.822 6.714 26 1HG1 ILE 5 1HG11 ILE 5 2.737 -4.436 4.292 27 2HG1 ILE 5 2HG12 ILE 5 3.270 -2.755 4.163 28 1HG2 ILE 5 2HG22 ILE 5 2.297 -4.540 7.947 29 2HG2 ILE 5 1HG21 ILE 5 2.060 -5.410 6.415 30 3HG2 ILE 5 3HG23 ILE 5 3.685 -5.203 7.087 31 1HD1 ILE 5 1HD11 ILE 5 5.425 -3.322 5.243 32 2HD1 ILE 5 2HD12 ILE 5 4.958 -5.033 5.233 33 3HD1 ILE 5 3HD13 ILE 5 5.164 -4.155 3.705 34 H VAL 6 HN VAL 6 3.058 -0.789 7.100 35 HA VAL 6 HA VAL 6 2.773 1.069 4.852 36 HB VAL 6 HB VAL 6 1.568 2.088 6.701 37 1HG1 VAL 6 3HG13 VAL 6 2.437 0.784 8.606 38 2HG1 VAL 6 1HG11 VAL 6 4.009 1.601 8.463 39 3HG1 VAL 6 2HG12 VAL 6 2.561 2.522 8.898 40 1HG2 VAL 6 2HG22 VAL 6 3.136 3.529 5.369 41 2HG2 VAL 6 1HG21 VAL 6 2.823 4.133 7.006 42 3HG2 VAL 6 3HG23 VAL 6 4.356 3.322 6.639 43 H ILE 7 HN ILE 7 4.865 1.737 4.085 44 HA ILE 7 HA ILE 7 7.159 0.977 5.734 45 HB ILE 7 HB ILE 7 6.213 -1.105 4.404 46 1HG1 ILE 7 1HG11 ILE 7 8.510 -1.892 3.844 47 2HG1 ILE 7 2HG12 ILE 7 9.143 -0.318 4.346 48 1HG2 ILE 7 2HG22 ILE 7 5.935 0.088 2.260 49 2HG2 ILE 7 3HG23 ILE 7 7.706 0.260 2.123 50 3HG2 ILE 7 1HG21 ILE 7 6.961 -1.345 2.123 51 1HD1 ILE 7 2HD12 ILE 7 8.096 -0.727 6.638 52 2HD1 ILE 7 1HD11 ILE 7 7.551 -2.306 6.047 53 3HD1 ILE 7 3HD13 ILE 7 9.278 -1.951 6.200 54 H ASP 8 HN ASP 8 9.142 1.771 5.089 55 HA ASP 8 HA ASP 8 9.094 3.964 3.071 56 1HB ASP 8 2HB ASP 8 10.263 5.295 4.727 57 2HB ASP 8 1HB ASP 8 8.785 4.681 5.469 58 H SER 9 HN SER 9 10.275 1.084 2.908 59 HA SER 9 HA SER 9 12.953 1.977 2.061 60 1HB SER 9 2HB SER 9 13.408 1.382 4.353 61 2HB SER 9 1HB SER 9 12.540 -0.163 4.180 62 HG SER 9 HG SER 9 14.920 -0.201 3.953 63 H LYS 10 HN LYS 10 13.786 0.823 0.485 64 HA LYS 10 HA LYS 10 12.130 -0.855 -1.145 65 1HB LYS 10 2HB LYS 10 14.002 0.823 -1.701 66 2HB LYS 10 1HB LYS 10 15.093 -0.482 -1.299 67 1HG LYS 10 2HG LYS 10 12.884 -0.930 -3.334 68 2HG LYS 10 1HG LYS 10 14.332 -0.030 -3.808 69 1HD LYS 10 1HD LYS 10 15.774 -1.927 -3.149 70 2HD LYS 10 2HD LYS 10 14.352 -2.884 -2.727 71 1HE LYS 10 2HE LYS 10 14.927 -1.766 -5.502 72 2HE LYS 10 1HE LYS 10 15.228 -3.430 -4.965 73 1HZ LYS 10 3HZ LYS 10 12.919 -3.699 -4.557 74 2HZ LYS 10 2HZ LYS 10 12.588 -2.153 -5.038 75 3HZ LYS 10 1HZ LYS 10 13.169 -3.251 -6.122 76 H ALA 11 HN ALA 11 14.797 -1.292 1.132 77 HA ALA 11 HA ALA 11 15.381 -4.066 0.628 78 1HB ALA 11 2HB ALA 11 16.803 -2.648 2.074 79 2HB ALA 11 3HB ALA 11 15.501 -2.546 3.281 80 3HB ALA 11 1HB ALA 11 16.270 -4.108 2.931 81 H ALA 12 HN ALA 12 13.122 -2.459 2.861 82 HA ALA 12 HA ALA 12 11.852 -4.862 3.805 83 1HB ALA 12 1HB ALA 12 11.792 -2.757 5.061 84 2HB ALA 12 2HB ALA 12 10.854 -1.992 3.759 85 3HB ALA 12 3HB ALA 12 10.165 -3.356 4.682 86 H TRP 13 HN TRP 13 11.090 -2.536 1.151 87 HA TRP 13 HA TRP 13 8.682 -3.532 0.214 88 1HB TRP 13 1HB TRP 13 10.066 -1.585 -0.773 89 2HB TRP 13 2HB TRP 13 11.065 -2.788 -1.514 90 HD1 TRP 13 HD1 TRP 13 10.266 -4.372 -3.377 91 HE1 TRP 13 HE1 TRP 13 8.769 -3.848 -5.391 92 HE3 TRP 13 HE3 TRP 13 7.904 -0.173 -1.597 93 HZ2 TRP 13 HZ2 TRP 13 6.960 -1.844 -6.188 94 HZ3 TRP 13 HZ3 TRP 13 6.451 1.134 -3.156 95 HH2 TRP 13 HH2 TRP 13 5.877 0.234 -5.371 96 H ASP 14 HN ASP 14 11.952 -4.646 -0.806 97 HA ASP 14 HA ASP 14 11.092 -6.855 -2.352 98 1HB ASP 14 2HB ASP 14 13.715 -6.480 -0.849 99 2HB ASP 14 1HB ASP 14 13.378 -7.704 -2.090 100 H ALA 15 HN ALA 15 12.161 -6.706 1.042 101 HA ALA 15 HA ALA 15 11.948 -9.439 1.655 102 1HB ALA 15 2HB ALA 15 12.914 -7.681 3.155 103 2HB ALA 15 3HB ALA 15 11.264 -7.126 3.520 104 3HB ALA 15 1HB ALA 15 11.777 -8.757 3.985 105 H GLN 16 HN GLN 16 9.406 -6.931 1.803 106 HA GLN 16 HA GLN 16 7.370 -8.681 2.752 107 1HB GLN 16 1HB GLN 16 7.199 -6.242 2.948 108 2HB GLN 16 2HB GLN 16 7.097 -6.080 1.187 109 1HG GLN 16 1HG GLN 16 4.853 -6.011 2.334 110 2HG GLN 16 2HG GLN 16 4.984 -7.287 1.125 111 1HE2 GLN 16 2HE22 GLN 16 4.956 -8.349 5.134 112 2HE2 GLN 16 1HE21 GLN 16 5.730 -6.848 4.654 113 H LEU 17 HN LEU 17 8.223 -7.510 -0.541 114 HA LEU 17 HA LEU 17 6.328 -8.834 -2.091 115 1HB LEU 17 1HB LEU 17 9.069 -7.769 -2.463 116 2HB LEU 17 2HB LEU 17 8.754 -9.139 -3.505 117 HG LEU 17 HG LEU 17 6.683 -8.008 -4.306 118 1HD1 LEU 17 3HD13 LEU 17 6.306 -6.478 -2.340 119 2HD1 LEU 17 2HD12 LEU 17 7.763 -5.585 -2.795 120 3HD1 LEU 17 1HD11 LEU 17 6.366 -5.601 -3.879 121 1HD2 LEU 17 2HD22 LEU 17 9.279 -6.453 -4.638 122 2HD2 LEU 17 3HD23 LEU 17 8.769 -7.872 -5.578 123 3HD2 LEU 17 1HD21 LEU 17 7.866 -6.353 -5.715 124 H ALA 18 HN ALA 18 9.413 -10.172 -0.876 125 HA ALA 18 HA ALA 18 9.049 -12.772 -1.975 126 1HB ALA 18 1HB ALA 18 11.201 -11.907 -1.189 127 2HB ALA 18 3HB ALA 18 10.619 -11.888 0.487 128 3HB ALA 18 2HB ALA 18 10.797 -13.432 -0.372 129 H LYS 19 HN LYS 19 8.597 -11.822 1.523 130 HA LYS 19 HA LYS 19 7.480 -14.373 2.163 131 1HB LYS 19 1HB LYS 19 6.883 -13.446 4.295 132 2HB LYS 19 2HB LYS 19 8.490 -12.884 3.811 133 1HG LYS 19 2HG LYS 19 7.503 -10.731 3.142 134 2HG LYS 19 1HG LYS 19 5.889 -11.280 3.574 135 1HD LYS 19 1HD LYS 19 6.761 -9.872 5.348 136 2HD LYS 19 2HD LYS 19 6.512 -11.523 5.922 137 1HE LYS 19 2HE LYS 19 8.608 -10.537 6.787 138 2HE LYS 19 1HE LYS 19 8.934 -11.969 5.810 139 1HZ LYS 19 1HZ LYS 19 9.167 -9.175 4.920 140 2HZ LYS 19 3HZ LYS 19 10.415 -10.190 5.285 141 3HZ LYS 19 2HZ LYS 19 9.461 -10.493 3.974 142 H GLY 20 HN GLY 20 5.935 -11.531 0.783 143 1HA GLY 20 1HA GLY 20 3.243 -12.089 1.415 144 2HA GLY 20 2HA GLY 20 3.847 -11.189 0.011 145 H LYS 21 HN LYS 21 5.443 -13.746 -0.774 146 HA LYS 21 HA LYS 21 5.226 -15.436 -2.247 147 1HB LYS 21 1HB LYS 21 2.451 -15.970 -1.105 148 2HB LYS 21 2HB LYS 21 3.501 -17.086 -1.975 149 1HG LYS 21 2HG LYS 21 3.993 -15.881 0.763 150 2HG LYS 21 1HG LYS 21 3.505 -17.545 0.425 151 1HD LYS 21 2HD LYS 21 5.673 -17.904 -0.789 152 2HD LYS 21 1HD LYS 21 6.167 -16.253 -0.348 153 1HE LYS 21 1HE LYS 21 5.922 -16.811 2.057 154 2HE LYS 21 2HE LYS 21 5.507 -18.480 1.621 155 1HZ LYS 21 3HZ LYS 21 8.034 -17.120 0.994 156 2HZ LYS 21 1HZ LYS 21 7.808 -18.247 2.176 157 3HZ LYS 21 2HZ LYS 21 7.654 -18.673 0.591 158 H GLU 22 HN GLU 22 5.151 -13.384 -3.486 159 HA GLU 22 HA GLU 22 2.723 -12.640 -4.875 160 1HB GLU 22 1HB GLU 22 4.687 -11.113 -4.327 161 2HB GLU 22 2HB GLU 22 5.590 -11.931 -5.615 162 1HG GLU 22 2HG GLU 22 3.755 -11.316 -7.221 163 2HG GLU 22 1HG GLU 22 2.924 -10.451 -5.928 164 H GLU 23 HN GLU 23 2.581 -15.151 -5.295 165 HA GLU 23 HA GLU 23 3.895 -16.140 -7.696 166 1HB GLU 23 2HB GLU 23 1.155 -16.925 -6.589 167 2HB GLU 23 1HB GLU 23 2.117 -17.812 -7.771 168 1HG GLU 23 2HG GLU 23 3.915 -18.123 -6.076 169 2HG GLU 23 1HG GLU 23 2.932 -17.277 -4.871 170 H HIS 24 HN HIS 24 0.608 -14.884 -7.095 171 HA HIS 24 HA HIS 24 0.722 -13.073 -9.382 172 1HB HIS 24 2HB HIS 24 -1.226 -13.972 -10.449 173 2HB HIS 24 1HB HIS 24 -0.173 -15.365 -10.190 174 HD2 HIS 24 HD2 HIS 24 -3.723 -14.260 -9.570 175 HE1 HIS 24 HE1 HIS 24 -3.061 -17.282 -6.699 176 HE2 HIS 24 HE2 HIS 24 -4.840 -15.795 -7.777 177 H LYS 25 HN LYS 25 0.617 -12.985 -6.408 178 HA LYS 25 HA LYS 25 -2.166 -12.377 -5.699 179 1HB LYS 25 2HB LYS 25 0.332 -12.092 -3.995 180 2HB LYS 25 1HB LYS 25 -1.342 -12.102 -3.433 181 1HG LYS 25 2HG LYS 25 0.184 -14.432 -4.675 182 2HG LYS 25 1HG LYS 25 -0.265 -14.247 -2.984 183 1HD LYS 25 1HD LYS 25 -2.697 -14.276 -3.662 184 2HD LYS 25 2HD LYS 25 -2.200 -14.612 -5.329 185 1HE LYS 25 2HE LYS 25 -1.602 -16.380 -2.915 186 2HE LYS 25 1HE LYS 25 -2.832 -16.676 -4.154 187 1HZ LYS 25 2HZ LYS 25 -1.061 -16.766 -5.782 188 2HZ LYS 25 1HZ LYS 25 0.065 -16.564 -4.593 189 3HZ LYS 25 3HZ LYS 25 -0.867 -17.912 -4.611 190 HA PRO 26 HA PRO 26 -1.580 -8.138 -6.811 191 1HB PRO 26 1HB PRO 26 -3.669 -6.909 -5.524 192 2HB PRO 26 2HB PRO 26 -3.867 -7.968 -6.950 193 1HG PRO 26 1HG PRO 26 -4.072 -8.793 -4.058 194 2HG PRO 26 2HG PRO 26 -5.333 -9.000 -5.291 195 1HD PRO 26 2HD PRO 26 -3.556 -10.960 -4.636 196 2HD PRO 26 1HD PRO 26 -3.868 -10.694 -6.378 197 H ILE 27 HN ILE 27 0.112 -7.059 -6.105 198 HA ILE 27 HA ILE 27 0.315 -6.268 -3.251 199 HB ILE 27 HB ILE 27 2.316 -5.916 -5.510 200 1HG1 ILE 27 1HG11 ILE 27 1.949 -8.124 -3.480 201 2HG1 ILE 27 2HG12 ILE 27 2.237 -8.230 -5.211 202 1HG2 ILE 27 2HG22 ILE 27 2.403 -4.240 -3.640 203 2HG2 ILE 27 3HG23 ILE 27 2.613 -5.578 -2.499 204 3HG2 ILE 27 1HG21 ILE 27 3.843 -5.234 -3.736 205 1HD1 ILE 27 2HD12 ILE 27 4.547 -7.325 -4.808 206 2HD1 ILE 27 1HD11 ILE 27 4.225 -7.408 -3.051 207 3HD1 ILE 27 3HD13 ILE 27 4.233 -8.885 -4.005 208 H VAL 28 HN VAL 28 -1.006 -4.595 -2.923 209 HA VAL 28 HA VAL 28 -1.416 -2.594 -5.096 210 HB VAL 28 HB VAL 28 -2.960 -2.889 -2.496 211 1HG1 VAL 28 1HG11 VAL 28 -3.042 -0.688 -3.754 212 2HG1 VAL 28 3HG13 VAL 28 -3.653 -1.564 -5.165 213 3HG1 VAL 28 2HG12 VAL 28 -4.610 -1.514 -3.671 214 1HG2 VAL 28 1HG21 VAL 28 -3.620 -4.077 -5.226 215 2HG2 VAL 28 3HG23 VAL 28 -3.255 -4.989 -3.744 216 3HG2 VAL 28 2HG22 VAL 28 -4.716 -4.009 -3.830 217 H VAL 29 HN VAL 29 -0.084 -0.837 -4.920 218 HA VAL 29 HA VAL 29 0.920 -0.151 -2.186 219 HB VAL 29 HB VAL 29 2.743 -0.910 -3.506 220 1HG1 VAL 29 2HG12 VAL 29 1.989 1.179 -5.559 221 2HG1 VAL 29 3HG13 VAL 29 3.465 0.195 -5.556 222 3HG1 VAL 29 1HG11 VAL 29 1.898 -0.592 -5.782 223 1HG2 VAL 29 2HG22 VAL 29 3.080 1.031 -2.006 224 2HG2 VAL 29 1HG21 VAL 29 4.172 1.066 -3.398 225 3HG2 VAL 29 3HG23 VAL 29 2.775 2.144 -3.353 226 H ASP 30 HN ASP 30 0.433 1.704 -1.375 227 HA ASP 30 HA ASP 30 -1.065 3.739 -2.985 228 1HB ASP 30 1HB ASP 30 -2.305 2.910 -1.088 229 2HB ASP 30 2HB ASP 30 -0.940 3.148 -0.007 230 H PHE 31 HN PHE 31 0.581 4.886 -3.887 231 HA PHE 31 HA PHE 31 2.940 5.765 -2.325 232 1HB PHE 31 2HB PHE 31 2.075 6.070 -5.221 233 2HB PHE 31 1HB PHE 31 3.474 6.840 -4.553 234 HD1 PHE 31 HD1 PHE 31 5.295 5.304 -3.429 235 HD2 PHE 31 HD2 PHE 31 2.256 3.845 -6.113 236 HE1 PHE 31 HE1 PHE 31 6.931 3.725 -4.419 237 HE2 PHE 31 HE2 PHE 31 3.901 2.267 -7.098 238 HZ PHE 31 HZ PHE 31 6.255 2.273 -6.321 239 H THR 32 HN THR 32 2.050 7.214 -0.830 240 HA THR 32 HA THR 32 0.868 9.762 -1.906 241 HB THR 32 HB THR 32 -0.108 8.156 0.462 242 HG1 THR 32 HG1 THR 32 -1.208 7.555 -1.315 243 1HG2 THR 32 3HG23 THR 32 -0.710 11.030 -0.378 244 2HG2 THR 32 1HG21 THR 32 -1.696 10.088 0.759 245 3HG2 THR 32 2HG22 THR 32 -0.026 10.502 1.175 246 H ALA 33 HN ALA 33 2.410 11.304 -1.406 247 HA ALA 33 HA ALA 33 4.617 10.726 0.277 248 1HB ALA 33 1HB ALA 33 4.623 12.426 -1.596 249 2HB ALA 33 3HB ALA 33 3.659 13.492 -0.567 250 3HB ALA 33 2HB ALA 33 5.284 13.004 -0.060 251 H THR 34 HN THR 34 5.120 11.299 2.407 252 HA THR 34 HA THR 34 3.142 11.487 4.384 253 HB THR 34 HB THR 34 5.255 12.661 5.601 254 HG1 THR 34 HG1 THR 34 6.917 11.354 3.959 255 1HG2 THR 34 2HG22 THR 34 5.094 9.784 4.637 256 2HG2 THR 34 1HG21 THR 34 6.250 10.373 5.861 257 3HG2 THR 34 3HG23 THR 34 4.504 10.457 6.165 258 H TRP 35 HN TRP 35 5.073 14.059 2.900 259 HA TRP 35 HA TRP 35 3.863 16.220 4.342 260 1HB TRP 35 2HB TRP 35 5.034 17.597 2.565 261 2HB TRP 35 1HB TRP 35 6.020 16.529 3.548 262 HD1 TRP 35 HD1 TRP 35 7.542 14.840 2.374 263 HE1 TRP 35 HE1 TRP 35 8.199 14.427 -0.058 264 HE3 TRP 35 HE3 TRP 35 3.647 17.258 0.047 265 HZ2 TRP 35 HZ2 TRP 35 7.086 14.897 -2.673 266 HZ3 TRP 35 HZ3 TRP 35 3.435 17.165 -2.414 267 HH2 TRP 35 HH2 TRP 35 5.164 16.028 -3.784 268 H CYS 36 HN CYS 36 2.351 14.339 1.928 269 HA CYS 36 HA CYS 36 0.897 16.564 0.654 270 1HB CYS 36 2HB CYS 36 1.616 14.311 -0.349 271 2HB CYS 36 1HB CYS 36 0.259 13.604 0.501 272 H GLY 37 HN GLY 37 0.569 17.238 2.998 273 1HA GLY 37 1HA GLY 37 -0.577 16.418 5.137 274 2HA GLY 37 2HA GLY 37 -1.161 17.922 4.416 275 HA PRO 38 HA PRO 38 -5.231 16.305 4.397 276 1HB PRO 38 1HB PRO 38 -6.361 17.110 2.020 277 2HB PRO 38 2HB PRO 38 -5.965 18.227 3.356 278 1HG PRO 38 2HG PRO 38 -4.299 17.634 0.895 279 2HG PRO 38 1HG PRO 38 -4.729 19.232 1.570 280 1HD PRO 38 2HD PRO 38 -2.334 18.071 2.106 281 2HD PRO 38 1HD PRO 38 -3.206 18.968 3.383 282 H CYS 39 HN CYS 39 -3.302 15.584 1.546 283 HA CYS 39 HA CYS 39 -4.908 13.532 0.383 284 1HB CYS 39 2HB CYS 39 -1.956 13.224 0.247 285 2HB CYS 39 1HB CYS 39 -3.154 13.119 -1.024 286 H LYS 40 HN LYS 40 -2.415 13.568 2.931 287 HA LYS 40 HA LYS 40 -2.015 10.847 3.278 288 1HB LYS 40 2HB LYS 40 -0.883 12.877 4.398 289 2HB LYS 40 1HB LYS 40 -2.186 12.801 5.602 290 1HG LYS 40 2HG LYS 40 -1.531 10.461 6.128 291 2HG LYS 40 1HG LYS 40 -0.263 10.539 4.884 292 1HD LYS 40 1HD LYS 40 0.781 12.461 6.106 293 2HD LYS 40 2HD LYS 40 -0.422 12.281 7.390 294 1HE LYS 40 1HE LYS 40 1.614 10.166 6.517 295 2HE LYS 40 2HE LYS 40 1.730 11.184 7.962 296 1HZ LYS 40 2HZ LYS 40 -0.288 10.174 8.760 297 2HZ LYS 40 3HZ LYS 40 -0.371 9.201 7.432 298 3HZ LYS 40 1HZ LYS 40 0.878 9.041 8.492 299 H MET 41 HN MET 41 -4.941 12.645 4.093 300 HA MET 41 HA MET 41 -6.007 10.801 6.051 301 1HB MET 41 1HB MET 41 -7.434 12.689 4.112 302 2HB MET 41 2HB MET 41 -8.145 11.902 5.529 303 1HG MET 41 1HG MET 41 -6.468 12.998 6.973 304 2HG MET 41 2HG MET 41 -5.845 13.904 5.598 305 1HE MET 41 1HE MET 41 -6.070 16.118 6.953 306 2HE MET 41 3HE MET 41 -7.587 16.665 7.706 307 3HE MET 41 2HE MET 41 -6.756 15.223 8.335 308 H ILE 42 HN ILE 42 -5.522 10.514 2.654 309 HA ILE 42 HA ILE 42 -7.587 8.535 2.158 310 HB ILE 42 HB ILE 42 -5.014 9.298 0.715 311 1HG1 ILE 42 2HG12 ILE 42 -7.916 9.792 -0.106 312 2HG1 ILE 42 1HG11 ILE 42 -7.071 10.933 0.944 313 1HG2 ILE 42 1HG21 ILE 42 -7.187 7.349 -0.054 314 2HG2 ILE 42 2HG22 ILE 42 -6.034 8.045 -1.216 315 3HG2 ILE 42 3HG23 ILE 42 -5.447 7.044 0.116 316 1HD1 ILE 42 1HD11 ILE 42 -5.274 11.186 -0.745 317 2HD1 ILE 42 3HD13 ILE 42 -6.240 10.201 -1.868 318 3HD1 ILE 42 2HD12 ILE 42 -6.869 11.750 -1.256 319 H ALA 43 HN ALA 43 -4.376 8.492 3.632 320 HA ALA 43 HA ALA 43 -3.685 5.818 3.124 321 1HB ALA 43 2HB ALA 43 -2.158 7.507 4.093 322 2HB ALA 43 3HB ALA 43 -3.033 7.462 5.626 323 3HB ALA 43 1HB ALA 43 -2.194 6.014 5.052 324 HA PRO 44 HA PRO 44 -5.934 4.431 7.172 325 1HB PRO 44 2HB PRO 44 -8.102 5.937 8.044 326 2HB PRO 44 1HB PRO 44 -6.450 5.998 8.721 327 1HG PRO 44 2HG PRO 44 -7.659 7.787 6.620 328 2HG PRO 44 1HG PRO 44 -6.745 8.286 8.069 329 1HD PRO 44 2HD PRO 44 -5.450 8.171 5.744 330 2HD PRO 44 1HD PRO 44 -4.692 7.428 7.170 331 H LEU 45 HN LEU 45 -7.815 6.271 4.758 332 HA LEU 45 HA LEU 45 -10.041 4.472 4.577 333 1HB LEU 45 2HB LEU 45 -8.690 6.216 2.462 334 2HB LEU 45 1HB LEU 45 -10.105 5.265 2.146 335 HG LEU 45 HG LEU 45 -9.802 7.556 4.161 336 1HD1 LEU 45 1HD11 LEU 45 -9.877 8.219 1.757 337 2HD1 LEU 45 3HD13 LEU 45 -11.420 7.363 1.581 338 3HD1 LEU 45 2HD12 LEU 45 -11.301 8.778 2.647 339 1HD2 LEU 45 3HD23 LEU 45 -12.254 5.853 3.520 340 2HD2 LEU 45 1HD21 LEU 45 -11.472 6.055 5.107 341 3HD2 LEU 45 2HD22 LEU 45 -12.320 7.412 4.367 342 H PHE 46 HN PHE 46 -7.066 4.604 2.610 343 HA PHE 46 HA PHE 46 -7.488 2.168 1.170 344 1HB PHE 46 2HB PHE 46 -5.923 3.708 0.349 345 2HB PHE 46 1HB PHE 46 -5.154 3.900 1.898 346 HD1 PHE 46 HD2 PHE 46 -5.653 1.534 -0.955 347 HD2 PHE 46 HD1 PHE 46 -3.263 2.471 2.501 348 HE1 PHE 46 HE2 PHE 46 -3.923 -0.059 -1.721 349 HE2 PHE 46 HE1 PHE 46 -1.557 0.815 1.764 350 HZ PHE 46 HZ PHE 46 -1.833 -0.358 -0.418 351 H GLU 47 HN GLU 47 -5.873 2.759 4.362 352 HA GLU 47 HA GLU 47 -5.067 0.074 4.789 353 1HB GLU 47 1HB GLU 47 -5.742 2.321 6.690 354 2HB GLU 47 2HB GLU 47 -5.091 0.772 7.204 355 1HG GLU 47 1HG GLU 47 -3.047 1.061 6.002 356 2HG GLU 47 2HG GLU 47 -3.656 2.450 5.107 357 H THR 48 HN THR 48 -8.212 1.730 5.327 358 HA THR 48 HA THR 48 -9.409 -0.400 6.826 359 HB THR 48 HB THR 48 -10.820 1.547 4.944 360 HG1 THR 48 HG1 THR 48 -9.471 2.556 6.577 361 1HG2 THR 48 2HG22 THR 48 -11.771 0.014 7.397 362 2HG2 THR 48 3HG23 THR 48 -12.708 1.217 6.491 363 3HG2 THR 48 1HG21 THR 48 -12.254 -0.311 5.716 364 H LEU 49 HN LEU 49 -9.287 0.304 3.271 365 HA LEU 49 HA LEU 49 -10.652 -2.114 2.504 366 1HB LEU 49 2HB LEU 49 -8.641 -0.327 1.064 367 2HB LEU 49 1HB LEU 49 -9.187 -1.843 0.369 368 HG LEU 49 HG LEU 49 -10.418 -0.117 -0.597 369 1HD1 LEU 49 2HD12 LEU 49 -11.578 -2.306 0.028 370 2HD1 LEU 49 3HD13 LEU 49 -12.379 -1.415 1.338 371 3HD1 LEU 49 1HD11 LEU 49 -12.640 -0.943 -0.342 372 1HD2 LEU 49 1HD21 LEU 49 -10.211 1.592 1.156 373 2HD2 LEU 49 3HD23 LEU 49 -11.875 1.426 0.579 374 3HD2 LEU 49 2HD22 LEU 49 -11.419 0.732 2.147 375 H SER 50 HN SER 50 -7.251 -1.352 3.123 376 HA SER 50 HA SER 50 -6.132 -3.766 2.369 377 1HB SER 50 1HB SER 50 -5.204 -2.188 4.778 378 2HB SER 50 2HB SER 50 -4.281 -3.311 3.794 379 HG SER 50 HG SER 50 -5.437 -0.982 2.669 380 H ASN 51 HN ASN 51 -7.399 -2.903 5.578 381 HA ASN 51 HA ASN 51 -7.146 -5.469 6.799 382 1HB ASN 51 1HB ASN 51 -7.533 -3.469 8.103 383 2HB ASN 51 2HB ASN 51 -9.063 -3.145 7.282 384 1HD2 ASN 51 2HD22 ASN 51 -10.934 -5.496 9.193 385 2HD2 ASN 51 1HD21 ASN 51 -10.937 -4.490 7.755 386 H ASP 52 HN ASP 52 -9.855 -3.958 4.982 387 HA ASP 52 HA ASP 52 -11.799 -5.904 5.339 388 1HB ASP 52 1HB ASP 52 -12.122 -3.693 4.154 389 2HB ASP 52 2HB ASP 52 -11.256 -4.354 2.757 390 H TYR 53 HN TYR 53 -9.422 -5.795 2.643 391 HA TYR 53 HA TYR 53 -10.334 -8.407 1.656 392 1HB TYR 53 1HB TYR 53 -8.132 -6.479 0.978 393 2HB TYR 53 2HB TYR 53 -8.171 -8.077 0.254 394 HD1 TYR 53 HD2 TYR 53 -9.783 -4.759 0.337 395 HD2 TYR 53 HD1 TYR 53 -9.780 -8.681 -1.451 396 HE1 TYR 53 HE2 TYR 53 -11.060 -3.893 -1.588 397 HE2 TYR 53 HE1 TYR 53 -11.128 -7.827 -3.326 398 HH TYR 53 HH TYR 53 -12.512 -6.051 -4.017 399 H ALA 54 HN ALA 54 -7.360 -7.140 3.208 400 HA ALA 54 HA ALA 54 -5.358 -8.261 3.626 401 1HB ALA 54 2HB ALA 54 -6.652 -7.974 5.699 402 2HB ALA 54 3HB ALA 54 -7.411 -9.560 5.479 403 3HB ALA 54 1HB ALA 54 -5.655 -9.429 5.782 404 H GLY 55 HN GLY 55 -6.177 -11.192 4.819 405 1HA GLY 55 1HA GLY 55 -5.673 -13.325 4.245 406 2HA GLY 55 2HA GLY 55 -6.852 -12.996 2.967 407 H LYS 56 HN LYS 56 -6.033 -12.249 0.914 408 HA LYS 56 HA LYS 56 -3.584 -13.737 0.110 409 1HB LYS 56 2HB LYS 56 -5.912 -12.575 -1.472 410 2HB LYS 56 1HB LYS 56 -4.520 -13.422 -2.167 411 1HG LYS 56 2HG LYS 56 -5.111 -15.488 -1.015 412 2HG LYS 56 1HG LYS 56 -6.397 -14.675 -0.114 413 1HD LYS 56 2HD LYS 56 -7.369 -15.951 -1.918 414 2HD LYS 56 1HD LYS 56 -7.639 -14.224 -2.194 415 1HE LYS 56 1HE LYS 56 -5.836 -14.180 -3.883 416 2HE LYS 56 2HE LYS 56 -5.436 -15.874 -3.531 417 1HZ LYS 56 3HZ LYS 56 -7.979 -14.892 -4.613 418 2HZ LYS 56 2HZ LYS 56 -6.790 -15.636 -5.472 419 3HZ LYS 56 1HZ LYS 56 -7.610 -16.470 -4.310 420 H VAL 57 HN VAL 57 -4.986 -10.466 0.137 421 HA VAL 57 HA VAL 57 -3.223 -9.448 -1.944 422 HB VAL 57 HB VAL 57 -5.213 -8.084 -0.110 423 1HG1 VAL 57 1HG11 VAL 57 -4.043 -7.147 -2.773 424 2HG1 VAL 57 2HG12 VAL 57 -5.380 -6.377 -1.934 425 3HG1 VAL 57 3HG13 VAL 57 -3.773 -6.424 -1.198 426 1HG2 VAL 57 3HG23 VAL 57 -5.719 -9.444 -2.763 427 2HG2 VAL 57 1HG21 VAL 57 -6.486 -9.745 -1.199 428 3HG2 VAL 57 2HG22 VAL 57 -6.806 -8.237 -2.051 429 H ILE 58 HN ILE 58 -1.438 -8.152 -1.742 430 HA ILE 58 HA ILE 58 -0.382 -7.679 1.029 431 HB ILE 58 HB ILE 58 0.944 -7.481 -1.695 432 1HG1 ILE 58 1HG11 ILE 58 2.507 -9.206 -0.766 433 2HG1 ILE 58 2HG12 ILE 58 1.356 -9.503 0.534 434 1HG2 ILE 58 1HG21 ILE 58 1.818 -5.760 -0.162 435 2HG2 ILE 58 2HG22 ILE 58 2.153 -7.000 1.049 436 3HG2 ILE 58 3HG23 ILE 58 3.021 -7.001 -0.491 437 1HD1 ILE 58 2HD12 ILE 58 0.711 -9.728 -2.463 438 2HD1 ILE 58 3HD13 ILE 58 1.283 -11.079 -1.479 439 3HD1 ILE 58 1HD11 ILE 58 -0.278 -10.321 -1.123 440 H PHE 59 HN PHE 59 -0.500 -5.552 1.816 441 HA PHE 59 HA PHE 59 -1.299 -3.404 -0.129 442 1HB PHE 59 1HB PHE 59 -2.308 -3.960 2.645 443 2HB PHE 59 2HB PHE 59 -2.489 -2.413 1.832 444 HD1 PHE 59 HD1 PHE 59 -3.938 -2.148 -0.116 445 HD2 PHE 59 HD2 PHE 59 -3.638 -5.932 1.925 446 HE1 PHE 59 HE1 PHE 59 -6.174 -2.768 -0.961 447 HE2 PHE 59 HE2 PHE 59 -5.923 -6.489 1.209 448 HZ PHE 59 HZ PHE 59 -7.222 -4.892 -0.227 449 H LEU 60 HN LEU 60 0.348 -2.111 -0.355 450 HA LEU 60 HA LEU 60 2.286 -1.646 1.883 451 1HB LEU 60 1HB LEU 60 2.471 -1.378 -1.135 452 2HB LEU 60 2HB LEU 60 3.759 -0.908 -0.008 453 HG LEU 60 HG LEU 60 2.693 -3.707 -0.507 454 1HD1 LEU 60 1HD21 LEU 60 4.018 -2.741 -2.369 455 2HD1 LEU 60 2HD22 LEU 60 5.339 -2.377 -1.242 456 3HD1 LEU 60 3HD23 LEU 60 4.889 -4.062 -1.573 457 1HD2 LEU 60 3HD13 LEU 60 4.943 -2.714 1.310 458 2HD2 LEU 60 2HD12 LEU 60 3.499 -3.644 1.788 459 3HD2 LEU 60 1HD11 LEU 60 4.752 -4.394 0.786 460 H LYS 61 HN LYS 61 1.403 0.178 3.014 461 HA LYS 61 HA LYS 61 0.648 2.541 1.389 462 1HB LYS 61 2HB LYS 61 -0.552 2.322 3.449 463 2HB LYS 61 1HB LYS 61 0.924 2.093 4.375 464 1HG LYS 61 1HG LYS 61 0.133 4.321 4.761 465 2HG LYS 61 2HG LYS 61 1.628 4.425 3.840 466 1HD LYS 61 2HD LYS 61 0.089 4.631 1.719 467 2HD LYS 61 1HD LYS 61 -1.228 4.829 2.873 468 1HE LYS 61 1HE LYS 61 -0.526 7.002 2.280 469 2HE LYS 61 2HE LYS 61 0.176 6.758 3.885 470 1HZ LYS 61 3HZ LYS 61 1.631 6.333 1.352 471 2HZ LYS 61 1HZ LYS 61 1.729 7.703 2.248 472 3HZ LYS 61 2HZ LYS 61 2.260 6.271 2.868 473 H VAL 62 HN VAL 62 2.246 3.810 0.460 474 HA VAL 62 HA VAL 62 4.991 3.663 1.648 475 HB VAL 62 HB VAL 62 4.100 3.445 -1.248 476 1HG1 VAL 62 3HG13 VAL 62 6.916 3.715 -0.109 477 2HG1 VAL 62 1HG11 VAL 62 6.511 3.295 -1.789 478 3HG1 VAL 62 2HG12 VAL 62 6.128 4.901 -1.174 479 1HG2 VAL 62 1HG21 VAL 62 4.083 1.348 0.139 480 2HG2 VAL 62 2HG22 VAL 62 5.336 1.295 -1.106 481 3HG2 VAL 62 3HG23 VAL 62 5.774 1.646 0.571 482 H ASP 63 HN ASP 63 6.129 5.399 1.792 483 HA ASP 63 HA ASP 63 4.950 8.031 1.074 484 1HB ASP 63 2HB ASP 63 5.609 7.764 3.409 485 2HB ASP 63 1HB ASP 63 7.234 7.248 2.929 486 H VAL 64 HN VAL 64 5.493 8.423 -1.017 487 HA VAL 64 HA VAL 64 7.769 7.518 -2.417 488 HB VAL 64 HB VAL 64 7.291 9.383 -3.995 489 1HG1 VAL 64 3HG23 VAL 64 4.893 7.798 -2.989 490 2HG1 VAL 64 1HG21 VAL 64 4.947 8.676 -4.524 491 3HG1 VAL 64 2HG22 VAL 64 6.066 7.329 -4.247 492 1HG2 VAL 64 3HG13 VAL 64 6.579 11.140 -2.372 493 2HG2 VAL 64 2HG12 VAL 64 5.397 10.873 -3.657 494 3HG2 VAL 64 1HG11 VAL 64 5.102 10.197 -2.050 495 H ASP 65 HN ASP 65 7.462 10.175 -0.092 496 HA ASP 65 HA ASP 65 9.755 11.671 -0.875 497 1HB ASP 65 2HB ASP 65 7.923 12.292 0.821 498 2HB ASP 65 1HB ASP 65 8.806 11.290 1.983 499 H ALA 66 HN ALA 66 9.304 8.685 1.010 500 HA ALA 66 HA ALA 66 12.098 8.629 1.942 501 1HB ALA 66 2HB ALA 66 10.312 7.839 3.427 502 2HB ALA 66 3HB ALA 66 9.822 6.613 2.239 503 3HB ALA 66 1HB ALA 66 11.426 6.525 2.998 504 H VAL 67 HN VAL 67 10.004 6.351 0.022 505 HA VAL 67 HA VAL 67 12.489 5.156 -1.064 506 HB VAL 67 HB VAL 67 11.108 3.492 -2.073 507 1HG1 VAL 67 2HG12 VAL 67 11.891 3.257 0.253 508 2HG1 VAL 67 1HG11 VAL 67 10.363 3.955 0.832 509 3HG1 VAL 67 3HG13 VAL 67 10.365 2.405 -0.035 510 1HG2 VAL 67 1HG21 VAL 67 9.015 4.756 -2.586 511 2HG2 VAL 67 2HG22 VAL 67 8.746 3.302 -1.630 512 3HG2 VAL 67 3HG23 VAL 67 8.717 4.909 -0.848 513 H ALA 68 HN ALA 68 12.597 7.649 -1.867 514 HA ALA 68 HA ALA 68 11.337 8.553 -4.160 515 1HB ALA 68 2HB ALA 68 13.005 9.840 -2.888 516 2HB ALA 68 3HB ALA 68 14.303 8.770 -3.465 517 3HB ALA 68 1HB ALA 68 13.424 9.802 -4.613 518 H ALA 69 HN ALA 69 14.051 6.264 -3.968 519 HA ALA 69 HA ALA 69 14.604 5.923 -6.713 520 1HB ALA 69 2HB ALA 69 16.048 5.088 -4.910 521 2HB ALA 69 3HB ALA 69 14.804 3.911 -4.429 522 3HB ALA 69 1HB ALA 69 15.596 3.775 -6.014 523 H VAL 70 HN VAL 70 12.244 4.168 -4.604 524 HA VAL 70 HA VAL 70 11.471 2.355 -6.749 525 HB VAL 70 HB VAL 70 9.976 2.992 -4.169 526 1HG1 VAL 70 3HG13 VAL 70 9.777 0.769 -6.263 527 2HG1 VAL 70 2HG12 VAL 70 9.068 0.674 -4.653 528 3HG1 VAL 70 1HG11 VAL 70 8.506 1.914 -5.785 529 1HG2 VAL 70 3HG23 VAL 70 11.870 0.712 -4.850 530 2HG2 VAL 70 2HG22 VAL 70 12.242 2.041 -3.718 531 3HG2 VAL 70 1HG21 VAL 70 10.940 0.895 -3.342 532 H ALA 71 HN ALA 71 10.216 5.338 -5.270 533 HA ALA 71 HA ALA 71 7.802 5.565 -6.690 534 1HB ALA 71 2HB ALA 71 8.515 7.017 -4.801 535 2HB ALA 71 3HB ALA 71 9.660 7.847 -5.871 536 3HB ALA 71 1HB ALA 71 7.922 7.955 -6.186 537 H GLU 72 HN GLU 72 11.016 6.999 -7.633 538 HA GLU 72 HA GLU 72 10.010 7.899 -10.168 539 1HB GLU 72 2HB GLU 72 12.259 8.463 -10.718 540 2HB GLU 72 1HB GLU 72 11.954 8.887 -9.031 541 1HG GLU 72 2HG GLU 72 13.127 6.726 -8.389 542 2HG GLU 72 1HG GLU 72 13.595 6.539 -10.083 543 H ALA 73 HN ALA 73 11.788 4.873 -9.233 544 HA ALA 73 HA ALA 73 12.082 3.878 -11.872 545 1HB ALA 73 2HB ALA 73 13.221 2.915 -9.912 546 2HB ALA 73 3HB ALA 73 11.664 2.355 -9.260 547 3HB ALA 73 1HB ALA 73 12.292 1.674 -10.774 548 H ALA 74 HN ALA 74 9.414 3.495 -9.538 549 HA ALA 74 HA ALA 74 7.743 1.796 -11.107 550 1HB ALA 74 3HB ALA 74 7.111 3.742 -8.859 551 2HB ALA 74 1HB ALA 74 6.005 2.507 -9.487 552 3HB ALA 74 2HB ALA 74 7.507 2.020 -8.694 553 H GLY 75 HN GLY 75 8.078 5.310 -10.807 554 1HA GLY 75 1HA GLY 75 7.868 6.689 -12.774 555 2HA GLY 75 2HA GLY 75 6.543 5.669 -13.355 556 H ILE 76 HN ILE 76 7.079 7.103 -10.089 557 HA ILE 76 HA ILE 76 4.342 8.156 -10.065 558 HB ILE 76 HB ILE 76 6.668 8.059 -8.150 559 1HG1 ILE 76 2HG12 ILE 76 4.983 7.116 -6.663 560 2HG1 ILE 76 1HG11 ILE 76 3.683 7.557 -7.777 561 1HG2 ILE 76 1HG21 ILE 76 4.298 9.951 -7.846 562 2HG2 ILE 76 2HG22 ILE 76 5.415 9.492 -6.550 563 3HG2 ILE 76 3HG23 ILE 76 6.017 10.407 -7.918 564 1HD1 ILE 76 3HD13 ILE 76 5.863 5.516 -8.331 565 2HD1 ILE 76 2HD12 ILE 76 4.194 5.154 -7.856 566 3HD1 ILE 76 1HD11 ILE 76 4.503 5.893 -9.418 567 H THR 77 HN THR 77 3.696 10.098 -10.706 568 HA THR 77 HA THR 77 5.681 12.251 -11.307 569 HB THR 77 HB THR 77 3.821 13.025 -12.851 570 HG1 THR 77 HG1 THR 77 2.347 11.249 -13.411 571 1HG2 THR 77 2HG22 THR 77 5.801 11.756 -13.693 572 2HG2 THR 77 3HG23 THR 77 4.928 10.232 -13.435 573 3HG2 THR 77 1HG21 THR 77 4.339 11.403 -14.632 574 H ALA 78 HN ALA 78 2.205 11.992 -10.809 575 HA ALA 78 HA ALA 78 2.223 14.086 -8.693 576 1HB ALA 78 2HB ALA 78 0.567 14.247 -10.531 577 2HB ALA 78 1HB ALA 78 -0.071 12.645 -10.098 578 3HB ALA 78 3HB ALA 78 -0.228 14.003 -8.964 579 H MET 79 HN MET 79 0.898 13.636 -6.728 580 HA MET 79 HA MET 79 0.731 10.817 -5.910 581 1HB MET 79 1HB MET 79 1.720 11.290 -3.760 582 2HB MET 79 2HB MET 79 2.874 11.532 -5.063 583 1HG MET 79 1HG MET 79 1.407 13.730 -3.538 584 2HG MET 79 2HG MET 79 3.068 13.226 -3.291 585 1HE MET 79 1HE MET 79 4.998 13.521 -5.061 586 2HE MET 79 2HE MET 79 4.056 12.977 -6.472 587 3HE MET 79 3HE MET 79 4.863 14.554 -6.503 588 HA PRO 80 HA PRO 80 -0.549 9.834 -3.876 589 1HB PRO 80 1HB PRO 80 -3.484 9.601 -4.600 590 2HB PRO 80 2HB PRO 80 -2.604 8.747 -3.310 591 1HG PRO 80 2HG PRO 80 -4.045 10.906 -2.669 592 2HG PRO 80 1HG PRO 80 -2.380 10.836 -2.069 593 1HD PRO 80 2HD PRO 80 -3.392 12.284 -4.555 594 2HD PRO 80 1HD PRO 80 -2.358 12.927 -3.251 595 H THR 81 HN THR 81 -0.361 7.855 -4.957 596 HA THR 81 HA THR 81 -1.489 7.473 -7.642 597 HB THR 81 HB THR 81 1.472 7.599 -6.971 598 HG1 THR 81 HG1 THR 81 0.901 9.402 -8.048 599 1HG2 THR 81 1HG21 THR 81 0.184 6.114 -9.298 600 2HG2 THR 81 2HG22 THR 81 1.898 6.557 -9.197 601 3HG2 THR 81 3HG23 THR 81 1.225 5.413 -8.027 602 H PHE 82 HN PHE 82 -2.041 5.351 -7.945 603 HA PHE 82 HA PHE 82 -1.428 3.440 -5.730 604 1HB PHE 82 1HB PHE 82 -4.015 3.923 -7.231 605 2HB PHE 82 2HB PHE 82 -3.693 2.484 -6.295 606 HD1 PHE 82 HD2 PHE 82 -4.235 6.174 -6.050 607 HD2 PHE 82 HD1 PHE 82 -3.579 2.514 -3.852 608 HE1 PHE 82 HE2 PHE 82 -4.889 7.308 -3.956 609 HE2 PHE 82 HE1 PHE 82 -4.335 3.648 -1.778 610 HZ PHE 82 HZ PHE 82 -4.856 6.042 -1.793 611 H HIS 83 HN HIS 83 -0.315 1.700 -6.502 612 HA HIS 83 HA HIS 83 -0.600 0.971 -9.414 613 1HB HIS 83 2HB HIS 83 1.869 0.910 -7.697 614 2HB HIS 83 1HB HIS 83 1.698 0.051 -9.227 615 HD2 HIS 83 HD2 HIS 83 0.316 3.560 -9.706 616 HE1 HIS 83 HE1 HIS 83 4.393 3.641 -10.785 617 HE2 HIS 83 HE2 HIS 83 2.193 4.906 -10.932 618 H VAL 84 HN VAL 84 -0.504 -1.260 -9.870 619 HA VAL 84 HA VAL 84 -0.780 -3.077 -7.521 620 HB VAL 84 HB VAL 84 -2.224 -3.431 -10.168 621 1HG1 VAL 84 1HG21 VAL 84 -2.470 -4.706 -7.399 622 2HG1 VAL 84 2HG22 VAL 84 -3.527 -5.038 -8.776 623 3HG1 VAL 84 3HG23 VAL 84 -1.820 -5.481 -8.860 624 1HG2 VAL 84 2HG12 VAL 84 -3.327 -2.236 -7.596 625 2HG2 VAL 84 1HG11 VAL 84 -3.192 -1.420 -9.175 626 3HG2 VAL 84 3HG13 VAL 84 -4.295 -2.786 -8.981 627 H TYR 85 HN TYR 85 0.828 -4.571 -7.528 628 HA TYR 85 HA TYR 85 2.122 -5.380 -10.130 629 1HB TYR 85 1HB TYR 85 3.318 -5.382 -7.345 630 2HB TYR 85 2HB TYR 85 4.065 -5.962 -8.825 631 HD1 TYR 85 HD1 TYR 85 2.699 -2.859 -7.179 632 HD2 TYR 85 HD2 TYR 85 5.380 -4.492 -10.125 633 HE1 TYR 85 HE1 TYR 85 3.511 -0.584 -7.733 634 HE2 TYR 85 HE2 TYR 85 6.177 -2.213 -10.666 635 HH TYR 85 HH TYR 85 4.456 0.689 -9.550 636 H LYS 86 HN LYS 86 1.446 -7.428 -10.688 637 HA LYS 86 HA LYS 86 0.003 -9.073 -8.668 638 1HB LYS 86 1HB LYS 86 0.214 -9.105 -11.693 639 2HB LYS 86 2HB LYS 86 -0.455 -10.472 -10.807 640 1HG LYS 86 1HG LYS 86 -1.498 -7.669 -10.316 641 2HG LYS 86 2HG LYS 86 -2.090 -8.616 -11.682 642 1HD LYS 86 1HD LYS 86 -2.137 -9.756 -8.853 643 2HD LYS 86 2HD LYS 86 -3.426 -8.723 -9.476 644 1HE LYS 86 2HE LYS 86 -3.926 -10.261 -11.275 645 2HE LYS 86 1HE LYS 86 -2.563 -11.309 -10.828 646 1HZ LYS 86 1HZ LYS 86 -4.839 -10.726 -9.071 647 2HZ LYS 86 3HZ LYS 86 -4.667 -12.091 -9.977 648 3HZ LYS 86 2HZ LYS 86 -3.586 -11.761 -8.781 649 H ASP 87 HN ASP 87 2.517 -9.611 -11.157 650 HA ASP 87 HA ASP 87 3.384 -12.124 -9.850 651 1HB ASP 87 1HB ASP 87 4.621 -12.449 -11.896 652 2HB ASP 87 2HB ASP 87 2.957 -11.984 -12.305 653 H GLY 88 HN GLY 88 4.490 -9.050 -10.880 654 1HA GLY 88 1HA GLY 88 6.303 -8.304 -8.834 655 2HA GLY 88 2HA GLY 88 7.242 -9.172 -10.066 656 H VAL 89 HN VAL 89 5.236 -8.221 -12.201 657 HA VAL 89 HA VAL 89 6.487 -5.623 -12.732 658 HB VAL 89 HB VAL 89 4.668 -7.380 -14.451 659 1HG1 VAL 89 3HG23 VAL 89 6.614 -5.149 -15.187 660 2HG1 VAL 89 1HG21 VAL 89 5.753 -6.180 -16.346 661 3HG1 VAL 89 2HG22 VAL 89 4.839 -5.088 -15.305 662 1HG2 VAL 89 1HG11 VAL 89 7.712 -7.379 -14.353 663 2HG2 VAL 89 3HG13 VAL 89 6.655 -8.715 -13.861 664 3HG2 VAL 89 2HG12 VAL 89 6.706 -8.230 -15.550 665 H LYS 90 HN LYS 90 5.262 -3.790 -13.193 666 HA LYS 90 HA LYS 90 2.949 -3.303 -11.625 667 1HB LYS 90 1HB LYS 90 4.637 -1.615 -12.473 668 2HB LYS 90 2HB LYS 90 3.924 -1.785 -14.080 669 1HG LYS 90 1HG LYS 90 1.742 -0.966 -13.184 670 2HG LYS 90 2HG LYS 90 2.421 -0.933 -11.557 671 1HD LYS 90 2HD LYS 90 2.403 1.320 -12.496 672 2HD LYS 90 1HD LYS 90 4.054 0.785 -12.191 673 1HE LYS 90 1HE LYS 90 3.774 2.017 -14.341 674 2HE LYS 90 2HE LYS 90 4.444 0.399 -14.560 675 1HZ LYS 90 1HZ LYS 90 1.616 1.133 -14.949 676 2HZ LYS 90 3HZ LYS 90 2.727 0.905 -16.147 677 3HZ LYS 90 2HZ LYS 90 2.274 -0.359 -15.195 678 H ALA 91 HN ALA 91 1.148 -4.486 -11.984 679 HA ALA 91 HA ALA 91 0.371 -5.420 -14.649 680 1HB ALA 91 3HB ALA 91 0.114 -6.847 -12.649 681 2HB ALA 91 1HB ALA 91 -0.991 -5.654 -11.927 682 3HB ALA 91 2HB ALA 91 -1.456 -6.516 -13.409 683 H ASP 92 HN ASP 92 -0.538 -2.887 -12.333 684 HA ASP 92 HA ASP 92 -2.069 -1.515 -14.399 685 1HB ASP 92 2HB ASP 92 -3.544 -3.355 -13.255 686 2HB ASP 92 1HB ASP 92 -3.586 -2.262 -11.866 687 H ASP 93 HN ASP 93 -3.015 0.584 -13.412 688 HA ASP 93 HA ASP 93 -1.905 1.523 -10.959 689 1HB ASP 93 2HB ASP 93 -0.464 3.332 -11.915 690 2HB ASP 93 1HB ASP 93 0.175 1.719 -12.180 691 H LEU 94 HN LEU 94 -2.281 3.775 -10.587 692 HA LEU 94 HA LEU 94 -4.349 5.187 -12.125 693 1HB LEU 94 2HB LEU 94 -5.655 3.558 -11.024 694 2HB LEU 94 1HB LEU 94 -4.763 3.673 -9.511 695 HG LEU 94 HG LEU 94 -7.047 4.475 -9.462 696 1HD1 LEU 94 3HD23 LEU 94 -4.773 5.810 -8.329 697 2HD1 LEU 94 2HD22 LEU 94 -6.064 6.976 -8.595 698 3HD1 LEU 94 1HD21 LEU 94 -6.368 5.510 -7.656 699 1HD2 LEU 94 2HD12 LEU 94 -6.912 5.510 -11.822 700 2HD2 LEU 94 3HD13 LEU 94 -7.898 6.324 -10.606 701 3HD2 LEU 94 1HD11 LEU 94 -6.318 6.966 -11.018 702 H VAL 95 HN VAL 95 -4.512 7.396 -11.379 703 HA VAL 95 HA VAL 95 -2.517 8.259 -9.368 704 HB VAL 95 HB VAL 95 -2.257 10.305 -10.710 705 1HG1 VAL 95 1HG11 VAL 95 -0.654 8.432 -10.890 706 2HG1 VAL 95 2HG12 VAL 95 -1.579 7.767 -12.252 707 3HG1 VAL 95 3HG13 VAL 95 -0.790 9.350 -12.398 708 1HG2 VAL 95 3HG23 VAL 95 -4.392 10.246 -11.994 709 2HG2 VAL 95 1HG21 VAL 95 -2.976 10.392 -13.044 710 3HG2 VAL 95 2HG22 VAL 95 -3.803 8.834 -12.898 711 H GLY 96 HN GLY 96 -3.046 10.093 -8.133 712 1HA GLY 96 1HA GLY 96 -4.376 11.716 -7.193 713 2HA GLY 96 2HA GLY 96 -5.651 11.388 -8.385 714 H ALA 97 HN ALA 97 -6.636 11.834 -6.053 715 HA ALA 97 HA ALA 97 -6.770 9.591 -4.214 716 1HB ALA 97 1HB ALA 97 -6.948 11.995 -3.561 717 2HB ALA 97 3HB ALA 97 -8.471 12.117 -4.459 718 3HB ALA 97 2HB ALA 97 -8.367 11.048 -3.046 719 H SER 98 HN SER 98 -7.448 8.559 -6.716 720 HA SER 98 HA SER 98 -10.332 8.681 -7.181 721 1HB SER 98 2HB SER 98 -8.287 6.819 -8.398 722 2HB SER 98 1HB SER 98 -9.848 7.302 -9.068 723 HG SER 98 HG SER 98 -7.431 8.629 -9.215 724 H GLN 99 HN GLN 99 -10.561 8.005 -4.803 725 HA GLN 99 HA GLN 99 -10.056 5.501 -3.737 726 1HB GLN 99 1HB GLN 99 -12.668 7.063 -3.408 727 2HB GLN 99 2HB GLN 99 -12.024 5.844 -2.301 728 1HG GLN 99 2HG GLN 99 -10.868 8.607 -2.881 729 2HG GLN 99 1HG GLN 99 -11.585 8.035 -1.382 730 1HE2 GLN 99 2HE22 GLN 99 -8.714 6.004 -0.479 731 2HE2 GLN 99 1HE21 GLN 99 -10.467 5.985 -0.423 732 H ASP 100 HN ASP 100 -12.759 6.338 -5.893 733 HA ASP 100 HA ASP 100 -14.189 3.872 -5.772 734 1HB ASP 100 1HB ASP 100 -15.230 4.646 -7.829 735 2HB ASP 100 2HB ASP 100 -15.105 5.993 -6.693 736 H LYS 101 HN LYS 101 -11.629 5.087 -7.959 737 HA LYS 101 HA LYS 101 -11.562 2.694 -9.526 738 1HB LYS 101 2HB LYS 101 -10.781 4.998 -10.251 739 2HB LYS 101 1HB LYS 101 -9.380 4.787 -9.203 740 1HG LYS 101 2HG LYS 101 -8.884 4.275 -11.572 741 2HG LYS 101 1HG LYS 101 -8.594 2.890 -10.518 742 1HD LYS 101 2HD LYS 101 -9.630 2.299 -12.674 743 2HD LYS 101 1HD LYS 101 -10.612 1.789 -11.305 744 1HE LYS 101 2HE LYS 101 -12.120 3.750 -11.645 745 2HE LYS 101 1HE LYS 101 -11.073 4.330 -12.955 746 1HZ LYS 101 2HZ LYS 101 -12.561 1.798 -12.926 747 2HZ LYS 101 3HZ LYS 101 -12.974 3.157 -13.762 748 3HZ LYS 101 1HZ LYS 101 -11.601 2.334 -14.156 749 H LEU 102 HN LEU 102 -9.726 3.832 -6.667 750 HA LEU 102 HA LEU 102 -7.844 1.713 -6.555 751 1HB LEU 102 1HB LEU 102 -7.687 3.711 -5.198 752 2HB LEU 102 2HB LEU 102 -9.146 3.321 -4.303 753 HG LEU 102 HG LEU 102 -6.911 2.979 -3.191 754 1HD1 LEU 102 1HD11 LEU 102 -9.010 2.155 -2.243 755 2HD1 LEU 102 3HD13 LEU 102 -8.813 0.614 -3.107 756 3HD1 LEU 102 2HD12 LEU 102 -7.650 1.092 -1.874 757 1HD2 LEU 102 3HD23 LEU 102 -5.798 1.774 -5.071 758 2HD2 LEU 102 1HD21 LEU 102 -5.692 0.937 -3.510 759 3HD2 LEU 102 2HD22 LEU 102 -6.825 0.364 -4.741 760 H LYS 103 HN LYS 103 -11.116 1.954 -4.983 761 HA LYS 103 HA LYS 103 -11.239 -0.650 -3.936 762 1HB LYS 103 1HB LYS 103 -13.372 1.191 -5.099 763 2HB LYS 103 2HB LYS 103 -13.742 -0.333 -4.292 764 1HG LYS 103 1HG LYS 103 -12.811 0.411 -2.217 765 2HG LYS 103 2HG LYS 103 -12.146 1.882 -2.943 766 1HD LYS 103 2HD LYS 103 -14.366 2.727 -3.463 767 2HD LYS 103 1HD LYS 103 -15.135 1.238 -2.894 768 1HE LYS 103 2HE LYS 103 -13.477 3.099 -1.123 769 2HE LYS 103 1HE LYS 103 -15.240 3.175 -1.277 770 1HZ LYS 103 2HZ LYS 103 -15.374 0.941 -0.476 771 2HZ LYS 103 1HZ LYS 103 -13.737 0.850 -0.317 772 3HZ LYS 103 3HZ LYS 103 -14.597 1.901 0.613 773 H ALA 104 HN ALA 104 -12.395 0.488 -7.158 774 HA ALA 104 HA ALA 104 -13.221 -2.001 -8.163 775 1HB ALA 104 2HB ALA 104 -13.679 0.187 -9.235 776 2HB ALA 104 3HB ALA 104 -11.968 0.318 -9.698 777 3HB ALA 104 1HB ALA 104 -12.974 -0.973 -10.380 778 H LEU 105 HN LEU 105 -9.946 -0.515 -8.280 779 HA LEU 105 HA LEU 105 -8.748 -2.550 -9.870 780 1HB LEU 105 1HB LEU 105 -7.643 -0.535 -7.879 781 2HB LEU 105 2HB LEU 105 -6.598 -1.697 -8.686 782 HG LEU 105 HG LEU 105 -8.403 0.189 -10.250 783 1HD1 LEU 105 3HD13 LEU 105 -5.492 0.532 -9.391 784 2HD1 LEU 105 1HD11 LEU 105 -6.349 1.535 -10.576 785 3HD1 LEU 105 2HD12 LEU 105 -6.869 1.539 -8.880 786 1HD2 LEU 105 1HD21 LEU 105 -5.923 -1.416 -10.996 787 2HD2 LEU 105 3HD23 LEU 105 -7.580 -1.752 -11.545 788 3HD2 LEU 105 2HD22 LEU 105 -6.771 -0.270 -12.054 789 H VAL 106 HN VAL 106 -8.924 -2.177 -6.242 790 HA VAL 106 HA VAL 106 -7.430 -4.586 -5.839 791 HB VAL 106 HB VAL 106 -9.611 -3.590 -3.958 792 1HG1 VAL 106 1HG21 VAL 106 -8.646 -5.879 -3.521 793 2HG1 VAL 106 3HG23 VAL 106 -7.020 -5.181 -3.547 794 3HG1 VAL 106 2HG22 VAL 106 -8.164 -4.710 -2.284 795 1HG2 VAL 106 1HG11 VAL 106 -6.684 -2.752 -4.174 796 2HG2 VAL 106 2HG12 VAL 106 -8.102 -1.703 -4.301 797 3HG2 VAL 106 3HG13 VAL 106 -7.720 -2.443 -2.760 798 H ALA 107 HN ALA 107 -10.947 -4.036 -6.110 799 HA ALA 107 HA ALA 107 -11.807 -6.709 -5.793 800 1HB ALA 107 3HB ALA 107 -13.337 -4.752 -5.966 801 2HB ALA 107 2HB ALA 107 -12.972 -4.620 -7.696 802 3HB ALA 107 1HB ALA 107 -13.797 -6.059 -7.075 803 H LYS 108 HN LYS 108 -10.903 -5.091 -8.867 804 HA LYS 108 HA LYS 108 -11.152 -7.322 -10.586 805 1HB LYS 108 2HB LYS 108 -10.932 -5.155 -11.491 806 2HB LYS 108 1HB LYS 108 -9.475 -4.791 -10.568 807 1HG LYS 108 1HG LYS 108 -8.135 -6.334 -11.919 808 2HG LYS 108 2HG LYS 108 -9.540 -6.770 -12.881 809 1HD LYS 108 2HD LYS 108 -8.366 -3.960 -12.607 810 2HD LYS 108 1HD LYS 108 -8.005 -5.092 -13.919 811 1HE LYS 108 2HE LYS 108 -10.434 -5.100 -14.548 812 2HE LYS 108 1HE LYS 108 -10.734 -3.864 -13.309 813 1HZ LYS 108 3HZ LYS 108 -9.195 -2.439 -14.439 814 2HZ LYS 108 1HZ LYS 108 -8.931 -3.577 -15.601 815 3HZ LYS 108 2HZ LYS 108 -10.422 -2.895 -15.441 816 H HIS 109 HN HIS 109 -8.153 -6.032 -9.111 817 HA HIS 109 HA HIS 109 -6.591 -8.238 -10.095 818 1HB HIS 109 1HB HIS 109 -5.999 -5.936 -8.198 819 2HB HIS 109 2HB HIS 109 -4.794 -7.092 -8.771 820 HD2 HIS 109 HD2 HIS 109 -6.525 -3.903 -10.061 821 HE1 HIS 109 HE1 HIS 109 -4.633 -5.694 -13.367 822 HE2 HIS 109 HE2 HIS 109 -5.828 -3.606 -12.567 823 H ALA 110 HN ALA 110 -8.499 -7.977 -7.193 824 HA ALA 110 HA ALA 110 -7.102 -10.368 -6.058 825 1HB ALA 110 1HB ALA 110 -7.533 -8.331 -4.603 826 2HB ALA 110 3HB ALA 110 -9.271 -8.636 -4.821 827 3HB ALA 110 2HB ALA 110 -8.254 -9.845 -4.019 828 H ALA 111 HN ALA 111 -9.198 -10.089 -8.489 829 HA ALA 111 HA ALA 111 -11.545 -11.391 -7.631 830 1HB ALA 111 1HB ALA 111 -10.124 -11.489 -10.327 831 2HB ALA 111 2HB ALA 111 -11.801 -11.994 -10.029 832 3HB ALA 111 3HB ALA 111 -11.343 -10.295 -9.812 833 H ALA 112 HN ALA 112 -8.328 -12.742 -8.319 834 HA ALA 112 HA ALA 112 -8.984 -15.259 -7.154 835 1HB ALA 112 3HB ALA 112 -8.322 -15.131 -10.139 836 2HB ALA 112 2HB ALA 112 -8.344 -16.602 -9.145 837 3HB ALA 112 1HB ALA 112 -9.852 -15.714 -9.440 No H/Q in entry = 837 Start of MODEL 3 1 1H GLY 1 2HN GLY 1 -0.348 -12.015 1.289 2 2H GLY 1 1HN GLY 1 0.373 -13.499 1.076 3 3H GLY 1 3HN GLY 1 -1.325 -13.281 1.047 4 1HA GLY 1 1HA GLY 1 -1.111 -14.005 3.186 5 2HA GLY 1 2HA GLY 1 0.445 -13.157 3.362 6 H GLY 2 HN GLY 2 -1.454 -12.529 5.324 7 1HA GLY 2 1HA GLY 2 -3.042 -10.209 4.567 8 2HA GLY 2 2HA GLY 2 -2.735 -10.828 6.198 9 H SER 3 HN SER 3 -0.608 -9.625 3.572 10 HA SER 3 HA SER 3 1.154 -8.209 5.388 11 1HB SER 3 1HB SER 3 0.965 -8.318 2.373 12 2HB SER 3 2HB SER 3 2.393 -7.823 3.308 13 HG SER 3 HG SER 3 2.389 -9.996 4.167 14 H VAL 4 HN VAL 4 -0.657 -6.903 6.223 15 HA VAL 4 HA VAL 4 -1.402 -4.550 4.538 16 HB VAL 4 HB VAL 4 -2.482 -5.702 7.162 17 1HG1 VAL 4 3HG23 VAL 4 -3.141 -3.140 5.704 18 2HG1 VAL 4 1HG21 VAL 4 -4.347 -3.968 6.730 19 3HG1 VAL 4 2HG22 VAL 4 -2.828 -3.398 7.420 20 1HG2 VAL 4 1HG11 VAL 4 -3.604 -5.691 4.338 21 2HG2 VAL 4 3HG13 VAL 4 -3.150 -7.087 5.320 22 3HG2 VAL 4 2HG12 VAL 4 -4.536 -6.104 5.795 23 H ILE 5 HN ILE 5 0.354 -3.081 4.654 24 HA ILE 5 HA ILE 5 0.788 -2.047 7.393 25 HB ILE 5 HB ILE 5 3.269 -1.988 7.018 26 1HG1 ILE 5 2HG12 ILE 5 2.621 -4.130 4.956 27 2HG1 ILE 5 1HG11 ILE 5 3.230 -2.533 4.565 28 1HG2 ILE 5 1HG21 ILE 5 2.085 -3.578 8.572 29 2HG2 ILE 5 3HG23 ILE 5 2.173 -4.811 7.290 30 3HG2 ILE 5 2HG22 ILE 5 3.653 -4.135 7.993 31 1HD1 ILE 5 2HD12 ILE 5 5.256 -3.068 6.074 32 2HD1 ILE 5 1HD11 ILE 5 4.697 -4.752 6.010 33 3HD1 ILE 5 3HD13 ILE 5 5.139 -3.896 4.516 34 H VAL 6 HN VAL 6 0.862 -0.042 7.476 35 HA VAL 6 HA VAL 6 0.840 1.682 5.087 36 HB VAL 6 HB VAL 6 0.530 2.379 8.045 37 1HG1 VAL 6 1HG11 VAL 6 1.048 4.348 6.570 38 2HG1 VAL 6 3HG13 VAL 6 -0.345 3.908 5.556 39 3HG1 VAL 6 2HG12 VAL 6 -0.582 4.407 7.241 40 1HG2 VAL 6 2HG22 VAL 6 -1.602 1.752 5.953 41 2HG2 VAL 6 3HG23 VAL 6 -1.264 0.816 7.424 42 3HG2 VAL 6 1HG21 VAL 6 -1.919 2.448 7.555 43 H ILE 7 HN ILE 7 3.111 0.547 4.936 44 HA ILE 7 HA ILE 7 5.165 1.709 6.698 45 HB ILE 7 HB ILE 7 4.907 -0.742 6.089 46 1HG1 ILE 7 1HG11 ILE 7 7.142 -1.314 6.069 47 2HG1 ILE 7 2HG12 ILE 7 7.717 0.251 5.471 48 1HG2 ILE 7 3HG23 ILE 7 4.539 -0.372 3.628 49 2HG2 ILE 7 1HG21 ILE 7 6.256 0.080 3.481 50 3HG2 ILE 7 2HG22 ILE 7 5.804 -1.550 3.986 51 1HD1 ILE 7 1HD11 ILE 7 6.340 -0.312 8.146 52 2HD1 ILE 7 2HD12 ILE 7 8.094 -0.226 7.898 53 3HD1 ILE 7 3HD13 ILE 7 7.111 1.229 7.669 54 H ASP 8 HN ASP 8 7.347 2.138 5.429 55 HA ASP 8 HA ASP 8 6.807 4.070 3.223 56 1HB ASP 8 1HB ASP 8 8.312 5.571 4.402 57 2HB ASP 8 2HB ASP 8 7.035 5.073 5.515 58 H SER 9 HN SER 9 9.221 1.953 4.731 59 HA SER 9 HA SER 9 11.329 2.867 3.092 60 1HB SER 9 2HB SER 9 12.686 1.326 4.373 61 2HB SER 9 1HB SER 9 11.488 2.065 5.444 62 HG SER 9 HG SER 9 11.381 -0.084 5.870 63 H LYS 10 HN LYS 10 12.780 1.822 1.804 64 HA LYS 10 HA LYS 10 11.900 0.215 -0.330 65 1HB LYS 10 2HB LYS 10 13.931 1.671 -0.303 66 2HB LYS 10 1HB LYS 10 14.682 0.615 0.870 67 1HG LYS 10 2HG LYS 10 15.590 0.221 -1.343 68 2HG LYS 10 1HG LYS 10 14.810 -1.236 -0.720 69 1HD LYS 10 1HD LYS 10 12.802 -0.787 -2.102 70 2HD LYS 10 2HD LYS 10 13.534 0.725 -2.672 71 1HE LYS 10 2HE LYS 10 14.651 -2.090 -3.122 72 2HE LYS 10 1HE LYS 10 13.691 -1.179 -4.297 73 1HZ LYS 10 2HZ LYS 10 15.393 0.499 -4.308 74 2HZ LYS 10 3HZ LYS 10 16.308 -0.372 -3.248 75 3HZ LYS 10 1HZ LYS 10 15.996 -0.970 -4.749 76 H ALA 11 HN ALA 11 13.721 -0.449 2.598 77 HA ALA 11 HA ALA 11 14.223 -3.200 2.399 78 1HB ALA 11 2HB ALA 11 13.507 -1.592 4.901 79 2HB ALA 11 1HB ALA 11 14.283 -3.190 4.879 80 3HB ALA 11 3HB ALA 11 15.131 -1.785 4.203 81 H ALA 12 HN ALA 12 11.317 -1.567 3.853 82 HA ALA 12 HA ALA 12 9.921 -3.993 4.360 83 1HB ALA 12 3HB ALA 12 8.859 -1.187 3.836 84 2HB ALA 12 2HB ALA 12 7.949 -2.566 4.494 85 3HB ALA 12 1HB ALA 12 9.317 -1.883 5.413 86 H TRP 13 HN TRP 13 9.752 -1.708 1.572 87 HA TRP 13 HA TRP 13 7.783 -2.932 0.018 88 1HB TRP 13 2HB TRP 13 8.700 -0.884 -0.703 89 2HB TRP 13 1HB TRP 13 10.345 -1.455 -0.646 90 HD1 TRP 13 HD1 TRP 13 11.094 -3.236 -2.651 91 HE1 TRP 13 HE1 TRP 13 10.522 -3.162 -5.143 92 HE3 TRP 13 HE3 TRP 13 7.093 -0.044 -2.489 93 HZ2 TRP 13 HZ2 TRP 13 8.671 -1.857 -6.845 94 HZ3 TRP 13 HZ3 TRP 13 6.005 0.664 -4.603 95 HH2 TRP 13 HH2 TRP 13 6.725 -0.303 -6.773 96 H ASP 14 HN ASP 14 11.289 -3.621 -0.101 97 HA ASP 14 HA ASP 14 11.165 -5.809 -1.888 98 1HB ASP 14 1HB ASP 14 13.161 -4.490 -1.301 99 2HB ASP 14 2HB ASP 14 13.212 -5.210 0.306 100 H ALA 15 HN ALA 15 11.547 -5.805 1.628 101 HA ALA 15 HA ALA 15 11.565 -8.548 2.111 102 1HB ALA 15 1HB ALA 15 10.309 -6.370 3.844 103 2HB ALA 15 3HB ALA 15 10.730 -8.006 4.386 104 3HB ALA 15 2HB ALA 15 12.007 -6.892 3.864 105 H GLN 16 HN GLN 16 8.654 -6.484 2.330 106 HA GLN 16 HA GLN 16 6.811 -8.653 2.651 107 1HB GLN 16 2HB GLN 16 6.527 -5.750 1.896 108 2HB GLN 16 1HB GLN 16 5.233 -6.874 1.501 109 1HG GLN 16 1HG GLN 16 4.764 -5.981 3.637 110 2HG GLN 16 2HG GLN 16 5.068 -7.697 3.777 111 1HE2 GLN 16 1HE21 GLN 16 8.006 -5.201 5.315 112 2HE2 GLN 16 2HE22 GLN 16 7.508 -4.993 3.640 113 H LEU 17 HN LEU 17 7.813 -6.896 -0.314 114 HA LEU 17 HA LEU 17 6.226 -8.243 -2.144 115 1HB LEU 17 1HB LEU 17 7.605 -6.299 -2.651 116 2HB LEU 17 2HB LEU 17 9.093 -7.238 -2.478 117 HG LEU 17 HG LEU 17 8.481 -8.548 -4.495 118 1HD1 LEU 17 2HD12 LEU 17 6.055 -6.687 -4.611 119 2HD1 LEU 17 1HD11 LEU 17 6.583 -7.766 -5.919 120 3HD1 LEU 17 3HD13 LEU 17 6.018 -8.450 -4.397 121 1HD2 LEU 17 1HD21 LEU 17 9.798 -6.463 -4.704 122 2HD2 LEU 17 3HD23 LEU 17 8.764 -6.726 -6.121 123 3HD2 LEU 17 2HD22 LEU 17 8.297 -5.531 -4.896 124 H ALA 18 HN ALA 18 8.829 -9.683 -0.283 125 HA ALA 18 HA ALA 18 8.776 -12.123 -2.011 126 1HB ALA 18 3HB ALA 18 10.991 -11.202 -1.497 127 2HB ALA 18 2HB ALA 18 10.653 -11.296 0.242 128 3HB ALA 18 1HB ALA 18 10.750 -12.782 -0.725 129 H LYS 19 HN LYS 19 8.627 -11.180 1.504 130 HA LYS 19 HA LYS 19 7.837 -13.853 2.232 131 1HB LYS 19 1HB LYS 19 7.631 -13.078 4.455 132 2HB LYS 19 2HB LYS 19 9.082 -12.379 3.745 133 1HG LYS 19 1HG LYS 19 8.036 -10.259 3.465 134 2HG LYS 19 2HG LYS 19 6.449 -10.823 3.980 135 1HD LYS 19 2HD LYS 19 8.858 -11.017 5.832 136 2HD LYS 19 1HD LYS 19 8.050 -9.468 5.581 137 1HE LYS 19 2HE LYS 19 7.165 -10.517 7.572 138 2HE LYS 19 1HE LYS 19 5.905 -10.357 6.342 139 1HZ LYS 19 1HZ LYS 19 7.416 -12.814 6.916 140 2HZ LYS 19 2HZ LYS 19 5.888 -12.488 7.439 141 3HZ LYS 19 3HZ LYS 19 6.184 -12.659 5.829 142 H GLY 20 HN GLY 20 5.820 -11.256 0.996 143 1HA GLY 20 1HA GLY 20 3.425 -11.986 2.403 144 2HA GLY 20 2HA GLY 20 3.545 -11.082 0.895 145 H LYS 21 HN LYS 21 5.223 -13.690 0.041 146 HA LYS 21 HA LYS 21 4.948 -15.607 -1.084 147 1HB LYS 21 2HB LYS 21 2.265 -15.936 0.340 148 2HB LYS 21 1HB LYS 21 3.167 -17.176 -0.512 149 1HG LYS 21 2HG LYS 21 3.979 -15.736 2.046 150 2HG LYS 21 1HG LYS 21 3.478 -17.418 1.888 151 1HD LYS 21 2HD LYS 21 6.059 -16.170 0.828 152 2HD LYS 21 1HD LYS 21 5.882 -17.272 2.189 153 1HE LYS 21 2HE LYS 21 5.049 -19.058 0.649 154 2HE LYS 21 1HE LYS 21 5.303 -17.976 -0.732 155 1HZ LYS 21 3HZ LYS 21 7.610 -17.884 -0.179 156 2HZ LYS 21 1HZ LYS 21 7.389 -18.907 1.096 157 3HZ LYS 21 2HZ LYS 21 7.125 -19.435 -0.443 158 H GLU 22 HN GLU 22 4.706 -13.573 -2.425 159 HA GLU 22 HA GLU 22 2.392 -12.933 -3.921 160 1HB GLU 22 1HB GLU 22 5.387 -12.463 -4.315 161 2HB GLU 22 2HB GLU 22 4.141 -11.843 -5.387 162 1HG GLU 22 1HG GLU 22 4.607 -10.089 -3.934 163 2HG GLU 22 2HG GLU 22 3.025 -10.712 -3.449 164 H GLU 23 HN GLU 23 1.977 -15.311 -4.136 165 HA GLU 23 HA GLU 23 2.796 -16.288 -6.835 166 1HB GLU 23 1HB GLU 23 2.014 -17.967 -4.426 167 2HB GLU 23 2HB GLU 23 2.350 -18.461 -6.109 168 1HG GLU 23 1HG GLU 23 4.691 -17.691 -5.889 169 2HG GLU 23 2HG GLU 23 4.363 -17.046 -4.273 170 H HIS 24 HN HIS 24 1.287 -15.320 -7.752 171 HA HIS 24 HA HIS 24 -0.685 -14.905 -8.870 172 1HB HIS 24 1HB HIS 24 -0.850 -17.408 -8.727 173 2HB HIS 24 2HB HIS 24 -1.909 -17.224 -7.327 174 HD2 HIS 24 HD2 HIS 24 -3.521 -14.542 -8.938 175 HE1 HIS 24 HE1 HIS 24 -4.712 -17.715 -11.447 176 HE2 HIS 24 HE2 HIS 24 -5.183 -15.282 -10.767 177 H LYS 25 HN LYS 25 -0.532 -12.880 -7.501 178 HA LYS 25 HA LYS 25 -3.096 -12.289 -6.414 179 1HB LYS 25 1HB LYS 25 -2.341 -11.795 -4.054 180 2HB LYS 25 2HB LYS 25 -2.521 -13.490 -4.453 181 1HG LYS 25 2HG LYS 25 0.040 -13.521 -4.864 182 2HG LYS 25 1HG LYS 25 0.056 -11.889 -4.183 183 1HD LYS 25 2HD LYS 25 0.643 -13.500 -2.486 184 2HD LYS 25 1HD LYS 25 -0.901 -12.815 -2.053 185 1HE LYS 25 1HE LYS 25 -2.111 -14.798 -2.719 186 2HE LYS 25 2HE LYS 25 -0.714 -15.424 -3.598 187 1HZ LYS 25 2HZ LYS 25 0.418 -15.668 -1.532 188 2HZ LYS 25 3HZ LYS 25 -0.895 -15.114 -0.692 189 3HZ LYS 25 1HZ LYS 25 -0.989 -16.525 -1.541 190 HA PRO 26 HA PRO 26 -1.422 -8.268 -7.198 191 1HB PRO 26 1HB PRO 26 -3.322 -6.607 -6.301 192 2HB PRO 26 2HB PRO 26 -3.661 -7.804 -7.589 193 1HG PRO 26 1HG PRO 26 -4.108 -8.148 -4.627 194 2HG PRO 26 2HG PRO 26 -5.369 -8.287 -5.867 195 1HD PRO 26 2HD PRO 26 -4.013 -10.466 -4.923 196 2HD PRO 26 1HD PRO 26 -4.330 -10.335 -6.676 197 H ILE 27 HN ILE 27 0.096 -6.976 -6.432 198 HA ILE 27 HA ILE 27 0.249 -6.453 -3.523 199 HB ILE 27 HB ILE 27 2.417 -6.144 -5.649 200 1HG1 ILE 27 2HG12 ILE 27 3.499 -7.938 -4.038 201 2HG1 ILE 27 1HG11 ILE 27 1.821 -8.363 -3.688 202 1HG2 ILE 27 2HG22 ILE 27 2.494 -5.800 -2.628 203 2HG2 ILE 27 3HG23 ILE 27 3.883 -5.693 -3.727 204 3HG2 ILE 27 1HG21 ILE 27 2.592 -4.498 -3.827 205 1HD1 ILE 27 2HD12 ILE 27 3.098 -8.283 -6.455 206 2HD1 ILE 27 1HD11 ILE 27 2.831 -9.744 -5.502 207 3HD1 ILE 27 3HD13 ILE 27 1.447 -8.843 -6.084 208 H VAL 28 HN VAL 28 -0.971 -4.752 -3.142 209 HA VAL 28 HA VAL 28 -1.269 -2.613 -5.191 210 HB VAL 28 HB VAL 28 -2.826 -3.105 -2.622 211 1HG1 VAL 28 3HG13 VAL 28 -2.748 -0.725 -3.410 212 2HG1 VAL 28 1HG11 VAL 28 -3.303 -1.245 -5.008 213 3HG1 VAL 28 2HG12 VAL 28 -4.368 -1.428 -3.600 214 1HG2 VAL 28 3HG23 VAL 28 -3.196 -4.895 -4.375 215 2HG2 VAL 28 1HG21 VAL 28 -4.623 -3.921 -4.025 216 3HG2 VAL 28 2HG22 VAL 28 -3.686 -3.618 -5.503 217 H VAL 29 HN VAL 29 0.330 -1.144 -4.956 218 HA VAL 29 HA VAL 29 1.297 -0.575 -2.177 219 HB VAL 29 HB VAL 29 2.930 -1.762 -3.463 220 1HG1 VAL 29 1HG11 VAL 29 2.377 -0.880 -5.750 221 2HG1 VAL 29 3HG13 VAL 29 3.128 0.663 -5.290 222 3HG1 VAL 29 2HG12 VAL 29 4.097 -0.819 -5.337 223 1HG2 VAL 29 3HG23 VAL 29 3.440 -0.022 -1.676 224 2HG2 VAL 29 2HG22 VAL 29 4.741 -0.363 -2.812 225 3HG2 VAL 29 1HG21 VAL 29 3.769 1.116 -2.992 226 H ASP 30 HN ASP 30 0.865 1.296 -1.400 227 HA ASP 30 HA ASP 30 -0.128 3.508 -3.071 228 1HB ASP 30 2HB ASP 30 -1.275 2.877 -1.011 229 2HB ASP 30 1HB ASP 30 0.160 3.168 -0.059 230 H PHE 31 HN PHE 31 1.511 4.534 -4.123 231 HA PHE 31 HA PHE 31 4.004 5.307 -2.696 232 1HB PHE 31 1HB PHE 31 2.965 5.871 -5.483 233 2HB PHE 31 2HB PHE 31 4.394 6.613 -4.801 234 HD1 PHE 31 HD2 PHE 31 2.976 3.421 -6.062 235 HD2 PHE 31 HD1 PHE 31 6.488 5.427 -4.560 236 HE1 PHE 31 HE2 PHE 31 4.439 1.827 -7.283 237 HE2 PHE 31 HE1 PHE 31 7.923 3.834 -5.753 238 HZ PHE 31 HZ PHE 31 6.912 2.061 -7.175 239 H THR 32 HN THR 32 3.889 6.983 -1.315 240 HA THR 32 HA THR 32 2.207 9.338 -1.933 241 HB THR 32 HB THR 32 1.883 7.387 0.353 242 HG1 THR 32 HG1 THR 32 0.294 7.345 -1.192 243 1HG2 THR 32 1HG21 THR 32 1.236 10.354 0.561 244 2HG2 THR 32 3HG23 THR 32 0.595 9.092 1.624 245 3HG2 THR 32 2HG22 THR 32 2.330 9.428 1.617 246 H ALA 33 HN ALA 33 2.821 11.151 -0.496 247 HA ALA 33 HA ALA 33 5.688 11.053 0.339 248 1HB ALA 33 1HB ALA 33 5.222 12.456 -1.738 249 2HB ALA 33 2HB ALA 33 4.151 13.455 -0.749 250 3HB ALA 33 3HB ALA 33 5.865 13.335 -0.344 251 H THR 34 HN THR 34 6.166 12.646 2.039 252 HA THR 34 HA THR 34 4.199 12.501 4.207 253 HB THR 34 HB THR 34 6.017 13.749 5.434 254 HG1 THR 34 HG1 THR 34 7.568 13.328 3.089 255 1HG2 THR 34 1HG21 THR 34 5.936 11.267 5.418 256 2HG2 THR 34 3HG23 THR 34 6.916 11.231 3.938 257 3HG2 THR 34 2HG22 THR 34 7.608 11.858 5.449 258 H TRP 35 HN TRP 35 5.981 15.123 2.670 259 HA TRP 35 HA TRP 35 4.722 17.332 3.673 260 1HB TRP 35 1HB TRP 35 5.478 18.504 1.597 261 2HB TRP 35 2HB TRP 35 6.704 17.538 2.407 262 HD1 TRP 35 HD1 TRP 35 7.811 15.543 1.089 263 HE1 TRP 35 HE1 TRP 35 7.732 14.737 -1.302 264 HE3 TRP 35 HE3 TRP 35 3.800 18.305 -0.578 265 HZ2 TRP 35 HZ2 TRP 35 6.149 15.189 -3.672 266 HZ3 TRP 35 HZ3 TRP 35 3.020 18.049 -2.912 267 HH2 TRP 35 HH2 TRP 35 4.166 16.481 -4.461 268 H CYS 36 HN CYS 36 3.314 15.280 1.113 269 HA CYS 36 HA CYS 36 1.272 17.281 0.451 270 1HB CYS 36 1HB CYS 36 0.327 15.648 -0.996 271 2HB CYS 36 2HB CYS 36 2.065 15.705 -1.237 272 H GLY 37 HN GLY 37 1.128 17.224 3.054 273 1HA GLY 37 1HA GLY 37 0.076 15.802 4.872 274 2HA GLY 37 2HA GLY 37 -0.738 17.327 4.504 275 HA PRO 38 HA PRO 38 -4.666 15.608 3.580 276 1HB PRO 38 2HB PRO 38 -4.131 16.012 0.617 277 2HB PRO 38 1HB PRO 38 -5.651 16.309 1.515 278 1HG PRO 38 2HG PRO 38 -4.010 18.393 1.011 279 2HG PRO 38 1HG PRO 38 -4.662 18.191 2.665 280 1HD PRO 38 2HD PRO 38 -1.930 17.441 1.627 281 2HD PRO 38 1HD PRO 38 -2.369 18.234 3.167 282 H CYS 39 HN CYS 39 -2.167 14.363 1.393 283 HA CYS 39 HA CYS 39 -3.169 11.998 0.403 284 1HB CYS 39 1HB CYS 39 -0.426 12.551 1.602 285 2HB CYS 39 2HB CYS 39 -0.862 11.102 0.708 286 H LYS 40 HN LYS 40 -1.936 12.669 3.684 287 HA LYS 40 HA LYS 40 -1.769 10.023 4.637 288 1HB LYS 40 1HB LYS 40 -0.816 12.195 5.562 289 2HB LYS 40 2HB LYS 40 -2.405 12.507 6.286 290 1HG LYS 40 1HG LYS 40 -2.213 10.344 7.532 291 2HG LYS 40 2HG LYS 40 -0.630 10.063 6.796 292 1HD LYS 40 2HD LYS 40 -1.364 12.397 8.626 293 2HD LYS 40 1HD LYS 40 -0.471 10.943 9.099 294 1HE LYS 40 2HE LYS 40 1.324 11.562 7.406 295 2HE LYS 40 1HE LYS 40 0.464 13.093 7.140 296 1HZ LYS 40 1HZ LYS 40 0.741 13.594 9.443 297 2HZ LYS 40 2HZ LYS 40 1.548 12.180 9.701 298 3HZ LYS 40 3HZ LYS 40 2.197 13.333 8.719 299 H MET 41 HN MET 41 -4.620 12.065 4.196 300 HA MET 41 HA MET 41 -6.322 10.616 6.085 301 1HB MET 41 2HB MET 41 -7.031 12.374 3.682 302 2HB MET 41 1HB MET 41 -8.131 11.847 4.961 303 1HG MET 41 2HG MET 41 -6.853 13.115 6.635 304 2HG MET 41 1HG MET 41 -5.671 13.593 5.416 305 1HE MET 41 2HE MET 41 -9.305 13.948 6.682 306 2HE MET 41 3HE MET 41 -9.965 15.231 5.640 307 3HE MET 41 1HE MET 41 -9.677 13.611 4.970 308 H ILE 42 HN ILE 42 -5.140 9.875 2.872 309 HA ILE 42 HA ILE 42 -7.405 8.062 2.348 310 HB ILE 42 HB ILE 42 -4.772 8.519 0.878 311 1HG1 ILE 42 1HG11 ILE 42 -6.532 9.290 -0.877 312 2HG1 ILE 42 2HG12 ILE 42 -7.666 9.426 0.466 313 1HG2 ILE 42 3HG23 ILE 42 -7.156 6.734 0.256 314 2HG2 ILE 42 1HG21 ILE 42 -5.877 7.151 -0.902 315 3HG2 ILE 42 2HG22 ILE 42 -5.479 6.220 0.543 316 1HD1 ILE 42 3HD13 ILE 42 -4.997 10.853 0.161 317 2HD1 ILE 42 1HD11 ILE 42 -6.581 11.577 -0.151 318 3HD1 ILE 42 2HD12 ILE 42 -6.142 11.151 1.490 319 H ALA 43 HN ALA 43 -4.227 7.986 3.876 320 HA ALA 43 HA ALA 43 -3.600 5.292 3.754 321 1HB ALA 43 3HB ALA 43 -2.152 7.031 4.742 322 2HB ALA 43 1HB ALA 43 -3.182 7.087 6.186 323 3HB ALA 43 2HB ALA 43 -2.315 5.603 5.781 324 HA PRO 44 HA PRO 44 -6.256 4.138 7.593 325 1HB PRO 44 1HB PRO 44 -8.477 5.662 8.222 326 2HB PRO 44 2HB PRO 44 -6.871 5.851 8.979 327 1HG PRO 44 1HG PRO 44 -8.008 7.424 6.651 328 2HG PRO 44 2HG PRO 44 -7.217 8.061 8.122 329 1HD PRO 44 1HD PRO 44 -5.811 7.784 5.873 330 2HD PRO 44 2HD PRO 44 -5.079 7.281 7.414 331 H LEU 45 HN LEU 45 -7.977 5.900 5.018 332 HA LEU 45 HA LEU 45 -10.168 4.059 4.715 333 1HB LEU 45 2HB LEU 45 -8.879 6.219 3.098 334 2HB LEU 45 1HB LEU 45 -9.664 4.983 2.136 335 HG LEU 45 HG LEU 45 -11.040 7.001 2.684 336 1HD1 LEU 45 1HD11 LEU 45 -12.062 4.915 1.920 337 2HD1 LEU 45 3HD13 LEU 45 -12.190 4.333 3.594 338 3HD1 LEU 45 2HD12 LEU 45 -13.107 5.762 3.073 339 1HD2 LEU 45 3HD23 LEU 45 -10.305 7.263 5.060 340 2HD2 LEU 45 1HD21 LEU 45 -12.068 7.259 4.853 341 3HD2 LEU 45 2HD22 LEU 45 -11.257 5.826 5.495 342 H PHE 46 HN PHE 46 -7.081 4.240 2.986 343 HA PHE 46 HA PHE 46 -7.314 1.861 1.466 344 1HB PHE 46 2HB PHE 46 -5.654 3.608 1.030 345 2HB PHE 46 1HB PHE 46 -4.930 3.374 2.611 346 HD1 PHE 46 HD1 PHE 46 -5.757 1.307 -0.450 347 HD2 PHE 46 HD2 PHE 46 -2.855 2.285 2.591 348 HE1 PHE 46 HE1 PHE 46 -4.050 -0.034 -1.632 349 HE2 PHE 46 HE2 PHE 46 -1.162 0.920 1.410 350 HZ PHE 46 HZ PHE 46 -1.753 -0.284 -0.672 351 H GLU 47 HN GLU 47 -5.943 2.398 4.765 352 HA GLU 47 HA GLU 47 -5.130 -0.261 5.240 353 1HB GLU 47 2HB GLU 47 -4.493 1.746 6.556 354 2HB GLU 47 1HB GLU 47 -6.126 1.803 7.243 355 1HG GLU 47 1HG GLU 47 -5.780 -0.380 8.317 356 2HG GLU 47 2HG GLU 47 -4.220 -0.567 7.493 357 H THR 48 HN THR 48 -8.293 1.343 5.795 358 HA THR 48 HA THR 48 -9.590 -0.833 7.104 359 HB THR 48 HB THR 48 -10.813 1.263 5.242 360 HG1 THR 48 HG1 THR 48 -9.605 2.180 6.965 361 1HG2 THR 48 2HG22 THR 48 -12.026 -0.351 7.518 362 2HG2 THR 48 3HG23 THR 48 -12.824 0.952 6.615 363 3HG2 THR 48 1HG21 THR 48 -12.392 -0.554 5.785 364 H LEU 49 HN LEU 49 -9.380 0.084 3.620 365 HA LEU 49 HA LEU 49 -10.727 -2.214 2.626 366 1HB LEU 49 1HB LEU 49 -10.103 -0.074 1.372 367 2HB LEU 49 2HB LEU 49 -8.449 -0.694 1.280 368 HG LEU 49 HG LEU 49 -9.371 -2.696 0.030 369 1HD1 LEU 49 1HD21 LEU 49 -11.904 -1.015 0.317 370 2HD1 LEU 49 2HD22 LEU 49 -11.704 -2.182 -1.001 371 3HD1 LEU 49 3HD23 LEU 49 -11.688 -2.738 0.679 372 1HD2 LEU 49 3HD13 LEU 49 -8.327 -0.765 -1.084 373 2HD2 LEU 49 1HD11 LEU 49 -9.650 -1.432 -2.055 374 3HD2 LEU 49 2HD12 LEU 49 -9.889 0.073 -1.138 375 H SER 50 HN SER 50 -7.332 -1.635 3.504 376 HA SER 50 HA SER 50 -6.234 -3.964 2.425 377 1HB SER 50 1HB SER 50 -5.308 -2.582 4.958 378 2HB SER 50 2HB SER 50 -4.395 -3.676 3.927 379 HG SER 50 HG SER 50 -5.477 -1.307 2.859 380 H ASN 51 HN ASN 51 -7.715 -3.409 5.594 381 HA ASN 51 HA ASN 51 -7.222 -6.025 6.666 382 1HB ASN 51 1HB ASN 51 -9.348 -3.923 7.238 383 2HB ASN 51 2HB ASN 51 -9.359 -5.510 8.006 384 1HD2 ASN 51 2HD22 ASN 51 -6.341 -2.915 9.048 385 2HD2 ASN 51 1HD21 ASN 51 -7.150 -2.655 7.508 386 H ASP 52 HN ASP 52 -9.992 -4.700 4.797 387 HA ASP 52 HA ASP 52 -11.711 -6.851 4.832 388 1HB ASP 52 1HB ASP 52 -12.209 -4.674 3.774 389 2HB ASP 52 2HB ASP 52 -11.143 -5.074 2.419 390 H TYR 53 HN TYR 53 -9.058 -6.470 2.386 391 HA TYR 53 HA TYR 53 -9.517 -9.350 1.618 392 1HB TYR 53 2HB TYR 53 -7.825 -7.345 0.141 393 2HB TYR 53 1HB TYR 53 -8.359 -8.922 -0.385 394 HD1 TYR 53 HD1 TYR 53 -9.533 -5.472 0.423 395 HD2 TYR 53 HD2 TYR 53 -10.169 -9.078 -1.842 396 HE1 TYR 53 HE1 TYR 53 -10.788 -4.204 -1.257 397 HE2 TYR 53 HE2 TYR 53 -11.490 -7.799 -3.485 398 HH TYR 53 HH TYR 53 -12.150 -4.302 -3.119 399 H ALA 54 HN ALA 54 -8.066 -8.640 4.143 400 HA ALA 54 HA ALA 54 -5.254 -8.765 3.645 401 1HB ALA 54 3HB ALA 54 -6.870 -9.461 6.134 402 2HB ALA 54 2HB ALA 54 -5.110 -9.213 6.076 403 3HB ALA 54 1HB ALA 54 -6.203 -7.873 5.703 404 H GLY 55 HN GLY 55 -5.481 -10.621 1.991 405 1HA GLY 55 1HA GLY 55 -4.541 -13.119 3.257 406 2HA GLY 55 2HA GLY 55 -6.061 -13.249 2.350 407 H LYS 56 HN LYS 56 -6.006 -12.460 0.032 408 HA LYS 56 HA LYS 56 -3.566 -13.354 -1.324 409 1HB LYS 56 2HB LYS 56 -6.150 -12.080 -2.335 410 2HB LYS 56 1HB LYS 56 -4.740 -12.436 -3.341 411 1HG LYS 56 2HG LYS 56 -4.911 -14.845 -2.785 412 2HG LYS 56 1HG LYS 56 -6.359 -14.496 -1.826 413 1HD LYS 56 2HD LYS 56 -7.071 -15.276 -3.986 414 2HD LYS 56 1HD LYS 56 -7.453 -13.553 -3.900 415 1HE LYS 56 1HE LYS 56 -5.448 -13.037 -5.303 416 2HE LYS 56 2HE LYS 56 -5.026 -14.760 -5.330 417 1HZ LYS 56 3HZ LYS 56 -7.470 -13.545 -6.416 418 2HZ LYS 56 1HZ LYS 56 -6.183 -14.019 -7.306 419 3HZ LYS 56 2HZ LYS 56 -7.075 -15.146 -6.498 420 H VAL 57 HN VAL 57 -5.317 -10.220 -0.825 421 HA VAL 57 HA VAL 57 -3.455 -8.902 -2.568 422 HB VAL 57 HB VAL 57 -5.484 -7.749 -0.655 423 1HG1 VAL 57 1HG11 VAL 57 -4.101 -6.602 -3.127 424 2HG1 VAL 57 3HG13 VAL 57 -5.464 -5.829 -2.317 425 3HG1 VAL 57 2HG12 VAL 57 -3.926 -6.026 -1.471 426 1HG2 VAL 57 3HG23 VAL 57 -5.926 -8.627 -3.516 427 2HG2 VAL 57 2HG22 VAL 57 -6.687 -9.273 -2.063 428 3HG2 VAL 57 1HG21 VAL 57 -7.029 -7.619 -2.565 429 H ILE 58 HN ILE 58 -1.558 -8.017 -2.118 430 HA ILE 58 HA ILE 58 -0.639 -7.811 0.719 431 HB ILE 58 HB ILE 58 0.939 -7.347 -1.827 432 1HG1 ILE 58 1HG11 ILE 58 0.150 -9.560 -2.134 433 2HG1 ILE 58 2HG12 ILE 58 1.821 -9.641 -1.596 434 1HG2 ILE 58 1HG21 ILE 58 1.762 -6.665 0.586 435 2HG2 ILE 58 2HG22 ILE 58 2.241 -8.378 0.641 436 3HG2 ILE 58 3HG23 ILE 58 2.843 -7.351 -0.640 437 1HD1 ILE 58 2HD12 ILE 58 1.063 -10.251 0.697 438 2HD1 ILE 58 3HD13 ILE 58 -0.623 -10.179 0.132 439 3HD1 ILE 58 1HD11 ILE 58 0.500 -11.364 -0.558 440 H PHE 59 HN PHE 59 -0.989 -5.788 1.667 441 HA PHE 59 HA PHE 59 -1.506 -3.452 -0.153 442 1HB PHE 59 2HB PHE 59 -2.472 -3.995 2.643 443 2HB PHE 59 1HB PHE 59 -2.664 -2.486 1.770 444 HD1 PHE 59 HD2 PHE 59 -3.728 -6.039 1.928 445 HD2 PHE 59 HD1 PHE 59 -4.227 -2.251 -0.075 446 HE1 PHE 59 HE2 PHE 59 -5.987 -6.694 1.252 447 HE2 PHE 59 HE1 PHE 59 -6.419 -3.006 -0.953 448 HZ PHE 59 HZ PHE 59 -7.319 -5.215 -0.288 449 H LEU 60 HN LEU 60 0.383 -2.512 -0.384 450 HA LEU 60 HA LEU 60 2.114 -2.010 2.017 451 1HB LEU 60 1HB LEU 60 2.801 -2.213 -0.943 452 2HB LEU 60 2HB LEU 60 3.957 -1.918 0.378 453 HG LEU 60 HG LEU 60 2.343 -4.440 -0.199 454 1HD1 LEU 60 2HD22 LEU 60 4.349 -4.036 -1.607 455 2HD1 LEU 60 3HD23 LEU 60 5.347 -3.920 -0.143 456 3HD1 LEU 60 1HD21 LEU 60 4.549 -5.450 -0.558 457 1HD2 LEU 60 1HD11 LEU 60 4.225 -3.894 2.143 458 2HD2 LEU 60 2HD12 LEU 60 2.474 -4.187 2.263 459 3HD2 LEU 60 3HD13 LEU 60 3.524 -5.470 1.704 460 H LYS 61 HN LYS 61 3.331 -0.039 1.920 461 HA LYS 61 HA LYS 61 2.284 2.116 0.225 462 1HB LYS 61 1HB LYS 61 0.988 2.291 2.308 463 2HB LYS 61 2HB LYS 61 2.472 2.222 3.263 464 1HG LYS 61 2HG LYS 61 3.220 4.367 2.247 465 2HG LYS 61 1HG LYS 61 1.725 4.430 1.284 466 1HD LYS 61 2HD LYS 61 0.407 4.406 3.405 467 2HD LYS 61 1HD LYS 61 1.932 4.442 4.323 468 1HE LYS 61 1HE LYS 61 0.902 6.574 2.392 469 2HE LYS 61 2HE LYS 61 0.938 6.689 4.157 470 1HZ LYS 61 1HZ LYS 61 3.331 6.518 4.056 471 2HZ LYS 61 3HZ LYS 61 3.290 6.489 2.409 472 3HZ LYS 61 2HZ LYS 61 2.782 7.829 3.220 473 H VAL 62 HN VAL 62 3.941 3.729 -0.104 474 HA VAL 62 HA VAL 62 6.616 3.122 1.017 475 HB VAL 62 HB VAL 62 6.525 1.763 -0.975 476 1HG1 VAL 62 2HG22 VAL 62 4.706 3.024 -2.187 477 2HG1 VAL 62 3HG23 VAL 62 5.921 4.274 -2.536 478 3HG1 VAL 62 1HG21 VAL 62 6.112 2.633 -3.189 479 1HG2 VAL 62 1HG11 VAL 62 8.665 2.934 -0.549 480 2HG2 VAL 62 3HG13 VAL 62 8.388 2.675 -2.280 481 3HG2 VAL 62 2HG12 VAL 62 8.143 4.283 -1.587 482 H ASP 63 HN ASP 63 7.828 4.937 1.294 483 HA ASP 63 HA ASP 63 6.394 7.510 0.922 484 1HB ASP 63 1HB ASP 63 7.296 7.250 3.101 485 2HB ASP 63 2HB ASP 63 8.880 6.751 2.452 486 H VAL 64 HN VAL 64 6.706 8.445 -1.036 487 HA VAL 64 HA VAL 64 8.870 7.762 -2.784 488 HB VAL 64 HB VAL 64 8.139 9.656 -4.154 489 1HG1 VAL 64 3HG13 VAL 64 6.829 7.610 -4.283 490 2HG1 VAL 64 2HG12 VAL 64 5.759 8.156 -2.974 491 3HG1 VAL 64 1HG11 VAL 64 5.801 9.029 -4.515 492 1HG2 VAL 64 2HG22 VAL 64 6.504 10.474 -1.740 493 2HG2 VAL 64 3HG23 VAL 64 7.752 11.415 -2.577 494 3HG2 VAL 64 1HG21 VAL 64 6.219 11.072 -3.377 495 H ASP 65 HN ASP 65 8.606 10.168 -0.197 496 HA ASP 65 HA ASP 65 10.693 11.923 -1.083 497 1HB ASP 65 2HB ASP 65 9.792 11.367 1.762 498 2HB ASP 65 1HB ASP 65 10.740 12.737 1.181 499 H ALA 66 HN ALA 66 10.694 9.227 1.314 500 HA ALA 66 HA ALA 66 13.541 9.083 1.551 501 1HB ALA 66 1HB ALA 66 11.363 7.020 2.137 502 2HB ALA 66 2HB ALA 66 13.056 6.913 2.661 503 3HB ALA 66 3HB ALA 66 12.022 8.219 3.270 504 H VAL 67 HN VAL 67 11.228 6.868 -0.180 505 HA VAL 67 HA VAL 67 13.527 5.540 -1.458 506 HB VAL 67 HB VAL 67 10.597 4.890 -1.904 507 1HG1 VAL 67 1HG21 VAL 67 12.472 3.873 -3.301 508 2HG1 VAL 67 2HG22 VAL 67 13.133 3.181 -1.826 509 3HG1 VAL 67 3HG23 VAL 67 11.520 2.681 -2.385 510 1HG2 VAL 67 2HG12 VAL 67 12.396 4.010 0.397 511 2HG2 VAL 67 3HG13 VAL 67 10.816 4.824 0.518 512 3HG2 VAL 67 1HG11 VAL 67 10.914 3.167 -0.089 513 H ALA 68 HN ALA 68 13.793 7.928 -2.280 514 HA ALA 68 HA ALA 68 12.348 8.984 -4.421 515 1HB ALA 68 3HB ALA 68 14.166 10.161 -3.259 516 2HB ALA 68 2HB ALA 68 15.365 9.050 -3.958 517 3HB ALA 68 1HB ALA 68 14.448 10.147 -5.012 518 H ALA 69 HN ALA 69 15.058 6.649 -4.571 519 HA ALA 69 HA ALA 69 15.375 6.430 -7.324 520 1HB ALA 69 3HB ALA 69 15.621 4.241 -5.211 521 2HB ALA 69 1HB ALA 69 16.317 4.195 -6.845 522 3HB ALA 69 2HB ALA 69 16.878 5.408 -5.678 523 H VAL 70 HN VAL 70 13.223 4.362 -5.285 524 HA VAL 70 HA VAL 70 12.195 2.899 -7.554 525 HB VAL 70 HB VAL 70 10.967 3.261 -4.792 526 1HG1 VAL 70 1HG21 VAL 70 9.391 2.306 -6.485 527 2HG1 VAL 70 3HG23 VAL 70 10.562 1.016 -6.803 528 3HG1 VAL 70 2HG22 VAL 70 9.818 1.175 -5.197 529 1HG2 VAL 70 1HG11 VAL 70 12.841 1.120 -5.919 530 2HG2 VAL 70 2HG12 VAL 70 13.289 2.295 -4.675 531 3HG2 VAL 70 3HG13 VAL 70 12.051 1.069 -4.329 532 H ALA 71 HN ALA 71 11.045 5.702 -5.636 533 HA ALA 71 HA ALA 71 8.549 6.027 -6.884 534 1HB ALA 71 2HB ALA 71 9.284 7.257 -4.897 535 2HB ALA 71 3HB ALA 71 10.414 8.219 -5.869 536 3HB ALA 71 1HB ALA 71 8.667 8.361 -6.147 537 H GLU 72 HN GLU 72 11.698 7.544 -7.878 538 HA GLU 72 HA GLU 72 10.496 8.792 -10.192 539 1HB GLU 72 1HB GLU 72 12.687 9.472 -10.810 540 2HB GLU 72 2HB GLU 72 12.507 9.663 -9.063 541 1HG GLU 72 2HG GLU 72 13.756 7.465 -8.806 542 2HG GLU 72 1HG GLU 72 14.095 7.518 -10.539 543 H ALA 73 HN ALA 73 12.357 5.713 -9.720 544 HA ALA 73 HA ALA 73 12.480 4.972 -12.443 545 1HB ALA 73 3HB ALA 73 13.675 3.783 -10.644 546 2HB ALA 73 1HB ALA 73 12.130 3.195 -9.986 547 3HB ALA 73 2HB ALA 73 12.676 2.664 -11.590 548 H ALA 74 HN ALA 74 9.870 4.505 -10.043 549 HA ALA 74 HA ALA 74 8.092 3.151 -11.916 550 1HB ALA 74 3HB ALA 74 8.134 2.632 -9.512 551 2HB ALA 74 2HB ALA 74 7.637 4.290 -9.128 552 3HB ALA 74 1HB ALA 74 6.537 3.210 -10.007 553 H GLY 75 HN GLY 75 9.071 6.336 -11.873 554 1HA GLY 75 1HA GLY 75 8.257 8.250 -12.750 555 2HA GLY 75 2HA GLY 75 7.128 7.225 -13.658 556 H ILE 76 HN ILE 76 7.353 7.772 -10.096 557 HA ILE 76 HA ILE 76 4.476 8.205 -9.999 558 HB ILE 76 HB ILE 76 6.609 8.596 -7.856 559 1HG1 ILE 76 1HG11 ILE 76 6.560 6.298 -8.727 560 2HG1 ILE 76 2HG12 ILE 76 6.016 6.412 -7.061 561 1HG2 ILE 76 2HG22 ILE 76 3.569 8.496 -7.762 562 2HG2 ILE 76 1HG21 ILE 76 4.586 8.253 -6.330 563 3HG2 ILE 76 3HG23 ILE 76 4.635 9.789 -7.195 564 1HD1 ILE 76 1HD11 ILE 76 4.229 6.075 -9.521 565 2HD1 ILE 76 3HD13 ILE 76 4.718 4.805 -8.406 566 3HD1 ILE 76 2HD12 ILE 76 3.681 6.114 -7.823 567 H THR 77 HN THR 77 3.360 10.066 -9.813 568 HA THR 77 HA THR 77 4.786 12.682 -9.615 569 HB THR 77 HB THR 77 3.329 13.491 -11.495 570 HG1 THR 77 HG1 THR 77 2.579 11.671 -12.871 571 1HG2 THR 77 2HG22 THR 77 5.720 12.795 -11.869 572 2HG2 THR 77 1HG21 THR 77 5.142 11.183 -12.342 573 3HG2 THR 77 3HG23 THR 77 4.689 12.603 -13.298 574 H ALA 78 HN ALA 78 1.459 11.826 -10.405 575 HA ALA 78 HA ALA 78 0.373 13.690 -8.469 576 1HB ALA 78 3HB ALA 78 -0.922 11.593 -10.248 577 2HB ALA 78 2HB ALA 78 -1.807 12.821 -9.310 578 3HB ALA 78 1HB ALA 78 -0.702 13.315 -10.610 579 H MET 79 HN MET 79 1.549 12.690 -6.612 580 HA MET 79 HA MET 79 0.692 10.231 -5.436 581 1HB MET 79 2HB MET 79 1.749 12.707 -4.057 582 2HB MET 79 1HB MET 79 1.750 11.064 -3.396 583 1HG MET 79 1HG MET 79 3.636 10.499 -4.499 584 2HG MET 79 2HG MET 79 3.117 11.220 -6.013 585 1HE MET 79 2HE MET 79 6.006 11.307 -5.728 586 2HE MET 79 1HE MET 79 5.228 12.363 -6.929 587 3HE MET 79 3HE MET 79 6.469 13.020 -5.844 588 HA PRO 80 HA PRO 80 -0.396 9.223 -3.301 589 1HB PRO 80 1HB PRO 80 -3.343 8.696 -3.742 590 2HB PRO 80 2HB PRO 80 -2.289 8.065 -2.457 591 1HG PRO 80 1HG PRO 80 -3.986 10.118 -1.948 592 2HG PRO 80 2HG PRO 80 -2.286 10.272 -1.396 593 1HD PRO 80 2HD PRO 80 -3.515 11.346 -3.970 594 2HD PRO 80 1HD PRO 80 -2.545 12.231 -2.769 595 H THR 81 HN THR 81 0.303 7.572 -4.673 596 HA THR 81 HA THR 81 -1.147 7.166 -7.257 597 HB THR 81 HB THR 81 1.840 7.237 -6.789 598 HG1 THR 81 HG1 THR 81 0.026 9.145 -7.557 599 1HG2 THR 81 3HG23 THR 81 0.148 6.646 -9.265 600 2HG2 THR 81 2HG22 THR 81 1.872 7.068 -9.331 601 3HG2 THR 81 1HG21 THR 81 1.350 5.601 -8.483 602 H PHE 82 HN PHE 82 -2.109 5.261 -7.090 603 HA PHE 82 HA PHE 82 -0.994 3.141 -5.318 604 1HB PHE 82 1HB PHE 82 -3.680 3.523 -6.683 605 2HB PHE 82 2HB PHE 82 -3.229 2.090 -5.777 606 HD1 PHE 82 HD1 PHE 82 -2.904 2.165 -3.317 607 HD2 PHE 82 HD2 PHE 82 -4.188 5.653 -5.522 608 HE1 PHE 82 HE1 PHE 82 -3.416 3.346 -1.190 609 HE2 PHE 82 HE2 PHE 82 -4.654 6.817 -3.392 610 HZ PHE 82 HZ PHE 82 -4.050 5.715 -1.221 611 H HIS 83 HN HIS 83 0.228 1.573 -6.312 612 HA HIS 83 HA HIS 83 -0.213 1.036 -9.253 613 1HB HIS 83 2HB HIS 83 2.211 0.868 -7.516 614 2HB HIS 83 1HB HIS 83 2.051 -0.073 -9.011 615 HD2 HIS 83 HD2 HIS 83 0.716 3.515 -9.346 616 HE1 HIS 83 HE1 HIS 83 4.505 3.325 -11.202 617 HE2 HIS 83 HE2 HIS 83 2.430 4.752 -10.904 618 H VAL 84 HN VAL 84 -0.628 -1.077 -9.849 619 HA VAL 84 HA VAL 84 -1.005 -3.040 -7.628 620 HB VAL 84 HB VAL 84 -2.362 -3.174 -10.340 621 1HG1 VAL 84 2HG22 VAL 84 -2.875 -4.378 -7.580 622 2HG1 VAL 84 3HG23 VAL 84 -3.867 -4.649 -9.019 623 3HG1 VAL 84 1HG21 VAL 84 -2.195 -5.235 -8.975 624 1HG2 VAL 84 2HG12 VAL 84 -3.476 -1.865 -7.838 625 2HG2 VAL 84 1HG11 VAL 84 -3.165 -1.077 -9.408 626 3HG2 VAL 84 3HG13 VAL 84 -4.405 -2.326 -9.282 627 H TYR 85 HN TYR 85 1.007 -4.022 -7.608 628 HA TYR 85 HA TYR 85 2.174 -4.980 -10.178 629 1HB TYR 85 1HB TYR 85 3.197 -5.000 -7.333 630 2HB TYR 85 2HB TYR 85 4.002 -5.821 -8.662 631 HD1 TYR 85 HD2 TYR 85 3.125 -2.558 -7.191 632 HD2 TYR 85 HD1 TYR 85 5.210 -4.553 -10.387 633 HE1 TYR 85 HE2 TYR 85 4.163 -0.409 -7.868 634 HE2 TYR 85 HE1 TYR 85 6.185 -2.381 -11.101 635 HH TYR 85 HH TYR 85 4.919 0.679 -9.875 636 H LYS 86 HN LYS 86 1.090 -6.870 -10.890 637 HA LYS 86 HA LYS 86 -0.105 -8.609 -8.785 638 1HB LYS 86 2HB LYS 86 -1.384 -8.044 -10.880 639 2HB LYS 86 1HB LYS 86 -0.247 -9.079 -11.771 640 1HG LYS 86 2HG LYS 86 -0.888 -11.004 -10.352 641 2HG LYS 86 1HG LYS 86 -1.868 -9.950 -9.318 642 1HD LYS 86 2HD LYS 86 -3.384 -9.450 -11.218 643 2HD LYS 86 1HD LYS 86 -2.405 -10.493 -12.261 644 1HE LYS 86 1HE LYS 86 -4.375 -11.717 -11.536 645 2HE LYS 86 2HE LYS 86 -2.952 -12.451 -10.794 646 1HZ LYS 86 1HZ LYS 86 -4.779 -10.557 -9.459 647 2HZ LYS 86 2HZ LYS 86 -4.808 -12.188 -9.297 648 3HZ LYS 86 3HZ LYS 86 -3.497 -11.336 -8.767 649 H ASP 87 HN ASP 87 1.139 -10.058 -7.897 650 HA ASP 87 HA ASP 87 2.762 -11.469 -7.338 651 1HB ASP 87 1HB ASP 87 2.917 -11.918 -10.354 652 2HB ASP 87 2HB ASP 87 3.927 -12.760 -9.176 653 H GLY 88 HN GLY 88 3.953 -9.746 -10.165 654 1HA GLY 88 1HA GLY 88 5.852 -8.146 -8.687 655 2HA GLY 88 2HA GLY 88 6.669 -9.503 -9.490 656 H VAL 89 HN VAL 89 3.812 -8.093 -11.105 657 HA VAL 89 HA VAL 89 5.567 -6.364 -12.773 658 HB VAL 89 HB VAL 89 5.481 -8.455 -13.962 659 1HG1 VAL 89 1HG11 VAL 89 2.438 -8.336 -13.794 660 2HG1 VAL 89 3HG13 VAL 89 3.383 -9.454 -14.789 661 3HG1 VAL 89 2HG12 VAL 89 3.505 -9.539 -13.033 662 1HG2 VAL 89 2HG22 VAL 89 5.317 -6.334 -15.246 663 2HG2 VAL 89 3HG23 VAL 89 4.559 -7.706 -16.073 664 3HG2 VAL 89 1HG21 VAL 89 3.545 -6.497 -15.267 665 H LYS 90 HN LYS 90 4.613 -4.456 -13.314 666 HA LYS 90 HA LYS 90 2.342 -3.595 -11.830 667 1HB LYS 90 1HB LYS 90 4.273 -2.181 -12.692 668 2HB LYS 90 2HB LYS 90 3.485 -2.222 -14.274 669 1HG LYS 90 1HG LYS 90 1.400 -1.262 -13.169 670 2HG LYS 90 2HG LYS 90 2.263 -1.251 -11.636 671 1HD LYS 90 2HD LYS 90 2.287 0.974 -12.546 672 2HD LYS 90 1HD LYS 90 3.932 0.333 -12.529 673 1HE LYS 90 1HE LYS 90 3.406 1.594 -14.604 674 2HE LYS 90 2HE LYS 90 3.831 -0.083 -14.958 675 1HZ LYS 90 2HZ LYS 90 1.095 0.998 -14.795 676 2HZ LYS 90 1HZ LYS 90 1.917 0.655 -16.181 677 3HZ LYS 90 3HZ LYS 90 1.496 -0.563 -15.158 678 H ALA 91 HN ALA 91 0.474 -4.686 -12.204 679 HA ALA 91 HA ALA 91 -0.442 -5.364 -14.907 680 1HB ALA 91 1HB ALA 91 -1.774 -5.605 -12.171 681 2HB ALA 91 2HB ALA 91 -2.383 -6.294 -13.691 682 3HB ALA 91 3HB ALA 91 -0.851 -6.875 -13.009 683 H ASP 92 HN ASP 92 -0.983 -2.871 -12.447 684 HA ASP 92 HA ASP 92 -2.393 -1.178 -14.336 685 1HB ASP 92 1HB ASP 92 -4.053 -2.939 -13.407 686 2HB ASP 92 2HB ASP 92 -3.935 -2.088 -11.860 687 H ASP 93 HN ASP 93 -3.265 0.848 -12.910 688 HA ASP 93 HA ASP 93 -1.896 1.395 -10.493 689 1HB ASP 93 2HB ASP 93 -0.549 3.335 -11.334 690 2HB ASP 93 1HB ASP 93 0.083 1.768 -11.803 691 H LEU 94 HN LEU 94 -2.268 3.762 -9.970 692 HA LEU 94 HA LEU 94 -4.509 5.132 -11.275 693 1HB LEU 94 1HB LEU 94 -5.733 3.391 -10.205 694 2HB LEU 94 2HB LEU 94 -4.712 3.423 -8.782 695 HG LEU 94 HG LEU 94 -5.736 5.699 -8.206 696 1HD1 LEU 94 1HD11 LEU 94 -7.516 4.901 -10.562 697 2HD1 LEU 94 3HD13 LEU 94 -7.882 6.224 -9.435 698 3HD1 LEU 94 2HD12 LEU 94 -6.486 6.330 -10.507 699 1HD2 LEU 94 2HD22 LEU 94 -7.625 3.339 -8.511 700 2HD2 LEU 94 3HD23 LEU 94 -6.500 3.630 -7.167 701 3HD2 LEU 94 1HD21 LEU 94 -7.857 4.734 -7.436 702 H VAL 95 HN VAL 95 -4.826 7.261 -10.314 703 HA VAL 95 HA VAL 95 -2.785 8.122 -8.359 704 HB VAL 95 HB VAL 95 -2.697 10.248 -9.676 705 1HG1 VAL 95 2HG12 VAL 95 -1.713 7.741 -11.102 706 2HG1 VAL 95 3HG13 VAL 95 -1.146 9.393 -11.407 707 3HG1 VAL 95 1HG11 VAL 95 -0.876 8.653 -9.823 708 1HG2 VAL 95 2HG22 VAL 95 -4.788 9.956 -11.010 709 2HG2 VAL 95 3HG23 VAL 95 -3.369 10.291 -12.010 710 3HG2 VAL 95 1HG21 VAL 95 -4.006 8.642 -11.917 711 H GLY 96 HN GLY 96 -3.344 9.891 -7.076 712 1HA GLY 96 1HA GLY 96 -4.654 11.593 -6.208 713 2HA GLY 96 2HA GLY 96 -5.967 11.195 -7.335 714 H ALA 97 HN ALA 97 -6.809 11.697 -4.908 715 HA ALA 97 HA ALA 97 -6.894 9.373 -3.140 716 1HB ALA 97 3HB ALA 97 -6.928 11.759 -2.365 717 2HB ALA 97 1HB ALA 97 -8.504 11.973 -3.149 718 3HB ALA 97 2HB ALA 97 -8.343 10.839 -1.794 719 H SER 98 HN SER 98 -7.709 8.621 -5.687 720 HA SER 98 HA SER 98 -10.562 8.788 -6.109 721 1HB SER 98 2HB SER 98 -8.424 7.049 -7.390 722 2HB SER 98 1HB SER 98 -9.968 7.550 -8.117 723 HG SER 98 HG SER 98 -7.661 8.810 -8.304 724 H GLN 99 HN GLN 99 -10.512 7.812 -3.646 725 HA GLN 99 HA GLN 99 -10.011 5.151 -3.091 726 1HB GLN 99 1HB GLN 99 -11.923 5.360 -1.381 727 2HB GLN 99 2HB GLN 99 -10.495 6.376 -1.256 728 1HG GLN 99 2HG GLN 99 -12.465 7.641 -0.698 729 2HG GLN 99 1HG GLN 99 -11.689 8.322 -2.110 730 1HE2 GLN 99 1HE21 GLN 99 -15.463 6.711 -2.369 731 2HE2 GLN 99 2HE22 GLN 99 -14.485 6.468 -0.928 732 H ASP 100 HN ASP 100 -13.016 6.316 -4.694 733 HA ASP 100 HA ASP 100 -14.377 3.820 -4.679 734 1HB ASP 100 1HB ASP 100 -15.450 5.938 -5.294 735 2HB ASP 100 2HB ASP 100 -14.426 6.074 -6.735 736 H LYS 101 HN LYS 101 -12.184 5.234 -7.128 737 HA LYS 101 HA LYS 101 -12.298 2.968 -8.873 738 1HB LYS 101 1HB LYS 101 -11.653 5.302 -9.544 739 2HB LYS 101 2HB LYS 101 -10.155 5.124 -8.624 740 1HG LYS 101 2HG LYS 101 -9.796 4.809 -11.000 741 2HG LYS 101 1HG LYS 101 -9.405 3.322 -10.120 742 1HD LYS 101 1HD LYS 101 -11.518 2.297 -10.819 743 2HD LYS 101 2HD LYS 101 -12.040 3.803 -11.596 744 1HE LYS 101 2HE LYS 101 -9.590 2.138 -12.371 745 2HE LYS 101 1HE LYS 101 -11.164 2.076 -13.182 746 1HZ LYS 101 2HZ LYS 101 -10.902 4.389 -13.734 747 2HZ LYS 101 3HZ LYS 101 -9.414 4.427 -13.023 748 3HZ LYS 101 1HZ LYS 101 -9.671 3.481 -14.344 749 H LEU 102 HN LEU 102 -10.206 3.965 -6.188 750 HA LEU 102 HA LEU 102 -8.187 2.015 -6.319 751 1HB LEU 102 1HB LEU 102 -8.683 4.071 -4.694 752 2HB LEU 102 2HB LEU 102 -9.379 2.823 -3.657 753 HG LEU 102 HG LEU 102 -6.512 3.109 -4.617 754 1HD1 LEU 102 3HD13 LEU 102 -7.885 3.237 -1.889 755 2HD1 LEU 102 2HD12 LEU 102 -6.142 3.332 -2.146 756 3HD1 LEU 102 1HD11 LEU 102 -7.194 4.602 -2.794 757 1HD2 LEU 102 3HD23 LEU 102 -7.728 0.859 -2.960 758 2HD2 LEU 102 2HD22 LEU 102 -6.954 0.715 -4.562 759 3HD2 LEU 102 1HD21 LEU 102 -5.989 1.172 -3.154 760 H LYS 103 HN LYS 103 -11.312 1.881 -4.469 761 HA LYS 103 HA LYS 103 -11.148 -0.812 -3.666 762 1HB LYS 103 2HB LYS 103 -13.516 1.002 -4.297 763 2HB LYS 103 1HB LYS 103 -13.680 -0.628 -3.634 764 1HG LYS 103 2HG LYS 103 -12.217 -0.008 -1.737 765 2HG LYS 103 1HG LYS 103 -12.162 1.655 -2.291 766 1HD LYS 103 2HD LYS 103 -14.680 0.086 -1.513 767 2HD LYS 103 1HD LYS 103 -13.831 1.214 -0.455 768 1HE LYS 103 1HE LYS 103 -15.216 1.944 -3.081 769 2HE LYS 103 2HE LYS 103 -15.821 2.258 -1.451 770 1HZ LYS 103 2HZ LYS 103 -13.898 3.628 -1.061 771 2HZ LYS 103 3HZ LYS 103 -13.355 3.351 -2.594 772 3HZ LYS 103 1HZ LYS 103 -14.762 4.174 -2.356 773 H ALA 104 HN ALA 104 -12.674 0.555 -6.634 774 HA ALA 104 HA ALA 104 -13.566 -1.883 -7.719 775 1HB ALA 104 2HB ALA 104 -14.143 0.365 -8.600 776 2HB ALA 104 3HB ALA 104 -12.493 0.536 -9.235 777 3HB ALA 104 1HB ALA 104 -13.561 -0.725 -9.875 778 H LEU 105 HN LEU 105 -10.333 -0.312 -8.137 779 HA LEU 105 HA LEU 105 -9.322 -2.368 -9.869 780 1HB LEU 105 1HB LEU 105 -7.918 -0.340 -8.076 781 2HB LEU 105 2HB LEU 105 -7.075 -1.470 -9.131 782 HG LEU 105 HG LEU 105 -8.896 0.807 -9.983 783 1HD1 LEU 105 1HD11 LEU 105 -6.516 1.282 -9.407 784 2HD1 LEU 105 2HD12 LEU 105 -5.999 0.099 -10.626 785 3HD1 LEU 105 3HD13 LEU 105 -6.871 1.559 -11.128 786 1HD2 LEU 105 1HD21 LEU 105 -7.847 -1.519 -11.617 787 2HD2 LEU 105 3HD23 LEU 105 -9.516 -0.906 -11.528 788 3HD2 LEU 105 2HD22 LEU 105 -8.271 0.041 -12.349 789 H VAL 106 HN VAL 106 -9.066 -1.937 -6.281 790 HA VAL 106 HA VAL 106 -7.445 -4.255 -5.929 791 HB VAL 106 HB VAL 106 -9.547 -3.114 -4.031 792 1HG1 VAL 106 1HG21 VAL 106 -7.195 -5.005 -3.550 793 2HG1 VAL 106 3HG23 VAL 106 -8.231 -4.299 -2.291 794 3HG1 VAL 106 2HG22 VAL 106 -8.897 -5.466 -3.443 795 1HG2 VAL 106 3HG13 VAL 106 -6.527 -2.737 -4.262 796 2HG2 VAL 106 1HG11 VAL 106 -7.732 -1.507 -4.612 797 3HG2 VAL 106 2HG12 VAL 106 -7.538 -2.087 -2.957 798 H ALA 107 HN ALA 107 -10.981 -3.909 -5.941 799 HA ALA 107 HA ALA 107 -11.675 -6.626 -5.587 800 1HB ALA 107 2HB ALA 107 -13.330 -4.778 -5.613 801 2HB ALA 107 3HB ALA 107 -13.109 -4.592 -7.361 802 3HB ALA 107 1HB ALA 107 -13.788 -6.093 -6.711 803 H LYS 108 HN LYS 108 -11.251 -4.914 -8.713 804 HA LYS 108 HA LYS 108 -11.509 -6.992 -10.532 805 1HB LYS 108 1HB LYS 108 -11.261 -4.738 -11.221 806 2HB LYS 108 2HB LYS 108 -9.721 -4.534 -10.433 807 1HG LYS 108 1HG LYS 108 -8.570 -5.971 -12.015 808 2HG LYS 108 2HG LYS 108 -10.064 -6.309 -12.871 809 1HD LYS 108 2HD LYS 108 -8.809 -3.550 -12.504 810 2HD LYS 108 1HD LYS 108 -8.597 -4.584 -13.926 811 1HE LYS 108 2HE LYS 108 -11.070 -4.498 -14.328 812 2HE LYS 108 1HE LYS 108 -11.231 -3.364 -12.972 813 1HZ LYS 108 1HZ LYS 108 -9.771 -1.873 -14.116 814 2HZ LYS 108 3HZ LYS 108 -9.635 -2.913 -15.387 815 3HZ LYS 108 2HZ LYS 108 -11.092 -2.227 -15.037 816 H HIS 109 HN HIS 109 -8.418 -5.812 -9.260 817 HA HIS 109 HA HIS 109 -6.937 -8.005 -10.389 818 1HB HIS 109 2HB HIS 109 -6.190 -5.815 -8.414 819 2HB HIS 109 1HB HIS 109 -5.053 -6.945 -9.164 820 HD2 HIS 109 HD2 HIS 109 -6.815 -3.642 -10.072 821 HE1 HIS 109 HE1 HIS 109 -5.196 -5.177 -13.629 822 HE2 HIS 109 HE2 HIS 109 -6.270 -3.136 -12.572 823 H ALA 110 HN ALA 110 -8.493 -7.674 -7.232 824 HA ALA 110 HA ALA 110 -7.018 -9.868 -6.005 825 1HB ALA 110 3HB ALA 110 -9.756 -8.687 -5.356 826 2HB ALA 110 1HB ALA 110 -8.833 -9.818 -4.347 827 3HB ALA 110 2HB ALA 110 -8.206 -8.188 -4.642 828 H ALA 111 HN ALA 111 -10.148 -9.496 -7.751 829 HA ALA 111 HA ALA 111 -10.648 -12.399 -7.688 830 1HB ALA 111 1HB ALA 111 -12.488 -10.754 -7.498 831 2HB ALA 111 3HB ALA 111 -12.079 -10.107 -9.103 832 3HB ALA 111 2HB ALA 111 -12.670 -11.776 -8.937 833 H ALA 112 HN ALA 112 -8.175 -12.302 -8.760 834 HA ALA 112 HA ALA 112 -8.542 -13.153 -11.489 835 1HB ALA 112 3HB ALA 112 -6.890 -10.652 -10.895 836 2HB ALA 112 2HB ALA 112 -6.929 -11.528 -12.440 837 3HB ALA 112 1HB ALA 112 -8.384 -10.695 -11.857 No H/Q in entry = 837 Start of MODEL 4 1 1H GLY 1 1HN GLY 1 -2.103 -8.973 2.491 2 2H GLY 1 3HN GLY 1 -3.160 -9.922 3.366 3 3H GLY 1 2HN GLY 1 -2.512 -8.550 4.020 4 1HA GLY 1 1HA GLY 1 -1.355 -10.362 4.969 5 2HA GLY 1 2HA GLY 1 -1.072 -11.014 3.338 6 H GLY 2 HN GLY 2 1.125 -10.503 5.073 7 1HA GLY 2 1HA GLY 2 3.112 -9.375 5.235 8 2HA GLY 2 2HA GLY 2 2.934 -9.131 3.485 9 H SER 3 HN SER 3 3.246 -6.969 3.015 10 HA SER 3 HA SER 3 2.757 -4.839 4.892 11 1HB SER 3 2HB SER 3 2.974 -4.752 1.861 12 2HB SER 3 1HB SER 3 3.027 -3.363 2.954 13 HG SER 3 HG SER 3 5.125 -3.986 2.468 14 H VAL 4 HN VAL 4 0.654 -4.929 5.665 15 HA VAL 4 HA VAL 4 -1.484 -4.129 3.779 16 HB VAL 4 HB VAL 4 -1.445 -6.579 4.434 17 1HG1 VAL 4 3HG23 VAL 4 -0.724 -6.218 6.814 18 2HG1 VAL 4 1HG21 VAL 4 -2.345 -5.579 7.163 19 3HG1 VAL 4 2HG22 VAL 4 -2.158 -7.253 6.623 20 1HG2 VAL 4 2HG12 VAL 4 -3.497 -5.438 3.655 21 2HG2 VAL 4 3HG13 VAL 4 -3.786 -6.799 4.759 22 3HG2 VAL 4 1HG11 VAL 4 -3.923 -5.143 5.368 23 H ILE 5 HN ILE 5 0.371 -2.584 5.370 24 HA ILE 5 HA ILE 5 -1.409 -1.034 7.074 25 HB ILE 5 HB ILE 5 0.248 -1.010 8.949 26 1HG1 ILE 5 1HG11 ILE 5 1.521 -3.415 7.546 27 2HG1 ILE 5 2HG12 ILE 5 2.225 -1.794 7.617 28 1HG2 ILE 5 3HG23 ILE 5 -1.805 -2.488 8.940 29 2HG2 ILE 5 1HG21 ILE 5 -0.760 -3.841 8.449 30 3HG2 ILE 5 2HG22 ILE 5 -0.506 -3.028 10.003 31 1HD1 ILE 5 2HD12 ILE 5 2.244 -1.928 10.108 32 2HD1 ILE 5 3HD13 ILE 5 1.701 -3.620 9.986 33 3HD1 ILE 5 1HD11 ILE 5 3.260 -3.139 9.303 34 H VAL 6 HN VAL 6 -0.001 0.953 7.821 35 HA VAL 6 HA VAL 6 1.090 2.064 5.406 36 HB VAL 6 HB VAL 6 -0.322 3.300 6.897 37 1HG1 VAL 6 2HG12 VAL 6 0.431 2.427 9.124 38 2HG1 VAL 6 3HG13 VAL 6 1.885 3.430 8.989 39 3HG1 VAL 6 1HG11 VAL 6 0.290 4.182 9.028 40 1HG2 VAL 6 3HG23 VAL 6 1.290 4.503 5.435 41 2HG2 VAL 6 2HG22 VAL 6 0.831 5.410 6.886 42 3HG2 VAL 6 1HG21 VAL 6 2.415 4.623 6.799 43 H ILE 7 HN ILE 7 2.732 0.407 5.135 44 HA ILE 7 HA ILE 7 5.328 1.336 6.280 45 HB ILE 7 HB ILE 7 4.795 -0.873 7.162 46 1HG1 ILE 7 1HG11 ILE 7 6.991 -1.041 5.041 47 2HG1 ILE 7 2HG12 ILE 7 7.136 -0.120 6.542 48 1HG2 ILE 7 3HG23 ILE 7 3.360 -1.689 5.220 49 2HG2 ILE 7 1HG21 ILE 7 4.854 -1.944 4.299 50 3HG2 ILE 7 2HG22 ILE 7 4.552 -2.850 5.788 51 1HD1 ILE 7 1HD11 ILE 7 6.732 -2.216 7.845 52 2HD1 ILE 7 3HD13 ILE 7 6.753 -3.132 6.320 53 3HD1 ILE 7 2HD12 ILE 7 8.198 -2.256 6.850 54 H ASP 8 HN ASP 8 6.649 2.143 4.844 55 HA ASP 8 HA ASP 8 6.165 1.868 1.930 56 1HB ASP 8 2HB ASP 8 7.392 3.967 1.796 57 2HB ASP 8 1HB ASP 8 6.071 4.152 2.963 58 H SER 9 HN SER 9 8.616 1.738 4.438 59 HA SER 9 HA SER 9 10.926 1.625 3.751 60 1HB SER 9 1HB SER 9 9.742 -0.961 4.856 61 2HB SER 9 2HB SER 9 11.365 -0.311 5.191 62 HG SER 9 HG SER 9 9.820 0.240 6.836 63 H LYS 10 HN LYS 10 11.989 1.364 1.905 64 HA LYS 10 HA LYS 10 11.582 -0.078 -0.334 65 1HB LYS 10 1HB LYS 10 14.297 0.256 1.003 66 2HB LYS 10 2HB LYS 10 14.007 -0.112 -0.702 67 1HG LYS 10 2HG LYS 10 12.759 2.072 -0.893 68 2HG LYS 10 1HG LYS 10 13.302 2.466 0.759 69 1HD LYS 10 1HD LYS 10 15.658 2.220 0.056 70 2HD LYS 10 2HD LYS 10 15.133 1.852 -1.599 71 1HE LYS 10 1HE LYS 10 14.077 4.082 -1.783 72 2HE LYS 10 2HE LYS 10 14.530 4.454 -0.106 73 1HZ LYS 10 1HZ LYS 10 16.816 4.264 -0.742 74 2HZ LYS 10 2HZ LYS 10 16.405 3.924 -2.301 75 3HZ LYS 10 3HZ LYS 10 16.052 5.401 -1.655 76 H ALA 11 HN ALA 11 13.298 -1.301 2.519 77 HA ALA 11 HA ALA 11 14.011 -3.868 1.553 78 1HB ALA 11 1HB ALA 11 14.897 -2.908 3.643 79 2HB ALA 11 3HB ALA 11 13.293 -3.028 4.402 80 3HB ALA 11 2HB ALA 11 14.174 -4.501 3.940 81 H ALA 12 HN ALA 12 11.006 -2.805 3.192 82 HA ALA 12 HA ALA 12 9.833 -5.463 3.369 83 1HB ALA 12 3HB ALA 12 9.187 -3.620 4.902 84 2HB ALA 12 2HB ALA 12 8.526 -2.704 3.527 85 3HB ALA 12 1HB ALA 12 7.799 -4.248 3.995 86 H TRP 13 HN TRP 13 9.546 -2.610 1.248 87 HA TRP 13 HA TRP 13 7.612 -3.520 -0.590 88 1HB TRP 13 2HB TRP 13 8.164 -1.315 -0.912 89 2HB TRP 13 1HB TRP 13 9.862 -1.549 -0.572 90 HD1 TRP 13 HD1 TRP 13 11.496 -2.130 -2.525 91 HE1 TRP 13 HE1 TRP 13 11.335 -2.146 -5.070 92 HE3 TRP 13 HE3 TRP 13 6.474 -1.301 -3.005 93 HZ2 TRP 13 HZ2 TRP 13 9.322 -1.771 -7.058 94 HZ3 TRP 13 HZ3 TRP 13 5.513 -0.921 -5.240 95 HH2 TRP 13 HH2 TRP 13 6.882 -1.256 -7.290 96 H ASP 14 HN ASP 14 11.179 -3.831 -0.893 97 HA ASP 14 HA ASP 14 11.157 -5.453 -3.211 98 1HB ASP 14 2HB ASP 14 13.211 -5.165 -0.967 99 2HB ASP 14 1HB ASP 14 13.491 -6.105 -2.437 100 H ALA 15 HN ALA 15 11.324 -6.360 0.233 101 HA ALA 15 HA ALA 15 11.545 -9.150 -0.120 102 1HB ALA 15 2HB ALA 15 10.094 -7.619 2.090 103 2HB ALA 15 3HB ALA 15 10.568 -9.327 2.148 104 3HB ALA 15 1HB ALA 15 11.811 -8.066 2.065 105 H GLN 16 HN GLN 16 8.547 -7.329 0.528 106 HA GLN 16 HA GLN 16 6.715 -9.424 0.110 107 1HB GLN 16 2HB GLN 16 6.554 -6.408 -0.028 108 2HB GLN 16 1HB GLN 16 5.231 -7.367 -0.671 109 1HG GLN 16 2HG GLN 16 4.769 -6.796 1.615 110 2HG GLN 16 1HG GLN 16 4.913 -8.544 1.427 111 1HE2 GLN 16 2HE22 GLN 16 7.130 -6.753 4.236 112 2HE2 GLN 16 1HE21 GLN 16 5.794 -5.951 3.415 113 H LEU 17 HN LEU 17 7.907 -7.033 -2.284 114 HA LEU 17 HA LEU 17 6.466 -7.866 -4.498 115 1HB LEU 17 1HB LEU 17 7.928 -5.863 -4.327 116 2HB LEU 17 2HB LEU 17 9.352 -6.910 -4.386 117 HG LEU 17 HG LEU 17 8.717 -7.595 -6.706 118 1HD1 LEU 17 3HD23 LEU 17 6.512 -5.501 -6.356 119 2HD1 LEU 17 2HD22 LEU 17 7.000 -6.227 -7.901 120 3HD1 LEU 17 1HD21 LEU 17 6.273 -7.237 -6.650 121 1HD2 LEU 17 2HD12 LEU 17 10.278 -5.734 -6.288 122 2HD2 LEU 17 1HD11 LEU 17 9.308 -5.444 -7.743 123 3HD2 LEU 17 3HD13 LEU 17 8.917 -4.594 -6.233 124 H ALA 18 HN ALA 18 9.130 -9.633 -2.955 125 HA ALA 18 HA ALA 18 9.141 -11.556 -5.264 126 1HB ALA 18 3HB ALA 18 11.144 -11.120 -2.995 127 2HB ALA 18 2HB ALA 18 11.279 -12.326 -4.294 128 3HB ALA 18 1HB ALA 18 11.337 -10.593 -4.679 129 H LYS 19 HN LYS 19 9.297 -11.614 -1.637 130 HA LYS 19 HA LYS 19 8.709 -14.402 -1.537 131 1HB LYS 19 2HB LYS 19 8.391 -14.115 0.828 132 2HB LYS 19 1HB LYS 19 9.824 -13.258 0.295 133 1HG LYS 19 2HG LYS 19 9.086 -11.318 1.057 134 2HG LYS 19 1HG LYS 19 7.516 -11.459 0.272 135 1HD LYS 19 1HD LYS 19 8.211 -12.854 2.903 136 2HD LYS 19 2HD LYS 19 7.592 -11.208 2.804 137 1HE LYS 19 1HE LYS 19 5.714 -12.543 3.267 138 2HE LYS 19 2HE LYS 19 5.556 -12.054 1.575 139 1HZ LYS 19 3HZ LYS 19 6.571 -14.652 2.518 140 2HZ LYS 19 1HZ LYS 19 5.039 -14.366 1.985 141 3HZ LYS 19 2HZ LYS 19 6.302 -14.232 0.946 142 H GLY 20 HN GLY 20 6.490 -11.636 -1.993 143 1HA GLY 20 1HA GLY 20 4.124 -12.895 -1.102 144 2HA GLY 20 2HA GLY 20 4.273 -11.677 -2.383 145 H LYS 21 HN LYS 21 6.163 -13.427 -3.988 146 HA LYS 21 HA LYS 21 5.871 -14.615 -5.920 147 1HB LYS 21 1HB LYS 21 4.607 -16.562 -3.930 148 2HB LYS 21 2HB LYS 21 5.232 -16.968 -5.540 149 1HG LYS 21 1HG LYS 21 7.487 -16.129 -4.841 150 2HG LYS 21 2HG LYS 21 6.853 -15.863 -3.207 151 1HD LYS 21 1HD LYS 21 6.225 -18.279 -3.071 152 2HD LYS 21 2HD LYS 21 6.984 -18.551 -4.648 153 1HE LYS 21 1HE LYS 21 8.379 -17.526 -2.123 154 2HE LYS 21 2HE LYS 21 8.487 -19.170 -2.774 155 1HZ LYS 21 1HZ LYS 21 9.484 -18.255 -4.749 156 2HZ LYS 21 2HZ LYS 21 9.418 -16.733 -4.118 157 3HZ LYS 21 3HZ LYS 21 10.363 -17.879 -3.408 158 H GLU 22 HN GLU 22 4.255 -12.717 -6.025 159 HA GLU 22 HA GLU 22 1.486 -13.247 -5.780 160 1HB GLU 22 1HB GLU 22 1.249 -10.956 -6.541 161 2HB GLU 22 2HB GLU 22 2.486 -11.069 -5.308 162 1HG GLU 22 1HG GLU 22 3.148 -11.020 -8.280 163 2HG GLU 22 2HG GLU 22 2.792 -9.547 -7.397 164 H GLU 23 HN GLU 23 2.272 -15.184 -7.548 165 HA GLU 23 HA GLU 23 1.890 -14.834 -10.291 166 1HB GLU 23 1HB GLU 23 2.486 -16.953 -9.130 167 2HB GLU 23 2HB GLU 23 0.822 -17.096 -8.539 168 1HG GLU 23 1HG GLU 23 0.022 -17.183 -10.914 169 2HG GLU 23 2HG GLU 23 1.701 -17.043 -11.464 170 H HIS 24 HN HIS 24 -0.589 -15.355 -7.766 171 HA HIS 24 HA HIS 24 -2.509 -13.764 -9.355 172 1HB HIS 24 1HB HIS 24 -3.026 -16.156 -9.792 173 2HB HIS 24 2HB HIS 24 -3.191 -16.435 -8.050 174 HD2 HIS 24 HD2 HIS 24 -4.696 -13.176 -9.636 175 HE1 HIS 24 HE1 HIS 24 -7.898 -15.673 -8.515 176 HE2 HIS 24 HE2 HIS 24 -7.224 -13.303 -9.321 177 H LYS 25 HN LYS 25 -1.182 -12.442 -7.564 178 HA LYS 25 HA LYS 25 -3.082 -12.206 -5.288 179 1HB LYS 25 2HB LYS 25 -0.090 -11.998 -4.900 180 2HB LYS 25 1HB LYS 25 -1.361 -11.838 -3.704 181 1HG LYS 25 1HG LYS 25 -2.035 -14.255 -4.244 182 2HG LYS 25 2HG LYS 25 -0.529 -14.367 -5.173 183 1HD LYS 25 1HD LYS 25 0.689 -13.576 -3.049 184 2HD LYS 25 2HD LYS 25 -0.867 -13.714 -2.212 185 1HE LYS 25 2HE LYS 25 0.287 -15.754 -1.776 186 2HE LYS 25 1HE LYS 25 -0.948 -16.146 -2.992 187 1HZ LYS 25 3HZ LYS 25 1.905 -15.599 -3.507 188 2HZ LYS 25 2HZ LYS 25 1.205 -17.091 -3.499 189 3HZ LYS 25 1HZ LYS 25 0.801 -15.992 -4.658 190 HA PRO 26 HA PRO 26 -2.457 -8.091 -7.020 191 1HB PRO 26 2HB PRO 26 -4.268 -6.676 -5.468 192 2HB PRO 26 1HB PRO 26 -4.644 -7.606 -6.933 193 1HG PRO 26 1HG PRO 26 -4.990 -8.424 -4.081 194 2HG PRO 26 2HG PRO 26 -6.079 -8.740 -5.440 195 1HD PRO 26 2HD PRO 26 -4.298 -10.557 -4.366 196 2HD PRO 26 1HD PRO 26 -4.751 -10.613 -6.082 197 H ILE 27 HN ILE 27 -0.409 -7.491 -6.533 198 HA ILE 27 HA ILE 27 0.126 -6.362 -3.833 199 HB ILE 27 HB ILE 27 1.857 -6.540 -6.332 200 1HG1 ILE 27 2HG12 ILE 27 1.833 -7.962 -3.657 201 2HG1 ILE 27 1HG11 ILE 27 1.581 -8.643 -5.250 202 1HG2 ILE 27 1HG21 ILE 27 2.289 -4.432 -5.035 203 2HG2 ILE 27 2HG22 ILE 27 2.532 -5.413 -3.576 204 3HG2 ILE 27 3HG23 ILE 27 3.645 -5.538 -4.957 205 1HD1 ILE 27 1HD11 ILE 27 4.010 -7.966 -5.753 206 2HD1 ILE 27 2HD12 ILE 27 4.156 -7.533 -4.032 207 3HD1 ILE 27 3HD13 ILE 27 3.826 -9.203 -4.478 208 H VAL 28 HN VAL 28 -0.476 -4.297 -3.512 209 HA VAL 28 HA VAL 28 -1.274 -2.649 -5.875 210 HB VAL 28 HB VAL 28 -2.735 -2.663 -3.208 211 1HG1 VAL 28 3HG13 VAL 28 -3.347 -1.489 -5.968 212 2HG1 VAL 28 2HG12 VAL 28 -4.425 -1.416 -4.568 213 3HG1 VAL 28 1HG11 VAL 28 -2.867 -0.565 -4.536 214 1HG2 VAL 28 1HG21 VAL 28 -3.448 -4.083 -5.811 215 2HG2 VAL 28 3HG23 VAL 28 -3.151 -4.836 -4.226 216 3HG2 VAL 28 2HG22 VAL 28 -4.569 -3.818 -4.461 217 H VAL 29 HN VAL 29 -0.076 -0.858 -5.917 218 HA VAL 29 HA VAL 29 1.426 -0.101 -3.464 219 HB VAL 29 HB VAL 29 2.225 0.763 -6.236 220 1HG1 VAL 29 3HG23 VAL 29 3.138 1.700 -4.091 221 2HG1 VAL 29 1HG21 VAL 29 3.736 0.074 -3.703 222 3HG1 VAL 29 2HG22 VAL 29 4.356 0.940 -5.118 223 1HG2 VAL 29 1HG11 VAL 29 2.925 -1.936 -5.058 224 2HG2 VAL 29 3HG13 VAL 29 1.969 -1.640 -6.533 225 3HG2 VAL 29 2HG12 VAL 29 3.661 -1.165 -6.493 226 H ASP 30 HN ASP 30 0.516 1.633 -2.522 227 HA ASP 30 HA ASP 30 -0.775 3.762 -4.176 228 1HB ASP 30 1HB ASP 30 -1.993 3.121 -2.187 229 2HB ASP 30 2HB ASP 30 -0.555 3.360 -1.172 230 H PHE 31 HN PHE 31 1.073 4.583 -5.227 231 HA PHE 31 HA PHE 31 3.474 5.294 -3.658 232 1HB PHE 31 1HB PHE 31 2.683 5.779 -6.541 233 2HB PHE 31 2HB PHE 31 4.119 6.424 -5.779 234 HD1 PHE 31 HD2 PHE 31 5.934 4.948 -4.940 235 HD2 PHE 31 HD1 PHE 31 2.629 3.407 -7.242 236 HE1 PHE 31 HE2 PHE 31 7.371 3.119 -5.771 237 HE2 PHE 31 HE1 PHE 31 4.094 1.573 -8.079 238 HZ PHE 31 HZ PHE 31 6.457 1.439 -7.372 239 H THR 32 HN THR 32 2.812 6.771 -2.154 240 HA THR 32 HA THR 32 1.283 9.209 -3.008 241 HB THR 32 HB THR 32 -0.126 7.737 -1.658 242 HG1 THR 32 HG1 THR 32 -0.704 9.325 -0.235 243 1HG2 THR 32 3HG23 THR 32 1.600 6.519 -0.333 244 2HG2 THR 32 2HG22 THR 32 1.997 8.019 0.534 245 3HG2 THR 32 1HG21 THR 32 0.394 7.282 0.708 246 H ALA 33 HN ALA 33 1.687 10.593 -0.578 247 HA ALA 33 HA ALA 33 4.533 10.616 -0.048 248 1HB ALA 33 2HB ALA 33 4.290 11.938 -2.250 249 2HB ALA 33 1HB ALA 33 3.391 13.138 -1.312 250 3HB ALA 33 3HB ALA 33 5.080 12.777 -0.904 251 H THR 34 HN THR 34 5.047 11.684 1.807 252 HA THR 34 HA THR 34 3.091 12.038 3.768 253 HB THR 34 HB THR 34 5.893 13.250 3.720 254 HG1 THR 34 HG1 THR 34 6.627 11.311 3.549 255 1HG2 THR 34 1HG21 THR 34 4.240 11.998 5.958 256 2HG2 THR 34 3HG23 THR 34 5.894 12.629 6.106 257 3HG2 THR 34 2HG22 THR 34 4.554 13.738 5.753 258 H TRP 35 HN TRP 35 4.835 14.489 1.866 259 HA TRP 35 HA TRP 35 4.018 16.720 3.420 260 1HB TRP 35 1HB TRP 35 5.033 18.040 1.638 261 2HB TRP 35 2HB TRP 35 6.053 16.699 2.135 262 HD1 TRP 35 HD1 TRP 35 6.338 14.664 0.396 263 HE1 TRP 35 HE1 TRP 35 6.189 14.583 -2.195 264 HE3 TRP 35 HE3 TRP 35 3.876 19.074 -0.448 265 HZ2 TRP 35 HZ2 TRP 35 5.154 16.192 -4.302 266 HZ3 TRP 35 HZ3 TRP 35 3.361 19.790 -2.761 267 HH2 TRP 35 HH2 TRP 35 3.981 18.356 -4.691 268 H CYS 36 HN CYS 36 2.666 15.576 0.256 269 HA CYS 36 HA CYS 36 0.944 17.934 0.116 270 1HB CYS 36 1HB CYS 36 0.019 16.849 -1.921 271 2HB CYS 36 2HB CYS 36 1.729 17.207 -1.917 272 H GLY 37 HN GLY 37 0.206 17.282 2.378 273 1HA GLY 37 1HA GLY 37 -1.317 16.127 3.793 274 2HA GLY 37 2HA GLY 37 -2.222 17.410 2.991 275 HA PRO 38 HA PRO 38 -5.388 14.656 1.550 276 1HB PRO 38 1HB PRO 38 -4.493 15.458 -1.240 277 2HB PRO 38 2HB PRO 38 -6.161 15.215 -0.642 278 1HG PRO 38 1HG PRO 38 -5.155 17.721 -0.749 279 2HG PRO 38 2HG PRO 38 -6.012 17.193 0.729 280 1HD PRO 38 2HD PRO 38 -3.039 17.406 0.267 281 2HD PRO 38 1HD PRO 38 -4.002 17.835 1.709 282 H CYS 39 HN CYS 39 -2.410 14.459 -0.368 283 HA CYS 39 HA CYS 39 -2.464 11.878 -1.432 284 1HB CYS 39 1HB CYS 39 -0.130 13.371 -0.142 285 2HB CYS 39 2HB CYS 39 0.019 11.977 -1.190 286 H LYS 40 HN LYS 40 -1.408 12.979 1.816 287 HA LYS 40 HA LYS 40 -0.736 10.293 2.650 288 1HB LYS 40 2HB LYS 40 0.431 12.421 3.402 289 2HB LYS 40 1HB LYS 40 -1.008 12.816 4.348 290 1HG LYS 40 1HG LYS 40 0.779 11.802 5.689 291 2HG LYS 40 2HG LYS 40 -0.686 10.807 5.732 292 1HD LYS 40 1HD LYS 40 0.265 9.153 4.277 293 2HD LYS 40 2HD LYS 40 1.572 10.235 3.758 294 1HE LYS 40 1HE LYS 40 2.552 10.151 6.027 295 2HE LYS 40 2HE LYS 40 1.233 9.091 6.570 296 1HZ LYS 40 2HZ LYS 40 3.140 8.467 4.420 297 2HZ LYS 40 1HZ LYS 40 3.230 7.894 5.962 298 3HZ LYS 40 3HZ LYS 40 1.968 7.468 4.993 299 H MET 41 HN MET 41 -3.420 12.569 3.140 300 HA MET 41 HA MET 41 -4.866 10.970 5.069 301 1HB MET 41 1HB MET 41 -5.919 12.971 3.013 302 2HB MET 41 2HB MET 41 -6.834 12.335 4.383 303 1HG MET 41 1HG MET 41 -4.302 14.005 4.616 304 2HG MET 41 2HG MET 41 -5.953 14.576 4.849 305 1HE MET 41 1HE MET 41 -5.099 15.657 7.110 306 2HE MET 41 2HE MET 41 -4.327 14.722 8.414 307 3HE MET 41 3HE MET 41 -3.477 14.957 6.869 308 H ILE 42 HN ILE 42 -4.645 10.669 1.571 309 HA ILE 42 HA ILE 42 -6.823 8.775 1.380 310 HB ILE 42 HB ILE 42 -4.406 9.402 -0.343 311 1HG1 ILE 42 2HG12 ILE 42 -7.366 9.762 -0.961 312 2HG1 ILE 42 1HG11 ILE 42 -6.507 10.969 -0.008 313 1HG2 ILE 42 1HG21 ILE 42 -6.644 7.399 -0.872 314 2HG2 ILE 42 2HG22 ILE 42 -5.527 8.012 -2.109 315 3HG2 ILE 42 3HG23 ILE 42 -4.900 7.064 -0.761 316 1HD1 ILE 42 2HD12 ILE 42 -4.871 11.306 -1.807 317 2HD1 ILE 42 3HD13 ILE 42 -5.726 10.119 -2.816 318 3HD1 ILE 42 1HD11 ILE 42 -6.529 11.629 -2.342 319 H ALA 43 HN ALA 43 -3.476 8.466 2.567 320 HA ALA 43 HA ALA 43 -3.200 5.680 2.115 321 1HB ALA 43 3HB ALA 43 -1.297 7.062 2.663 322 2HB ALA 43 2HB ALA 43 -1.883 7.360 4.298 323 3HB ALA 43 1HB ALA 43 -1.448 5.723 3.810 324 HA PRO 44 HA PRO 44 -5.310 5.056 6.554 325 1HB PRO 44 2HB PRO 44 -7.153 7.433 6.141 326 2HB PRO 44 1HB PRO 44 -6.746 6.605 7.673 327 1HG PRO 44 1HG PRO 44 -5.509 8.906 6.901 328 2HG PRO 44 2HG PRO 44 -4.580 7.592 7.697 329 1HD PRO 44 1HD PRO 44 -4.598 8.408 4.840 330 2HD PRO 44 2HD PRO 44 -3.321 7.638 5.809 331 H LEU 45 HN LEU 45 -7.033 6.545 3.795 332 HA LEU 45 HA LEU 45 -9.366 4.848 3.962 333 1HB LEU 45 1HB LEU 45 -8.185 6.109 1.442 334 2HB LEU 45 2HB LEU 45 -9.807 5.481 1.652 335 HG LEU 45 HG LEU 45 -8.601 7.922 3.044 336 1HD1 LEU 45 1HD11 LEU 45 -9.194 8.201 0.642 337 2HD1 LEU 45 2HD12 LEU 45 -10.841 7.637 0.995 338 3HD1 LEU 45 3HD13 LEU 45 -10.249 9.157 1.701 339 1HD2 LEU 45 2HD22 LEU 45 -11.375 6.680 3.330 340 2HD2 LEU 45 3HD23 LEU 45 -10.161 6.885 4.614 341 3HD2 LEU 45 1HD21 LEU 45 -10.927 8.303 3.895 342 H PHE 46 HN PHE 46 -6.450 4.667 1.916 343 HA PHE 46 HA PHE 46 -6.973 2.108 0.769 344 1HB PHE 46 1HB PHE 46 -5.394 3.773 -0.062 345 2HB PHE 46 2HB PHE 46 -4.410 3.597 1.377 346 HD1 PHE 46 HD1 PHE 46 -5.826 1.115 -1.171 347 HD2 PHE 46 HD2 PHE 46 -2.409 2.703 0.872 348 HE1 PHE 46 HE1 PHE 46 -4.342 -0.297 -2.545 349 HE2 PHE 46 HE2 PHE 46 -0.940 1.057 -0.313 350 HZ PHE 46 HZ PHE 46 -1.854 -0.302 -2.119 351 H GLU 47 HN GLU 47 -5.508 3.031 3.878 352 HA GLU 47 HA GLU 47 -4.628 0.411 4.641 353 1HB GLU 47 2HB GLU 47 -3.830 2.627 5.557 354 2HB GLU 47 1HB GLU 47 -5.330 2.698 6.503 355 1HG GLU 47 2HG GLU 47 -4.741 0.701 7.724 356 2HG GLU 47 1HG GLU 47 -3.436 0.312 6.596 357 H THR 48 HN THR 48 -7.716 2.178 4.944 358 HA THR 48 HA THR 48 -8.972 0.274 6.694 359 HB THR 48 HB THR 48 -10.329 1.978 4.555 360 HG1 THR 48 HG1 THR 48 -8.926 3.174 6.038 361 1HG2 THR 48 3HG23 THR 48 -11.300 0.854 7.213 362 2HG2 THR 48 1HG21 THR 48 -12.221 1.910 6.123 363 3HG2 THR 48 2HG22 THR 48 -11.781 0.272 5.604 364 H LEU 49 HN LEU 49 -8.786 0.592 3.086 365 HA LEU 49 HA LEU 49 -10.152 -1.884 2.579 366 1HB LEU 49 1HB LEU 49 -8.066 -0.377 0.934 367 2HB LEU 49 2HB LEU 49 -8.818 -1.887 0.430 368 HG LEU 49 HG LEU 49 -9.899 -0.198 -0.675 369 1HD1 LEU 49 2HD12 LEU 49 -11.294 -2.091 0.307 370 2HD1 LEU 49 3HD13 LEU 49 -11.864 -0.936 1.532 371 3HD1 LEU 49 1HD11 LEU 49 -12.195 -0.650 -0.177 372 1HD2 LEU 49 1HD21 LEU 49 -9.421 1.742 0.730 373 2HD2 LEU 49 3HD23 LEU 49 -11.133 1.660 0.295 374 3HD2 LEU 49 2HD22 LEU 49 -10.625 1.194 1.926 375 H SER 50 HN SER 50 -6.722 -1.186 3.166 376 HA SER 50 HA SER 50 -5.643 -3.810 2.913 377 1HB SER 50 2HB SER 50 -4.785 -1.943 5.133 378 2HB SER 50 1HB SER 50 -3.881 -3.164 4.269 379 HG SER 50 HG SER 50 -4.937 -1.032 2.789 380 H ASN 51 HN ASN 51 -7.102 -2.347 5.846 381 HA ASN 51 HA ASN 51 -7.006 -4.653 7.493 382 1HB ASN 51 2HB ASN 51 -7.556 -2.607 8.529 383 2HB ASN 51 1HB ASN 51 -8.827 -2.216 7.381 384 1HD2 ASN 51 2HD22 ASN 51 -11.355 -4.094 9.039 385 2HD2 ASN 51 1HD21 ASN 51 -10.968 -3.339 7.508 386 H ASP 52 HN ASP 52 -9.550 -3.536 5.234 387 HA ASP 52 HA ASP 52 -11.387 -5.632 5.802 388 1HB ASP 52 2HB ASP 52 -11.081 -4.033 3.217 389 2HB ASP 52 1HB ASP 52 -12.512 -4.924 3.747 390 H TYR 53 HN TYR 53 -9.308 -5.305 2.882 391 HA TYR 53 HA TYR 53 -9.648 -8.156 2.188 392 1HB TYR 53 2HB TYR 53 -8.107 -5.850 0.996 393 2HB TYR 53 1HB TYR 53 -8.086 -7.475 0.323 394 HD1 TYR 53 HD2 TYR 53 -10.098 -8.452 -0.739 395 HD2 TYR 53 HD1 TYR 53 -9.900 -4.319 0.468 396 HE1 TYR 53 HE2 TYR 53 -11.576 -7.826 -2.624 397 HE2 TYR 53 HE1 TYR 53 -11.318 -3.691 -1.459 398 HH TYR 53 HH TYR 53 -12.294 -4.428 -3.439 399 H ALA 54 HN ALA 54 -8.671 -8.291 4.600 400 HA ALA 54 HA ALA 54 -5.914 -7.923 5.042 401 1HB ALA 54 3HB ALA 54 -7.562 -8.349 6.821 402 2HB ALA 54 2HB ALA 54 -7.791 -10.011 6.235 403 3HB ALA 54 1HB ALA 54 -6.227 -9.509 6.913 404 H GLY 55 HN GLY 55 -7.531 -10.495 3.320 405 1HA GLY 55 1HA GLY 55 -5.769 -12.651 3.598 406 2HA GLY 55 2HA GLY 55 -6.914 -12.375 2.278 407 H LYS 56 HN LYS 56 -5.790 -13.020 0.529 408 HA LYS 56 HA LYS 56 -2.960 -12.802 0.233 409 1HB LYS 56 1HB LYS 56 -3.362 -13.858 -1.906 410 2HB LYS 56 2HB LYS 56 -4.324 -14.653 -0.668 411 1HG LYS 56 1HG LYS 56 -6.353 -13.948 -1.564 412 2HG LYS 56 2HG LYS 56 -5.691 -12.433 -2.177 413 1HD LYS 56 2HD LYS 56 -4.399 -13.784 -3.908 414 2HD LYS 56 1HD LYS 56 -5.379 -15.182 -3.429 415 1HE LYS 56 1HE LYS 56 -7.437 -13.857 -4.009 416 2HE LYS 56 2HE LYS 56 -6.399 -12.486 -4.457 417 1HZ LYS 56 3HZ LYS 56 -5.398 -13.900 -6.130 418 2HZ LYS 56 2HZ LYS 56 -6.454 -15.105 -5.770 419 3HZ LYS 56 1HZ LYS 56 -7.018 -13.679 -6.375 420 H VAL 57 HN VAL 57 -3.858 -10.100 0.556 421 HA VAL 57 HA VAL 57 -3.240 -8.925 -2.126 422 HB VAL 57 HB VAL 57 -4.967 -7.708 0.053 423 1HG1 VAL 57 1HG11 VAL 57 -4.392 -6.872 -2.830 424 2HG1 VAL 57 3HG13 VAL 57 -5.614 -6.136 -1.803 425 3HG1 VAL 57 2HG12 VAL 57 -3.895 -6.044 -1.372 426 1HG2 VAL 57 1HG21 VAL 57 -5.819 -9.372 -2.324 427 2HG2 VAL 57 3HG23 VAL 57 -6.322 -9.476 -0.635 428 3HG2 VAL 57 2HG22 VAL 57 -6.874 -8.124 -1.632 429 H ILE 58 HN ILE 58 -1.558 -7.411 -2.059 430 HA ILE 58 HA ILE 58 -0.338 -6.919 0.671 431 HB ILE 58 HB ILE 58 1.127 -6.789 -1.970 432 1HG1 ILE 58 1HG11 ILE 58 0.534 -9.125 -1.753 433 2HG1 ILE 58 2HG12 ILE 58 2.250 -8.909 -1.402 434 1HG2 ILE 58 1HG21 ILE 58 2.056 -6.834 0.919 435 2HG2 ILE 58 3HG23 ILE 58 3.095 -6.821 -0.522 436 3HG2 ILE 58 2HG22 ILE 58 2.049 -5.443 -0.184 437 1HD1 ILE 58 1HD11 ILE 58 1.787 -9.083 1.030 438 2HD1 ILE 58 3HD13 ILE 58 0.059 -9.328 0.668 439 3HD1 ILE 58 2HD12 ILE 58 1.257 -10.509 0.125 440 H PHE 59 HN PHE 59 -0.904 -4.889 1.309 441 HA PHE 59 HA PHE 59 -1.421 -2.801 -0.770 442 1HB PHE 59 1HB PHE 59 -2.335 -2.970 2.132 443 2HB PHE 59 2HB PHE 59 -2.453 -1.542 1.142 444 HD1 PHE 59 HD2 PHE 59 -3.557 -5.159 1.143 445 HD2 PHE 59 HD1 PHE 59 -4.503 -1.064 0.285 446 HE1 PHE 59 HE2 PHE 59 -5.903 -5.768 0.690 447 HE2 PHE 59 HE1 PHE 59 -6.714 -1.738 -0.600 448 HZ PHE 59 HZ PHE 59 -7.475 -4.085 -0.282 449 H LEU 60 HN LEU 60 0.278 -1.771 -1.166 450 HA LEU 60 HA LEU 60 2.327 -1.338 0.927 451 1HB LEU 60 2HB LEU 60 2.201 -2.457 -1.715 452 2HB LEU 60 1HB LEU 60 3.157 -1.034 -1.871 453 HG LEU 60 HG LEU 60 3.492 -3.112 0.348 454 1HD1 LEU 60 3HD13 LEU 60 4.765 -3.055 -2.386 455 2HD1 LEU 60 2HD12 LEU 60 5.225 -4.152 -1.045 456 3HD1 LEU 60 1HD11 LEU 60 3.598 -4.239 -1.751 457 1HD2 LEU 60 1HD21 LEU 60 4.664 -0.919 0.738 458 2HD2 LEU 60 3HD23 LEU 60 5.807 -2.255 0.523 459 3HD2 LEU 60 2HD22 LEU 60 5.505 -1.121 -0.809 460 H LYS 61 HN LYS 61 2.158 0.545 1.819 461 HA LYS 61 HA LYS 61 1.232 2.963 0.313 462 1HB LYS 61 2HB LYS 61 1.571 2.225 3.221 463 2HB LYS 61 1HB LYS 61 1.528 3.937 2.743 464 1HG LYS 61 2HG LYS 61 -0.572 3.771 1.716 465 2HG LYS 61 1HG LYS 61 -0.512 1.993 1.709 466 1HD LYS 61 2HD LYS 61 -0.551 3.368 4.371 467 2HD LYS 61 1HD LYS 61 -2.052 3.337 3.443 468 1HE LYS 61 1HE LYS 61 -0.449 0.806 3.906 469 2HE LYS 61 2HE LYS 61 -1.701 1.365 5.037 470 1HZ LYS 61 2HZ LYS 61 -3.236 1.318 3.173 471 2HZ LYS 61 3HZ LYS 61 -2.066 0.683 2.207 472 3HZ LYS 61 1HZ LYS 61 -2.620 -0.170 3.495 473 H VAL 62 HN VAL 62 2.921 3.399 -1.059 474 HA VAL 62 HA VAL 62 5.666 3.528 0.098 475 HB VAL 62 HB VAL 62 4.709 3.437 -2.796 476 1HG1 VAL 62 1HG11 VAL 62 7.484 3.422 -1.544 477 2HG1 VAL 62 3HG13 VAL 62 7.139 3.134 -3.258 478 3HG1 VAL 62 2HG12 VAL 62 6.833 4.732 -2.557 479 1HG2 VAL 62 1HG21 VAL 62 6.098 1.400 -1.001 480 2HG2 VAL 62 3HG23 VAL 62 4.434 1.292 -1.612 481 3HG2 VAL 62 2HG22 VAL 62 5.796 1.219 -2.740 482 H ASP 63 HN ASP 63 5.874 5.438 1.133 483 HA ASP 63 HA ASP 63 4.869 7.964 0.078 484 1HB ASP 63 1HB ASP 63 6.791 7.275 2.335 485 2HB ASP 63 2HB ASP 63 6.286 8.916 1.918 486 H VAL 64 HN VAL 64 5.743 8.424 -1.933 487 HA VAL 64 HA VAL 64 8.276 7.678 -2.868 488 HB VAL 64 HB VAL 64 7.979 9.267 -4.646 489 1HG1 VAL 64 3HG13 VAL 64 6.520 7.209 -4.569 490 2HG1 VAL 64 1HG11 VAL 64 5.204 8.214 -3.958 491 3HG1 VAL 64 2HG12 VAL 64 5.895 8.546 -5.548 492 1HG2 VAL 64 1HG21 VAL 64 5.884 10.582 -2.911 493 2HG2 VAL 64 3HG23 VAL 64 7.346 11.310 -3.594 494 3HG2 VAL 64 2HG22 VAL 64 6.010 10.853 -4.660 495 H ASP 65 HN ASP 65 7.457 10.517 -0.865 496 HA ASP 65 HA ASP 65 9.884 11.961 -1.325 497 1HB ASP 65 2HB ASP 65 9.385 13.024 0.878 498 2HB ASP 65 1HB ASP 65 8.051 13.070 -0.278 499 H ALA 66 HN ALA 66 9.208 9.057 0.552 500 HA ALA 66 HA ALA 66 11.892 9.167 1.856 501 1HB ALA 66 2HB ALA 66 9.496 7.318 2.245 502 2HB ALA 66 1HB ALA 66 11.039 7.218 3.117 503 3HB ALA 66 3HB ALA 66 9.996 8.642 3.313 504 H VAL 67 HN VAL 67 9.788 6.868 0.067 505 HA VAL 67 HA VAL 67 12.126 5.270 -0.779 506 HB VAL 67 HB VAL 67 9.111 4.945 -0.955 507 1HG1 VAL 67 1HG21 VAL 67 11.276 3.279 -2.191 508 2HG1 VAL 67 3HG23 VAL 67 9.863 2.461 -1.485 509 3HG1 VAL 67 2HG22 VAL 67 9.616 3.663 -2.744 510 1HG2 VAL 67 2HG12 VAL 67 10.187 4.651 1.310 511 2HG2 VAL 67 3HG13 VAL 67 9.526 3.144 0.678 512 3HG2 VAL 67 1HG11 VAL 67 11.263 3.436 0.608 513 H ALA 68 HN ALA 68 12.640 7.556 -1.739 514 HA ALA 68 HA ALA 68 11.482 8.464 -4.134 515 1HB ALA 68 3HB ALA 68 12.996 9.790 -2.731 516 2HB ALA 68 2HB ALA 68 14.358 8.727 -3.146 517 3HB ALA 68 1HB ALA 68 13.590 9.724 -4.401 518 H ALA 69 HN ALA 69 14.452 6.460 -3.835 519 HA ALA 69 HA ALA 69 15.132 6.211 -6.496 520 1HB ALA 69 2HB ALA 69 16.471 5.330 -4.632 521 2HB ALA 69 1HB ALA 69 15.279 4.038 -4.360 522 3HB ALA 69 3HB ALA 69 16.211 4.087 -5.870 523 H VAL 70 HN VAL 70 12.877 4.095 -4.713 524 HA VAL 70 HA VAL 70 12.228 2.381 -6.921 525 HB VAL 70 HB VAL 70 10.683 3.091 -4.433 526 1HG1 VAL 70 3HG23 VAL 70 9.268 1.927 -6.108 527 2HG1 VAL 70 2HG22 VAL 70 10.445 0.600 -6.136 528 3HG1 VAL 70 1HG21 VAL 70 9.534 0.973 -4.647 529 1HG2 VAL 70 2HG12 VAL 70 12.664 0.827 -4.922 530 2HG2 VAL 70 3HG13 VAL 70 12.903 2.198 -3.818 531 3HG2 VAL 70 1HG11 VAL 70 11.656 0.997 -3.469 532 H ALA 71 HN ALA 71 10.614 5.269 -5.468 533 HA ALA 71 HA ALA 71 8.354 5.322 -7.144 534 1HB ALA 71 2HB ALA 71 8.700 6.708 -5.113 535 2HB ALA 71 3HB ALA 71 9.858 7.719 -5.998 536 3HB ALA 71 1HB ALA 71 8.166 7.661 -6.518 537 H GLU 72 HN GLU 72 11.530 6.995 -7.674 538 HA GLU 72 HA GLU 72 10.678 8.045 -10.228 539 1HB GLU 72 1HB GLU 72 12.974 8.659 -10.603 540 2HB GLU 72 2HB GLU 72 12.463 9.098 -8.971 541 1HG GLU 72 2HG GLU 72 13.648 7.070 -8.112 542 2HG GLU 72 1HG GLU 72 14.272 6.760 -9.740 543 H ALA 73 HN ALA 73 12.533 5.060 -9.306 544 HA ALA 73 HA ALA 73 13.025 4.150 -11.929 545 1HB ALA 73 3HB ALA 73 13.993 3.120 -9.910 546 2HB ALA 73 1HB ALA 73 12.391 2.514 -9.432 547 3HB ALA 73 2HB ALA 73 13.167 1.911 -10.909 548 H ALA 74 HN ALA 74 10.109 3.740 -9.891 549 HA ALA 74 HA ALA 74 8.657 2.142 -11.817 550 1HB ALA 74 1HB ALA 74 7.738 3.736 -9.388 551 2HB ALA 74 2HB ALA 74 6.763 2.544 -10.274 552 3HB ALA 74 3HB ALA 74 8.223 2.030 -9.407 553 H GLY 75 HN GLY 75 9.477 5.471 -11.846 554 1HA GLY 75 1HA GLY 75 8.914 7.097 -13.320 555 2HA GLY 75 2HA GLY 75 7.774 5.985 -14.100 556 H ILE 76 HN ILE 76 7.732 6.975 -10.629 557 HA ILE 76 HA ILE 76 4.941 7.834 -10.969 558 HB ILE 76 HB ILE 76 6.759 8.030 -8.532 559 1HG1 ILE 76 1HG11 ILE 76 6.525 5.707 -9.289 560 2HG1 ILE 76 2HG12 ILE 76 5.735 5.989 -7.747 561 1HG2 ILE 76 3HG23 ILE 76 3.748 8.343 -8.933 562 2HG2 ILE 76 2HG22 ILE 76 4.486 8.059 -7.348 563 3HG2 ILE 76 1HG21 ILE 76 4.887 9.518 -8.251 564 1HD1 ILE 76 1HD11 ILE 76 4.342 5.768 -10.462 565 2HD1 ILE 76 2HD12 ILE 76 4.451 4.516 -9.225 566 3HD1 ILE 76 3HD13 ILE 76 3.535 5.989 -8.888 567 H THR 77 HN THR 77 4.173 9.868 -10.955 568 HA THR 77 HA THR 77 6.047 12.182 -10.727 569 HB THR 77 HB THR 77 4.909 13.149 -12.740 570 HG1 THR 77 HG1 THR 77 3.885 11.466 -14.095 571 1HG2 THR 77 1HG21 THR 77 7.128 11.973 -12.909 572 2HG2 THR 77 3HG23 THR 77 6.271 10.481 -13.348 573 3HG2 THR 77 2HG22 THR 77 6.174 11.902 -14.400 574 H ALA 78 HN ALA 78 2.685 11.991 -11.748 575 HA ALA 78 HA ALA 78 1.867 14.044 -9.857 576 1HB ALA 78 1HB ALA 78 0.255 12.292 -11.759 577 2HB ALA 78 2HB ALA 78 -0.350 13.725 -10.899 578 3HB ALA 78 3HB ALA 78 0.929 13.896 -12.117 579 H MET 79 HN MET 79 2.672 12.720 -7.970 580 HA MET 79 HA MET 79 1.270 10.487 -7.011 581 1HB MET 79 1HB MET 79 2.204 10.967 -4.844 582 2HB MET 79 2HB MET 79 3.410 11.310 -6.080 583 1HG MET 79 1HG MET 79 1.709 13.433 -4.693 584 2HG MET 79 2HG MET 79 3.304 12.930 -4.179 585 1HE MET 79 3HE MET 79 2.244 15.933 -4.817 586 2HE MET 79 2HE MET 79 2.694 16.536 -6.428 587 3HE MET 79 1HE MET 79 1.336 15.402 -6.255 588 HA PRO 80 HA PRO 80 0.293 9.660 -5.034 589 1HB PRO 80 2HB PRO 80 -2.053 8.429 -4.438 590 2HB PRO 80 1HB PRO 80 -1.331 9.672 -3.376 591 1HG PRO 80 1HG PRO 80 -3.494 10.060 -5.456 592 2HG PRO 80 2HG PRO 80 -3.475 10.626 -3.760 593 1HD PRO 80 2HD PRO 80 -2.736 12.228 -5.891 594 2HD PRO 80 1HD PRO 80 -1.984 12.383 -4.284 595 H THR 81 HN THR 81 0.153 7.507 -6.007 596 HA THR 81 HA THR 81 -1.333 7.284 -8.587 597 HB THR 81 HB THR 81 1.678 7.198 -8.201 598 HG1 THR 81 HG1 THR 81 0.090 9.175 -8.846 599 1HG2 THR 81 3HG23 THR 81 -0.011 6.450 -10.637 600 2HG2 THR 81 1HG21 THR 81 1.744 6.726 -10.668 601 3HG2 THR 81 2HG22 THR 81 1.077 5.392 -9.710 602 H PHE 82 HN PHE 82 -2.325 5.362 -8.487 603 HA PHE 82 HA PHE 82 -1.418 3.290 -6.594 604 1HB PHE 82 2HB PHE 82 -3.956 3.784 -8.140 605 2HB PHE 82 1HB PHE 82 -3.668 2.301 -7.253 606 HD1 PHE 82 HD2 PHE 82 -4.105 6.004 -6.940 607 HD2 PHE 82 HD1 PHE 82 -3.541 2.310 -4.777 608 HE1 PHE 82 HE2 PHE 82 -4.626 7.159 -4.827 609 HE2 PHE 82 HE1 PHE 82 -4.214 3.448 -2.680 610 HZ PHE 82 HZ PHE 82 -4.653 5.879 -2.681 611 H HIS 83 HN HIS 83 -0.171 1.587 -7.403 612 HA HIS 83 HA HIS 83 -0.491 0.828 -10.308 613 1HB HIS 83 1HB HIS 83 1.891 0.716 -8.431 614 2HB HIS 83 2HB HIS 83 1.785 -0.243 -9.896 615 HD2 HIS 83 HD2 HIS 83 0.461 3.245 -10.654 616 HE1 HIS 83 HE1 HIS 83 4.567 3.228 -11.644 617 HE2 HIS 83 HE2 HIS 83 2.380 4.515 -11.901 618 H VAL 84 HN VAL 84 -0.600 -1.469 -10.700 619 HA VAL 84 HA VAL 84 -0.907 -3.165 -8.269 620 HB VAL 84 HB VAL 84 -2.450 -3.556 -10.857 621 1HG1 VAL 84 1HG21 VAL 84 -2.590 -4.788 -8.059 622 2HG1 VAL 84 2HG22 VAL 84 -3.744 -5.099 -9.355 623 3HG1 VAL 84 3HG23 VAL 84 -2.062 -5.603 -9.546 624 1HG2 VAL 84 2HG12 VAL 84 -3.365 -2.289 -8.239 625 2HG2 VAL 84 1HG11 VAL 84 -3.316 -1.506 -9.838 626 3HG2 VAL 84 3HG13 VAL 84 -4.443 -2.839 -9.536 627 H TYR 85 HN TYR 85 0.552 -4.814 -8.259 628 HA TYR 85 HA TYR 85 2.007 -5.446 -10.797 629 1HB TYR 85 1HB TYR 85 2.916 -5.432 -7.908 630 2HB TYR 85 2HB TYR 85 3.731 -6.354 -9.164 631 HD1 TYR 85 HD2 TYR 85 2.559 -2.816 -8.549 632 HD2 TYR 85 HD1 TYR 85 5.503 -5.427 -10.319 633 HE1 TYR 85 HE2 TYR 85 3.962 -0.853 -9.150 634 HE2 TYR 85 HE1 TYR 85 6.870 -3.471 -10.937 635 HH TYR 85 HH TYR 85 7.096 -1.180 -10.817 636 H LYS 86 HN LYS 86 1.202 -7.275 -11.653 637 HA LYS 86 HA LYS 86 0.369 -9.539 -9.874 638 1HB LYS 86 1HB LYS 86 -0.120 -9.053 -12.834 639 2HB LYS 86 2HB LYS 86 -0.483 -10.552 -12.003 640 1HG LYS 86 1HG LYS 86 -1.721 -7.836 -11.358 641 2HG LYS 86 2HG LYS 86 -2.466 -9.134 -12.290 642 1HD LYS 86 1HD LYS 86 -1.825 -9.142 -9.315 643 2HD LYS 86 2HD LYS 86 -3.407 -9.163 -10.097 644 1HE LYS 86 1HE LYS 86 -1.386 -11.436 -10.061 645 2HE LYS 86 2HE LYS 86 -2.959 -11.346 -9.252 646 1HZ LYS 86 2HZ LYS 86 -2.598 -11.315 -12.163 647 2HZ LYS 86 1HZ LYS 86 -3.001 -12.638 -11.277 648 3HZ LYS 86 3HZ LYS 86 -4.040 -11.369 -11.364 649 H ASP 87 HN ASP 87 1.462 -11.448 -10.094 650 HA ASP 87 HA ASP 87 3.077 -12.953 -10.393 651 1HB ASP 87 1HB ASP 87 2.380 -12.842 -12.758 652 2HB ASP 87 2HB ASP 87 3.569 -11.578 -13.079 653 H GLY 88 HN GLY 88 4.373 -10.086 -11.802 654 1HA GLY 88 1HA GLY 88 6.146 -9.216 -9.800 655 2HA GLY 88 2HA GLY 88 7.083 -10.281 -10.868 656 H VAL 89 HN VAL 89 4.318 -8.217 -11.976 657 HA VAL 89 HA VAL 89 6.146 -6.184 -13.024 658 HB VAL 89 HB VAL 89 6.327 -7.979 -14.685 659 1HG1 VAL 89 2HG12 VAL 89 4.181 -9.154 -14.334 660 2HG1 VAL 89 3HG13 VAL 89 3.302 -7.778 -15.034 661 3HG1 VAL 89 1HG11 VAL 89 4.420 -8.724 -16.030 662 1HG2 VAL 89 1HG21 VAL 89 6.356 -5.608 -15.429 663 2HG2 VAL 89 2HG22 VAL 89 5.778 -6.731 -16.670 664 3HG2 VAL 89 3HG23 VAL 89 4.618 -5.719 -15.797 665 H LYS 90 HN LYS 90 5.122 -4.315 -13.547 666 HA LYS 90 HA LYS 90 2.723 -3.585 -12.261 667 1HB LYS 90 2HB LYS 90 4.665 -2.134 -12.985 668 2HB LYS 90 1HB LYS 90 4.062 -2.241 -14.645 669 1HG LYS 90 1HG LYS 90 1.831 -1.302 -13.690 670 2HG LYS 90 2HG LYS 90 2.747 -0.953 -12.216 671 1HD LYS 90 1HD LYS 90 3.267 0.113 -15.033 672 2HD LYS 90 2HD LYS 90 2.644 1.017 -13.644 673 1HE LYS 90 1HE LYS 90 4.837 0.591 -12.453 674 2HE LYS 90 2HE LYS 90 5.459 -0.151 -13.934 675 1HZ LYS 90 1HZ LYS 90 4.445 2.591 -13.790 676 2HZ LYS 90 3HZ LYS 90 6.031 2.190 -13.689 677 3HZ LYS 90 2HZ LYS 90 5.186 1.875 -15.072 678 H ALA 91 HN ALA 91 0.824 -4.550 -12.794 679 HA ALA 91 HA ALA 91 0.233 -5.411 -15.555 680 1HB ALA 91 3HB ALA 91 -0.071 -6.947 -13.661 681 2HB ALA 91 2HB ALA 91 -1.235 -5.826 -12.916 682 3HB ALA 91 1HB ALA 91 -1.619 -6.609 -14.465 683 H ASP 92 HN ASP 92 -0.939 -3.085 -13.130 684 HA ASP 92 HA ASP 92 -2.516 -1.683 -15.158 685 1HB ASP 92 1HB ASP 92 -3.956 -3.613 -14.347 686 2HB ASP 92 2HB ASP 92 -3.879 -2.906 -12.721 687 H ASP 93 HN ASP 93 -3.607 0.298 -14.022 688 HA ASP 93 HA ASP 93 -2.552 1.080 -11.479 689 1HB ASP 93 2HB ASP 93 -1.132 2.947 -12.195 690 2HB ASP 93 1HB ASP 93 -0.495 1.463 -12.871 691 H LEU 94 HN LEU 94 -2.904 3.445 -11.127 692 HA LEU 94 HA LEU 94 -4.978 4.845 -12.626 693 1HB LEU 94 2HB LEU 94 -6.374 3.437 -11.321 694 2HB LEU 94 1HB LEU 94 -5.429 3.659 -9.853 695 HG LEU 94 HG LEU 94 -7.647 4.741 -9.952 696 1HD1 LEU 94 3HD23 LEU 94 -5.949 5.473 -8.328 697 2HD1 LEU 94 1HD21 LEU 94 -5.526 6.825 -9.408 698 3HD1 LEU 94 2HD22 LEU 94 -7.140 6.708 -8.745 699 1HD2 LEU 94 3HD13 LEU 94 -7.554 5.541 -12.307 700 2HD2 LEU 94 2HD12 LEU 94 -7.989 6.830 -11.164 701 3HD2 LEU 94 1HD11 LEU 94 -6.353 6.757 -11.833 702 H VAL 95 HN VAL 95 -3.903 6.790 -12.761 703 HA VAL 95 HA VAL 95 -2.066 7.642 -10.637 704 HB VAL 95 HB VAL 95 -2.955 9.251 -13.003 705 1HG1 VAL 95 3HG13 VAL 95 -1.589 10.409 -11.289 706 2HG1 VAL 95 2HG12 VAL 95 -0.309 9.199 -11.520 707 3HG1 VAL 95 1HG11 VAL 95 -0.756 10.286 -12.843 708 1HG2 VAL 95 3HG23 VAL 95 -0.760 7.121 -12.971 709 2HG2 VAL 95 1HG21 VAL 95 -2.203 7.124 -14.007 710 3HG2 VAL 95 2HG22 VAL 95 -0.950 8.339 -14.247 711 H GLY 96 HN GLY 96 -2.555 9.447 -9.196 712 1HA GLY 96 1HA GLY 96 -3.794 11.229 -8.428 713 2HA GLY 96 2HA GLY 96 -5.098 10.884 -9.575 714 H ALA 97 HN ALA 97 -6.627 11.074 -7.842 715 HA ALA 97 HA ALA 97 -6.678 8.841 -5.850 716 1HB ALA 97 3HB ALA 97 -6.325 11.095 -4.875 717 2HB ALA 97 1HB ALA 97 -7.824 11.654 -5.640 718 3HB ALA 97 2HB ALA 97 -7.886 10.383 -4.402 719 H SER 98 HN SER 98 -8.272 7.414 -6.266 720 HA SER 98 HA SER 98 -10.976 8.255 -7.010 721 1HB SER 98 1HB SER 98 -9.393 6.450 -8.881 722 2HB SER 98 2HB SER 98 -11.109 6.858 -9.007 723 HG SER 98 HG SER 98 -9.837 9.150 -8.878 724 H GLN 99 HN GLN 99 -11.146 7.411 -4.828 725 HA GLN 99 HA GLN 99 -10.326 4.826 -4.025 726 1HB GLN 99 2HB GLN 99 -12.252 5.011 -2.338 727 2HB GLN 99 1HB GLN 99 -10.900 6.127 -2.233 728 1HG GLN 99 1HG GLN 99 -13.413 6.954 -3.708 729 2HG GLN 99 2HG GLN 99 -13.342 7.008 -1.947 730 1HE2 GLN 99 1HE21 GLN 99 -11.075 9.761 -1.780 731 2HE2 GLN 99 2HE22 GLN 99 -11.718 8.405 -0.874 732 H ASP 100 HN ASP 100 -13.148 5.740 -5.958 733 HA ASP 100 HA ASP 100 -14.593 3.256 -5.691 734 1HB ASP 100 1HB ASP 100 -15.744 3.993 -7.713 735 2HB ASP 100 2HB ASP 100 -15.635 5.322 -6.553 736 H LYS 101 HN LYS 101 -12.214 4.540 -8.039 737 HA LYS 101 HA LYS 101 -12.044 2.157 -9.597 738 1HB LYS 101 2HB LYS 101 -11.290 4.466 -10.321 739 2HB LYS 101 1HB LYS 101 -9.949 4.315 -9.186 740 1HG LYS 101 1HG LYS 101 -9.170 3.863 -11.397 741 2HG LYS 101 2HG LYS 101 -9.027 2.403 -10.408 742 1HD LYS 101 2HD LYS 101 -11.151 1.551 -11.508 743 2HD LYS 101 1HD LYS 101 -11.142 2.995 -12.535 744 1HE LYS 101 2HE LYS 101 -9.012 0.800 -12.379 745 2HE LYS 101 1HE LYS 101 -10.159 1.063 -13.699 746 1HZ LYS 101 1HZ LYS 101 -9.093 3.177 -14.101 747 2HZ LYS 101 3HZ LYS 101 -8.004 2.889 -12.897 748 3HZ LYS 101 2HZ LYS 101 -8.025 1.928 -14.227 749 H LEU 102 HN LEU 102 -10.298 3.338 -6.723 750 HA LEU 102 HA LEU 102 -8.291 1.389 -6.565 751 1HB LEU 102 2HB LEU 102 -8.624 3.477 -5.192 752 2HB LEU 102 1HB LEU 102 -9.813 2.615 -4.224 753 HG LEU 102 HG LEU 102 -8.221 1.131 -3.297 754 1HD1 LEU 102 2HD22 LEU 102 -6.275 2.302 -5.319 755 2HD1 LEU 102 1HD21 LEU 102 -5.764 1.379 -3.886 756 3HD1 LEU 102 3HD23 LEU 102 -6.745 0.598 -5.125 757 1HD2 LEU 102 2HD12 LEU 102 -8.423 3.403 -2.346 758 2HD2 LEU 102 3HD13 LEU 102 -6.760 2.831 -2.178 759 3HD2 LEU 102 1HD11 LEU 102 -7.160 3.996 -3.443 760 H LYS 103 HN LYS 103 -11.517 1.375 -4.995 761 HA LYS 103 HA LYS 103 -11.476 -1.233 -3.917 762 1HB LYS 103 2HB LYS 103 -13.736 0.438 -5.101 763 2HB LYS 103 1HB LYS 103 -13.993 -1.076 -4.235 764 1HG LYS 103 1HG LYS 103 -13.110 -0.198 -2.197 765 2HG LYS 103 2HG LYS 103 -12.512 1.271 -2.983 766 1HD LYS 103 2HD LYS 103 -14.885 1.844 -3.610 767 2HD LYS 103 1HD LYS 103 -15.442 0.470 -2.645 768 1HE LYS 103 2HE LYS 103 -13.856 2.884 -1.627 769 2HE LYS 103 1HE LYS 103 -15.595 2.626 -1.420 770 1HZ LYS 103 1HZ LYS 103 -15.080 0.647 -0.161 771 2HZ LYS 103 2HZ LYS 103 -13.465 0.942 -0.313 772 3HZ LYS 103 3HZ LYS 103 -14.417 1.991 0.523 773 H ALA 104 HN ALA 104 -12.619 -0.127 -7.142 774 HA ALA 104 HA ALA 104 -13.289 -2.658 -8.186 775 1HB ALA 104 1HB ALA 104 -13.905 -0.477 -9.208 776 2HB ALA 104 2HB ALA 104 -12.217 -0.242 -9.708 777 3HB ALA 104 3HB ALA 104 -13.157 -1.587 -10.373 778 H LEU 105 HN LEU 105 -10.102 -0.972 -8.225 779 HA LEU 105 HA LEU 105 -8.744 -2.830 -9.896 780 1HB LEU 105 1HB LEU 105 -7.814 -0.908 -7.734 781 2HB LEU 105 2HB LEU 105 -6.681 -1.963 -8.561 782 HG LEU 105 HG LEU 105 -8.495 -0.119 -10.140 783 1HD1 LEU 105 1HD21 LEU 105 -5.761 0.489 -8.921 784 2HD1 LEU 105 2HD22 LEU 105 -6.550 1.459 -10.180 785 3HD1 LEU 105 3HD23 LEU 105 -7.288 1.331 -8.578 786 1HD2 LEU 105 1HD11 LEU 105 -7.263 -1.912 -11.372 787 2HD2 LEU 105 3HD13 LEU 105 -6.698 -0.288 -11.804 788 3HD2 LEU 105 2HD12 LEU 105 -5.737 -1.288 -10.710 789 H VAL 106 HN VAL 106 -8.977 -2.636 -6.278 790 HA VAL 106 HA VAL 106 -7.387 -4.957 -5.850 791 HB VAL 106 HB VAL 106 -9.719 -4.002 -4.121 792 1HG1 VAL 106 1HG21 VAL 106 -7.308 -5.811 -3.579 793 2HG1 VAL 106 3HG23 VAL 106 -8.394 -5.196 -2.324 794 3HG1 VAL 106 2HG22 VAL 106 -9.007 -6.305 -3.557 795 1HG2 VAL 106 3HG13 VAL 106 -7.971 -2.223 -4.436 796 2HG2 VAL 106 2HG12 VAL 106 -8.031 -2.845 -2.785 797 3HG2 VAL 106 1HG11 VAL 106 -6.746 -3.375 -3.889 798 H ALA 107 HN ALA 107 -10.924 -4.649 -6.168 799 HA ALA 107 HA ALA 107 -11.567 -7.401 -5.942 800 1HB ALA 107 1HB ALA 107 -13.256 -5.617 -5.941 801 2HB ALA 107 2HB ALA 107 -12.934 -5.268 -7.651 802 3HB ALA 107 3HB ALA 107 -13.631 -6.830 -7.179 803 H LYS 108 HN LYS 108 -11.072 -5.536 -8.962 804 HA LYS 108 HA LYS 108 -11.249 -7.504 -10.897 805 1HB LYS 108 2HB LYS 108 -11.058 -5.195 -11.458 806 2HB LYS 108 1HB LYS 108 -9.497 -5.031 -10.644 807 1HG LYS 108 1HG LYS 108 -8.402 -6.450 -12.324 808 2HG LYS 108 2HG LYS 108 -9.922 -6.648 -13.191 809 1HD LYS 108 2HD LYS 108 -8.520 -3.985 -12.637 810 2HD LYS 108 1HD LYS 108 -8.368 -4.921 -14.132 811 1HE LYS 108 1HE LYS 108 -10.838 -4.679 -14.498 812 2HE LYS 108 2HE LYS 108 -10.925 -3.640 -13.061 813 1HZ LYS 108 1HZ LYS 108 -9.387 -2.154 -14.114 814 2HZ LYS 108 3HZ LYS 108 -9.328 -3.103 -15.458 815 3HZ LYS 108 2HZ LYS 108 -10.738 -2.359 -15.037 816 H HIS 109 HN HIS 109 -8.231 -6.439 -9.256 817 HA HIS 109 HA HIS 109 -6.736 -8.664 -10.455 818 1HB HIS 109 1HB HIS 109 -5.970 -6.373 -8.610 819 2HB HIS 109 2HB HIS 109 -4.831 -7.522 -9.318 820 HD2 HIS 109 HD2 HIS 109 -6.611 -4.261 -10.276 821 HE1 HIS 109 HE1 HIS 109 -4.989 -5.842 -13.831 822 HE2 HIS 109 HE2 HIS 109 -6.105 -3.803 -12.802 823 H ALA 110 HN ALA 110 -8.860 -8.838 -8.012 824 HA ALA 110 HA ALA 110 -7.217 -10.743 -6.397 825 1HB ALA 110 2HB ALA 110 -9.980 -9.563 -5.879 826 2HB ALA 110 1HB ALA 110 -9.151 -10.768 -4.879 827 3HB ALA 110 3HB ALA 110 -8.470 -9.143 -5.038 828 H ALA 111 HN ALA 111 -10.223 -10.291 -8.298 829 HA ALA 111 HA ALA 111 -10.945 -13.074 -8.436 830 1HB ALA 111 2HB ALA 111 -11.619 -10.717 -10.263 831 2HB ALA 111 1HB ALA 111 -12.410 -12.308 -10.291 832 3HB ALA 111 3HB ALA 111 -12.561 -11.266 -8.861 833 H ALA 112 HN ALA 112 -9.345 -10.854 -10.709 834 HA ALA 112 HA ALA 112 -8.129 -13.128 -12.222 835 1HB ALA 112 1HB ALA 112 -9.373 -11.454 -13.592 836 2HB ALA 112 3HB ALA 112 -8.337 -10.168 -12.928 837 3HB ALA 112 2HB ALA 112 -7.629 -11.450 -13.929 No H/Q in entry = 837 Start of MODEL 5 1 1H GLY 1 1HN GLY 1 -6.848 -7.953 9.414 2 2H GLY 1 2HN GLY 1 -6.370 -6.397 9.518 3 3H GLY 1 3HN GLY 1 -7.977 -6.762 9.765 4 1HA GLY 1 1HA GLY 1 -8.312 -7.306 7.538 5 2HA GLY 1 2HA GLY 1 -7.291 -5.838 7.516 6 H GLY 2 HN GLY 2 -6.834 -7.045 5.253 7 1HA GLY 2 1HA GLY 2 -5.142 -9.367 5.276 8 2HA GLY 2 2HA GLY 2 -5.341 -8.209 3.949 9 H SER 3 HN SER 3 -2.893 -9.014 3.927 10 HA SER 3 HA SER 3 -1.023 -7.766 5.713 11 1HB SER 3 2HB SER 3 0.411 -8.376 3.479 12 2HB SER 3 1HB SER 3 -0.097 -9.571 4.681 13 HG SER 3 HG SER 3 -1.545 -8.930 2.328 14 H VAL 4 HN VAL 4 -2.062 -5.648 5.737 15 HA VAL 4 HA VAL 4 -1.231 -3.914 3.456 16 HB VAL 4 HB VAL 4 -3.528 -3.736 5.426 17 1HG1 VAL 4 1HG21 VAL 4 -2.406 -1.670 3.578 18 2HG1 VAL 4 3HG23 VAL 4 -4.169 -1.813 3.691 19 3HG1 VAL 4 2HG22 VAL 4 -3.194 -1.543 5.144 20 1HG2 VAL 4 1HG11 VAL 4 -3.412 -4.695 2.557 21 2HG2 VAL 4 2HG12 VAL 4 -4.279 -5.338 3.928 22 3HG2 VAL 4 3HG13 VAL 4 -4.866 -3.881 3.139 23 H ILE 5 HN ILE 5 0.395 -2.495 3.907 24 HA ILE 5 HA ILE 5 0.505 -1.297 6.606 25 HB ILE 5 HB ILE 5 2.852 -1.772 6.940 26 1HG1 ILE 5 1HG11 ILE 5 2.877 -3.665 4.556 27 2HG1 ILE 5 2HG12 ILE 5 3.410 -1.987 4.419 28 1HG2 ILE 5 2HG22 ILE 5 1.184 -3.403 7.817 29 2HG2 ILE 5 3HG23 ILE 5 1.459 -4.425 6.384 30 3HG2 ILE 5 1HG21 ILE 5 2.772 -4.112 7.528 31 1HD1 ILE 5 3HD13 ILE 5 5.015 -2.337 6.305 32 2HD1 ILE 5 2HD12 ILE 5 4.653 -4.074 6.225 33 3HD1 ILE 5 1HD11 ILE 5 5.368 -3.239 4.830 34 H VAL 6 HN VAL 6 2.345 0.273 6.717 35 HA VAL 6 HA VAL 6 2.649 1.854 4.245 36 HB VAL 6 HB VAL 6 2.690 2.807 7.153 37 1HG1 VAL 6 1HG21 VAL 6 2.779 4.309 4.505 38 2HG1 VAL 6 3HG23 VAL 6 2.627 5.075 6.101 39 3HG1 VAL 6 2HG22 VAL 6 4.092 4.176 5.687 40 1HG2 VAL 6 2HG12 VAL 6 0.468 3.055 5.081 41 2HG2 VAL 6 3HG13 VAL 6 0.392 2.218 6.641 42 3HG2 VAL 6 1HG11 VAL 6 0.543 3.976 6.596 43 H ILE 7 HN ILE 7 4.865 2.217 3.693 44 HA ILE 7 HA ILE 7 6.893 1.535 5.677 45 HB ILE 7 HB ILE 7 6.085 -0.664 4.700 46 1HG1 ILE 7 1HG11 ILE 7 8.236 -1.603 4.066 47 2HG1 ILE 7 2HG12 ILE 7 8.966 -0.002 3.945 48 1HG2 ILE 7 2HG22 ILE 7 5.516 0.191 2.420 49 2HG2 ILE 7 1HG21 ILE 7 7.250 0.365 2.071 50 3HG2 ILE 7 3HG23 ILE 7 6.560 -1.234 2.387 51 1HD1 ILE 7 2HD12 ILE 7 7.695 -1.176 6.471 52 2HD1 ILE 7 1HD11 ILE 7 9.430 -1.204 6.115 53 3HD1 ILE 7 3HD13 ILE 7 8.620 0.342 6.378 54 H ASP 8 HN ASP 8 8.963 2.162 5.118 55 HA ASP 8 HA ASP 8 9.245 3.900 2.708 56 1HB ASP 8 2HB ASP 8 10.870 5.163 4.029 57 2HB ASP 8 1HB ASP 8 9.272 5.197 4.781 58 H SER 9 HN SER 9 11.139 2.055 5.028 59 HA SER 9 HA SER 9 13.533 1.668 3.962 60 1HB SER 9 1HB SER 9 11.820 -0.447 5.331 61 2HB SER 9 2HB SER 9 13.590 -0.439 5.240 62 HG SER 9 HG SER 9 11.955 1.542 6.517 63 H LYS 10 HN LYS 10 13.973 1.375 1.866 64 HA LYS 10 HA LYS 10 12.795 0.001 -0.155 65 1HB LYS 10 1HB LYS 10 15.782 -0.045 0.400 66 2HB LYS 10 2HB LYS 10 14.997 -0.304 -1.161 67 1HG LYS 10 1HG LYS 10 14.112 2.040 -1.051 68 2HG LYS 10 2HG LYS 10 15.060 2.298 0.434 69 1HD LYS 10 1HD LYS 10 17.134 1.682 -0.825 70 2HD LYS 10 2HD LYS 10 16.165 1.550 -2.306 71 1HE LYS 10 2HE LYS 10 15.486 3.945 -2.052 72 2HE LYS 10 1HE LYS 10 16.488 4.065 -0.592 73 1HZ LYS 10 1HZ LYS 10 18.395 3.547 -1.931 74 2HZ LYS 10 3HZ LYS 10 17.468 3.443 -3.289 75 3HZ LYS 10 2HZ LYS 10 17.625 4.885 -2.507 76 H ALA 11 HN ALA 11 15.114 -1.375 2.169 77 HA ALA 11 HA ALA 11 15.289 -4.004 1.245 78 1HB ALA 11 1HB ALA 11 16.665 -3.096 3.080 79 2HB ALA 11 3HB ALA 11 15.242 -3.037 4.146 80 3HB ALA 11 2HB ALA 11 15.868 -4.600 3.579 81 H ALA 12 HN ALA 12 12.801 -2.626 3.440 82 HA ALA 12 HA ALA 12 11.448 -5.159 3.890 83 1HB ALA 12 3HB ALA 12 11.336 -3.312 5.518 84 2HB ALA 12 2HB ALA 12 10.528 -2.291 4.307 85 3HB ALA 12 1HB ALA 12 9.720 -3.747 4.922 86 H TRP 13 HN TRP 13 10.991 -2.302 1.802 87 HA TRP 13 HA TRP 13 8.577 -2.999 0.510 88 1HB TRP 13 2HB TRP 13 9.149 -0.914 -0.144 89 2HB TRP 13 1HB TRP 13 10.865 -1.189 0.046 90 HD1 TRP 13 HD1 TRP 13 12.309 -1.712 -2.029 91 HE1 TRP 13 HE1 TRP 13 11.930 -1.807 -4.541 92 HE3 TRP 13 HE3 TRP 13 7.205 -1.215 -2.100 93 HZ2 TRP 13 HZ2 TRP 13 9.765 -1.508 -6.361 94 HZ3 TRP 13 HZ3 TRP 13 6.053 -0.929 -4.280 95 HH2 TRP 13 HH2 TRP 13 7.290 -1.165 -6.408 96 H ASP 14 HN ASP 14 11.902 -3.645 -0.664 97 HA ASP 14 HA ASP 14 11.187 -5.334 -2.814 98 1HB ASP 14 2HB ASP 14 13.740 -5.187 -1.144 99 2HB ASP 14 1HB ASP 14 13.574 -6.149 -2.620 100 H ALA 15 HN ALA 15 12.181 -6.142 0.511 101 HA ALA 15 HA ALA 15 12.156 -8.928 0.285 102 1HB ALA 15 2HB ALA 15 11.394 -7.227 2.695 103 2HB ALA 15 3HB ALA 15 11.763 -8.961 2.732 104 3HB ALA 15 1HB ALA 15 13.022 -7.804 2.272 105 H GLN 16 HN GLN 16 9.443 -6.929 1.530 106 HA GLN 16 HA GLN 16 7.640 -9.133 1.690 107 1HB GLN 16 1HB GLN 16 7.475 -6.895 2.833 108 2HB GLN 16 2HB GLN 16 6.807 -6.233 1.322 109 1HG GLN 16 2HG GLN 16 4.980 -7.959 1.419 110 2HG GLN 16 1HG GLN 16 5.702 -8.636 2.881 111 1HE2 GLN 16 2HE22 GLN 16 4.671 -5.150 4.317 112 2HE2 GLN 16 1HE21 GLN 16 6.237 -5.520 3.617 113 H LEU 17 HN LEU 17 8.108 -6.648 -0.858 114 HA LEU 17 HA LEU 17 6.134 -7.321 -2.671 115 1HB LEU 17 1HB LEU 17 7.583 -5.415 -2.956 116 2HB LEU 17 2HB LEU 17 9.014 -6.444 -3.042 117 HG LEU 17 HG LEU 17 8.287 -7.326 -5.234 118 1HD1 LEU 17 1HD21 LEU 17 6.073 -5.239 -4.954 119 2HD1 LEU 17 2HD22 LEU 17 6.495 -6.089 -6.455 120 3HD1 LEU 17 3HD23 LEU 17 5.865 -7.004 -5.080 121 1HD2 LEU 17 3HD13 LEU 17 9.834 -5.415 -5.048 122 2HD2 LEU 17 1HD11 LEU 17 8.786 -5.247 -6.468 123 3HD2 LEU 17 2HD12 LEU 17 8.458 -4.293 -5.006 124 H ALA 18 HN ALA 18 9.407 -8.852 -2.394 125 HA ALA 18 HA ALA 18 8.674 -10.755 -4.523 126 1HB ALA 18 3HB ALA 18 10.955 -9.772 -4.360 127 2HB ALA 18 1HB ALA 18 11.168 -10.514 -2.758 128 3HB ALA 18 2HB ALA 18 11.003 -11.540 -4.201 129 H LYS 19 HN LYS 19 9.387 -11.092 -0.952 130 HA LYS 19 HA LYS 19 9.231 -13.918 -1.028 131 1HB LYS 19 2HB LYS 19 8.934 -13.922 1.308 132 2HB LYS 19 1HB LYS 19 10.141 -12.699 0.897 133 1HG LYS 19 1HG LYS 19 8.863 -10.987 1.717 134 2HG LYS 19 2HG LYS 19 7.340 -11.677 1.212 135 1HD LYS 19 2HD LYS 19 7.286 -11.651 3.548 136 2HD LYS 19 1HD LYS 19 7.537 -13.342 3.125 137 1HE LYS 19 2HE LYS 19 9.747 -11.385 3.973 138 2HE LYS 19 1HE LYS 19 8.906 -12.491 5.069 139 1HZ LYS 19 2HZ LYS 19 9.723 -14.321 3.771 140 2HZ LYS 19 3HZ LYS 19 10.560 -13.293 2.792 141 3HZ LYS 19 1HZ LYS 19 10.954 -13.412 4.384 142 H GLY 20 HN GLY 20 6.626 -11.507 -0.991 143 1HA GLY 20 1HA GLY 20 4.454 -13.123 -0.301 144 2HA GLY 20 2HA GLY 20 4.421 -11.803 -1.484 145 H LYS 21 HN LYS 21 6.313 -13.066 -3.378 146 HA LYS 21 HA LYS 21 5.969 -14.077 -5.415 147 1HB LYS 21 2HB LYS 21 5.429 -16.417 -3.528 148 2HB LYS 21 1HB LYS 21 5.859 -16.530 -5.238 149 1HG LYS 21 2HG LYS 21 8.007 -15.201 -4.642 150 2HG LYS 21 1HG LYS 21 7.531 -15.418 -2.959 151 1HD LYS 21 1HD LYS 21 8.895 -17.225 -3.127 152 2HD LYS 21 2HD LYS 21 7.394 -17.998 -3.642 153 1HE LYS 21 1HE LYS 21 9.631 -16.896 -5.427 154 2HE LYS 21 2HE LYS 21 9.277 -18.602 -5.120 155 1HZ LYS 21 1HZ LYS 21 7.159 -18.281 -6.195 156 2HZ LYS 21 2HZ LYS 21 7.524 -16.706 -6.511 157 3HZ LYS 21 3HZ LYS 21 8.407 -17.910 -7.205 158 H GLU 22 HN GLU 22 3.924 -12.606 -5.055 159 HA GLU 22 HA GLU 22 1.351 -13.953 -4.823 160 1HB GLU 22 1HB GLU 22 2.244 -11.122 -5.472 161 2HB GLU 22 2HB GLU 22 0.568 -11.535 -5.239 162 1HG GLU 22 1HG GLU 22 2.696 -12.011 -3.108 163 2HG GLU 22 2HG GLU 22 1.654 -10.604 -3.202 164 H GLU 23 HN GLU 23 2.351 -15.285 -6.755 165 HA GLU 23 HA GLU 23 2.486 -15.063 -9.329 166 1HB GLU 23 1HB GLU 23 0.446 -16.903 -8.003 167 2HB GLU 23 2HB GLU 23 1.021 -17.049 -9.673 168 1HG GLU 23 2HG GLU 23 3.361 -17.291 -8.826 169 2HG GLU 23 1HG GLU 23 2.748 -17.262 -7.166 170 H HIS 24 HN HIS 24 -0.880 -15.191 -8.107 171 HA HIS 24 HA HIS 24 -1.678 -13.046 -9.995 172 1HB HIS 24 2HB HIS 24 -2.251 -15.249 -11.031 173 2HB HIS 24 1HB HIS 24 -3.220 -15.649 -9.610 174 HD2 HIS 24 HD2 HIS 24 -5.623 -14.045 -9.341 175 HE1 HIS 24 HE1 HIS 24 -5.480 -12.676 -13.338 176 HE2 HIS 24 HE2 HIS 24 -6.963 -12.898 -11.259 177 H LYS 25 HN LYS 25 -0.998 -12.324 -7.597 178 HA LYS 25 HA LYS 25 -3.600 -11.993 -6.211 179 1HB LYS 25 2HB LYS 25 -1.016 -12.898 -4.931 180 2HB LYS 25 1HB LYS 25 -2.300 -12.050 -4.033 181 1HG LYS 25 2HG LYS 25 -3.906 -13.786 -4.729 182 2HG LYS 25 1HG LYS 25 -2.621 -14.636 -5.612 183 1HD LYS 25 2HD LYS 25 -1.330 -14.905 -3.516 184 2HD LYS 25 1HD LYS 25 -2.603 -14.070 -2.611 185 1HE LYS 25 1HE LYS 25 -3.020 -16.610 -4.255 186 2HE LYS 25 2HE LYS 25 -2.717 -16.605 -2.504 187 1HZ LYS 25 3HZ LYS 25 -4.715 -15.298 -2.246 188 2HZ LYS 25 2HZ LYS 25 -5.005 -15.366 -3.866 189 3HZ LYS 25 1HZ LYS 25 -5.034 -16.744 -2.969 190 HA PRO 26 HA PRO 26 -2.261 -7.902 -6.905 191 1HB PRO 26 2HB PRO 26 -4.009 -6.439 -5.418 192 2HB PRO 26 1HB PRO 26 -4.505 -7.433 -6.811 193 1HG PRO 26 1HG PRO 26 -4.593 -8.205 -3.894 194 2HG PRO 26 2HG PRO 26 -5.927 -8.307 -5.082 195 1HD PRO 26 2HD PRO 26 -4.350 -10.463 -4.505 196 2HD PRO 26 1HD PRO 26 -4.880 -10.156 -6.191 197 H ILE 27 HN ILE 27 -0.230 -7.348 -6.313 198 HA ILE 27 HA ILE 27 0.233 -6.535 -3.496 199 HB ILE 27 HB ILE 27 2.103 -6.528 -5.886 200 1HG1 ILE 27 1HG11 ILE 27 1.824 -8.425 -3.541 201 2HG1 ILE 27 2HG12 ILE 27 1.544 -8.803 -5.248 202 1HG2 ILE 27 3HG23 ILE 27 2.539 -4.782 -4.078 203 2HG2 ILE 27 2HG22 ILE 27 2.755 -6.112 -2.935 204 3HG2 ILE 27 1HG21 ILE 27 3.840 -5.932 -4.323 205 1HD1 ILE 27 1HD11 ILE 27 3.965 -8.318 -5.701 206 2HD1 ILE 27 2HD12 ILE 27 4.205 -8.134 -3.939 207 3HD1 ILE 27 3HD13 ILE 27 3.715 -9.684 -4.599 208 H VAL 28 HN VAL 28 -0.877 -4.628 -3.178 209 HA VAL 28 HA VAL 28 -1.279 -2.783 -5.486 210 HB VAL 28 HB VAL 28 -2.653 -2.660 -2.779 211 1HG1 VAL 28 3HG13 VAL 28 -3.226 -1.451 -5.531 212 2HG1 VAL 28 1HG11 VAL 28 -4.272 -1.293 -4.116 213 3HG1 VAL 28 2HG12 VAL 28 -2.651 -0.566 -4.108 214 1HG2 VAL 28 3HG23 VAL 28 -3.550 -4.013 -5.359 215 2HG2 VAL 28 1HG21 VAL 28 -3.262 -4.806 -3.787 216 3HG2 VAL 28 2HG22 VAL 28 -4.592 -3.663 -3.970 217 H VAL 29 HN VAL 29 0.229 -1.231 -5.611 218 HA VAL 29 HA VAL 29 1.768 -0.493 -3.164 219 HB VAL 29 HB VAL 29 2.407 -0.452 -6.113 220 1HG1 VAL 29 3HG13 VAL 29 4.091 0.453 -3.742 221 2HG1 VAL 29 2HG12 VAL 29 4.620 0.315 -5.442 222 3HG1 VAL 29 1HG11 VAL 29 3.408 1.517 -4.985 223 1HG2 VAL 29 2HG22 VAL 29 3.448 -2.031 -3.730 224 2HG2 VAL 29 1HG21 VAL 29 2.449 -2.665 -5.047 225 3HG2 VAL 29 3HG23 VAL 29 4.104 -2.125 -5.378 226 H ASP 30 HN ASP 30 1.204 1.371 -2.285 227 HA ASP 30 HA ASP 30 -0.168 3.454 -3.958 228 1HB ASP 30 1HB ASP 30 -1.507 2.814 -2.114 229 2HB ASP 30 2HB ASP 30 -0.172 2.898 -0.984 230 H PHE 31 HN PHE 31 1.411 4.672 -4.865 231 HA PHE 31 HA PHE 31 3.714 5.609 -3.211 232 1HB PHE 31 1HB PHE 31 3.011 5.962 -6.149 233 2HB PHE 31 2HB PHE 31 4.384 6.690 -5.354 234 HD1 PHE 31 HD2 PHE 31 6.161 5.165 -4.275 235 HD2 PHE 31 HD1 PHE 31 3.174 3.743 -7.045 236 HE1 PHE 31 HE2 PHE 31 7.586 3.215 -4.818 237 HE2 PHE 31 HE1 PHE 31 4.647 1.837 -7.634 238 HZ PHE 31 HZ PHE 31 6.807 1.518 -6.472 239 H THR 32 HN THR 32 2.539 6.936 -1.757 240 HA THR 32 HA THR 32 1.179 9.335 -2.930 241 HB THR 32 HB THR 32 0.563 7.692 -0.459 242 HG1 THR 32 HG1 THR 32 -0.672 7.272 -2.246 243 1HG2 THR 32 3HG23 THR 32 -0.287 10.588 -0.965 244 2HG2 THR 32 2HG22 THR 32 -1.005 9.506 0.240 245 3HG2 THR 32 1HG21 THR 32 0.677 10.012 0.420 246 H ALA 33 HN ALA 33 1.863 11.298 -2.287 247 HA ALA 33 HA ALA 33 4.500 11.511 -1.066 248 1HB ALA 33 3HB ALA 33 2.507 13.573 -2.075 249 2HB ALA 33 2HB ALA 33 4.127 13.944 -1.442 250 3HB ALA 33 1HB ALA 33 3.958 12.969 -2.904 251 H THR 34 HN THR 34 3.674 10.367 0.896 252 HA THR 34 HA THR 34 2.147 10.902 2.953 253 HB THR 34 HB THR 34 5.207 10.754 2.968 254 HG1 THR 34 HG1 THR 34 4.501 8.463 3.326 255 1HG2 THR 34 1HG21 THR 34 3.251 10.068 5.195 256 2HG2 THR 34 2HG22 THR 34 4.982 9.655 5.164 257 3HG2 THR 34 3HG23 THR 34 4.496 11.347 5.215 258 H TRP 35 HN TRP 35 4.881 13.037 2.163 259 HA TRP 35 HA TRP 35 4.875 14.696 4.400 260 1HB TRP 35 1HB TRP 35 6.396 14.425 2.262 261 2HB TRP 35 2HB TRP 35 5.497 15.802 1.649 262 HD1 TRP 35 HD1 TRP 35 8.289 14.630 3.705 263 HE1 TRP 35 HE1 TRP 35 9.510 16.604 4.920 264 HE3 TRP 35 HE3 TRP 35 4.912 18.383 2.824 265 HZ2 TRP 35 HZ2 TRP 35 9.054 19.382 5.410 266 HZ3 TRP 35 HZ3 TRP 35 5.333 20.670 3.669 267 HH2 TRP 35 HH2 TRP 35 7.391 21.180 4.960 268 H CYS 36 HN CYS 36 2.739 15.011 1.498 269 HA CYS 36 HA CYS 36 2.133 17.800 2.189 270 1HB CYS 36 1HB CYS 36 0.599 17.759 0.295 271 2HB CYS 36 2HB CYS 36 2.267 17.369 -0.055 272 H GLY 37 HN GLY 37 1.561 16.994 4.399 273 1HA GLY 37 1HA GLY 37 -0.012 16.244 5.990 274 2HA GLY 37 2HA GLY 37 -0.539 17.856 5.526 275 HA PRO 38 HA PRO 38 -4.646 16.440 4.679 276 1HB PRO 38 2HB PRO 38 -4.187 17.567 1.894 277 2HB PRO 38 1HB PRO 38 -5.666 17.673 2.896 278 1HG PRO 38 1HG PRO 38 -3.949 19.762 2.854 279 2HG PRO 38 2HG PRO 38 -4.583 19.188 4.425 280 1HD PRO 38 2HD PRO 38 -1.879 18.653 3.196 281 2HD PRO 38 1HD PRO 38 -2.314 19.017 4.892 282 H CYS 39 HN CYS 39 -2.358 15.834 2.036 283 HA CYS 39 HA CYS 39 -3.526 13.786 0.574 284 1HB CYS 39 2HB CYS 39 -0.622 14.091 1.456 285 2HB CYS 39 1HB CYS 39 -1.178 13.045 0.157 286 H LYS 40 HN LYS 40 -1.936 13.599 3.757 287 HA LYS 40 HA LYS 40 -1.481 10.844 3.980 288 1HB LYS 40 2HB LYS 40 -2.338 12.871 6.089 289 2HB LYS 40 1HB LYS 40 -1.748 11.250 6.445 290 1HG LYS 40 2HG LYS 40 0.425 11.720 5.458 291 2HG LYS 40 1HG LYS 40 -0.091 13.339 4.965 292 1HD LYS 40 1HD LYS 40 -0.569 13.906 7.352 293 2HD LYS 40 2HD LYS 40 0.047 12.322 7.845 294 1HE LYS 40 2HE LYS 40 1.646 14.510 6.423 295 2HE LYS 40 1HE LYS 40 1.730 14.111 8.149 296 1HZ LYS 40 1HZ LYS 40 2.474 11.898 7.476 297 2HZ LYS 40 3HZ LYS 40 2.489 12.406 5.898 298 3HZ LYS 40 2HZ LYS 40 3.501 13.099 6.995 299 H MET 41 HN MET 41 -4.549 12.613 4.190 300 HA MET 41 HA MET 41 -6.078 10.772 5.670 301 1HB MET 41 1HB MET 41 -7.973 11.934 4.883 302 2HB MET 41 2HB MET 41 -6.679 13.117 4.970 303 1HG MET 41 1HG MET 41 -7.715 13.636 2.963 304 2HG MET 41 2HG MET 41 -6.337 12.682 2.432 305 1HE MET 41 3HE MET 41 -10.130 12.670 3.231 306 2HE MET 41 1HE MET 41 -10.725 11.249 2.343 307 3HE MET 41 2HE MET 41 -9.790 11.024 3.833 308 H ILE 42 HN ILE 42 -4.904 10.469 2.382 309 HA ILE 42 HA ILE 42 -6.879 8.557 1.489 310 HB ILE 42 HB ILE 42 -4.031 9.159 0.581 311 1HG1 ILE 42 1HG11 ILE 42 -6.647 10.109 -0.671 312 2HG1 ILE 42 2HG12 ILE 42 -5.756 11.084 0.499 313 1HG2 ILE 42 3HG23 ILE 42 -6.312 7.644 -0.790 314 2HG2 ILE 42 1HG21 ILE 42 -4.788 8.101 -1.571 315 3HG2 ILE 42 2HG22 ILE 42 -4.774 6.952 -0.237 316 1HD1 ILE 42 1HD11 ILE 42 -3.752 11.066 -0.929 317 2HD1 ILE 42 2HD12 ILE 42 -4.664 10.201 -2.180 318 3HD1 ILE 42 3HD13 ILE 42 -5.162 11.825 -1.692 319 H ALA 43 HN ALA 43 -3.801 8.365 3.279 320 HA ALA 43 HA ALA 43 -3.222 5.651 2.777 321 1HB ALA 43 3HB ALA 43 -1.602 7.300 3.636 322 2HB ALA 43 1HB ALA 43 -2.443 7.367 5.191 323 3HB ALA 43 2HB ALA 43 -1.675 5.859 4.676 324 HA PRO 44 HA PRO 44 -5.232 4.450 7.006 325 1HB PRO 44 1HB PRO 44 -7.290 5.932 8.029 326 2HB PRO 44 2HB PRO 44 -5.576 6.230 8.445 327 1HG PRO 44 2HG PRO 44 -7.197 7.594 6.270 328 2HG PRO 44 1HG PRO 44 -6.290 8.386 7.579 329 1HD PRO 44 1HD PRO 44 -5.178 8.063 5.194 330 2HD PRO 44 2HD PRO 44 -4.178 7.682 6.623 331 H LEU 45 HN LEU 45 -7.022 6.066 4.407 332 HA LEU 45 HA LEU 45 -9.299 4.285 4.622 333 1HB LEU 45 1HB LEU 45 -8.429 6.546 2.900 334 2HB LEU 45 2HB LEU 45 -9.387 5.324 2.084 335 HG LEU 45 HG LEU 45 -10.107 6.552 4.822 336 1HD1 LEU 45 2HD22 LEU 45 -10.039 8.324 3.116 337 2HD1 LEU 45 3HD23 LEU 45 -11.232 7.414 2.150 338 3HD1 LEU 45 1HD21 LEU 45 -11.674 8.032 3.754 339 1HD2 LEU 45 1HD11 LEU 45 -11.798 5.013 2.777 340 2HD2 LEU 45 3HD13 LEU 45 -11.405 4.476 4.417 341 3HD2 LEU 45 2HD12 LEU 45 -12.471 5.850 4.187 342 H PHE 46 HN PHE 46 -6.432 4.503 2.508 343 HA PHE 46 HA PHE 46 -6.984 2.148 0.976 344 1HB PHE 46 2HB PHE 46 -5.281 3.674 0.326 345 2HB PHE 46 1HB PHE 46 -4.512 3.587 1.883 346 HD1 PHE 46 HD1 PHE 46 -5.585 1.179 -0.851 347 HD2 PHE 46 HD2 PHE 46 -2.380 2.440 1.744 348 HE1 PHE 46 HE1 PHE 46 -4.003 -0.217 -2.121 349 HE2 PHE 46 HE2 PHE 46 -0.799 1.020 0.465 350 HZ PHE 46 HZ PHE 46 -1.552 -0.138 -1.616 351 H GLU 47 HN GLU 47 -5.497 2.628 4.227 352 HA GLU 47 HA GLU 47 -5.197 -0.195 4.782 353 1HB GLU 47 1HB GLU 47 -5.375 2.240 6.599 354 2HB GLU 47 2HB GLU 47 -4.889 0.628 7.106 355 1HG GLU 47 1HG GLU 47 -2.890 0.675 5.779 356 2HG GLU 47 2HG GLU 47 -3.390 2.118 4.901 357 H THR 48 HN THR 48 -7.940 2.056 5.278 358 HA THR 48 HA THR 48 -9.533 0.350 6.871 359 HB THR 48 HB THR 48 -10.361 2.296 4.677 360 HG1 THR 48 HG1 THR 48 -9.145 3.028 6.617 361 1HG2 THR 48 2HG22 THR 48 -12.086 1.182 6.878 362 2HG2 THR 48 1HG21 THR 48 -12.479 2.528 5.787 363 3HG2 THR 48 3HG23 THR 48 -12.274 0.904 5.118 364 H LEU 49 HN LEU 49 -9.114 0.453 3.279 365 HA LEU 49 HA LEU 49 -10.852 -1.756 2.773 366 1HB LEU 49 1HB LEU 49 -8.534 -0.538 1.261 367 2HB LEU 49 2HB LEU 49 -9.317 -2.005 0.664 368 HG LEU 49 HG LEU 49 -10.741 0.603 1.206 369 1HD1 LEU 49 1HD21 LEU 49 -9.135 0.767 -0.670 370 2HD1 LEU 49 2HD22 LEU 49 -9.864 -0.670 -1.421 371 3HD1 LEU 49 3HD23 LEU 49 -10.805 0.828 -1.257 372 1HD2 LEU 49 2HD12 LEU 49 -11.703 -2.014 0.015 373 2HD2 LEU 49 1HD11 LEU 49 -12.393 -1.116 1.381 374 3HD2 LEU 49 3HD13 LEU 49 -12.536 -0.468 -0.248 375 H SER 50 HN SER 50 -7.738 -1.861 4.368 376 HA SER 50 HA SER 50 -7.020 -4.551 3.640 377 1HB SER 50 2HB SER 50 -5.682 -4.603 5.585 378 2HB SER 50 1HB SER 50 -5.709 -2.879 5.156 379 HG SER 50 HG SER 50 -7.046 -2.463 6.790 380 H ASN 51 HN ASN 51 -9.284 -3.049 5.883 381 HA ASN 51 HA ASN 51 -9.739 -5.348 7.401 382 1HB ASN 51 2HB ASN 51 -10.436 -3.111 8.188 383 2HB ASN 51 1HB ASN 51 -11.662 -3.010 6.910 384 1HD2 ASN 51 1HD21 ASN 51 -14.042 -4.937 8.672 385 2HD2 ASN 51 2HD22 ASN 51 -13.686 -3.969 7.252 386 H ASP 52 HN ASP 52 -11.511 -3.870 4.675 387 HA ASP 52 HA ASP 52 -13.489 -5.783 4.183 388 1HB ASP 52 2HB ASP 52 -11.884 -4.144 2.137 389 2HB ASP 52 1HB ASP 52 -13.414 -4.970 1.847 390 H TYR 53 HN TYR 53 -10.191 -5.541 2.659 391 HA TYR 53 HA TYR 53 -10.525 -8.258 1.560 392 1HB TYR 53 1HB TYR 53 -8.454 -6.067 1.180 393 2HB TYR 53 2HB TYR 53 -8.475 -7.639 0.370 394 HD1 TYR 53 HD2 TYR 53 -10.631 -8.325 -0.881 395 HD2 TYR 53 HD1 TYR 53 -9.731 -4.242 0.166 396 HE1 TYR 53 HE2 TYR 53 -12.183 -7.527 -2.640 397 HE2 TYR 53 HE1 TYR 53 -11.139 -3.462 -1.688 398 HH TYR 53 HH TYR 53 -12.228 -4.318 -3.813 399 H ALA 54 HN ALA 54 -10.652 -8.794 3.940 400 HA ALA 54 HA ALA 54 -8.171 -9.092 5.414 401 1HB ALA 54 2HB ALA 54 -10.859 -10.496 5.692 402 2HB ALA 54 3HB ALA 54 -9.529 -10.556 6.870 403 3HB ALA 54 1HB ALA 54 -10.349 -9.020 6.537 404 H GLY 55 HN GLY 55 -7.064 -9.884 3.286 405 1HA GLY 55 1HA GLY 55 -6.722 -12.792 3.507 406 2HA GLY 55 2HA GLY 55 -7.466 -12.229 1.995 407 H LYS 56 HN LYS 56 -5.518 -13.249 1.100 408 HA LYS 56 HA LYS 56 -2.880 -12.135 1.545 409 1HB LYS 56 1HB LYS 56 -3.991 -14.186 -0.419 410 2HB LYS 56 2HB LYS 56 -2.279 -13.765 -0.221 411 1HG LYS 56 1HG LYS 56 -2.354 -14.456 2.143 412 2HG LYS 56 2HG LYS 56 -4.051 -14.947 1.963 413 1HD LYS 56 2HD LYS 56 -3.402 -16.551 0.177 414 2HD LYS 56 1HD LYS 56 -1.702 -16.095 0.374 415 1HE LYS 56 1HE LYS 56 -3.470 -17.350 2.535 416 2HE LYS 56 2HE LYS 56 -2.273 -18.210 1.554 417 1HZ LYS 56 3HZ LYS 56 -0.580 -16.801 2.484 418 2HZ LYS 56 1HZ LYS 56 -1.691 -16.028 3.428 419 3HZ LYS 56 2HZ LYS 56 -1.382 -17.628 3.662 420 H VAL 57 HN VAL 57 -3.959 -10.004 1.049 421 HA VAL 57 HA VAL 57 -3.301 -9.257 -1.787 422 HB VAL 57 HB VAL 57 -4.765 -7.374 -1.600 423 1HG1 VAL 57 1HG21 VAL 57 -5.733 -9.589 -2.314 424 2HG1 VAL 57 3HG23 VAL 57 -6.337 -9.811 -0.662 425 3HG1 VAL 57 2HG22 VAL 57 -6.927 -8.461 -1.647 426 1HG2 VAL 57 2HG12 VAL 57 -5.514 -8.312 1.208 427 2HG2 VAL 57 1HG11 VAL 57 -4.650 -6.814 0.799 428 3HG2 VAL 57 3HG13 VAL 57 -6.314 -7.022 0.295 429 H ILE 58 HN ILE 58 -1.519 -7.773 -1.889 430 HA ILE 58 HA ILE 58 -0.339 -7.201 0.835 431 HB ILE 58 HB ILE 58 1.250 -7.193 -1.693 432 1HG1 ILE 58 1HG11 ILE 58 0.367 -9.401 -1.680 433 2HG1 ILE 58 2HG12 ILE 58 2.060 -9.423 -1.173 434 1HG2 ILE 58 2HG22 ILE 58 2.136 -6.078 0.328 435 2HG2 ILE 58 1HG21 ILE 58 1.950 -7.570 1.245 436 3HG2 ILE 58 3HG23 ILE 58 3.089 -7.501 -0.117 437 1HD1 ILE 58 1HD11 ILE 58 1.319 -9.705 1.208 438 2HD1 ILE 58 2HD12 ILE 58 -0.362 -9.776 0.626 439 3HD1 ILE 58 3HD13 ILE 58 0.798 -11.009 0.137 440 H PHE 59 HN PHE 59 -1.233 -5.161 1.336 441 HA PHE 59 HA PHE 59 -1.179 -3.075 -0.831 442 1HB PHE 59 2HB PHE 59 -2.340 -2.968 1.900 443 2HB PHE 59 1HB PHE 59 -2.214 -1.604 0.833 444 HD1 PHE 59 HD2 PHE 59 -3.216 -4.642 -0.979 445 HD2 PHE 59 HD1 PHE 59 -4.598 -1.328 1.418 446 HE1 PHE 59 HE2 PHE 59 -5.567 -5.240 -1.465 447 HE2 PHE 59 HE1 PHE 59 -6.913 -2.087 1.129 448 HZ PHE 59 HZ PHE 59 -7.424 -4.083 -0.262 449 H LEU 60 HN LEU 60 0.734 -2.054 -0.993 450 HA LEU 60 HA LEU 60 2.457 -1.582 1.422 451 1HB LEU 60 1HB LEU 60 3.064 -1.913 -1.531 452 2HB LEU 60 2HB LEU 60 4.278 -1.469 -0.311 453 HG LEU 60 HG LEU 60 2.705 -4.073 -0.461 454 1HD1 LEU 60 1HD21 LEU 60 4.354 -3.823 -2.280 455 2HD1 LEU 60 3HD23 LEU 60 5.627 -3.473 -1.091 456 3HD1 LEU 60 2HD22 LEU 60 4.857 -5.073 -1.133 457 1HD2 LEU 60 3HD13 LEU 60 4.983 -3.221 1.397 458 2HD2 LEU 60 2HD12 LEU 60 3.319 -3.633 1.883 459 3HD2 LEU 60 1HD11 LEU 60 4.381 -4.878 1.217 460 H LYS 61 HN LYS 61 1.730 0.536 2.070 461 HA LYS 61 HA LYS 61 1.665 2.605 -0.075 462 1HB LYS 61 2HB LYS 61 0.089 3.053 1.639 463 2HB LYS 61 1HB LYS 61 1.282 2.802 2.913 464 1HG LYS 61 2HG LYS 61 2.563 4.775 2.143 465 2HG LYS 61 1HG LYS 61 1.423 5.007 0.804 466 1HD LYS 61 2HD LYS 61 -0.282 5.744 2.256 467 2HD LYS 61 1HD LYS 61 0.447 4.969 3.674 468 1HE LYS 61 2HE LYS 61 0.786 7.404 3.811 469 2HE LYS 61 1HE LYS 61 2.328 6.559 3.666 470 1HZ LYS 61 2HZ LYS 61 2.273 7.066 1.302 471 2HZ LYS 61 1HZ LYS 61 0.902 7.960 1.530 472 3HZ LYS 61 3HZ LYS 61 2.320 8.404 2.250 473 H VAL 62 HN VAL 62 3.515 3.306 -0.905 474 HA VAL 62 HA VAL 62 6.038 2.906 0.622 475 HB VAL 62 HB VAL 62 5.527 3.624 -2.279 476 1HG1 VAL 62 1HG11 VAL 62 8.112 3.328 -0.678 477 2HG1 VAL 62 2HG12 VAL 62 8.064 3.342 -2.447 478 3HG1 VAL 62 3HG13 VAL 62 7.580 4.779 -1.548 479 1HG2 VAL 62 2HG22 VAL 62 5.136 1.235 -1.655 480 2HG2 VAL 62 1HG21 VAL 62 6.567 1.427 -2.685 481 3HG2 VAL 62 3HG23 VAL 62 6.758 1.171 -0.937 482 H ASP 63 HN ASP 63 6.720 4.589 1.828 483 HA ASP 63 HA ASP 63 5.607 7.256 1.575 484 1HB ASP 63 2HB ASP 63 8.073 6.232 3.037 485 2HB ASP 63 1HB ASP 63 7.448 7.879 3.155 486 H VAL 64 HN VAL 64 5.856 7.617 -0.640 487 HA VAL 64 HA VAL 64 7.947 7.705 -2.358 488 HB VAL 64 HB VAL 64 5.844 9.857 -1.854 489 1HG1 VAL 64 1HG21 VAL 64 7.616 9.529 -4.307 490 2HG1 VAL 64 2HG22 VAL 64 6.173 10.557 -4.216 491 3HG1 VAL 64 3HG23 VAL 64 7.570 10.929 -3.209 492 1HG2 VAL 64 3HG13 VAL 64 4.930 7.631 -2.439 493 2HG2 VAL 64 2HG12 VAL 64 4.658 8.805 -3.732 494 3HG2 VAL 64 1HG11 VAL 64 5.957 7.601 -3.887 495 H ASP 65 HN ASP 65 7.270 10.269 0.012 496 HA ASP 65 HA ASP 65 9.377 12.049 -0.558 497 1HB ASP 65 2HB ASP 65 8.076 11.491 2.115 498 2HB ASP 65 1HB ASP 65 8.954 12.954 1.628 499 H ALA 66 HN ALA 66 9.474 8.985 1.232 500 HA ALA 66 HA ALA 66 12.169 9.582 2.322 501 1HB ALA 66 2HB ALA 66 10.384 7.123 2.593 502 2HB ALA 66 3HB ALA 66 11.956 7.381 3.376 503 3HB ALA 66 1HB ALA 66 10.578 8.422 3.784 504 H VAL 67 HN VAL 67 10.684 6.848 0.439 505 HA VAL 67 HA VAL 67 13.381 6.427 -0.786 506 HB VAL 67 HB VAL 67 12.473 4.366 -1.659 507 1HG1 VAL 67 1HG11 VAL 67 13.842 4.518 0.391 508 2HG1 VAL 67 2HG12 VAL 67 12.359 4.619 1.361 509 3HG1 VAL 67 3HG13 VAL 67 12.715 3.165 0.400 510 1HG2 VAL 67 3HG23 VAL 67 10.039 4.902 -1.582 511 2HG2 VAL 67 2HG22 VAL 67 10.473 3.374 -0.795 512 3HG2 VAL 67 1HG21 VAL 67 10.101 4.805 0.193 513 H ALA 68 HN ALA 68 12.786 8.673 -1.630 514 HA ALA 68 HA ALA 68 11.174 9.078 -3.878 515 1HB ALA 68 1HB ALA 68 12.473 10.853 -2.759 516 2HB ALA 68 2HB ALA 68 13.990 10.148 -3.364 517 3HB ALA 68 3HB ALA 68 12.807 10.827 -4.502 518 H ALA 69 HN ALA 69 14.375 7.537 -3.677 519 HA ALA 69 HA ALA 69 14.906 7.203 -6.431 520 1HB ALA 69 1HB ALA 69 16.561 6.829 -4.641 521 2HB ALA 69 2HB ALA 69 15.650 5.408 -4.081 522 3HB ALA 69 3HB ALA 69 16.416 5.399 -5.683 523 H VAL 70 HN VAL 70 12.878 5.209 -4.217 524 HA VAL 70 HA VAL 70 12.620 2.997 -6.102 525 HB VAL 70 HB VAL 70 10.997 3.739 -3.636 526 1HG1 VAL 70 1HG21 VAL 70 11.025 1.165 -5.277 527 2HG1 VAL 70 3HG23 VAL 70 10.174 1.415 -3.737 528 3HG1 VAL 70 2HG22 VAL 70 9.671 2.303 -5.179 529 1HG2 VAL 70 1HG11 VAL 70 13.422 3.126 -3.248 530 2HG2 VAL 70 2HG12 VAL 70 12.274 1.945 -2.576 531 3HG2 VAL 70 3HG13 VAL 70 13.128 1.602 -4.097 532 H ALA 71 HN ALA 71 10.680 5.790 -5.055 533 HA ALA 71 HA ALA 71 8.454 5.436 -6.789 534 1HB ALA 71 3HB ALA 71 8.571 7.112 -4.960 535 2HB ALA 71 2HB ALA 71 9.721 8.075 -5.908 536 3HB ALA 71 1HB ALA 71 8.069 7.843 -6.492 537 H GLU 72 HN GLU 72 11.502 7.276 -7.372 538 HA GLU 72 HA GLU 72 11.105 7.977 -10.015 539 1HB GLU 72 1HB GLU 72 13.236 8.082 -8.144 540 2HB GLU 72 2HB GLU 72 13.899 7.119 -9.462 541 1HG GLU 72 1HG GLU 72 13.195 8.890 -11.056 542 2HG GLU 72 2HG GLU 72 12.535 9.814 -9.675 543 H ALA 73 HN ALA 73 12.777 5.010 -8.822 544 HA ALA 73 HA ALA 73 13.272 3.862 -11.328 545 1HB ALA 73 2HB ALA 73 14.260 3.069 -9.197 546 2HB ALA 73 3HB ALA 73 12.673 2.461 -8.674 547 3HB ALA 73 1HB ALA 73 13.486 1.734 -10.075 548 H ALA 74 HN ALA 74 10.375 3.585 -9.243 549 HA ALA 74 HA ALA 74 8.969 1.750 -10.986 550 1HB ALA 74 2HB ALA 74 8.092 3.541 -8.688 551 2HB ALA 74 1HB ALA 74 7.041 2.353 -9.499 552 3HB ALA 74 3HB ALA 74 8.491 1.820 -8.630 553 H GLY 75 HN GLY 75 9.715 5.075 -11.412 554 1HA GLY 75 1HA GLY 75 9.200 6.372 -13.217 555 2HA GLY 75 2HA GLY 75 7.969 5.204 -13.726 556 H ILE 76 HN ILE 76 8.031 6.659 -10.459 557 HA ILE 76 HA ILE 76 5.342 7.775 -10.934 558 HB ILE 76 HB ILE 76 7.164 7.478 -8.549 559 1HG1 ILE 76 2HG12 ILE 76 5.274 6.322 -7.622 560 2HG1 ILE 76 1HG11 ILE 76 4.206 6.837 -8.936 561 1HG2 ILE 76 1HG21 ILE 76 4.696 9.247 -8.683 562 2HG2 ILE 76 2HG22 ILE 76 5.432 8.663 -7.180 563 3HG2 ILE 76 3HG23 ILE 76 6.339 9.750 -8.228 564 1HD1 ILE 76 3HD13 ILE 76 6.604 5.025 -9.324 565 2HD1 ILE 76 1HD11 ILE 76 4.954 4.447 -9.041 566 3HD1 ILE 76 2HD12 ILE 76 5.315 5.366 -10.505 567 H THR 77 HN THR 77 5.095 9.679 -11.918 568 HA THR 77 HA THR 77 7.192 11.786 -11.779 569 HB THR 77 HB THR 77 5.753 12.693 -13.686 570 HG1 THR 77 HG1 THR 77 4.417 10.991 -14.644 571 1HG2 THR 77 3HG23 THR 77 7.859 11.423 -14.097 572 2HG2 THR 77 2HG22 THR 77 6.941 9.903 -14.096 573 3HG2 THR 77 1HG21 THR 77 6.652 11.116 -15.359 574 H ALA 78 HN ALA 78 3.690 11.590 -12.095 575 HA ALA 78 HA ALA 78 3.232 13.618 -9.962 576 1HB ALA 78 3HB ALA 78 2.002 13.859 -12.098 577 2HB ALA 78 2HB ALA 78 1.310 12.233 -11.889 578 3HB ALA 78 1HB ALA 78 0.893 13.531 -10.750 579 H MET 79 HN MET 79 1.751 13.083 -8.203 580 HA MET 79 HA MET 79 1.069 10.321 -7.725 581 1HB MET 79 1HB MET 79 2.333 10.053 -5.692 582 2HB MET 79 2HB MET 79 3.441 10.566 -6.932 583 1HG MET 79 2HG MET 79 2.289 12.251 -4.686 584 2HG MET 79 1HG MET 79 3.919 11.623 -4.825 585 1HE MET 79 1HE MET 79 4.922 12.230 -7.671 586 2HE MET 79 2HE MET 79 5.609 13.854 -7.467 587 3HE MET 79 3HE MET 79 5.842 12.628 -6.201 588 HA PRO 80 HA PRO 80 0.352 9.627 -5.040 589 1HB PRO 80 2HB PRO 80 -2.072 8.624 -4.465 590 2HB PRO 80 1HB PRO 80 -1.320 9.927 -3.493 591 1HG PRO 80 1HG PRO 80 -3.284 10.317 -5.749 592 2HG PRO 80 2HG PRO 80 -3.428 10.868 -4.055 593 1HD PRO 80 1HD PRO 80 -2.371 12.491 -6.008 594 2HD PRO 80 2HD PRO 80 -1.611 12.449 -4.394 595 H THR 81 HN THR 81 0.572 7.678 -6.040 596 HA THR 81 HA THR 81 -0.991 7.088 -8.511 597 HB THR 81 HB THR 81 2.020 7.177 -8.173 598 HG1 THR 81 HG1 THR 81 1.781 8.875 -9.481 599 1HG2 THR 81 3HG23 THR 81 0.370 5.926 -10.415 600 2HG2 THR 81 1HG21 THR 81 2.106 6.289 -10.513 601 3HG2 THR 81 2HG22 THR 81 1.523 5.093 -9.343 602 H PHE 82 HN PHE 82 -1.820 5.135 -8.384 603 HA PHE 82 HA PHE 82 -0.894 3.218 -6.298 604 1HB PHE 82 2HB PHE 82 -3.578 3.711 -7.601 605 2HB PHE 82 1HB PHE 82 -3.233 2.274 -6.664 606 HD1 PHE 82 HD2 PHE 82 -3.552 5.999 -6.521 607 HD2 PHE 82 HD1 PHE 82 -3.109 2.380 -4.204 608 HE1 PHE 82 HE2 PHE 82 -3.977 7.266 -4.448 609 HE2 PHE 82 HE1 PHE 82 -3.692 3.645 -2.147 610 HZ PHE 82 HZ PHE 82 -3.877 6.129 -2.243 611 H HIS 83 HN HIS 83 0.223 1.523 -7.132 612 HA HIS 83 HA HIS 83 -0.256 0.662 -9.977 613 1HB HIS 83 1HB HIS 83 2.084 0.375 -8.091 614 2HB HIS 83 2HB HIS 83 1.923 -0.541 -9.603 615 HD2 HIS 83 HD2 HIS 83 0.866 2.908 -10.548 616 HE1 HIS 83 HE1 HIS 83 5.066 2.768 -11.022 617 HE2 HIS 83 HE2 HIS 83 2.951 4.056 -11.641 618 H VAL 84 HN VAL 84 -0.530 -1.635 -10.301 619 HA VAL 84 HA VAL 84 -0.880 -3.253 -7.809 620 HB VAL 84 HB VAL 84 -2.521 -3.660 -10.331 621 1HG1 VAL 84 2HG22 VAL 84 -2.602 -4.743 -7.474 622 2HG1 VAL 84 3HG23 VAL 84 -3.859 -5.030 -8.677 623 3HG1 VAL 84 1HG21 VAL 84 -2.225 -5.650 -8.954 624 1HG2 VAL 84 1HG11 VAL 84 -3.303 -2.192 -7.780 625 2HG2 VAL 84 2HG12 VAL 84 -3.239 -1.508 -9.423 626 3HG2 VAL 84 3HG13 VAL 84 -4.435 -2.745 -9.028 627 H TYR 85 HN TYR 85 0.709 -4.726 -7.772 628 HA TYR 85 HA TYR 85 1.918 -5.616 -10.342 629 1HB TYR 85 1HB TYR 85 3.054 -5.562 -7.530 630 2HB TYR 85 2HB TYR 85 3.824 -6.323 -8.907 631 HD1 TYR 85 HD1 TYR 85 2.609 -3.037 -7.575 632 HD2 TYR 85 HD2 TYR 85 5.361 -5.071 -10.194 633 HE1 TYR 85 HE1 TYR 85 3.861 -0.924 -7.945 634 HE2 TYR 85 HE2 TYR 85 6.485 -2.918 -10.682 635 HH TYR 85 HH TYR 85 5.091 0.172 -9.687 636 H LYS 86 HN LYS 86 1.680 -7.691 -10.920 637 HA LYS 86 HA LYS 86 0.472 -9.658 -9.008 638 1HB LYS 86 2HB LYS 86 0.655 -9.584 -12.045 639 2HB LYS 86 1HB LYS 86 0.299 -11.060 -11.125 640 1HG LYS 86 1HG LYS 86 -1.595 -9.967 -10.016 641 2HG LYS 86 2HG LYS 86 -1.310 -8.474 -10.927 642 1HD LYS 86 1HD LYS 86 -1.745 -9.646 -13.052 643 2HD LYS 86 2HD LYS 86 -1.935 -11.189 -12.204 644 1HE LYS 86 1HE LYS 86 -3.716 -8.738 -11.775 645 2HE LYS 86 2HE LYS 86 -4.119 -10.128 -12.796 646 1HZ LYS 86 1HZ LYS 86 -3.971 -11.526 -10.873 647 2HZ LYS 86 2HZ LYS 86 -3.620 -10.241 -9.905 648 3HZ LYS 86 3HZ LYS 86 -5.085 -10.340 -10.624 649 H ASP 87 HN ASP 87 1.862 -11.042 -8.120 650 HA ASP 87 HA ASP 87 3.687 -12.113 -7.445 651 1HB ASP 87 1HB ASP 87 3.520 -13.135 -9.744 652 2HB ASP 87 2HB ASP 87 4.720 -11.979 -10.314 653 H GLY 88 HN GLY 88 4.850 -9.910 -9.834 654 1HA GLY 88 1HA GLY 88 5.978 -7.925 -8.143 655 2HA GLY 88 2HA GLY 88 7.273 -9.038 -8.638 656 H VAL 89 HN VAL 89 4.508 -8.486 -10.811 657 HA VAL 89 HA VAL 89 6.177 -6.777 -12.595 658 HB VAL 89 HB VAL 89 4.284 -9.056 -13.327 659 1HG1 VAL 89 2HG22 VAL 89 5.992 -7.221 -15.071 660 2HG1 VAL 89 1HG21 VAL 89 5.081 -8.634 -15.642 661 3HG1 VAL 89 3HG23 VAL 89 4.216 -7.237 -14.996 662 1HG2 VAL 89 2HG12 VAL 89 7.322 -8.836 -13.530 663 2HG2 VAL 89 1HG11 VAL 89 6.416 -9.945 -12.479 664 3HG2 VAL 89 3HG13 VAL 89 6.340 -10.137 -14.233 665 H LYS 90 HN LYS 90 5.150 -4.909 -13.113 666 HA LYS 90 HA LYS 90 2.757 -4.135 -11.820 667 1HB LYS 90 1HB LYS 90 4.607 -2.656 -12.562 668 2HB LYS 90 2HB LYS 90 4.079 -2.845 -14.241 669 1HG LYS 90 2HG LYS 90 2.024 -1.673 -13.823 670 2HG LYS 90 1HG LYS 90 2.128 -1.934 -12.085 671 1HD LYS 90 2HD LYS 90 2.656 0.360 -12.499 672 2HD LYS 90 1HD LYS 90 4.100 -0.462 -11.921 673 1HE LYS 90 1HE LYS 90 4.677 1.069 -13.717 674 2HE LYS 90 2HE LYS 90 4.968 -0.591 -14.259 675 1HZ LYS 90 2HZ LYS 90 2.578 1.013 -14.858 676 2HZ LYS 90 3HZ LYS 90 3.838 0.762 -15.898 677 3HZ LYS 90 1HZ LYS 90 2.885 -0.500 -15.426 678 H ALA 91 HN ALA 91 0.806 -4.924 -12.240 679 HA ALA 91 HA ALA 91 0.058 -5.913 -14.922 680 1HB ALA 91 1HB ALA 91 -0.340 -7.335 -12.945 681 2HB ALA 91 3HB ALA 91 -1.353 -6.063 -12.222 682 3HB ALA 91 2HB ALA 91 -1.867 -6.863 -13.722 683 H ASP 92 HN ASP 92 -0.695 -3.317 -12.603 684 HA ASP 92 HA ASP 92 -2.146 -1.886 -14.714 685 1HB ASP 92 2HB ASP 92 -3.772 -3.518 -13.635 686 2HB ASP 92 1HB ASP 92 -3.567 -2.633 -12.113 687 H ASP 93 HN ASP 93 -2.977 0.256 -13.871 688 HA ASP 93 HA ASP 93 -1.409 1.413 -11.655 689 1HB ASP 93 1HB ASP 93 -1.399 2.587 -14.455 690 2HB ASP 93 2HB ASP 93 -0.659 3.293 -13.030 691 H LEU 94 HN LEU 94 -2.196 3.504 -11.090 692 HA LEU 94 HA LEU 94 -4.456 4.768 -12.419 693 1HB LEU 94 2HB LEU 94 -5.696 3.187 -11.113 694 2HB LEU 94 1HB LEU 94 -4.731 3.468 -9.665 695 HG LEU 94 HG LEU 94 -6.169 5.839 -10.851 696 1HD1 LEU 94 1HD21 LEU 94 -7.875 4.064 -10.972 697 2HD1 LEU 94 3HD23 LEU 94 -7.648 3.742 -9.235 698 3HD1 LEU 94 2HD22 LEU 94 -8.257 5.315 -9.775 699 1HD2 LEU 94 1HD11 LEU 94 -4.789 6.051 -8.722 700 2HD2 LEU 94 2HD12 LEU 94 -6.494 6.433 -8.485 701 3HD2 LEU 94 3HD13 LEU 94 -5.858 4.863 -7.965 702 H VAL 95 HN VAL 95 -4.499 7.018 -11.793 703 HA VAL 95 HA VAL 95 -2.414 7.900 -9.897 704 HB VAL 95 HB VAL 95 -3.420 9.418 -12.296 705 1HG1 VAL 95 3HG13 VAL 95 -1.072 9.856 -10.425 706 2HG1 VAL 95 1HG11 VAL 95 -1.388 10.800 -11.896 707 3HG1 VAL 95 2HG12 VAL 95 -2.540 10.854 -10.558 708 1HG2 VAL 95 1HG21 VAL 95 -0.831 7.804 -12.023 709 2HG2 VAL 95 3HG23 VAL 95 -2.145 7.469 -13.172 710 3HG2 VAL 95 2HG22 VAL 95 -1.177 8.934 -13.349 711 H GLY 96 HN GLY 96 -3.140 9.614 -8.542 712 1HA GLY 96 1HA GLY 96 -4.719 11.120 -7.686 713 2HA GLY 96 2HA GLY 96 -5.997 10.443 -8.712 714 H ALA 97 HN ALA 97 -7.350 10.128 -6.738 715 HA ALA 97 HA ALA 97 -6.855 7.523 -5.502 716 1HB ALA 97 2HB ALA 97 -7.083 10.078 -3.838 717 2HB ALA 97 1HB ALA 97 -7.113 8.416 -3.203 718 3HB ALA 97 3HB ALA 97 -5.645 9.043 -3.980 719 H SER 98 HN SER 98 -8.794 6.554 -5.030 720 HA SER 98 HA SER 98 -11.310 7.945 -4.698 721 1HB SER 98 2HB SER 98 -10.652 6.540 -7.319 722 2HB SER 98 1HB SER 98 -12.315 6.743 -6.744 723 HG SER 98 HG SER 98 -10.670 9.005 -6.814 724 H GLN 99 HN GLN 99 -11.871 6.730 -2.978 725 HA GLN 99 HA GLN 99 -10.892 4.238 -2.222 726 1HB GLN 99 2HB GLN 99 -13.484 5.692 -1.554 727 2HB GLN 99 1HB GLN 99 -13.026 4.159 -0.806 728 1HG GLN 99 2HG GLN 99 -12.396 5.986 0.632 729 2HG GLN 99 1HG GLN 99 -10.966 5.103 0.075 730 1HE2 GLN 99 1HE21 GLN 99 -9.563 8.304 -0.593 731 2HE2 GLN 99 2HE22 GLN 99 -9.445 6.825 0.346 732 H ASP 100 HN ASP 100 -13.940 4.887 -4.004 733 HA ASP 100 HA ASP 100 -14.845 2.179 -4.114 734 1HB ASP 100 2HB ASP 100 -16.296 2.954 -5.896 735 2HB ASP 100 1HB ASP 100 -16.263 4.176 -4.620 736 H LYS 101 HN LYS 101 -12.759 4.137 -6.257 737 HA LYS 101 HA LYS 101 -12.511 2.114 -8.256 738 1HB LYS 101 1HB LYS 101 -12.027 4.712 -8.326 739 2HB LYS 101 2HB LYS 101 -10.421 4.249 -7.763 740 1HG LYS 101 2HG LYS 101 -10.463 4.499 -10.183 741 2HG LYS 101 1HG LYS 101 -10.098 2.830 -9.742 742 1HD LYS 101 2HD LYS 101 -11.648 3.112 -11.701 743 2HD LYS 101 1HD LYS 101 -12.272 2.069 -10.436 744 1HE LYS 101 1HE LYS 101 -14.012 3.573 -11.331 745 2HE LYS 101 2HE LYS 101 -13.750 3.875 -9.613 746 1HZ LYS 101 1HZ LYS 101 -12.636 5.458 -11.829 747 2HZ LYS 101 3HZ LYS 101 -13.900 5.891 -10.861 748 3HZ LYS 101 2HZ LYS 101 -12.388 5.751 -10.225 749 H LEU 102 HN LEU 102 -10.595 2.943 -5.353 750 HA LEU 102 HA LEU 102 -8.522 1.006 -5.811 751 1HB LEU 102 1HB LEU 102 -9.630 2.287 -3.283 752 2HB LEU 102 2HB LEU 102 -8.286 1.143 -3.250 753 HG LEU 102 HG LEU 102 -8.214 3.621 -5.009 754 1HD1 LEU 102 1HD11 LEU 102 -7.224 3.330 -2.139 755 2HD1 LEU 102 3HD13 LEU 102 -6.871 4.693 -3.223 756 3HD1 LEU 102 2HD12 LEU 102 -8.536 4.390 -2.700 757 1HD2 LEU 102 2HD22 LEU 102 -6.548 1.741 -5.462 758 2HD2 LEU 102 1HD21 LEU 102 -5.835 3.264 -4.962 759 3HD2 LEU 102 3HD23 LEU 102 -5.975 1.925 -3.798 760 H LYS 103 HN LYS 103 -11.649 0.808 -4.043 761 HA LYS 103 HA LYS 103 -11.409 -1.859 -3.236 762 1HB LYS 103 2HB LYS 103 -13.212 -0.079 -2.728 763 2HB LYS 103 1HB LYS 103 -14.016 -0.602 -4.209 764 1HG LYS 103 1HG LYS 103 -14.184 -2.897 -3.342 765 2HG LYS 103 2HG LYS 103 -13.288 -2.433 -1.877 766 1HD LYS 103 2HD LYS 103 -15.074 -0.737 -1.369 767 2HD LYS 103 1HD LYS 103 -15.999 -1.359 -2.744 768 1HE LYS 103 2HE LYS 103 -15.135 -2.903 -0.236 769 2HE LYS 103 1HE LYS 103 -16.773 -2.356 -0.611 770 1HZ LYS 103 3HZ LYS 103 -16.743 -3.809 -2.523 771 2HZ LYS 103 1HZ LYS 103 -15.231 -4.339 -2.133 772 3HZ LYS 103 2HZ LYS 103 -16.495 -4.646 -1.125 773 H ALA 104 HN ALA 104 -12.777 -0.503 -6.231 774 HA ALA 104 HA ALA 104 -13.359 -2.903 -7.583 775 1HB ALA 104 2HB ALA 104 -14.110 -0.654 -8.309 776 2HB ALA 104 1HB ALA 104 -12.450 -0.264 -8.809 777 3HB ALA 104 3HB ALA 104 -13.336 -1.563 -9.623 778 H LEU 105 HN LEU 105 -10.257 -1.009 -7.622 779 HA LEU 105 HA LEU 105 -8.864 -2.644 -9.463 780 1HB LEU 105 2HB LEU 105 -8.012 -0.909 -7.125 781 2HB LEU 105 1HB LEU 105 -6.819 -1.867 -7.985 782 HG LEU 105 HG LEU 105 -8.638 0.011 -9.519 783 1HD1 LEU 105 1HD21 LEU 105 -6.038 0.660 -8.057 784 2HD1 LEU 105 3HD23 LEU 105 -6.717 1.651 -9.360 785 3HD1 LEU 105 2HD22 LEU 105 -7.621 1.447 -7.853 786 1HD2 LEU 105 2HD12 LEU 105 -7.223 -1.667 -10.763 787 2HD2 LEU 105 1HD11 LEU 105 -6.746 0.009 -11.092 788 3HD2 LEU 105 3HD13 LEU 105 -5.781 -0.977 -9.985 789 H VAL 106 HN VAL 106 -8.992 -2.846 -5.855 790 HA VAL 106 HA VAL 106 -7.352 -5.157 -5.681 791 HB VAL 106 HB VAL 106 -9.637 -4.325 -3.851 792 1HG1 VAL 106 3HG23 VAL 106 -7.283 -6.257 -3.524 793 2HG1 VAL 106 2HG22 VAL 106 -8.206 -5.635 -2.156 794 3HG1 VAL 106 1HG21 VAL 106 -9.007 -6.643 -3.373 795 1HG2 VAL 106 1HG11 VAL 106 -7.709 -2.619 -4.171 796 2HG2 VAL 106 3HG13 VAL 106 -8.055 -3.162 -2.524 797 3HG2 VAL 106 2HG12 VAL 106 -6.685 -3.844 -3.420 798 H ALA 107 HN ALA 107 -10.903 -4.889 -5.849 799 HA ALA 107 HA ALA 107 -11.536 -7.643 -5.787 800 1HB ALA 107 3HB ALA 107 -12.943 -5.425 -7.349 801 2HB ALA 107 2HB ALA 107 -13.621 -7.017 -6.961 802 3HB ALA 107 1HB ALA 107 -13.245 -5.877 -5.660 803 H LYS 108 HN LYS 108 -11.017 -5.595 -8.681 804 HA LYS 108 HA LYS 108 -11.233 -7.486 -10.718 805 1HB LYS 108 1HB LYS 108 -11.042 -5.117 -11.177 806 2HB LYS 108 2HB LYS 108 -9.549 -4.977 -10.315 807 1HG LYS 108 2HG LYS 108 -9.236 -4.740 -12.713 808 2HG LYS 108 1HG LYS 108 -8.254 -5.996 -11.983 809 1HD LYS 108 1HD LYS 108 -8.994 -6.710 -14.129 810 2HD LYS 108 2HD LYS 108 -9.701 -7.752 -12.921 811 1HE LYS 108 1HE LYS 108 -11.202 -5.385 -14.167 812 2HE LYS 108 2HE LYS 108 -11.155 -7.006 -14.889 813 1HZ LYS 108 3HZ LYS 108 -12.102 -7.914 -12.955 814 2HZ LYS 108 2HZ LYS 108 -12.215 -6.431 -12.231 815 3HZ LYS 108 1HZ LYS 108 -13.086 -6.757 -13.593 816 H HIS 109 HN HIS 109 -8.207 -6.326 -9.277 817 HA HIS 109 HA HIS 109 -6.679 -8.403 -10.575 818 1HB HIS 109 1HB HIS 109 -5.964 -6.451 -8.362 819 2HB HIS 109 2HB HIS 109 -4.800 -7.511 -9.196 820 HD2 HIS 109 HD2 HIS 109 -6.357 -4.067 -9.704 821 HE1 HIS 109 HE1 HIS 109 -5.288 -5.397 -13.560 822 HE2 HIS 109 HE2 HIS 109 -6.043 -3.371 -12.212 823 H ALA 110 HN ALA 110 -8.390 -8.464 -7.492 824 HA ALA 110 HA ALA 110 -7.003 -10.826 -6.511 825 1HB ALA 110 3HB ALA 110 -9.781 -9.736 -5.892 826 2HB ALA 110 2HB ALA 110 -8.944 -11.031 -5.015 827 3HB ALA 110 1HB ALA 110 -8.286 -9.386 -4.993 828 H ALA 111 HN ALA 111 -9.953 -10.196 -8.454 829 HA ALA 111 HA ALA 111 -10.339 -13.102 -8.947 830 1HB ALA 111 2HB ALA 111 -12.014 -10.643 -9.614 831 2HB ALA 111 1HB ALA 111 -12.450 -12.329 -9.990 832 3HB ALA 111 3HB ALA 111 -12.290 -11.802 -8.304 833 H ALA 112 HN ALA 112 -11.252 -10.841 -11.485 834 HA ALA 112 HA ALA 112 -8.954 -10.956 -13.082 835 1HB ALA 112 2HB ALA 112 -11.276 -12.815 -13.810 836 2HB ALA 112 3HB ALA 112 -9.937 -12.366 -14.886 837 3HB ALA 112 1HB ALA 112 -9.616 -13.335 -13.434 No H/Q in entry = 837 Start of MODEL 6 1 1H GLY 1 3HN GLY 1 -1.569 -6.207 8.651 2 2H GLY 1 1HN GLY 1 -0.956 -5.093 9.742 3 3H GLY 1 2HN GLY 1 -0.427 -5.151 8.164 4 1HA GLY 1 1HA GLY 1 1.248 -6.153 9.395 5 2HA GLY 1 2HA GLY 1 0.046 -7.209 10.174 6 H GLY 2 HN GLY 2 2.122 -8.482 8.875 7 1HA GLY 2 1HA GLY 2 2.566 -10.074 7.300 8 2HA GLY 2 2HA GLY 2 0.809 -10.232 7.103 9 H SER 3 HN SER 3 0.034 -9.724 5.080 10 HA SER 3 HA SER 3 1.800 -8.652 3.065 11 1HB SER 3 2HB SER 3 0.038 -9.199 1.594 12 2HB SER 3 1HB SER 3 0.095 -10.487 2.777 13 HG SER 3 HG SER 3 -1.988 -9.085 2.137 14 H VAL 4 HN VAL 4 -0.380 -7.231 5.349 15 HA VAL 4 HA VAL 4 -0.743 -4.757 3.731 16 HB VAL 4 HB VAL 4 -1.989 -5.774 6.334 17 1HG1 VAL 4 3HG23 VAL 4 -2.329 -3.131 4.888 18 2HG1 VAL 4 2HG22 VAL 4 -3.498 -3.767 6.080 19 3HG1 VAL 4 1HG21 VAL 4 -1.844 -3.403 6.564 20 1HG2 VAL 4 3HG13 VAL 4 -3.177 -5.471 3.551 21 2HG2 VAL 4 1HG11 VAL 4 -2.867 -6.978 4.418 22 3HG2 VAL 4 2HG12 VAL 4 -4.079 -5.855 5.034 23 H ILE 5 HN ILE 5 1.029 -3.421 3.879 24 HA ILE 5 HA ILE 5 1.962 -2.829 6.603 25 HB ILE 5 HB ILE 5 3.178 -4.873 4.939 26 1HG1 ILE 5 2HG12 ILE 5 3.990 -3.614 7.593 27 2HG1 ILE 5 1HG11 ILE 5 2.831 -4.937 7.335 28 1HG2 ILE 5 2HG22 ILE 5 4.488 -3.027 3.886 29 2HG2 ILE 5 3HG23 ILE 5 5.123 -2.629 5.512 30 3HG2 ILE 5 1HG21 ILE 5 5.465 -4.197 4.758 31 1HD1 ILE 5 2HD12 ILE 5 4.670 -6.335 6.385 32 2HD1 ILE 5 1HD11 ILE 5 5.827 -5.051 6.822 33 3HD1 ILE 5 3HD13 ILE 5 4.907 -5.883 8.081 34 H VAL 6 HN VAL 6 3.267 -1.089 6.840 35 HA VAL 6 HA VAL 6 3.202 0.926 4.684 36 HB VAL 6 HB VAL 6 3.732 1.211 7.679 37 1HG1 VAL 6 1HG21 VAL 6 3.359 3.308 5.495 38 2HG1 VAL 6 3HG23 VAL 6 3.514 3.644 7.232 39 3HG1 VAL 6 2HG22 VAL 6 4.873 2.940 6.344 40 1HG2 VAL 6 2HG12 VAL 6 1.354 0.647 7.288 41 2HG2 VAL 6 1HG11 VAL 6 1.548 2.318 7.828 42 3HG2 VAL 6 3HG13 VAL 6 1.227 1.978 6.120 43 H ILE 7 HN ILE 7 5.249 1.193 3.641 44 HA ILE 7 HA ILE 7 7.632 0.503 5.209 45 HB ILE 7 HB ILE 7 6.557 -1.631 4.064 46 1HG1 ILE 7 1HG11 ILE 7 8.810 -2.494 3.419 47 2HG1 ILE 7 2HG12 ILE 7 9.493 -0.905 3.814 48 1HG2 ILE 7 1HG21 ILE 7 6.216 -0.542 1.843 49 2HG2 ILE 7 2HG22 ILE 7 7.985 -0.493 1.629 50 3HG2 ILE 7 3HG23 ILE 7 7.153 -2.044 1.779 51 1HD1 ILE 7 3HD13 ILE 7 8.550 -1.192 6.171 52 2HD1 ILE 7 1HD11 ILE 7 7.946 -2.784 5.679 53 3HD1 ILE 7 2HD12 ILE 7 9.687 -2.461 5.733 54 H ASP 8 HN ASP 8 9.528 1.307 4.460 55 HA ASP 8 HA ASP 8 9.572 2.857 1.941 56 1HB ASP 8 1HB ASP 8 9.956 4.033 4.736 57 2HB ASP 8 2HB ASP 8 10.527 4.805 3.251 58 H SER 9 HN SER 9 10.758 0.550 2.064 59 HA SER 9 HA SER 9 13.561 1.297 1.882 60 1HB SER 9 1HB SER 9 12.821 -1.007 3.725 61 2HB SER 9 2HB SER 9 14.442 -0.431 3.300 62 HG SER 9 HG SER 9 13.283 1.679 4.240 63 H LYS 10 HN LYS 10 13.983 0.536 -0.101 64 HA LYS 10 HA LYS 10 12.570 -1.196 -1.666 65 1HB LYS 10 2HB LYS 10 14.634 -1.454 -2.946 66 2HB LYS 10 1HB LYS 10 14.212 0.217 -2.474 67 1HG LYS 10 2HG LYS 10 15.983 0.091 -0.679 68 2HG LYS 10 1HG LYS 10 16.397 -1.541 -1.255 69 1HD LYS 10 1HD LYS 10 16.936 -0.627 -3.486 70 2HD LYS 10 2HD LYS 10 16.522 1.008 -2.924 71 1HE LYS 10 2HE LYS 10 18.282 0.856 -1.180 72 2HE LYS 10 1HE LYS 10 18.691 -0.782 -1.732 73 1HZ LYS 10 2HZ LYS 10 18.914 1.669 -3.338 74 2HZ LYS 10 3HZ LYS 10 20.164 0.852 -2.640 75 3HZ LYS 10 1HZ LYS 10 19.293 0.148 -3.848 76 H ALA 11 HN ALA 11 15.103 -2.033 0.581 77 HA ALA 11 HA ALA 11 15.400 -4.813 -0.018 78 1HB ALA 11 1HB ALA 11 15.659 -3.415 2.687 79 2HB ALA 11 3HB ALA 11 16.285 -5.027 2.282 80 3HB ALA 11 2HB ALA 11 16.944 -3.592 1.471 81 H ALA 12 HN ALA 12 13.113 -3.124 2.155 82 HA ALA 12 HA ALA 12 11.892 -5.606 3.107 83 1HB ALA 12 1HB ALA 12 12.057 -3.671 4.584 84 2HB ALA 12 3HB ALA 12 11.100 -2.699 3.445 85 3HB ALA 12 2HB ALA 12 10.365 -4.106 4.265 86 H TRP 13 HN TRP 13 11.235 -3.062 0.687 87 HA TRP 13 HA TRP 13 8.655 -3.827 -0.189 88 1HB TRP 13 1HB TRP 13 9.802 -1.817 -1.046 89 2HB TRP 13 2HB TRP 13 11.082 -2.803 -1.688 90 HD1 TRP 13 HD1 TRP 13 10.630 -4.362 -3.798 91 HE1 TRP 13 HE1 TRP 13 9.195 -3.928 -5.886 92 HE3 TRP 13 HE3 TRP 13 7.857 -0.435 -2.066 93 HZ2 TRP 13 HZ2 TRP 13 7.224 -2.082 -6.723 94 HZ3 TRP 13 HZ3 TRP 13 6.480 0.850 -3.669 95 HH2 TRP 13 HH2 TRP 13 5.998 -0.060 -5.933 96 H ASP 14 HN ASP 14 11.886 -4.966 -1.283 97 HA ASP 14 HA ASP 14 11.018 -7.031 -2.998 98 1HB ASP 14 1HB ASP 14 13.331 -6.107 -2.810 99 2HB ASP 14 2HB ASP 14 13.555 -6.966 -1.294 100 H ALA 15 HN ALA 15 12.073 -7.216 0.379 101 HA ALA 15 HA ALA 15 11.617 -9.924 0.858 102 1HB ALA 15 2HB ALA 15 12.635 -8.319 2.492 103 2HB ALA 15 3HB ALA 15 11.002 -7.715 2.864 104 3HB ALA 15 1HB ALA 15 11.430 -9.396 3.220 105 H GLN 16 HN GLN 16 9.204 -7.314 1.176 106 HA GLN 16 HA GLN 16 7.023 -8.974 1.971 107 1HB GLN 16 2HB GLN 16 6.972 -6.510 2.182 108 2HB GLN 16 1HB GLN 16 6.895 -6.369 0.418 109 1HG GLN 16 1HG GLN 16 4.619 -6.209 1.245 110 2HG GLN 16 2HG GLN 16 4.747 -7.772 0.473 111 1HE2 GLN 16 2HE22 GLN 16 4.053 -7.478 4.490 112 2HE2 GLN 16 1HE21 GLN 16 4.773 -6.106 3.655 113 H LEU 17 HN LEU 17 8.050 -7.712 -1.251 114 HA LEU 17 HA LEU 17 6.071 -8.858 -2.819 115 1HB LEU 17 1HB LEU 17 7.891 -7.241 -3.508 116 2HB LEU 17 2HB LEU 17 9.030 -8.586 -3.554 117 HG LEU 17 HG LEU 17 7.697 -9.657 -5.352 118 1HD1 LEU 17 2HD12 LEU 17 5.937 -7.199 -4.956 119 2HD1 LEU 17 3HD13 LEU 17 5.970 -8.093 -6.479 120 3HD1 LEU 17 1HD11 LEU 17 5.456 -8.916 -5.002 121 1HD2 LEU 17 2HD22 LEU 17 9.553 -8.098 -5.885 122 2HD2 LEU 17 1HD21 LEU 17 8.270 -8.033 -7.107 123 3HD2 LEU 17 3HD23 LEU 17 8.404 -6.739 -5.896 124 H ALA 18 HN ALA 18 9.185 -10.333 -1.856 125 HA ALA 18 HA ALA 18 8.859 -12.857 -3.062 126 1HB ALA 18 2HB ALA 18 10.953 -12.025 -2.106 127 2HB ALA 18 3HB ALA 18 10.281 -12.136 -0.469 128 3HB ALA 18 1HB ALA 18 10.520 -13.610 -1.429 129 H LYS 19 HN LYS 19 8.148 -12.060 0.433 130 HA LYS 19 HA LYS 19 6.915 -14.633 0.833 131 1HB LYS 19 1HB LYS 19 6.177 -13.820 2.961 132 2HB LYS 19 2HB LYS 19 7.835 -13.279 2.661 133 1HG LYS 19 2HG LYS 19 6.980 -11.065 2.040 134 2HG LYS 19 1HG LYS 19 5.315 -11.576 2.275 135 1HD LYS 19 1HD LYS 19 5.996 -10.311 4.204 136 2HD LYS 19 2HD LYS 19 5.711 -11.990 4.660 137 1HE LYS 19 2HE LYS 19 7.712 -11.059 5.769 138 2HE LYS 19 1HE LYS 19 8.146 -12.420 4.732 139 1HZ LYS 19 1HZ LYS 19 8.412 -9.573 4.042 140 2HZ LYS 19 2HZ LYS 19 9.640 -10.584 4.476 141 3HZ LYS 19 3HZ LYS 19 8.828 -10.831 3.062 142 H GLY 20 HN GLY 20 5.716 -11.810 -0.773 143 1HA GLY 20 1HA GLY 20 2.951 -11.982 -0.346 144 2HA GLY 20 2HA GLY 20 3.781 -11.331 -1.772 145 H LYS 21 HN LYS 21 5.108 -14.095 -2.188 146 HA LYS 21 HA LYS 21 4.744 -16.002 -3.344 147 1HB LYS 21 1HB LYS 21 1.812 -16.104 -2.561 148 2HB LYS 21 2HB LYS 21 2.984 -17.404 -2.823 149 1HG LYS 21 2HG LYS 21 4.230 -16.422 -0.767 150 2HG LYS 21 1HG LYS 21 2.704 -15.552 -0.465 151 1HD LYS 21 1HD LYS 21 1.531 -17.823 -0.582 152 2HD LYS 21 2HD LYS 21 3.146 -18.550 -0.501 153 1HE LYS 21 2HE LYS 21 1.785 -16.737 1.548 154 2HE LYS 21 1HE LYS 21 2.274 -18.426 1.764 155 1HZ LYS 21 2HZ LYS 21 4.565 -17.672 1.542 156 2HZ LYS 21 3HZ LYS 21 4.053 -16.105 1.422 157 3HZ LYS 21 1HZ LYS 21 3.799 -16.951 2.812 158 H GLU 22 HN GLU 22 5.147 -14.506 -5.017 159 HA GLU 22 HA GLU 22 3.190 -13.207 -6.609 160 1HB GLU 22 2HB GLU 22 6.021 -13.970 -7.442 161 2HB GLU 22 1HB GLU 22 5.050 -12.605 -7.970 162 1HG GLU 22 2HG GLU 22 6.284 -11.438 -6.492 163 2HG GLU 22 1HG GLU 22 5.161 -12.052 -5.285 164 H GLU 23 HN GLU 23 2.168 -15.754 -6.555 165 HA GLU 23 HA GLU 23 2.874 -17.200 -9.025 166 1HB GLU 23 2HB GLU 23 0.469 -17.515 -7.155 167 2HB GLU 23 1HB GLU 23 0.813 -18.499 -8.576 168 1HG GLU 23 1HG GLU 23 1.643 -19.782 -6.813 169 2HG GLU 23 2HG GLU 23 3.091 -19.053 -7.515 170 H HIS 24 HN HIS 24 -0.042 -15.448 -7.924 171 HA HIS 24 HA HIS 24 -0.428 -14.172 -10.548 172 1HB HIS 24 1HB HIS 24 -2.672 -15.081 -10.834 173 2HB HIS 24 2HB HIS 24 -1.512 -16.409 -10.768 174 HD2 HIS 24 HD2 HIS 24 -4.413 -14.856 -8.625 175 HE1 HIS 24 HE1 HIS 24 -3.223 -18.468 -6.785 176 HE2 HIS 24 HE2 HIS 24 -4.945 -16.553 -6.734 177 H LYS 25 HN LYS 25 0.190 -13.263 -7.812 178 HA LYS 25 HA LYS 25 -2.459 -12.415 -6.766 179 1HB LYS 25 1HB LYS 25 0.194 -12.233 -5.336 180 2HB LYS 25 2HB LYS 25 -1.383 -11.949 -4.647 181 1HG LYS 25 1HG LYS 25 -0.479 -14.665 -5.710 182 2HG LYS 25 2HG LYS 25 -0.450 -14.144 -4.027 183 1HD LYS 25 1HD LYS 25 -2.917 -13.765 -4.088 184 2HD LYS 25 2HD LYS 25 -2.971 -14.388 -5.750 185 1HE LYS 25 1HE LYS 25 -2.109 -16.561 -5.003 186 2HE LYS 25 2HE LYS 25 -1.957 -15.962 -3.342 187 1HZ LYS 25 1HZ LYS 25 -4.512 -16.123 -4.805 188 2HZ LYS 25 2HZ LYS 25 -3.971 -17.230 -3.712 189 3HZ LYS 25 3HZ LYS 25 -4.299 -15.690 -3.243 190 HA PRO 26 HA PRO 26 -1.539 -8.109 -7.623 191 1HB PRO 26 1HB PRO 26 -3.466 -6.912 -6.132 192 2HB PRO 26 2HB PRO 26 -3.872 -7.906 -7.563 193 1HG PRO 26 1HG PRO 26 -3.646 -8.923 -4.695 194 2HG PRO 26 2HG PRO 26 -5.145 -8.948 -5.682 195 1HD PRO 26 1HD PRO 26 -3.494 -11.030 -5.490 196 2HD PRO 26 2HD PRO 26 -4.000 -10.564 -7.142 197 H ILE 27 HN ILE 27 0.054 -6.861 -6.900 198 HA ILE 27 HA ILE 27 0.315 -6.375 -3.974 199 HB ILE 27 HB ILE 27 2.455 -6.157 -6.145 200 1HG1 ILE 27 2HG12 ILE 27 3.429 -7.943 -4.325 201 2HG1 ILE 27 1HG11 ILE 27 1.717 -8.361 -4.252 202 1HG2 ILE 27 2HG22 ILE 27 2.587 -5.714 -3.141 203 2HG2 ILE 27 3HG23 ILE 27 3.963 -5.686 -4.262 204 3HG2 ILE 27 1HG21 ILE 27 2.702 -4.461 -4.389 205 1HD1 ILE 27 2HD12 ILE 27 3.392 -8.238 -6.790 206 2HD1 ILE 27 1HD11 ILE 27 2.941 -9.713 -5.910 207 3HD1 ILE 27 3HD13 ILE 27 1.689 -8.727 -6.683 208 H VAL 28 HN VAL 28 -0.989 -4.640 -3.674 209 HA VAL 28 HA VAL 28 -1.077 -2.555 -5.803 210 HB VAL 28 HB VAL 28 -3.291 -3.297 -5.155 211 1HG1 VAL 28 1HG21 VAL 28 -2.654 -2.559 -2.303 212 2HG1 VAL 28 3HG23 VAL 28 -4.244 -2.961 -2.976 213 3HG1 VAL 28 2HG22 VAL 28 -2.977 -4.182 -2.944 214 1HG2 VAL 28 3HG13 VAL 28 -2.913 -1.017 -5.847 215 2HG2 VAL 28 1HG11 VAL 28 -4.243 -1.144 -4.694 216 3HG2 VAL 28 2HG12 VAL 28 -2.656 -0.517 -4.172 217 H VAL 29 HN VAL 29 -0.023 -0.696 -5.461 218 HA VAL 29 HA VAL 29 1.088 -0.230 -2.727 219 HB VAL 29 HB VAL 29 2.896 -0.979 -4.113 220 1HG1 VAL 29 3HG13 VAL 29 1.992 -0.514 -6.339 221 2HG1 VAL 29 2HG12 VAL 29 2.177 1.236 -6.044 222 3HG1 VAL 29 1HG11 VAL 29 3.602 0.177 -6.116 223 1HG2 VAL 29 1HG21 VAL 29 2.971 2.059 -3.726 224 2HG2 VAL 29 3HG23 VAL 29 3.417 0.817 -2.538 225 3HG2 VAL 29 2HG22 VAL 29 4.354 1.018 -4.024 226 H ASP 30 HN ASP 30 0.818 1.634 -1.875 227 HA ASP 30 HA ASP 30 -0.686 3.789 -3.303 228 1HB ASP 30 1HB ASP 30 -1.903 2.867 -1.452 229 2HB ASP 30 2HB ASP 30 -0.496 2.930 -0.389 230 H PHE 31 HN PHE 31 0.903 5.058 -4.139 231 HA PHE 31 HA PHE 31 3.334 5.723 -2.532 232 1HB PHE 31 2HB PHE 31 2.586 6.122 -5.446 233 2HB PHE 31 1HB PHE 31 4.018 6.771 -4.698 234 HD1 PHE 31 HD1 PHE 31 5.774 5.201 -3.723 235 HD2 PHE 31 HD2 PHE 31 2.593 3.886 -6.323 236 HE1 PHE 31 HE1 PHE 31 7.303 3.558 -4.764 237 HE2 PHE 31 HE2 PHE 31 4.138 2.266 -7.381 238 HZ PHE 31 HZ PHE 31 6.518 2.187 -6.700 239 H THR 32 HN THR 32 2.559 7.268 -1.100 240 HA THR 32 HA THR 32 1.297 9.739 -2.221 241 HB THR 32 HB THR 32 0.592 8.198 0.311 242 HG1 THR 32 HG1 THR 32 -0.600 7.480 -1.383 243 1HG2 THR 32 2HG22 THR 32 -0.295 10.975 -0.562 244 2HG2 THR 32 1HG21 THR 32 -1.134 9.997 0.653 245 3HG2 THR 32 3HG23 THR 32 0.515 10.537 0.968 246 H ALA 33 HN ALA 33 1.803 11.633 -0.758 247 HA ALA 33 HA ALA 33 4.570 11.388 0.373 248 1HB ALA 33 3HB ALA 33 3.272 13.714 -1.112 249 2HB ALA 33 1HB ALA 33 4.861 13.717 -0.342 250 3HB ALA 33 2HB ALA 33 4.556 12.652 -1.719 251 H THR 34 HN THR 34 4.991 13.258 1.921 252 HA THR 34 HA THR 34 2.938 13.193 4.022 253 HB THR 34 HB THR 34 4.697 14.437 5.295 254 HG1 THR 34 HG1 THR 34 6.374 13.992 3.049 255 1HG2 THR 34 3HG23 THR 34 4.665 11.948 5.299 256 2HG2 THR 34 1HG21 THR 34 5.715 11.925 3.869 257 3HG2 THR 34 2HG22 THR 34 6.321 12.576 5.401 258 H TRP 35 HN TRP 35 4.866 15.749 2.580 259 HA TRP 35 HA TRP 35 3.586 18.015 3.337 260 1HB TRP 35 1HB TRP 35 4.550 19.053 1.283 261 2HB TRP 35 2HB TRP 35 5.671 18.063 2.209 262 HD1 TRP 35 HD1 TRP 35 6.796 15.988 1.004 263 HE1 TRP 35 HE1 TRP 35 6.790 15.090 -1.347 264 HE3 TRP 35 HE3 TRP 35 2.950 18.810 -0.933 265 HZ2 TRP 35 HZ2 TRP 35 5.344 15.532 -3.814 266 HZ3 TRP 35 HZ3 TRP 35 2.274 18.507 -3.293 267 HH2 TRP 35 HH2 TRP 35 3.461 16.884 -4.743 268 H CYS 36 HN CYS 36 2.232 15.824 0.891 269 HA CYS 36 HA CYS 36 0.343 17.825 -0.099 270 1HB CYS 36 2HB CYS 36 -0.662 15.985 -1.329 271 2HB CYS 36 1HB CYS 36 1.067 16.132 -1.591 272 H GLY 37 HN GLY 37 0.516 16.566 2.891 273 1HA GLY 37 1HA GLY 37 -0.914 16.067 4.577 274 2HA GLY 37 2HA GLY 37 -1.557 17.632 4.106 275 HA PRO 38 HA PRO 38 -5.637 15.981 3.575 276 1HB PRO 38 2HB PRO 38 -5.368 17.103 0.761 277 2HB PRO 38 1HB PRO 38 -6.821 17.105 1.808 278 1HG PRO 38 2HG PRO 38 -5.262 19.312 1.726 279 2HG PRO 38 1HG PRO 38 -5.801 18.688 3.313 280 1HD PRO 38 1HD PRO 38 -3.104 18.406 2.012 281 2HD PRO 38 2HD PRO 38 -3.522 18.652 3.728 282 H CYS 39 HN CYS 39 -3.349 15.327 0.942 283 HA CYS 39 HA CYS 39 -4.558 13.173 -0.380 284 1HB CYS 39 1HB CYS 39 -2.304 12.493 -0.971 285 2HB CYS 39 2HB CYS 39 -2.429 14.254 -1.014 286 H LYS 40 HN LYS 40 -2.985 13.202 2.812 287 HA LYS 40 HA LYS 40 -2.596 10.455 3.249 288 1HB LYS 40 2HB LYS 40 -3.330 12.731 5.153 289 2HB LYS 40 1HB LYS 40 -2.918 11.098 5.679 290 1HG LYS 40 2HG LYS 40 -0.698 11.317 4.490 291 2HG LYS 40 1HG LYS 40 -1.075 13.027 4.220 292 1HD LYS 40 2HD LYS 40 -1.434 13.265 6.729 293 2HD LYS 40 1HD LYS 40 -0.949 11.574 6.910 294 1HE LYS 40 1HE LYS 40 0.963 12.875 7.445 295 2HE LYS 40 2HE LYS 40 1.284 12.173 5.850 296 1HZ LYS 40 2HZ LYS 40 0.273 14.895 6.351 297 2HZ LYS 40 1HZ LYS 40 1.840 14.518 6.029 298 3HZ LYS 40 3HZ LYS 40 0.696 14.279 4.880 299 H MET 41 HN MET 41 -5.641 12.249 3.139 300 HA MET 41 HA MET 41 -7.200 10.468 4.782 301 1HB MET 41 1HB MET 41 -7.966 12.298 2.458 302 2HB MET 41 2HB MET 41 -9.127 11.475 3.498 303 1HG MET 41 1HG MET 41 -7.082 13.540 4.408 304 2HG MET 41 2HG MET 41 -8.809 13.798 4.205 305 1HE MET 41 3HE MET 41 -10.634 12.555 5.631 306 2HE MET 41 2HE MET 41 -9.895 10.931 5.643 307 3HE MET 41 1HE MET 41 -10.305 11.732 7.174 308 H ILE 42 HN ILE 42 -5.847 10.013 1.586 309 HA ILE 42 HA ILE 42 -7.803 8.030 0.774 310 HB ILE 42 HB ILE 42 -4.909 8.416 -0.061 311 1HG1 ILE 42 2HG12 ILE 42 -7.315 9.433 -1.615 312 2HG1 ILE 42 1HG11 ILE 42 -6.517 10.453 -0.416 313 1HG2 ILE 42 3HG23 ILE 42 -7.301 6.855 -1.143 314 2HG2 ILE 42 2HG22 ILE 42 -5.960 7.284 -2.199 315 3HG2 ILE 42 1HG21 ILE 42 -5.669 6.252 -0.785 316 1HD1 ILE 42 2HD12 ILE 42 -4.322 10.089 -1.543 317 2HD1 ILE 42 3HD13 ILE 42 -5.169 9.258 -2.859 318 3HD1 ILE 42 1HD11 ILE 42 -5.513 10.959 -2.513 319 H ALA 43 HN ALA 43 -4.917 8.072 2.802 320 HA ALA 43 HA ALA 43 -4.119 5.409 2.670 321 1HB ALA 43 1HB ALA 43 -2.821 7.183 3.774 322 2HB ALA 43 2HB ALA 43 -3.971 7.223 5.123 323 3HB ALA 43 3HB ALA 43 -3.023 5.763 4.814 324 HA PRO 44 HA PRO 44 -6.981 4.114 6.342 325 1HB PRO 44 1HB PRO 44 -9.308 5.545 6.795 326 2HB PRO 44 2HB PRO 44 -7.773 5.796 7.673 327 1HG PRO 44 2HG PRO 44 -8.768 7.306 5.241 328 2HG PRO 44 1HG PRO 44 -8.163 7.994 6.771 329 1HD PRO 44 1HD PRO 44 -6.495 7.793 4.709 330 2HD PRO 44 2HD PRO 44 -5.926 7.252 6.303 331 H LEU 45 HN LEU 45 -8.458 5.739 3.561 332 HA LEU 45 HA LEU 45 -10.635 3.901 3.163 333 1HB LEU 45 2HB LEU 45 -9.108 5.867 1.449 334 2HB LEU 45 1HB LEU 45 -10.144 4.715 0.647 335 HG LEU 45 HG LEU 45 -11.085 6.457 2.990 336 1HD1 LEU 45 3HD13 LEU 45 -11.135 7.159 0.030 337 2HD1 LEU 45 1HD11 LEU 45 -11.975 8.060 1.310 338 3HD1 LEU 45 2HD12 LEU 45 -10.206 7.983 1.299 339 1HD2 LEU 45 3HD23 LEU 45 -12.599 5.155 0.669 340 2HD2 LEU 45 2HD22 LEU 45 -12.596 4.564 2.342 341 3HD2 LEU 45 1HD21 LEU 45 -13.325 6.129 1.963 342 H PHE 46 HN PHE 46 -7.388 4.073 1.686 343 HA PHE 46 HA PHE 46 -7.525 1.557 0.325 344 1HB PHE 46 2HB PHE 46 -5.968 3.306 -0.255 345 2HB PHE 46 1HB PHE 46 -5.277 3.292 1.344 346 HD1 PHE 46 HD1 PHE 46 -5.913 0.882 -1.556 347 HD2 PHE 46 HD2 PHE 46 -3.165 2.211 1.501 348 HE1 PHE 46 HE1 PHE 46 -4.159 -0.515 -2.500 349 HE2 PHE 46 HE2 PHE 46 -1.423 0.723 0.582 350 HZ PHE 46 HZ PHE 46 -1.841 -0.505 -1.529 351 H GLU 47 HN GLU 47 -6.535 2.449 3.635 352 HA GLU 47 HA GLU 47 -5.503 -0.039 4.447 353 1HB GLU 47 1HB GLU 47 -5.457 2.272 5.658 354 2HB GLU 47 2HB GLU 47 -7.048 1.808 6.289 355 1HG GLU 47 2HG GLU 47 -5.361 1.240 7.913 356 2HG GLU 47 1HG GLU 47 -6.039 -0.256 7.262 357 H THR 48 HN THR 48 -8.854 1.210 4.330 358 HA THR 48 HA THR 48 -10.096 -0.944 5.716 359 HB THR 48 HB THR 48 -11.276 0.629 3.380 360 HG1 THR 48 HG1 THR 48 -10.370 1.966 5.108 361 1HG2 THR 48 2HG22 THR 48 -12.548 -0.723 5.795 362 2HG2 THR 48 1HG21 THR 48 -13.397 0.240 4.571 363 3HG2 THR 48 3HG23 THR 48 -12.641 -1.299 4.116 364 H LEU 49 HN LEU 49 -9.459 -0.486 2.182 365 HA LEU 49 HA LEU 49 -10.336 -3.078 1.361 366 1HB LEU 49 1HB LEU 49 -8.146 -1.302 0.225 367 2HB LEU 49 2HB LEU 49 -8.735 -2.757 -0.563 368 HG LEU 49 HG LEU 49 -10.613 -0.495 0.150 369 1HD1 LEU 49 2HD12 LEU 49 -8.726 0.379 -1.251 370 2HD1 LEU 49 1HD11 LEU 49 -9.066 -0.873 -2.459 371 3HD1 LEU 49 3HD13 LEU 49 -10.257 0.399 -2.115 372 1HD2 LEU 49 3HD23 LEU 49 -11.638 -2.685 -0.441 373 2HD2 LEU 49 1HD21 LEU 49 -11.986 -1.450 -1.652 374 3HD2 LEU 49 2HD22 LEU 49 -10.747 -2.669 -1.978 375 H SER 50 HN SER 50 -7.184 -1.906 2.579 376 HA SER 50 HA SER 50 -5.725 -4.290 2.235 377 1HB SER 50 1HB SER 50 -5.367 -2.471 4.647 378 2HB SER 50 2HB SER 50 -4.207 -3.490 3.815 379 HG SER 50 HG SER 50 -5.434 -1.336 2.466 380 H ASN 51 HN ASN 51 -7.701 -3.262 5.033 381 HA ASN 51 HA ASN 51 -7.267 -5.594 6.604 382 1HB ASN 51 1HB ASN 51 -8.280 -3.322 7.271 383 2HB ASN 51 2HB ASN 51 -9.807 -3.907 6.606 384 1HD2 ASN 51 1HD21 ASN 51 -9.577 -6.617 9.344 385 2HD2 ASN 51 2HD22 ASN 51 -9.351 -6.800 7.617 386 H ASP 52 HN ASP 52 -9.754 -4.772 4.140 387 HA ASP 52 HA ASP 52 -11.331 -7.130 4.480 388 1HB ASP 52 2HB ASP 52 -10.901 -5.463 1.948 389 2HB ASP 52 1HB ASP 52 -12.199 -6.624 2.225 390 H TYR 53 HN TYR 53 -8.904 -6.398 1.940 391 HA TYR 53 HA TYR 53 -8.781 -9.211 1.045 392 1HB TYR 53 1HB TYR 53 -7.579 -6.604 0.125 393 2HB TYR 53 2HB TYR 53 -7.309 -8.158 -0.667 394 HD1 TYR 53 HD1 TYR 53 -9.118 -9.310 -1.864 395 HD2 TYR 53 HD2 TYR 53 -9.592 -5.323 -0.291 396 HE1 TYR 53 HE1 TYR 53 -11.019 -8.922 -3.396 397 HE2 TYR 53 HE2 TYR 53 -11.487 -4.952 -1.794 398 HH TYR 53 HH TYR 53 -12.952 -5.905 -3.308 399 H ALA 54 HN ALA 54 -7.969 -9.350 3.558 400 HA ALA 54 HA ALA 54 -5.188 -8.643 3.945 401 1HB ALA 54 1HB ALA 54 -6.780 -8.868 5.803 402 2HB ALA 54 2HB ALA 54 -6.967 -10.603 5.455 403 3HB ALA 54 3HB ALA 54 -5.405 -9.967 6.016 404 H GLY 55 HN GLY 55 -3.341 -9.959 4.050 405 1HA GLY 55 1HA GLY 55 -2.002 -11.782 3.910 406 2HA GLY 55 2HA GLY 55 -3.431 -12.811 3.748 407 H LYS 56 HN LYS 56 -4.539 -12.663 1.506 408 HA LYS 56 HA LYS 56 -2.434 -13.597 -0.275 409 1HB LYS 56 1HB LYS 56 -4.125 -14.339 -1.708 410 2HB LYS 56 2HB LYS 56 -4.590 -14.711 -0.046 411 1HG LYS 56 1HG LYS 56 -6.132 -12.670 -0.117 412 2HG LYS 56 2HG LYS 56 -5.702 -12.525 -1.844 413 1HD LYS 56 2HD LYS 56 -6.383 -14.955 -2.127 414 2HD LYS 56 1HD LYS 56 -7.040 -14.904 -0.482 415 1HE LYS 56 2HE LYS 56 -8.559 -13.050 -1.188 416 2HE LYS 56 1HE LYS 56 -7.847 -13.117 -2.819 417 1HZ LYS 56 2HZ LYS 56 -8.554 -15.398 -2.960 418 2HZ LYS 56 3HZ LYS 56 -9.319 -15.289 -1.504 419 3HZ LYS 56 1HZ LYS 56 -9.840 -14.372 -2.775 420 H VAL 57 HN VAL 57 -4.213 -10.570 -0.069 421 HA VAL 57 HA VAL 57 -2.999 -9.629 -2.635 422 HB VAL 57 HB VAL 57 -5.120 -8.471 -0.833 423 1HG1 VAL 57 2HG22 VAL 57 -3.841 -6.675 -1.987 424 2HG1 VAL 57 1HG21 VAL 57 -4.322 -7.342 -3.540 425 3HG1 VAL 57 3HG23 VAL 57 -5.555 -6.751 -2.441 426 1HG2 VAL 57 1HG11 VAL 57 -5.341 -9.960 -3.455 427 2HG2 VAL 57 2HG12 VAL 57 -6.164 -10.267 -1.917 428 3HG2 VAL 57 3HG13 VAL 57 -6.618 -8.866 -2.893 429 H ILE 58 HN ILE 58 -1.345 -8.062 -2.500 430 HA ILE 58 HA ILE 58 -0.348 -7.560 0.301 431 HB ILE 58 HB ILE 58 1.114 -7.412 -2.341 432 1HG1 ILE 58 1HG11 ILE 58 2.484 -9.234 -1.564 433 2HG1 ILE 58 2HG12 ILE 58 1.544 -9.413 -0.087 434 1HG2 ILE 58 2HG22 ILE 58 1.929 -5.775 -0.627 435 2HG2 ILE 58 3HG23 ILE 58 2.171 -7.125 0.494 436 3HG2 ILE 58 1HG21 ILE 58 3.108 -7.024 -1.011 437 1HD1 ILE 58 3HD13 ILE 58 0.328 -9.790 -2.859 438 2HD1 ILE 58 2HD12 ILE 58 1.145 -11.088 -1.981 439 3HD1 ILE 58 1HD11 ILE 58 -0.295 -10.363 -1.286 440 H PHE 59 HN PHE 59 -0.352 -5.558 1.119 441 HA PHE 59 HA PHE 59 -1.143 -3.278 -0.664 442 1HB PHE 59 1HB PHE 59 -2.032 -3.889 2.162 443 2HB PHE 59 2HB PHE 59 -2.140 -2.302 1.432 444 HD1 PHE 59 HD2 PHE 59 -3.221 -5.872 0.908 445 HD2 PHE 59 HD1 PHE 59 -4.074 -1.699 0.272 446 HE1 PHE 59 HE2 PHE 59 -5.413 -6.441 -0.005 447 HE2 PHE 59 HE1 PHE 59 -6.195 -2.286 -0.837 448 HZ PHE 59 HZ PHE 59 -6.900 -4.674 -0.971 449 H LEU 60 HN LEU 60 0.660 -2.252 -1.004 450 HA LEU 60 HA LEU 60 2.690 -1.876 1.155 451 1HB LEU 60 1HB LEU 60 2.660 -1.605 -1.871 452 2HB LEU 60 2HB LEU 60 4.015 -1.034 -0.869 453 HG LEU 60 HG LEU 60 3.028 -3.890 -1.204 454 1HD1 LEU 60 1HD21 LEU 60 4.291 -2.925 -3.119 455 2HD1 LEU 60 2HD22 LEU 60 5.625 -2.520 -2.020 456 3HD1 LEU 60 3HD23 LEU 60 5.196 -4.218 -2.313 457 1HD2 LEU 60 1HD11 LEU 60 5.174 -2.695 0.591 458 2HD2 LEU 60 2HD12 LEU 60 3.850 -3.793 1.051 459 3HD2 LEU 60 3HD13 LEU 60 5.206 -4.389 0.076 460 H LYS 61 HN LYS 61 2.012 -0.109 2.412 461 HA LYS 61 HA LYS 61 1.188 2.359 0.937 462 1HB LYS 61 1HB LYS 61 -0.102 1.987 2.902 463 2HB LYS 61 2HB LYS 61 1.330 1.670 3.872 464 1HG LYS 61 1HG LYS 61 0.490 3.885 4.377 465 2HG LYS 61 2HG LYS 61 2.060 4.032 3.595 466 1HD LYS 61 1HD LYS 61 0.770 4.471 1.382 467 2HD LYS 61 2HD LYS 61 -0.698 4.473 2.366 468 1HE LYS 61 2HE LYS 61 -0.020 6.736 2.029 469 2HE LYS 61 1HE LYS 61 0.335 6.362 3.721 470 1HZ LYS 61 3HZ LYS 61 2.300 6.326 1.510 471 2HZ LYS 61 2HZ LYS 61 2.132 7.525 2.627 472 3HZ LYS 61 1HZ LYS 61 2.623 6.027 3.095 473 H VAL 62 HN VAL 62 2.772 3.697 0.187 474 HA VAL 62 HA VAL 62 5.468 3.598 1.473 475 HB VAL 62 HB VAL 62 4.752 3.692 -1.491 476 1HG1 VAL 62 1HG11 VAL 62 7.460 3.596 -0.098 477 2HG1 VAL 62 2HG12 VAL 62 7.205 3.441 -1.848 478 3HG1 VAL 62 3HG13 VAL 62 6.843 4.968 -1.045 479 1HG2 VAL 62 3HG23 VAL 62 6.052 1.499 0.193 480 2HG2 VAL 62 2HG22 VAL 62 4.439 1.427 -0.537 481 3HG2 VAL 62 1HG21 VAL 62 5.869 1.473 -1.567 482 H ASP 63 HN ASP 63 6.550 5.478 1.667 483 HA ASP 63 HA ASP 63 5.059 7.997 1.227 484 1HB ASP 63 1HB ASP 63 5.886 7.693 3.479 485 2HB ASP 63 2HB ASP 63 7.522 7.387 2.879 486 H VAL 64 HN VAL 64 5.447 8.759 -0.753 487 HA VAL 64 HA VAL 64 7.549 8.155 -2.543 488 HB VAL 64 HB VAL 64 5.704 10.570 -2.241 489 1HG1 VAL 64 2HG22 VAL 64 7.535 9.869 -4.575 490 2HG1 VAL 64 1HG21 VAL 64 6.189 11.023 -4.655 491 3HG1 VAL 64 3HG23 VAL 64 7.568 11.356 -3.601 492 1HG2 VAL 64 1HG11 VAL 64 4.657 8.331 -2.695 493 2HG2 VAL 64 2HG12 VAL 64 4.443 9.463 -4.038 494 3HG2 VAL 64 3HG13 VAL 64 5.686 8.188 -4.130 495 H ASP 65 HN ASP 65 7.400 10.513 0.120 496 HA ASP 65 HA ASP 65 9.663 12.101 -0.735 497 1HB ASP 65 2HB ASP 65 8.486 11.771 2.030 498 2HB ASP 65 1HB ASP 65 9.588 13.033 1.474 499 H ALA 66 HN ALA 66 9.328 8.944 0.823 500 HA ALA 66 HA ALA 66 12.037 9.066 2.023 501 1HB ALA 66 1HB ALA 66 10.192 8.190 3.374 502 2HB ALA 66 3HB ALA 66 9.873 6.939 2.160 503 3HB ALA 66 2HB ALA 66 11.417 6.951 3.044 504 H VAL 67 HN VAL 67 10.339 6.457 0.120 505 HA VAL 67 HA VAL 67 13.009 5.716 -0.952 506 HB VAL 67 HB VAL 67 11.810 3.889 -2.110 507 1HG1 VAL 67 1HG11 VAL 67 11.770 3.972 0.902 508 2HG1 VAL 67 2HG12 VAL 67 11.631 2.497 -0.091 509 3HG1 VAL 67 3HG13 VAL 67 13.109 3.460 -0.142 510 1HG2 VAL 67 2HG22 VAL 67 9.497 4.825 -2.042 511 2HG2 VAL 67 1HG21 VAL 67 9.637 3.194 -1.365 512 3HG2 VAL 67 3HG23 VAL 67 9.505 4.597 -0.277 513 H ALA 68 HN ALA 68 12.920 8.030 -1.806 514 HA ALA 68 HA ALA 68 11.532 8.828 -4.084 515 1HB ALA 68 1HB ALA 68 14.486 9.257 -3.434 516 2HB ALA 68 2HB ALA 68 13.526 10.204 -4.592 517 3HB ALA 68 3HB ALA 68 13.127 10.252 -2.863 518 H ALA 69 HN ALA 69 14.362 6.680 -3.838 519 HA ALA 69 HA ALA 69 14.954 6.284 -6.558 520 1HB ALA 69 1HB ALA 69 15.173 4.329 -4.227 521 2HB ALA 69 2HB ALA 69 15.990 4.178 -5.797 522 3HB ALA 69 3HB ALA 69 16.390 5.528 -4.719 523 H VAL 70 HN VAL 70 12.695 4.400 -4.445 524 HA VAL 70 HA VAL 70 11.949 2.553 -6.541 525 HB VAL 70 HB VAL 70 10.482 3.279 -3.977 526 1HG1 VAL 70 2HG22 VAL 70 10.207 0.872 -5.841 527 2HG1 VAL 70 1HG21 VAL 70 9.401 1.081 -4.276 528 3HG1 VAL 70 3HG23 VAL 70 8.998 2.150 -5.624 529 1HG2 VAL 70 1HG11 VAL 70 12.777 2.323 -3.574 530 2HG2 VAL 70 3HG13 VAL 70 11.490 1.204 -3.094 531 3HG2 VAL 70 2HG12 VAL 70 12.358 0.952 -4.621 532 H ALA 71 HN ALA 71 10.540 5.510 -5.148 533 HA ALA 71 HA ALA 71 8.184 5.654 -6.680 534 1HB ALA 71 2HB ALA 71 8.696 7.100 -4.742 535 2HB ALA 71 1HB ALA 71 9.919 7.963 -5.694 536 3HB ALA 71 3HB ALA 71 8.215 8.059 -6.154 537 H GLU 72 HN GLU 72 11.395 7.188 -7.520 538 HA GLU 72 HA GLU 72 10.374 8.136 -10.041 539 1HB GLU 72 2HB GLU 72 12.603 8.827 -10.518 540 2HB GLU 72 1HB GLU 72 12.246 9.188 -8.825 541 1HG GLU 72 1HG GLU 72 13.506 7.068 -8.216 542 2HG GLU 72 2HG GLU 72 13.990 6.930 -9.903 543 H ALA 73 HN ALA 73 12.206 5.165 -9.083 544 HA ALA 73 HA ALA 73 12.667 4.210 -11.712 545 1HB ALA 73 3HB ALA 73 12.130 2.647 -9.144 546 2HB ALA 73 1HB ALA 73 12.838 1.991 -10.634 547 3HB ALA 73 2HB ALA 73 13.711 3.229 -9.712 548 H ALA 74 HN ALA 74 9.882 3.690 -9.507 549 HA ALA 74 HA ALA 74 8.348 2.111 -11.364 550 1HB ALA 74 3HB ALA 74 7.685 3.640 -8.825 551 2HB ALA 74 2HB ALA 74 6.485 2.688 -9.729 552 3HB ALA 74 1HB ALA 74 7.914 1.901 -9.033 553 H GLY 75 HN GLY 75 8.628 5.582 -10.733 554 1HA GLY 75 1HA GLY 75 8.376 7.201 -12.448 555 2HA GLY 75 2HA GLY 75 7.237 6.148 -13.304 556 H ILE 76 HN ILE 76 7.378 7.291 -9.897 557 HA ILE 76 HA ILE 76 4.507 7.988 -9.964 558 HB ILE 76 HB ILE 76 6.649 7.884 -7.830 559 1HG1 ILE 76 2HG12 ILE 76 5.401 6.141 -6.896 560 2HG1 ILE 76 1HG11 ILE 76 3.931 6.540 -7.793 561 1HG2 ILE 76 3HG23 ILE 76 3.839 9.050 -7.652 562 2HG2 ILE 76 2HG22 ILE 76 4.712 8.433 -6.244 563 3HG2 ILE 76 1HG21 ILE 76 5.363 9.801 -7.135 564 1HD1 ILE 76 3HD13 ILE 76 6.408 5.363 -9.048 565 2HD1 ILE 76 1HD11 ILE 76 4.976 4.450 -8.564 566 3HD1 ILE 76 2HD12 ILE 76 4.839 5.650 -9.843 567 H THR 77 HN THR 77 4.266 9.740 -11.305 568 HA THR 77 HA THR 77 5.861 12.186 -10.865 569 HB THR 77 HB THR 77 4.420 12.913 -12.833 570 HG1 THR 77 HG1 THR 77 3.399 11.046 -13.884 571 1HG2 THR 77 1HG21 THR 77 6.704 11.958 -13.138 572 2HG2 THR 77 2HG22 THR 77 6.008 10.327 -13.218 573 3HG2 THR 77 3HG23 THR 77 5.622 11.521 -14.473 574 H ALA 78 HN ALA 78 2.418 11.658 -11.439 575 HA ALA 78 HA ALA 78 1.659 13.853 -9.655 576 1HB ALA 78 2HB ALA 78 0.002 11.892 -11.281 577 2HB ALA 78 3HB ALA 78 -0.625 13.322 -10.433 578 3HB ALA 78 1HB ALA 78 0.514 13.514 -11.780 579 H MET 79 HN MET 79 2.727 12.736 -7.759 580 HA MET 79 HA MET 79 1.323 10.571 -6.488 581 1HB MET 79 1HB MET 79 2.506 11.042 -4.487 582 2HB MET 79 2HB MET 79 3.609 11.191 -5.848 583 1HG MET 79 1HG MET 79 2.327 13.520 -4.348 584 2HG MET 79 2HG MET 79 3.948 12.901 -4.090 585 1HE MET 79 1HE MET 79 6.026 13.402 -5.505 586 2HE MET 79 3HE MET 79 5.286 12.480 -6.842 587 3HE MET 79 2HE MET 79 5.953 14.096 -7.141 588 HA PRO 80 HA PRO 80 0.316 10.043 -4.339 589 1HB PRO 80 2HB PRO 80 -2.167 9.172 -3.679 590 2HB PRO 80 1HB PRO 80 -1.291 10.401 -2.727 591 1HG PRO 80 1HG PRO 80 -3.375 10.925 -4.852 592 2HG PRO 80 2HG PRO 80 -3.291 11.565 -3.180 593 1HD PRO 80 2HD PRO 80 -2.318 12.977 -5.330 594 2HD PRO 80 1HD PRO 80 -1.507 13.034 -3.738 595 H THR 81 HN THR 81 0.514 8.175 -5.423 596 HA THR 81 HA THR 81 -1.009 7.711 -7.946 597 HB THR 81 HB THR 81 1.933 7.325 -7.346 598 HG1 THR 81 HG1 THR 81 0.549 9.425 -8.400 599 1HG2 THR 81 3HG23 THR 81 0.355 6.787 -9.908 600 2HG2 THR 81 2HG22 THR 81 2.123 6.786 -9.783 601 3HG2 THR 81 1HG21 THR 81 1.178 5.586 -8.890 602 H PHE 82 HN PHE 82 -1.614 5.609 -8.300 603 HA PHE 82 HA PHE 82 -1.075 3.621 -6.137 604 1HB PHE 82 2HB PHE 82 -3.647 4.261 -7.596 605 2HB PHE 82 1HB PHE 82 -3.398 2.807 -6.635 606 HD1 PHE 82 HD2 PHE 82 -3.755 6.506 -6.505 607 HD2 PHE 82 HD1 PHE 82 -3.252 2.888 -4.198 608 HE1 PHE 82 HE2 PHE 82 -3.981 7.802 -4.418 609 HE2 PHE 82 HE1 PHE 82 -3.647 4.178 -2.120 610 HZ PHE 82 HZ PHE 82 -3.777 6.642 -2.205 611 H HIS 83 HN HIS 83 -0.001 1.916 -6.994 612 HA HIS 83 HA HIS 83 -0.431 1.261 -9.909 613 1HB HIS 83 2HB HIS 83 2.029 0.896 -8.201 614 2HB HIS 83 1HB HIS 83 1.777 0.113 -9.755 615 HD2 HIS 83 HD2 HIS 83 0.583 3.588 -10.326 616 HE1 HIS 83 HE1 HIS 83 4.712 3.560 -11.220 617 HE2 HIS 83 HE2 HIS 83 2.515 4.842 -11.550 618 H VAL 84 HN VAL 84 -0.751 -0.883 -10.392 619 HA VAL 84 HA VAL 84 -1.129 -2.746 -8.069 620 HB VAL 84 HB VAL 84 -2.568 -2.922 -10.741 621 1HG1 VAL 84 3HG23 VAL 84 -2.943 -4.220 -7.994 622 2HG1 VAL 84 1HG21 VAL 84 -3.979 -4.471 -9.405 623 3HG1 VAL 84 2HG22 VAL 84 -2.296 -5.020 -9.443 624 1HG2 VAL 84 1HG11 VAL 84 -3.624 -1.761 -8.131 625 2HG2 VAL 84 2HG12 VAL 84 -3.370 -0.862 -9.647 626 3HG2 VAL 84 3HG13 VAL 84 -4.582 -2.146 -9.577 627 H TYR 85 HN TYR 85 0.874 -3.744 -8.047 628 HA TYR 85 HA TYR 85 2.087 -4.581 -10.625 629 1HB TYR 85 1HB TYR 85 3.075 -4.672 -7.766 630 2HB TYR 85 2HB TYR 85 3.886 -5.469 -9.115 631 HD1 TYR 85 HD1 TYR 85 3.003 -2.200 -7.639 632 HD2 TYR 85 HD2 TYR 85 5.121 -4.227 -10.796 633 HE1 TYR 85 HE1 TYR 85 4.089 -0.060 -8.308 634 HE2 TYR 85 HE2 TYR 85 6.161 -2.077 -11.476 635 HH TYR 85 HH TYR 85 5.001 0.996 -10.172 636 H LYS 86 HN LYS 86 1.160 -6.466 -11.423 637 HA LYS 86 HA LYS 86 -0.022 -8.390 -9.461 638 1HB LYS 86 2HB LYS 86 -1.325 -7.911 -11.465 639 2HB LYS 86 1HB LYS 86 0.000 -8.476 -12.497 640 1HG LYS 86 2HG LYS 86 -0.347 -10.677 -12.024 641 2HG LYS 86 1HG LYS 86 -0.792 -10.403 -10.342 642 1HD LYS 86 1HD LYS 86 -2.657 -9.700 -12.642 643 2HD LYS 86 2HD LYS 86 -2.621 -11.292 -11.858 644 1HE LYS 86 2HE LYS 86 -3.120 -10.302 -9.669 645 2HE LYS 86 1HE LYS 86 -3.148 -8.674 -10.368 646 1HZ LYS 86 3HZ LYS 86 -4.948 -10.867 -11.095 647 2HZ LYS 86 2HZ LYS 86 -5.311 -9.597 -10.110 648 3HZ LYS 86 1HZ LYS 86 -4.989 -9.334 -11.707 649 H ASP 87 HN ASP 87 1.411 -9.719 -8.593 650 HA ASP 87 HA ASP 87 3.104 -11.086 -8.143 651 1HB ASP 87 1HB ASP 87 3.400 -11.328 -11.184 652 2HB ASP 87 2HB ASP 87 4.097 -12.417 -9.991 653 H GLY 88 HN GLY 88 4.168 -9.177 -10.893 654 1HA GLY 88 1HA GLY 88 6.075 -7.622 -9.382 655 2HA GLY 88 2HA GLY 88 6.899 -8.911 -10.284 656 H VAL 89 HN VAL 89 3.963 -7.587 -11.776 657 HA VAL 89 HA VAL 89 5.594 -5.718 -13.422 658 HB VAL 89 HB VAL 89 5.524 -7.741 -14.697 659 1HG1 VAL 89 3HG13 VAL 89 2.501 -7.804 -14.310 660 2HG1 VAL 89 1HG11 VAL 89 3.419 -8.811 -15.442 661 3HG1 VAL 89 2HG12 VAL 89 3.690 -8.984 -13.710 662 1HG2 VAL 89 1HG21 VAL 89 5.162 -5.584 -15.881 663 2HG2 VAL 89 3HG23 VAL 89 4.438 -6.968 -16.717 664 3HG2 VAL 89 2HG22 VAL 89 3.406 -5.853 -15.807 665 H LYS 90 HN LYS 90 4.598 -3.840 -13.809 666 HA LYS 90 HA LYS 90 2.361 -3.015 -12.279 667 1HB LYS 90 2HB LYS 90 4.254 -1.600 -13.195 668 2HB LYS 90 1HB LYS 90 3.463 -1.665 -14.776 669 1HG LYS 90 1HG LYS 90 1.365 -0.741 -13.588 670 2HG LYS 90 2HG LYS 90 2.387 -0.490 -12.170 671 1HD LYS 90 2HD LYS 90 2.667 0.809 -14.921 672 2HD LYS 90 1HD LYS 90 2.158 1.572 -13.412 673 1HE LYS 90 1HE LYS 90 4.440 1.088 -12.471 674 2HE LYS 90 2HE LYS 90 4.945 0.489 -14.057 675 1HZ LYS 90 3HZ LYS 90 3.903 3.185 -13.555 676 2HZ LYS 90 2HZ LYS 90 5.503 2.807 -13.650 677 3HZ LYS 90 1HZ LYS 90 4.526 2.618 -14.969 678 H ALA 91 HN ALA 91 0.539 -4.255 -12.625 679 HA ALA 91 HA ALA 91 -0.459 -4.862 -15.310 680 1HB ALA 91 1HB ALA 91 -0.700 -6.459 -13.453 681 2HB ALA 91 2HB ALA 91 -1.677 -5.283 -12.541 682 3HB ALA 91 3HB ALA 91 -2.285 -5.954 -14.069 683 H ASP 92 HN ASP 92 -0.936 -2.415 -12.799 684 HA ASP 92 HA ASP 92 -2.535 -0.871 -14.681 685 1HB ASP 92 2HB ASP 92 -3.969 -2.573 -13.094 686 2HB ASP 92 1HB ASP 92 -3.908 -1.172 -12.024 687 H ASP 93 HN ASP 93 -3.263 1.213 -13.618 688 HA ASP 93 HA ASP 93 -1.321 2.309 -11.672 689 1HB ASP 93 1HB ASP 93 -0.628 2.537 -14.207 690 2HB ASP 93 2HB ASP 93 -1.824 3.820 -14.255 691 H LEU 94 HN LEU 94 -2.011 4.777 -11.657 692 HA LEU 94 HA LEU 94 -4.482 5.880 -12.098 693 1HB LEU 94 2HB LEU 94 -5.748 4.302 -10.878 694 2HB LEU 94 1HB LEU 94 -4.502 4.111 -9.641 695 HG LEU 94 HG LEU 94 -5.084 6.430 -8.798 696 1HD1 LEU 94 1HD11 LEU 94 -6.213 7.079 -11.104 697 2HD1 LEU 94 3HD13 LEU 94 -7.604 6.210 -10.473 698 3HD1 LEU 94 2HD12 LEU 94 -6.950 7.611 -9.594 699 1HD2 LEU 94 1HD21 LEU 94 -7.352 4.420 -8.847 700 2HD2 LEU 94 2HD22 LEU 94 -5.994 4.443 -7.711 701 3HD2 LEU 94 3HD23 LEU 94 -7.164 5.771 -7.710 702 H VAL 95 HN VAL 95 -4.507 8.010 -11.223 703 HA VAL 95 HA VAL 95 -2.491 8.734 -9.211 704 HB VAL 95 HB VAL 95 -2.040 10.801 -10.546 705 1HG1 VAL 95 3HG13 VAL 95 -0.429 8.981 -10.464 706 2HG1 VAL 95 1HG11 VAL 95 -1.213 8.166 -11.836 707 3HG1 VAL 95 2HG12 VAL 95 -0.411 9.730 -12.069 708 1HG2 VAL 95 1HG21 VAL 95 -3.987 10.728 -12.097 709 2HG2 VAL 95 3HG23 VAL 95 -2.446 10.830 -12.956 710 3HG2 VAL 95 2HG22 VAL 95 -3.305 9.283 -12.876 711 H GLY 96 HN GLY 96 -3.121 10.444 -7.926 712 1HA GLY 96 1HA GLY 96 -4.522 12.137 -7.122 713 2HA GLY 96 2HA GLY 96 -5.682 11.835 -8.430 714 H ALA 97 HN ALA 97 -6.679 12.241 -5.973 715 HA ALA 97 HA ALA 97 -6.955 9.882 -4.333 716 1HB ALA 97 1HB ALA 97 -7.010 12.291 -3.541 717 2HB ALA 97 3HB ALA 97 -8.573 12.472 -4.352 718 3HB ALA 97 2HB ALA 97 -8.402 11.332 -3.002 719 H SER 98 HN SER 98 -7.774 9.028 -6.882 720 HA SER 98 HA SER 98 -10.734 9.200 -6.991 721 1HB SER 98 2HB SER 98 -9.249 9.125 -9.045 722 2HB SER 98 1HB SER 98 -8.959 7.411 -8.666 723 HG SER 98 HG SER 98 -10.765 7.769 -10.083 724 H GLN 99 HN GLN 99 -10.735 8.408 -4.691 725 HA GLN 99 HA GLN 99 -10.033 5.871 -3.821 726 1HB GLN 99 2HB GLN 99 -11.846 6.051 -2.182 727 2HB GLN 99 1HB GLN 99 -10.909 7.542 -2.341 728 1HG GLN 99 2HG GLN 99 -12.719 8.545 -3.725 729 2HG GLN 99 1HG GLN 99 -13.688 7.074 -3.521 730 1HE2 GLN 99 2HE22 GLN 99 -14.409 7.716 -0.054 731 2HE2 GLN 99 1HE21 GLN 99 -14.137 6.398 -1.183 732 H ASP 100 HN ASP 100 -12.930 6.723 -5.711 733 HA ASP 100 HA ASP 100 -14.242 4.205 -5.674 734 1HB ASP 100 1HB ASP 100 -15.330 6.225 -6.514 735 2HB ASP 100 2HB ASP 100 -14.133 6.384 -7.814 736 H LYS 101 HN LYS 101 -11.792 5.548 -7.961 737 HA LYS 101 HA LYS 101 -11.744 3.176 -9.563 738 1HB LYS 101 1HB LYS 101 -11.031 5.470 -10.316 739 2HB LYS 101 2HB LYS 101 -9.625 5.334 -9.259 740 1HG LYS 101 2HG LYS 101 -9.101 4.846 -11.632 741 2HG LYS 101 1HG LYS 101 -8.721 3.502 -10.556 742 1HD LYS 101 2HD LYS 101 -9.711 2.782 -12.678 743 2HD LYS 101 1HD LYS 101 -10.672 2.264 -11.295 744 1HE LYS 101 1HE LYS 101 -12.287 4.124 -11.712 745 2HE LYS 101 2HE LYS 101 -11.273 4.703 -13.049 746 1HZ LYS 101 2HZ LYS 101 -11.688 2.627 -14.157 747 2HZ LYS 101 1HZ LYS 101 -12.618 2.097 -12.901 748 3HZ LYS 101 3HZ LYS 101 -13.104 3.390 -13.798 749 H LEU 102 HN LEU 102 -9.869 4.333 -6.753 750 HA LEU 102 HA LEU 102 -7.876 2.367 -6.648 751 1HB LEU 102 2HB LEU 102 -8.615 4.465 -5.043 752 2HB LEU 102 1HB LEU 102 -9.195 3.135 -4.054 753 HG LEU 102 HG LEU 102 -6.382 3.788 -4.998 754 1HD1 LEU 102 1HD11 LEU 102 -7.745 3.578 -2.267 755 2HD1 LEU 102 3HD13 LEU 102 -6.036 3.939 -2.519 756 3HD1 LEU 102 2HD12 LEU 102 -7.265 5.073 -3.102 757 1HD2 LEU 102 3HD23 LEU 102 -7.269 1.322 -3.451 758 2HD2 LEU 102 2HD22 LEU 102 -6.537 1.338 -5.077 759 3HD2 LEU 102 1HD21 LEU 102 -5.587 1.867 -3.689 760 H LYS 103 HN LYS 103 -11.156 2.343 -5.172 761 HA LYS 103 HA LYS 103 -11.128 -0.305 -4.149 762 1HB LYS 103 1HB LYS 103 -13.376 1.545 -5.063 763 2HB LYS 103 2HB LYS 103 -13.646 -0.011 -4.275 764 1HG LYS 103 1HG LYS 103 -12.499 0.692 -2.281 765 2HG LYS 103 2HG LYS 103 -11.987 2.217 -3.023 766 1HD LYS 103 2HD LYS 103 -14.381 2.874 -3.268 767 2HD LYS 103 1HD LYS 103 -14.872 1.376 -2.464 768 1HE LYS 103 1HE LYS 103 -13.129 3.577 -1.247 769 2HE LYS 103 2HE LYS 103 -14.849 3.313 -0.906 770 1HZ LYS 103 2HZ LYS 103 -14.275 1.158 -0.029 771 2HZ LYS 103 3HZ LYS 103 -12.674 1.435 -0.303 772 3HZ LYS 103 1HZ LYS 103 -13.495 2.362 0.781 773 H ALA 104 HN ALA 104 -12.458 0.948 -7.267 774 HA ALA 104 HA ALA 104 -13.347 -1.514 -8.282 775 1HB ALA 104 3HB ALA 104 -13.844 0.698 -9.283 776 2HB ALA 104 2HB ALA 104 -12.158 0.831 -9.828 777 3HB ALA 104 1HB ALA 104 -13.206 -0.440 -10.488 778 H LEU 105 HN LEU 105 -10.106 -0.005 -8.604 779 HA LEU 105 HA LEU 105 -8.933 -1.959 -10.279 780 1HB LEU 105 1HB LEU 105 -7.794 -0.045 -8.211 781 2HB LEU 105 2HB LEU 105 -6.764 -1.137 -9.132 782 HG LEU 105 HG LEU 105 -8.630 0.881 -10.454 783 1HD1 LEU 105 3HD13 LEU 105 -6.896 2.007 -9.080 784 2HD1 LEU 105 1HD11 LEU 105 -5.635 1.038 -9.874 785 3HD1 LEU 105 2HD12 LEU 105 -6.587 2.201 -10.817 786 1HD2 LEU 105 1HD21 LEU 105 -6.361 -0.857 -11.479 787 2HD2 LEU 105 3HD23 LEU 105 -8.062 -0.922 -11.991 788 3HD2 LEU 105 2HD22 LEU 105 -7.083 0.487 -12.393 789 H VAL 106 HN VAL 106 -8.751 -1.636 -6.660 790 HA VAL 106 HA VAL 106 -7.404 -4.118 -6.318 791 HB VAL 106 HB VAL 106 -9.078 -2.329 -4.564 792 1HG1 VAL 106 2HG12 VAL 106 -8.406 -5.212 -3.803 793 2HG1 VAL 106 1HG11 VAL 106 -8.826 -3.933 -2.654 794 3HG1 VAL 106 3HG13 VAL 106 -10.019 -4.453 -3.847 795 1HG2 VAL 106 2HG22 VAL 106 -6.602 -2.158 -4.918 796 2HG2 VAL 106 3HG23 VAL 106 -7.041 -2.474 -3.214 797 3HG2 VAL 106 1HG21 VAL 106 -6.430 -3.798 -4.236 798 H ALA 107 HN ALA 107 -10.895 -3.427 -6.440 799 HA ALA 107 HA ALA 107 -11.672 -5.997 -5.795 800 1HB ALA 107 2HB ALA 107 -13.244 -4.077 -5.908 801 2HB ALA 107 3HB ALA 107 -13.112 -4.051 -7.680 802 3HB ALA 107 1HB ALA 107 -13.861 -5.437 -6.866 803 H LYS 108 HN LYS 108 -11.142 -4.693 -9.177 804 HA LYS 108 HA LYS 108 -11.738 -7.231 -10.370 805 1HB LYS 108 1HB LYS 108 -10.854 -6.316 -12.360 806 2HB LYS 108 2HB LYS 108 -11.889 -5.117 -11.560 807 1HG LYS 108 1HG LYS 108 -9.813 -3.954 -10.822 808 2HG LYS 108 2HG LYS 108 -8.862 -5.144 -11.744 809 1HD LYS 108 2HD LYS 108 -9.063 -3.073 -12.956 810 2HD LYS 108 1HD LYS 108 -9.809 -4.409 -13.835 811 1HE LYS 108 2HE LYS 108 -12.041 -3.631 -13.261 812 2HE LYS 108 1HE LYS 108 -11.402 -2.508 -12.045 813 1HZ LYS 108 1HZ LYS 108 -10.980 -2.326 -14.948 814 2HZ LYS 108 3HZ LYS 108 -12.019 -1.404 -14.063 815 3HZ LYS 108 2HZ LYS 108 -10.394 -1.271 -13.826 816 H HIS 109 HN HIS 109 -8.627 -5.638 -9.595 817 HA HIS 109 HA HIS 109 -7.027 -7.812 -10.597 818 1HB HIS 109 2HB HIS 109 -6.392 -5.410 -8.840 819 2HB HIS 109 1HB HIS 109 -5.200 -6.565 -9.413 820 HD2 HIS 109 HD2 HIS 109 -7.147 -3.506 -10.805 821 HE1 HIS 109 HE1 HIS 109 -4.829 -5.114 -13.928 822 HE2 HIS 109 HE2 HIS 109 -6.256 -3.137 -13.236 823 H ALA 110 HN ALA 110 -8.691 -7.452 -7.570 824 HA ALA 110 HA ALA 110 -7.283 -8.631 -5.642 825 1HB ALA 110 2HB ALA 110 -10.134 -9.320 -6.427 826 2HB ALA 110 1HB ALA 110 -9.370 -9.699 -4.870 827 3HB ALA 110 3HB ALA 110 -9.603 -8.011 -5.345 828 H ALA 111 HN ALA 111 -8.731 -10.384 -8.386 829 HA ALA 111 HA ALA 111 -8.515 -12.471 -9.226 830 1HB ALA 111 2HB ALA 111 -6.093 -11.898 -9.252 831 2HB ALA 111 1HB ALA 111 -5.890 -12.639 -7.655 832 3HB ALA 111 3HB ALA 111 -6.396 -13.627 -9.040 833 H ALA 112 HN ALA 112 -6.895 -14.411 -6.955 834 HA ALA 112 HA ALA 112 -9.006 -14.779 -5.073 835 1HB ALA 112 3HB ALA 112 -8.541 -16.870 -7.255 836 2HB ALA 112 2HB ALA 112 -9.497 -17.111 -5.777 837 3HB ALA 112 1HB ALA 112 -10.043 -15.949 -7.003 No H/Q in entry = 837 Start of MODEL 7 1 1H GLY 1 2HN GLY 1 -4.257 -12.567 3.262 2 2H GLY 1 1HN GLY 1 -4.464 -14.127 3.802 3 3H GLY 1 3HN GLY 1 -5.393 -12.869 4.379 4 1HA GLY 1 1HA GLY 1 -3.788 -13.437 6.030 5 2HA GLY 1 2HA GLY 1 -2.509 -13.153 4.825 6 H GLY 2 HN GLY 2 -2.903 -11.674 7.376 7 1HA GLY 2 1HA GLY 2 -4.062 -9.078 6.755 8 2HA GLY 2 2HA GLY 2 -3.150 -9.550 8.196 9 H SER 3 HN SER 3 -2.314 -9.492 4.682 10 HA SER 3 HA SER 3 0.324 -8.363 5.214 11 1HB SER 3 1HB SER 3 -1.169 -8.994 2.643 12 2HB SER 3 2HB SER 3 0.579 -8.701 2.810 13 HG SER 3 HG SER 3 0.636 -10.575 4.170 14 H VAL 4 HN VAL 4 -1.079 -6.593 6.298 15 HA VAL 4 HA VAL 4 -2.096 -4.477 4.517 16 HB VAL 4 HB VAL 4 -1.864 -4.899 7.548 17 1HG1 VAL 4 1HG21 VAL 4 -3.001 -2.491 6.121 18 2HG1 VAL 4 3HG23 VAL 4 -3.533 -2.989 7.736 19 3HG1 VAL 4 2HG22 VAL 4 -1.847 -2.569 7.465 20 1HG2 VAL 4 2HG12 VAL 4 -4.262 -5.083 5.672 21 2HG2 VAL 4 1HG11 VAL 4 -3.521 -6.386 6.575 22 3HG2 VAL 4 3HG13 VAL 4 -4.376 -5.102 7.427 23 H ILE 5 HN ILE 5 -1.246 -2.101 5.229 24 HA ILE 5 HA ILE 5 1.510 -2.163 4.526 25 HB ILE 5 HB ILE 5 1.469 0.208 4.653 26 1HG1 ILE 5 1HG11 ILE 5 -1.178 -0.084 6.168 27 2HG1 ILE 5 2HG12 ILE 5 0.299 0.733 6.711 28 1HG2 ILE 5 1HG21 ILE 5 0.237 -1.051 2.844 29 2HG2 ILE 5 2HG22 ILE 5 -1.286 -0.647 3.649 30 3HG2 ILE 5 3HG23 ILE 5 -0.219 0.644 3.022 31 1HD1 ILE 5 2HD12 ILE 5 -0.020 2.471 4.994 32 2HD1 ILE 5 1HD11 ILE 5 -1.586 1.734 4.564 33 3HD1 ILE 5 3HD13 ILE 5 -1.319 2.382 6.187 34 H VAL 6 HN VAL 6 3.188 -1.865 5.659 35 HA VAL 6 HA VAL 6 3.322 -0.461 8.005 36 HB VAL 6 HB VAL 6 2.539 -2.494 9.185 37 1HG1 VAL 6 2HG12 VAL 6 3.080 -4.195 7.482 38 2HG1 VAL 6 1HG11 VAL 6 4.798 -4.095 7.918 39 3HG1 VAL 6 3HG13 VAL 6 3.612 -4.658 9.101 40 1HG2 VAL 6 1HG21 VAL 6 4.303 -1.196 10.318 41 2HG2 VAL 6 3HG23 VAL 6 4.256 -2.904 10.793 42 3HG2 VAL 6 2HG22 VAL 6 5.524 -2.329 9.700 43 H ILE 7 HN ILE 7 4.332 0.477 6.203 44 HA ILE 7 HA ILE 7 7.155 -0.099 5.966 45 HB ILE 7 HB ILE 7 6.147 -1.877 4.595 46 1HG1 ILE 7 2HG12 ILE 7 7.143 0.182 2.574 47 2HG1 ILE 7 1HG11 ILE 7 8.212 -0.560 3.767 48 1HG2 ILE 7 2HG22 ILE 7 4.346 0.276 3.733 49 2HG2 ILE 7 1HG21 ILE 7 4.843 -0.843 2.454 50 3HG2 ILE 7 3HG23 ILE 7 4.070 -1.457 3.914 51 1HD1 ILE 7 1HD11 ILE 7 6.447 -2.226 1.927 52 2HD1 ILE 7 2HD12 ILE 7 8.147 -1.816 1.620 53 3HD1 ILE 7 3HD13 ILE 7 7.670 -2.791 3.036 54 H ASP 8 HN ASP 8 8.049 1.405 4.333 55 HA ASP 8 HA ASP 8 6.622 3.775 3.541 56 1HB ASP 8 1HB ASP 8 7.718 5.379 4.959 57 2HB ASP 8 2HB ASP 8 6.960 4.201 6.034 58 H SER 9 HN SER 9 9.721 2.311 4.417 59 HA SER 9 HA SER 9 11.006 3.422 2.000 60 1HB SER 9 2HB SER 9 12.128 2.482 4.674 61 2HB SER 9 1HB SER 9 13.117 3.012 3.302 62 HG SER 9 HG SER 9 11.233 4.578 4.749 63 H LYS 10 HN LYS 10 12.548 2.295 0.897 64 HA LYS 10 HA LYS 10 11.944 0.010 -0.366 65 1HB LYS 10 2HB LYS 10 13.826 1.764 -0.693 66 2HB LYS 10 1HB LYS 10 14.799 0.716 0.329 67 1HG LYS 10 1HG LYS 10 14.262 -1.200 -1.284 68 2HG LYS 10 2HG LYS 10 13.584 0.010 -2.378 69 1HD LYS 10 2HD LYS 10 16.436 -0.028 -1.268 70 2HD LYS 10 1HD LYS 10 15.960 -0.616 -2.869 71 1HE LYS 10 1HE LYS 10 15.190 1.673 -3.479 72 2HE LYS 10 2HE LYS 10 15.726 2.275 -1.896 73 1HZ LYS 10 1HZ LYS 10 17.445 1.052 -3.933 74 2HZ LYS 10 2HZ LYS 10 17.347 2.658 -3.578 75 3HZ LYS 10 3HZ LYS 10 17.939 1.604 -2.460 76 H ALA 11 HN ALA 11 13.843 0.246 2.580 77 HA ALA 11 HA ALA 11 14.981 -2.232 2.839 78 1HB ALA 11 1HB ALA 11 15.244 -0.361 4.473 79 2HB ALA 11 3HB ALA 11 13.595 -0.658 5.075 80 3HB ALA 11 2HB ALA 11 14.863 -1.882 5.302 81 H ALA 12 HN ALA 12 11.484 -1.699 3.168 82 HA ALA 12 HA ALA 12 11.226 -4.636 3.828 83 1HB ALA 12 3HB ALA 12 9.411 -2.304 4.505 84 2HB ALA 12 2HB ALA 12 9.026 -4.019 4.786 85 3HB ALA 12 1HB ALA 12 10.393 -3.259 5.621 86 H TRP 13 HN TRP 13 11.212 -2.717 1.187 87 HA TRP 13 HA TRP 13 8.751 -3.191 -0.184 88 1HB TRP 13 1HB TRP 13 10.449 -1.556 -0.901 89 2HB TRP 13 2HB TRP 13 11.630 -2.839 -1.114 90 HD1 TRP 13 HD1 TRP 13 11.948 -3.876 -3.345 91 HE1 TRP 13 HE1 TRP 13 10.874 -3.636 -5.665 92 HE3 TRP 13 HE3 TRP 13 7.905 -1.003 -2.084 93 HZ2 TRP 13 HZ2 TRP 13 8.631 -2.356 -6.820 94 HZ3 TRP 13 HZ3 TRP 13 6.376 -0.208 -3.854 95 HH2 TRP 13 HH2 TRP 13 6.675 -0.919 -6.212 96 H ASP 14 HN ASP 14 11.879 -4.867 -0.193 97 HA ASP 14 HA ASP 14 11.160 -7.042 -1.911 98 1HB ASP 14 2HB ASP 14 13.227 -8.035 -1.136 99 2HB ASP 14 1HB ASP 14 13.448 -6.296 -1.411 100 H ALA 15 HN ALA 15 11.401 -6.695 1.567 101 HA ALA 15 HA ALA 15 10.600 -9.228 2.400 102 1HB ALA 15 1HB ALA 15 11.416 -7.442 3.925 103 2HB ALA 15 2HB ALA 15 9.838 -6.631 3.808 104 3HB ALA 15 3HB ALA 15 9.954 -8.243 4.529 105 H GLN 16 HN GLN 16 8.361 -6.456 2.012 106 HA GLN 16 HA GLN 16 5.981 -7.941 2.519 107 1HB GLN 16 1HB GLN 16 6.340 -5.344 2.383 108 2HB GLN 16 2HB GLN 16 6.095 -5.556 0.654 109 1HG GLN 16 2HG GLN 16 3.882 -5.278 1.151 110 2HG GLN 16 1HG GLN 16 3.934 -6.965 1.630 111 1HE2 GLN 16 1HE21 GLN 16 2.399 -4.803 4.377 112 2HE2 GLN 16 2HE22 GLN 16 2.106 -4.767 2.672 113 H LEU 17 HN LEU 17 7.607 -7.115 -0.619 114 HA LEU 17 HA LEU 17 5.778 -8.392 -2.327 115 1HB LEU 17 2HB LEU 17 8.796 -7.952 -2.427 116 2HB LEU 17 1HB LEU 17 7.949 -8.773 -3.732 117 HG LEU 17 HG LEU 17 7.147 -5.993 -2.802 118 1HD1 LEU 17 1HD21 LEU 17 9.077 -6.802 -5.025 119 2HD1 LEU 17 2HD22 LEU 17 8.440 -5.168 -4.753 120 3HD1 LEU 17 3HD23 LEU 17 9.497 -5.918 -3.541 121 1HD2 LEU 17 3HD13 LEU 17 6.702 -7.502 -5.426 122 2HD2 LEU 17 1HD11 LEU 17 5.477 -7.232 -4.175 123 3HD2 LEU 17 2HD12 LEU 17 6.145 -5.856 -5.056 124 H ALA 18 HN ALA 18 8.737 -9.783 -0.876 125 HA ALA 18 HA ALA 18 8.459 -12.385 -1.858 126 1HB ALA 18 1HB ALA 18 10.499 -11.502 -0.825 127 2HB ALA 18 3HB ALA 18 9.699 -11.418 0.758 128 3HB ALA 18 2HB ALA 18 9.987 -12.995 -0.010 129 H LYS 19 HN LYS 19 7.454 -11.239 1.476 130 HA LYS 19 HA LYS 19 6.284 -13.786 2.078 131 1HB LYS 19 2HB LYS 19 5.175 -12.743 3.922 132 2HB LYS 19 1HB LYS 19 6.865 -12.246 3.864 133 1HG LYS 19 2HG LYS 19 6.264 -10.045 3.226 134 2HG LYS 19 1HG LYS 19 4.600 -10.486 2.811 135 1HD LYS 19 1HD LYS 19 4.082 -10.980 5.131 136 2HD LYS 19 2HD LYS 19 5.763 -10.742 5.630 137 1HE LYS 19 2HE LYS 19 4.080 -8.542 4.350 138 2HE LYS 19 1HE LYS 19 4.152 -8.804 6.099 139 1HZ LYS 19 3HZ LYS 19 6.526 -8.308 4.454 140 2HZ LYS 19 2HZ LYS 19 5.695 -7.148 5.271 141 3HZ LYS 19 1HZ LYS 19 6.441 -8.371 6.098 142 H GLY 20 HN GLY 20 5.027 -11.036 0.239 143 1HA GLY 20 1HA GLY 20 2.286 -11.708 0.337 144 2HA GLY 20 2HA GLY 20 3.128 -10.803 -0.946 145 H LYS 21 HN LYS 21 4.919 -13.302 -1.456 146 HA LYS 21 HA LYS 21 4.905 -14.905 -3.102 147 1HB LYS 21 1HB LYS 21 2.165 -15.689 -2.011 148 2HB LYS 21 2HB LYS 21 3.294 -16.697 -2.916 149 1HG LYS 21 2HG LYS 21 3.706 -15.581 -0.109 150 2HG LYS 21 1HG LYS 21 3.305 -17.246 -0.532 151 1HD LYS 21 1HD LYS 21 5.467 -17.482 -1.739 152 2HD LYS 21 2HD LYS 21 5.885 -15.808 -1.317 153 1HE LYS 21 2HE LYS 21 5.717 -16.361 1.097 154 2HE LYS 21 1HE LYS 21 5.405 -18.059 0.675 155 1HZ LYS 21 2HZ LYS 21 7.814 -16.521 -0.012 156 2HZ LYS 21 1HZ LYS 21 7.701 -17.663 1.172 157 3HZ LYS 21 3HZ LYS 21 7.540 -18.098 -0.410 158 H GLU 22 HN GLU 22 4.604 -12.767 -4.116 159 HA GLU 22 HA GLU 22 2.690 -11.396 -5.297 160 1HB GLU 22 2HB GLU 22 5.171 -12.340 -6.782 161 2HB GLU 22 1HB GLU 22 4.292 -10.818 -6.999 162 1HG GLU 22 2HG GLU 22 5.953 -9.985 -5.742 163 2HG GLU 22 1HG GLU 22 4.978 -10.546 -4.382 164 H GLU 23 HN GLU 23 3.445 -14.600 -6.450 165 HA GLU 23 HA GLU 23 3.221 -15.013 -8.999 166 1HB GLU 23 2HB GLU 23 1.711 -16.324 -6.728 167 2HB GLU 23 1HB GLU 23 1.399 -16.844 -8.389 168 1HG GLU 23 1HG GLU 23 3.099 -18.256 -7.352 169 2HG GLU 23 2HG GLU 23 3.707 -17.405 -8.776 170 H HIS 24 HN HIS 24 0.039 -14.715 -7.387 171 HA HIS 24 HA HIS 24 -0.929 -13.033 -9.606 172 1HB HIS 24 1HB HIS 24 -1.500 -15.335 -10.314 173 2HB HIS 24 2HB HIS 24 -2.281 -15.635 -8.753 174 HD2 HIS 24 HD2 HIS 24 -2.830 -12.343 -10.814 175 HE1 HIS 24 HE1 HIS 24 -6.524 -14.371 -10.451 176 HE2 HIS 24 HE2 HIS 24 -5.417 -12.206 -11.262 177 H LYS 25 HN LYS 25 -0.194 -12.007 -7.275 178 HA LYS 25 HA LYS 25 -2.700 -11.828 -5.630 179 1HB LYS 25 2HB LYS 25 0.062 -11.083 -4.738 180 2HB LYS 25 1HB LYS 25 -1.380 -11.352 -3.759 181 1HG LYS 25 2HG LYS 25 0.190 -13.479 -5.284 182 2HG LYS 25 1HG LYS 25 0.249 -13.156 -3.552 183 1HD LYS 25 2HD LYS 25 -2.194 -13.693 -3.406 184 2HD LYS 25 1HD LYS 25 -2.135 -14.207 -5.112 185 1HE LYS 25 1HE LYS 25 -0.364 -15.862 -4.544 186 2HE LYS 25 2HE LYS 25 -0.443 -15.362 -2.847 187 1HZ LYS 25 3HZ LYS 25 -2.720 -16.079 -2.803 188 2HZ LYS 25 1HZ LYS 25 -2.650 -16.545 -4.383 189 3HZ LYS 25 2HZ LYS 25 -1.730 -17.316 -3.254 190 HA PRO 26 HA PRO 26 -2.455 -7.495 -7.003 191 1HB PRO 26 1HB PRO 26 -4.470 -6.432 -5.444 192 2HB PRO 26 2HB PRO 26 -4.728 -7.315 -6.965 193 1HG PRO 26 1HG PRO 26 -4.808 -8.433 -4.188 194 2HG PRO 26 2HG PRO 26 -6.073 -8.597 -5.418 195 1HD PRO 26 2HD PRO 26 -4.218 -10.510 -4.917 196 2HD PRO 26 1HD PRO 26 -4.550 -10.179 -6.631 197 H ILE 27 HN ILE 27 -0.357 -7.341 -6.115 198 HA ILE 27 HA ILE 27 -0.103 -6.431 -3.329 199 HB ILE 27 HB ILE 27 1.994 -6.492 -5.522 200 1HG1 ILE 27 1HG11 ILE 27 0.877 -8.556 -3.633 201 2HG1 ILE 27 2HG12 ILE 27 1.451 -8.735 -5.282 202 1HG2 ILE 27 1HG21 ILE 27 2.389 -4.890 -3.663 203 2HG2 ILE 27 3HG23 ILE 27 2.189 -6.207 -2.493 204 3HG2 ILE 27 2HG22 ILE 27 3.542 -6.211 -3.644 205 1HD1 ILE 27 3HD13 ILE 27 3.243 -8.366 -2.839 206 2HD1 ILE 27 2HD12 ILE 27 2.882 -9.881 -3.653 207 3HD1 ILE 27 1HD11 ILE 27 3.759 -8.609 -4.536 208 H VAL 28 HN VAL 28 -1.272 -4.577 -3.142 209 HA VAL 28 HA VAL 28 -1.176 -2.559 -5.308 210 HB VAL 28 HB VAL 28 -3.400 -3.160 -4.597 211 1HG1 VAL 28 1HG21 VAL 28 -2.734 -2.255 -1.808 212 2HG1 VAL 28 3HG23 VAL 28 -4.345 -2.592 -2.457 213 3HG1 VAL 28 2HG22 VAL 28 -3.162 -3.891 -2.341 214 1HG2 VAL 28 3HG13 VAL 28 -2.961 -0.968 -5.470 215 2HG2 VAL 28 1HG11 VAL 28 -4.238 -0.921 -4.250 216 3HG2 VAL 28 2HG12 VAL 28 -2.594 -0.347 -3.855 217 H VAL 29 HN VAL 29 0.147 -0.933 -5.145 218 HA VAL 29 HA VAL 29 1.608 -0.481 -2.599 219 HB VAL 29 HB VAL 29 2.294 0.453 -5.404 220 1HG1 VAL 29 2HG22 VAL 29 3.867 0.198 -2.815 221 2HG1 VAL 29 3HG23 VAL 29 4.521 0.707 -4.381 222 3HG1 VAL 29 1HG21 VAL 29 3.345 1.725 -3.545 223 1HG2 VAL 29 2HG12 VAL 29 3.175 -2.047 -3.912 224 2HG2 VAL 29 3HG13 VAL 29 2.250 -1.979 -5.421 225 3HG2 VAL 29 1HG11 VAL 29 3.930 -1.411 -5.391 226 H ASP 30 HN ASP 30 0.918 1.178 -1.381 227 HA ASP 30 HA ASP 30 -0.476 3.512 -2.632 228 1HB ASP 30 1HB ASP 30 -1.467 2.800 -0.612 229 2HB ASP 30 2HB ASP 30 0.070 2.731 0.252 230 H PHE 31 HN PHE 31 1.203 4.405 -3.913 231 HA PHE 31 HA PHE 31 3.704 5.290 -2.555 232 1HB PHE 31 1HB PHE 31 2.637 5.558 -5.380 233 2HB PHE 31 2HB PHE 31 4.058 6.383 -4.814 234 HD1 PHE 31 HD2 PHE 31 6.116 5.136 -4.156 235 HD2 PHE 31 HD1 PHE 31 2.737 3.222 -6.035 236 HE1 PHE 31 HE2 PHE 31 7.622 3.417 -5.113 237 HE2 PHE 31 HE1 PHE 31 4.272 1.558 -7.057 238 HZ PHE 31 HZ PHE 31 6.706 1.640 -6.593 239 H THR 32 HN THR 32 3.137 6.895 -1.060 240 HA THR 32 HA THR 32 1.578 9.216 -2.102 241 HB THR 32 HB THR 32 0.092 7.858 -0.705 242 HG1 THR 32 HG1 THR 32 -0.584 9.599 0.473 243 1HG2 THR 32 1HG21 THR 32 1.767 6.826 0.821 244 2HG2 THR 32 3HG23 THR 32 2.074 8.415 1.561 245 3HG2 THR 32 2HG22 THR 32 0.480 7.649 1.711 246 H ALA 33 HN ALA 33 1.859 11.048 -0.445 247 HA ALA 33 HA ALA 33 4.794 11.375 0.136 248 1HB ALA 33 2HB ALA 33 2.881 13.334 -1.186 249 2HB ALA 33 3HB ALA 33 4.481 13.759 -0.539 250 3HB ALA 33 1HB ALA 33 4.341 12.601 -1.875 251 H THR 34 HN THR 34 4.854 11.288 2.313 252 HA THR 34 HA THR 34 2.864 11.530 4.181 253 HB THR 34 HB THR 34 5.001 12.245 5.619 254 HG1 THR 34 HG1 THR 34 6.750 11.248 3.979 255 1HG2 THR 34 1HG21 THR 34 4.021 9.984 5.535 256 2HG2 THR 34 2HG22 THR 34 4.902 9.653 4.023 257 3HG2 THR 34 3HG23 THR 34 5.795 9.930 5.540 258 H TRP 35 HN TRP 35 5.119 14.114 3.213 259 HA TRP 35 HA TRP 35 4.066 16.146 4.868 260 1HB TRP 35 2HB TRP 35 5.207 17.688 3.310 261 2HB TRP 35 1HB TRP 35 6.213 16.345 3.835 262 HD1 TRP 35 HD1 TRP 35 7.110 14.676 2.017 263 HE1 TRP 35 HE1 TRP 35 7.410 14.951 -0.535 264 HE3 TRP 35 HE3 TRP 35 3.706 18.421 1.135 265 HZ2 TRP 35 HZ2 TRP 35 6.117 16.323 -2.682 266 HZ3 TRP 35 HZ3 TRP 35 3.208 19.122 -1.184 267 HH2 TRP 35 HH2 TRP 35 4.406 18.087 -3.098 268 H CYS 36 HN CYS 36 2.816 14.933 1.762 269 HA CYS 36 HA CYS 36 1.060 17.283 1.366 270 1HB CYS 36 1HB CYS 36 1.815 16.231 -0.652 271 2HB CYS 36 2HB CYS 36 1.357 14.637 -0.059 272 H GLY 37 HN GLY 37 0.182 17.174 3.512 273 1HA GLY 37 1HA GLY 37 -1.101 15.366 4.964 274 2HA GLY 37 2HA GLY 37 -1.877 16.927 4.649 275 HA PRO 38 HA PRO 38 -5.219 15.197 2.339 276 1HB PRO 38 1HB PRO 38 -4.030 16.141 -0.286 277 2HB PRO 38 2HB PRO 38 -5.722 16.275 0.276 278 1HG PRO 38 2HG PRO 38 -4.093 18.426 0.460 279 2HG PRO 38 1HG PRO 38 -5.108 17.985 1.867 280 1HD PRO 38 1HD PRO 38 -2.183 17.366 1.411 281 2HD PRO 38 2HD PRO 38 -2.981 17.989 2.883 282 H CYS 39 HN CYS 39 -2.074 14.533 0.833 283 HA CYS 39 HA CYS 39 -2.971 12.177 -0.641 284 1HB CYS 39 2HB CYS 39 -0.114 12.902 0.099 285 2HB CYS 39 1HB CYS 39 -0.673 11.824 -1.160 286 H LYS 40 HN LYS 40 -1.383 12.975 2.445 287 HA LYS 40 HA LYS 40 -0.778 10.282 3.204 288 1HB LYS 40 1HB LYS 40 0.334 12.270 4.140 289 2HB LYS 40 2HB LYS 40 -1.179 12.760 4.925 290 1HG LYS 40 2HG LYS 40 -1.163 10.766 6.338 291 2HG LYS 40 1HG LYS 40 0.194 10.090 5.435 292 1HD LYS 40 2HD LYS 40 0.888 11.035 7.620 293 2HD LYS 40 1HD LYS 40 1.710 11.786 6.251 294 1HE LYS 40 2HE LYS 40 1.055 13.434 7.956 295 2HE LYS 40 1HE LYS 40 0.311 13.772 6.395 296 1HZ LYS 40 2HZ LYS 40 -1.005 12.421 8.653 297 2HZ LYS 40 3HZ LYS 40 -1.242 13.986 8.195 298 3HZ LYS 40 1HZ LYS 40 -1.702 12.760 7.197 299 H MET 41 HN MET 41 -3.598 12.369 3.769 300 HA MET 41 HA MET 41 -5.009 10.799 5.673 301 1HB MET 41 2HB MET 41 -5.968 12.572 3.380 302 2HB MET 41 1HB MET 41 -7.080 11.847 4.537 303 1HG MET 41 2HG MET 41 -4.790 13.699 5.294 304 2HG MET 41 1HG MET 41 -6.466 14.168 5.055 305 1HE MET 41 1HE MET 41 -8.429 13.271 6.541 306 2HE MET 41 3HE MET 41 -7.949 11.556 6.659 307 3HE MET 41 2HE MET 41 -8.221 12.505 8.134 308 H ILE 42 HN ILE 42 -4.722 10.312 2.218 309 HA ILE 42 HA ILE 42 -6.782 8.304 2.032 310 HB ILE 42 HB ILE 42 -4.263 8.698 0.364 311 1HG1 ILE 42 1HG11 ILE 42 -5.409 10.763 0.269 312 2HG1 ILE 42 2HG12 ILE 42 -5.851 9.916 -1.201 313 1HG2 ILE 42 3HG23 ILE 42 -6.876 7.205 -0.141 314 2HG2 ILE 42 2HG22 ILE 42 -5.696 7.597 -1.413 315 3HG2 ILE 42 1HG21 ILE 42 -5.237 6.530 -0.077 316 1HD1 ILE 42 2HD12 ILE 42 -8.030 9.288 -0.209 317 2HD1 ILE 42 1HD11 ILE 42 -7.611 10.210 1.261 318 3HD1 ILE 42 3HD13 ILE 42 -7.768 11.045 -0.278 319 H ALA 43 HN ALA 43 -3.443 8.137 3.169 320 HA ALA 43 HA ALA 43 -2.996 5.394 2.842 321 1HB ALA 43 2HB ALA 43 -1.229 6.943 3.507 322 2HB ALA 43 1HB ALA 43 -1.969 7.182 5.102 323 3HB ALA 43 3HB ALA 43 -1.349 5.594 4.655 324 HA PRO 44 HA PRO 44 -4.897 4.363 7.133 325 1HB PRO 44 1HB PRO 44 -6.836 6.054 8.195 326 2HB PRO 44 2HB PRO 44 -5.116 6.016 8.672 327 1HG PRO 44 1HG PRO 44 -6.447 7.839 6.674 328 2HG PRO 44 2HG PRO 44 -5.307 8.293 7.974 329 1HD PRO 44 2HD PRO 44 -4.388 8.001 5.476 330 2HD PRO 44 1HD PRO 44 -3.464 7.303 6.822 331 H LEU 45 HN LEU 45 -6.850 6.173 4.755 332 HA LEU 45 HA LEU 45 -9.193 4.480 4.975 333 1HB LEU 45 2HB LEU 45 -8.104 5.929 2.512 334 2HB LEU 45 1HB LEU 45 -9.667 5.163 2.641 335 HG LEU 45 HG LEU 45 -8.675 7.596 4.202 336 1HD1 LEU 45 2HD12 LEU 45 -9.282 7.973 1.826 337 2HD1 LEU 45 1HD11 LEU 45 -10.880 7.261 2.136 338 3HD1 LEU 45 3HD13 LEU 45 -10.408 8.779 2.934 339 1HD2 LEU 45 3HD23 LEU 45 -11.337 6.116 4.406 340 2HD2 LEU 45 2HD22 LEU 45 -10.153 6.369 5.712 341 3HD2 LEU 45 1HD21 LEU 45 -11.037 7.745 5.049 342 H PHE 46 HN PHE 46 -6.359 4.393 2.804 343 HA PHE 46 HA PHE 46 -6.900 1.941 1.511 344 1HB PHE 46 1HB PHE 46 -5.239 3.544 0.804 345 2HB PHE 46 2HB PHE 46 -4.276 3.288 2.245 346 HD1 PHE 46 HD1 PHE 46 -5.563 1.342 -0.765 347 HD2 PHE 46 HD2 PHE 46 -2.568 1.635 2.324 348 HE1 PHE 46 HE1 PHE 46 -3.969 0.167 -2.187 349 HE2 PHE 46 HE2 PHE 46 -1.002 0.341 0.914 350 HZ PHE 46 HZ PHE 46 -1.619 -0.267 -1.380 351 H GLU 47 HN GLU 47 -5.176 2.568 4.596 352 HA GLU 47 HA GLU 47 -4.455 -0.081 5.244 353 1HB GLU 47 2HB GLU 47 -3.724 2.081 6.307 354 2HB GLU 47 1HB GLU 47 -5.246 2.115 7.197 355 1HG GLU 47 1HG GLU 47 -3.261 -0.197 7.337 356 2HG GLU 47 2HG GLU 47 -3.185 1.211 8.398 357 H THR 48 HN THR 48 -7.480 1.744 5.937 358 HA THR 48 HA THR 48 -8.760 -0.301 7.454 359 HB THR 48 HB THR 48 -10.100 1.742 5.615 360 HG1 THR 48 HG1 THR 48 -8.619 2.705 7.120 361 1HG2 THR 48 3HG23 THR 48 -11.044 0.334 8.148 362 2HG2 THR 48 1HG21 THR 48 -11.928 1.592 7.263 363 3HG2 THR 48 2HG22 THR 48 -11.640 0.017 6.502 364 H LEU 49 HN LEU 49 -8.841 0.436 3.914 365 HA LEU 49 HA LEU 49 -10.429 -1.854 3.243 366 1HB LEU 49 1HB LEU 49 -8.558 -0.045 1.697 367 2HB LEU 49 2HB LEU 49 -9.148 -1.520 0.949 368 HG LEU 49 HG LEU 49 -10.424 0.495 0.430 369 1HD1 LEU 49 2HD12 LEU 49 -11.404 -1.729 0.105 370 2HD1 LEU 49 3HD13 LEU 49 -12.023 -1.752 1.763 371 3HD1 LEU 49 1HD11 LEU 49 -12.664 -0.591 0.606 372 1HD2 LEU 49 3HD23 LEU 49 -10.502 1.643 2.587 373 2HD2 LEU 49 1HD21 LEU 49 -12.132 1.368 1.975 374 3HD2 LEU 49 2HD22 LEU 49 -11.512 0.346 3.275 375 H SER 50 HN SER 50 -6.966 -1.432 3.682 376 HA SER 50 HA SER 50 -6.122 -3.971 2.746 377 1HB SER 50 2HB SER 50 -4.950 -2.732 5.230 378 2HB SER 50 1HB SER 50 -4.172 -3.750 4.008 379 HG SER 50 HG SER 50 -5.152 -1.341 3.086 380 H ASN 51 HN ASN 51 -7.411 -3.066 5.935 381 HA ASN 51 HA ASN 51 -7.220 -5.748 7.031 382 1HB ASN 51 2HB ASN 51 -8.961 -3.359 7.799 383 2HB ASN 51 1HB ASN 51 -9.000 -4.917 8.621 384 1HD2 ASN 51 2HD22 ASN 51 -5.690 -2.497 9.118 385 2HD2 ASN 51 1HD21 ASN 51 -6.689 -2.267 7.702 386 H ASP 52 HN ASP 52 -9.863 -3.885 5.454 387 HA ASP 52 HA ASP 52 -11.891 -5.801 5.483 388 1HB ASP 52 1HB ASP 52 -12.103 -3.463 4.565 389 2HB ASP 52 2HB ASP 52 -11.196 -3.985 3.129 390 H TYR 53 HN TYR 53 -9.160 -5.522 3.196 391 HA TYR 53 HA TYR 53 -9.996 -8.041 1.802 392 1HB TYR 53 2HB TYR 53 -8.241 -5.700 1.072 393 2HB TYR 53 1HB TYR 53 -8.265 -7.178 0.120 394 HD1 TYR 53 HD2 TYR 53 -10.485 -8.024 -0.826 395 HD2 TYR 53 HD1 TYR 53 -9.665 -3.951 0.312 396 HE1 TYR 53 HE2 TYR 53 -11.843 -7.214 -2.723 397 HE2 TYR 53 HE1 TYR 53 -10.867 -3.154 -1.686 398 HH TYR 53 HH TYR 53 -11.823 -3.845 -3.790 399 H ALA 54 HN ALA 54 -8.833 -8.283 4.449 400 HA ALA 54 HA ALA 54 -6.008 -8.822 4.137 401 1HB ALA 54 3HB ALA 54 -8.024 -9.692 6.252 402 2HB ALA 54 1HB ALA 54 -6.263 -9.863 6.389 403 3HB ALA 54 2HB ALA 54 -6.983 -8.250 6.294 404 H GLY 55 HN GLY 55 -7.192 -10.112 1.991 405 1HA GLY 55 1HA GLY 55 -7.344 -13.047 2.603 406 2HA GLY 55 2HA GLY 55 -8.087 -12.223 1.228 407 H LYS 56 HN LYS 56 -6.990 -13.099 -0.519 408 HA LYS 56 HA LYS 56 -4.085 -13.524 -0.486 409 1HB LYS 56 1HB LYS 56 -4.474 -14.305 -2.782 410 2HB LYS 56 2HB LYS 56 -5.503 -15.134 -1.628 411 1HG LYS 56 2HG LYS 56 -7.460 -14.166 -2.387 412 2HG LYS 56 1HG LYS 56 -6.682 -12.707 -3.000 413 1HD LYS 56 1HD LYS 56 -6.400 -15.446 -4.307 414 2HD LYS 56 2HD LYS 56 -7.590 -14.215 -4.763 415 1HE LYS 56 1HE LYS 56 -5.694 -12.596 -5.190 416 2HE LYS 56 2HE LYS 56 -4.559 -13.932 -4.963 417 1HZ LYS 56 1HZ LYS 56 -5.713 -15.070 -6.762 418 2HZ LYS 56 3HZ LYS 56 -6.648 -13.727 -7.000 419 3HZ LYS 56 2HZ LYS 56 -5.009 -13.655 -7.220 420 H VAL 57 HN VAL 57 -4.455 -10.872 0.111 421 HA VAL 57 HA VAL 57 -3.764 -9.384 -2.375 422 HB VAL 57 HB VAL 57 -5.628 -8.462 -0.155 423 1HG1 VAL 57 3HG13 VAL 57 -4.388 -6.595 -1.117 424 2HG1 VAL 57 1HG11 VAL 57 -4.905 -7.004 -2.737 425 3HG1 VAL 57 2HG12 VAL 57 -6.100 -6.522 -1.548 426 1HG2 VAL 57 1HG21 VAL 57 -6.362 -9.418 -2.942 427 2HG2 VAL 57 3HG23 VAL 57 -6.905 -10.055 -1.384 428 3HG2 VAL 57 2HG22 VAL 57 -7.435 -8.457 -1.909 429 H ILE 58 HN ILE 58 -2.259 -7.635 -1.943 430 HA ILE 58 HA ILE 58 -1.262 -7.515 0.878 431 HB ILE 58 HB ILE 58 0.450 -7.790 -1.624 432 1HG1 ILE 58 2HG12 ILE 58 1.380 -9.621 0.157 433 2HG1 ILE 58 1HG11 ILE 58 -0.312 -9.630 0.621 434 1HG2 ILE 58 2HG22 ILE 58 1.257 -7.174 1.244 435 2HG2 ILE 58 3HG23 ILE 58 2.366 -7.582 -0.084 436 3HG2 ILE 58 1HG21 ILE 58 1.427 -6.096 -0.151 437 1HD1 ILE 58 1HD11 ILE 58 -0.879 -10.053 -1.840 438 2HD1 ILE 58 2HD12 ILE 58 0.862 -10.282 -2.099 439 3HD1 ILE 58 3HD13 ILE 58 -0.020 -11.350 -0.997 440 H PHE 59 HN PHE 59 -1.049 -5.498 1.603 441 HA PHE 59 HA PHE 59 -1.279 -3.253 -0.355 442 1HB PHE 59 1HB PHE 59 -2.286 -3.441 2.489 443 2HB PHE 59 2HB PHE 59 -2.233 -1.977 1.545 444 HD1 PHE 59 HD1 PHE 59 -3.664 -5.481 1.353 445 HD2 PHE 59 HD2 PHE 59 -4.239 -1.280 0.636 446 HE1 PHE 59 HE1 PHE 59 -5.977 -5.908 0.654 447 HE2 PHE 59 HE2 PHE 59 -6.516 -1.721 -0.208 448 HZ PHE 59 HZ PHE 59 -7.403 -4.038 -0.206 449 H LEU 60 HN LEU 60 0.418 -1.799 -0.287 450 HA LEU 60 HA LEU 60 2.191 -1.886 2.123 451 1HB LEU 60 2HB LEU 60 3.879 -2.916 1.106 452 2HB LEU 60 1HB LEU 60 2.590 -3.468 0.006 453 HG LEU 60 HG LEU 60 3.176 -1.605 -1.547 454 1HD1 LEU 60 3HD23 LEU 60 4.728 -0.281 0.047 455 2HD1 LEU 60 2HD22 LEU 60 5.830 -1.664 -0.033 456 3HD1 LEU 60 1HD21 LEU 60 5.466 -0.762 -1.490 457 1HD2 LEU 60 2HD12 LEU 60 5.128 -3.816 -0.868 458 2HD2 LEU 60 1HD11 LEU 60 3.668 -3.953 -1.873 459 3HD2 LEU 60 3HD13 LEU 60 5.040 -2.970 -2.437 460 H LYS 61 HN LYS 61 2.657 0.119 2.780 461 HA LYS 61 HA LYS 61 2.124 2.360 0.890 462 1HB LYS 61 2HB LYS 61 1.261 2.443 3.153 463 2HB LYS 61 1HB LYS 61 2.910 2.376 3.816 464 1HG LYS 61 1HG LYS 61 3.432 4.562 2.838 465 2HG LYS 61 2HG LYS 61 1.937 4.531 1.884 466 1HD LYS 61 1HD LYS 61 1.644 6.024 3.746 467 2HD LYS 61 2HD LYS 61 0.594 4.611 3.931 468 1HE LYS 61 1HE LYS 61 2.189 3.631 5.579 469 2HE LYS 61 2HE LYS 61 3.312 4.973 5.307 470 1HZ LYS 61 3HZ LYS 61 1.646 6.447 6.180 471 2HZ LYS 61 2HZ LYS 61 0.605 5.192 6.421 472 3HZ LYS 61 1HZ LYS 61 2.013 5.268 7.272 473 H VAL 62 HN VAL 62 3.603 3.833 0.097 474 HA VAL 62 HA VAL 62 6.470 3.461 0.829 475 HB VAL 62 HB VAL 62 5.413 3.894 -1.991 476 1HG1 VAL 62 3HG13 VAL 62 8.233 3.522 -0.880 477 2HG1 VAL 62 2HG12 VAL 62 7.822 3.544 -2.603 478 3HG1 VAL 62 1HG11 VAL 62 7.589 5.000 -1.631 479 1HG2 VAL 62 1HG21 VAL 62 6.671 1.437 -0.714 480 2HG2 VAL 62 2HG22 VAL 62 5.009 1.603 -1.334 481 3HG2 VAL 62 3HG23 VAL 62 6.376 1.661 -2.454 482 H ASP 63 HN ASP 63 7.446 5.327 1.316 483 HA ASP 63 HA ASP 63 5.938 7.871 1.134 484 1HB ASP 63 1HB ASP 63 7.139 7.295 3.207 485 2HB ASP 63 2HB ASP 63 8.667 7.220 2.321 486 H VAL 64 HN VAL 64 5.917 8.453 -1.003 487 HA VAL 64 HA VAL 64 7.860 8.017 -2.983 488 HB VAL 64 HB VAL 64 5.750 10.180 -2.575 489 1HG1 VAL 64 2HG22 VAL 64 7.452 9.723 -5.058 490 2HG1 VAL 64 1HG21 VAL 64 5.962 10.688 -5.002 491 3HG1 VAL 64 3HG23 VAL 64 7.370 11.206 -4.084 492 1HG2 VAL 64 3HG13 VAL 64 5.041 7.784 -2.909 493 2HG2 VAL 64 1HG11 VAL 64 4.510 8.851 -4.221 494 3HG2 VAL 64 2HG12 VAL 64 5.914 7.785 -4.452 495 H ASP 65 HN ASP 65 7.596 10.697 -0.647 496 HA ASP 65 HA ASP 65 9.476 12.447 -1.841 497 1HB ASP 65 1HB ASP 65 7.829 12.905 0.066 498 2HB ASP 65 2HB ASP 65 9.015 12.183 1.160 499 H ALA 66 HN ALA 66 9.852 9.954 0.689 500 HA ALA 66 HA ALA 66 12.730 10.269 0.901 501 1HB ALA 66 2HB ALA 66 11.343 9.446 2.765 502 2HB ALA 66 1HB ALA 66 10.890 8.013 1.820 503 3HB ALA 66 3HB ALA 66 12.578 8.254 2.313 504 H VAL 67 HN VAL 67 10.662 7.633 -0.473 505 HA VAL 67 HA VAL 67 13.048 6.385 -1.654 506 HB VAL 67 HB VAL 67 10.201 5.427 -2.044 507 1HG1 VAL 67 2HG22 VAL 67 12.262 4.412 -3.181 508 2HG1 VAL 67 3HG23 VAL 67 12.843 3.951 -1.581 509 3HG1 VAL 67 1HG21 VAL 67 11.317 3.273 -2.189 510 1HG2 VAL 67 3HG13 VAL 67 11.925 4.966 0.424 511 2HG2 VAL 67 2HG12 VAL 67 10.319 5.726 0.394 512 3HG2 VAL 67 1HG11 VAL 67 10.482 4.028 -0.041 513 H ALA 68 HN ALA 68 12.999 8.745 -2.747 514 HA ALA 68 HA ALA 68 11.422 9.319 -4.976 515 1HB ALA 68 1HB ALA 68 13.047 10.877 -3.985 516 2HB ALA 68 2HB ALA 68 14.397 9.875 -4.565 517 3HB ALA 68 3HB ALA 68 13.334 10.697 -5.728 518 H ALA 69 HN ALA 69 14.423 7.376 -4.861 519 HA ALA 69 HA ALA 69 14.782 6.870 -7.582 520 1HB ALA 69 1HB ALA 69 15.361 5.038 -5.209 521 2HB ALA 69 3HB ALA 69 16.052 4.883 -6.839 522 3HB ALA 69 2HB ALA 69 16.426 6.309 -5.852 523 H VAL 70 HN VAL 70 12.986 4.768 -5.247 524 HA VAL 70 HA VAL 70 12.195 2.888 -7.285 525 HB VAL 70 HB VAL 70 10.868 3.420 -4.596 526 1HG1 VAL 70 1HG21 VAL 70 10.826 0.952 -6.385 527 2HG1 VAL 70 3HG23 VAL 70 10.123 1.072 -4.761 528 3HG1 VAL 70 2HG22 VAL 70 9.456 2.041 -6.081 529 1HG2 VAL 70 2HG12 VAL 70 13.327 2.856 -4.388 530 2HG2 VAL 70 3HG13 VAL 70 12.282 1.562 -3.780 531 3HG2 VAL 70 1HG11 VAL 70 13.045 1.417 -5.381 532 H ALA 71 HN ALA 71 10.628 5.733 -5.763 533 HA ALA 71 HA ALA 71 8.127 5.529 -7.058 534 1HB ALA 71 3HB ALA 71 8.613 7.110 -5.239 535 2HB ALA 71 1HB ALA 71 9.667 8.058 -6.307 536 3HB ALA 71 2HB ALA 71 7.932 7.953 -6.642 537 H GLU 72 HN GLU 72 11.002 7.435 -8.240 538 HA GLU 72 HA GLU 72 9.661 8.129 -10.684 539 1HB GLU 72 2HB GLU 72 11.738 9.039 -11.415 540 2HB GLU 72 1HB GLU 72 11.513 9.426 -9.706 541 1HG GLU 72 2HG GLU 72 13.063 7.469 -9.184 542 2HG GLU 72 1HG GLU 72 13.416 7.370 -10.913 543 H ALA 73 HN ALA 73 11.939 5.442 -9.862 544 HA ALA 73 HA ALA 73 12.188 4.455 -12.521 545 1HB ALA 73 2HB ALA 73 13.654 3.772 -10.658 546 2HB ALA 73 1HB ALA 73 12.288 2.956 -9.863 547 3HB ALA 73 3HB ALA 73 12.896 2.362 -11.422 548 H ALA 74 HN ALA 74 9.847 3.675 -9.935 549 HA ALA 74 HA ALA 74 8.435 1.619 -11.314 550 1HB ALA 74 2HB ALA 74 7.582 3.473 -9.054 551 2HB ALA 74 3HB ALA 74 6.726 2.009 -9.561 552 3HB ALA 74 1HB ALA 74 8.354 1.882 -8.889 553 H GLY 75 HN GLY 75 7.827 5.107 -10.918 554 1HA GLY 75 1HA GLY 75 7.052 6.367 -12.889 555 2HA GLY 75 2HA GLY 75 5.955 5.034 -13.279 556 H ILE 76 HN ILE 76 6.734 7.325 -10.665 557 HA ILE 76 HA ILE 76 3.876 7.450 -9.810 558 HB ILE 76 HB ILE 76 6.539 8.090 -8.535 559 1HG1 ILE 76 1HG11 ILE 76 5.748 6.744 -6.741 560 2HG1 ILE 76 2HG12 ILE 76 4.074 6.824 -7.285 561 1HG2 ILE 76 1HG21 ILE 76 3.843 9.212 -7.644 562 2HG2 ILE 76 2HG22 ILE 76 5.302 9.153 -6.643 563 3HG2 ILE 76 3HG23 ILE 76 5.293 10.143 -8.101 564 1HD1 ILE 76 3HD13 ILE 76 6.221 5.354 -8.842 565 2HD1 ILE 76 1HD11 ILE 76 5.186 4.611 -7.643 566 3HD1 ILE 76 2HD12 ILE 76 4.460 5.308 -9.081 567 H THR 77 HN THR 77 2.785 9.411 -9.804 568 HA THR 77 HA THR 77 4.088 11.742 -11.128 569 HB THR 77 HB THR 77 2.025 12.019 -12.535 570 HG1 THR 77 HG1 THR 77 1.597 9.276 -11.918 571 1HG2 THR 77 2HG22 THR 77 4.123 11.079 -13.500 572 2HG2 THR 77 3HG23 THR 77 3.565 9.439 -13.113 573 3HG2 THR 77 1HG21 THR 77 2.665 10.431 -14.274 574 H ALA 78 HN ALA 78 0.674 11.210 -10.518 575 HA ALA 78 HA ALA 78 0.663 13.467 -8.576 576 1HB ALA 78 1HB ALA 78 -1.598 11.924 -9.907 577 2HB ALA 78 3HB ALA 78 -1.784 13.316 -8.821 578 3HB ALA 78 2HB ALA 78 -0.973 13.515 -10.388 579 H MET 79 HN MET 79 1.119 12.873 -6.496 580 HA MET 79 HA MET 79 0.586 10.196 -5.528 581 1HB MET 79 2HB MET 79 1.414 12.691 -3.993 582 2HB MET 79 1HB MET 79 1.365 11.036 -3.372 583 1HG MET 79 2HG MET 79 3.606 11.307 -3.889 584 2HG MET 79 1HG MET 79 2.967 10.402 -5.259 585 1HE MET 79 2HE MET 79 3.210 14.216 -4.172 586 2HE MET 79 1HE MET 79 4.863 13.559 -4.042 587 3HE MET 79 3HE MET 79 4.479 14.759 -5.293 588 HA PRO 80 HA PRO 80 -0.260 9.101 -3.652 589 1HB PRO 80 2HB PRO 80 -3.018 7.978 -3.689 590 2HB PRO 80 1HB PRO 80 -1.759 7.779 -2.441 591 1HG PRO 80 1HG PRO 80 -3.893 9.397 -2.040 592 2HG PRO 80 2HG PRO 80 -2.266 9.946 -1.549 593 1HD PRO 80 2HD PRO 80 -3.745 10.602 -4.124 594 2HD PRO 80 1HD PRO 80 -2.966 11.730 -2.985 595 H THR 81 HN THR 81 0.357 7.416 -5.006 596 HA THR 81 HA THR 81 -1.124 6.979 -7.565 597 HB THR 81 HB THR 81 1.845 7.007 -6.974 598 HG1 THR 81 HG1 THR 81 0.325 8.890 -7.840 599 1HG2 THR 81 3HG23 THR 81 0.326 5.920 -9.389 600 2HG2 THR 81 1HG21 THR 81 2.049 6.309 -9.420 601 3HG2 THR 81 2HG22 THR 81 1.465 5.046 -8.336 602 H PHE 82 HN PHE 82 -1.859 4.925 -7.823 603 HA PHE 82 HA PHE 82 -0.983 2.892 -5.822 604 1HB PHE 82 1HB PHE 82 -3.633 3.158 -7.247 605 2HB PHE 82 2HB PHE 82 -3.167 1.877 -6.162 606 HD1 PHE 82 HD2 PHE 82 -2.526 2.392 -3.751 607 HD2 PHE 82 HD1 PHE 82 -4.395 5.322 -6.314 608 HE1 PHE 82 HE2 PHE 82 -3.084 3.783 -1.776 609 HE2 PHE 82 HE1 PHE 82 -4.927 6.702 -4.338 610 HZ PHE 82 HZ PHE 82 -4.153 5.976 -2.056 611 H HIS 83 HN HIS 83 0.215 1.246 -6.667 612 HA HIS 83 HA HIS 83 -0.054 0.594 -9.596 613 1HB HIS 83 1HB HIS 83 2.309 0.485 -7.704 614 2HB HIS 83 2HB HIS 83 2.244 -0.387 -9.235 615 HD2 HIS 83 HD2 HIS 83 0.887 3.113 -9.852 616 HE1 HIS 83 HE1 HIS 83 5.007 3.182 -10.735 617 HE2 HIS 83 HE2 HIS 83 2.868 4.464 -10.993 618 H VAL 84 HN VAL 84 -0.355 -1.653 -10.023 619 HA VAL 84 HA VAL 84 -0.649 -3.412 -7.615 620 HB VAL 84 HB VAL 84 -2.021 -3.801 -10.289 621 1HG1 VAL 84 3HG23 VAL 84 -1.778 -5.751 -8.740 622 2HG1 VAL 84 1HG21 VAL 84 -2.544 -4.804 -7.446 623 3HG1 VAL 84 2HG22 VAL 84 -3.470 -5.243 -8.897 624 1HG2 VAL 84 1HG11 VAL 84 -3.075 -2.340 -7.831 625 2HG2 VAL 84 2HG12 VAL 84 -2.855 -1.657 -9.460 626 3HG2 VAL 84 3HG13 VAL 84 -4.065 -2.913 -9.189 627 H TYR 85 HN TYR 85 1.279 -4.537 -7.456 628 HA TYR 85 HA TYR 85 2.646 -5.382 -9.975 629 1HB TYR 85 1HB TYR 85 3.586 -5.262 -7.111 630 2HB TYR 85 2HB TYR 85 4.476 -6.061 -8.407 631 HD1 TYR 85 HD2 TYR 85 3.228 -2.778 -7.258 632 HD2 TYR 85 HD1 TYR 85 5.716 -4.868 -10.077 633 HE1 TYR 85 HE2 TYR 85 4.282 -0.631 -7.936 634 HE2 TYR 85 HE1 TYR 85 6.608 -2.699 -10.894 635 HH TYR 85 HH TYR 85 5.172 0.387 -9.853 636 H LYS 86 HN LYS 86 1.539 -7.200 -10.715 637 HA LYS 86 HA LYS 86 1.095 -9.456 -8.782 638 1HB LYS 86 2HB LYS 86 0.165 -9.217 -11.667 639 2HB LYS 86 1HB LYS 86 -0.188 -10.529 -10.520 640 1HG LYS 86 2HG LYS 86 -1.177 -8.740 -8.970 641 2HG LYS 86 1HG LYS 86 -1.026 -7.627 -10.323 642 1HD LYS 86 1HD LYS 86 -2.816 -10.091 -10.088 643 2HD LYS 86 2HD LYS 86 -3.276 -8.400 -10.256 644 1HE LYS 86 1HE LYS 86 -2.092 -8.460 -12.545 645 2HE LYS 86 2HE LYS 86 -2.135 -10.226 -12.393 646 1HZ LYS 86 3HZ LYS 86 -4.439 -8.394 -12.290 647 2HZ LYS 86 2HZ LYS 86 -4.022 -9.339 -13.574 648 3HZ LYS 86 1HZ LYS 86 -4.549 -10.031 -12.180 649 H ASP 87 HN ASP 87 2.277 -11.257 -8.994 650 HA ASP 87 HA ASP 87 3.961 -12.704 -9.445 651 1HB ASP 87 1HB ASP 87 3.089 -12.727 -11.768 652 2HB ASP 87 2HB ASP 87 4.144 -11.385 -12.205 653 H GLY 88 HN GLY 88 4.816 -9.731 -11.002 654 1HA GLY 88 1HA GLY 88 6.519 -8.541 -9.137 655 2HA GLY 88 2HA GLY 88 7.567 -9.550 -10.162 656 H VAL 89 HN VAL 89 4.550 -8.042 -11.413 657 HA VAL 89 HA VAL 89 6.126 -5.997 -12.868 658 HB VAL 89 HB VAL 89 4.173 -7.972 -14.138 659 1HG1 VAL 89 1HG21 VAL 89 5.924 -5.788 -15.353 660 2HG1 VAL 89 2HG22 VAL 89 4.952 -6.958 -16.269 661 3HG1 VAL 89 3HG23 VAL 89 4.149 -5.767 -15.242 662 1HG2 VAL 89 1HG11 VAL 89 7.210 -7.848 -14.348 663 2HG2 VAL 89 3HG13 VAL 89 6.241 -9.182 -13.677 664 3HG2 VAL 89 2HG12 VAL 89 6.155 -8.815 -15.399 665 H LYS 90 HN LYS 90 5.020 -4.120 -13.027 666 HA LYS 90 HA LYS 90 2.608 -3.585 -11.622 667 1HB LYS 90 1HB LYS 90 4.324 -1.895 -12.176 668 2HB LYS 90 2HB LYS 90 3.947 -2.065 -13.894 669 1HG LYS 90 2HG LYS 90 1.643 -1.212 -13.480 670 2HG LYS 90 1HG LYS 90 1.952 -1.181 -11.752 671 1HD LYS 90 1HD LYS 90 2.233 1.072 -12.547 672 2HD LYS 90 2HD LYS 90 3.834 0.455 -12.140 673 1HE LYS 90 1HE LYS 90 3.820 1.763 -14.229 674 2HE LYS 90 2HE LYS 90 4.340 0.102 -14.522 675 1HZ LYS 90 3HZ LYS 90 1.609 1.115 -14.974 676 2HZ LYS 90 2HZ LYS 90 2.755 0.918 -16.145 677 3HZ LYS 90 1HZ LYS 90 2.168 -0.391 -15.341 678 H ALA 91 HN ALA 91 0.927 -4.941 -12.232 679 HA ALA 91 HA ALA 91 0.341 -5.519 -15.041 680 1HB ALA 91 3HB ALA 91 -0.015 -7.176 -13.248 681 2HB ALA 91 1HB ALA 91 -1.217 -6.104 -12.489 682 3HB ALA 91 2HB ALA 91 -1.528 -6.792 -14.100 683 H ASP 92 HN ASP 92 -0.701 -3.189 -12.612 684 HA ASP 92 HA ASP 92 -2.209 -1.689 -14.549 685 1HB ASP 92 1HB ASP 92 -3.782 -3.557 -13.789 686 2HB ASP 92 2HB ASP 92 -3.684 -2.890 -12.148 687 H ASP 93 HN ASP 93 -3.176 0.298 -13.329 688 HA ASP 93 HA ASP 93 -2.033 0.951 -10.803 689 1HB ASP 93 2HB ASP 93 -0.564 2.827 -11.580 690 2HB ASP 93 1HB ASP 93 0.033 1.246 -12.052 691 H LEU 94 HN LEU 94 -2.274 3.392 -10.429 692 HA LEU 94 HA LEU 94 -4.515 4.742 -11.736 693 1HB LEU 94 2HB LEU 94 -5.687 3.023 -10.495 694 2HB LEU 94 1HB LEU 94 -4.631 3.245 -9.105 695 HG LEU 94 HG LEU 94 -5.681 5.463 -8.656 696 1HD1 LEU 94 1HD11 LEU 94 -7.445 4.514 -10.965 697 2HD1 LEU 94 2HD12 LEU 94 -7.862 5.875 -9.902 698 3HD1 LEU 94 3HD13 LEU 94 -6.460 5.974 -10.970 699 1HD2 LEU 94 2HD22 LEU 94 -7.477 3.016 -8.796 700 2HD2 LEU 94 1HD21 LEU 94 -6.372 3.459 -7.485 701 3HD2 LEU 94 3HD23 LEU 94 -7.785 4.461 -7.814 702 H VAL 95 HN VAL 95 -4.857 6.907 -10.614 703 HA VAL 95 HA VAL 95 -2.723 7.719 -8.768 704 HB VAL 95 HB VAL 95 -2.355 9.756 -10.102 705 1HG1 VAL 95 3HG23 VAL 95 -0.809 7.860 -10.352 706 2HG1 VAL 95 1HG21 VAL 95 -1.776 7.233 -11.708 707 3HG1 VAL 95 2HG22 VAL 95 -0.960 8.796 -11.848 708 1HG2 VAL 95 3HG13 VAL 95 -4.491 9.827 -11.372 709 2HG2 VAL 95 2HG12 VAL 95 -3.083 9.912 -12.438 710 3HG2 VAL 95 1HG11 VAL 95 -3.986 8.396 -12.296 711 H GLY 96 HN GLY 96 -3.193 9.619 -7.607 712 1HA GLY 96 1HA GLY 96 -4.473 11.339 -6.740 713 2HA GLY 96 2HA GLY 96 -5.787 10.967 -7.879 714 H ALA 97 HN ALA 97 -6.679 11.486 -5.476 715 HA ALA 97 HA ALA 97 -6.770 9.226 -3.639 716 1HB ALA 97 3HB ALA 97 -8.380 11.813 -3.811 717 2HB ALA 97 2HB ALA 97 -8.382 10.685 -2.446 718 3HB ALA 97 1HB ALA 97 -6.895 11.563 -2.865 719 H SER 98 HN SER 98 -7.534 8.347 -6.196 720 HA SER 98 HA SER 98 -10.407 8.325 -6.594 721 1HB SER 98 2HB SER 98 -8.173 6.689 -7.828 722 2HB SER 98 1HB SER 98 -9.774 7.019 -8.537 723 HG SER 98 HG SER 98 -7.542 8.456 -8.794 724 H GLN 99 HN GLN 99 -10.338 7.513 -4.113 725 HA GLN 99 HA GLN 99 -9.614 4.902 -3.464 726 1HB GLN 99 2HB GLN 99 -11.046 5.088 -1.547 727 2HB GLN 99 1HB GLN 99 -10.188 6.601 -1.832 728 1HG GLN 99 1HG GLN 99 -12.256 7.598 -2.798 729 2HG GLN 99 2HG GLN 99 -13.111 6.066 -2.543 730 1HE2 GLN 99 2HE22 GLN 99 -12.204 8.414 0.721 731 2HE2 GLN 99 1HE21 GLN 99 -11.376 8.690 -0.803 732 H ASP 100 HN ASP 100 -12.547 5.953 -5.156 733 HA ASP 100 HA ASP 100 -14.089 3.549 -4.875 734 1HB ASP 100 2HB ASP 100 -15.332 4.408 -6.786 735 2HB ASP 100 1HB ASP 100 -15.059 5.692 -5.604 736 H LYS 101 HN LYS 101 -11.875 4.751 -7.420 737 HA LYS 101 HA LYS 101 -12.007 2.341 -8.963 738 1HB LYS 101 2HB LYS 101 -11.398 4.614 -9.825 739 2HB LYS 101 1HB LYS 101 -9.875 4.518 -8.943 740 1HG LYS 101 2HG LYS 101 -9.616 4.000 -11.325 741 2HG LYS 101 1HG LYS 101 -9.147 2.619 -10.312 742 1HD LYS 101 1HD LYS 101 -11.229 1.458 -10.861 743 2HD LYS 101 2HD LYS 101 -11.864 2.904 -11.672 744 1HE LYS 101 1HE LYS 101 -11.059 1.251 -13.301 745 2HE LYS 101 2HE LYS 101 -10.081 2.724 -13.387 746 1HZ LYS 101 2HZ LYS 101 -9.336 0.263 -11.959 747 2HZ LYS 101 3HZ LYS 101 -8.756 0.733 -13.426 748 3HZ LYS 101 1HZ LYS 101 -8.411 1.620 -12.086 749 H LEU 102 HN LEU 102 -9.883 3.490 -6.346 750 HA LEU 102 HA LEU 102 -7.913 1.483 -6.489 751 1HB LEU 102 1HB LEU 102 -7.871 3.565 -5.116 752 2HB LEU 102 2HB LEU 102 -9.043 2.840 -4.004 753 HG LEU 102 HG LEU 102 -7.504 1.184 -3.242 754 1HD1 LEU 102 2HD22 LEU 102 -5.691 2.254 -5.431 755 2HD1 LEU 102 1HD21 LEU 102 -5.087 1.317 -4.047 756 3HD1 LEU 102 3HD23 LEU 102 -6.231 0.578 -5.171 757 1HD2 LEU 102 2HD12 LEU 102 -6.425 4.028 -3.434 758 2HD2 LEU 102 3HD13 LEU 102 -7.438 3.343 -2.152 759 3HD2 LEU 102 1HD11 LEU 102 -5.755 2.817 -2.346 760 H LYS 103 HN LYS 103 -10.991 1.528 -4.593 761 HA LYS 103 HA LYS 103 -10.786 -1.062 -3.471 762 1HB LYS 103 1HB LYS 103 -13.175 0.588 -4.385 763 2HB LYS 103 2HB LYS 103 -13.315 -0.886 -3.428 764 1HG LYS 103 2HG LYS 103 -12.279 0.062 -1.535 765 2HG LYS 103 1HG LYS 103 -11.544 1.372 -2.449 766 1HD LYS 103 1HD LYS 103 -13.860 2.254 -2.949 767 2HD LYS 103 2HD LYS 103 -14.511 1.068 -1.802 768 1HE LYS 103 1HE LYS 103 -13.194 2.096 0.017 769 2HE LYS 103 2HE LYS 103 -12.374 3.159 -1.142 770 1HZ LYS 103 2HZ LYS 103 -14.520 4.130 -1.637 771 2HZ LYS 103 1HZ LYS 103 -15.219 3.229 -0.447 772 3HZ LYS 103 3HZ LYS 103 -14.069 4.357 -0.076 773 H ALA 104 HN ALA 104 -12.139 0.065 -6.587 774 HA ALA 104 HA ALA 104 -12.970 -2.460 -7.560 775 1HB ALA 104 2HB ALA 104 -13.667 -0.264 -8.497 776 2HB ALA 104 1HB ALA 104 -12.046 -0.067 -9.196 777 3HB ALA 104 3HB ALA 104 -13.080 -1.397 -9.731 778 H LEU 105 HN LEU 105 -9.739 -0.822 -7.862 779 HA LEU 105 HA LEU 105 -8.541 -2.661 -9.643 780 1HB LEU 105 2HB LEU 105 -7.297 -1.279 -7.217 781 2HB LEU 105 1HB LEU 105 -6.397 -2.252 -8.359 782 HG LEU 105 HG LEU 105 -7.814 0.326 -9.111 783 1HD1 LEU 105 2HD22 LEU 105 -4.912 -0.345 -8.414 784 2HD1 LEU 105 1HD21 LEU 105 -5.443 1.170 -9.144 785 3HD1 LEU 105 3HD23 LEU 105 -5.988 0.741 -7.518 786 1HD2 LEU 105 3HD13 LEU 105 -5.734 -1.368 -10.568 787 2HD2 LEU 105 2HD12 LEU 105 -7.440 -1.183 -11.053 788 3HD2 LEU 105 1HD11 LEU 105 -6.345 0.210 -11.098 789 H VAL 106 HN VAL 106 -8.625 -2.709 -6.044 790 HA VAL 106 HA VAL 106 -7.333 -5.222 -5.792 791 HB VAL 106 HB VAL 106 -9.383 -3.974 -3.902 792 1HG1 VAL 106 2HG22 VAL 106 -7.224 -6.106 -3.541 793 2HG1 VAL 106 3HG23 VAL 106 -8.131 -5.364 -2.208 794 3HG1 VAL 106 1HG21 VAL 106 -8.968 -6.366 -3.402 795 1HG2 VAL 106 3HG13 VAL 106 -6.343 -3.753 -3.981 796 2HG2 VAL 106 1HG11 VAL 106 -7.483 -2.437 -4.323 797 3HG2 VAL 106 2HG12 VAL 106 -7.401 -3.122 -2.700 798 H ALA 107 HN ALA 107 -10.810 -4.447 -5.879 799 HA ALA 107 HA ALA 107 -11.820 -7.048 -5.657 800 1HB ALA 107 2HB ALA 107 -13.251 -4.990 -5.715 801 2HB ALA 107 1HB ALA 107 -12.941 -4.842 -7.455 802 3HB ALA 107 3HB ALA 107 -13.827 -6.240 -6.829 803 H LYS 108 HN LYS 108 -10.948 -5.369 -8.711 804 HA LYS 108 HA LYS 108 -11.475 -7.509 -10.520 805 1HB LYS 108 1HB LYS 108 -11.045 -5.170 -11.200 806 2HB LYS 108 2HB LYS 108 -9.378 -5.304 -10.660 807 1HG LYS 108 2HG LYS 108 -9.230 -7.381 -12.260 808 2HG LYS 108 1HG LYS 108 -10.736 -6.782 -12.936 809 1HD LYS 108 1HD LYS 108 -9.626 -4.786 -13.760 810 2HD LYS 108 2HD LYS 108 -8.253 -5.060 -12.696 811 1HE LYS 108 2HE LYS 108 -7.708 -7.164 -13.874 812 2HE LYS 108 1HE LYS 108 -9.106 -6.940 -14.933 813 1HZ LYS 108 3HZ LYS 108 -6.788 -5.131 -14.752 814 2HZ LYS 108 1HZ LYS 108 -7.070 -6.216 -15.959 815 3HZ LYS 108 2HZ LYS 108 -8.082 -4.931 -15.754 816 H HIS 109 HN HIS 109 -8.336 -6.421 -9.276 817 HA HIS 109 HA HIS 109 -6.916 -8.594 -10.474 818 1HB HIS 109 2HB HIS 109 -6.166 -6.464 -8.458 819 2HB HIS 109 1HB HIS 109 -5.027 -7.647 -9.122 820 HD2 HIS 109 HD2 HIS 109 -7.021 -4.479 -10.342 821 HE1 HIS 109 HE1 HIS 109 -4.649 -5.805 -13.529 822 HE2 HIS 109 HE2 HIS 109 -6.043 -3.866 -12.660 823 H ALA 110 HN ALA 110 -8.496 -8.406 -7.316 824 HA ALA 110 HA ALA 110 -7.074 -10.631 -6.153 825 1HB ALA 110 1HB ALA 110 -9.915 -9.614 -5.703 826 2HB ALA 110 3HB ALA 110 -9.057 -10.786 -4.680 827 3HB ALA 110 2HB ALA 110 -8.463 -9.120 -4.797 828 H ALA 111 HN ALA 111 -9.773 -10.345 -8.469 829 HA ALA 111 HA ALA 111 -10.363 -13.241 -8.339 830 1HB ALA 111 2HB ALA 111 -12.224 -11.628 -8.447 831 2HB ALA 111 3HB ALA 111 -11.596 -10.987 -9.979 832 3HB ALA 111 1HB ALA 111 -12.173 -12.663 -9.889 833 H ALA 112 HN ALA 112 -9.261 -10.791 -10.685 834 HA ALA 112 HA ALA 112 -7.710 -12.806 -12.183 835 1HB ALA 112 2HB ALA 112 -9.873 -11.055 -13.434 836 2HB ALA 112 3HB ALA 112 -8.680 -12.026 -14.323 837 3HB ALA 112 1HB ALA 112 -9.896 -12.829 -13.308 No H/Q in entry = 837 Start of MODEL 8 1 1H GLY 1 1HN GLY 1 2.094 -14.122 2.054 2 2H GLY 1 3HN GLY 1 3.530 -13.973 2.796 3 3H GLY 1 2HN GLY 1 2.867 -15.470 2.635 4 1HA GLY 1 1HA GLY 1 1.252 -15.075 4.252 5 2HA GLY 1 2HA GLY 1 2.747 -14.361 4.903 6 H GLY 2 HN GLY 2 1.111 -13.035 6.172 7 1HA GLY 2 1HA GLY 2 -0.721 -11.263 4.891 8 2HA GLY 2 2HA GLY 2 -0.207 -11.255 6.584 9 H SER 3 HN SER 3 1.261 -10.505 3.389 10 HA SER 3 HA SER 3 2.738 -8.193 4.478 11 1HB SER 3 2HB SER 3 2.453 -9.510 1.766 12 2HB SER 3 1HB SER 3 3.284 -7.976 1.970 13 HG SER 3 HG SER 3 4.782 -9.562 2.207 14 H VAL 4 HN VAL 4 0.543 -7.519 5.302 15 HA VAL 4 HA VAL 4 -0.848 -5.667 3.408 16 HB VAL 4 HB VAL 4 -1.958 -7.880 3.903 17 1HG1 VAL 4 2HG22 VAL 4 -1.160 -8.122 6.268 18 2HG1 VAL 4 1HG21 VAL 4 -2.249 -6.821 6.750 19 3HG1 VAL 4 3HG23 VAL 4 -2.907 -8.323 6.085 20 1HG2 VAL 4 2HG12 VAL 4 -3.332 -5.856 3.348 21 2HG2 VAL 4 3HG13 VAL 4 -4.137 -7.147 4.243 22 3HG2 VAL 4 1HG11 VAL 4 -3.628 -5.697 5.110 23 H ILE 5 HN ILE 5 1.429 -5.049 5.077 24 HA ILE 5 HA ILE 5 0.187 -3.539 7.350 25 HB ILE 5 HB ILE 5 2.233 -3.984 8.643 26 1HG1 ILE 5 1HG11 ILE 5 2.915 -6.101 6.556 27 2HG1 ILE 5 2HG12 ILE 5 3.717 -4.521 6.646 28 1HG2 ILE 5 1HG21 ILE 5 0.123 -5.345 8.842 29 2HG2 ILE 5 3HG23 ILE 5 0.825 -6.543 7.737 30 3HG2 ILE 5 2HG22 ILE 5 1.574 -6.231 9.314 31 1HD1 ILE 5 3HD13 ILE 5 4.423 -5.029 8.978 32 2HD1 ILE 5 2HD12 ILE 5 3.738 -6.663 8.802 33 3HD1 ILE 5 1HD11 ILE 5 5.079 -6.149 7.768 34 H VAL 6 HN VAL 6 1.132 -1.724 8.064 35 HA VAL 6 HA VAL 6 2.076 0.018 5.962 36 HB VAL 6 HB VAL 6 1.272 0.372 8.878 37 1HG1 VAL 6 2HG12 VAL 6 2.319 2.483 6.961 38 2HG1 VAL 6 3HG13 VAL 6 1.351 2.850 8.404 39 3HG1 VAL 6 1HG11 VAL 6 2.930 2.080 8.574 40 1HG2 VAL 6 3HG23 VAL 6 0.030 1.251 6.232 41 2HG2 VAL 6 1HG21 VAL 6 -0.562 -0.049 7.287 42 3HG2 VAL 6 2HG22 VAL 6 -0.607 1.633 7.842 43 H ILE 7 HN ILE 7 4.089 0.708 5.619 44 HA ILE 7 HA ILE 7 6.055 1.094 7.582 45 HB ILE 7 HB ILE 7 6.220 -1.412 7.298 46 1HG1 ILE 7 2HG12 ILE 7 8.861 -0.411 6.297 47 2HG1 ILE 7 1HG11 ILE 7 8.206 0.377 7.737 48 1HG2 ILE 7 1HG21 ILE 7 5.688 -1.500 4.863 49 2HG2 ILE 7 3HG23 ILE 7 7.273 -0.797 4.493 50 3HG2 ILE 7 2HG22 ILE 7 7.168 -2.374 5.288 51 1HD1 ILE 7 2HD12 ILE 7 8.418 -2.640 7.486 52 2HD1 ILE 7 1HD11 ILE 7 9.631 -1.594 8.260 53 3HD1 ILE 7 3HD13 ILE 7 7.988 -1.695 8.921 54 H ASP 8 HN ASP 8 8.204 1.195 5.603 55 HA ASP 8 HA ASP 8 7.219 2.580 3.250 56 1HB ASP 8 2HB ASP 8 7.028 4.481 4.708 57 2HB ASP 8 1HB ASP 8 8.551 4.100 5.533 58 H SER 9 HN SER 9 10.047 2.353 5.391 59 HA SER 9 HA SER 9 12.165 2.690 4.004 60 1HB SER 9 1HB SER 9 11.895 0.127 5.597 61 2HB SER 9 2HB SER 9 13.291 1.222 5.484 62 HG SER 9 HG SER 9 12.070 1.585 7.418 63 H LYS 10 HN LYS 10 12.871 2.178 2.007 64 HA LYS 10 HA LYS 10 11.900 0.498 0.182 65 1HB LYS 10 2HB LYS 10 14.073 0.581 -0.949 66 2HB LYS 10 1HB LYS 10 13.529 2.121 -0.262 67 1HG LYS 10 1HG LYS 10 15.143 1.765 1.671 68 2HG LYS 10 2HG LYS 10 15.729 0.326 0.822 69 1HD LYS 10 1HD LYS 10 17.219 2.157 0.380 70 2HD LYS 10 2HD LYS 10 16.417 1.643 -1.104 71 1HE LYS 10 2HE LYS 10 16.640 4.106 -0.921 72 2HE LYS 10 1HE LYS 10 14.953 3.615 -1.060 73 1HZ LYS 10 3HZ LYS 10 16.341 4.313 1.440 74 2HZ LYS 10 2HZ LYS 10 15.287 5.277 0.622 75 3HZ LYS 10 1HZ LYS 10 14.754 3.882 1.314 76 H ALA 11 HN ALA 11 14.593 -0.614 2.321 77 HA ALA 11 HA ALA 11 14.748 -3.245 1.357 78 1HB ALA 11 3HB ALA 11 16.353 -2.262 2.955 79 2HB ALA 11 1HB ALA 11 15.108 -2.256 4.226 80 3HB ALA 11 2HB ALA 11 15.705 -3.796 3.571 81 H ALA 12 HN ALA 12 12.464 -1.848 3.711 82 HA ALA 12 HA ALA 12 11.297 -4.409 4.475 83 1HB ALA 12 3HB ALA 12 11.347 -2.470 6.030 84 2HB ALA 12 1HB ALA 12 10.256 -1.591 4.926 85 3HB ALA 12 2HB ALA 12 9.715 -3.089 5.699 86 H TRP 13 HN TRP 13 10.634 -1.773 2.132 87 HA TRP 13 HA TRP 13 8.040 -2.691 1.307 88 1HB TRP 13 2HB TRP 13 8.233 -0.762 0.222 89 2HB TRP 13 1HB TRP 13 9.956 -0.693 0.456 90 HD1 TRP 13 HD1 TRP 13 11.527 -1.502 -1.577 91 HE1 TRP 13 HE1 TRP 13 11.149 -1.794 -4.062 92 HE3 TRP 13 HE3 TRP 13 6.399 -1.249 -1.664 93 HZ2 TRP 13 HZ2 TRP 13 8.982 -1.701 -5.896 94 HZ3 TRP 13 HZ3 TRP 13 5.246 -1.136 -3.864 95 HH2 TRP 13 HH2 TRP 13 6.498 -1.454 -5.965 96 H ASP 14 HN ASP 14 11.306 -3.322 -0.029 97 HA ASP 14 HA ASP 14 10.554 -5.255 -1.955 98 1HB ASP 14 2HB ASP 14 13.149 -4.998 -0.363 99 2HB ASP 14 1HB ASP 14 12.928 -6.029 -1.783 100 H ALA 15 HN ALA 15 11.702 -5.733 1.384 101 HA ALA 15 HA ALA 15 11.469 -8.537 1.468 102 1HB ALA 15 2HB ALA 15 12.589 -7.172 3.216 103 2HB ALA 15 1HB ALA 15 11.001 -6.571 3.748 104 3HB ALA 15 3HB ALA 15 11.401 -8.292 3.907 105 H GLN 16 HN GLN 16 9.025 -6.055 2.247 106 HA GLN 16 HA GLN 16 7.003 -7.862 3.081 107 1HB GLN 16 2HB GLN 16 6.910 -5.480 3.629 108 2HB GLN 16 1HB GLN 16 6.619 -5.064 1.921 109 1HG GLN 16 1HG GLN 16 4.549 -6.268 1.913 110 2HG GLN 16 2HG GLN 16 4.899 -7.046 3.465 111 1HE2 GLN 16 2HE22 GLN 16 3.943 -3.207 4.275 112 2HE2 GLN 16 1HE21 GLN 16 5.456 -3.545 3.408 113 H LEU 17 HN LEU 17 7.788 -6.527 -0.249 114 HA LEU 17 HA LEU 17 5.642 -7.801 -1.566 115 1HB LEU 17 2HB LEU 17 8.487 -7.580 -2.674 116 2HB LEU 17 1HB LEU 17 6.976 -7.804 -3.526 117 HG LEU 17 HG LEU 17 8.105 -5.301 -2.321 118 1HD1 LEU 17 2HD22 LEU 17 8.622 -5.912 -4.657 119 2HD1 LEU 17 3HD23 LEU 17 6.885 -5.945 -5.030 120 3HD1 LEU 17 1HD21 LEU 17 7.664 -4.426 -4.553 121 1HD2 LEU 17 1HD11 LEU 17 5.188 -5.748 -3.081 122 2HD2 LEU 17 3HD13 LEU 17 5.828 -5.287 -1.482 123 3HD2 LEU 17 2HD12 LEU 17 5.962 -4.164 -2.844 124 H ALA 18 HN ALA 18 8.981 -8.988 -1.051 125 HA ALA 18 HA ALA 18 8.661 -11.518 -2.212 126 1HB ALA 18 2HB ALA 18 10.820 -10.491 -1.617 127 2HB ALA 18 3HB ALA 18 10.461 -10.680 0.111 128 3HB ALA 18 1HB ALA 18 10.680 -12.118 -0.913 129 H LYS 19 HN LYS 19 8.433 -10.800 1.359 130 HA LYS 19 HA LYS 19 7.705 -13.513 1.944 131 1HB LYS 19 2HB LYS 19 7.409 -12.779 4.180 132 2HB LYS 19 1HB LYS 19 8.786 -11.893 3.514 133 1HG LYS 19 2HG LYS 19 7.183 -9.970 3.105 134 2HG LYS 19 1HG LYS 19 5.926 -10.921 3.876 135 1HD LYS 19 1HD LYS 19 6.699 -9.398 5.513 136 2HD LYS 19 2HD LYS 19 7.248 -11.014 5.981 137 1HE LYS 19 2HE LYS 19 9.526 -10.482 5.095 138 2HE LYS 19 1HE LYS 19 8.942 -8.886 4.585 139 1HZ LYS 19 3HZ LYS 19 8.500 -8.385 6.869 140 2HZ LYS 19 1HZ LYS 19 9.034 -9.872 7.344 141 3HZ LYS 19 2HZ LYS 19 10.082 -8.799 6.662 142 H GLY 20 HN GLY 20 5.836 -11.072 0.372 143 1HA GLY 20 1HA GLY 20 3.259 -11.637 1.481 144 2HA GLY 20 2HA GLY 20 3.633 -10.971 -0.126 145 H LYS 21 HN LYS 21 5.386 -13.170 -0.917 146 HA LYS 21 HA LYS 21 5.255 -15.050 -2.166 147 1HB LYS 21 1HB LYS 21 3.363 -16.025 0.020 148 2HB LYS 21 2HB LYS 21 4.112 -17.025 -1.210 149 1HG LYS 21 2HG LYS 21 5.574 -15.401 0.905 150 2HG LYS 21 1HG LYS 21 5.308 -17.144 0.953 151 1HD LYS 21 1HD LYS 21 7.101 -15.564 -0.942 152 2HD LYS 21 2HD LYS 21 7.584 -16.711 0.295 153 1HE LYS 21 2HE LYS 21 6.140 -17.365 -2.313 154 2HE LYS 21 1HE LYS 21 7.813 -17.731 -1.895 155 1HZ LYS 21 3HZ LYS 21 7.014 -19.167 -0.161 156 2HZ LYS 21 1HZ LYS 21 5.447 -18.832 -0.555 157 3HZ LYS 21 2HZ LYS 21 6.414 -19.624 -1.627 158 H GLU 22 HN GLU 22 4.368 -13.692 -3.682 159 HA GLU 22 HA GLU 22 1.526 -13.464 -4.161 160 1HB GLU 22 2HB GLU 22 3.504 -11.861 -4.813 161 2HB GLU 22 1HB GLU 22 3.656 -12.871 -6.252 162 1HG GLU 22 1HG GLU 22 1.181 -11.370 -5.282 163 2HG GLU 22 2HG GLU 22 2.250 -10.868 -6.599 164 H GLU 23 HN GLU 23 1.505 -15.913 -3.875 165 HA GLU 23 HA GLU 23 2.083 -17.562 -6.199 166 1HB GLU 23 2HB GLU 23 -0.039 -18.137 -4.082 167 2HB GLU 23 1HB GLU 23 0.815 -19.277 -5.127 168 1HG GLU 23 2HG GLU 23 1.915 -17.734 -2.747 169 2HG GLU 23 1HG GLU 23 1.774 -19.474 -2.949 170 H HIS 24 HN HIS 24 -0.795 -15.918 -4.970 171 HA HIS 24 HA HIS 24 -1.875 -15.240 -7.497 172 1HB HIS 24 2HB HIS 24 -2.495 -17.630 -7.660 173 2HB HIS 24 1HB HIS 24 -3.264 -17.556 -6.070 174 HD2 HIS 24 HD2 HIS 24 -3.988 -14.649 -8.603 175 HE1 HIS 24 HE1 HIS 24 -7.416 -17.106 -8.349 176 HE2 HIS 24 HE2 HIS 24 -6.508 -14.907 -9.264 177 H LYS 25 HN LYS 25 -1.387 -13.463 -5.844 178 HA LYS 25 HA LYS 25 -3.840 -12.751 -4.348 179 1HB LYS 25 2HB LYS 25 -1.018 -12.415 -3.270 180 2HB LYS 25 1HB LYS 25 -2.512 -12.007 -2.430 181 1HG LYS 25 1HG LYS 25 -1.595 -14.821 -3.175 182 2HG LYS 25 2HG LYS 25 -1.361 -14.074 -1.610 183 1HD LYS 25 2HD LYS 25 -3.639 -14.074 -1.052 184 2HD LYS 25 1HD LYS 25 -4.188 -14.340 -2.702 185 1HE LYS 25 2HE LYS 25 -2.686 -16.367 -0.978 186 2HE LYS 25 1HE LYS 25 -4.427 -16.346 -1.308 187 1HZ LYS 25 2HZ LYS 25 -3.862 -16.535 -3.669 188 2HZ LYS 25 1HZ LYS 25 -2.291 -16.791 -3.258 189 3HZ LYS 25 3HZ LYS 25 -3.445 -17.857 -2.767 190 HA PRO 26 HA PRO 26 -2.631 -9.094 -6.768 191 1HB PRO 26 1HB PRO 26 -4.435 -7.258 -5.916 192 2HB PRO 26 2HB PRO 26 -4.928 -8.670 -6.900 193 1HG PRO 26 1HG PRO 26 -5.009 -8.423 -3.882 194 2HG PRO 26 2HG PRO 26 -6.367 -8.866 -4.940 195 1HD PRO 26 2HD PRO 26 -4.825 -10.762 -3.716 196 2HD PRO 26 1HD PRO 26 -5.345 -11.030 -5.407 197 H ILE 27 HN ILE 27 -1.068 -7.544 -6.386 198 HA ILE 27 HA ILE 27 -0.623 -6.760 -3.565 199 HB ILE 27 HB ILE 27 1.581 -7.011 -3.635 200 1HG1 ILE 27 2HG12 ILE 27 1.613 -6.491 -6.603 201 2HG1 ILE 27 1HG11 ILE 27 2.077 -5.361 -5.315 202 1HG2 ILE 27 1HG21 ILE 27 0.528 -9.231 -4.280 203 2HG2 ILE 27 3HG23 ILE 27 1.000 -8.884 -5.959 204 3HG2 ILE 27 2HG22 ILE 27 2.230 -9.066 -4.690 205 1HD1 ILE 27 1HD11 ILE 27 3.842 -7.059 -4.597 206 2HD1 ILE 27 3HD13 ILE 27 3.548 -7.879 -6.148 207 3HD1 ILE 27 2HD12 ILE 27 4.137 -6.212 -6.120 208 H VAL 28 HN VAL 28 -1.035 -4.745 -3.141 209 HA VAL 28 HA VAL 28 -1.315 -2.806 -5.398 210 HB VAL 28 HB VAL 28 -2.950 -2.893 -2.830 211 1HG1 VAL 28 1HG11 VAL 28 -2.824 -0.706 -4.012 212 2HG1 VAL 28 3HG13 VAL 28 -3.395 -1.484 -5.500 213 3HG1 VAL 28 2HG12 VAL 28 -4.452 -1.399 -4.078 214 1HG2 VAL 28 2HG22 VAL 28 -3.623 -4.125 -5.523 215 2HG2 VAL 28 3HG23 VAL 28 -3.522 -4.949 -3.954 216 3HG2 VAL 28 1HG21 VAL 28 -4.811 -3.786 -4.258 217 H VAL 29 HN VAL 29 -0.056 -0.962 -5.115 218 HA VAL 29 HA VAL 29 1.062 -0.533 -2.363 219 HB VAL 29 HB VAL 29 2.867 -1.220 -3.705 220 1HG1 VAL 29 3HG13 VAL 29 2.015 0.784 -5.792 221 2HG1 VAL 29 1HG11 VAL 29 3.510 -0.191 -5.805 222 3HG1 VAL 29 2HG12 VAL 29 1.948 -0.995 -5.939 223 1HG2 VAL 29 1HG21 VAL 29 3.274 0.768 -2.256 224 2HG2 VAL 29 2HG22 VAL 29 4.308 0.796 -3.683 225 3HG2 VAL 29 3HG23 VAL 29 2.906 1.844 -3.615 226 H ASP 30 HN ASP 30 0.863 1.335 -1.428 227 HA ASP 30 HA ASP 30 -0.633 3.522 -2.815 228 1HB ASP 30 2HB ASP 30 -1.610 2.582 -0.721 229 2HB ASP 30 1HB ASP 30 -0.163 3.032 0.158 230 H PHE 31 HN PHE 31 1.023 4.587 -3.854 231 HA PHE 31 HA PHE 31 3.522 5.302 -2.410 232 1HB PHE 31 1HB PHE 31 2.524 5.755 -5.243 233 2HB PHE 31 2HB PHE 31 4.036 6.371 -4.637 234 HD1 PHE 31 HD1 PHE 31 5.723 4.633 -3.612 235 HD2 PHE 31 HD2 PHE 31 2.523 3.643 -6.332 236 HE1 PHE 31 HE1 PHE 31 6.971 2.623 -4.363 237 HE2 PHE 31 HE2 PHE 31 3.877 1.764 -7.216 238 HZ PHE 31 HZ PHE 31 6.045 1.185 -6.174 239 H THR 32 HN THR 32 2.715 6.719 -0.824 240 HA THR 32 HA THR 32 1.249 9.154 -1.758 241 HB THR 32 HB THR 32 -0.151 7.768 -0.305 242 HG1 THR 32 HG1 THR 32 -0.640 9.350 1.144 243 1HG2 THR 32 1HG21 THR 32 2.114 7.959 1.743 244 2HG2 THR 32 2HG22 THR 32 0.484 7.331 2.056 245 3HG2 THR 32 3HG23 THR 32 1.546 6.482 0.931 246 H ALA 33 HN ALA 33 1.596 10.835 0.268 247 HA ALA 33 HA ALA 33 4.530 11.142 0.694 248 1HB ALA 33 2HB ALA 33 2.819 13.132 -0.818 249 2HB ALA 33 3HB ALA 33 4.399 13.509 -0.093 250 3HB ALA 33 1HB ALA 33 4.281 12.286 -1.368 251 H THR 34 HN THR 34 4.630 11.319 2.839 252 HA THR 34 HA THR 34 2.798 11.751 4.781 253 HB THR 34 HB THR 34 4.859 12.897 5.984 254 HG1 THR 34 HG1 THR 34 6.785 12.332 4.661 255 1HG2 THR 34 3HG23 THR 34 4.972 10.097 4.783 256 2HG2 THR 34 1HG21 THR 34 6.057 10.696 6.054 257 3HG2 THR 34 2HG22 THR 34 4.313 10.575 6.353 258 H TRP 35 HN TRP 35 4.749 14.409 3.436 259 HA TRP 35 HA TRP 35 3.467 16.479 4.906 260 1HB TRP 35 2HB TRP 35 4.596 17.982 3.275 261 2HB TRP 35 1HB TRP 35 5.647 16.795 4.034 262 HD1 TRP 35 HD1 TRP 35 6.984 15.190 2.513 263 HE1 TRP 35 HE1 TRP 35 7.412 15.064 0.001 264 HE3 TRP 35 HE3 TRP 35 3.182 18.230 0.875 265 HZ2 TRP 35 HZ2 TRP 35 6.147 15.968 -2.423 266 HZ3 TRP 35 HZ3 TRP 35 2.805 18.538 -1.550 267 HH2 TRP 35 HH2 TRP 35 4.276 17.419 -3.206 268 H CYS 36 HN CYS 36 2.383 14.897 1.933 269 HA CYS 36 HA CYS 36 0.718 17.199 1.109 270 1HB CYS 36 1HB CYS 36 1.544 15.916 -0.701 271 2HB CYS 36 2HB CYS 36 1.114 14.402 0.081 272 H GLY 37 HN GLY 37 -0.464 17.493 3.021 273 1HA GLY 37 1HA GLY 37 -1.886 16.199 4.739 274 2HA GLY 37 2HA GLY 37 -2.707 17.450 3.790 275 HA PRO 38 HA PRO 38 -5.633 14.547 2.310 276 1HB PRO 38 1HB PRO 38 -5.739 14.672 -0.450 277 2HB PRO 38 2HB PRO 38 -6.373 15.930 0.645 278 1HG PRO 38 2HG PRO 38 -3.692 15.872 -0.746 279 2HG PRO 38 1HG PRO 38 -4.847 17.232 -0.650 280 1HD PRO 38 1HD PRO 38 -2.723 17.098 1.011 281 2HD PRO 38 2HD PRO 38 -4.303 17.642 1.636 282 H CYS 39 HN CYS 39 -2.496 14.208 0.690 283 HA CYS 39 HA CYS 39 -2.928 11.508 -0.288 284 1HB CYS 39 1HB CYS 39 -0.242 12.694 0.461 285 2HB CYS 39 2HB CYS 39 -0.611 11.409 -0.671 286 H LYS 40 HN LYS 40 -1.636 13.054 2.633 287 HA LYS 40 HA LYS 40 -0.840 10.709 4.020 288 1HB LYS 40 1HB LYS 40 -0.381 13.257 4.450 289 2HB LYS 40 2HB LYS 40 -1.863 13.216 5.406 290 1HG LYS 40 2HG LYS 40 0.602 11.473 5.836 291 2HG LYS 40 1HG LYS 40 0.205 12.961 6.699 292 1HD LYS 40 1HD LYS 40 -1.962 11.829 7.474 293 2HD LYS 40 2HD LYS 40 -1.344 10.328 6.760 294 1HE LYS 40 1HE LYS 40 -0.866 10.296 9.115 295 2HE LYS 40 2HE LYS 40 0.660 10.445 8.229 296 1HZ LYS 40 3HZ LYS 40 -0.807 12.654 9.502 297 2HZ LYS 40 1HZ LYS 40 0.529 11.912 10.115 298 3HZ LYS 40 2HZ LYS 40 0.639 12.784 8.723 299 H MET 41 HN MET 41 -3.847 12.639 4.107 300 HA MET 41 HA MET 41 -5.291 10.999 5.898 301 1HB MET 41 1HB MET 41 -5.941 13.311 5.125 302 2HB MET 41 2HB MET 41 -6.392 12.631 3.558 303 1HG MET 41 2HG MET 41 -8.349 12.991 4.999 304 2HG MET 41 1HG MET 41 -8.156 11.300 4.562 305 1HE MET 41 2HE MET 41 -7.872 13.995 7.330 306 2HE MET 41 3HE MET 41 -7.431 13.050 8.772 307 3HE MET 41 1HE MET 41 -6.236 13.300 7.481 308 H ILE 42 HN ILE 42 -4.832 10.561 2.411 309 HA ILE 42 HA ILE 42 -6.706 8.386 2.189 310 HB ILE 42 HB ILE 42 -4.283 9.285 0.597 311 1HG1 ILE 42 2HG12 ILE 42 -6.548 10.532 0.625 312 2HG1 ILE 42 1HG11 ILE 42 -5.821 10.148 -0.930 313 1HG2 ILE 42 2HG22 ILE 42 -6.017 6.849 0.035 314 2HG2 ILE 42 3HG23 ILE 42 -5.019 7.677 -1.182 315 3HG2 ILE 42 1HG21 ILE 42 -4.252 6.930 0.224 316 1HD1 ILE 42 2HD12 ILE 42 -7.991 8.440 0.349 317 2HD1 ILE 42 3HD13 ILE 42 -8.300 9.749 -0.793 318 3HD1 ILE 42 1HD11 ILE 42 -7.369 8.341 -1.320 319 H ALA 43 HN ALA 43 -3.448 8.505 3.578 320 HA ALA 43 HA ALA 43 -2.744 5.819 3.207 321 1HB ALA 43 2HB ALA 43 -1.218 7.650 3.941 322 2HB ALA 43 3HB ALA 43 -1.948 7.610 5.555 323 3HB ALA 43 1HB ALA 43 -1.082 6.207 4.953 324 HA PRO 44 HA PRO 44 -4.663 4.556 7.415 325 1HB PRO 44 2HB PRO 44 -6.735 6.042 8.484 326 2HB PRO 44 1HB PRO 44 -5.018 6.235 8.937 327 1HG PRO 44 1HG PRO 44 -6.574 7.830 6.885 328 2HG PRO 44 2HG PRO 44 -5.545 8.460 8.205 329 1HD PRO 44 1HD PRO 44 -4.550 8.235 5.742 330 2HD PRO 44 2HD PRO 44 -3.555 7.714 7.121 331 H LEU 45 HN LEU 45 -6.610 6.215 4.933 332 HA LEU 45 HA LEU 45 -8.859 4.375 5.148 333 1HB LEU 45 2HB LEU 45 -7.909 6.346 3.059 334 2HB LEU 45 1HB LEU 45 -9.099 5.123 2.630 335 HG LEU 45 HG LEU 45 -10.021 7.351 3.285 336 1HD1 LEU 45 2HD22 LEU 45 -11.392 5.295 3.238 337 2HD1 LEU 45 3HD23 LEU 45 -11.011 4.994 4.946 338 3HD1 LEU 45 1HD21 LEU 45 -11.928 6.435 4.482 339 1HD2 LEU 45 3HD13 LEU 45 -8.539 7.815 5.223 340 2HD2 LEU 45 2HD12 LEU 45 -10.258 7.949 5.620 341 3HD2 LEU 45 1HD11 LEU 45 -9.344 6.523 6.140 342 H PHE 46 HN PHE 46 -5.929 4.507 3.054 343 HA PHE 46 HA PHE 46 -6.333 2.035 1.726 344 1HB PHE 46 1HB PHE 46 -4.574 3.629 1.119 345 2HB PHE 46 2HB PHE 46 -3.738 3.351 2.630 346 HD1 PHE 46 HD1 PHE 46 -4.756 1.636 -0.545 347 HD2 PHE 46 HD2 PHE 46 -2.289 1.442 2.974 348 HE1 PHE 46 HE1 PHE 46 -3.290 -0.017 -1.663 349 HE2 PHE 46 HE2 PHE 46 -0.749 -0.110 1.809 350 HZ PHE 46 HZ PHE 46 -1.223 -0.796 -0.543 351 H GLU 47 HN GLU 47 -4.752 2.726 4.892 352 HA GLU 47 HA GLU 47 -4.091 0.059 5.567 353 1HB GLU 47 2HB GLU 47 -3.355 2.153 6.743 354 2HB GLU 47 1HB GLU 47 -4.964 2.246 7.490 355 1HG GLU 47 1HG GLU 47 -4.621 0.088 8.599 356 2HG GLU 47 2HG GLU 47 -3.077 -0.129 7.757 357 H THR 48 HN THR 48 -7.146 1.884 6.087 358 HA THR 48 HA THR 48 -8.513 -0.133 7.550 359 HB THR 48 HB THR 48 -9.727 1.913 5.635 360 HG1 THR 48 HG1 THR 48 -8.369 2.829 7.285 361 1HG2 THR 48 1HG21 THR 48 -10.874 0.446 8.046 362 2HG2 THR 48 2HG22 THR 48 -11.678 1.742 7.139 363 3HG2 THR 48 3HG23 THR 48 -11.345 0.190 6.350 364 H LEU 49 HN LEU 49 -8.295 0.475 3.983 365 HA LEU 49 HA LEU 49 -9.920 -1.796 3.294 366 1HB LEU 49 2HB LEU 49 -7.964 -0.061 1.782 367 2HB LEU 49 1HB LEU 49 -8.503 -1.605 1.102 368 HG LEU 49 HG LEU 49 -10.825 -0.987 1.317 369 1HD1 LEU 49 1HD21 LEU 49 -9.808 1.769 2.132 370 2HD1 LEU 49 3HD23 LEU 49 -11.480 1.382 1.693 371 3HD1 LEU 49 2HD22 LEU 49 -10.775 0.672 3.148 372 1HD2 LEU 49 3HD13 LEU 49 -9.590 -0.591 -0.786 373 2HD2 LEU 49 2HD12 LEU 49 -10.828 0.656 -0.547 374 3HD2 LEU 49 1HD11 LEU 49 -9.127 1.027 -0.216 375 H SER 50 HN SER 50 -6.441 -1.414 3.824 376 HA SER 50 HA SER 50 -5.495 -3.982 3.099 377 1HB SER 50 1HB SER 50 -4.516 -2.549 5.613 378 2HB SER 50 2HB SER 50 -3.636 -3.625 4.559 379 HG SER 50 HG SER 50 -4.623 -1.163 3.616 380 H ASN 51 HN ASN 51 -6.752 -2.860 6.270 381 HA ASN 51 HA ASN 51 -6.818 -5.419 7.534 382 1HB ASN 51 2HB ASN 51 -6.930 -3.375 8.814 383 2HB ASN 51 1HB ASN 51 -8.413 -2.861 8.006 384 1HD2 ASN 51 2HD22 ASN 51 -10.556 -4.921 9.965 385 2HD2 ASN 51 1HD21 ASN 51 -10.443 -3.946 8.510 386 H ASP 52 HN ASP 52 -9.372 -3.609 5.783 387 HA ASP 52 HA ASP 52 -11.577 -5.226 6.173 388 1HB ASP 52 1HB ASP 52 -11.587 -3.049 4.960 389 2HB ASP 52 2HB ASP 52 -10.769 -3.817 3.579 390 H TYR 53 HN TYR 53 -9.268 -5.499 3.421 391 HA TYR 53 HA TYR 53 -10.500 -8.017 2.548 392 1HB TYR 53 1HB TYR 53 -8.146 -6.344 1.678 393 2HB TYR 53 2HB TYR 53 -8.518 -7.928 0.973 394 HD1 TYR 53 HD1 TYR 53 -9.710 -4.413 1.238 395 HD2 TYR 53 HD2 TYR 53 -10.305 -8.280 -0.572 396 HE1 TYR 53 HE1 TYR 53 -11.053 -3.369 -0.550 397 HE2 TYR 53 HE2 TYR 53 -11.652 -7.236 -2.354 398 HH TYR 53 HH TYR 53 -12.451 -5.260 -3.235 399 H ALA 54 HN ALA 54 -7.597 -7.033 4.385 400 HA ALA 54 HA ALA 54 -6.252 -8.146 5.762 401 1HB ALA 54 1HB ALA 54 -8.402 -9.312 6.462 402 2HB ALA 54 2HB ALA 54 -7.934 -10.668 5.412 403 3HB ALA 54 3HB ALA 54 -6.914 -10.205 6.782 404 H GLY 55 HN GLY 55 -5.082 -10.519 5.859 405 1HA GLY 55 1HA GLY 55 -2.928 -10.420 4.301 406 2HA GLY 55 2HA GLY 55 -3.556 -11.939 4.968 407 H LYS 56 HN LYS 56 -5.961 -11.771 2.997 408 HA LYS 56 HA LYS 56 -4.653 -13.373 0.983 409 1HB LYS 56 1HB LYS 56 -6.781 -13.669 0.011 410 2HB LYS 56 2HB LYS 56 -6.954 -13.737 1.767 411 1HG LYS 56 1HG LYS 56 -7.800 -11.331 1.693 412 2HG LYS 56 2HG LYS 56 -7.628 -11.385 -0.064 413 1HD LYS 56 2HD LYS 56 -9.921 -11.791 0.338 414 2HD LYS 56 1HD LYS 56 -9.195 -13.316 -0.175 415 1HE LYS 56 2HE LYS 56 -10.661 -13.817 1.637 416 2HE LYS 56 1HE LYS 56 -9.033 -13.965 2.292 417 1HZ LYS 56 2HZ LYS 56 -9.315 -11.677 3.148 418 2HZ LYS 56 3HZ LYS 56 -10.864 -11.683 2.611 419 3HZ LYS 56 1HZ LYS 56 -10.402 -12.745 3.781 420 H VAL 57 HN VAL 57 -5.091 -9.918 1.297 421 HA VAL 57 HA VAL 57 -4.182 -9.626 -1.550 422 HB VAL 57 HB VAL 57 -5.087 -7.412 -1.585 423 1HG1 VAL 57 3HG23 VAL 57 -6.525 -9.393 -2.281 424 2HG1 VAL 57 1HG21 VAL 57 -7.327 -9.268 -0.707 425 3HG1 VAL 57 2HG22 VAL 57 -7.418 -7.922 -1.849 426 1HG2 VAL 57 3HG13 VAL 57 -6.294 -7.986 1.145 427 2HG2 VAL 57 2HG12 VAL 57 -5.032 -6.794 0.815 428 3HG2 VAL 57 1HG11 VAL 57 -6.645 -6.591 0.121 429 H ILE 58 HN ILE 58 -2.308 -8.463 -1.815 430 HA ILE 58 HA ILE 58 -0.740 -8.042 0.673 431 HB ILE 58 HB ILE 58 0.063 -8.215 -2.253 432 1HG1 ILE 58 1HG11 ILE 58 -0.515 -10.378 -1.811 433 2HG1 ILE 58 2HG12 ILE 58 1.209 -10.351 -1.443 434 1HG2 ILE 58 3HG23 ILE 58 1.590 -6.806 -0.881 435 2HG2 ILE 58 1HG21 ILE 58 1.824 -8.177 0.197 436 3HG2 ILE 58 2HG22 ILE 58 2.360 -8.281 -1.483 437 1HD1 ILE 58 2HD12 ILE 58 0.512 -10.090 1.036 438 2HD1 ILE 58 1HD11 ILE 58 -1.127 -10.482 0.501 439 3HD1 ILE 58 3HD13 ILE 58 0.177 -11.645 0.255 440 H PHE 59 HN PHE 59 -0.462 -5.952 1.389 441 HA PHE 59 HA PHE 59 -1.058 -3.713 -0.492 442 1HB PHE 59 2HB PHE 59 -2.376 -4.260 2.172 443 2HB PHE 59 1HB PHE 59 -1.930 -2.621 1.806 444 HD1 PHE 59 HD1 PHE 59 -3.514 -5.223 -0.485 445 HD2 PHE 59 HD2 PHE 59 -3.831 -1.374 1.429 446 HE1 PHE 59 HE1 PHE 59 -5.860 -5.010 -1.226 447 HE2 PHE 59 HE2 PHE 59 -6.201 -1.283 0.878 448 HZ PHE 59 HZ PHE 59 -7.322 -3.291 -0.129 449 H LEU 60 HN LEU 60 0.474 -2.399 -0.636 450 HA LEU 60 HA LEU 60 2.637 -2.400 1.423 451 1HB LEU 60 1HB LEU 60 2.699 -1.741 -1.537 452 2HB LEU 60 2HB LEU 60 4.073 -1.920 -0.446 453 HG LEU 60 HG LEU 60 3.974 -3.764 -1.789 454 1HD1 LEU 60 3HD13 LEU 60 4.370 -4.300 0.590 455 2HD1 LEU 60 2HD12 LEU 60 2.668 -4.793 0.749 456 3HD1 LEU 60 1HD11 LEU 60 3.748 -5.682 -0.336 457 1HD2 LEU 60 1HD21 LEU 60 1.814 -3.588 -2.776 458 2HD2 LEU 60 2HD22 LEU 60 2.329 -5.227 -2.409 459 3HD2 LEU 60 3HD23 LEU 60 1.106 -4.462 -1.393 460 H LYS 61 HN LYS 61 2.365 -0.597 2.721 461 HA LYS 61 HA LYS 61 1.513 1.979 1.517 462 1HB LYS 61 2HB LYS 61 0.907 1.413 3.840 463 2HB LYS 61 1HB LYS 61 2.622 1.259 4.238 464 1HG LYS 61 1HG LYS 61 1.712 3.385 5.044 465 2HG LYS 61 2HG LYS 61 3.041 3.603 3.923 466 1HD LYS 61 1HD LYS 61 1.200 5.222 3.598 467 2HD LYS 61 2HD LYS 61 1.504 4.281 2.144 468 1HE LYS 61 1HE LYS 61 -0.907 4.623 2.653 469 2HE LYS 61 2HE LYS 61 -0.465 2.926 2.500 470 1HZ LYS 61 3HZ LYS 61 -0.685 4.296 5.086 471 2HZ LYS 61 1HZ LYS 61 -1.923 3.459 4.393 472 3HZ LYS 61 2HZ LYS 61 -0.528 2.684 4.815 473 H VAL 62 HN VAL 62 2.992 3.475 0.549 474 HA VAL 62 HA VAL 62 5.824 3.318 1.433 475 HB VAL 62 HB VAL 62 4.890 3.301 -1.483 476 1HG1 VAL 62 3HG13 VAL 62 7.639 3.440 -0.166 477 2HG1 VAL 62 1HG11 VAL 62 7.387 3.187 -1.904 478 3HG1 VAL 62 2HG12 VAL 62 6.917 4.720 -1.166 479 1HG2 VAL 62 3HG23 VAL 62 6.439 1.230 0.129 480 2HG2 VAL 62 2HG22 VAL 62 4.788 1.039 -0.498 481 3HG2 VAL 62 1HG21 VAL 62 6.140 1.193 -1.621 482 H ASP 63 HN ASP 63 6.788 5.273 1.676 483 HA ASP 63 HA ASP 63 5.137 7.693 1.146 484 1HB ASP 63 2HB ASP 63 5.777 7.472 3.460 485 2HB ASP 63 1HB ASP 63 7.481 7.264 3.014 486 H VAL 64 HN VAL 64 5.547 8.197 -0.855 487 HA VAL 64 HA VAL 64 7.681 7.919 -2.583 488 HB VAL 64 HB VAL 64 5.581 10.110 -2.225 489 1HG1 VAL 64 3HG23 VAL 64 7.374 9.685 -4.618 490 2HG1 VAL 64 1HG21 VAL 64 5.881 10.640 -4.620 491 3HG1 VAL 64 2HG22 VAL 64 7.238 11.144 -3.607 492 1HG2 VAL 64 1HG11 VAL 64 4.822 7.713 -2.677 493 2HG2 VAL 64 2HG12 VAL 64 4.338 8.879 -3.907 494 3HG2 VAL 64 3HG13 VAL 64 5.724 7.799 -4.196 495 H ASP 65 HN ASP 65 7.072 10.543 -0.237 496 HA ASP 65 HA ASP 65 9.162 12.278 -0.990 497 1HB ASP 65 2HB ASP 65 7.287 12.811 0.568 498 2HB ASP 65 1HB ASP 65 8.071 11.849 1.824 499 H ALA 66 HN ALA 66 9.155 9.750 1.600 500 HA ALA 66 HA ALA 66 11.946 10.010 2.173 501 1HB ALA 66 1HB ALA 66 9.965 7.759 2.704 502 2HB ALA 66 3HB ALA 66 11.591 7.874 3.410 503 3HB ALA 66 2HB ALA 66 10.370 9.101 3.794 504 H VAL 67 HN VAL 67 10.200 7.310 0.431 505 HA VAL 67 HA VAL 67 12.857 6.304 -0.428 506 HB VAL 67 HB VAL 67 11.705 4.450 -1.362 507 1HG1 VAL 67 3HG13 VAL 67 12.497 4.368 0.941 508 2HG1 VAL 67 2HG12 VAL 67 10.960 5.034 1.523 509 3HG1 VAL 67 1HG11 VAL 67 11.001 3.436 0.754 510 1HG2 VAL 67 3HG23 VAL 67 9.447 5.710 -1.789 511 2HG2 VAL 67 1HG21 VAL 67 9.474 4.028 -1.243 512 3HG2 VAL 67 2HG22 VAL 67 9.126 5.335 -0.085 513 H ALA 68 HN ALA 68 12.818 8.673 -1.466 514 HA ALA 68 HA ALA 68 11.638 9.267 -3.889 515 1HB ALA 68 3HB ALA 68 13.159 10.768 -2.671 516 2HB ALA 68 1HB ALA 68 14.546 9.738 -3.090 517 3HB ALA 68 2HB ALA 68 13.661 10.605 -4.365 518 H ALA 69 HN ALA 69 14.467 7.157 -3.373 519 HA ALA 69 HA ALA 69 15.173 6.630 -6.054 520 1HB ALA 69 3HB ALA 69 16.561 6.017 -4.125 521 2HB ALA 69 1HB ALA 69 15.358 4.813 -3.612 522 3HB ALA 69 2HB ALA 69 16.235 4.601 -5.142 523 H VAL 70 HN VAL 70 12.795 4.975 -3.925 524 HA VAL 70 HA VAL 70 12.184 2.891 -5.869 525 HB VAL 70 HB VAL 70 10.616 3.820 -3.425 526 1HG1 VAL 70 2HG22 VAL 70 10.515 1.208 -4.999 527 2HG1 VAL 70 3HG23 VAL 70 9.611 1.565 -3.513 528 3HG1 VAL 70 1HG21 VAL 70 9.261 2.461 -4.996 529 1HG2 VAL 70 1HG11 VAL 70 12.660 1.573 -3.725 530 2HG2 VAL 70 3HG13 VAL 70 12.915 3.068 -2.805 531 3HG2 VAL 70 2HG12 VAL 70 11.686 1.908 -2.277 532 H ALA 71 HN ALA 71 10.795 5.998 -4.805 533 HA ALA 71 HA ALA 71 8.462 5.971 -6.384 534 1HB ALA 71 1HB ALA 71 8.925 7.633 -4.617 535 2HB ALA 71 2HB ALA 71 10.168 8.388 -5.632 536 3HB ALA 71 3HB ALA 71 8.481 8.407 -6.154 537 H GLU 72 HN GLU 72 11.695 7.400 -7.272 538 HA GLU 72 HA GLU 72 10.794 8.060 -9.926 539 1HB GLU 72 1HB GLU 72 13.083 8.528 -10.455 540 2HB GLU 72 2HB GLU 72 12.689 9.179 -8.861 541 1HG GLU 72 1HG GLU 72 13.817 7.185 -7.839 542 2HG GLU 72 2HG GLU 72 14.336 6.675 -9.452 543 H ALA 73 HN ALA 73 12.460 5.134 -8.596 544 HA ALA 73 HA ALA 73 12.865 3.843 -11.085 545 1HB ALA 73 2HB ALA 73 13.844 3.067 -8.961 546 2HB ALA 73 3HB ALA 73 12.232 2.618 -8.360 547 3HB ALA 73 1HB ALA 73 12.930 1.768 -9.753 548 H ALA 74 HN ALA 74 10.035 3.732 -8.877 549 HA ALA 74 HA ALA 74 8.442 1.982 -10.501 550 1HB ALA 74 2HB ALA 74 8.068 2.326 -8.087 551 2HB ALA 74 1HB ALA 74 7.636 4.022 -8.381 552 3HB ALA 74 3HB ALA 74 6.611 2.718 -9.016 553 H GLY 75 HN GLY 75 8.894 5.483 -10.364 554 1HA GLY 75 1HA GLY 75 8.667 6.935 -12.202 555 2HA GLY 75 2HA GLY 75 7.554 5.803 -12.992 556 H ILE 76 HN ILE 76 7.594 7.222 -9.682 557 HA ILE 76 HA ILE 76 4.729 7.871 -9.899 558 HB ILE 76 HB ILE 76 6.706 8.574 -7.686 559 1HG1 ILE 76 1HG11 ILE 76 6.749 6.185 -7.999 560 2HG1 ILE 76 2HG12 ILE 76 5.907 6.562 -6.508 561 1HG2 ILE 76 2HG22 ILE 76 3.666 8.480 -7.828 562 2HG2 ILE 76 3HG23 ILE 76 4.564 8.527 -6.301 563 3HG2 ILE 76 1HG21 ILE 76 4.696 9.869 -7.435 564 1HD1 ILE 76 2HD12 ILE 76 4.570 5.804 -9.155 565 2HD1 ILE 76 3HD13 ILE 76 4.909 4.715 -7.818 566 3HD1 ILE 76 1HD11 ILE 76 3.769 6.051 -7.579 567 H THR 77 HN THR 77 3.868 9.963 -9.772 568 HA THR 77 HA THR 77 5.667 12.216 -10.588 569 HB THR 77 HB THR 77 3.760 12.955 -12.038 570 HG1 THR 77 HG1 THR 77 2.284 11.170 -12.587 571 1HG2 THR 77 1HG21 THR 77 5.717 11.703 -12.973 572 2HG2 THR 77 2HG22 THR 77 4.834 10.180 -12.749 573 3HG2 THR 77 3HG23 THR 77 4.223 11.404 -13.879 574 H ALA 78 HN ALA 78 2.200 12.046 -10.057 575 HA ALA 78 HA ALA 78 2.408 13.971 -7.777 576 1HB ALA 78 1HB ALA 78 0.824 14.496 -9.614 577 2HB ALA 78 3HB ALA 78 -0.037 12.977 -9.297 578 3HB ALA 78 2HB ALA 78 -0.004 14.252 -8.067 579 H MET 79 HN MET 79 0.526 13.371 -6.071 580 HA MET 79 HA MET 79 0.649 10.497 -5.425 581 1HB MET 79 2HB MET 79 1.403 12.731 -3.481 582 2HB MET 79 1HB MET 79 1.297 11.016 -3.104 583 1HG MET 79 2HG MET 79 3.554 11.328 -3.343 584 2HG MET 79 1HG MET 79 3.073 10.610 -4.874 585 1HE MET 79 3HE MET 79 3.893 14.003 -3.043 586 2HE MET 79 1HE MET 79 4.259 15.070 -4.415 587 3HE MET 79 2HE MET 79 2.585 14.565 -4.119 588 HA PRO 80 HA PRO 80 -0.098 9.382 -3.618 589 1HB PRO 80 2HB PRO 80 -2.096 7.717 -2.932 590 2HB PRO 80 1HB PRO 80 -1.533 9.033 -1.863 591 1HG PRO 80 1HG PRO 80 -3.938 9.042 -3.677 592 2HG PRO 80 2HG PRO 80 -3.788 9.611 -1.979 593 1HD PRO 80 1HD PRO 80 -3.670 11.258 -4.209 594 2HD PRO 80 2HD PRO 80 -2.873 11.647 -2.669 595 H THR 81 HN THR 81 0.424 7.667 -4.911 596 HA THR 81 HA THR 81 -1.118 7.289 -7.449 597 HB THR 81 HB THR 81 1.853 7.253 -6.858 598 HG1 THR 81 HG1 THR 81 1.259 9.231 -7.577 599 1HG2 THR 81 3HG23 THR 81 0.347 6.116 -9.257 600 2HG2 THR 81 1HG21 THR 81 2.064 6.559 -9.289 601 3HG2 THR 81 2HG22 THR 81 1.505 5.292 -8.180 602 H PHE 82 HN PHE 82 -1.766 5.252 -7.916 603 HA PHE 82 HA PHE 82 -1.221 3.135 -5.876 604 1HB PHE 82 2HB PHE 82 -3.760 3.963 -7.291 605 2HB PHE 82 1HB PHE 82 -3.574 2.383 -6.551 606 HD1 PHE 82 HD2 PHE 82 -2.885 2.244 -4.086 607 HD2 PHE 82 HD1 PHE 82 -4.276 5.911 -5.895 608 HE1 PHE 82 HE2 PHE 82 -3.403 3.170 -1.853 609 HE2 PHE 82 HE1 PHE 82 -4.730 6.838 -3.654 610 HZ PHE 82 HZ PHE 82 -4.173 5.482 -1.606 611 H HIS 83 HN HIS 83 -0.029 1.566 -6.769 612 HA HIS 83 HA HIS 83 -0.472 0.855 -9.663 613 1HB HIS 83 2HB HIS 83 1.905 0.299 -7.938 614 2HB HIS 83 1HB HIS 83 1.677 -0.286 -9.582 615 HD2 HIS 83 HD2 HIS 83 0.873 3.402 -9.269 616 HE1 HIS 83 HE1 HIS 83 4.844 3.083 -10.685 617 HE2 HIS 83 HE2 HIS 83 2.863 4.684 -10.425 618 H VAL 84 HN VAL 84 -0.636 -1.340 -10.114 619 HA VAL 84 HA VAL 84 -0.925 -3.220 -7.827 620 HB VAL 84 HB VAL 84 -2.773 -2.537 -10.011 621 1HG1 VAL 84 2HG12 VAL 84 -2.015 -5.365 -10.083 622 2HG1 VAL 84 3HG13 VAL 84 -3.515 -4.611 -10.694 623 3HG1 VAL 84 1HG11 VAL 84 -1.987 -4.038 -11.314 624 1HG2 VAL 84 2HG22 VAL 84 -3.278 -2.850 -7.529 625 2HG2 VAL 84 1HG21 VAL 84 -4.315 -3.847 -8.574 626 3HG2 VAL 84 3HG23 VAL 84 -2.923 -4.586 -7.747 627 H TYR 85 HN TYR 85 0.272 -5.144 -8.038 628 HA TYR 85 HA TYR 85 1.722 -5.475 -10.621 629 1HB TYR 85 1HB TYR 85 3.019 -5.323 -7.880 630 2HB TYR 85 2HB TYR 85 3.811 -6.028 -9.281 631 HD1 TYR 85 HD2 TYR 85 2.542 -2.858 -7.819 632 HD2 TYR 85 HD1 TYR 85 5.090 -4.751 -10.729 633 HE1 TYR 85 HE2 TYR 85 3.816 -0.748 -8.129 634 HE2 TYR 85 HE1 TYR 85 6.174 -2.574 -11.203 635 HH TYR 85 HH TYR 85 4.974 0.440 -9.806 636 H LYS 86 HN LYS 86 0.072 -7.203 -10.882 637 HA LYS 86 HA LYS 86 0.411 -9.566 -9.160 638 1HB LYS 86 2HB LYS 86 -0.936 -9.324 -11.889 639 2HB LYS 86 1HB LYS 86 -0.942 -10.730 -10.811 640 1HG LYS 86 1HG LYS 86 -1.906 -9.077 -9.015 641 2HG LYS 86 2HG LYS 86 -2.216 -8.022 -10.393 642 1HD LYS 86 1HD LYS 86 -4.246 -9.187 -10.036 643 2HD LYS 86 2HD LYS 86 -3.530 -9.997 -11.432 644 1HE LYS 86 1HE LYS 86 -2.783 -11.861 -10.000 645 2HE LYS 86 2HE LYS 86 -3.252 -10.968 -8.539 646 1HZ LYS 86 3HZ LYS 86 -5.524 -11.062 -9.297 647 2HZ LYS 86 1HZ LYS 86 -5.094 -11.984 -10.595 648 3HZ LYS 86 2HZ LYS 86 -4.885 -12.558 -9.078 649 H ASP 87 HN ASP 87 1.465 -11.428 -9.819 650 HA ASP 87 HA ASP 87 3.086 -12.782 -10.609 651 1HB ASP 87 2HB ASP 87 2.305 -12.358 -12.901 652 2HB ASP 87 1HB ASP 87 3.279 -10.896 -13.024 653 H GLY 88 HN GLY 88 3.975 -9.553 -11.526 654 1HA GLY 88 1HA GLY 88 5.529 -8.547 -9.556 655 2HA GLY 88 2HA GLY 88 6.679 -9.647 -10.351 656 H VAL 89 HN VAL 89 4.047 -7.786 -11.979 657 HA VAL 89 HA VAL 89 6.002 -5.948 -13.202 658 HB VAL 89 HB VAL 89 4.061 -7.721 -14.772 659 1HG1 VAL 89 1HG21 VAL 89 6.037 -5.594 -15.709 660 2HG1 VAL 89 3HG23 VAL 89 5.135 -6.690 -16.772 661 3HG1 VAL 89 2HG22 VAL 89 4.262 -5.501 -15.804 662 1HG2 VAL 89 2HG12 VAL 89 7.108 -7.763 -14.673 663 2HG2 VAL 89 3HG13 VAL 89 6.010 -9.058 -14.144 664 3HG2 VAL 89 1HG11 VAL 89 6.116 -8.642 -15.854 665 H LYS 90 HN LYS 90 4.967 -3.974 -13.729 666 HA LYS 90 HA LYS 90 2.750 -3.214 -12.180 667 1HB LYS 90 1HB LYS 90 4.557 -1.766 -13.240 668 2HB LYS 90 2HB LYS 90 3.628 -1.833 -14.748 669 1HG LYS 90 1HG LYS 90 1.640 -0.924 -13.442 670 2HG LYS 90 2HG LYS 90 2.695 -0.768 -12.033 671 1HD LYS 90 1HD LYS 90 2.989 0.691 -14.702 672 2HD LYS 90 2HD LYS 90 2.441 1.373 -13.167 673 1HE LYS 90 2HE LYS 90 4.705 0.802 -12.189 674 2HE LYS 90 1HE LYS 90 5.247 0.365 -13.816 675 1HZ LYS 90 1HZ LYS 90 4.167 2.986 -13.066 676 2HZ LYS 90 2HZ LYS 90 5.769 2.633 -13.181 677 3HZ LYS 90 3HZ LYS 90 4.808 2.569 -14.524 678 H ALA 91 HN ALA 91 0.902 -4.258 -12.348 679 HA ALA 91 HA ALA 91 -0.157 -5.398 -14.825 680 1HB ALA 91 1HB ALA 91 -0.641 -5.533 -11.897 681 2HB ALA 91 2HB ALA 91 -2.119 -5.654 -12.873 682 3HB ALA 91 3HB ALA 91 -0.780 -6.797 -13.104 683 H ASP 92 HN ASP 92 -0.900 -2.721 -12.638 684 HA ASP 92 HA ASP 92 -2.556 -1.353 -14.575 685 1HB ASP 92 2HB ASP 92 -4.007 -3.171 -13.421 686 2HB ASP 92 1HB ASP 92 -3.832 -2.233 -11.940 687 H ASP 93 HN ASP 93 -3.201 0.803 -13.524 688 HA ASP 93 HA ASP 93 -1.907 1.487 -11.103 689 1HB ASP 93 1HB ASP 93 0.111 1.454 -12.413 690 2HB ASP 93 2HB ASP 93 -0.660 2.339 -13.752 691 H LEU 94 HN LEU 94 -2.095 3.884 -10.843 692 HA LEU 94 HA LEU 94 -3.605 5.601 -12.472 693 1HB LEU 94 1HB LEU 94 -5.706 5.890 -11.310 694 2HB LEU 94 2HB LEU 94 -5.544 4.233 -11.857 695 HG LEU 94 HG LEU 94 -4.686 3.767 -9.395 696 1HD1 LEU 94 1HD11 LEU 94 -6.335 6.337 -9.048 697 2HD1 LEU 94 3HD13 LEU 94 -5.972 5.196 -7.745 698 3HD1 LEU 94 2HD12 LEU 94 -4.668 6.103 -8.496 699 1HD2 LEU 94 1HD21 LEU 94 -7.569 4.390 -10.101 700 2HD2 LEU 94 2HD22 LEU 94 -6.720 2.868 -10.439 701 3HD2 LEU 94 3HD23 LEU 94 -7.044 3.343 -8.760 702 H VAL 95 HN VAL 95 -3.928 7.740 -11.435 703 HA VAL 95 HA VAL 95 -2.228 8.168 -9.053 704 HB VAL 95 HB VAL 95 -2.445 9.877 -11.547 705 1HG1 VAL 95 2HG12 VAL 95 -0.769 10.192 -9.036 706 2HG1 VAL 95 1HG11 VAL 95 -0.544 11.119 -10.535 707 3HG1 VAL 95 3HG13 VAL 95 -2.053 11.270 -9.620 708 1HG2 VAL 95 3HG23 VAL 95 -0.140 8.119 -10.582 709 2HG2 VAL 95 2HG22 VAL 95 -1.100 7.863 -12.053 710 3HG2 VAL 95 1HG21 VAL 95 -0.044 9.273 -11.925 711 H GLY 96 HN GLY 96 -3.286 9.319 -7.472 712 1HA GLY 96 1HA GLY 96 -4.584 11.463 -7.247 713 2HA GLY 96 2HA GLY 96 -5.860 10.671 -8.191 714 H ALA 97 HN ALA 97 -6.325 11.622 -5.628 715 HA ALA 97 HA ALA 97 -6.257 9.493 -3.639 716 1HB ALA 97 1HB ALA 97 -6.127 11.895 -3.068 717 2HB ALA 97 3HB ALA 97 -7.726 12.166 -3.794 718 3HB ALA 97 2HB ALA 97 -7.569 11.175 -2.340 719 H SER 98 HN SER 98 -7.475 8.549 -6.063 720 HA SER 98 HA SER 98 -10.369 8.729 -5.866 721 1HB SER 98 1HB SER 98 -8.678 6.884 -7.596 722 2HB SER 98 2HB SER 98 -10.321 7.505 -7.894 723 HG SER 98 HG SER 98 -9.370 9.606 -8.025 724 H GLN 99 HN GLN 99 -10.196 7.948 -3.552 725 HA GLN 99 HA GLN 99 -9.556 5.425 -2.677 726 1HB GLN 99 1HB GLN 99 -10.470 7.379 -1.342 727 2HB GLN 99 2HB GLN 99 -12.081 6.972 -1.922 728 1HG GLN 99 1HG GLN 99 -11.699 6.111 0.348 729 2HG GLN 99 2HG GLN 99 -11.998 4.795 -0.789 730 1HE2 GLN 99 2HE22 GLN 99 -8.030 5.195 0.292 731 2HE2 GLN 99 1HE21 GLN 99 -8.904 6.614 -0.263 732 H ASP 100 HN ASP 100 -12.486 6.307 -4.484 733 HA ASP 100 HA ASP 100 -13.898 3.813 -4.244 734 1HB ASP 100 2HB ASP 100 -15.195 4.675 -6.125 735 2HB ASP 100 1HB ASP 100 -14.954 5.959 -4.936 736 H LYS 101 HN LYS 101 -11.615 5.166 -6.640 737 HA LYS 101 HA LYS 101 -11.766 2.908 -8.392 738 1HB LYS 101 1HB LYS 101 -10.804 5.446 -8.629 739 2HB LYS 101 2HB LYS 101 -9.279 4.574 -8.426 740 1HG LYS 101 1HG LYS 101 -11.495 4.166 -10.458 741 2HG LYS 101 2HG LYS 101 -9.877 4.807 -10.784 742 1HD LYS 101 1HD LYS 101 -9.036 2.452 -9.963 743 2HD LYS 101 2HD LYS 101 -10.697 1.927 -10.184 744 1HE LYS 101 1HE LYS 101 -8.913 3.151 -12.333 745 2HE LYS 101 2HE LYS 101 -9.341 1.442 -12.169 746 1HZ LYS 101 1HZ LYS 101 -11.631 2.039 -12.507 747 2HZ LYS 101 3HZ LYS 101 -11.231 3.631 -12.677 748 3HZ LYS 101 2HZ LYS 101 -10.703 2.526 -13.779 749 H LEU 102 HN LEU 102 -9.584 3.866 -5.764 750 HA LEU 102 HA LEU 102 -7.683 1.769 -5.856 751 1HB LEU 102 2HB LEU 102 -7.418 3.545 -4.264 752 2HB LEU 102 1HB LEU 102 -8.966 3.245 -3.534 753 HG LEU 102 HG LEU 102 -8.229 1.128 -2.569 754 1HD1 LEU 102 1HD21 LEU 102 -5.547 1.797 -3.840 755 2HD1 LEU 102 3HD23 LEU 102 -5.800 0.548 -2.600 756 3HD1 LEU 102 2HD22 LEU 102 -6.549 0.382 -4.193 757 1HD2 LEU 102 2HD12 LEU 102 -7.981 3.334 -1.421 758 2HD2 LEU 102 3HD13 LEU 102 -6.888 2.076 -0.853 759 3HD2 LEU 102 1HD11 LEU 102 -6.285 3.364 -1.930 760 H LYS 103 HN LYS 103 -10.677 1.921 -3.941 761 HA LYS 103 HA LYS 103 -10.816 -0.731 -3.074 762 1HB LYS 103 2HB LYS 103 -12.323 1.331 -2.619 763 2HB LYS 103 1HB LYS 103 -13.289 0.813 -3.989 764 1HG LYS 103 2HG LYS 103 -12.649 -0.914 -1.545 765 2HG LYS 103 1HG LYS 103 -14.089 0.104 -1.712 766 1HD LYS 103 1HD LYS 103 -14.669 -1.133 -3.826 767 2HD LYS 103 2HD LYS 103 -13.368 -2.285 -3.463 768 1HE LYS 103 2HE LYS 103 -15.752 -1.723 -1.647 769 2HE LYS 103 1HE LYS 103 -15.555 -3.129 -2.705 770 1HZ LYS 103 2HZ LYS 103 -13.581 -3.701 -1.480 771 2HZ LYS 103 3HZ LYS 103 -13.809 -2.434 -0.452 772 3HZ LYS 103 1HZ LYS 103 -14.907 -3.659 -0.500 773 H ALA 104 HN ALA 104 -12.193 0.624 -6.092 774 HA ALA 104 HA ALA 104 -13.088 -1.791 -7.229 775 1HB ALA 104 1HB ALA 104 -13.629 0.479 -8.090 776 2HB ALA 104 3HB ALA 104 -11.981 0.603 -8.740 777 3HB ALA 104 2HB ALA 104 -13.079 -0.637 -9.357 778 H LEU 105 HN LEU 105 -9.738 -0.390 -7.361 779 HA LEU 105 HA LEU 105 -8.696 -2.306 -9.215 780 1HB LEU 105 2HB LEU 105 -7.317 -0.818 -6.931 781 2HB LEU 105 1HB LEU 105 -6.492 -1.918 -8.006 782 HG LEU 105 HG LEU 105 -7.838 0.637 -8.931 783 1HD1 LEU 105 2HD22 LEU 105 -4.931 -0.098 -8.322 784 2HD1 LEU 105 3HD23 LEU 105 -5.430 1.388 -9.135 785 3HD1 LEU 105 1HD21 LEU 105 -5.924 1.094 -7.460 786 1HD2 LEU 105 3HD13 LEU 105 -5.959 -1.322 -10.333 787 2HD2 LEU 105 1HD11 LEU 105 -7.666 -1.034 -10.753 788 3HD2 LEU 105 2HD12 LEU 105 -6.471 0.248 -10.978 789 H VAL 106 HN VAL 106 -8.865 -2.268 -5.605 790 HA VAL 106 HA VAL 106 -7.536 -4.768 -5.304 791 HB VAL 106 HB VAL 106 -9.731 -3.702 -3.474 792 1HG1 VAL 106 1HG21 VAL 106 -7.351 -5.584 -3.060 793 2HG1 VAL 106 3HG23 VAL 106 -8.418 -5.011 -1.769 794 3HG1 VAL 106 2HG22 VAL 106 -9.052 -6.058 -3.049 795 1HG2 VAL 106 2HG12 VAL 106 -7.865 -1.993 -3.832 796 2HG2 VAL 106 3HG13 VAL 106 -8.047 -2.579 -2.190 797 3HG2 VAL 106 1HG11 VAL 106 -6.737 -3.202 -3.213 798 H ALA 107 HN ALA 107 -11.017 -4.037 -5.566 799 HA ALA 107 HA ALA 107 -11.983 -6.711 -5.474 800 1HB ALA 107 1HB ALA 107 -13.445 -4.723 -5.367 801 2HB ALA 107 3HB ALA 107 -13.093 -4.350 -7.066 802 3HB ALA 107 2HB ALA 107 -13.967 -5.835 -6.647 803 H LYS 108 HN LYS 108 -11.251 -4.753 -8.382 804 HA LYS 108 HA LYS 108 -11.600 -6.554 -10.488 805 1HB LYS 108 2HB LYS 108 -11.158 -4.230 -10.821 806 2HB LYS 108 1HB LYS 108 -9.558 -4.353 -10.072 807 1HG LYS 108 2HG LYS 108 -8.785 -5.856 -11.848 808 2HG LYS 108 1HG LYS 108 -10.397 -5.844 -12.576 809 1HD LYS 108 1HD LYS 108 -10.141 -3.382 -12.996 810 2HD LYS 108 2HD LYS 108 -8.548 -3.440 -12.240 811 1HE LYS 108 1HE LYS 108 -8.015 -5.321 -13.920 812 2HE LYS 108 2HE LYS 108 -9.511 -4.887 -14.748 813 1HZ LYS 108 3HZ LYS 108 -7.278 -3.019 -14.257 814 2HZ LYS 108 1HZ LYS 108 -7.587 -3.778 -15.690 815 3HZ LYS 108 2HZ LYS 108 -8.663 -2.689 -15.082 816 H HIS 109 HN HIS 109 -8.492 -5.903 -8.828 817 HA HIS 109 HA HIS 109 -7.233 -8.083 -10.265 818 1HB HIS 109 1HB HIS 109 -6.265 -6.151 -8.130 819 2HB HIS 109 2HB HIS 109 -5.235 -7.326 -8.954 820 HD2 HIS 109 HD2 HIS 109 -6.788 -3.846 -9.641 821 HE1 HIS 109 HE1 HIS 109 -5.421 -5.246 -13.348 822 HE2 HIS 109 HE2 HIS 109 -6.257 -3.215 -12.117 823 H ALA 110 HN ALA 110 -8.840 -7.900 -7.114 824 HA ALA 110 HA ALA 110 -7.681 -10.386 -6.147 825 1HB ALA 110 2HB ALA 110 -10.345 -9.038 -5.508 826 2HB ALA 110 3HB ALA 110 -9.636 -10.413 -4.642 827 3HB ALA 110 1HB ALA 110 -8.823 -8.839 -4.609 828 H ALA 111 HN ALA 111 -10.643 -9.462 -7.978 829 HA ALA 111 HA ALA 111 -11.380 -12.268 -8.474 830 1HB ALA 111 1HB ALA 111 -13.087 -10.519 -8.089 831 2HB ALA 111 3HB ALA 111 -12.514 -9.639 -9.523 832 3HB ALA 111 2HB ALA 111 -13.250 -11.247 -9.700 833 H ALA 112 HN ALA 112 -8.911 -12.316 -9.366 834 HA ALA 112 HA ALA 112 -9.037 -12.664 -12.186 835 1HB ALA 112 1HB ALA 112 -8.707 -10.177 -12.183 836 2HB ALA 112 3HB ALA 112 -7.280 -10.389 -11.143 837 3HB ALA 112 2HB ALA 112 -7.281 -11.031 -12.797 No H/Q in entry = 837 Start of MODEL 9 1 1H GLY 1 1HN GLY 1 -0.515 -9.726 3.731 2 2H GLY 1 2HN GLY 1 -1.494 -10.982 3.931 3 3H GLY 1 3HN GLY 1 -1.527 -9.866 5.065 4 1HA GLY 1 1HA GLY 1 -0.380 -11.825 5.847 5 2HA GLY 1 2HA GLY 1 0.643 -11.764 4.400 6 H GLY 2 HN GLY 2 -0.154 -9.967 7.426 7 1HA GLY 2 1HA GLY 2 1.242 -8.865 8.868 8 2HA GLY 2 2HA GLY 2 2.637 -9.365 7.895 9 H SER 3 HN SER 3 2.488 -8.249 5.529 10 HA SER 3 HA SER 3 2.818 -5.405 5.943 11 1HB SER 3 2HB SER 3 3.225 -5.725 3.350 12 2HB SER 3 1HB SER 3 4.380 -6.324 4.545 13 HG SER 3 HG SER 3 3.953 -8.307 4.023 14 H VAL 4 HN VAL 4 0.443 -5.452 6.731 15 HA VAL 4 HA VAL 4 -1.209 -4.203 4.635 16 HB VAL 4 HB VAL 4 -3.125 -5.271 6.034 17 1HG1 VAL 4 2HG12 VAL 4 -2.657 -5.938 3.705 18 2HG1 VAL 4 1HG11 VAL 4 -1.465 -7.123 4.281 19 3HG1 VAL 4 3HG13 VAL 4 -3.183 -7.307 4.689 20 1HG2 VAL 4 1HG21 VAL 4 -1.631 -6.070 7.874 21 2HG2 VAL 4 2HG22 VAL 4 -2.740 -7.285 7.222 22 3HG2 VAL 4 3HG23 VAL 4 -1.031 -7.324 6.764 23 H ILE 5 HN ILE 5 0.703 -3.161 6.434 24 HA ILE 5 HA ILE 5 -0.877 -1.434 8.244 25 HB ILE 5 HB ILE 5 0.829 -1.770 10.022 26 1HG1 ILE 5 1HG11 ILE 5 1.926 -3.997 8.239 27 2HG1 ILE 5 2HG12 ILE 5 2.730 -2.465 8.597 28 1HG2 ILE 5 3HG23 ILE 5 -1.318 -3.125 9.897 29 2HG2 ILE 5 2HG22 ILE 5 -0.352 -4.462 9.236 30 3HG2 ILE 5 1HG21 ILE 5 -0.025 -3.838 10.863 31 1HD1 ILE 5 2HD12 ILE 5 2.732 -3.065 11.026 32 2HD1 ILE 5 1HD11 ILE 5 2.095 -4.670 10.585 33 3HD1 ILE 5 3HD13 ILE 5 3.680 -4.154 9.993 34 H VAL 6 HN VAL 6 1.102 0.110 9.239 35 HA VAL 6 HA VAL 6 2.143 1.532 6.917 36 HB VAL 6 HB VAL 6 2.584 2.032 9.896 37 1HG1 VAL 6 2HG22 VAL 6 4.195 3.227 8.407 38 2HG1 VAL 6 1HG21 VAL 6 2.836 3.876 7.471 39 3HG1 VAL 6 3HG23 VAL 6 3.059 4.347 9.167 40 1HG2 VAL 6 2HG12 VAL 6 0.462 3.199 8.045 41 2HG2 VAL 6 1HG11 VAL 6 0.157 2.091 9.399 42 3HG2 VAL 6 3HG13 VAL 6 0.788 3.710 9.710 43 H ILE 7 HN ILE 7 3.252 -0.434 6.241 44 HA ILE 7 HA ILE 7 5.504 -1.451 7.732 45 HB ILE 7 HB ILE 7 4.007 -2.794 6.255 46 1HG1 ILE 7 1HG11 ILE 7 5.774 -4.052 5.006 47 2HG1 ILE 7 2HG12 ILE 7 6.943 -2.797 5.437 48 1HG2 ILE 7 2HG22 ILE 7 3.746 -1.096 4.404 49 2HG2 ILE 7 1HG21 ILE 7 5.419 -1.426 3.911 50 3HG2 ILE 7 3HG23 ILE 7 4.198 -2.706 3.841 51 1HD1 ILE 7 3HD13 ILE 7 5.357 -4.490 7.429 52 2HD1 ILE 7 2HD12 ILE 7 7.015 -4.830 6.903 53 3HD1 ILE 7 1HD11 ILE 7 6.675 -3.362 7.829 54 H ASP 8 HN ASP 8 7.738 -1.232 7.223 55 HA ASP 8 HA ASP 8 8.384 1.439 6.260 56 1HB ASP 8 1HB ASP 8 9.411 0.509 8.329 57 2HB ASP 8 2HB ASP 8 10.158 -0.790 7.379 58 H SER 9 HN SER 9 7.466 0.641 4.197 59 HA SER 9 HA SER 9 7.838 0.075 1.889 60 1HB SER 9 2HB SER 9 8.155 2.483 2.422 61 2HB SER 9 1HB SER 9 9.870 2.191 2.659 62 HG SER 9 HG SER 9 8.359 1.810 0.263 63 H LYS 10 HN LYS 10 10.776 0.947 1.275 64 HA LYS 10 HA LYS 10 11.813 -0.975 -0.065 65 1HB LYS 10 2HB LYS 10 13.910 0.002 0.236 66 2HB LYS 10 1HB LYS 10 12.648 1.263 0.387 67 1HG LYS 10 2HG LYS 10 14.344 0.057 2.641 68 2HG LYS 10 1HG LYS 10 14.623 1.579 1.826 69 1HD LYS 10 2HD LYS 10 12.616 2.580 2.713 70 2HD LYS 10 1HD LYS 10 12.079 1.059 3.425 71 1HE LYS 10 1HE LYS 10 13.011 2.459 5.139 72 2HE LYS 10 2HE LYS 10 13.992 1.004 4.938 73 1HZ LYS 10 3HZ LYS 10 14.607 3.657 3.820 74 2HZ LYS 10 1HZ LYS 10 15.312 2.983 5.149 75 3HZ LYS 10 2HZ LYS 10 15.544 2.306 3.666 76 H ALA 11 HN ALA 11 12.439 -0.918 3.433 77 HA ALA 11 HA ALA 11 14.138 -3.194 3.535 78 1HB ALA 11 2HB ALA 11 13.862 -1.591 5.414 79 2HB ALA 11 1HB ALA 11 12.195 -2.153 5.659 80 3HB ALA 11 3HB ALA 11 13.556 -3.256 5.946 81 H ALA 12 HN ALA 12 10.601 -2.938 3.546 82 HA ALA 12 HA ALA 12 10.259 -5.851 3.998 83 1HB ALA 12 2HB ALA 12 8.796 -4.253 5.143 84 2HB ALA 12 3HB ALA 12 8.257 -3.596 3.578 85 3HB ALA 12 1HB ALA 12 7.870 -5.268 4.021 86 H TRP 13 HN TRP 13 9.853 -3.378 1.522 87 HA TRP 13 HA TRP 13 8.382 -4.272 -0.474 88 1HB TRP 13 1HB TRP 13 9.676 -2.200 -0.493 89 2HB TRP 13 2HB TRP 13 11.173 -3.105 -0.720 90 HD1 TRP 13 HD1 TRP 13 11.846 -3.839 -3.100 91 HE1 TRP 13 HE1 TRP 13 10.978 -3.315 -5.466 92 HE3 TRP 13 HE3 TRP 13 7.511 -1.422 -1.870 93 HZ2 TRP 13 HZ2 TRP 13 8.751 -2.036 -6.649 94 HZ3 TRP 13 HZ3 TRP 13 6.066 -0.502 -3.649 95 HH2 TRP 13 HH2 TRP 13 6.649 -0.816 -6.045 96 H ASP 14 HN ASP 14 11.877 -5.198 -0.495 97 HA ASP 14 HA ASP 14 11.632 -6.925 -2.734 98 1HB ASP 14 1HB ASP 14 13.736 -6.024 -1.888 99 2HB ASP 14 2HB ASP 14 13.647 -7.013 -0.433 100 H ALA 15 HN ALA 15 11.904 -7.759 0.675 101 HA ALA 15 HA ALA 15 11.576 -10.541 0.507 102 1HB ALA 15 3HB ALA 15 10.600 -8.682 2.730 103 2HB ALA 15 1HB ALA 15 10.821 -10.439 2.863 104 3HB ALA 15 2HB ALA 15 12.222 -9.387 2.585 105 H GLN 16 HN GLN 16 9.089 -8.062 0.939 106 HA GLN 16 HA GLN 16 6.807 -9.756 1.023 107 1HB GLN 16 2HB GLN 16 7.352 -6.829 0.700 108 2HB GLN 16 1HB GLN 16 5.920 -7.375 -0.134 109 1HG GLN 16 2HG GLN 16 5.422 -6.591 2.137 110 2HG GLN 16 1HG GLN 16 4.904 -8.240 1.793 111 1HE2 GLN 16 2HE22 GLN 16 8.210 -8.170 4.231 112 2HE2 GLN 16 1HE21 GLN 16 8.305 -7.391 2.661 113 H LEU 17 HN LEU 17 8.217 -7.905 -1.696 114 HA LEU 17 HA LEU 17 6.527 -8.609 -3.758 115 1HB LEU 17 1HB LEU 17 8.298 -6.965 -3.905 116 2HB LEU 17 2HB LEU 17 9.559 -8.172 -3.738 117 HG LEU 17 HG LEU 17 9.328 -7.243 -5.971 118 1HD1 LEU 17 3HD13 LEU 17 10.235 -9.570 -5.615 119 2HD1 LEU 17 2HD12 LEU 17 8.661 -10.192 -6.170 120 3HD1 LEU 17 1HD11 LEU 17 9.639 -9.193 -7.240 121 1HD2 LEU 17 2HD22 LEU 17 6.896 -6.900 -6.030 122 2HD2 LEU 17 3HD23 LEU 17 7.473 -7.793 -7.451 123 3HD2 LEU 17 1HD21 LEU 17 6.653 -8.661 -6.142 124 H ALA 18 HN ALA 18 9.350 -10.501 -2.540 125 HA ALA 18 HA ALA 18 8.833 -12.601 -4.534 126 1HB ALA 18 1HB ALA 18 10.748 -12.453 -2.157 127 2HB ALA 18 2HB ALA 18 10.739 -13.716 -3.409 128 3HB ALA 18 3HB ALA 18 11.120 -12.036 -3.842 129 H LYS 19 HN LYS 19 8.822 -12.575 -0.918 130 HA LYS 19 HA LYS 19 7.831 -15.208 -0.655 131 1HB LYS 19 1HB LYS 19 7.624 -14.711 1.643 132 2HB LYS 19 2HB LYS 19 8.986 -13.758 1.070 133 1HG LYS 19 2HG LYS 19 7.996 -12.026 2.112 134 2HG LYS 19 1HG LYS 19 6.869 -11.981 0.774 135 1HD LYS 19 2HD LYS 19 5.398 -13.666 2.053 136 2HD LYS 19 1HD LYS 19 6.534 -13.509 3.400 137 1HE LYS 19 2HE LYS 19 4.689 -12.064 3.877 138 2HE LYS 19 1HE LYS 19 6.059 -11.035 3.439 139 1HZ LYS 19 1HZ LYS 19 5.083 -10.877 1.221 140 2HZ LYS 19 3HZ LYS 19 3.821 -11.820 1.692 141 3HZ LYS 19 2HZ LYS 19 4.040 -10.340 2.381 142 H GLY 20 HN GLY 20 6.150 -12.195 -1.336 143 1HA GLY 20 1HA GLY 20 3.549 -12.800 -0.528 144 2HA GLY 20 2HA GLY 20 4.024 -11.736 -1.867 145 H LYS 21 HN LYS 21 5.402 -14.034 -3.348 146 HA LYS 21 HA LYS 21 4.755 -15.292 -5.165 147 1HB LYS 21 1HB LYS 21 2.975 -16.501 -3.005 148 2HB LYS 21 2HB LYS 21 3.293 -17.240 -4.584 149 1HG LYS 21 1HG LYS 21 5.713 -17.261 -4.128 150 2HG LYS 21 2HG LYS 21 5.457 -16.555 -2.536 151 1HD LYS 21 2HD LYS 21 4.353 -19.241 -3.495 152 2HD LYS 21 1HD LYS 21 5.802 -19.038 -2.506 153 1HE LYS 21 1HE LYS 21 2.958 -18.305 -1.666 154 2HE LYS 21 2HE LYS 21 3.892 -19.700 -1.124 155 1HZ LYS 21 2HZ LYS 21 5.481 -18.204 -0.158 156 2HZ LYS 21 3HZ LYS 21 4.607 -16.890 -0.626 157 3HZ LYS 21 1HZ LYS 21 3.978 -17.952 0.464 158 H GLU 22 HN GLU 22 3.948 -13.118 -5.671 159 HA GLU 22 HA GLU 22 1.294 -12.246 -5.487 160 1HB GLU 22 1HB GLU 22 2.088 -10.453 -6.924 161 2HB GLU 22 2HB GLU 22 3.291 -10.842 -5.701 162 1HG GLU 22 2HG GLU 22 3.578 -12.174 -8.394 163 2HG GLU 22 1HG GLU 22 3.903 -10.445 -8.269 164 H GLU 23 HN GLU 23 1.378 -14.928 -6.918 165 HA GLU 23 HA GLU 23 0.562 -14.304 -9.684 166 1HB GLU 23 1HB GLU 23 0.647 -16.933 -8.122 167 2HB GLU 23 2HB GLU 23 0.211 -16.742 -9.826 168 1HG GLU 23 1HG GLU 23 2.501 -17.420 -9.768 169 2HG GLU 23 2HG GLU 23 2.479 -15.722 -10.254 170 H HIS 24 HN HIS 24 -0.932 -15.899 -6.836 171 HA HIS 24 HA HIS 24 -3.622 -14.868 -7.665 172 1HB HIS 24 2HB HIS 24 -3.454 -17.311 -7.818 173 2HB HIS 24 1HB HIS 24 -2.840 -17.392 -6.161 174 HD2 HIS 24 HD2 HIS 24 -5.882 -15.039 -6.614 175 HE1 HIS 24 HE1 HIS 24 -7.132 -18.528 -4.592 176 HE2 HIS 24 HE2 HIS 24 -7.733 -16.098 -5.115 177 H LYS 25 HN LYS 25 -1.607 -13.323 -6.277 178 HA LYS 25 HA LYS 25 -3.085 -12.803 -3.780 179 1HB LYS 25 2HB LYS 25 -0.119 -13.360 -3.925 180 2HB LYS 25 1HB LYS 25 -0.899 -12.511 -2.578 181 1HG LYS 25 1HG LYS 25 -2.354 -14.429 -2.141 182 2HG LYS 25 2HG LYS 25 -1.652 -15.323 -3.502 183 1HD LYS 25 2HD LYS 25 0.477 -15.461 -2.524 184 2HD LYS 25 1HD LYS 25 0.026 -14.416 -1.155 185 1HE LYS 25 2HE LYS 25 -1.581 -16.105 -0.368 186 2HE LYS 25 1HE LYS 25 -1.316 -17.081 -1.826 187 1HZ LYS 25 2HZ LYS 25 0.941 -17.396 -1.131 188 2HZ LYS 25 1HZ LYS 25 0.703 -16.486 0.222 189 3HZ LYS 25 3HZ LYS 25 -0.097 -17.918 0.039 190 HA PRO 26 HA PRO 26 -2.218 -8.832 -5.845 191 1HB PRO 26 1HB PRO 26 -3.896 -7.243 -4.448 192 2HB PRO 26 2HB PRO 26 -4.522 -8.506 -5.549 193 1HG PRO 26 1HG PRO 26 -4.146 -8.694 -2.552 194 2HG PRO 26 2HG PRO 26 -5.600 -9.124 -3.484 195 1HD PRO 26 2HD PRO 26 -3.764 -10.967 -2.728 196 2HD PRO 26 1HD PRO 26 -4.626 -11.121 -4.283 197 H ILE 27 HN ILE 27 -0.340 -7.881 -5.572 198 HA ILE 27 HA ILE 27 0.403 -6.961 -2.846 199 HB ILE 27 HB ILE 27 2.653 -7.068 -3.360 200 1HG1 ILE 27 2HG12 ILE 27 2.037 -7.939 -6.212 201 2HG1 ILE 27 1HG11 ILE 27 2.604 -6.328 -5.720 202 1HG2 ILE 27 1HG21 ILE 27 1.313 -9.249 -2.885 203 2HG2 ILE 27 3HG23 ILE 27 1.542 -9.635 -4.584 204 3HG2 ILE 27 2HG22 ILE 27 2.951 -9.450 -3.515 205 1HD1 ILE 27 3HD13 ILE 27 4.659 -7.205 -4.815 206 2HD1 ILE 27 1HD11 ILE 27 4.212 -8.855 -5.284 207 3HD1 ILE 27 2HD12 ILE 27 4.472 -7.631 -6.528 208 H VAL 28 HN VAL 28 -0.153 -4.937 -2.625 209 HA VAL 28 HA VAL 28 -0.441 -3.151 -4.989 210 HB VAL 28 HB VAL 28 -2.107 -3.234 -2.434 211 1HG1 VAL 28 1HG11 VAL 28 -2.463 -1.664 -5.025 212 2HG1 VAL 28 3HG13 VAL 28 -3.623 -1.715 -3.687 213 3HG1 VAL 28 2HG12 VAL 28 -2.031 -0.988 -3.448 214 1HG2 VAL 28 2HG22 VAL 28 -2.857 -4.236 -5.207 215 2HG2 VAL 28 3HG23 VAL 28 -2.638 -5.234 -3.751 216 3HG2 VAL 28 1HG21 VAL 28 -3.964 -4.072 -3.831 217 H VAL 29 HN VAL 29 0.248 -0.989 -4.585 218 HA VAL 29 HA VAL 29 1.362 -0.448 -1.891 219 HB VAL 29 HB VAL 29 3.296 -1.128 -3.254 220 1HG1 VAL 29 1HG11 VAL 29 2.382 -0.550 -5.481 221 2HG1 VAL 29 2HG12 VAL 29 2.645 1.169 -5.039 222 3HG1 VAL 29 3HG13 VAL 29 4.022 0.055 -5.188 223 1HG2 VAL 29 2HG22 VAL 29 3.191 1.905 -2.762 224 2HG2 VAL 29 3HG23 VAL 29 3.709 0.676 -1.593 225 3HG2 VAL 29 1HG21 VAL 29 4.656 0.994 -3.043 226 H ASP 30 HN ASP 30 1.065 1.491 -1.152 227 HA ASP 30 HA ASP 30 -0.523 3.508 -2.690 228 1HB ASP 30 1HB ASP 30 -1.802 2.821 -0.809 229 2HB ASP 30 2HB ASP 30 -0.381 2.674 0.220 230 H PHE 31 HN PHE 31 1.164 4.694 -3.609 231 HA PHE 31 HA PHE 31 3.465 5.530 -1.907 232 1HB PHE 31 1HB PHE 31 2.836 5.893 -4.868 233 2HB PHE 31 2HB PHE 31 4.216 6.575 -4.054 234 HD1 PHE 31 HD2 PHE 31 5.947 5.027 -2.976 235 HD2 PHE 31 HD1 PHE 31 2.964 3.688 -5.787 236 HE1 PHE 31 HE2 PHE 31 7.514 3.312 -3.822 237 HE2 PHE 31 HE1 PHE 31 4.572 2.028 -6.687 238 HZ PHE 31 HZ PHE 31 6.866 1.891 -5.782 239 H THR 32 HN THR 32 2.467 7.050 -0.520 240 HA THR 32 HA THR 32 1.088 9.382 -1.833 241 HB THR 32 HB THR 32 -0.474 8.046 -0.535 242 HG1 THR 32 HG1 THR 32 -1.237 9.770 0.662 243 1HG2 THR 32 2HG22 THR 32 1.330 8.661 1.852 244 2HG2 THR 32 1HG21 THR 32 -0.288 7.924 1.915 245 3HG2 THR 32 3HG23 THR 32 1.041 7.048 1.147 246 H ALA 33 HN ALA 33 1.140 11.047 0.361 247 HA ALA 33 HA ALA 33 4.003 11.559 0.937 248 1HB ALA 33 1HB ALA 33 2.178 13.457 -0.597 249 2HB ALA 33 2HB ALA 33 3.749 13.915 0.093 250 3HB ALA 33 3HB ALA 33 3.671 12.698 -1.186 251 H THR 34 HN THR 34 4.138 13.579 2.309 252 HA THR 34 HA THR 34 2.111 13.445 4.487 253 HB THR 34 HB THR 34 3.934 14.582 5.769 254 HG1 THR 34 HG1 THR 34 5.564 14.041 3.492 255 1HG2 THR 34 1HG21 THR 34 3.756 12.107 5.780 256 2HG2 THR 34 2HG22 THR 34 4.804 12.013 4.350 257 3HG2 THR 34 3HG23 THR 34 5.448 12.633 5.880 258 H TRP 35 HN TRP 35 4.209 15.939 3.134 259 HA TRP 35 HA TRP 35 2.891 18.245 3.799 260 1HB TRP 35 1HB TRP 35 4.034 19.287 1.868 261 2HB TRP 35 2HB TRP 35 5.087 18.223 2.794 262 HD1 TRP 35 HD1 TRP 35 6.133 16.169 1.580 263 HE1 TRP 35 HE1 TRP 35 6.092 15.224 -0.791 264 HE3 TRP 35 HE3 TRP 35 2.541 19.223 -0.446 265 HZ2 TRP 35 HZ2 TRP 35 4.746 15.773 -3.278 266 HZ3 TRP 35 HZ3 TRP 35 1.900 18.973 -2.820 267 HH2 TRP 35 HH2 TRP 35 3.008 17.275 -4.251 268 H CYS 36 HN CYS 36 1.822 16.003 1.312 269 HA CYS 36 HA CYS 36 0.138 17.700 -0.207 270 1HB CYS 36 2HB CYS 36 -0.953 15.750 -0.940 271 2HB CYS 36 1HB CYS 36 0.725 15.268 -0.704 272 H GLY 37 HN GLY 37 -0.174 16.657 3.125 273 1HA GLY 37 1HA GLY 37 -1.723 17.150 4.711 274 2HA GLY 37 2HA GLY 37 -2.321 18.408 3.621 275 HA PRO 38 HA PRO 38 -6.181 16.115 3.706 276 1HB PRO 38 1HB PRO 38 -6.196 17.111 0.832 277 2HB PRO 38 2HB PRO 38 -7.590 16.947 1.943 278 1HG PRO 38 1HG PRO 38 -6.381 19.352 1.710 279 2HG PRO 38 2HG PRO 38 -6.755 18.724 3.343 280 1HD PRO 38 1HD PRO 38 -4.108 18.776 1.919 281 2HD PRO 38 2HD PRO 38 -4.477 19.037 3.647 282 H CYS 39 HN CYS 39 -4.151 15.616 0.806 283 HA CYS 39 HA CYS 39 -5.330 13.232 -0.094 284 1HB CYS 39 1HB CYS 39 -3.725 13.197 -1.603 285 2HB CYS 39 2HB CYS 39 -3.205 14.742 -0.953 286 H LYS 40 HN LYS 40 -3.125 13.690 2.631 287 HA LYS 40 HA LYS 40 -2.185 11.051 2.934 288 1HB LYS 40 2HB LYS 40 -1.655 13.387 4.135 289 2HB LYS 40 1HB LYS 40 -2.783 12.771 5.347 290 1HG LYS 40 1HG LYS 40 -0.154 11.575 4.352 291 2HG LYS 40 2HG LYS 40 -0.456 12.351 5.910 292 1HD LYS 40 1HD LYS 40 -2.111 10.457 6.406 293 2HD LYS 40 2HD LYS 40 -1.495 9.669 4.934 294 1HE LYS 40 2HE LYS 40 0.816 9.752 5.868 295 2HE LYS 40 1HE LYS 40 0.171 10.453 7.363 296 1HZ LYS 40 2HZ LYS 40 -0.543 7.823 6.271 297 2HZ LYS 40 1HZ LYS 40 0.466 8.103 7.545 298 3HZ LYS 40 3HZ LYS 40 -1.133 8.482 7.660 299 H MET 41 HN MET 41 -5.358 12.450 3.615 300 HA MET 41 HA MET 41 -6.319 10.671 5.576 301 1HB MET 41 1HB MET 41 -8.481 11.439 4.992 302 2HB MET 41 2HB MET 41 -7.388 12.789 4.719 303 1HG MET 41 2HG MET 41 -8.686 12.908 2.821 304 2HG MET 41 1HG MET 41 -7.366 11.913 2.217 305 1HE MET 41 1HE MET 41 -11.024 12.157 3.324 306 2HE MET 41 3HE MET 41 -11.683 10.539 3.001 307 3HE MET 41 2HE MET 41 -10.619 10.793 4.400 308 H ILE 42 HN ILE 42 -5.681 10.053 2.173 309 HA ILE 42 HA ILE 42 -7.472 7.788 1.955 310 HB ILE 42 HB ILE 42 -5.027 8.657 0.358 311 1HG1 ILE 42 1HG11 ILE 42 -8.048 8.925 -0.059 312 2HG1 ILE 42 2HG12 ILE 42 -6.924 10.232 0.329 313 1HG2 ILE 42 2HG22 ILE 42 -7.058 6.433 -0.136 314 2HG2 ILE 42 1HG21 ILE 42 -5.960 7.063 -1.371 315 3HG2 ILE 42 3HG23 ILE 42 -5.302 6.260 0.046 316 1HD1 ILE 42 3HD13 ILE 42 -5.738 9.799 -1.835 317 2HD1 ILE 42 1HD11 ILE 42 -7.070 8.692 -2.278 318 3HD1 ILE 42 2HD12 ILE 42 -7.411 10.390 -1.952 319 H ALA 43 HN ALA 43 -4.226 8.229 3.300 320 HA ALA 43 HA ALA 43 -3.280 5.591 3.045 321 1HB ALA 43 2HB ALA 43 -1.857 7.432 3.716 322 2HB ALA 43 1HB ALA 43 -2.712 7.616 5.254 323 3HB ALA 43 3HB ALA 43 -1.791 6.137 4.929 324 HA PRO 44 HA PRO 44 -5.152 4.346 7.284 325 1HB PRO 44 2HB PRO 44 -7.328 5.754 8.284 326 2HB PRO 44 1HB PRO 44 -5.628 6.014 8.766 327 1HG PRO 44 2HG PRO 44 -7.210 7.527 6.682 328 2HG PRO 44 1HG PRO 44 -6.201 8.205 7.991 329 1HD PRO 44 2HD PRO 44 -5.173 8.001 5.533 330 2HD PRO 44 1HD PRO 44 -4.191 7.491 6.929 331 H LEU 45 HN LEU 45 -7.322 5.819 4.874 332 HA LEU 45 HA LEU 45 -9.422 3.845 5.140 333 1HB LEU 45 1HB LEU 45 -8.574 5.615 2.807 334 2HB LEU 45 2HB LEU 45 -9.999 4.588 2.778 335 HG LEU 45 HG LEU 45 -9.499 6.836 4.799 336 1HD1 LEU 45 3HD13 LEU 45 -9.805 7.698 2.520 337 2HD1 LEU 45 2HD12 LEU 45 -11.301 6.754 2.343 338 3HD1 LEU 45 1HD11 LEU 45 -11.208 8.074 3.530 339 1HD2 LEU 45 1HD21 LEU 45 -11.963 5.113 4.256 340 2HD2 LEU 45 3HD23 LEU 45 -11.031 5.187 5.769 341 3HD2 LEU 45 2HD22 LEU 45 -11.964 6.585 5.246 342 H PHE 46 HN PHE 46 -6.639 4.128 2.925 343 HA PHE 46 HA PHE 46 -6.940 1.644 1.579 344 1HB PHE 46 1HB PHE 46 -5.469 3.456 0.873 345 2HB PHE 46 2HB PHE 46 -4.473 3.281 2.306 346 HD1 PHE 46 HD2 PHE 46 -5.438 1.633 -0.889 347 HD2 PHE 46 HD1 PHE 46 -2.761 1.608 2.487 348 HE1 PHE 46 HE2 PHE 46 -3.866 0.175 -2.139 349 HE2 PHE 46 HE1 PHE 46 -1.197 0.140 1.248 350 HZ PHE 46 HZ PHE 46 -1.724 -0.548 -1.086 351 H GLU 47 HN GLU 47 -5.245 2.520 4.614 352 HA GLU 47 HA GLU 47 -4.277 -0.050 5.242 353 1HB GLU 47 1HB GLU 47 -3.947 2.408 6.354 354 2HB GLU 47 2HB GLU 47 -5.146 1.756 7.479 355 1HG GLU 47 2HG GLU 47 -3.009 1.224 8.385 356 2HG GLU 47 1HG GLU 47 -3.589 -0.297 7.692 357 H THR 48 HN THR 48 -7.460 1.460 5.873 358 HA THR 48 HA THR 48 -8.465 -0.597 7.578 359 HB THR 48 HB THR 48 -10.060 1.153 5.650 360 HG1 THR 48 HG1 THR 48 -8.662 2.288 7.179 361 1HG2 THR 48 1HG21 THR 48 -10.831 -0.270 8.230 362 2HG2 THR 48 3HG23 THR 48 -11.858 0.845 7.309 363 3HG2 THR 48 2HG22 THR 48 -11.382 -0.706 6.596 364 H LEU 49 HN LEU 49 -8.590 -0.193 3.967 365 HA LEU 49 HA LEU 49 -9.928 -2.710 3.526 366 1HB LEU 49 1HB LEU 49 -8.194 -0.949 1.760 367 2HB LEU 49 2HB LEU 49 -8.662 -2.572 1.261 368 HG LEU 49 HG LEU 49 -11.011 -2.093 1.507 369 1HD1 LEU 49 1HD21 LEU 49 -10.187 0.770 2.132 370 2HD1 LEU 49 3HD23 LEU 49 -11.837 0.224 1.769 371 3HD1 LEU 49 2HD22 LEU 49 -11.037 -0.345 3.233 372 1HD2 LEU 49 1HD11 LEU 49 -9.925 -1.732 -0.667 373 2HD2 LEU 49 3HD13 LEU 49 -11.230 -0.565 -0.432 374 3HD2 LEU 49 2HD12 LEU 49 -9.540 -0.055 -0.222 375 H SER 50 HN SER 50 -6.484 -1.821 3.715 376 HA SER 50 HA SER 50 -5.300 -4.303 3.202 377 1HB SER 50 2HB SER 50 -4.337 -2.470 5.452 378 2HB SER 50 1HB SER 50 -3.426 -3.594 4.483 379 HG SER 50 HG SER 50 -4.753 -1.350 3.354 380 H ASN 51 HN ASN 51 -6.481 -3.082 6.359 381 HA ASN 51 HA ASN 51 -6.014 -5.500 7.810 382 1HB ASN 51 1HB ASN 51 -6.387 -3.081 8.644 383 2HB ASN 51 2HB ASN 51 -8.115 -3.400 8.478 384 1HD2 ASN 51 2HD22 ASN 51 -7.574 -6.107 11.153 385 2HD2 ASN 51 1HD21 ASN 51 -7.960 -6.287 9.452 386 H ASP 52 HN ASP 52 -8.832 -4.279 5.953 387 HA ASP 52 HA ASP 52 -10.762 -6.135 6.839 388 1HB ASP 52 1HB ASP 52 -11.259 -4.139 5.429 389 2HB ASP 52 2HB ASP 52 -10.460 -4.923 4.046 390 H TYR 53 HN TYR 53 -8.444 -6.349 4.098 391 HA TYR 53 HA TYR 53 -9.307 -9.081 3.458 392 1HB TYR 53 1HB TYR 53 -7.150 -7.204 2.467 393 2HB TYR 53 2HB TYR 53 -7.234 -8.904 1.985 394 HD1 TYR 53 HD1 TYR 53 -8.979 -9.765 0.535 395 HD2 TYR 53 HD2 TYR 53 -8.946 -5.616 1.692 396 HE1 TYR 53 HE1 TYR 53 -10.440 -9.207 -1.373 397 HE2 TYR 53 HE2 TYR 53 -10.368 -5.051 -0.238 398 HH TYR 53 HH TYR 53 -11.088 -7.486 -2.762 399 H ALA 54 HN ALA 54 -6.379 -7.585 4.871 400 HA ALA 54 HA ALA 54 -4.733 -8.276 6.195 401 1HB ALA 54 1HB ALA 54 -6.556 -8.621 7.758 402 2HB ALA 54 2HB ALA 54 -6.820 -10.273 7.172 403 3HB ALA 54 3HB ALA 54 -5.313 -9.850 8.003 404 H GLY 55 HN GLY 55 -6.199 -11.366 5.260 405 1HA GLY 55 1HA GLY 55 -3.912 -12.970 5.700 406 2HA GLY 55 2HA GLY 55 -5.375 -13.422 4.816 407 H LYS 56 HN LYS 56 -5.238 -13.699 2.608 408 HA LYS 56 HA LYS 56 -2.584 -13.936 1.511 409 1HB LYS 56 2HB LYS 56 -3.738 -14.965 -0.339 410 2HB LYS 56 1HB LYS 56 -4.280 -15.634 1.192 411 1HG LYS 56 2HG LYS 56 -6.379 -14.335 1.063 412 2HG LYS 56 1HG LYS 56 -5.864 -13.583 -0.442 413 1HD LYS 56 1HD LYS 56 -6.303 -16.572 -0.006 414 2HD LYS 56 2HD LYS 56 -7.464 -15.469 -0.750 415 1HE LYS 56 2HE LYS 56 -4.713 -16.128 -1.911 416 2HE LYS 56 1HE LYS 56 -6.259 -16.792 -2.432 417 1HZ LYS 56 3HZ LYS 56 -5.669 -13.927 -2.488 418 2HZ LYS 56 1HZ LYS 56 -5.453 -14.950 -3.756 419 3HZ LYS 56 2HZ LYS 56 -6.967 -14.719 -3.153 420 H VAL 57 HN VAL 57 -2.742 -11.278 1.951 421 HA VAL 57 HA VAL 57 -2.660 -10.114 -0.773 422 HB VAL 57 HB VAL 57 -3.933 -8.165 -0.067 423 1HG1 VAL 57 1HG21 VAL 57 -5.194 -10.168 -1.010 424 2HG1 VAL 57 2HG22 VAL 57 -5.662 -10.564 0.651 425 3HG1 VAL 57 3HG23 VAL 57 -6.154 -9.021 -0.075 426 1HG2 VAL 57 3HG13 VAL 57 -3.410 -8.172 2.371 427 2HG2 VAL 57 2HG12 VAL 57 -5.128 -8.072 2.096 428 3HG2 VAL 57 1HG11 VAL 57 -4.421 -9.616 2.583 429 H ILE 58 HN ILE 58 -1.399 -8.113 -0.865 430 HA ILE 58 HA ILE 58 0.068 -7.393 1.646 431 HB ILE 58 HB ILE 58 1.286 -8.003 -1.078 432 1HG1 ILE 58 2HG12 ILE 58 2.935 -9.138 0.726 433 2HG1 ILE 58 1HG11 ILE 58 1.463 -9.205 1.684 434 1HG2 ILE 58 3HG23 ILE 58 2.518 -6.519 1.262 435 2HG2 ILE 58 1HG21 ILE 58 3.402 -7.115 -0.161 436 3HG2 ILE 58 2HG22 ILE 58 2.181 -5.869 -0.359 437 1HD1 ILE 58 1HD11 ILE 58 0.411 -10.444 -0.342 438 2HD1 ILE 58 3HD13 ILE 58 2.038 -10.444 -1.042 439 3HD1 ILE 58 2HD12 ILE 58 1.732 -11.284 0.485 440 H PHE 59 HN PHE 59 -0.209 -5.304 2.064 441 HA PHE 59 HA PHE 59 -0.947 -3.392 -0.135 442 1HB PHE 59 2HB PHE 59 -2.153 -3.754 2.605 443 2HB PHE 59 1HB PHE 59 -2.189 -2.226 1.764 444 HD1 PHE 59 HD1 PHE 59 -3.130 -5.840 1.084 445 HD2 PHE 59 HD2 PHE 59 -4.153 -1.665 0.708 446 HE1 PHE 59 HE1 PHE 59 -5.472 -6.439 0.497 447 HE2 PHE 59 HE2 PHE 59 -6.462 -2.275 0.141 448 HZ PHE 59 HZ PHE 59 -7.172 -4.667 0.213 449 H LEU 60 HN LEU 60 1.147 -2.621 -0.297 450 HA LEU 60 HA LEU 60 2.755 -1.926 2.039 451 1HB LEU 60 1HB LEU 60 3.123 -1.473 -0.938 452 2HB LEU 60 2HB LEU 60 4.370 -1.197 0.295 453 HG LEU 60 HG LEU 60 3.092 -3.837 -0.531 454 1HD1 LEU 60 1HD21 LEU 60 4.679 -2.865 -2.174 455 2HD1 LEU 60 2HD22 LEU 60 5.921 -2.802 -0.902 456 3HD1 LEU 60 3HD23 LEU 60 5.289 -4.364 -1.456 457 1HD2 LEU 60 2HD12 LEU 60 5.287 -3.279 1.523 458 2HD2 LEU 60 3HD13 LEU 60 3.688 -4.005 1.835 459 3HD2 LEU 60 1HD11 LEU 60 4.883 -4.876 0.864 460 H LYS 61 HN LYS 61 1.933 -0.194 3.201 461 HA LYS 61 HA LYS 61 1.077 2.298 1.865 462 1HB LYS 61 1HB LYS 61 -0.085 1.972 3.833 463 2HB LYS 61 2HB LYS 61 1.280 1.222 4.653 464 1HG LYS 61 1HG LYS 61 0.737 3.311 5.663 465 2HG LYS 61 2HG LYS 61 2.374 3.331 5.017 466 1HD LYS 61 1HD LYS 61 1.499 4.685 3.047 467 2HD LYS 61 2HD LYS 61 -0.103 4.656 3.795 468 1HE LYS 61 2HE LYS 61 0.798 5.795 5.805 469 2HE LYS 61 1HE LYS 61 2.443 5.707 5.147 470 1HZ LYS 61 2HZ LYS 61 0.235 7.208 3.952 471 2HZ LYS 61 1HZ LYS 61 1.492 7.843 4.812 472 3HZ LYS 61 3HZ LYS 61 1.772 7.105 3.367 473 H VAL 62 HN VAL 62 2.616 3.702 1.003 474 HA VAL 62 HA VAL 62 5.264 3.876 2.341 475 HB VAL 62 HB VAL 62 4.712 3.285 -0.612 476 1HG1 VAL 62 2HG12 VAL 62 7.337 4.021 0.743 477 2HG1 VAL 62 1HG11 VAL 62 7.167 3.395 -0.912 478 3HG1 VAL 62 3HG13 VAL 62 6.521 4.979 -0.509 479 1HG2 VAL 62 3HG23 VAL 62 6.153 1.814 1.641 480 2HG2 VAL 62 1HG21 VAL 62 4.732 1.271 0.751 481 3HG2 VAL 62 2HG22 VAL 62 6.291 1.359 -0.069 482 H ASP 63 HN ASP 63 6.356 5.771 2.081 483 HA ASP 63 HA ASP 63 4.731 8.143 1.278 484 1HB ASP 63 1HB ASP 63 5.117 8.096 3.655 485 2HB ASP 63 2HB ASP 63 6.838 7.743 3.425 486 H VAL 64 HN VAL 64 5.455 8.919 -0.652 487 HA VAL 64 HA VAL 64 7.966 8.202 -1.826 488 HB VAL 64 HB VAL 64 7.493 9.843 -3.517 489 1HG1 VAL 64 2HG12 VAL 64 6.201 7.757 -3.591 490 2HG1 VAL 64 3HG13 VAL 64 4.876 8.530 -2.687 491 3HG1 VAL 64 1HG11 VAL 64 5.315 9.124 -4.293 492 1HG2 VAL 64 3HG23 VAL 64 5.329 10.988 -1.718 493 2HG2 VAL 64 2HG22 VAL 64 6.791 11.803 -2.303 494 3HG2 VAL 64 1HG21 VAL 64 5.530 11.347 -3.443 495 H ASP 65 HN ASP 65 7.030 10.798 0.388 496 HA ASP 65 HA ASP 65 9.223 12.573 -0.134 497 1HB ASP 65 1HB ASP 65 7.777 12.173 2.509 498 2HB ASP 65 2HB ASP 65 8.686 13.583 1.973 499 H ALA 66 HN ALA 66 8.815 9.614 1.773 500 HA ALA 66 HA ALA 66 11.431 9.895 3.108 501 1HB ALA 66 2HB ALA 66 9.545 8.923 4.346 502 2HB ALA 66 1HB ALA 66 9.372 7.638 3.134 503 3HB ALA 66 3HB ALA 66 10.845 7.736 4.120 504 H VAL 67 HN VAL 67 9.873 7.399 0.957 505 HA VAL 67 HA VAL 67 12.623 6.511 0.233 506 HB VAL 67 HB VAL 67 11.582 4.672 -0.887 507 1HG1 VAL 67 3HG13 VAL 67 12.314 4.681 1.517 508 2HG1 VAL 67 2HG12 VAL 67 10.621 4.947 1.982 509 3HG1 VAL 67 1HG11 VAL 67 11.100 3.477 1.101 510 1HG2 VAL 67 1HG21 VAL 67 9.304 5.736 -1.390 511 2HG2 VAL 67 3HG23 VAL 67 9.296 4.122 -0.684 512 3HG2 VAL 67 2HG22 VAL 67 8.947 5.543 0.334 513 H ALA 68 HN ALA 68 12.696 8.841 -0.669 514 HA ALA 68 HA ALA 68 11.631 9.578 -3.129 515 1HB ALA 68 1HB ALA 68 13.140 10.995 -1.793 516 2HB ALA 68 2HB ALA 68 14.513 9.932 -2.179 517 3HB ALA 68 3HB ALA 68 13.718 10.864 -3.466 518 H ALA 69 HN ALA 69 14.383 7.389 -2.531 519 HA ALA 69 HA ALA 69 15.184 6.883 -5.184 520 1HB ALA 69 1HB ALA 69 15.269 5.053 -2.744 521 2HB ALA 69 3HB ALA 69 16.196 4.837 -4.245 522 3HB ALA 69 2HB ALA 69 16.498 6.248 -3.214 523 H VAL 70 HN VAL 70 12.882 4.930 -3.149 524 HA VAL 70 HA VAL 70 12.339 3.060 -5.271 525 HB VAL 70 HB VAL 70 10.585 3.745 -2.879 526 1HG1 VAL 70 1HG21 VAL 70 9.447 2.415 -4.685 527 2HG1 VAL 70 2HG22 VAL 70 10.752 1.225 -4.600 528 3HG1 VAL 70 3HG23 VAL 70 9.684 1.475 -3.206 529 1HG2 VAL 70 1HG11 VAL 70 12.760 1.624 -3.199 530 2HG2 VAL 70 3HG13 VAL 70 12.851 3.034 -2.124 531 3HG2 VAL 70 2HG12 VAL 70 11.651 1.768 -1.820 532 H ALA 71 HN ALA 71 10.768 6.031 -4.096 533 HA ALA 71 HA ALA 71 8.504 6.021 -5.761 534 1HB ALA 71 1HB ALA 71 8.848 7.578 -3.888 535 2HB ALA 71 2HB ALA 71 10.112 8.431 -4.794 536 3HB ALA 71 3HB ALA 71 8.441 8.451 -5.380 537 H GLU 72 HN GLU 72 11.714 7.665 -6.461 538 HA GLU 72 HA GLU 72 10.841 8.372 -9.108 539 1HB GLU 72 2HB GLU 72 13.068 9.101 -9.518 540 2HB GLU 72 1HB GLU 72 12.573 9.578 -7.902 541 1HG GLU 72 2HG GLU 72 14.790 8.938 -7.632 542 2HG GLU 72 1HG GLU 72 13.882 7.570 -7.018 543 H ALA 73 HN ALA 73 12.673 5.524 -7.840 544 HA ALA 73 HA ALA 73 13.290 4.375 -10.342 545 1HB ALA 73 1HB ALA 73 14.174 3.555 -8.190 546 2HB ALA 73 3HB ALA 73 12.556 2.978 -7.729 547 3HB ALA 73 2HB ALA 73 13.403 2.247 -9.106 548 H ALA 74 HN ALA 74 10.301 4.141 -8.375 549 HA ALA 74 HA ALA 74 8.920 2.452 -10.322 550 1HB ALA 74 3HB ALA 74 7.970 3.930 -7.837 551 2HB ALA 74 1HB ALA 74 7.025 2.742 -8.761 552 3HB ALA 74 2HB ALA 74 8.505 2.242 -7.925 553 H GLY 75 HN GLY 75 9.820 5.649 -10.591 554 1HA GLY 75 1HA GLY 75 9.143 7.342 -11.926 555 2HA GLY 75 2HA GLY 75 8.063 6.184 -12.728 556 H ILE 76 HN ILE 76 7.868 7.074 -9.253 557 HA ILE 76 HA ILE 76 5.065 7.782 -9.640 558 HB ILE 76 HB ILE 76 6.802 8.219 -7.175 559 1HG1 ILE 76 1HG11 ILE 76 6.805 5.867 -7.798 560 2HG1 ILE 76 2HG12 ILE 76 5.895 6.138 -6.313 561 1HG2 ILE 76 3HG23 ILE 76 3.808 8.289 -7.718 562 2HG2 ILE 76 1HG21 ILE 76 4.457 8.054 -6.089 563 3HG2 ILE 76 2HG22 ILE 76 4.820 9.541 -6.981 564 1HD1 ILE 76 2HD12 ILE 76 4.672 5.703 -9.092 565 2HD1 ILE 76 1HD11 ILE 76 4.858 4.480 -7.846 566 3HD1 ILE 76 3HD13 ILE 76 3.788 5.858 -7.550 567 H THR 77 HN THR 77 4.196 9.696 -9.849 568 HA THR 77 HA THR 77 5.830 12.195 -9.743 569 HB THR 77 HB THR 77 4.587 12.812 -11.907 570 HG1 THR 77 HG1 THR 77 4.431 10.003 -12.238 571 1HG2 THR 77 2HG22 THR 77 7.008 12.263 -11.892 572 2HG2 THR 77 1HG21 THR 77 6.631 10.542 -12.093 573 3HG2 THR 77 3HG23 THR 77 6.214 11.695 -13.373 574 H ALA 78 HN ALA 78 2.585 11.253 -10.807 575 HA ALA 78 HA ALA 78 1.296 13.377 -9.311 576 1HB ALA 78 2HB ALA 78 0.169 10.974 -10.802 577 2HB ALA 78 1HB ALA 78 -0.774 12.371 -10.229 578 3HB ALA 78 3HB ALA 78 0.468 12.589 -11.478 579 H MET 79 HN MET 79 2.517 12.398 -7.225 580 HA MET 79 HA MET 79 1.177 10.215 -5.950 581 1HB MET 79 1HB MET 79 2.292 10.761 -3.946 582 2HB MET 79 2HB MET 79 3.415 10.971 -5.284 583 1HG MET 79 2HG MET 79 1.988 13.265 -3.855 584 2HG MET 79 1HG MET 79 3.569 12.642 -3.471 585 1HE MET 79 3HE MET 79 1.750 15.290 -5.112 586 2HE MET 79 2HE MET 79 2.791 15.881 -6.428 587 3HE MET 79 1HE MET 79 1.752 14.475 -6.695 588 HA PRO 80 HA PRO 80 0.190 9.674 -3.812 589 1HB PRO 80 2HB PRO 80 -2.244 8.661 -3.171 590 2HB PRO 80 1HB PRO 80 -1.468 9.951 -2.210 591 1HG PRO 80 1HG PRO 80 -3.540 10.286 -4.385 592 2HG PRO 80 2HG PRO 80 -3.557 10.995 -2.745 593 1HD PRO 80 1HD PRO 80 -2.631 12.378 -4.935 594 2HD PRO 80 2HD PRO 80 -1.867 12.579 -3.337 595 H THR 81 HN THR 81 0.493 7.770 -4.846 596 HA THR 81 HA THR 81 -1.068 7.185 -7.320 597 HB THR 81 HB THR 81 1.929 7.172 -6.883 598 HG1 THR 81 HG1 THR 81 0.428 9.042 -7.805 599 1HG2 THR 81 2HG22 THR 81 0.276 5.973 -9.154 600 2HG2 THR 81 3HG23 THR 81 2.014 6.320 -9.272 601 3HG2 THR 81 1HG21 THR 81 1.431 5.133 -8.094 602 H PHE 82 HN PHE 82 -1.841 5.232 -7.362 603 HA PHE 82 HA PHE 82 -1.067 3.232 -5.317 604 1HB PHE 82 1HB PHE 82 -3.588 3.732 -6.916 605 2HB PHE 82 2HB PHE 82 -3.399 2.369 -5.841 606 HD1 PHE 82 HD1 PHE 82 -3.105 2.761 -3.358 607 HD2 PHE 82 HD2 PHE 82 -3.860 6.034 -6.074 608 HE1 PHE 82 HE1 PHE 82 -3.430 4.303 -1.444 609 HE2 PHE 82 HE2 PHE 82 -4.160 7.555 -4.167 610 HZ PHE 82 HZ PHE 82 -3.765 6.717 -1.837 611 H HIS 83 HN HIS 83 -0.121 1.398 -6.059 612 HA HIS 83 HA HIS 83 -0.091 0.789 -9.008 613 1HB HIS 83 1HB HIS 83 2.087 1.182 -7.013 614 2HB HIS 83 2HB HIS 83 2.271 -0.167 -8.113 615 HD2 HIS 83 HD2 HIS 83 0.919 3.208 -9.570 616 HE1 HIS 83 HE1 HIS 83 5.063 2.920 -10.374 617 HE2 HIS 83 HE2 HIS 83 2.942 4.260 -10.875 618 H VAL 84 HN VAL 84 -0.077 -1.440 -9.488 619 HA VAL 84 HA VAL 84 -0.240 -3.357 -7.210 620 HB VAL 84 HB VAL 84 -1.823 -3.547 -9.808 621 1HG1 VAL 84 2HG22 VAL 84 -1.905 -5.030 -7.141 622 2HG1 VAL 84 1HG21 VAL 84 -3.077 -5.254 -8.450 623 3HG1 VAL 84 3HG23 VAL 84 -1.377 -5.678 -8.705 624 1HG2 VAL 84 1HG11 VAL 84 -2.805 -2.568 -7.100 625 2HG2 VAL 84 3HG13 VAL 84 -2.738 -1.614 -8.598 626 3HG2 VAL 84 2HG12 VAL 84 -3.840 -2.987 -8.477 627 H TYR 85 HN TYR 85 0.991 -5.268 -7.532 628 HA TYR 85 HA TYR 85 2.449 -5.482 -10.178 629 1HB TYR 85 1HB TYR 85 3.698 -5.560 -7.421 630 2HB TYR 85 2HB TYR 85 4.474 -6.091 -8.905 631 HD1 TYR 85 HD2 TYR 85 3.187 -3.100 -7.102 632 HD2 TYR 85 HD1 TYR 85 5.605 -4.617 -10.331 633 HE1 TYR 85 HE2 TYR 85 4.240 -0.869 -7.390 634 HE2 TYR 85 HE1 TYR 85 6.557 -2.358 -10.680 635 HH TYR 85 HH TYR 85 5.198 0.489 -9.130 636 H LYS 86 HN LYS 86 0.222 -6.987 -9.857 637 HA LYS 86 HA LYS 86 0.826 -9.561 -8.636 638 1HB LYS 86 2HB LYS 86 -1.207 -8.710 -10.746 639 2HB LYS 86 1HB LYS 86 -0.999 -10.375 -10.171 640 1HG LYS 86 1HG LYS 86 -1.368 -9.618 -7.830 641 2HG LYS 86 2HG LYS 86 -1.657 -7.978 -8.412 642 1HD LYS 86 2HD LYS 86 -3.792 -9.064 -7.986 643 2HD LYS 86 1HD LYS 86 -3.617 -8.741 -9.711 644 1HE LYS 86 2HE LYS 86 -4.609 -10.976 -9.226 645 2HE LYS 86 1HE LYS 86 -3.113 -11.101 -10.153 646 1HZ LYS 86 2HZ LYS 86 -1.976 -11.558 -8.067 647 2HZ LYS 86 1HZ LYS 86 -3.423 -11.557 -7.268 648 3HZ LYS 86 3HZ LYS 86 -3.105 -12.684 -8.441 649 H ASP 87 HN ASP 87 1.395 -11.480 -9.802 650 HA ASP 87 HA ASP 87 2.587 -12.776 -11.241 651 1HB ASP 87 1HB ASP 87 1.457 -11.641 -13.162 652 2HB ASP 87 2HB ASP 87 2.724 -10.423 -13.207 653 H GLY 88 HN GLY 88 3.730 -9.452 -11.455 654 1HA GLY 88 1HA GLY 88 5.833 -9.435 -9.676 655 2HA GLY 88 2HA GLY 88 6.567 -10.109 -11.150 656 H VAL 89 HN VAL 89 5.246 -8.795 -13.131 657 HA VAL 89 HA VAL 89 6.509 -6.193 -13.092 658 HB VAL 89 HB VAL 89 6.323 -7.671 -15.093 659 1HG1 VAL 89 2HG12 VAL 89 4.010 -8.535 -14.763 660 2HG1 VAL 89 3HG13 VAL 89 3.363 -6.922 -15.124 661 3HG1 VAL 89 1HG11 VAL 89 4.240 -7.828 -16.366 662 1HG2 VAL 89 2HG22 VAL 89 6.691 -5.212 -15.339 663 2HG2 VAL 89 1HG21 VAL 89 5.901 -5.975 -16.730 664 3HG2 VAL 89 3HG23 VAL 89 4.941 -5.010 -15.603 665 H LYS 90 HN LYS 90 5.418 -4.166 -13.451 666 HA LYS 90 HA LYS 90 3.338 -3.546 -11.643 667 1HB LYS 90 1HB LYS 90 5.092 -2.034 -12.664 668 2HB LYS 90 2HB LYS 90 4.158 -2.046 -14.167 669 1HG LYS 90 1HG LYS 90 2.277 -0.942 -13.029 670 2HG LYS 90 2HG LYS 90 3.043 -1.168 -11.456 671 1HD LYS 90 1HD LYS 90 3.328 1.135 -12.241 672 2HD LYS 90 2HD LYS 90 4.876 0.327 -12.013 673 1HE LYS 90 1HE LYS 90 4.761 1.745 -14.069 674 2HE LYS 90 2HE LYS 90 5.159 0.060 -14.427 675 1HZ LYS 90 3HZ LYS 90 2.467 1.226 -14.623 676 2HZ LYS 90 2HZ LYS 90 3.491 0.997 -15.901 677 3HZ LYS 90 1HZ LYS 90 2.906 -0.297 -15.064 678 H ALA 91 HN ALA 91 1.371 -4.448 -11.779 679 HA ALA 91 HA ALA 91 0.330 -5.489 -14.306 680 1HB ALA 91 3HB ALA 91 0.236 -6.808 -12.233 681 2HB ALA 91 1HB ALA 91 -0.774 -5.559 -11.466 682 3HB ALA 91 2HB ALA 91 -1.394 -6.479 -12.853 683 H ASP 92 HN ASP 92 -0.548 -2.943 -11.970 684 HA ASP 92 HA ASP 92 -2.159 -1.572 -13.955 685 1HB ASP 92 1HB ASP 92 -3.656 -3.449 -13.082 686 2HB ASP 92 2HB ASP 92 -3.551 -2.693 -11.479 687 H ASP 93 HN ASP 93 -2.966 0.510 -13.018 688 HA ASP 93 HA ASP 93 -1.638 1.398 -10.553 689 1HB ASP 93 1HB ASP 93 -1.157 2.834 -13.193 690 2HB ASP 93 2HB ASP 93 -0.533 3.307 -11.614 691 H LEU 94 HN LEU 94 -2.351 3.549 -9.943 692 HA LEU 94 HA LEU 94 -4.615 4.800 -11.327 693 1HB LEU 94 2HB LEU 94 -5.724 3.062 -10.182 694 2HB LEU 94 1HB LEU 94 -4.828 3.278 -8.690 695 HG LEU 94 HG LEU 94 -7.224 3.946 -8.781 696 1HD1 LEU 94 3HD23 LEU 94 -5.693 4.722 -7.000 697 2HD1 LEU 94 1HD21 LEU 94 -5.521 6.272 -7.867 698 3HD1 LEU 94 2HD22 LEU 94 -7.100 5.733 -7.272 699 1HD2 LEU 94 3HD13 LEU 94 -7.041 5.069 -11.051 700 2HD2 LEU 94 1HD11 LEU 94 -7.866 6.062 -9.840 701 3HD2 LEU 94 2HD12 LEU 94 -6.203 6.425 -10.267 702 H VAL 95 HN VAL 95 -4.065 6.943 -11.224 703 HA VAL 95 HA VAL 95 -2.289 7.869 -9.046 704 HB VAL 95 HB VAL 95 -1.847 9.763 -10.530 705 1HG1 VAL 95 2HG22 VAL 95 -0.395 7.788 -10.596 706 2HG1 VAL 95 1HG21 VAL 95 -1.403 7.061 -11.867 707 3HG1 VAL 95 3HG23 VAL 95 -0.506 8.557 -12.186 708 1HG2 VAL 95 3HG13 VAL 95 -3.985 9.818 -11.809 709 2HG2 VAL 95 1HG11 VAL 95 -2.558 9.792 -12.852 710 3HG2 VAL 95 2HG12 VAL 95 -3.514 8.319 -12.638 711 H GLY 96 HN GLY 96 -2.629 9.880 -8.019 712 1HA GLY 96 1HA GLY 96 -3.729 11.778 -7.351 713 2HA GLY 96 2HA GLY 96 -5.047 11.447 -8.498 714 H ALA 97 HN ALA 97 -5.938 12.324 -6.243 715 HA ALA 97 HA ALA 97 -6.349 10.337 -4.165 716 1HB ALA 97 2HB ALA 97 -7.593 13.075 -4.725 717 2HB ALA 97 1HB ALA 97 -7.815 12.169 -3.224 718 3HB ALA 97 3HB ALA 97 -6.200 12.747 -3.670 719 H SER 98 HN SER 98 -7.149 9.243 -6.624 720 HA SER 98 HA SER 98 -10.006 9.547 -7.076 721 1HB SER 98 2HB SER 98 -8.022 7.536 -8.178 722 2HB SER 98 1HB SER 98 -9.548 8.060 -8.920 723 HG SER 98 HG SER 98 -7.089 9.125 -9.176 724 H GLN 99 HN GLN 99 -10.054 8.946 -4.571 725 HA GLN 99 HA GLN 99 -9.668 6.492 -3.445 726 1HB GLN 99 1HB GLN 99 -10.521 8.480 -2.269 727 2HB GLN 99 2HB GLN 99 -12.080 8.324 -3.086 728 1HG GLN 99 1HG GLN 99 -12.242 7.469 -0.815 729 2HG GLN 99 2HG GLN 99 -12.476 6.151 -1.957 730 1HE2 GLN 99 1HE21 GLN 99 -9.057 6.261 0.369 731 2HE2 GLN 99 2HE22 GLN 99 -9.893 7.763 0.000 732 H ASP 100 HN ASP 100 -12.616 7.346 -5.323 733 HA ASP 100 HA ASP 100 -14.047 4.932 -4.928 734 1HB ASP 100 2HB ASP 100 -15.314 5.599 -6.888 735 2HB ASP 100 1HB ASP 100 -15.010 7.017 -5.881 736 H LYS 101 HN LYS 101 -11.786 5.895 -7.519 737 HA LYS 101 HA LYS 101 -11.939 3.370 -8.890 738 1HB LYS 101 1HB LYS 101 -11.380 5.619 -9.852 739 2HB LYS 101 2HB LYS 101 -9.804 5.512 -9.074 740 1HG LYS 101 2HG LYS 101 -9.181 3.594 -10.387 741 2HG LYS 101 1HG LYS 101 -10.825 3.318 -10.955 742 1HD LYS 101 2HD LYS 101 -9.499 5.954 -11.641 743 2HD LYS 101 1HD LYS 101 -8.994 4.489 -12.489 744 1HE LYS 101 1HE LYS 101 -10.711 5.640 -13.769 745 2HE LYS 101 2HE LYS 101 -11.275 4.046 -13.251 746 1HZ LYS 101 3HZ LYS 101 -11.956 6.596 -11.958 747 2HZ LYS 101 1HZ LYS 101 -12.929 5.744 -12.979 748 3HZ LYS 101 2HZ LYS 101 -12.512 5.109 -11.518 749 H LEU 102 HN LEU 102 -9.870 4.704 -6.331 750 HA LEU 102 HA LEU 102 -7.833 2.747 -6.282 751 1HB LEU 102 1HB LEU 102 -8.237 4.947 -4.841 752 2HB LEU 102 2HB LEU 102 -9.043 3.844 -3.720 753 HG LEU 102 HG LEU 102 -6.158 3.951 -4.504 754 1HD1 LEU 102 1HD11 LEU 102 -7.733 3.973 -1.876 755 2HD1 LEU 102 3HD13 LEU 102 -5.977 4.055 -1.986 756 3HD1 LEU 102 2HD12 LEU 102 -6.964 5.364 -2.670 757 1HD2 LEU 102 2HD22 LEU 102 -7.498 1.655 -3.014 758 2HD2 LEU 102 1HD21 LEU 102 -6.672 1.551 -4.595 759 3HD2 LEU 102 3HD23 LEU 102 -5.748 1.938 -3.153 760 H LYS 103 HN LYS 103 -10.941 2.906 -4.426 761 HA LYS 103 HA LYS 103 -10.829 0.314 -3.314 762 1HB LYS 103 1HB LYS 103 -13.244 2.021 -4.101 763 2HB LYS 103 2HB LYS 103 -13.278 0.557 -3.116 764 1HG LYS 103 1HG LYS 103 -11.570 1.753 -1.570 765 2HG LYS 103 2HG LYS 103 -12.022 3.231 -2.432 766 1HD LYS 103 1HD LYS 103 -14.465 2.657 -1.889 767 2HD LYS 103 2HD LYS 103 -13.840 1.384 -0.828 768 1HE LYS 103 2HE LYS 103 -13.443 4.397 -0.577 769 2HE LYS 103 1HE LYS 103 -14.315 3.323 0.527 770 1HZ LYS 103 2HZ LYS 103 -12.171 2.249 0.965 771 2HZ LYS 103 3HZ LYS 103 -11.425 3.396 0.033 772 3HZ LYS 103 1HZ LYS 103 -12.206 3.836 1.412 773 H ALA 104 HN ALA 104 -12.336 1.445 -6.391 774 HA ALA 104 HA ALA 104 -13.338 -1.023 -7.252 775 1HB ALA 104 1HB ALA 104 -13.706 1.180 -8.388 776 2HB ALA 104 3HB ALA 104 -12.054 1.078 -9.047 777 3HB ALA 104 2HB ALA 104 -13.262 -0.131 -9.501 778 H LEU 105 HN LEU 105 -9.973 0.272 -7.780 779 HA LEU 105 HA LEU 105 -9.113 -2.074 -9.202 780 1HB LEU 105 1HB LEU 105 -7.524 -0.002 -7.615 781 2HB LEU 105 2HB LEU 105 -6.817 -1.367 -8.470 782 HG LEU 105 HG LEU 105 -8.043 1.124 -9.610 783 1HD1 LEU 105 3HD13 LEU 105 -5.593 0.868 -9.283 784 2HD1 LEU 105 2HD12 LEU 105 -5.606 -0.597 -10.280 785 3HD1 LEU 105 1HD11 LEU 105 -6.000 0.961 -11.014 786 1HD2 LEU 105 1HD21 LEU 105 -7.880 -1.523 -11.106 787 2HD2 LEU 105 2HD22 LEU 105 -9.333 -0.527 -10.838 788 3HD2 LEU 105 3HD23 LEU 105 -8.036 0.064 -11.880 789 H VAL 106 HN VAL 106 -8.941 -1.242 -5.678 790 HA VAL 106 HA VAL 106 -7.542 -3.633 -4.998 791 HB VAL 106 HB VAL 106 -9.625 -2.150 -3.330 792 1HG1 VAL 106 1HG21 VAL 106 -7.550 -4.289 -2.619 793 2HG1 VAL 106 2HG22 VAL 106 -8.428 -3.321 -1.425 794 3HG1 VAL 106 3HG23 VAL 106 -9.310 -4.437 -2.469 795 1HG2 VAL 106 2HG12 VAL 106 -7.620 -0.785 -3.968 796 2HG2 VAL 106 3HG13 VAL 106 -7.674 -1.144 -2.236 797 3HG2 VAL 106 1HG11 VAL 106 -6.575 -2.050 -3.304 798 H ALA 107 HN ALA 107 -11.042 -3.013 -5.157 799 HA ALA 107 HA ALA 107 -11.940 -5.632 -4.572 800 1HB ALA 107 1HB ALA 107 -13.429 -3.667 -4.734 801 2HB ALA 107 3HB ALA 107 -13.194 -3.618 -6.495 802 3HB ALA 107 2HB ALA 107 -14.009 -5.005 -5.746 803 H LYS 108 HN LYS 108 -11.086 -4.234 -7.771 804 HA LYS 108 HA LYS 108 -11.678 -6.501 -9.347 805 1HB LYS 108 2HB LYS 108 -11.305 -4.247 -10.237 806 2HB LYS 108 1HB LYS 108 -9.623 -4.272 -9.694 807 1HG LYS 108 2HG LYS 108 -9.208 -6.225 -11.270 808 2HG LYS 108 1HG LYS 108 -10.832 -5.946 -11.916 809 1HD LYS 108 2HD LYS 108 -8.482 -3.986 -11.858 810 2HD LYS 108 1HD LYS 108 -9.054 -4.888 -13.265 811 1HE LYS 108 2HE LYS 108 -11.247 -3.677 -13.120 812 2HE LYS 108 1HE LYS 108 -10.602 -2.716 -11.774 813 1HZ LYS 108 3HZ LYS 108 -8.887 -1.928 -13.230 814 2HZ LYS 108 2HZ LYS 108 -9.501 -2.797 -14.488 815 3HZ LYS 108 1HZ LYS 108 -10.380 -1.571 -13.827 816 H HIS 109 HN HIS 109 -8.466 -5.473 -8.082 817 HA HIS 109 HA HIS 109 -7.197 -7.886 -9.111 818 1HB HIS 109 1HB HIS 109 -6.269 -5.649 -7.270 819 2HB HIS 109 2HB HIS 109 -5.253 -7.019 -7.738 820 HD2 HIS 109 HD2 HIS 109 -6.952 -3.900 -9.473 821 HE1 HIS 109 HE1 HIS 109 -4.302 -5.708 -12.210 822 HE2 HIS 109 HE2 HIS 109 -5.820 -3.683 -11.807 823 H ALA 110 HN ALA 110 -8.103 -6.763 -5.825 824 HA ALA 110 HA ALA 110 -7.520 -9.427 -4.676 825 1HB ALA 110 3HB ALA 110 -6.914 -7.251 -3.492 826 2HB ALA 110 2HB ALA 110 -8.644 -6.969 -3.271 827 3HB ALA 110 1HB ALA 110 -7.892 -8.401 -2.559 828 H ALA 111 HN ALA 111 -9.255 -9.907 -6.550 829 HA ALA 111 HA ALA 111 -12.038 -9.581 -5.754 830 1HB ALA 111 1HB ALA 111 -10.709 -11.415 -7.797 831 2HB ALA 111 2HB ALA 111 -12.460 -11.183 -7.607 832 3HB ALA 111 3HB ALA 111 -11.440 -9.825 -8.111 833 H ALA 112 HN ALA 112 -9.622 -12.211 -5.613 834 HA ALA 112 HA ALA 112 -10.566 -13.422 -3.275 835 1HB ALA 112 2HB ALA 112 -11.204 -14.865 -5.900 836 2HB ALA 112 1HB ALA 112 -11.270 -15.593 -4.282 837 3HB ALA 112 3HB ALA 112 -12.405 -14.302 -4.714 No H/Q in entry = 837 Start of MODEL 10 1 1H GLY 1 1HN GLY 1 -5.270 -7.903 9.945 2 2H GLY 1 3HN GLY 1 -5.158 -7.415 11.542 3 3H GLY 1 2HN GLY 1 -4.883 -6.351 10.306 4 1HA GLY 1 1HA GLY 1 -2.717 -6.873 10.651 5 2HA GLY 1 2HA GLY 1 -3.164 -8.456 11.331 6 H GLY 2 HN GLY 2 -1.146 -8.628 9.527 7 1HA GLY 2 1HA GLY 2 -1.024 -10.440 7.883 8 2HA GLY 2 2HA GLY 2 -2.422 -9.729 7.058 9 H SER 3 HN SER 3 -1.128 -9.429 5.074 10 HA SER 3 HA SER 3 1.263 -7.681 5.199 11 1HB SER 3 2HB SER 3 1.158 -8.102 2.735 12 2HB SER 3 1HB SER 3 1.415 -9.556 3.719 13 HG SER 3 HG SER 3 -1.135 -8.711 2.786 14 H VAL 4 HN VAL 4 -0.377 -6.176 6.296 15 HA VAL 4 HA VAL 4 -1.873 -4.578 4.307 16 HB VAL 4 HB VAL 4 -3.377 -4.138 6.214 17 1HG1 VAL 4 2HG12 VAL 4 -3.637 -6.272 4.842 18 2HG1 VAL 4 3HG13 VAL 4 -2.803 -7.129 6.148 19 3HG1 VAL 4 1HG11 VAL 4 -4.328 -6.334 6.484 20 1HG2 VAL 4 2HG22 VAL 4 -1.876 -4.074 8.065 21 2HG2 VAL 4 1HG21 VAL 4 -3.241 -5.169 8.330 22 3HG2 VAL 4 3HG23 VAL 4 -1.639 -5.839 7.953 23 H ILE 5 HN ILE 5 0.961 -4.330 5.037 24 HA ILE 5 HA ILE 5 1.178 -1.539 5.511 25 HB ILE 5 HB ILE 5 2.866 -2.022 7.525 26 1HG1 ILE 5 2HG12 ILE 5 2.109 -3.671 9.119 27 2HG1 ILE 5 1HG11 ILE 5 0.879 -4.289 8.022 28 1HG2 ILE 5 1HG21 ILE 5 0.797 -0.591 7.603 29 2HG2 ILE 5 2HG22 ILE 5 -0.105 -2.020 8.156 30 3HG2 ILE 5 3HG23 ILE 5 1.229 -1.387 9.121 31 1HD1 ILE 5 2HD12 ILE 5 3.879 -4.348 7.453 32 2HD1 ILE 5 1HD11 ILE 5 2.966 -5.679 8.190 33 3HD1 ILE 5 3HD13 ILE 5 2.601 -5.187 6.536 34 H VAL 6 HN VAL 6 3.661 -1.178 5.818 35 HA VAL 6 HA VAL 6 5.478 -3.059 4.693 36 HB VAL 6 HB VAL 6 4.285 -1.991 2.682 37 1HG1 VAL 6 1HG11 VAL 6 4.349 0.311 3.719 38 2HG1 VAL 6 3HG13 VAL 6 6.036 0.430 3.182 39 3HG1 VAL 6 2HG12 VAL 6 4.760 0.177 1.992 40 1HG2 VAL 6 1HG21 VAL 6 6.461 -3.197 2.514 41 2HG2 VAL 6 2HG22 VAL 6 6.195 -1.947 1.291 42 3HG2 VAL 6 3HG23 VAL 6 7.306 -1.648 2.624 43 H ILE 7 HN ILE 7 7.384 -0.831 4.276 44 HA ILE 7 HA ILE 7 7.353 0.754 6.678 45 HB ILE 7 HB ILE 7 7.906 -1.504 7.553 46 1HG1 ILE 7 2HG12 ILE 7 10.373 0.285 7.716 47 2HG1 ILE 7 1HG11 ILE 7 8.865 0.564 8.621 48 1HG2 ILE 7 3HG23 ILE 7 9.076 -2.280 5.426 49 2HG2 ILE 7 1HG21 ILE 7 10.454 -1.261 5.919 50 3HG2 ILE 7 2HG22 ILE 7 9.947 -2.650 6.909 51 1HD1 ILE 7 2HD12 ILE 7 9.095 -1.776 9.567 52 2HD1 ILE 7 3HD13 ILE 7 10.703 -1.865 8.817 53 3HD1 ILE 7 1HD11 ILE 7 10.378 -0.647 10.055 54 H ASP 8 HN ASP 8 9.490 1.989 6.748 55 HA ASP 8 HA ASP 8 9.697 3.257 4.173 56 1HB ASP 8 2HB ASP 8 11.069 4.858 5.355 57 2HB ASP 8 1HB ASP 8 9.752 4.417 6.443 58 H SER 9 HN SER 9 11.761 1.110 6.042 59 HA SER 9 HA SER 9 14.179 1.490 4.643 60 1HB SER 9 2HB SER 9 13.134 -1.025 5.980 61 2HB SER 9 1HB SER 9 14.825 -0.684 5.561 62 HG SER 9 HG SER 9 13.313 1.088 7.213 63 H LYS 10 HN LYS 10 14.115 1.476 2.441 64 HA LYS 10 HA LYS 10 12.648 0.304 0.599 65 1HB LYS 10 1HB LYS 10 14.603 1.785 0.332 66 2HB LYS 10 2HB LYS 10 15.708 0.416 0.423 67 1HG LYS 10 1HG LYS 10 13.461 0.427 -1.619 68 2HG LYS 10 2HG LYS 10 14.913 1.403 -1.895 69 1HD LYS 10 1HD LYS 10 16.347 -0.589 -1.779 70 2HD LYS 10 2HD LYS 10 14.960 -1.614 -1.404 71 1HE LYS 10 1HE LYS 10 15.488 -1.869 -3.728 72 2HE LYS 10 2HE LYS 10 13.916 -1.078 -3.570 73 1HZ LYS 10 2HZ LYS 10 16.471 0.275 -4.126 74 2HZ LYS 10 1HZ LYS 10 15.293 -0.054 -5.231 75 3HZ LYS 10 3HZ LYS 10 15.000 1.013 -4.012 76 H ALA 11 HN ALA 11 15.473 -1.453 1.924 77 HA ALA 11 HA ALA 11 15.287 -3.815 0.424 78 1HB ALA 11 1HB ALA 11 17.125 -3.321 2.000 79 2HB ALA 11 2HB ALA 11 16.019 -3.541 3.377 80 3HB ALA 11 3HB ALA 11 16.420 -4.916 2.327 81 H ALA 12 HN ALA 12 13.349 -2.847 3.249 82 HA ALA 12 HA ALA 12 12.103 -5.419 3.663 83 1HB ALA 12 2HB ALA 12 12.336 -3.626 5.419 84 2HB ALA 12 1HB ALA 12 11.177 -2.672 4.463 85 3HB ALA 12 3HB ALA 12 10.670 -4.209 5.188 86 H TRP 13 HN TRP 13 11.517 -2.654 1.488 87 HA TRP 13 HA TRP 13 8.730 -3.259 0.958 88 1HB TRP 13 2HB TRP 13 8.870 -1.340 -0.109 89 2HB TRP 13 1HB TRP 13 10.588 -1.236 0.151 90 HD1 TRP 13 HD1 TRP 13 12.116 -2.416 -1.918 91 HE1 TRP 13 HE1 TRP 13 11.721 -2.475 -4.426 92 HE3 TRP 13 HE3 TRP 13 7.192 -0.982 -1.995 93 HZ2 TRP 13 HZ2 TRP 13 9.644 -1.791 -6.251 94 HZ3 TRP 13 HZ3 TRP 13 6.104 -0.514 -4.175 95 HH2 TRP 13 HH2 TRP 13 7.280 -0.984 -6.300 96 H ASP 14 HN ASP 14 11.864 -4.109 -0.537 97 HA ASP 14 HA ASP 14 10.842 -5.860 -2.546 98 1HB ASP 14 2HB ASP 14 13.536 -5.977 -1.109 99 2HB ASP 14 1HB ASP 14 13.115 -6.819 -2.597 100 H ALA 15 HN ALA 15 12.052 -6.477 0.739 101 HA ALA 15 HA ALA 15 11.610 -9.240 0.858 102 1HB ALA 15 1HB ALA 15 12.696 -7.841 2.660 103 2HB ALA 15 3HB ALA 15 11.063 -7.337 3.168 104 3HB ALA 15 2HB ALA 15 11.529 -9.038 3.257 105 H GLN 16 HN GLN 16 9.281 -6.627 1.583 106 HA GLN 16 HA GLN 16 7.069 -8.246 2.245 107 1HB GLN 16 2HB GLN 16 7.507 -5.409 1.681 108 2HB GLN 16 1HB GLN 16 6.081 -5.980 0.853 109 1HG GLN 16 2HG GLN 16 5.320 -5.270 2.961 110 2HG GLN 16 1HG GLN 16 5.239 -7.015 2.967 111 1HE2 GLN 16 1HE21 GLN 16 8.326 -5.455 5.259 112 2HE2 GLN 16 2HE22 GLN 16 8.333 -5.165 3.527 113 H LEU 17 HN LEU 17 8.000 -6.884 -1.006 114 HA LEU 17 HA LEU 17 5.967 -8.076 -2.501 115 1HB LEU 17 2HB LEU 17 8.895 -7.951 -3.371 116 2HB LEU 17 1HB LEU 17 7.468 -8.103 -4.369 117 HG LEU 17 HG LEU 17 8.342 -5.631 -2.868 118 1HD1 LEU 17 3HD23 LEU 17 9.563 -6.132 -4.960 119 2HD1 LEU 17 1HD21 LEU 17 8.019 -6.235 -5.833 120 3HD1 LEU 17 2HD22 LEU 17 8.538 -4.692 -5.129 121 1HD2 LEU 17 2HD12 LEU 17 5.871 -5.810 -2.830 122 2HD2 LEU 17 3HD13 LEU 17 6.425 -4.491 -3.872 123 3HD2 LEU 17 1HD11 LEU 17 5.879 -6.016 -4.602 124 H ALA 18 HN ALA 18 9.096 -9.525 -1.538 125 HA ALA 18 HA ALA 18 8.660 -12.033 -2.835 126 1HB ALA 18 3HB ALA 18 10.866 -11.176 -2.121 127 2HB ALA 18 1HB ALA 18 10.402 -11.380 -0.419 128 3HB ALA 18 2HB ALA 18 10.541 -12.801 -1.475 129 H LYS 19 HN LYS 19 8.224 -11.244 0.687 130 HA LYS 19 HA LYS 19 7.166 -13.883 1.204 131 1HB LYS 19 2HB LYS 19 6.352 -13.006 3.300 132 2HB LYS 19 1HB LYS 19 8.048 -12.600 3.050 133 1HG LYS 19 1HG LYS 19 7.639 -10.362 2.721 134 2HG LYS 19 2HG LYS 19 5.958 -10.544 2.272 135 1HD LYS 19 1HD LYS 19 7.159 -10.893 5.065 136 2HD LYS 19 2HD LYS 19 6.247 -9.496 4.494 137 1HE LYS 19 1HE LYS 19 5.183 -12.298 5.036 138 2HE LYS 19 2HE LYS 19 4.753 -10.782 5.824 139 1HZ LYS 19 3HZ LYS 19 3.814 -10.049 3.734 140 2HZ LYS 19 2HZ LYS 19 4.171 -11.504 3.039 141 3HZ LYS 19 1HZ LYS 19 3.092 -11.430 4.280 142 H GLY 20 HN GLY 20 5.718 -10.995 -0.175 143 1HA GLY 20 1HA GLY 20 3.000 -11.493 0.374 144 2HA GLY 20 2HA GLY 20 3.678 -10.529 -0.950 145 H LYS 21 HN LYS 21 4.445 -13.963 -0.799 146 HA LYS 21 HA LYS 21 3.996 -15.693 -2.213 147 1HB LYS 21 2HB LYS 21 1.166 -14.640 -1.844 148 2HB LYS 21 1HB LYS 21 1.606 -16.287 -2.315 149 1HG LYS 21 2HG LYS 21 2.307 -14.929 0.333 150 2HG LYS 21 1HG LYS 21 0.965 -16.048 0.063 151 1HD LYS 21 2HD LYS 21 2.605 -17.844 -0.556 152 2HD LYS 21 1HD LYS 21 3.936 -16.714 -0.244 153 1HE LYS 21 2HE LYS 21 3.672 -18.135 1.682 154 2HE LYS 21 1HE LYS 21 3.231 -16.474 2.110 155 1HZ LYS 21 1HZ LYS 21 1.344 -18.633 1.450 156 2HZ LYS 21 3HZ LYS 21 1.695 -18.096 2.968 157 3HZ LYS 21 2HZ LYS 21 0.936 -17.100 1.899 158 H GLU 22 HN GLU 22 5.173 -14.444 -3.780 159 HA GLU 22 HA GLU 22 3.938 -13.163 -6.019 160 1HB GLU 22 1HB GLU 22 6.719 -14.391 -5.719 161 2HB GLU 22 2HB GLU 22 6.171 -13.267 -6.968 162 1HG GLU 22 2HG GLU 22 5.612 -11.606 -5.120 163 2HG GLU 22 1HG GLU 22 6.440 -12.692 -3.992 164 H GLU 23 HN GLU 23 2.359 -14.929 -6.064 165 HA GLU 23 HA GLU 23 3.080 -17.092 -8.030 166 1HB GLU 23 1HB GLU 23 0.610 -16.756 -6.247 167 2HB GLU 23 2HB GLU 23 0.897 -18.074 -7.391 168 1HG GLU 23 2HG GLU 23 2.885 -18.768 -6.098 169 2HG GLU 23 1HG GLU 23 2.670 -17.407 -4.986 170 H HIS 24 HN HIS 24 0.241 -15.112 -7.292 171 HA HIS 24 HA HIS 24 0.283 -13.572 -9.769 172 1HB HIS 24 2HB HIS 24 -1.910 -14.437 -10.522 173 2HB HIS 24 1HB HIS 24 -0.753 -15.770 -10.451 174 HD2 HIS 24 HD2 HIS 24 -3.908 -14.433 -8.522 175 HE1 HIS 24 HE1 HIS 24 -2.835 -18.147 -6.816 176 HE2 HIS 24 HE2 HIS 24 -4.548 -16.226 -6.764 177 H LYS 25 HN LYS 25 0.307 -13.298 -6.779 178 HA LYS 25 HA LYS 25 -2.350 -12.463 -6.034 179 1HB LYS 25 2HB LYS 25 0.354 -12.394 -4.651 180 2HB LYS 25 1HB LYS 25 -1.093 -11.740 -3.884 181 1HG LYS 25 1HG LYS 25 -1.011 -14.601 -4.947 182 2HG LYS 25 2HG LYS 25 -0.459 -14.160 -3.329 183 1HD LYS 25 1HD LYS 25 -2.635 -13.171 -2.785 184 2HD LYS 25 2HD LYS 25 -3.277 -13.606 -4.379 185 1HE LYS 25 1HE LYS 25 -2.232 -15.642 -2.367 186 2HE LYS 25 2HE LYS 25 -3.932 -15.160 -2.536 187 1HZ LYS 25 2HZ LYS 25 -2.345 -16.352 -4.689 188 2HZ LYS 25 3HZ LYS 25 -3.476 -17.120 -3.761 189 3HZ LYS 25 1HZ LYS 25 -3.939 -15.897 -4.749 190 HA PRO 26 HA PRO 26 -1.840 -8.167 -7.198 191 1HB PRO 26 1HB PRO 26 -3.936 -7.039 -5.859 192 2HB PRO 26 2HB PRO 26 -4.145 -8.140 -7.253 193 1HG PRO 26 1HG PRO 26 -4.184 -8.877 -4.320 194 2HG PRO 26 2HG PRO 26 -5.456 -9.228 -5.504 195 1HD PRO 26 1HD PRO 26 -3.576 -11.038 -4.835 196 2HD PRO 26 2HD PRO 26 -4.053 -10.867 -6.549 197 H ILE 27 HN ILE 27 -0.084 -7.142 -6.475 198 HA ILE 27 HA ILE 27 0.120 -6.497 -3.595 199 HB ILE 27 HB ILE 27 2.202 -6.238 -5.782 200 1HG1 ILE 27 2HG12 ILE 27 2.212 -8.292 -3.549 201 2HG1 ILE 27 1HG11 ILE 27 1.516 -8.647 -5.129 202 1HG2 ILE 27 2HG22 ILE 27 2.338 -5.943 -2.748 203 2HG2 ILE 27 1HG21 ILE 27 3.720 -5.859 -3.850 204 3HG2 ILE 27 3HG23 ILE 27 2.466 -4.627 -3.933 205 1HD1 ILE 27 3HD13 ILE 27 3.685 -8.131 -6.210 206 2HD1 ILE 27 1HD11 ILE 27 4.408 -7.884 -4.602 207 3HD1 ILE 27 2HD12 ILE 27 3.773 -9.470 -5.049 208 H VAL 28 HN VAL 28 -1.026 -4.760 -3.186 209 HA VAL 28 HA VAL 28 -1.313 -2.644 -5.269 210 HB VAL 28 HB VAL 28 -2.977 -2.965 -2.746 211 1HG1 VAL 28 2HG12 VAL 28 -2.901 -0.727 -3.872 212 2HG1 VAL 28 1HG11 VAL 28 -3.400 -1.487 -5.393 213 3HG1 VAL 28 3HG13 VAL 28 -4.503 -1.483 -4.004 214 1HG2 VAL 28 3HG23 VAL 28 -3.581 -4.031 -5.538 215 2HG2 VAL 28 2HG22 VAL 28 -3.328 -4.998 -4.077 216 3HG2 VAL 28 1HG21 VAL 28 -4.734 -3.934 -4.194 217 H VAL 29 HN VAL 29 0.277 -1.130 -4.959 218 HA VAL 29 HA VAL 29 1.107 -0.569 -2.144 219 HB VAL 29 HB VAL 29 2.907 -1.503 -3.465 220 1HG1 VAL 29 3HG13 VAL 29 2.296 -0.701 -5.720 221 2HG1 VAL 29 1HG11 VAL 29 2.773 0.935 -5.191 222 3HG1 VAL 29 2HG12 VAL 29 3.973 -0.360 -5.261 223 1HG2 VAL 29 2HG22 VAL 29 3.191 0.275 -1.635 224 2HG2 VAL 29 1HG21 VAL 29 4.521 0.198 -2.797 225 3HG2 VAL 29 3HG23 VAL 29 3.309 1.483 -2.921 226 H ASP 30 HN ASP 30 0.457 1.165 -1.311 227 HA ASP 30 HA ASP 30 -0.685 3.417 -2.841 228 1HB ASP 30 1HB ASP 30 -1.938 2.752 -0.923 229 2HB ASP 30 2HB ASP 30 -0.494 2.598 0.078 230 H PHE 31 HN PHE 31 1.028 4.513 -3.818 231 HA PHE 31 HA PHE 31 3.394 5.270 -2.157 232 1HB PHE 31 2HB PHE 31 2.782 5.638 -5.105 233 2HB PHE 31 1HB PHE 31 4.139 6.334 -4.263 234 HD1 PHE 31 HD1 PHE 31 5.961 4.901 -3.310 235 HD2 PHE 31 HD2 PHE 31 2.894 3.366 -5.915 236 HE1 PHE 31 HE1 PHE 31 7.600 3.345 -4.316 237 HE2 PHE 31 HE2 PHE 31 4.551 1.819 -6.937 238 HZ PHE 31 HZ PHE 31 6.927 1.918 -6.265 239 H THR 32 HN THR 32 2.620 6.872 -0.792 240 HA THR 32 HA THR 32 1.490 9.302 -2.064 241 HB THR 32 HB THR 32 0.320 7.904 0.380 242 HG1 THR 32 HG1 THR 32 -0.681 7.158 -1.384 243 1HG2 THR 32 2HG22 THR 32 -0.250 10.679 -0.770 244 2HG2 THR 32 3HG23 THR 32 -1.299 9.824 0.370 245 3HG2 THR 32 1HG21 THR 32 0.324 10.304 0.876 246 H ALA 33 HN ALA 33 2.023 11.213 -0.820 247 HA ALA 33 HA ALA 33 4.665 10.863 0.475 248 1HB ALA 33 2HB ALA 33 4.408 12.465 -1.397 249 2HB ALA 33 3HB ALA 33 3.180 13.354 -0.461 250 3HB ALA 33 1HB ALA 33 4.862 13.275 0.107 251 H THR 34 HN THR 34 5.171 11.954 2.432 252 HA THR 34 HA THR 34 3.210 11.904 4.530 253 HB THR 34 HB THR 34 5.866 13.391 4.472 254 HG1 THR 34 HG1 THR 34 5.368 10.591 4.686 255 1HG2 THR 34 1HG21 THR 34 4.424 11.844 6.673 256 2HG2 THR 34 2HG22 THR 34 5.991 12.673 6.819 257 3HG2 THR 34 3HG23 THR 34 4.517 13.617 6.533 258 H TRP 35 HN TRP 35 4.402 14.207 2.228 259 HA TRP 35 HA TRP 35 3.534 16.693 3.239 260 1HB TRP 35 1HB TRP 35 4.433 15.472 0.642 261 2HB TRP 35 2HB TRP 35 3.469 16.905 0.465 262 HD1 TRP 35 HD1 TRP 35 6.852 15.812 1.844 263 HE1 TRP 35 HE1 TRP 35 8.319 17.929 2.148 264 HE3 TRP 35 HE3 TRP 35 3.342 19.391 0.848 265 HZ2 TRP 35 HZ2 TRP 35 7.992 20.778 1.998 266 HZ3 TRP 35 HZ3 TRP 35 3.940 21.803 0.956 267 HH2 TRP 35 HH2 TRP 35 6.256 22.500 1.525 268 H CYS 36 HN CYS 36 2.040 18.033 1.803 269 HA CYS 36 HA CYS 36 0.020 18.696 1.070 270 1HB CYS 36 2HB CYS 36 0.030 17.178 -0.693 271 2HB CYS 36 1HB CYS 36 -0.209 15.786 0.338 272 H GLY 37 HN GLY 37 -0.600 15.655 2.832 273 1HA GLY 37 1HA GLY 37 -1.506 15.574 5.036 274 2HA GLY 37 2HA GLY 37 -2.249 17.161 4.830 275 HA PRO 38 HA PRO 38 -6.181 15.362 3.852 276 1HB PRO 38 1HB PRO 38 -6.056 16.806 1.188 277 2HB PRO 38 2HB PRO 38 -7.446 16.644 2.302 278 1HG PRO 38 2HG PRO 38 -5.991 18.918 2.356 279 2HG PRO 38 1HG PRO 38 -6.394 18.119 3.907 280 1HD PRO 38 2HD PRO 38 -3.827 17.950 2.327 281 2HD PRO 38 1HD PRO 38 -4.041 18.241 4.081 282 H CYS 39 HN CYS 39 -3.949 15.402 1.131 283 HA CYS 39 HA CYS 39 -4.765 13.325 -0.524 284 1HB CYS 39 1HB CYS 39 -1.921 13.968 0.408 285 2HB CYS 39 2HB CYS 39 -2.347 13.014 -1.004 286 H LYS 40 HN LYS 40 -3.136 13.108 2.627 287 HA LYS 40 HA LYS 40 -2.556 10.271 2.346 288 1HB LYS 40 1HB LYS 40 -1.230 12.250 3.511 289 2HB LYS 40 2HB LYS 40 -2.258 11.862 4.901 290 1HG LYS 40 2HG LYS 40 -1.421 9.505 4.812 291 2HG LYS 40 1HG LYS 40 -0.508 9.909 3.340 292 1HD LYS 40 2HD LYS 40 0.697 11.704 4.672 293 2HD LYS 40 1HD LYS 40 -0.102 11.083 6.124 294 1HE LYS 40 2HE LYS 40 2.171 10.167 5.921 295 2HE LYS 40 1HE LYS 40 0.996 8.855 5.751 296 1HZ LYS 40 3HZ LYS 40 2.161 10.264 3.454 297 2HZ LYS 40 2HZ LYS 40 2.856 8.928 4.129 298 3HZ LYS 40 1HZ LYS 40 1.350 8.830 3.453 299 H MET 41 HN MET 41 -5.350 12.032 3.356 300 HA MET 41 HA MET 41 -6.251 10.399 5.543 301 1HB MET 41 1HB MET 41 -7.802 11.859 3.357 302 2HB MET 41 2HB MET 41 -8.529 11.183 4.812 303 1HG MET 41 2HG MET 41 -6.324 13.285 4.850 304 2HG MET 41 1HG MET 41 -8.046 13.634 4.899 305 1HE MET 41 3HE MET 41 -9.598 13.041 6.868 306 2HE MET 41 2HE MET 41 -9.128 11.328 7.038 307 3HE MET 41 1HE MET 41 -9.065 12.410 8.444 308 H ILE 42 HN ILE 42 -6.175 9.831 2.100 309 HA ILE 42 HA ILE 42 -7.967 7.584 2.074 310 HB ILE 42 HB ILE 42 -5.667 8.428 0.264 311 1HG1 ILE 42 2HG12 ILE 42 -8.703 8.461 -0.120 312 2HG1 ILE 42 1HG11 ILE 42 -7.774 9.848 0.463 313 1HG2 ILE 42 1HG21 ILE 42 -7.669 6.130 -0.027 314 2HG2 ILE 42 3HG23 ILE 42 -6.688 6.746 -1.364 315 3HG2 ILE 42 2HG22 ILE 42 -5.898 5.998 0.015 316 1HD1 ILE 42 3HD13 ILE 42 -6.429 9.842 -1.619 317 2HD1 ILE 42 2HD12 ILE 42 -7.483 8.563 -2.275 318 3HD1 ILE 42 1HD11 ILE 42 -8.164 10.138 -1.857 319 H ALA 43 HN ALA 43 -4.623 7.905 3.209 320 HA ALA 43 HA ALA 43 -3.767 5.250 2.930 321 1HB ALA 43 3HB ALA 43 -2.278 7.083 3.531 322 2HB ALA 43 2HB ALA 43 -3.017 7.223 5.135 323 3HB ALA 43 1HB ALA 43 -2.153 5.751 4.689 324 HA PRO 44 HA PRO 44 -5.486 3.998 7.233 325 1HB PRO 44 1HB PRO 44 -7.569 5.465 8.346 326 2HB PRO 44 2HB PRO 44 -5.842 5.645 8.761 327 1HG PRO 44 1HG PRO 44 -7.444 7.264 6.772 328 2HG PRO 44 2HG PRO 44 -6.355 7.874 8.053 329 1HD PRO 44 1HD PRO 44 -5.416 7.684 5.556 330 2HD PRO 44 2HD PRO 44 -4.420 7.082 6.901 331 H LEU 45 HN LEU 45 -7.704 5.588 4.953 332 HA LEU 45 HA LEU 45 -9.885 3.700 5.286 333 1HB LEU 45 2HB LEU 45 -9.071 5.355 2.851 334 2HB LEU 45 1HB LEU 45 -10.574 4.465 3.013 335 HG LEU 45 HG LEU 45 -9.656 6.824 4.736 336 1HD1 LEU 45 1HD11 LEU 45 -10.362 7.397 2.430 337 2HD1 LEU 45 3HD13 LEU 45 -11.915 6.575 2.716 338 3HD1 LEU 45 2HD12 LEU 45 -11.486 8.027 3.647 339 1HD2 LEU 45 1HD21 LEU 45 -12.223 5.179 4.873 340 2HD2 LEU 45 3HD23 LEU 45 -11.017 5.393 6.166 341 3HD2 LEU 45 2HD22 LEU 45 -12.000 6.761 5.648 342 H PHE 46 HN PHE 46 -7.239 3.924 2.933 343 HA PHE 46 HA PHE 46 -7.591 1.448 1.606 344 1HB PHE 46 1HB PHE 46 -6.212 3.240 0.784 345 2HB PHE 46 2HB PHE 46 -5.170 3.189 2.188 346 HD1 PHE 46 HD2 PHE 46 -6.072 1.297 -0.912 347 HD2 PHE 46 HD1 PHE 46 -3.336 1.708 2.388 348 HE1 PHE 46 HE2 PHE 46 -4.362 0.024 -2.166 349 HE2 PHE 46 HE1 PHE 46 -1.659 0.333 1.161 350 HZ PHE 46 HZ PHE 46 -2.129 -0.464 -1.113 351 H GLU 47 HN GLU 47 -5.813 2.292 4.603 352 HA GLU 47 HA GLU 47 -4.723 -0.248 5.151 353 1HB GLU 47 1HB GLU 47 -4.299 2.092 6.224 354 2HB GLU 47 2HB GLU 47 -5.588 1.634 7.347 355 1HG GLU 47 1HG GLU 47 -4.338 -0.347 8.042 356 2HG GLU 47 2HG GLU 47 -3.113 -0.071 6.794 357 H THR 48 HN THR 48 -7.950 1.123 5.860 358 HA THR 48 HA THR 48 -8.823 -1.000 7.587 359 HB THR 48 HB THR 48 -10.554 0.690 5.724 360 HG1 THR 48 HG1 THR 48 -9.115 1.925 7.138 361 1HG2 THR 48 2HG22 THR 48 -11.131 -0.690 8.377 362 2HG2 THR 48 1HG21 THR 48 -12.253 0.340 7.467 363 3HG2 THR 48 3HG23 THR 48 -11.728 -1.212 6.786 364 H LEU 49 HN LEU 49 -9.175 -0.441 4.035 365 HA LEU 49 HA LEU 49 -10.343 -2.980 3.431 366 1HB LEU 49 2HB LEU 49 -8.765 -0.958 1.810 367 2HB LEU 49 1HB LEU 49 -9.132 -2.563 1.176 368 HG LEU 49 HG LEU 49 -11.526 -2.250 1.592 369 1HD1 LEU 49 2HD22 LEU 49 -10.740 0.638 2.176 370 2HD1 LEU 49 1HD21 LEU 49 -12.394 0.066 1.874 371 3HD1 LEU 49 3HD23 LEU 49 -11.526 -0.494 3.307 372 1HD2 LEU 49 3HD13 LEU 49 -10.497 -1.880 -0.625 373 2HD2 LEU 49 1HD11 LEU 49 -11.879 -0.806 -0.357 374 3HD2 LEU 49 2HD12 LEU 49 -10.221 -0.172 -0.213 375 H SER 50 HN SER 50 -6.960 -1.965 3.697 376 HA SER 50 HA SER 50 -5.621 -4.379 3.011 377 1HB SER 50 1HB SER 50 -4.743 -2.608 5.298 378 2HB SER 50 2HB SER 50 -3.819 -3.634 4.215 379 HG SER 50 HG SER 50 -5.252 -1.521 3.103 380 H ASN 51 HN ASN 51 -6.820 -3.397 6.251 381 HA ASN 51 HA ASN 51 -6.241 -5.935 7.467 382 1HB ASN 51 2HB ASN 51 -8.102 -3.652 8.201 383 2HB ASN 51 1HB ASN 51 -8.025 -5.153 9.130 384 1HD2 ASN 51 1HD21 ASN 51 -4.857 -2.555 9.338 385 2HD2 ASN 51 2HD22 ASN 51 -6.102 -2.311 8.121 386 H ASP 52 HN ASP 52 -9.163 -4.781 5.732 387 HA ASP 52 HA ASP 52 -10.775 -7.035 6.336 388 1HB ASP 52 2HB ASP 52 -10.776 -5.369 3.768 389 2HB ASP 52 1HB ASP 52 -12.044 -6.465 4.306 390 H TYR 53 HN TYR 53 -8.525 -6.573 3.551 391 HA TYR 53 HA TYR 53 -9.067 -9.297 2.558 392 1HB TYR 53 2HB TYR 53 -7.164 -7.087 1.796 393 2HB TYR 53 1HB TYR 53 -7.077 -8.670 1.042 394 HD1 TYR 53 HD1 TYR 53 -8.920 -9.579 -0.369 395 HD2 TYR 53 HD2 TYR 53 -8.982 -5.546 1.134 396 HE1 TYR 53 HE1 TYR 53 -10.560 -8.947 -2.106 397 HE2 TYR 53 HE2 TYR 53 -10.670 -4.933 -0.549 398 HH TYR 53 HH TYR 53 -11.941 -5.661 -2.333 399 H ALA 54 HN ALA 54 -6.642 -7.777 4.573 400 HA ALA 54 HA ALA 54 -4.997 -8.463 5.877 401 1HB ALA 54 3HB ALA 54 -6.759 -9.832 6.867 402 2HB ALA 54 2HB ALA 54 -6.421 -11.163 5.745 403 3HB ALA 54 1HB ALA 54 -5.203 -10.678 6.941 404 H GLY 55 HN GLY 55 -5.368 -11.343 3.864 405 1HA GLY 55 1HA GLY 55 -2.458 -11.228 3.086 406 2HA GLY 55 2HA GLY 55 -3.224 -12.716 3.653 407 H LYS 56 HN LYS 56 -5.795 -11.609 2.074 408 HA LYS 56 HA LYS 56 -5.362 -13.246 -0.243 409 1HB LYS 56 2HB LYS 56 -7.404 -11.122 0.506 410 2HB LYS 56 1HB LYS 56 -7.534 -12.058 -0.983 411 1HG LYS 56 1HG LYS 56 -7.176 -13.645 1.551 412 2HG LYS 56 2HG LYS 56 -8.687 -12.752 1.389 413 1HD LYS 56 2HD LYS 56 -8.925 -15.038 0.554 414 2HD LYS 56 1HD LYS 56 -9.214 -13.844 -0.721 415 1HE LYS 56 2HE LYS 56 -6.983 -14.262 -1.678 416 2HE LYS 56 1HE LYS 56 -6.584 -15.363 -0.343 417 1HZ LYS 56 3HZ LYS 56 -8.775 -15.761 -2.249 418 2HZ LYS 56 1HZ LYS 56 -7.281 -16.432 -2.376 419 3HZ LYS 56 2HZ LYS 56 -8.259 -16.830 -1.100 420 H VAL 57 HN VAL 57 -4.910 -9.830 0.451 421 HA VAL 57 HA VAL 57 -3.769 -9.349 -2.242 422 HB VAL 57 HB VAL 57 -5.598 -7.588 -0.599 423 1HG1 VAL 57 1HG11 VAL 57 -3.902 -6.217 -1.808 424 2HG1 VAL 57 2HG12 VAL 57 -4.403 -6.962 -3.331 425 3HG1 VAL 57 3HG13 VAL 57 -5.532 -5.947 -2.435 426 1HG2 VAL 57 2HG22 VAL 57 -6.156 -8.946 -3.251 427 2HG2 VAL 57 1HG21 VAL 57 -6.940 -9.269 -1.709 428 3HG2 VAL 57 3HG23 VAL 57 -7.196 -7.715 -2.511 429 H ILE 58 HN ILE 58 -1.861 -8.119 -2.127 430 HA ILE 58 HA ILE 58 -0.745 -7.845 0.641 431 HB ILE 58 HB ILE 58 0.657 -7.665 -2.034 432 1HG1 ILE 58 1HG11 ILE 58 -0.243 -9.850 -2.031 433 2HG1 ILE 58 2HG12 ILE 58 1.466 -9.924 -1.652 434 1HG2 ILE 58 2HG22 ILE 58 1.805 -6.630 -0.073 435 2HG2 ILE 58 3HG23 ILE 58 1.835 -8.227 0.694 436 3HG2 ILE 58 1HG21 ILE 58 2.687 -7.965 -0.827 437 1HD1 ILE 58 3HD13 ILE 58 0.906 -10.277 0.765 438 2HD1 ILE 58 1HD11 ILE 58 -0.823 -10.223 0.349 439 3HD1 ILE 58 2HD12 ILE 58 0.203 -11.509 -0.292 440 H PHE 59 HN PHE 59 -1.471 -5.884 1.457 441 HA PHE 59 HA PHE 59 -1.638 -3.520 -0.381 442 1HB PHE 59 2HB PHE 59 -2.766 -4.122 2.319 443 2HB PHE 59 1HB PHE 59 -2.584 -2.480 1.750 444 HD1 PHE 59 HD2 PHE 59 -4.131 -5.760 0.713 445 HD2 PHE 59 HD1 PHE 59 -4.420 -1.466 0.801 446 HE1 PHE 59 HE2 PHE 59 -6.547 -5.857 0.068 447 HE2 PHE 59 HE1 PHE 59 -6.783 -1.589 0.158 448 HZ PHE 59 HZ PHE 59 -7.875 -3.837 -0.070 449 H LEU 60 HN LEU 60 0.189 -2.349 -0.460 450 HA LEU 60 HA LEU 60 2.015 -2.218 1.919 451 1HB LEU 60 1HB LEU 60 2.517 -1.841 -1.051 452 2HB LEU 60 2HB LEU 60 3.752 -1.696 0.216 453 HG LEU 60 HG LEU 60 2.186 -4.186 -0.642 454 1HD1 LEU 60 2HD22 LEU 60 3.934 -3.448 -2.227 455 2HD1 LEU 60 1HD21 LEU 60 5.134 -3.451 -0.915 456 3HD1 LEU 60 3HD23 LEU 60 4.363 -4.969 -1.420 457 1HD2 LEU 60 1HD11 LEU 60 4.377 -3.919 1.449 458 2HD2 LEU 60 2HD12 LEU 60 2.687 -4.379 1.773 459 3HD2 LEU 60 3HD13 LEU 60 3.734 -5.451 0.841 460 H LYS 61 HN LYS 61 2.600 -0.178 2.706 461 HA LYS 61 HA LYS 61 1.194 2.213 1.519 462 1HB LYS 61 2HB LYS 61 1.588 1.391 4.421 463 2HB LYS 61 1HB LYS 61 1.055 2.998 3.876 464 1HG LYS 61 1HG LYS 61 -0.895 2.062 2.785 465 2HG LYS 61 2HG LYS 61 -0.359 0.410 3.132 466 1HD LYS 61 1HD LYS 61 -2.179 1.128 4.607 467 2HD LYS 61 2HD LYS 61 -0.736 0.703 5.524 468 1HE LYS 61 1HE LYS 61 -1.186 3.595 4.712 469 2HE LYS 61 2HE LYS 61 -2.121 2.925 6.053 470 1HZ LYS 61 3HZ LYS 61 0.801 2.897 5.944 471 2HZ LYS 61 1HZ LYS 61 -0.122 3.957 6.805 472 3HZ LYS 61 2HZ LYS 61 -0.157 2.353 7.173 473 H VAL 62 HN VAL 62 2.958 2.999 0.350 474 HA VAL 62 HA VAL 62 5.557 3.257 1.804 475 HB VAL 62 HB VAL 62 4.859 3.296 -1.154 476 1HG1 VAL 62 2HG12 VAL 62 7.521 3.736 0.258 477 2HG1 VAL 62 1HG11 VAL 62 7.317 3.471 -1.491 478 3HG1 VAL 62 3HG13 VAL 62 6.695 4.946 -0.752 479 1HG2 VAL 62 2HG22 VAL 62 6.556 1.464 0.620 480 2HG2 VAL 62 3HG23 VAL 62 4.984 1.054 -0.102 481 3HG2 VAL 62 1HG21 VAL 62 6.394 1.324 -1.138 482 H ASP 63 HN ASP 63 6.012 5.087 2.726 483 HA ASP 63 HA ASP 63 4.823 7.658 2.025 484 1HB ASP 63 1HB ASP 63 6.873 6.709 4.024 485 2HB ASP 63 2HB ASP 63 6.813 8.412 3.566 486 H VAL 64 HN VAL 64 5.333 8.253 -0.017 487 HA VAL 64 HA VAL 64 7.515 7.691 -1.618 488 HB VAL 64 HB VAL 64 5.785 10.187 -1.400 489 1HG1 VAL 64 3HG13 VAL 64 7.829 9.548 -3.552 490 2HG1 VAL 64 2HG12 VAL 64 6.519 10.733 -3.730 491 3HG1 VAL 64 1HG11 VAL 64 7.779 10.989 -2.518 492 1HG2 VAL 64 3HG23 VAL 64 4.736 7.988 -2.053 493 2HG2 VAL 64 1HG21 VAL 64 4.655 9.207 -3.336 494 3HG2 VAL 64 2HG22 VAL 64 5.865 7.903 -3.412 495 H ASP 65 HN ASP 65 7.319 10.326 0.758 496 HA ASP 65 HA ASP 65 9.595 11.786 0.429 497 1HB ASP 65 2HB ASP 65 8.412 10.750 3.041 498 2HB ASP 65 1HB ASP 65 9.587 12.064 2.897 499 H ALA 66 HN ALA 66 9.336 8.525 1.897 500 HA ALA 66 HA ALA 66 12.075 8.548 2.922 501 1HB ALA 66 1HB ALA 66 9.963 6.343 2.756 502 2HB ALA 66 3HB ALA 66 11.523 6.245 3.594 503 3HB ALA 66 2HB ALA 66 10.287 7.401 4.140 504 H VAL 67 HN VAL 67 10.399 6.326 0.622 505 HA VAL 67 HA VAL 67 13.074 5.501 -0.364 506 HB VAL 67 HB VAL 67 11.892 3.790 -1.621 507 1HG1 VAL 67 1HG11 VAL 67 12.763 3.378 0.655 508 2HG1 VAL 67 3HG13 VAL 67 11.184 3.839 1.323 509 3HG1 VAL 67 2HG12 VAL 67 11.333 2.402 0.293 510 1HG2 VAL 67 3HG23 VAL 67 9.661 4.872 -1.942 511 2HG2 VAL 67 2HG22 VAL 67 9.559 3.291 -1.154 512 3HG2 VAL 67 1HG21 VAL 67 9.403 4.782 -0.192 513 H ALA 68 HN ALA 68 13.052 7.960 -1.006 514 HA ALA 68 HA ALA 68 11.844 8.985 -3.264 515 1HB ALA 68 2HB ALA 68 13.439 10.221 -1.854 516 2HB ALA 68 3HB ALA 68 14.784 9.238 -2.479 517 3HB ALA 68 1HB ALA 68 13.899 10.330 -3.566 518 H ALA 69 HN ALA 69 14.629 6.761 -3.183 519 HA ALA 69 HA ALA 69 15.251 6.675 -5.937 520 1HB ALA 69 1HB ALA 69 16.694 5.754 -4.177 521 2HB ALA 69 2HB ALA 69 15.494 4.491 -3.821 522 3HB ALA 69 3HB ALA 69 16.319 4.519 -5.394 523 H VAL 70 HN VAL 70 12.936 4.673 -4.030 524 HA VAL 70 HA VAL 70 12.254 2.964 -6.287 525 HB VAL 70 HB VAL 70 10.725 3.456 -3.700 526 1HG1 VAL 70 1HG21 VAL 70 9.375 2.380 -5.516 527 2HG1 VAL 70 3HG23 VAL 70 10.618 1.132 -5.677 528 3HG1 VAL 70 2HG22 VAL 70 9.691 1.278 -4.170 529 1HG2 VAL 70 2HG12 VAL 70 13.029 2.589 -3.253 530 2HG2 VAL 70 3HG13 VAL 70 11.780 1.375 -2.918 531 3HG2 VAL 70 1HG11 VAL 70 12.738 1.276 -4.412 532 H ALA 71 HN ALA 71 10.878 5.822 -4.649 533 HA ALA 71 HA ALA 71 8.506 6.071 -6.135 534 1HB ALA 71 1HB ALA 71 9.017 7.389 -4.114 535 2HB ALA 71 2HB ALA 71 10.265 8.294 -4.994 536 3HB ALA 71 3HB ALA 71 8.570 8.445 -5.470 537 H GLU 72 HN GLU 72 11.693 7.694 -6.856 538 HA GLU 72 HA GLU 72 10.703 8.763 -9.326 539 1HB GLU 72 1HB GLU 72 12.960 9.358 -9.840 540 2HB GLU 72 2HB GLU 72 12.633 9.692 -8.136 541 1HG GLU 72 2HG GLU 72 13.815 7.531 -7.576 542 2HG GLU 72 1HG GLU 72 14.288 7.394 -9.275 543 H ALA 73 HN ALA 73 12.517 5.700 -8.606 544 HA ALA 73 HA ALA 73 12.805 4.852 -11.284 545 1HB ALA 73 2HB ALA 73 13.880 3.740 -9.363 546 2HB ALA 73 1HB ALA 73 12.297 3.168 -8.789 547 3HB ALA 73 3HB ALA 73 12.950 2.581 -10.331 548 H ALA 74 HN ALA 74 10.036 4.504 -9.058 549 HA ALA 74 HA ALA 74 8.378 3.050 -10.980 550 1HB ALA 74 2HB ALA 74 7.861 4.194 -8.222 551 2HB ALA 74 1HB ALA 74 6.712 3.210 -9.150 552 3HB ALA 74 3HB ALA 74 8.261 2.524 -8.639 553 H GLY 75 HN GLY 75 9.349 6.232 -11.076 554 1HA GLY 75 1HA GLY 75 8.529 8.095 -12.073 555 2HA GLY 75 2HA GLY 75 7.334 7.047 -12.863 556 H ILE 76 HN ILE 76 7.548 7.383 -9.331 557 HA ILE 76 HA ILE 76 4.752 8.069 -9.199 558 HB ILE 76 HB ILE 76 6.882 8.250 -7.032 559 1HG1 ILE 76 1HG11 ILE 76 6.728 6.022 -7.934 560 2HG1 ILE 76 2HG12 ILE 76 6.054 6.058 -6.305 561 1HG2 ILE 76 2HG22 ILE 76 3.834 8.328 -6.948 562 2HG2 ILE 76 3HG23 ILE 76 4.861 8.059 -5.527 563 3HG2 ILE 76 1HG21 ILE 76 4.960 9.584 -6.407 564 1HD1 ILE 76 2HD12 ILE 76 4.485 5.939 -8.930 565 2HD1 ILE 76 3HD13 ILE 76 4.775 4.619 -7.816 566 3HD1 ILE 76 1HD11 ILE 76 3.778 5.985 -7.292 567 H THR 77 HN THR 77 3.938 9.927 -9.583 568 HA THR 77 HA THR 77 5.418 12.495 -9.169 569 HB THR 77 HB THR 77 4.233 13.056 -11.454 570 HG1 THR 77 HG1 THR 77 4.588 10.245 -11.772 571 1HG2 THR 77 1HG21 THR 77 6.656 11.192 -11.385 572 2HG2 THR 77 3HG23 THR 77 6.175 12.238 -12.735 573 3HG2 THR 77 2HG22 THR 77 6.684 12.956 -11.195 574 H ALA 78 HN ALA 78 2.298 11.457 -10.530 575 HA ALA 78 HA ALA 78 0.832 13.511 -9.086 576 1HB ALA 78 3HB ALA 78 -0.111 11.134 -10.740 577 2HB ALA 78 1HB ALA 78 -1.129 12.484 -10.190 578 3HB ALA 78 2HB ALA 78 0.193 12.778 -11.337 579 H MET 79 HN MET 79 1.840 12.615 -6.952 580 HA MET 79 HA MET 79 0.631 10.277 -5.809 581 1HB MET 79 1HB MET 79 1.666 10.805 -3.796 582 2HB MET 79 2HB MET 79 2.794 11.268 -5.065 583 1HG MET 79 1HG MET 79 1.017 13.180 -3.478 584 2HG MET 79 2HG MET 79 2.709 12.849 -3.171 585 1HE MET 79 1HE MET 79 1.757 15.732 -3.261 586 2HE MET 79 3HE MET 79 1.748 16.547 -4.844 587 3HE MET 79 2HE MET 79 0.448 15.408 -4.428 588 HA PRO 80 HA PRO 80 -0.682 9.546 -3.597 589 1HB PRO 80 1HB PRO 80 -3.614 9.269 -4.327 590 2HB PRO 80 2HB PRO 80 -2.770 8.595 -2.911 591 1HG PRO 80 1HG PRO 80 -4.243 10.842 -2.635 592 2HG PRO 80 2HG PRO 80 -2.578 10.843 -1.970 593 1HD PRO 80 2HD PRO 80 -3.505 11.900 -4.677 594 2HD PRO 80 1HD PRO 80 -2.514 12.729 -3.451 595 H THR 81 HN THR 81 0.075 7.755 -4.741 596 HA THR 81 HA THR 81 -1.113 7.180 -7.430 597 HB THR 81 HB THR 81 1.790 7.279 -6.595 598 HG1 THR 81 HG1 THR 81 0.187 9.096 -7.724 599 1HG2 THR 81 3HG23 THR 81 0.454 6.230 -9.132 600 2HG2 THR 81 2HG22 THR 81 2.162 6.703 -9.059 601 3HG2 THR 81 1HG21 THR 81 1.569 5.380 -8.039 602 H PHE 82 HN PHE 82 -2.197 5.342 -7.177 603 HA PHE 82 HA PHE 82 -1.183 3.257 -5.325 604 1HB PHE 82 2HB PHE 82 -3.805 3.534 -6.807 605 2HB PHE 82 1HB PHE 82 -3.382 2.273 -5.650 606 HD1 PHE 82 HD1 PHE 82 -3.154 2.788 -3.221 607 HD2 PHE 82 HD2 PHE 82 -4.270 5.856 -6.050 608 HE1 PHE 82 HE1 PHE 82 -3.683 4.340 -1.356 609 HE2 PHE 82 HE2 PHE 82 -4.855 7.360 -4.188 610 HZ PHE 82 HZ PHE 82 -4.359 6.669 -1.837 611 H HIS 83 HN HIS 83 -0.048 1.621 -6.188 612 HA HIS 83 HA HIS 83 -0.178 1.034 -9.153 613 1HB HIS 83 1HB HIS 83 2.022 1.340 -7.106 614 2HB HIS 83 2HB HIS 83 2.201 0.044 -8.262 615 HD2 HIS 83 HD2 HIS 83 0.825 3.531 -9.416 616 HE1 HIS 83 HE1 HIS 83 4.856 3.224 -10.641 617 HE2 HIS 83 HE2 HIS 83 2.755 4.632 -10.828 618 H VAL 84 HN VAL 84 -0.433 -0.929 -9.860 619 HA VAL 84 HA VAL 84 -0.831 -3.010 -7.753 620 HB VAL 84 HB VAL 84 -2.260 -2.538 -10.411 621 1HG1 VAL 84 3HG13 VAL 84 -2.253 -4.961 -8.655 622 2HG1 VAL 84 1HG11 VAL 84 -3.356 -4.596 -10.033 623 3HG1 VAL 84 2HG12 VAL 84 -1.627 -4.852 -10.324 624 1HG2 VAL 84 3HG23 VAL 84 -3.055 -1.476 -8.266 625 2HG2 VAL 84 1HG21 VAL 84 -4.169 -2.754 -8.873 626 3HG2 VAL 84 2HG22 VAL 84 -3.048 -3.104 -7.530 627 H TYR 85 HN TYR 85 0.652 -4.436 -7.724 628 HA TYR 85 HA TYR 85 1.860 -5.190 -10.283 629 1HB TYR 85 1HB TYR 85 3.119 -5.310 -7.493 630 2HB TYR 85 2HB TYR 85 3.869 -6.008 -8.913 631 HD1 TYR 85 HD2 TYR 85 3.009 -2.860 -7.166 632 HD2 TYR 85 HD1 TYR 85 5.066 -4.631 -10.513 633 HE1 TYR 85 HE2 TYR 85 4.168 -0.708 -7.620 634 HE2 TYR 85 HE1 TYR 85 6.098 -2.432 -11.035 635 HH TYR 85 HH TYR 85 4.941 0.547 -9.530 636 H LYS 86 HN LYS 86 0.981 -7.108 -10.953 637 HA LYS 86 HA LYS 86 -0.176 -8.909 -8.846 638 1HB LYS 86 1HB LYS 86 -0.552 -8.896 -11.858 639 2HB LYS 86 2HB LYS 86 -1.048 -10.201 -10.766 640 1HG LYS 86 2HG LYS 86 -2.344 -8.469 -9.404 641 2HG LYS 86 1HG LYS 86 -1.971 -7.310 -10.666 642 1HD LYS 86 2HD LYS 86 -4.205 -8.151 -11.016 643 2HD LYS 86 1HD LYS 86 -3.182 -8.765 -12.316 644 1HE LYS 86 1HE LYS 86 -4.764 -10.469 -11.450 645 2HE LYS 86 2HE LYS 86 -3.093 -10.985 -11.226 646 1HZ LYS 86 1HZ LYS 86 -4.818 -9.815 -9.139 647 2HZ LYS 86 3HZ LYS 86 -4.411 -11.402 -9.305 648 3HZ LYS 86 2HZ LYS 86 -3.251 -10.308 -8.942 649 H ASP 87 HN ASP 87 1.003 -10.565 -8.236 650 HA ASP 87 HA ASP 87 2.561 -12.242 -8.086 651 1HB ASP 87 1HB ASP 87 2.316 -13.081 -10.330 652 2HB ASP 87 2HB ASP 87 3.089 -11.695 -11.067 653 H GLY 88 HN GLY 88 3.900 -9.921 -10.259 654 1HA GLY 88 1HA GLY 88 5.299 -8.212 -8.480 655 2HA GLY 88 2HA GLY 88 6.441 -9.447 -9.055 656 H VAL 89 HN VAL 89 3.705 -8.360 -11.078 657 HA VAL 89 HA VAL 89 5.561 -6.855 -12.860 658 HB VAL 89 HB VAL 89 3.314 -8.776 -13.621 659 1HG1 VAL 89 1HG21 VAL 89 5.271 -7.177 -15.337 660 2HG1 VAL 89 2HG22 VAL 89 4.126 -8.395 -15.938 661 3HG1 VAL 89 3HG23 VAL 89 3.518 -6.901 -15.217 662 1HG2 VAL 89 3HG13 VAL 89 6.342 -9.054 -13.881 663 2HG2 VAL 89 2HG12 VAL 89 5.274 -10.049 -12.866 664 3HG2 VAL 89 1HG11 VAL 89 5.148 -10.139 -14.625 665 H LYS 90 HN LYS 90 4.790 -4.845 -13.336 666 HA LYS 90 HA LYS 90 2.595 -3.769 -11.919 667 1HB LYS 90 1HB LYS 90 4.676 -2.603 -12.937 668 2HB LYS 90 2HB LYS 90 3.742 -2.536 -14.435 669 1HG LYS 90 1HG LYS 90 1.923 -1.304 -13.181 670 2HG LYS 90 2HG LYS 90 2.859 -1.461 -11.701 671 1HD LYS 90 2HD LYS 90 3.164 0.760 -12.596 672 2HD LYS 90 1HD LYS 90 4.694 -0.115 -12.622 673 1HE LYS 90 1HE LYS 90 4.257 1.253 -14.677 674 2HE LYS 90 2HE LYS 90 4.524 -0.457 -15.041 675 1HZ LYS 90 3HZ LYS 90 1.881 0.808 -14.786 676 2HZ LYS 90 1HZ LYS 90 2.650 0.512 -16.220 677 3HZ LYS 90 2HZ LYS 90 2.186 -0.740 -15.255 678 H ALA 91 HN ALA 91 0.522 -4.341 -12.283 679 HA ALA 91 HA ALA 91 -0.314 -5.345 -14.956 680 1HB ALA 91 1HB ALA 91 -0.787 -6.590 -12.780 681 2HB ALA 91 3HB ALA 91 -1.911 -5.269 -12.381 682 3HB ALA 91 2HB ALA 91 -2.206 -6.257 -13.806 683 H ASP 92 HN ASP 92 -1.036 -2.793 -12.595 684 HA ASP 92 HA ASP 92 -2.428 -1.153 -14.530 685 1HB ASP 92 1HB ASP 92 -4.122 -2.915 -13.845 686 2HB ASP 92 2HB ASP 92 -3.956 -2.343 -12.175 687 H ASP 93 HN ASP 93 -3.333 0.865 -13.114 688 HA ASP 93 HA ASP 93 -2.001 1.259 -10.625 689 1HB ASP 93 1HB ASP 93 -1.154 3.034 -12.993 690 2HB ASP 93 2HB ASP 93 -0.613 3.212 -11.324 691 H LEU 94 HN LEU 94 -2.575 3.652 -9.927 692 HA LEU 94 HA LEU 94 -4.670 5.029 -11.437 693 1HB LEU 94 1HB LEU 94 -5.968 3.289 -10.582 694 2HB LEU 94 2HB LEU 94 -5.162 3.255 -9.028 695 HG LEU 94 HG LEU 94 -7.528 4.058 -9.152 696 1HD1 LEU 94 3HD23 LEU 94 -5.948 4.600 -7.254 697 2HD1 LEU 94 2HD22 LEU 94 -5.843 6.247 -7.925 698 3HD1 LEU 94 1HD21 LEU 94 -7.399 5.580 -7.404 699 1HD2 LEU 94 3HD13 LEU 94 -7.146 5.388 -11.282 700 2HD2 LEU 94 1HD11 LEU 94 -8.090 6.224 -10.045 701 3HD2 LEU 94 2HD12 LEU 94 -6.402 6.650 -10.285 702 H VAL 95 HN VAL 95 -4.333 7.163 -11.053 703 HA VAL 95 HA VAL 95 -2.720 7.975 -8.706 704 HB VAL 95 HB VAL 95 -2.170 9.953 -10.081 705 1HG1 VAL 95 1HG11 VAL 95 -0.653 8.053 -10.029 706 2HG1 VAL 95 3HG13 VAL 95 -1.503 7.283 -11.389 707 3HG1 VAL 95 2HG12 VAL 95 -0.635 8.812 -11.627 708 1HG2 VAL 95 2HG22 VAL 95 -4.167 9.962 -11.587 709 2HG2 VAL 95 1HG21 VAL 95 -2.630 10.032 -12.458 710 3HG2 VAL 95 3HG23 VAL 95 -3.534 8.513 -12.400 711 H GLY 96 HN GLY 96 -3.156 10.023 -7.742 712 1HA GLY 96 1HA GLY 96 -4.372 11.905 -7.157 713 2HA GLY 96 2HA GLY 96 -5.639 11.478 -8.328 714 H ALA 97 HN ALA 97 -6.699 12.302 -6.129 715 HA ALA 97 HA ALA 97 -7.003 10.298 -4.040 716 1HB ALA 97 3HB ALA 97 -7.073 12.722 -3.569 717 2HB ALA 97 2HB ALA 97 -8.484 12.903 -4.636 718 3HB ALA 97 1HB ALA 97 -8.623 11.977 -3.134 719 H SER 98 HN SER 98 -7.624 9.179 -6.557 720 HA SER 98 HA SER 98 -10.479 9.225 -7.091 721 1HB SER 98 1HB SER 98 -8.265 7.453 -8.170 722 2HB SER 98 2HB SER 98 -9.809 7.836 -8.962 723 HG SER 98 HG SER 98 -7.486 9.130 -9.148 724 H GLN 99 HN GLN 99 -10.513 8.548 -4.585 725 HA GLN 99 HA GLN 99 -9.854 6.039 -3.653 726 1HB GLN 99 2HB GLN 99 -10.868 8.085 -2.428 727 2HB GLN 99 1HB GLN 99 -12.449 7.406 -2.856 728 1HG GLN 99 2HG GLN 99 -11.538 5.195 -1.781 729 2HG GLN 99 1HG GLN 99 -10.247 6.201 -1.122 730 1HE2 GLN 99 2HE22 GLN 99 -12.656 8.105 0.933 731 2HE2 GLN 99 1HE21 GLN 99 -11.358 8.461 -0.194 732 H ASP 100 HN ASP 100 -13.045 6.867 -5.177 733 HA ASP 100 HA ASP 100 -14.232 4.336 -4.969 734 1HB ASP 100 2HB ASP 100 -14.503 6.326 -7.266 735 2HB ASP 100 1HB ASP 100 -15.654 5.058 -6.819 736 H LYS 101 HN LYS 101 -12.105 5.633 -7.493 737 HA LYS 101 HA LYS 101 -12.207 3.375 -9.243 738 1HB LYS 101 1HB LYS 101 -11.304 5.915 -9.464 739 2HB LYS 101 2HB LYS 101 -9.772 5.127 -9.089 740 1HG LYS 101 2HG LYS 101 -11.683 4.543 -11.401 741 2HG LYS 101 1HG LYS 101 -10.129 5.381 -11.490 742 1HD LYS 101 2HD LYS 101 -9.024 3.211 -10.692 743 2HD LYS 101 1HD LYS 101 -10.608 2.433 -10.855 744 1HE LYS 101 2HE LYS 101 -9.428 1.961 -12.864 745 2HE LYS 101 1HE LYS 101 -10.640 3.176 -13.284 746 1HZ LYS 101 1HZ LYS 101 -7.789 3.670 -12.741 747 2HZ LYS 101 2HZ LYS 101 -8.500 3.650 -14.224 748 3HZ LYS 101 3HZ LYS 101 -8.893 4.828 -13.142 749 H LEU 102 HN LEU 102 -9.997 4.384 -6.589 750 HA LEU 102 HA LEU 102 -8.161 2.255 -6.756 751 1HB LEU 102 1HB LEU 102 -7.830 4.234 -5.337 752 2HB LEU 102 2HB LEU 102 -9.149 3.745 -4.272 753 HG LEU 102 HG LEU 102 -7.966 1.765 -3.528 754 1HD1 LEU 102 1HD21 LEU 102 -5.840 2.726 -5.471 755 2HD1 LEU 102 3HD23 LEU 102 -5.498 1.599 -4.135 756 3HD1 LEU 102 2HD22 LEU 102 -6.615 1.133 -5.422 757 1HD2 LEU 102 3HD13 LEU 102 -6.473 4.410 -3.413 758 2HD2 LEU 102 2HD12 LEU 102 -7.733 3.844 -2.303 759 3HD2 LEU 102 1HD11 LEU 102 -6.153 3.043 -2.335 760 H LYS 103 HN LYS 103 -11.169 2.467 -4.727 761 HA LYS 103 HA LYS 103 -11.020 -0.150 -3.668 762 1HB LYS 103 2HB LYS 103 -13.411 1.631 -4.328 763 2HB LYS 103 1HB LYS 103 -13.500 0.120 -3.412 764 1HG LYS 103 1HG LYS 103 -11.790 1.064 -1.807 765 2HG LYS 103 2HG LYS 103 -11.957 2.623 -2.592 766 1HD LYS 103 2HD LYS 103 -14.198 1.029 -1.252 767 2HD LYS 103 1HD LYS 103 -13.336 2.382 -0.514 768 1HE LYS 103 1HE LYS 103 -15.072 2.577 -3.024 769 2HE LYS 103 2HE LYS 103 -15.553 3.044 -1.390 770 1HZ LYS 103 1HZ LYS 103 -13.818 4.666 -1.366 771 2HZ LYS 103 3HZ LYS 103 -13.340 4.236 -2.889 772 3HZ LYS 103 2HZ LYS 103 -14.823 4.912 -2.649 773 H ALA 104 HN ALA 104 -12.637 1.018 -6.678 774 HA ALA 104 HA ALA 104 -13.625 -1.485 -7.536 775 1HB ALA 104 2HB ALA 104 -14.214 0.688 -8.572 776 2HB ALA 104 3HB ALA 104 -12.579 0.811 -9.256 777 3HB ALA 104 1HB ALA 104 -13.660 -0.493 -9.777 778 H LEU 105 HN LEU 105 -10.378 0.010 -8.127 779 HA LEU 105 HA LEU 105 -9.416 -2.169 -9.709 780 1HB LEU 105 1HB LEU 105 -7.959 -0.074 -8.032 781 2HB LEU 105 2HB LEU 105 -7.132 -1.336 -8.922 782 HG LEU 105 HG LEU 105 -8.646 1.016 -10.008 783 1HD1 LEU 105 2HD12 LEU 105 -6.203 1.113 -9.594 784 2HD1 LEU 105 1HD11 LEU 105 -5.962 -0.290 -10.652 785 3HD1 LEU 105 3HD13 LEU 105 -6.570 1.227 -11.334 786 1HD2 LEU 105 1HD21 LEU 105 -8.122 -1.574 -11.511 787 2HD2 LEU 105 3HD23 LEU 105 -9.658 -0.686 -11.357 788 3HD2 LEU 105 2HD22 LEU 105 -8.340 -0.014 -12.317 789 H VAL 106 HN VAL 106 -9.207 -1.615 -6.136 790 HA VAL 106 HA VAL 106 -7.665 -3.957 -5.649 791 HB VAL 106 HB VAL 106 -9.855 -2.740 -3.904 792 1HG1 VAL 106 1HG21 VAL 106 -9.329 -5.106 -3.262 793 2HG1 VAL 106 3HG23 VAL 106 -7.606 -4.694 -3.209 794 3HG1 VAL 106 2HG22 VAL 106 -8.749 -3.946 -2.074 795 1HG2 VAL 106 2HG12 VAL 106 -7.935 -1.190 -4.377 796 2HG2 VAL 106 3HG13 VAL 106 -7.985 -1.708 -2.688 797 3HG2 VAL 106 1HG11 VAL 106 -6.819 -2.441 -3.813 798 H ALA 107 HN ALA 107 -11.197 -3.539 -5.756 799 HA ALA 107 HA ALA 107 -11.947 -6.236 -5.363 800 1HB ALA 107 2HB ALA 107 -13.539 -4.343 -5.389 801 2HB ALA 107 3HB ALA 107 -13.335 -4.181 -7.145 802 3HB ALA 107 1HB ALA 107 -14.055 -5.652 -6.469 803 H LYS 108 HN LYS 108 -11.248 -4.584 -8.484 804 HA LYS 108 HA LYS 108 -11.645 -6.793 -10.204 805 1HB LYS 108 2HB LYS 108 -11.485 -4.598 -11.136 806 2HB LYS 108 1HB LYS 108 -10.029 -4.237 -10.250 807 1HG LYS 108 2HG LYS 108 -9.631 -4.375 -12.627 808 2HG LYS 108 1HG LYS 108 -8.617 -5.453 -11.685 809 1HD LYS 108 1HD LYS 108 -9.405 -6.430 -13.810 810 2HD LYS 108 2HD LYS 108 -9.821 -7.390 -12.401 811 1HE LYS 108 1HE LYS 108 -12.161 -6.480 -12.488 812 2HE LYS 108 2HE LYS 108 -11.701 -5.452 -13.859 813 1HZ LYS 108 1HZ LYS 108 -11.252 -7.440 -15.103 814 2HZ LYS 108 3HZ LYS 108 -11.670 -8.387 -13.820 815 3HZ LYS 108 2HZ LYS 108 -12.804 -7.441 -14.549 816 H HIS 109 HN HIS 109 -8.552 -5.592 -8.843 817 HA HIS 109 HA HIS 109 -7.090 -7.808 -10.019 818 1HB HIS 109 1HB HIS 109 -6.281 -5.595 -8.093 819 2HB HIS 109 2HB HIS 109 -5.166 -6.747 -8.846 820 HD2 HIS 109 HD2 HIS 109 -6.799 -3.398 -9.697 821 HE1 HIS 109 HE1 HIS 109 -5.435 -5.008 -13.337 822 HE2 HIS 109 HE2 HIS 109 -6.354 -2.910 -12.230 823 H ALA 110 HN ALA 110 -8.778 -7.442 -7.011 824 HA ALA 110 HA ALA 110 -7.622 -8.826 -5.087 825 1HB ALA 110 3HB ALA 110 -9.963 -8.095 -4.991 826 2HB ALA 110 2HB ALA 110 -10.431 -9.402 -6.103 827 3HB ALA 110 1HB ALA 110 -9.808 -9.784 -4.489 828 H ALA 111 HN ALA 111 -9.127 -10.482 -7.884 829 HA ALA 111 HA ALA 111 -9.058 -12.656 -8.611 830 1HB ALA 111 3HB ALA 111 -6.790 -11.907 -9.209 831 2HB ALA 111 2HB ALA 111 -6.163 -12.434 -7.637 832 3HB ALA 111 1HB ALA 111 -6.796 -13.628 -8.792 833 H ALA 112 HN ALA 112 -6.737 -14.217 -6.598 834 HA ALA 112 HA ALA 112 -8.246 -14.762 -4.305 835 1HB ALA 112 1HB ALA 112 -8.251 -16.889 -6.508 836 2HB ALA 112 2HB ALA 112 -8.713 -17.163 -4.815 837 3HB ALA 112 3HB ALA 112 -9.693 -16.093 -5.835 No H/Q in entry = 837 Start of MODEL 11 1 1H GLY 1 2HN GLY 1 -0.255 -5.630 9.530 2 2H GLY 1 1HN GLY 1 0.801 -4.492 10.159 3 3H GLY 1 3HN GLY 1 0.686 -4.767 8.518 4 1HA GLY 1 1HA GLY 1 2.641 -5.807 9.219 5 2HA GLY 1 2HA GLY 1 1.710 -6.694 10.449 6 H GLY 2 HN GLY 2 3.114 -8.252 8.664 7 1HA GLY 2 1HA GLY 2 2.839 -9.992 7.207 8 2HA GLY 2 2HA GLY 2 1.093 -9.892 7.519 9 H SER 3 HN SER 3 -0.101 -9.456 5.658 10 HA SER 3 HA SER 3 1.296 -8.612 3.289 11 1HB SER 3 2HB SER 3 -0.660 -9.047 2.182 12 2HB SER 3 1HB SER 3 -0.658 -10.262 3.440 13 HG SER 3 HG SER 3 -2.489 -8.430 2.840 14 H VAL 4 HN VAL 4 -0.455 -6.856 5.811 15 HA VAL 4 HA VAL 4 -0.643 -4.495 4.036 16 HB VAL 4 HB VAL 4 -2.264 -3.715 5.374 17 1HG1 VAL 4 2HG12 VAL 4 -3.051 -5.791 4.200 18 2HG1 VAL 4 1HG11 VAL 4 -2.736 -6.724 5.679 19 3HG1 VAL 4 3HG13 VAL 4 -3.972 -5.473 5.686 20 1HG2 VAL 4 3HG23 VAL 4 -1.320 -3.758 7.557 21 2HG2 VAL 4 2HG22 VAL 4 -2.958 -4.411 7.587 22 3HG2 VAL 4 1HG21 VAL 4 -1.578 -5.529 7.657 23 H ILE 5 HN ILE 5 0.610 -2.889 4.177 24 HA ILE 5 HA ILE 5 2.455 -2.568 6.475 25 HB ILE 5 HB ILE 5 3.064 -3.112 3.537 26 1HG1 ILE 5 1HG11 ILE 5 2.909 -5.155 4.887 27 2HG1 ILE 5 2HG12 ILE 5 4.529 -4.819 4.308 28 1HG2 ILE 5 3HG23 ILE 5 4.910 -1.957 5.633 29 2HG2 ILE 5 1HG21 ILE 5 5.457 -2.721 4.113 30 3HG2 ILE 5 2HG22 ILE 5 4.456 -1.271 4.047 31 1HD1 ILE 5 2HD12 ILE 5 5.252 -4.065 6.526 32 2HD1 ILE 5 1HD11 ILE 5 3.615 -4.325 7.172 33 3HD1 ILE 5 3HD13 ILE 5 4.566 -5.694 6.588 34 H VAL 6 HN VAL 6 3.238 -0.604 6.746 35 HA VAL 6 HA VAL 6 2.643 1.571 4.880 36 HB VAL 6 HB VAL 6 2.232 3.096 6.774 37 1HG1 VAL 6 2HG12 VAL 6 0.300 2.018 5.614 38 2HG1 VAL 6 3HG13 VAL 6 0.293 0.743 6.846 39 3HG1 VAL 6 1HG11 VAL 6 -0.050 2.421 7.300 40 1HG2 VAL 6 1HG21 VAL 6 2.237 0.607 8.542 41 2HG2 VAL 6 2HG22 VAL 6 3.341 1.998 8.651 42 3HG2 VAL 6 3HG23 VAL 6 1.632 2.200 9.023 43 H ILE 7 HN ILE 7 4.670 2.315 4.237 44 HA ILE 7 HA ILE 7 6.850 2.147 6.209 45 HB ILE 7 HB ILE 7 6.426 -0.122 4.880 46 1HG1 ILE 7 1HG11 ILE 7 9.029 -0.354 4.659 47 2HG1 ILE 7 2HG12 ILE 7 9.086 1.181 5.486 48 1HG2 ILE 7 3HG23 ILE 7 6.315 0.982 2.658 49 2HG2 ILE 7 1HG21 ILE 7 8.048 1.366 2.777 50 3HG2 ILE 7 2HG22 ILE 7 7.510 -0.316 2.755 51 1HD1 ILE 7 1HD11 ILE 7 7.577 -1.283 6.489 52 2HD1 ILE 7 3HD13 ILE 7 9.173 -0.754 7.046 53 3HD1 ILE 7 2HD12 ILE 7 7.742 0.252 7.352 54 H ASP 8 HN ASP 8 8.770 3.074 5.570 55 HA ASP 8 HA ASP 8 8.757 4.920 3.264 56 1HB ASP 8 1HB ASP 8 9.726 6.613 4.796 57 2HB ASP 8 2HB ASP 8 8.183 6.077 5.451 58 H SER 9 HN SER 9 9.814 2.251 3.428 59 HA SER 9 HA SER 9 12.590 2.751 2.719 60 1HB SER 9 1HB SER 9 11.859 1.092 5.159 61 2HB SER 9 2HB SER 9 13.385 0.907 4.274 62 HG SER 9 HG SER 9 12.622 3.491 5.070 63 H LYS 10 HN LYS 10 13.079 1.396 1.094 64 HA LYS 10 HA LYS 10 11.254 -0.185 -0.249 65 1HB LYS 10 2HB LYS 10 13.231 -1.159 -1.363 66 2HB LYS 10 1HB LYS 10 13.231 0.618 -1.278 67 1HG LYS 10 2HG LYS 10 14.937 0.494 0.559 68 2HG LYS 10 1HG LYS 10 14.870 -1.271 0.477 69 1HD LYS 10 1HD LYS 10 16.815 -0.488 -0.703 70 2HD LYS 10 2HD LYS 10 15.694 -1.295 -1.798 71 1HE LYS 10 1HE LYS 10 16.712 0.722 -2.801 72 2HE LYS 10 2HE LYS 10 14.957 0.864 -2.716 73 1HZ LYS 10 3HZ LYS 10 16.866 2.045 -0.814 74 2HZ LYS 10 2HZ LYS 10 16.087 2.855 -2.017 75 3HZ LYS 10 1HZ LYS 10 15.228 2.221 -0.764 76 H ALA 11 HN ALA 11 13.475 -1.137 2.227 77 HA ALA 11 HA ALA 11 13.741 -3.798 2.334 78 1HB ALA 11 1HB ALA 11 12.838 -2.094 4.692 79 2HB ALA 11 3HB ALA 11 13.606 -3.693 4.796 80 3HB ALA 11 2HB ALA 11 14.501 -2.323 4.115 81 H ALA 12 HN ALA 12 10.780 -2.340 3.803 82 HA ALA 12 HA ALA 12 9.543 -4.905 4.193 83 1HB ALA 12 2HB ALA 12 9.052 -2.795 5.478 84 2HB ALA 12 1HB ALA 12 8.137 -2.228 4.049 85 3HB ALA 12 3HB ALA 12 7.621 -3.680 4.914 86 H TRP 13 HN TRP 13 9.561 -2.605 1.503 87 HA TRP 13 HA TRP 13 7.162 -3.546 0.201 88 1HB TRP 13 2HB TRP 13 7.568 -1.605 -0.785 89 2HB TRP 13 1HB TRP 13 9.209 -1.516 -0.234 90 HD1 TRP 13 HD1 TRP 13 11.049 -2.928 -1.915 91 HE1 TRP 13 HE1 TRP 13 11.175 -2.857 -4.464 92 HE3 TRP 13 HE3 TRP 13 6.369 -1.088 -2.930 93 HZ2 TRP 13 HZ2 TRP 13 9.558 -2.037 -6.632 94 HZ3 TRP 13 HZ3 TRP 13 5.831 -0.408 -5.244 95 HH2 TRP 13 HH2 TRP 13 7.368 -0.948 -7.115 96 H ASP 14 HN ASP 14 10.670 -4.238 -0.189 97 HA ASP 14 HA ASP 14 10.217 -6.241 -2.226 98 1HB ASP 14 1HB ASP 14 12.526 -6.832 -1.982 99 2HB ASP 14 2HB ASP 14 12.300 -5.076 -1.991 100 H ALA 15 HN ALA 15 10.997 -6.444 1.184 101 HA ALA 15 HA ALA 15 10.882 -9.171 1.604 102 1HB ALA 15 1HB ALA 15 11.428 -7.512 3.368 103 2HB ALA 15 2HB ALA 15 9.702 -7.096 3.499 104 3HB ALA 15 3HB ALA 15 10.266 -8.721 3.934 105 H GLN 16 HN GLN 16 8.034 -7.002 1.713 106 HA GLN 16 HA GLN 16 6.175 -9.204 2.049 107 1HB GLN 16 1HB GLN 16 5.895 -6.265 1.646 108 2HB GLN 16 2HB GLN 16 4.620 -7.265 0.979 109 1HG GLN 16 1HG GLN 16 3.992 -6.751 3.145 110 2HG GLN 16 2HG GLN 16 4.274 -8.463 3.065 111 1HE2 GLN 16 1HE21 GLN 16 7.211 -6.297 5.097 112 2HE2 GLN 16 2HE22 GLN 16 6.729 -5.794 3.489 113 H LEU 17 HN LEU 17 7.145 -7.259 -0.840 114 HA LEU 17 HA LEU 17 5.553 -8.451 -2.769 115 1HB LEU 17 2HB LEU 17 8.356 -7.399 -2.715 116 2HB LEU 17 1HB LEU 17 7.982 -8.429 -4.073 117 HG LEU 17 HG LEU 17 6.162 -6.114 -3.370 118 1HD1 LEU 17 2HD22 LEU 17 8.651 -6.026 -5.133 119 2HD1 LEU 17 3HD23 LEU 17 7.420 -4.750 -5.017 120 3HD1 LEU 17 1HD21 LEU 17 8.413 -5.148 -3.608 121 1HD2 LEU 17 2HD12 LEU 17 5.397 -7.858 -4.997 122 2HD2 LEU 17 1HD11 LEU 17 5.637 -6.291 -5.800 123 3HD2 LEU 17 3HD13 LEU 17 6.843 -7.575 -5.978 124 H ALA 18 HN ALA 18 8.649 -9.745 -1.540 125 HA ALA 18 HA ALA 18 8.577 -12.185 -2.973 126 1HB ALA 18 3HB ALA 18 9.907 -11.491 -0.315 127 2HB ALA 18 2HB ALA 18 10.279 -12.905 -1.328 128 3HB ALA 18 1HB ALA 18 10.589 -11.265 -1.937 129 H LYS 19 HN LYS 19 7.933 -11.913 0.626 130 HA LYS 19 HA LYS 19 6.990 -14.607 0.716 131 1HB LYS 19 2HB LYS 19 6.278 -14.167 2.945 132 2HB LYS 19 1HB LYS 19 7.811 -13.326 2.682 133 1HG LYS 19 2HG LYS 19 6.568 -11.218 2.412 134 2HG LYS 19 1HG LYS 19 5.027 -12.048 2.595 135 1HD LYS 19 1HD LYS 19 5.412 -11.075 4.694 136 2HD LYS 19 2HD LYS 19 5.721 -12.802 4.885 137 1HE LYS 19 1HE LYS 19 7.401 -11.509 6.078 138 2HE LYS 19 2HE LYS 19 8.194 -12.333 4.727 139 1HZ LYS 19 2HZ LYS 19 7.277 -9.536 4.734 140 2HZ LYS 19 1HZ LYS 19 8.837 -10.032 4.951 141 3HZ LYS 19 3HZ LYS 19 8.089 -10.291 3.504 142 H GLY 20 HN GLY 20 5.348 -11.645 -0.102 143 1HA GLY 20 1HA GLY 20 2.652 -12.365 0.317 144 2HA GLY 20 2HA GLY 20 3.283 -11.117 -0.763 145 H LYS 21 HN LYS 21 4.974 -13.242 -2.237 146 HA LYS 21 HA LYS 21 4.820 -14.434 -4.143 147 1HB LYS 21 2HB LYS 21 2.263 -15.536 -2.902 148 2HB LYS 21 1HB LYS 21 3.113 -16.200 -4.302 149 1HG LYS 21 2HG LYS 21 5.170 -16.485 -2.934 150 2HG LYS 21 1HG LYS 21 4.293 -15.935 -1.502 151 1HD LYS 21 2HD LYS 21 3.556 -18.376 -3.185 152 2HD LYS 21 1HD LYS 21 4.485 -18.411 -1.676 153 1HE LYS 21 2HE LYS 21 2.538 -17.342 -0.488 154 2HE LYS 21 1HE LYS 21 1.589 -17.486 -1.980 155 1HZ LYS 21 2HZ LYS 21 1.908 -19.844 -1.891 156 2HZ LYS 21 3HZ LYS 21 2.782 -19.715 -0.498 157 3HZ LYS 21 1HZ LYS 21 1.189 -19.296 -0.512 158 H GLU 22 HN GLU 22 4.535 -12.213 -4.892 159 HA GLU 22 HA GLU 22 2.271 -10.946 -5.835 160 1HB GLU 22 2HB GLU 22 3.804 -9.977 -7.541 161 2HB GLU 22 1HB GLU 22 4.424 -9.878 -5.898 162 1HG GLU 22 1HG GLU 22 5.299 -12.189 -7.661 163 2HG GLU 22 2HG GLU 22 5.992 -10.588 -7.890 164 H GLU 23 HN GLU 23 3.567 -13.883 -7.039 165 HA GLU 23 HA GLU 23 2.976 -14.274 -9.641 166 1HB GLU 23 1HB GLU 23 2.203 -16.053 -7.281 167 2HB GLU 23 2HB GLU 23 2.265 -16.577 -8.971 168 1HG GLU 23 1HG GLU 23 4.667 -16.114 -9.082 169 2HG GLU 23 2HG GLU 23 4.674 -15.485 -7.429 170 H HIS 24 HN HIS 24 0.532 -14.515 -7.018 171 HA HIS 24 HA HIS 24 -1.503 -13.519 -8.919 172 1HB HIS 24 2HB HIS 24 -1.824 -15.983 -8.846 173 2HB HIS 24 1HB HIS 24 -1.797 -15.943 -7.076 174 HD2 HIS 24 HD2 HIS 24 -4.175 -15.340 -5.831 175 HE1 HIS 24 HE1 HIS 24 -6.375 -14.384 -9.308 176 HE2 HIS 24 HE2 HIS 24 -6.536 -14.710 -6.779 177 H LYS 25 HN LYS 25 -0.090 -13.085 -6.067 178 HA LYS 25 HA LYS 25 -2.503 -12.080 -4.651 179 1HB LYS 25 2HB LYS 25 0.359 -12.494 -3.887 180 2HB LYS 25 1HB LYS 25 -0.514 -11.193 -3.102 181 1HG LYS 25 2HG LYS 25 -0.682 -13.239 -1.782 182 2HG LYS 25 1HG LYS 25 -2.219 -12.591 -2.303 183 1HD LYS 25 2HD LYS 25 -2.026 -14.392 -4.268 184 2HD LYS 25 1HD LYS 25 -0.793 -15.096 -3.218 185 1HE LYS 25 1HE LYS 25 -2.921 -16.156 -2.731 186 2HE LYS 25 2HE LYS 25 -2.573 -15.084 -1.362 187 1HZ LYS 25 1HZ LYS 25 -4.351 -14.479 -3.631 188 2HZ LYS 25 3HZ LYS 25 -4.830 -14.888 -2.114 189 3HZ LYS 25 2HZ LYS 25 -4.050 -13.461 -2.374 190 HA PRO 26 HA PRO 26 -1.713 -8.277 -6.964 191 1HB PRO 26 1HB PRO 26 -3.755 -6.702 -5.996 192 2HB PRO 26 2HB PRO 26 -4.005 -7.972 -7.229 193 1HG PRO 26 1HG PRO 26 -4.286 -8.242 -4.256 194 2HG PRO 26 2HG PRO 26 -5.539 -8.634 -5.453 195 1HD PRO 26 1HD PRO 26 -3.946 -10.530 -4.394 196 2HD PRO 26 2HD PRO 26 -4.172 -10.562 -6.166 197 H ILE 27 HN ILE 27 -0.237 -6.857 -6.471 198 HA ILE 27 HA ILE 27 0.337 -6.216 -3.644 199 HB ILE 27 HB ILE 27 2.003 -5.742 -6.140 200 1HG1 ILE 27 1HG11 ILE 27 1.581 -8.095 -5.944 201 2HG1 ILE 27 2HG12 ILE 27 3.283 -7.667 -5.780 202 1HG2 ILE 27 1HG21 ILE 27 2.655 -5.703 -3.152 203 2HG2 ILE 27 3HG23 ILE 27 3.873 -5.601 -4.440 204 3HG2 ILE 27 2HG22 ILE 27 2.660 -4.331 -4.266 205 1HD1 ILE 27 2HD12 ILE 27 3.018 -7.930 -3.270 206 2HD1 ILE 27 3HD13 ILE 27 1.343 -8.465 -3.620 207 3HD1 ILE 27 1HD11 ILE 27 2.725 -9.414 -4.188 208 H VAL 28 HN VAL 28 -1.137 -4.591 -3.311 209 HA VAL 28 HA VAL 28 -1.421 -2.441 -5.364 210 HB VAL 28 HB VAL 28 -3.521 -3.272 -4.421 211 1HG1 VAL 28 1HG21 VAL 28 -2.907 -3.819 -2.138 212 2HG1 VAL 28 2HG22 VAL 28 -2.731 -2.091 -1.772 213 3HG1 VAL 28 3HG23 VAL 28 -4.301 -2.744 -2.253 214 1HG2 VAL 28 1HG11 VAL 28 -2.844 -0.374 -3.902 215 2HG2 VAL 28 3HG13 VAL 28 -3.366 -1.101 -5.426 216 3HG2 VAL 28 2HG12 VAL 28 -4.484 -1.062 -4.059 217 H VAL 29 HN VAL 29 -0.028 -0.796 -5.264 218 HA VAL 29 HA VAL 29 1.372 -0.258 -2.697 219 HB VAL 29 HB VAL 29 2.317 0.776 -5.366 220 1HG1 VAL 29 2HG22 VAL 29 3.207 1.646 -3.174 221 2HG1 VAL 29 1HG21 VAL 29 3.797 0.009 -2.825 222 3HG1 VAL 29 3HG23 VAL 29 4.420 0.914 -4.216 223 1HG2 VAL 29 1HG11 VAL 29 2.890 -1.964 -4.218 224 2HG2 VAL 29 3HG13 VAL 29 2.055 -1.596 -5.747 225 3HG2 VAL 29 2HG12 VAL 29 3.762 -1.190 -5.566 226 H ASP 30 HN ASP 30 0.717 1.539 -1.652 227 HA ASP 30 HA ASP 30 -0.662 3.726 -3.185 228 1HB ASP 30 1HB ASP 30 -1.893 2.964 -1.231 229 2HB ASP 30 2HB ASP 30 -0.521 3.224 -0.186 230 H PHE 31 HN PHE 31 1.190 4.520 -4.200 231 HA PHE 31 HA PHE 31 3.596 5.243 -2.641 232 1HB PHE 31 2HB PHE 31 2.756 5.678 -5.520 233 2HB PHE 31 1HB PHE 31 4.206 6.349 -4.813 234 HD1 PHE 31 HD2 PHE 31 5.948 4.768 -3.774 235 HD2 PHE 31 HD1 PHE 31 2.824 3.442 -6.431 236 HE1 PHE 31 HE2 PHE 31 7.505 3.137 -4.779 237 HE2 PHE 31 HE1 PHE 31 4.395 1.806 -7.434 238 HZ PHE 31 HZ PHE 31 6.769 1.761 -6.742 239 H THR 32 HN THR 32 2.932 6.757 -1.149 240 HA THR 32 HA THR 32 1.588 9.286 -2.099 241 HB THR 32 HB THR 32 0.088 7.941 -0.693 242 HG1 THR 32 HG1 THR 32 -0.326 9.602 0.751 243 1HG2 THR 32 1HG21 THR 32 1.768 6.698 0.663 244 2HG2 THR 32 3HG23 THR 32 2.220 8.208 1.486 245 3HG2 THR 32 2HG22 THR 32 0.588 7.540 1.675 246 H ALA 33 HN ALA 33 2.113 10.877 0.042 247 HA ALA 33 HA ALA 33 5.065 10.780 0.458 248 1HB ALA 33 1HB ALA 33 4.649 12.146 -1.604 249 2HB ALA 33 3HB ALA 33 3.663 13.247 -0.628 250 3HB ALA 33 2HB ALA 33 5.383 13.048 -0.265 251 H THR 34 HN THR 34 5.686 11.548 2.435 252 HA THR 34 HA THR 34 4.129 11.958 4.655 253 HB THR 34 HB THR 34 6.136 13.604 5.256 254 HG1 THR 34 HG1 THR 34 7.889 13.151 3.669 255 1HG2 THR 34 2HG22 THR 34 6.560 10.682 4.519 256 2HG2 THR 34 3HG23 THR 34 7.706 11.664 5.451 257 3HG2 THR 34 1HG21 THR 34 6.085 11.334 6.091 258 H TRP 35 HN TRP 35 5.483 14.516 2.657 259 HA TRP 35 HA TRP 35 3.942 16.655 3.804 260 1HB TRP 35 1HB TRP 35 5.009 17.948 1.877 261 2HB TRP 35 2HB TRP 35 6.065 17.169 3.038 262 HD1 TRP 35 HD1 TRP 35 7.842 15.543 2.191 263 HE1 TRP 35 HE1 TRP 35 8.603 14.687 -0.082 264 HE3 TRP 35 HE3 TRP 35 3.926 17.246 -0.652 265 HZ2 TRP 35 HZ2 TRP 35 7.602 14.654 -2.789 266 HZ3 TRP 35 HZ3 TRP 35 3.911 16.848 -3.090 267 HH2 TRP 35 HH2 TRP 35 5.703 15.501 -4.162 268 H CYS 36 HN CYS 36 2.499 14.303 1.952 269 HA CYS 36 HA CYS 36 1.101 16.047 0.089 270 1HB CYS 36 2HB CYS 36 -0.078 14.240 -0.582 271 2HB CYS 36 1HB CYS 36 1.429 13.474 -0.088 272 H GLY 37 HN GLY 37 0.914 15.679 3.460 273 1HA GLY 37 1HA GLY 37 -0.570 16.309 5.065 274 2HA GLY 37 2HA GLY 37 -0.919 17.619 3.931 275 HA PRO 38 HA PRO 38 -5.168 16.185 4.216 276 1HB PRO 38 1HB PRO 38 -5.159 17.103 1.319 277 2HB PRO 38 2HB PRO 38 -6.453 17.317 2.537 278 1HG PRO 38 1HG PRO 38 -4.739 19.352 2.059 279 2HG PRO 38 2HG PRO 38 -5.119 18.912 3.751 280 1HD PRO 38 2HD PRO 38 -2.655 18.217 2.148 281 2HD PRO 38 1HD PRO 38 -2.812 18.717 3.860 282 H CYS 39 HN CYS 39 -3.274 15.232 1.345 283 HA CYS 39 HA CYS 39 -5.039 13.169 0.464 284 1HB CYS 39 1HB CYS 39 -3.578 12.925 -1.160 285 2HB CYS 39 2HB CYS 39 -2.604 14.201 -0.441 286 H LYS 40 HN LYS 40 -2.803 13.250 3.182 287 HA LYS 40 HA LYS 40 -2.286 10.522 3.499 288 1HB LYS 40 2HB LYS 40 -1.371 12.591 4.781 289 2HB LYS 40 1HB LYS 40 -2.816 12.468 5.775 290 1HG LYS 40 1HG LYS 40 -0.984 11.394 6.902 291 2HG LYS 40 2HG LYS 40 -2.143 10.156 6.436 292 1HD LYS 40 1HD LYS 40 0.248 9.500 6.106 293 2HD LYS 40 2HD LYS 40 -0.717 9.366 4.642 294 1HE LYS 40 2HE LYS 40 1.553 10.335 4.240 295 2HE LYS 40 1HE LYS 40 0.260 11.412 3.727 296 1HZ LYS 40 1HZ LYS 40 0.532 12.599 5.803 297 2HZ LYS 40 3HZ LYS 40 1.783 11.614 6.231 298 3HZ LYS 40 2HZ LYS 40 1.913 12.605 4.916 299 H MET 41 HN MET 41 -5.296 12.286 4.020 300 HA MET 41 HA MET 41 -6.614 10.476 5.803 301 1HB MET 41 1HB MET 41 -7.694 12.269 3.575 302 2HB MET 41 2HB MET 41 -8.685 11.459 4.802 303 1HG MET 41 1HG MET 41 -7.336 12.577 6.572 304 2HG MET 41 2HG MET 41 -6.554 13.568 5.348 305 1HE MET 41 2HE MET 41 -7.767 15.385 3.898 306 2HE MET 41 1HE MET 41 -9.000 14.227 3.335 307 3HE MET 41 3HE MET 41 -9.494 15.784 4.036 308 H ILE 42 HN ILE 42 -5.745 10.086 2.453 309 HA ILE 42 HA ILE 42 -7.716 8.059 1.811 310 HB ILE 42 HB ILE 42 -4.943 8.601 0.676 311 1HG1 ILE 42 1HG11 ILE 42 -7.593 9.429 -0.584 312 2HG1 ILE 42 2HG12 ILE 42 -6.788 10.490 0.571 313 1HG2 ILE 42 2HG22 ILE 42 -7.285 6.955 -0.371 314 2HG2 ILE 42 1HG21 ILE 42 -5.884 7.422 -1.355 315 3HG2 ILE 42 3HG23 ILE 42 -5.660 6.370 0.043 316 1HD1 ILE 42 2HD12 ILE 42 -4.692 10.356 -0.782 317 2HD1 ILE 42 1HD11 ILE 42 -5.622 9.557 -2.064 318 3HD1 ILE 42 3HD13 ILE 42 -6.034 11.206 -1.540 319 H ALA 43 HN ALA 43 -4.593 8.096 3.497 320 HA ALA 43 HA ALA 43 -3.851 5.419 3.186 321 1HB ALA 43 3HB ALA 43 -2.367 7.160 4.087 322 2HB ALA 43 2HB ALA 43 -3.298 7.217 5.595 323 3HB ALA 43 1HB ALA 43 -2.434 5.740 5.146 324 HA PRO 44 HA PRO 44 -6.160 4.136 7.221 325 1HB PRO 44 1HB PRO 44 -8.373 5.599 8.026 326 2HB PRO 44 2HB PRO 44 -6.724 5.795 8.682 327 1HG PRO 44 1HG PRO 44 -8.028 7.383 6.461 328 2HG PRO 44 2HG PRO 44 -7.164 8.019 7.895 329 1HD PRO 44 1HD PRO 44 -5.851 7.824 5.585 330 2HD PRO 44 2HD PRO 44 -5.055 7.245 7.063 331 H LEU 45 HN LEU 45 -7.974 5.769 4.645 332 HA LEU 45 HA LEU 45 -10.182 3.909 4.553 333 1HB LEU 45 1HB LEU 45 -8.979 5.985 2.734 334 2HB LEU 45 2HB LEU 45 -9.934 4.741 1.961 335 HG LEU 45 HG LEU 45 -11.136 6.857 2.556 336 1HD1 LEU 45 1HD21 LEU 45 -12.369 4.748 2.183 337 2HD1 LEU 45 3HD23 LEU 45 -12.289 4.385 3.922 338 3HD1 LEU 45 2HD22 LEU 45 -13.180 5.806 3.350 339 1HD2 LEU 45 3HD13 LEU 45 -10.036 7.306 4.723 340 2HD2 LEU 45 1HD11 LEU 45 -11.803 7.344 4.827 341 3HD2 LEU 45 2HD12 LEU 45 -10.915 5.944 5.453 342 H PHE 46 HN PHE 46 -7.166 4.127 2.655 343 HA PHE 46 HA PHE 46 -7.406 1.633 1.295 344 1HB PHE 46 2HB PHE 46 -5.869 3.353 0.606 345 2HB PHE 46 1HB PHE 46 -5.063 3.338 2.154 346 HD1 PHE 46 HD1 PHE 46 -5.780 1.042 -0.817 347 HD2 PHE 46 HD2 PHE 46 -3.062 2.080 2.371 348 HE1 PHE 46 HE1 PHE 46 -3.937 -0.034 -2.006 349 HE2 PHE 46 HE2 PHE 46 -1.267 0.798 1.251 350 HZ PHE 46 HZ PHE 46 -1.643 -0.124 -1.017 351 H GLU 47 HN GLU 47 -6.075 2.453 4.519 352 HA GLU 47 HA GLU 47 -5.082 -0.102 5.206 353 1HB GLU 47 2HB GLU 47 -4.780 2.197 6.361 354 2HB GLU 47 1HB GLU 47 -6.273 1.803 7.233 355 1HG GLU 47 2HG GLU 47 -3.682 0.175 7.154 356 2HG GLU 47 1HG GLU 47 -4.209 1.215 8.481 357 H THR 48 HN THR 48 -8.357 1.357 5.593 358 HA THR 48 HA THR 48 -9.523 -0.823 7.013 359 HB THR 48 HB THR 48 -10.906 1.000 4.990 360 HG1 THR 48 HG1 THR 48 -9.724 2.135 6.664 361 1HG2 THR 48 1HG21 THR 48 -11.938 -0.512 7.427 362 2HG2 THR 48 3HG23 THR 48 -12.878 0.607 6.420 363 3HG2 THR 48 2HG22 THR 48 -12.288 -0.917 5.732 364 H LEU 49 HN LEU 49 -9.256 -0.132 3.479 365 HA LEU 49 HA LEU 49 -10.429 -2.584 2.641 366 1HB LEU 49 2HB LEU 49 -9.836 -0.478 1.261 367 2HB LEU 49 1HB LEU 49 -8.201 -1.143 1.158 368 HG LEU 49 HG LEU 49 -9.214 -3.185 0.055 369 1HD1 LEU 49 2HD22 LEU 49 -11.728 -1.462 0.295 370 2HD1 LEU 49 3HD23 LEU 49 -11.558 -2.737 -0.918 371 3HD1 LEU 49 1HD21 LEU 49 -11.524 -3.147 0.805 372 1HD2 LEU 49 3HD13 LEU 49 -8.250 -1.248 -1.217 373 2HD2 LEU 49 2HD12 LEU 49 -9.561 -2.060 -2.084 374 3HD2 LEU 49 1HD11 LEU 49 -9.855 -0.508 -1.268 375 H SER 50 HN SER 50 -7.122 -1.742 3.622 376 HA SER 50 HA SER 50 -5.818 -4.160 2.960 377 1HB SER 50 2HB SER 50 -5.053 -2.534 5.385 378 2HB SER 50 1HB SER 50 -4.110 -3.581 4.343 379 HG SER 50 HG SER 50 -5.303 -1.389 3.124 380 H ASN 51 HN ASN 51 -7.489 -3.242 5.972 381 HA ASN 51 HA ASN 51 -7.156 -5.739 7.323 382 1HB ASN 51 2HB ASN 51 -7.982 -3.933 8.602 383 2HB ASN 51 1HB ASN 51 -9.242 -3.524 7.445 384 1HD2 ASN 51 2HD22 ASN 51 -11.613 -5.847 8.709 385 2HD2 ASN 51 1HD21 ASN 51 -11.266 -4.794 7.353 386 H ASP 52 HN ASP 52 -9.830 -4.520 5.286 387 HA ASP 52 HA ASP 52 -11.472 -6.767 5.392 388 1HB ASP 52 2HB ASP 52 -11.122 -4.853 3.048 389 2HB ASP 52 1HB ASP 52 -12.521 -5.887 3.353 390 H TYR 53 HN TYR 53 -8.841 -6.154 3.002 391 HA TYR 53 HA TYR 53 -9.156 -8.950 1.966 392 1HB TYR 53 1HB TYR 53 -7.923 -6.399 0.927 393 2HB TYR 53 2HB TYR 53 -7.635 -7.957 0.183 394 HD1 TYR 53 HD1 TYR 53 -10.280 -5.449 0.897 395 HD2 TYR 53 HD2 TYR 53 -9.092 -8.896 -1.400 396 HE1 TYR 53 HE1 TYR 53 -12.001 -4.923 -0.790 397 HE2 TYR 53 HE2 TYR 53 -10.674 -8.245 -3.179 398 HH TYR 53 HH TYR 53 -12.867 -5.441 -2.865 399 H ALA 54 HN ALA 54 -7.839 -8.303 4.626 400 HA ALA 54 HA ALA 54 -5.055 -8.272 4.401 401 1HB ALA 54 3HB ALA 54 -6.804 -9.696 6.457 402 2HB ALA 54 2HB ALA 54 -5.069 -9.357 6.646 403 3HB ALA 54 1HB ALA 54 -6.220 -8.016 6.534 404 H GLY 55 HN GLY 55 -3.424 -9.815 4.186 405 1HA GLY 55 1HA GLY 55 -2.435 -11.861 3.828 406 2HA GLY 55 2HA GLY 55 -3.992 -12.670 4.052 407 H LYS 56 HN LYS 56 -5.638 -11.884 2.196 408 HA LYS 56 HA LYS 56 -4.709 -13.200 -0.153 409 1HB LYS 56 2HB LYS 56 -7.155 -11.417 0.251 410 2HB LYS 56 1HB LYS 56 -6.829 -12.454 -1.145 411 1HG LYS 56 1HG LYS 56 -6.626 -14.409 0.570 412 2HG LYS 56 2HG LYS 56 -7.347 -13.289 1.735 413 1HD LYS 56 2HD LYS 56 -9.125 -14.605 0.846 414 2HD LYS 56 1HD LYS 56 -9.294 -12.999 0.116 415 1HE LYS 56 2HE LYS 56 -8.254 -13.851 -1.995 416 2HE LYS 56 1HE LYS 56 -7.944 -15.409 -1.228 417 1HZ LYS 56 2HZ LYS 56 -10.587 -14.234 -1.711 418 2HZ LYS 56 3HZ LYS 56 -9.842 -15.395 -2.615 419 3HZ LYS 56 1HZ LYS 56 -10.290 -15.724 -1.057 420 H VAL 57 HN VAL 57 -4.762 -9.735 0.651 421 HA VAL 57 HA VAL 57 -3.481 -9.134 -2.010 422 HB VAL 57 HB VAL 57 -5.471 -7.587 -0.361 423 1HG1 VAL 57 3HG13 VAL 57 -3.855 -6.012 -1.326 424 2HG1 VAL 57 2HG12 VAL 57 -4.127 -6.652 -2.934 425 3HG1 VAL 57 1HG11 VAL 57 -5.437 -5.838 -2.075 426 1HG2 VAL 57 3HG23 VAL 57 -5.827 -9.000 -3.000 427 2HG2 VAL 57 2HG22 VAL 57 -6.674 -9.253 -1.489 428 3HG2 VAL 57 1HG21 VAL 57 -6.937 -7.758 -2.389 429 H ILE 58 HN ILE 58 -1.732 -7.754 -1.934 430 HA ILE 58 HA ILE 58 -0.571 -7.376 0.795 431 HB ILE 58 HB ILE 58 0.936 -7.137 -1.796 432 1HG1 ILE 58 1HG11 ILE 58 0.031 -9.337 -1.996 433 2HG1 ILE 58 2HG12 ILE 58 1.727 -9.447 -1.537 434 1HG2 ILE 58 3HG23 ILE 58 1.963 -6.256 0.250 435 2HG2 ILE 58 1HG21 ILE 58 1.805 -7.839 1.032 436 3HG2 ILE 58 2HG22 ILE 58 2.843 -7.651 -0.396 437 1HD1 ILE 58 2HD12 ILE 58 1.021 -9.977 0.810 438 2HD1 ILE 58 1HD11 ILE 58 -0.672 -10.010 0.226 439 3HD1 ILE 58 3HD13 ILE 58 0.505 -11.150 -0.409 440 H PHE 59 HN PHE 59 -0.675 -5.356 1.575 441 HA PHE 59 HA PHE 59 -1.340 -3.095 -0.287 442 1HB PHE 59 2HB PHE 59 -2.088 -3.550 2.614 443 2HB PHE 59 1HB PHE 59 -2.245 -2.020 1.782 444 HD1 PHE 59 HD2 PHE 59 -3.358 -5.607 1.650 445 HD2 PHE 59 HD1 PHE 59 -4.213 -1.511 0.643 446 HE1 PHE 59 HE2 PHE 59 -5.688 -6.181 1.145 447 HE2 PHE 59 HE1 PHE 59 -6.422 -2.174 -0.227 448 HZ PHE 59 HZ PHE 59 -7.179 -4.527 -0.018 449 H LEU 60 HN LEU 60 0.534 -2.151 -0.736 450 HA LEU 60 HA LEU 60 2.585 -1.739 1.410 451 1HB LEU 60 1HB LEU 60 2.707 -1.748 -1.631 452 2HB LEU 60 2HB LEU 60 4.081 -1.404 -0.552 453 HG LEU 60 HG LEU 60 2.558 -4.015 -0.940 454 1HD1 LEU 60 2HD22 LEU 60 4.242 -3.405 -2.659 455 2HD1 LEU 60 3HD23 LEU 60 5.471 -3.231 -1.400 456 3HD1 LEU 60 1HD21 LEU 60 4.751 -4.821 -1.720 457 1HD2 LEU 60 3HD13 LEU 60 4.699 -3.333 1.124 458 2HD2 LEU 60 2HD12 LEU 60 3.058 -3.974 1.414 459 3HD2 LEU 60 1HD11 LEU 60 4.267 -4.982 0.630 460 H LYS 61 HN LYS 61 1.616 0.189 2.403 461 HA LYS 61 HA LYS 61 1.271 2.493 0.571 462 1HB LYS 61 1HB LYS 61 -0.165 2.211 2.626 463 2HB LYS 61 2HB LYS 61 1.264 2.491 3.591 464 1HG LYS 61 1HG LYS 61 1.198 4.622 1.672 465 2HG LYS 61 2HG LYS 61 -0.463 4.366 2.171 466 1HD LYS 61 1HD LYS 61 0.464 6.013 3.642 467 2HD LYS 61 2HD LYS 61 0.215 4.524 4.556 468 1HE LYS 61 2HE LYS 61 2.363 5.605 5.140 469 2HE LYS 61 1HE LYS 61 2.659 4.025 4.417 470 1HZ LYS 61 1HZ LYS 61 2.869 6.602 3.033 471 2HZ LYS 61 3HZ LYS 61 4.120 5.660 3.547 472 3HZ LYS 61 2HZ LYS 61 3.132 5.126 2.350 473 H VAL 62 HN VAL 62 3.048 3.417 -0.250 474 HA VAL 62 HA VAL 62 5.623 3.232 1.270 475 HB VAL 62 HB VAL 62 5.040 3.110 -1.712 476 1HG1 VAL 62 1HG11 VAL 62 7.712 3.524 -0.286 477 2HG1 VAL 62 2HG12 VAL 62 7.526 3.049 -1.986 478 3HG1 VAL 62 3HG13 VAL 62 6.963 4.635 -1.455 479 1HG2 VAL 62 2HG22 VAL 62 4.943 1.000 -0.382 480 2HG2 VAL 62 1HG21 VAL 62 6.307 1.023 -1.516 481 3HG2 VAL 62 3HG23 VAL 62 6.588 1.318 0.211 482 H ASP 63 HN ASP 63 6.447 5.062 1.954 483 HA ASP 63 HA ASP 63 5.402 7.670 1.062 484 1HB ASP 63 1HB ASP 63 5.919 7.460 3.386 485 2HB ASP 63 2HB ASP 63 7.549 6.861 3.024 486 H VAL 64 HN VAL 64 6.021 8.236 -0.997 487 HA VAL 64 HA VAL 64 8.447 7.434 -2.263 488 HB VAL 64 HB VAL 64 7.936 9.080 -3.957 489 1HG1 VAL 64 3HG13 VAL 64 6.636 7.011 -3.959 490 2HG1 VAL 64 1HG11 VAL 64 5.363 7.775 -2.984 491 3HG1 VAL 64 2HG12 VAL 64 5.711 8.371 -4.614 492 1HG2 VAL 64 3HG23 VAL 64 6.000 10.312 -1.996 493 2HG2 VAL 64 2HG22 VAL 64 7.356 11.069 -2.839 494 3HG2 VAL 64 1HG21 VAL 64 5.921 10.585 -3.746 495 H ASP 65 HN ASP 65 7.667 10.186 -0.187 496 HA ASP 65 HA ASP 65 9.770 11.946 -0.762 497 1HB ASP 65 2HB ASP 65 7.836 12.375 0.768 498 2HB ASP 65 1HB ASP 65 8.578 11.318 1.972 499 H ALA 66 HN ALA 66 9.663 9.226 1.580 500 HA ALA 66 HA ALA 66 12.509 9.278 2.115 501 1HB ALA 66 1HB ALA 66 10.340 7.208 2.658 502 2HB ALA 66 3HB ALA 66 11.982 7.192 3.341 503 3HB ALA 66 2HB ALA 66 10.862 8.504 3.758 504 H VAL 67 HN VAL 67 10.373 6.881 0.400 505 HA VAL 67 HA VAL 67 12.771 5.484 -0.582 506 HB VAL 67 HB VAL 67 9.876 4.819 -1.227 507 1HG1 VAL 67 3HG23 VAL 67 11.796 3.681 -2.469 508 2HG1 VAL 67 1HG21 VAL 67 12.380 3.083 -0.915 509 3HG1 VAL 67 2HG22 VAL 67 10.789 2.572 -1.520 510 1HG2 VAL 67 3HG13 VAL 67 11.563 4.072 1.190 511 2HG2 VAL 67 1HG11 VAL 67 9.977 4.871 1.210 512 3HG2 VAL 67 2HG12 VAL 67 10.105 3.180 0.707 513 H ALA 68 HN ALA 68 13.184 7.771 -1.554 514 HA ALA 68 HA ALA 68 11.992 8.660 -3.919 515 1HB ALA 68 1HB ALA 68 13.680 9.924 -2.653 516 2HB ALA 68 2HB ALA 68 14.937 8.755 -3.118 517 3HB ALA 68 3HB ALA 68 14.160 9.766 -4.356 518 H ALA 69 HN ALA 69 14.599 6.248 -3.512 519 HA ALA 69 HA ALA 69 15.304 5.789 -6.164 520 1HB ALA 69 2HB ALA 69 16.497 4.848 -4.235 521 2HB ALA 69 3HB ALA 69 15.125 3.775 -3.877 522 3HB ALA 69 1HB ALA 69 16.051 3.566 -5.379 523 H VAL 70 HN VAL 70 12.804 3.932 -4.310 524 HA VAL 70 HA VAL 70 12.025 2.391 -6.622 525 HB VAL 70 HB VAL 70 10.399 2.960 -4.108 526 1HG1 VAL 70 1HG11 VAL 70 9.082 2.030 -6.035 527 2HG1 VAL 70 2HG12 VAL 70 10.228 0.691 -6.137 528 3HG1 VAL 70 3HG13 VAL 70 9.221 0.897 -4.684 529 1HG2 VAL 70 3HG23 VAL 70 12.619 1.879 -3.598 530 2HG2 VAL 70 1HG21 VAL 70 11.253 0.778 -3.332 531 3HG2 VAL 70 2HG22 VAL 70 12.248 0.630 -4.800 532 H ALA 71 HN ALA 71 10.762 5.349 -5.031 533 HA ALA 71 HA ALA 71 8.486 5.734 -6.625 534 1HB ALA 71 3HB ALA 71 9.083 7.085 -4.638 535 2HB ALA 71 1HB ALA 71 10.349 7.908 -5.569 536 3HB ALA 71 2HB ALA 71 8.652 8.095 -6.036 537 H GLU 72 HN GLU 72 11.818 7.018 -7.343 538 HA GLU 72 HA GLU 72 10.952 8.092 -9.877 539 1HB GLU 72 2HB GLU 72 13.251 8.570 -10.308 540 2HB GLU 72 1HB GLU 72 12.872 8.979 -8.632 541 1HG GLU 72 1HG GLU 72 13.940 6.790 -7.949 542 2HG GLU 72 2HG GLU 72 14.458 6.567 -9.622 543 H ALA 73 HN ALA 73 12.559 4.978 -8.937 544 HA ALA 73 HA ALA 73 12.956 4.000 -11.557 545 1HB ALA 73 1HB ALA 73 13.853 2.923 -9.523 546 2HB ALA 73 3HB ALA 73 12.208 2.449 -9.038 547 3HB ALA 73 2HB ALA 73 12.932 1.772 -10.509 548 H ALA 74 HN ALA 74 10.057 3.886 -9.483 549 HA ALA 74 HA ALA 74 8.427 2.450 -11.442 550 1HB ALA 74 2HB ALA 74 7.785 3.775 -8.782 551 2HB ALA 74 3HB ALA 74 6.674 2.759 -9.725 552 3HB ALA 74 1HB ALA 74 8.159 2.064 -9.054 553 H GLY 75 HN GLY 75 9.573 5.581 -11.516 554 1HA GLY 75 1HA GLY 75 8.933 7.478 -12.563 555 2HA GLY 75 2HA GLY 75 7.813 6.462 -13.493 556 H ILE 76 HN ILE 76 7.753 7.103 -9.949 557 HA ILE 76 HA ILE 76 4.930 7.840 -10.157 558 HB ILE 76 HB ILE 76 6.799 7.990 -7.753 559 1HG1 ILE 76 1HG11 ILE 76 6.693 5.726 -8.622 560 2HG1 ILE 76 2HG12 ILE 76 5.879 5.845 -7.066 561 1HG2 ILE 76 3HG23 ILE 76 3.776 8.150 -8.084 562 2HG2 ILE 76 1HG21 ILE 76 4.555 7.823 -6.530 563 3HG2 ILE 76 2HG22 ILE 76 4.852 9.355 -7.357 564 1HD1 ILE 76 1HD11 ILE 76 4.526 5.682 -9.806 565 2HD1 ILE 76 2HD12 ILE 76 4.694 4.383 -8.626 566 3HD1 ILE 76 3HD13 ILE 76 3.690 5.781 -8.234 567 H THR 77 HN THR 77 4.096 9.791 -10.212 568 HA THR 77 HA THR 77 5.766 12.230 -9.758 569 HB THR 77 HB THR 77 4.652 13.191 -11.801 570 HG1 THR 77 HG1 THR 77 3.882 11.471 -13.279 571 1HG2 THR 77 2HG22 THR 77 6.982 12.248 -11.876 572 2HG2 THR 77 1HG21 THR 77 6.308 10.694 -12.409 573 3HG2 THR 77 3HG23 THR 77 6.129 12.134 -13.425 574 H ALA 78 HN ALA 78 2.499 11.599 -10.929 575 HA ALA 78 HA ALA 78 1.282 13.513 -9.121 576 1HB ALA 78 3HB ALA 78 0.064 11.439 -10.985 577 2HB ALA 78 2HB ALA 78 -0.824 12.752 -10.179 578 3HB ALA 78 1HB ALA 78 0.427 13.131 -11.380 579 H MET 79 HN MET 79 2.358 12.349 -7.212 580 HA MET 79 HA MET 79 1.055 10.001 -6.195 581 1HB MET 79 1HB MET 79 2.275 10.370 -4.170 582 2HB MET 79 2HB MET 79 3.309 10.763 -5.538 583 1HG MET 79 2HG MET 79 3.738 12.477 -4.027 584 2HG MET 79 1HG MET 79 2.584 13.209 -5.136 585 1HE MET 79 1HE MET 79 2.395 15.113 -3.483 586 2HE MET 79 3HE MET 79 0.802 14.756 -4.185 587 3HE MET 79 2HE MET 79 0.946 15.135 -2.457 588 HA PRO 80 HA PRO 80 0.220 9.325 -4.005 589 1HB PRO 80 2HB PRO 80 -2.156 8.224 -3.247 590 2HB PRO 80 1HB PRO 80 -1.258 9.419 -2.268 591 1HG PRO 80 1HG PRO 80 -3.594 9.937 -4.113 592 2HG PRO 80 2HG PRO 80 -3.285 10.566 -2.461 593 1HD PRO 80 2HD PRO 80 -2.730 12.015 -4.736 594 2HD PRO 80 1HD PRO 80 -1.783 12.179 -3.230 595 H THR 81 HN THR 81 0.581 7.607 -5.279 596 HA THR 81 HA THR 81 -1.126 7.170 -7.695 597 HB THR 81 HB THR 81 1.835 6.708 -7.318 598 HG1 THR 81 HG1 THR 81 0.395 8.926 -8.214 599 1HG2 THR 81 3HG23 THR 81 0.080 6.592 -9.813 600 2HG2 THR 81 1HG21 THR 81 1.845 6.458 -9.795 601 3HG2 THR 81 2HG22 THR 81 0.852 5.221 -9.005 602 H PHE 82 HN PHE 82 -1.976 5.204 -7.904 603 HA PHE 82 HA PHE 82 -1.438 3.126 -5.840 604 1HB PHE 82 2HB PHE 82 -3.850 3.916 -7.443 605 2HB PHE 82 1HB PHE 82 -3.744 2.342 -6.677 606 HD1 PHE 82 HD2 PHE 82 -3.442 2.208 -4.159 607 HD2 PHE 82 HD1 PHE 82 -4.198 5.969 -6.141 608 HE1 PHE 82 HE2 PHE 82 -3.906 3.282 -1.975 609 HE2 PHE 82 HE1 PHE 82 -4.557 7.047 -3.950 610 HZ PHE 82 HZ PHE 82 -4.308 5.708 -1.839 611 H HIS 83 HN HIS 83 0.114 1.729 -6.711 612 HA HIS 83 HA HIS 83 -0.204 0.907 -9.595 613 1HB HIS 83 2HB HIS 83 2.098 0.795 -7.638 614 2HB HIS 83 1HB HIS 83 2.019 -0.235 -9.075 615 HD2 HIS 83 HD2 HIS 83 0.707 3.148 -10.035 616 HE1 HIS 83 HE1 HIS 83 4.769 2.964 -11.197 617 HE2 HIS 83 HE2 HIS 83 2.558 4.223 -11.537 618 H VAL 84 HN VAL 84 -0.209 -1.343 -10.085 619 HA VAL 84 HA VAL 84 -0.728 -3.158 -7.754 620 HB VAL 84 HB VAL 84 -2.127 -3.362 -10.431 621 1HG1 VAL 84 2HG22 VAL 84 -2.478 -4.711 -7.707 622 2HG1 VAL 84 3HG23 VAL 84 -3.538 -4.938 -9.106 623 3HG1 VAL 84 1HG21 VAL 84 -1.852 -5.471 -9.187 624 1HG2 VAL 84 3HG13 VAL 84 -3.143 -2.226 -7.784 625 2HG2 VAL 84 2HG12 VAL 84 -2.966 -1.328 -9.309 626 3HG2 VAL 84 1HG11 VAL 84 -4.153 -2.632 -9.186 627 H TYR 85 HN TYR 85 1.213 -4.271 -7.639 628 HA TYR 85 HA TYR 85 2.536 -5.038 -10.199 629 1HB TYR 85 1HB TYR 85 3.556 -5.067 -7.355 630 2HB TYR 85 2HB TYR 85 4.376 -5.840 -8.689 631 HD1 TYR 85 HD2 TYR 85 3.052 -2.578 -7.501 632 HD2 TYR 85 HD1 TYR 85 5.806 -4.580 -10.128 633 HE1 TYR 85 HE2 TYR 85 4.117 -0.406 -8.051 634 HE2 TYR 85 HE1 TYR 85 6.745 -2.383 -10.813 635 HH TYR 85 HH TYR 85 5.186 0.651 -9.847 636 H LYS 86 HN LYS 86 0.562 -6.492 -10.572 637 HA LYS 86 HA LYS 86 0.537 -9.061 -9.129 638 1HB LYS 86 1HB LYS 86 -0.692 -8.024 -11.697 639 2HB LYS 86 2HB LYS 86 -0.707 -9.741 -11.351 640 1HG LYS 86 1HG LYS 86 -1.741 -7.788 -9.293 641 2HG LYS 86 2HG LYS 86 -2.732 -8.228 -10.681 642 1HD LYS 86 1HD LYS 86 -1.597 -10.267 -8.702 643 2HD LYS 86 2HD LYS 86 -3.232 -9.597 -8.682 644 1HE LYS 86 2HE LYS 86 -3.381 -10.445 -11.163 645 2HE LYS 86 1HE LYS 86 -2.034 -11.502 -10.691 646 1HZ LYS 86 3HZ LYS 86 -3.451 -12.266 -8.870 647 2HZ LYS 86 1HZ LYS 86 -4.677 -11.322 -9.421 648 3HZ LYS 86 2HZ LYS 86 -4.114 -12.568 -10.344 649 H ASP 87 HN ASP 87 1.393 -10.999 -9.935 650 HA ASP 87 HA ASP 87 2.657 -12.498 -11.036 651 1HB ASP 87 2HB ASP 87 1.842 -11.658 -13.180 652 2HB ASP 87 1HB ASP 87 3.057 -10.384 -13.213 653 H GLY 88 HN GLY 88 4.096 -9.399 -11.628 654 1HA GLY 88 1HA GLY 88 5.954 -9.030 -9.663 655 2HA GLY 88 2HA GLY 88 6.808 -10.120 -10.782 656 H VAL 89 HN VAL 89 4.389 -7.586 -11.710 657 HA VAL 89 HA VAL 89 6.409 -5.686 -12.531 658 HB VAL 89 HB VAL 89 6.578 -7.331 -14.363 659 1HG1 VAL 89 3HG13 VAL 89 4.339 -8.379 -14.216 660 2HG1 VAL 89 1HG11 VAL 89 3.596 -6.889 -14.837 661 3HG1 VAL 89 2HG12 VAL 89 4.703 -7.826 -15.854 662 1HG2 VAL 89 3HG23 VAL 89 6.788 -4.902 -14.867 663 2HG2 VAL 89 1HG21 VAL 89 6.229 -5.873 -16.239 664 3HG2 VAL 89 2HG22 VAL 89 5.073 -4.875 -15.343 665 H LYS 90 HN LYS 90 5.340 -3.674 -13.120 666 HA LYS 90 HA LYS 90 2.953 -3.134 -11.696 667 1HB LYS 90 1HB LYS 90 4.750 -1.468 -12.373 668 2HB LYS 90 2HB LYS 90 4.123 -1.562 -14.015 669 1HG LYS 90 1HG LYS 90 1.788 -0.994 -12.803 670 2HG LYS 90 2HG LYS 90 2.829 -0.497 -11.482 671 1HD LYS 90 2HD LYS 90 2.223 1.411 -12.844 672 2HD LYS 90 1HD LYS 90 3.966 1.126 -12.977 673 1HE LYS 90 1HE LYS 90 2.761 1.731 -15.119 674 2HE LYS 90 2HE LYS 90 3.748 0.273 -15.217 675 1HZ LYS 90 3HZ LYS 90 0.843 0.283 -14.772 676 2HZ LYS 90 1HZ LYS 90 1.581 0.023 -16.224 677 3HZ LYS 90 2HZ LYS 90 1.803 -1.045 -14.992 678 H ALA 91 HN ALA 91 1.258 -4.510 -12.289 679 HA ALA 91 HA ALA 91 0.504 -4.920 -15.076 680 1HB ALA 91 1HB ALA 91 0.261 -6.670 -13.356 681 2HB ALA 91 2HB ALA 91 -0.911 -5.653 -12.477 682 3HB ALA 91 3HB ALA 91 -1.301 -6.263 -14.098 683 H ASP 92 HN ASP 92 -0.372 -2.687 -12.483 684 HA ASP 92 HA ASP 92 -2.035 -1.219 -14.388 685 1HB ASP 92 1HB ASP 92 -3.372 -3.063 -12.978 686 2HB ASP 92 2HB ASP 92 -3.365 -1.806 -11.737 687 H ASP 93 HN ASP 93 -2.892 0.800 -13.332 688 HA ASP 93 HA ASP 93 -1.117 2.011 -11.321 689 1HB ASP 93 1HB ASP 93 -0.237 2.269 -13.764 690 2HB ASP 93 2HB ASP 93 -1.542 3.423 -13.986 691 H LEU 94 HN LEU 94 -1.985 4.398 -11.316 692 HA LEU 94 HA LEU 94 -4.477 5.376 -11.924 693 1HB LEU 94 1HB LEU 94 -5.660 3.578 -10.868 694 2HB LEU 94 2HB LEU 94 -4.558 3.570 -9.490 695 HG LEU 94 HG LEU 94 -5.577 5.836 -8.824 696 1HD1 LEU 94 3HD13 LEU 94 -7.532 5.052 -11.035 697 2HD1 LEU 94 1HD11 LEU 94 -7.737 6.414 -9.912 698 3HD1 LEU 94 2HD12 LEU 94 -6.448 6.442 -11.114 699 1HD2 LEU 94 1HD21 LEU 94 -6.270 3.733 -7.772 700 2HD2 LEU 94 3HD23 LEU 94 -7.620 4.857 -7.934 701 3HD2 LEU 94 2HD22 LEU 94 -7.479 3.482 -9.048 702 H VAL 95 HN VAL 95 -4.780 7.449 -10.796 703 HA VAL 95 HA VAL 95 -2.759 8.158 -8.770 704 HB VAL 95 HB VAL 95 -2.498 10.349 -9.964 705 1HG1 VAL 95 1HG11 VAL 95 -1.538 7.857 -11.429 706 2HG1 VAL 95 3HG13 VAL 95 -0.897 9.490 -11.662 707 3HG1 VAL 95 2HG12 VAL 95 -0.745 8.708 -10.081 708 1HG2 VAL 95 1HG21 VAL 95 -4.500 10.244 -11.447 709 2HG2 VAL 95 2HG22 VAL 95 -3.003 10.524 -12.343 710 3HG2 VAL 95 3HG23 VAL 95 -3.744 8.917 -12.358 711 H GLY 96 HN GLY 96 -3.456 9.724 -7.339 712 1HA GLY 96 1HA GLY 96 -4.882 11.375 -6.474 713 2HA GLY 96 2HA GLY 96 -6.058 11.066 -7.766 714 H ALA 97 HN ALA 97 -7.131 11.452 -5.448 715 HA ALA 97 HA ALA 97 -7.323 9.200 -3.659 716 1HB ALA 97 1HB ALA 97 -7.527 11.679 -3.093 717 2HB ALA 97 2HB ALA 97 -9.104 11.666 -3.888 718 3HB ALA 97 3HB ALA 97 -8.832 10.665 -2.445 719 H SER 98 HN SER 98 -8.126 8.364 -6.351 720 HA SER 98 HA SER 98 -11.054 8.257 -6.410 721 1HB SER 98 1HB SER 98 -9.006 6.728 -8.042 722 2HB SER 98 2HB SER 98 -10.718 6.984 -8.434 723 HG SER 98 HG SER 98 -10.209 9.269 -8.466 724 H GLN 99 HN GLN 99 -10.910 7.407 -4.109 725 HA GLN 99 HA GLN 99 -10.089 4.897 -3.255 726 1HB GLN 99 2HB GLN 99 -12.577 6.505 -2.586 727 2HB GLN 99 1HB GLN 99 -12.046 5.105 -1.643 728 1HG GLN 99 1HG GLN 99 -10.284 6.201 -0.691 729 2HG GLN 99 2HG GLN 99 -9.914 7.161 -2.118 730 1HE2 GLN 99 2HE22 GLN 99 -11.962 9.915 -1.210 731 2HE2 GLN 99 1HE21 GLN 99 -11.077 9.163 -2.531 732 H ASP 100 HN ASP 100 -13.049 5.679 -5.080 733 HA ASP 100 HA ASP 100 -14.324 3.126 -4.969 734 1HB ASP 100 1HB ASP 100 -15.569 3.947 -6.905 735 2HB ASP 100 2HB ASP 100 -15.448 5.218 -5.684 736 H LYS 101 HN LYS 101 -12.038 4.612 -7.283 737 HA LYS 101 HA LYS 101 -11.937 2.282 -8.979 738 1HB LYS 101 1HB LYS 101 -11.537 4.724 -9.573 739 2HB LYS 101 2HB LYS 101 -9.917 4.554 -8.891 740 1HG LYS 101 2HG LYS 101 -9.283 2.954 -10.535 741 2HG LYS 101 1HG LYS 101 -10.946 2.608 -11.007 742 1HD LYS 101 1HD LYS 101 -9.760 5.379 -11.402 743 2HD LYS 101 2HD LYS 101 -9.539 4.081 -12.592 744 1HE LYS 101 1HE LYS 101 -11.993 3.845 -12.823 745 2HE LYS 101 2HE LYS 101 -12.247 5.138 -11.639 746 1HZ LYS 101 3HZ LYS 101 -10.868 5.429 -14.208 747 2HZ LYS 101 2HZ LYS 101 -12.394 5.942 -13.854 748 3HZ LYS 101 1HZ LYS 101 -11.100 6.627 -13.099 749 H LEU 102 HN LEU 102 -10.111 3.448 -6.178 750 HA LEU 102 HA LEU 102 -7.927 1.656 -6.238 751 1HB LEU 102 2HB LEU 102 -8.581 3.646 -4.585 752 2HB LEU 102 1HB LEU 102 -9.324 2.353 -3.641 753 HG LEU 102 HG LEU 102 -6.432 2.785 -4.400 754 1HD1 LEU 102 1HD11 LEU 102 -7.407 4.108 -2.539 755 2HD1 LEU 102 2HD12 LEU 102 -7.944 2.611 -1.744 756 3HD1 LEU 102 3HD13 LEU 102 -6.220 2.959 -1.926 757 1HD2 LEU 102 2HD22 LEU 102 -7.625 0.354 -2.996 758 2HD2 LEU 102 1HD21 LEU 102 -6.769 0.369 -4.560 759 3HD2 LEU 102 3HD23 LEU 102 -5.895 0.757 -3.087 760 H LYS 103 HN LYS 103 -11.165 1.351 -4.653 761 HA LYS 103 HA LYS 103 -10.916 -1.343 -3.812 762 1HB LYS 103 2HB LYS 103 -13.337 0.347 -4.584 763 2HB LYS 103 1HB LYS 103 -13.437 -1.266 -3.873 764 1HG LYS 103 2HG LYS 103 -12.221 -0.538 -1.890 765 2HG LYS 103 1HG LYS 103 -11.993 1.081 -2.565 766 1HD LYS 103 2HD LYS 103 -14.445 1.422 -2.603 767 2HD LYS 103 1HD LYS 103 -14.687 -0.207 -1.936 768 1HE LYS 103 1HE LYS 103 -13.389 0.441 0.097 769 2HE LYS 103 2HE LYS 103 -13.165 2.070 -0.571 770 1HZ LYS 103 1HZ LYS 103 -15.538 2.338 -0.527 771 2HZ LYS 103 2HZ LYS 103 -15.740 0.823 0.091 772 3HZ LYS 103 3HZ LYS 103 -14.966 1.977 0.976 773 H ALA 104 HN ALA 104 -12.258 0.026 -6.863 774 HA ALA 104 HA ALA 104 -12.944 -2.396 -8.091 775 1HB ALA 104 1HB ALA 104 -13.464 -0.110 -8.972 776 2HB ALA 104 3HB ALA 104 -11.772 0.037 -9.505 777 3HB ALA 104 2HB ALA 104 -12.810 -1.215 -10.199 778 H LEU 105 HN LEU 105 -9.737 -0.714 -8.212 779 HA LEU 105 HA LEU 105 -8.392 -2.560 -9.870 780 1HB LEU 105 1HB LEU 105 -7.425 -0.828 -7.559 781 2HB LEU 105 2HB LEU 105 -6.330 -1.846 -8.475 782 HG LEU 105 HG LEU 105 -8.008 0.326 -9.783 783 1HD1 LEU 105 2HD22 LEU 105 -5.136 0.368 -8.728 784 2HD1 LEU 105 1HD21 LEU 105 -5.896 1.630 -9.710 785 3HD1 LEU 105 3HD23 LEU 105 -6.501 1.298 -8.076 786 1HD2 LEU 105 1HD11 LEU 105 -5.509 -1.193 -10.654 787 2HD2 LEU 105 2HD12 LEU 105 -7.134 -1.393 -11.349 788 3HD2 LEU 105 3HD13 LEU 105 -6.267 0.141 -11.540 789 H VAL 106 HN VAL 106 -8.547 -2.457 -6.261 790 HA VAL 106 HA VAL 106 -7.022 -4.811 -5.868 791 HB VAL 106 HB VAL 106 -9.240 -3.597 -4.152 792 1HG1 VAL 106 1HG21 VAL 106 -7.199 -5.777 -3.554 793 2HG1 VAL 106 2HG22 VAL 106 -8.157 -4.944 -2.307 794 3HG1 VAL 106 3HG23 VAL 106 -8.960 -5.952 -3.515 795 1HG2 VAL 106 1HG11 VAL 106 -6.190 -3.485 -4.024 796 2HG2 VAL 106 3HG13 VAL 106 -7.247 -2.148 -4.512 797 3HG2 VAL 106 2HG12 VAL 106 -7.299 -2.753 -2.849 798 H ALA 107 HN ALA 107 -10.557 -4.462 -5.996 799 HA ALA 107 HA ALA 107 -11.243 -7.188 -5.740 800 1HB ALA 107 2HB ALA 107 -12.886 -5.354 -5.685 801 2HB ALA 107 3HB ALA 107 -12.637 -5.044 -7.414 802 3HB ALA 107 1HB ALA 107 -13.352 -6.580 -6.881 803 H LYS 108 HN LYS 108 -10.778 -5.350 -8.781 804 HA LYS 108 HA LYS 108 -11.160 -7.380 -10.656 805 1HB LYS 108 2HB LYS 108 -11.026 -5.002 -11.166 806 2HB LYS 108 1HB LYS 108 -9.325 -4.941 -10.680 807 1HG LYS 108 2HG LYS 108 -8.814 -6.576 -12.572 808 2HG LYS 108 1HG LYS 108 -10.488 -6.362 -13.103 809 1HD LYS 108 2HD LYS 108 -8.330 -4.209 -12.823 810 2HD LYS 108 1HD LYS 108 -8.904 -4.925 -14.334 811 1HE LYS 108 2HE LYS 108 -11.190 -3.979 -13.869 812 2HE LYS 108 1HE LYS 108 -10.534 -3.177 -12.427 813 1HZ LYS 108 1HZ LYS 108 -9.011 -2.007 -13.832 814 2HZ LYS 108 2HZ LYS 108 -9.629 -2.732 -15.177 815 3HZ LYS 108 3HZ LYS 108 -10.570 -1.717 -14.284 816 H HIS 109 HN HIS 109 -8.007 -6.233 -9.324 817 HA HIS 109 HA HIS 109 -6.566 -8.330 -10.725 818 1HB HIS 109 1HB HIS 109 -5.760 -6.249 -8.665 819 2HB HIS 109 2HB HIS 109 -4.645 -7.433 -9.363 820 HD2 HIS 109 HD2 HIS 109 -6.679 -4.288 -10.589 821 HE1 HIS 109 HE1 HIS 109 -4.032 -5.509 -13.641 822 HE2 HIS 109 HE2 HIS 109 -5.660 -3.681 -12.921 823 H ALA 110 HN ALA 110 -8.029 -8.127 -7.484 824 HA ALA 110 HA ALA 110 -6.600 -10.389 -6.403 825 1HB ALA 110 3HB ALA 110 -9.387 -9.314 -5.765 826 2HB ALA 110 1HB ALA 110 -8.502 -10.537 -4.834 827 3HB ALA 110 2HB ALA 110 -7.875 -8.884 -4.939 828 H ALA 111 HN ALA 111 -9.853 -10.062 -7.873 829 HA ALA 111 HA ALA 111 -11.159 -11.421 -9.075 830 1HB ALA 111 2HB ALA 111 -9.136 -11.731 -10.514 831 2HB ALA 111 3HB ALA 111 -8.740 -13.207 -9.606 832 3HB ALA 111 1HB ALA 111 -10.249 -13.113 -10.519 833 H ALA 112 HN ALA 112 -8.950 -13.576 -7.224 834 HA ALA 112 HA ALA 112 -11.061 -14.581 -5.552 835 1HB ALA 112 1HB ALA 112 -9.777 -16.438 -7.614 836 2HB ALA 112 2HB ALA 112 -10.794 -16.950 -6.250 837 3HB ALA 112 3HB ALA 112 -11.496 -15.979 -7.562 No H/Q in entry = 837 Start of MODEL 12 1 1H GLY 1 2HN GLY 1 -6.742 -9.198 8.579 2 2H GLY 1 3HN GLY 1 -7.291 -7.647 8.919 3 3H GLY 1 1HN GLY 1 -6.838 -8.060 7.395 4 1HA GLY 1 1HA GLY 1 -5.024 -6.851 8.312 5 2HA GLY 1 2HA GLY 1 -5.158 -7.787 9.811 6 H GLY 2 HN GLY 2 -2.704 -7.557 8.225 7 1HA GLY 2 1HA GLY 2 -1.524 -9.953 8.292 8 2HA GLY 2 2HA GLY 2 -2.364 -10.046 6.726 9 H SER 3 HN SER 3 -0.744 -9.630 5.179 10 HA SER 3 HA SER 3 1.390 -7.775 5.556 11 1HB SER 3 1HB SER 3 0.255 -8.875 2.947 12 2HB SER 3 2HB SER 3 1.918 -8.357 3.283 13 HG SER 3 HG SER 3 1.994 -10.109 4.821 14 H VAL 4 HN VAL 4 -0.170 -6.000 6.361 15 HA VAL 4 HA VAL 4 -0.981 -4.223 4.122 16 HB VAL 4 HB VAL 4 -2.843 -3.629 5.565 17 1HG1 VAL 4 3HG13 VAL 4 -3.234 -5.591 4.058 18 2HG1 VAL 4 2HG12 VAL 4 -2.691 -6.684 5.345 19 3HG1 VAL 4 1HG11 VAL 4 -4.141 -5.736 5.581 20 1HG2 VAL 4 1HG21 VAL 4 -1.916 -3.888 7.775 21 2HG2 VAL 4 3HG23 VAL 4 -3.477 -4.689 7.577 22 3HG2 VAL 4 2HG22 VAL 4 -1.989 -5.651 7.590 23 H ILE 5 HN ILE 5 1.565 -4.253 5.554 24 HA ILE 5 HA ILE 5 1.424 -2.182 7.584 25 HB ILE 5 HB ILE 5 3.821 -2.496 7.808 26 1HG1 ILE 5 2HG12 ILE 5 4.753 -4.472 6.288 27 2HG1 ILE 5 1HG11 ILE 5 3.625 -3.825 5.094 28 1HG2 ILE 5 3HG23 ILE 5 2.212 -4.156 8.761 29 2HG2 ILE 5 1HG21 ILE 5 2.482 -5.195 7.344 30 3HG2 ILE 5 2HG22 ILE 5 3.820 -4.817 8.439 31 1HD1 ILE 5 2HD12 ILE 5 5.823 -2.278 6.552 32 2HD1 ILE 5 1HD11 ILE 5 5.931 -2.899 4.899 33 3HD1 ILE 5 3HD13 ILE 5 4.788 -1.607 5.273 34 H VAL 6 HN VAL 6 2.835 -0.337 7.646 35 HA VAL 6 HA VAL 6 3.045 1.154 5.123 36 HB VAL 6 HB VAL 6 1.205 2.136 6.390 37 1HG1 VAL 6 2HG12 VAL 6 1.616 1.206 8.624 38 2HG1 VAL 6 1HG11 VAL 6 3.035 2.259 8.818 39 3HG1 VAL 6 3HG13 VAL 6 1.415 2.959 8.680 40 1HG2 VAL 6 1HG21 VAL 6 2.898 3.701 5.357 41 2HG2 VAL 6 3HG23 VAL 6 1.979 4.388 6.708 42 3HG2 VAL 6 2HG22 VAL 6 3.652 3.859 6.955 43 H ILE 7 HN ILE 7 5.025 2.100 4.735 44 HA ILE 7 HA ILE 7 6.918 2.372 6.899 45 HB ILE 7 HB ILE 7 6.855 -0.126 6.410 46 1HG1 ILE 7 2HG12 ILE 7 9.645 0.634 5.755 47 2HG1 ILE 7 1HG11 ILE 7 8.958 1.418 7.188 48 1HG2 ILE 7 1HG21 ILE 7 6.560 0.127 3.922 49 2HG2 ILE 7 3HG23 ILE 7 8.260 0.625 3.807 50 3HG2 ILE 7 2HG22 ILE 7 7.834 -0.994 4.396 51 1HD1 ILE 7 2HD12 ILE 7 8.816 -1.576 6.817 52 2HD1 ILE 7 3HD13 ILE 7 10.089 -0.722 7.720 53 3HD1 ILE 7 1HD11 ILE 7 8.396 -0.619 8.243 54 H ASP 8 HN ASP 8 9.080 3.024 6.083 55 HA ASP 8 HA ASP 8 8.943 4.669 3.620 56 1HB ASP 8 2HB ASP 8 9.986 6.415 5.036 57 2HB ASP 8 1HB ASP 8 8.473 5.897 5.767 58 H SER 9 HN SER 9 10.124 2.105 3.490 59 HA SER 9 HA SER 9 12.932 2.852 3.006 60 1HB SER 9 2HB SER 9 12.126 0.765 5.070 61 2HB SER 9 1HB SER 9 13.728 0.820 4.316 62 HG SER 9 HG SER 9 12.812 3.230 5.355 63 H LYS 10 HN LYS 10 13.529 2.015 1.141 64 HA LYS 10 HA LYS 10 12.092 0.408 -0.578 65 1HB LYS 10 2HB LYS 10 14.107 1.676 -1.176 66 2HB LYS 10 1HB LYS 10 15.117 0.576 -0.246 67 1HG LYS 10 2HG LYS 10 14.632 -1.286 -1.680 68 2HG LYS 10 1HG LYS 10 13.350 -0.397 -2.524 69 1HD LYS 10 1HD LYS 10 14.937 1.011 -3.636 70 2HD LYS 10 2HD LYS 10 16.256 0.512 -2.561 71 1HE LYS 10 2HE LYS 10 16.320 -0.559 -4.852 72 2HE LYS 10 1HE LYS 10 16.348 -1.694 -3.493 73 1HZ LYS 10 1HZ LYS 10 13.926 -1.012 -4.997 74 2HZ LYS 10 2HZ LYS 10 14.856 -2.352 -5.250 75 3HZ LYS 10 3HZ LYS 10 14.085 -2.158 -3.813 76 H ALA 11 HN ALA 11 14.645 -0.547 1.630 77 HA ALA 11 HA ALA 11 14.856 -3.290 1.198 78 1HB ALA 11 3HB ALA 11 16.269 -2.061 2.806 79 2HB ALA 11 2HB ALA 11 14.891 -1.890 3.917 80 3HB ALA 11 1HB ALA 11 15.558 -3.498 3.566 81 H ALA 12 HN ALA 12 12.433 -1.658 3.272 82 HA ALA 12 HA ALA 12 11.140 -4.121 4.095 83 1HB ALA 12 3HB ALA 12 11.045 -2.102 5.482 84 2HB ALA 12 2HB ALA 12 10.180 -1.236 4.190 85 3HB ALA 12 1HB ALA 12 9.429 -2.644 4.977 86 H TRP 13 HN TRP 13 10.598 -1.637 1.558 87 HA TRP 13 HA TRP 13 8.128 -2.593 0.539 88 1HB TRP 13 2HB TRP 13 8.549 -0.739 -0.620 89 2HB TRP 13 1HB TRP 13 10.265 -0.805 -0.334 90 HD1 TRP 13 HD1 TRP 13 11.727 -2.312 -2.152 91 HE1 TRP 13 HE1 TRP 13 11.449 -2.600 -4.655 92 HE3 TRP 13 HE3 TRP 13 6.931 -0.597 -2.618 93 HZ2 TRP 13 HZ2 TRP 13 9.544 -1.882 -6.650 94 HZ3 TRP 13 HZ3 TRP 13 6.049 -0.106 -4.876 95 HH2 TRP 13 HH2 TRP 13 7.366 -0.716 -6.899 96 H ASP 14 HN ASP 14 11.467 -3.562 -0.350 97 HA ASP 14 HA ASP 14 10.663 -5.609 -2.182 98 1HB ASP 14 2HB ASP 14 13.249 -5.260 -0.599 99 2HB ASP 14 1HB ASP 14 12.987 -6.488 -1.847 100 H ALA 15 HN ALA 15 11.606 -5.762 1.253 101 HA ALA 15 HA ALA 15 11.389 -8.528 1.637 102 1HB ALA 15 3HB ALA 15 12.221 -6.937 3.353 103 2HB ALA 15 1HB ALA 15 10.561 -6.353 3.611 104 3HB ALA 15 2HB ALA 15 10.982 -8.029 4.001 105 H GLN 16 HN GLN 16 8.826 -6.090 1.969 106 HA GLN 16 HA GLN 16 6.644 -7.844 2.554 107 1HB GLN 16 2HB GLN 16 6.973 -5.017 1.685 108 2HB GLN 16 1HB GLN 16 5.476 -5.787 1.176 109 1HG GLN 16 2HG GLN 16 5.245 -4.622 3.332 110 2HG GLN 16 1HG GLN 16 4.784 -6.323 3.351 111 1HE2 GLN 16 1HE21 GLN 16 8.350 -5.504 5.271 112 2HE2 GLN 16 2HE22 GLN 16 8.093 -4.832 3.667 113 H LEU 17 HN LEU 17 7.768 -6.459 -0.576 114 HA LEU 17 HA LEU 17 5.933 -7.635 -2.285 115 1HB LEU 17 2HB LEU 17 8.048 -6.048 -2.634 116 2HB LEU 17 1HB LEU 17 8.863 -7.540 -3.078 117 HG LEU 17 HG LEU 17 6.286 -6.488 -4.348 118 1HD1 LEU 17 1HD21 LEU 17 8.143 -4.907 -4.689 119 2HD1 LEU 17 2HD22 LEU 17 9.173 -6.225 -5.287 120 3HD1 LEU 17 3HD23 LEU 17 7.732 -5.732 -6.201 121 1HD2 LEU 17 3HD13 LEU 17 8.264 -8.642 -5.224 122 2HD2 LEU 17 2HD12 LEU 17 6.574 -8.898 -4.730 123 3HD2 LEU 17 1HD11 LEU 17 6.931 -8.024 -6.220 124 H ALA 18 HN ALA 18 9.017 -9.054 -1.137 125 HA ALA 18 HA ALA 18 8.676 -11.570 -2.452 126 1HB ALA 18 1HB ALA 18 10.835 -10.700 -1.706 127 2HB ALA 18 2HB ALA 18 10.329 -10.807 -0.008 128 3HB ALA 18 3HB ALA 18 10.513 -12.287 -0.977 129 H LYS 19 HN LYS 19 8.280 -10.832 1.108 130 HA LYS 19 HA LYS 19 7.350 -13.480 1.662 131 1HB LYS 19 1HB LYS 19 6.949 -12.678 3.876 132 2HB LYS 19 2HB LYS 19 8.439 -11.923 3.283 133 1HG LYS 19 2HG LYS 19 6.931 -9.955 2.589 134 2HG LYS 19 1HG LYS 19 5.671 -10.679 3.551 135 1HD LYS 19 2HD LYS 19 8.427 -9.811 4.560 136 2HD LYS 19 1HD LYS 19 6.909 -8.932 4.795 137 1HE LYS 19 1HE LYS 19 5.987 -10.899 6.053 138 2HE LYS 19 2HE LYS 19 7.575 -11.683 5.933 139 1HZ LYS 19 3HZ LYS 19 7.035 -9.100 7.217 140 2HZ LYS 19 2HZ LYS 19 7.301 -10.530 7.992 141 3HZ LYS 19 1HZ LYS 19 8.507 -9.834 7.113 142 H GLY 20 HN GLY 20 5.692 -10.788 0.223 143 1HA GLY 20 1HA GLY 20 3.036 -11.266 1.058 144 2HA GLY 20 2HA GLY 20 3.590 -10.520 -0.455 145 H LYS 21 HN LYS 21 5.198 -13.140 -0.946 146 HA LYS 21 HA LYS 21 4.998 -15.186 -1.850 147 1HB LYS 21 1HB LYS 21 2.027 -15.254 -1.157 148 2HB LYS 21 2HB LYS 21 3.071 -16.586 -1.648 149 1HG LYS 21 1HG LYS 21 4.483 -16.274 0.357 150 2HG LYS 21 2HG LYS 21 3.459 -14.915 0.847 151 1HD LYS 21 2HD LYS 21 1.504 -16.402 1.042 152 2HD LYS 21 1HD LYS 21 2.502 -17.784 0.553 153 1HE LYS 21 2HE LYS 21 2.265 -17.708 3.006 154 2HE LYS 21 1HE LYS 21 3.955 -17.461 2.537 155 1HZ LYS 21 2HZ LYS 21 2.063 -15.328 3.253 156 2HZ LYS 21 3HZ LYS 21 3.237 -15.937 4.234 157 3HZ LYS 21 1HZ LYS 21 3.651 -15.115 2.870 158 H GLU 22 HN GLU 22 5.578 -14.090 -3.631 159 HA GLU 22 HA GLU 22 3.862 -12.942 -5.599 160 1HB GLU 22 2HB GLU 22 6.716 -14.026 -5.809 161 2HB GLU 22 1HB GLU 22 5.896 -12.982 -6.974 162 1HG GLU 22 2HG GLU 22 5.683 -11.213 -5.226 163 2HG GLU 22 1HG GLU 22 6.592 -12.228 -4.095 164 H GLU 23 HN GLU 23 2.447 -14.935 -5.280 165 HA GLU 23 HA GLU 23 3.082 -17.151 -7.168 166 1HB GLU 23 1HB GLU 23 0.473 -16.831 -5.633 167 2HB GLU 23 2HB GLU 23 1.202 -18.274 -6.329 168 1HG GLU 23 2HG GLU 23 2.021 -16.747 -3.839 169 2HG GLU 23 1HG GLU 23 1.471 -18.412 -3.961 170 H HIS 24 HN HIS 24 0.270 -15.003 -6.652 171 HA HIS 24 HA HIS 24 0.235 -14.041 -9.383 172 1HB HIS 24 2HB HIS 24 -1.891 -15.164 -10.009 173 2HB HIS 24 1HB HIS 24 -0.749 -16.424 -9.553 174 HD2 HIS 24 HD2 HIS 24 -4.101 -14.835 -8.348 175 HE1 HIS 24 HE1 HIS 24 -3.003 -17.730 -5.471 176 HE2 HIS 24 HE2 HIS 24 -4.861 -16.131 -6.213 177 H LYS 25 HN LYS 25 -0.114 -13.250 -6.428 178 HA LYS 25 HA LYS 25 -2.908 -12.327 -6.365 179 1HB LYS 25 1HB LYS 25 -0.702 -12.200 -4.291 180 2HB LYS 25 2HB LYS 25 -2.333 -11.581 -4.043 181 1HG LYS 25 1HG LYS 25 -3.341 -13.741 -4.441 182 2HG LYS 25 2HG LYS 25 -1.768 -14.483 -4.800 183 1HD LYS 25 2HD LYS 25 -0.977 -14.081 -2.537 184 2HD LYS 25 1HD LYS 25 -2.414 -13.111 -2.150 185 1HE LYS 25 2HE LYS 25 -3.878 -15.045 -2.446 186 2HE LYS 25 1HE LYS 25 -2.503 -16.041 -2.950 187 1HZ LYS 25 3HZ LYS 25 -2.818 -14.737 -0.327 188 2HZ LYS 25 1HZ LYS 25 -3.095 -16.340 -0.623 189 3HZ LYS 25 2HZ LYS 25 -1.571 -15.722 -0.762 190 HA PRO 26 HA PRO 26 -1.960 -8.017 -7.303 191 1HB PRO 26 2HB PRO 26 -3.882 -6.725 -5.862 192 2HB PRO 26 1HB PRO 26 -4.219 -7.636 -7.355 193 1HG PRO 26 1HG PRO 26 -4.371 -8.706 -4.533 194 2HG PRO 26 2HG PRO 26 -5.709 -8.676 -5.727 195 1HD PRO 26 1HD PRO 26 -4.175 -10.839 -5.324 196 2HD PRO 26 2HD PRO 26 -4.438 -10.353 -7.024 197 H ILE 27 HN ILE 27 -0.079 -7.227 -6.522 198 HA ILE 27 HA ILE 27 0.201 -6.748 -3.602 199 HB ILE 27 HB ILE 27 2.280 -6.448 -5.793 200 1HG1 ILE 27 1HG11 ILE 27 1.715 -8.767 -3.888 201 2HG1 ILE 27 2HG12 ILE 27 1.655 -8.797 -5.652 202 1HG2 ILE 27 1HG21 ILE 27 2.562 -5.063 -3.707 203 2HG2 ILE 27 2HG22 ILE 27 2.561 -6.565 -2.764 204 3HG2 ILE 27 3HG23 ILE 27 3.846 -6.239 -3.947 205 1HD1 ILE 27 1HD11 ILE 27 4.108 -8.317 -5.716 206 2HD1 ILE 27 2HD12 ILE 27 4.144 -8.486 -3.940 207 3HD1 ILE 27 3HD13 ILE 27 3.672 -9.857 -4.944 208 H VAL 28 HN VAL 28 -1.172 -5.059 -3.308 209 HA VAL 28 HA VAL 28 -1.261 -2.832 -5.249 210 HB VAL 28 HB VAL 28 -2.880 -3.225 -2.708 211 1HG1 VAL 28 1HG11 VAL 28 -3.291 -1.530 -5.225 212 2HG1 VAL 28 2HG12 VAL 28 -4.426 -1.653 -3.871 213 3HG1 VAL 28 3HG13 VAL 28 -2.835 -0.904 -3.633 214 1HG2 VAL 28 3HG23 VAL 28 -3.256 -5.139 -4.233 215 2HG2 VAL 28 2HG22 VAL 28 -4.665 -4.087 -4.148 216 3HG2 VAL 28 1HG21 VAL 28 -3.596 -4.011 -5.563 217 H VAL 29 HN VAL 29 0.324 -1.348 -4.991 218 HA VAL 29 HA VAL 29 1.137 -0.641 -2.200 219 HB VAL 29 HB VAL 29 2.963 -1.634 -3.316 220 1HG1 VAL 29 1HG11 VAL 29 2.323 -1.117 -5.683 221 2HG1 VAL 29 2HG12 VAL 29 3.024 0.501 -5.396 222 3HG1 VAL 29 3HG13 VAL 29 4.024 -0.954 -5.232 223 1HG2 VAL 29 3HG23 VAL 29 3.128 0.515 -1.824 224 2HG2 VAL 29 1HG21 VAL 29 4.544 0.096 -2.809 225 3HG2 VAL 29 2HG22 VAL 29 3.430 1.386 -3.316 226 H ASP 30 HN ASP 30 0.669 1.260 -1.492 227 HA ASP 30 HA ASP 30 -0.361 3.398 -3.287 228 1HB ASP 30 2HB ASP 30 -1.762 2.811 -1.430 229 2HB ASP 30 1HB ASP 30 -0.448 3.045 -0.270 230 H PHE 31 HN PHE 31 1.347 4.488 -4.071 231 HA PHE 31 HA PHE 31 3.714 5.148 -2.397 232 1HB PHE 31 1HB PHE 31 2.902 5.656 -5.278 233 2HB PHE 31 2HB PHE 31 4.297 6.391 -4.550 234 HD1 PHE 31 HD2 PHE 31 6.255 5.009 -3.798 235 HD2 PHE 31 HD1 PHE 31 2.951 3.321 -5.996 236 HE1 PHE 31 HE2 PHE 31 7.800 3.435 -4.902 237 HE2 PHE 31 HE1 PHE 31 4.512 1.728 -7.087 238 HZ PHE 31 HZ PHE 31 6.946 1.898 -6.691 239 H THR 32 HN THR 32 2.937 6.593 -0.822 240 HA THR 32 HA THR 32 1.452 9.018 -1.803 241 HB THR 32 HB THR 32 0.005 7.572 -0.440 242 HG1 THR 32 HG1 THR 32 -0.493 9.303 1.049 243 1HG2 THR 32 3HG23 THR 32 1.763 6.572 1.056 244 2HG2 THR 32 1HG21 THR 32 1.946 8.154 1.848 245 3HG2 THR 32 2HG22 THR 32 0.403 7.289 1.941 246 H ALA 33 HN ALA 33 2.189 10.983 -1.011 247 HA ALA 33 HA ALA 33 4.933 10.961 0.234 248 1HB ALA 33 2HB ALA 33 3.538 13.037 -1.495 249 2HB ALA 33 1HB ALA 33 5.080 13.286 -0.647 250 3HB ALA 33 3HB ALA 33 4.946 12.056 -1.912 251 H THR 34 HN THR 34 3.251 10.254 1.914 252 HA THR 34 HA THR 34 1.580 10.871 3.557 253 HB THR 34 HB THR 34 3.167 11.224 5.533 254 HG1 THR 34 HG1 THR 34 5.269 10.807 3.711 255 1HG2 THR 34 1HG21 THR 34 3.831 8.991 3.549 256 2HG2 THR 34 2HG22 THR 34 4.256 9.020 5.272 257 3HG2 THR 34 3HG23 THR 34 2.554 8.969 4.778 258 H TRP 35 HN TRP 35 4.101 13.280 4.006 259 HA TRP 35 HA TRP 35 2.759 15.173 5.457 260 1HB TRP 35 2HB TRP 35 4.429 16.780 4.638 261 2HB TRP 35 1HB TRP 35 5.124 15.233 5.096 262 HD1 TRP 35 HD1 TRP 35 6.598 14.031 3.364 263 HE1 TRP 35 HE1 TRP 35 7.492 14.629 1.028 264 HE3 TRP 35 HE3 TRP 35 3.544 18.013 2.280 265 HZ2 TRP 35 HZ2 TRP 35 6.814 16.400 -1.109 266 HZ3 TRP 35 HZ3 TRP 35 3.684 19.112 0.071 267 HH2 TRP 35 HH2 TRP 35 5.303 18.312 -1.635 268 H CYS 36 HN CYS 36 2.262 14.790 1.920 269 HA CYS 36 HA CYS 36 1.079 17.454 1.675 270 1HB CYS 36 2HB CYS 36 0.227 16.608 -0.541 271 2HB CYS 36 1HB CYS 36 1.950 16.750 -0.273 272 H GLY 37 HN GLY 37 -0.176 17.069 3.695 273 1HA GLY 37 1HA GLY 37 -2.115 16.678 4.864 274 2HA GLY 37 2HA GLY 37 -2.754 17.606 3.508 275 HA PRO 38 HA PRO 38 -5.684 14.333 2.566 276 1HB PRO 38 1HB PRO 38 -4.530 14.719 -0.209 277 2HB PRO 38 2HB PRO 38 -6.230 14.399 0.253 278 1HG PRO 38 2HG PRO 38 -5.450 16.945 -0.209 279 2HG PRO 38 1HG PRO 38 -6.427 16.584 1.246 280 1HD PRO 38 2HD PRO 38 -3.460 17.071 1.062 281 2HD PRO 38 1HD PRO 38 -4.630 17.589 2.309 282 H CYS 39 HN CYS 39 -2.497 14.143 1.035 283 HA CYS 39 HA CYS 39 -2.227 11.479 0.354 284 1HB CYS 39 2HB CYS 39 -0.200 13.402 1.551 285 2HB CYS 39 1HB CYS 39 0.233 11.887 0.792 286 H LYS 40 HN LYS 40 -1.944 12.931 3.603 287 HA LYS 40 HA LYS 40 -0.868 10.521 4.792 288 1HB LYS 40 1HB LYS 40 -0.876 13.170 5.526 289 2HB LYS 40 2HB LYS 40 -2.177 12.580 6.545 290 1HG LYS 40 1HG LYS 40 0.660 11.495 6.373 291 2HG LYS 40 2HG LYS 40 -0.002 12.506 7.664 292 1HD LYS 40 1HD LYS 40 -1.670 10.705 8.198 293 2HD LYS 40 2HD LYS 40 -0.896 9.648 7.007 294 1HE LYS 40 1HE LYS 40 0.449 10.832 9.479 295 2HE LYS 40 2HE LYS 40 -0.113 9.163 9.289 296 1HZ LYS 40 2HZ LYS 40 1.443 8.908 7.489 297 2HZ LYS 40 3HZ LYS 40 1.995 10.447 7.703 298 3HZ LYS 40 1HZ LYS 40 2.207 9.325 8.887 299 H MET 41 HN MET 41 -3.952 12.259 5.157 300 HA MET 41 HA MET 41 -5.257 10.239 6.677 301 1HB MET 41 2HB MET 41 -7.353 11.455 6.146 302 2HB MET 41 1HB MET 41 -6.051 12.492 6.742 303 1HG MET 41 2HG MET 41 -5.578 13.274 4.491 304 2HG MET 41 1HG MET 41 -6.774 12.163 3.804 305 1HE MET 41 3HE MET 41 -6.068 15.397 5.774 306 2HE MET 41 1HE MET 41 -7.693 16.022 6.140 307 3HE MET 41 2HE MET 41 -7.082 14.596 7.003 308 H ILE 42 HN ILE 42 -4.900 10.464 3.173 309 HA ILE 42 HA ILE 42 -6.931 8.529 2.544 310 HB ILE 42 HB ILE 42 -4.396 9.450 1.151 311 1HG1 ILE 42 1HG11 ILE 42 -7.327 9.787 0.352 312 2HG1 ILE 42 2HG12 ILE 42 -6.568 10.893 1.487 313 1HG2 ILE 42 2HG22 ILE 42 -6.487 7.463 0.147 314 2HG2 ILE 42 1HG21 ILE 42 -5.304 8.272 -0.895 315 3HG2 ILE 42 3HG23 ILE 42 -4.746 7.167 0.357 316 1HD1 ILE 42 1HD11 ILE 42 -4.798 11.405 -0.230 317 2HD1 ILE 42 3HD13 ILE 42 -5.737 10.454 -1.393 318 3HD1 ILE 42 2HD12 ILE 42 -6.443 11.903 -0.662 319 H ALA 43 HN ALA 43 -3.654 8.154 3.922 320 HA ALA 43 HA ALA 43 -3.283 5.437 3.184 321 1HB ALA 43 3HB ALA 43 -2.153 6.986 5.552 322 2HB ALA 43 2HB ALA 43 -1.692 5.343 5.081 323 3HB ALA 43 1HB ALA 43 -1.431 6.700 3.974 324 HA PRO 44 HA PRO 44 -5.588 4.257 7.407 325 1HB PRO 44 2HB PRO 44 -7.400 6.685 7.228 326 2HB PRO 44 1HB PRO 44 -7.073 5.659 8.656 327 1HG PRO 44 1HG PRO 44 -5.770 8.022 8.238 328 2HG PRO 44 2HG PRO 44 -4.907 6.603 8.911 329 1HD PRO 44 1HD PRO 44 -4.677 7.792 6.204 330 2HD PRO 44 2HD PRO 44 -3.548 6.775 7.129 331 H LEU 45 HN LEU 45 -7.222 6.038 4.770 332 HA LEU 45 HA LEU 45 -9.598 4.387 4.748 333 1HB LEU 45 2HB LEU 45 -8.364 5.944 2.422 334 2HB LEU 45 1HB LEU 45 -9.998 5.306 2.541 335 HG LEU 45 HG LEU 45 -8.754 7.523 4.224 336 1HD1 LEU 45 2HD12 LEU 45 -9.379 8.134 1.899 337 2HD1 LEU 45 3HD13 LEU 45 -11.041 7.595 2.218 338 3HD1 LEU 45 1HD11 LEU 45 -10.366 8.975 3.108 339 1HD2 LEU 45 1HD21 LEU 45 -11.536 6.266 4.393 340 2HD2 LEU 45 3HD23 LEU 45 -10.310 6.316 5.680 341 3HD2 LEU 45 2HD22 LEU 45 -11.091 7.808 5.154 342 H PHE 46 HN PHE 46 -6.665 4.452 2.720 343 HA PHE 46 HA PHE 46 -7.228 2.052 1.282 344 1HB PHE 46 1HB PHE 46 -5.618 3.710 0.591 345 2HB PHE 46 2HB PHE 46 -4.661 3.463 2.041 346 HD1 PHE 46 HD2 PHE 46 -6.066 1.049 -0.564 347 HD2 PHE 46 HD1 PHE 46 -2.636 2.554 1.547 348 HE1 PHE 46 HE2 PHE 46 -4.606 -0.505 -1.808 349 HE2 PHE 46 HE1 PHE 46 -1.208 0.835 0.434 350 HZ PHE 46 HZ PHE 46 -2.128 -0.602 -1.289 351 H GLU 47 HN GLU 47 -5.654 2.603 4.435 352 HA GLU 47 HA GLU 47 -4.683 -0.005 4.898 353 1HB GLU 47 2HB GLU 47 -4.081 2.042 6.191 354 2HB GLU 47 1HB GLU 47 -5.676 1.986 6.966 355 1HG GLU 47 2HG GLU 47 -5.193 -0.145 8.001 356 2HG GLU 47 1HG GLU 47 -3.677 -0.303 7.106 357 H THR 48 HN THR 48 -7.919 1.449 5.299 358 HA THR 48 HA THR 48 -9.082 -0.695 6.797 359 HB THR 48 HB THR 48 -10.488 1.111 4.777 360 HG1 THR 48 HG1 THR 48 -9.183 2.279 6.382 361 1HG2 THR 48 3HG23 THR 48 -11.455 -0.239 7.323 362 2HG2 THR 48 1HG21 THR 48 -12.396 0.849 6.284 363 3HG2 THR 48 2HG22 THR 48 -11.873 -0.730 5.662 364 H LEU 49 HN LEU 49 -8.994 -0.030 3.242 365 HA LEU 49 HA LEU 49 -10.179 -2.481 2.377 366 1HB LEU 49 2HB LEU 49 -8.100 -0.661 1.076 367 2HB LEU 49 1HB LEU 49 -8.711 -2.126 0.319 368 HG LEU 49 HG LEU 49 -10.998 -1.250 0.318 369 1HD1 LEU 49 1HD21 LEU 49 -9.736 1.319 1.373 370 2HD1 LEU 49 2HD22 LEU 49 -11.371 1.186 0.705 371 3HD1 LEU 49 3HD23 LEU 49 -10.978 0.341 2.200 372 1HD2 LEU 49 2HD12 LEU 49 -8.829 0.510 -0.910 373 2HD2 LEU 49 1HD11 LEU 49 -9.534 -0.956 -1.625 374 3HD2 LEU 49 3HD13 LEU 49 -10.517 0.506 -1.434 375 H SER 50 HN SER 50 -6.834 -1.561 3.096 376 HA SER 50 HA SER 50 -5.480 -3.890 2.387 377 1HB SER 50 2HB SER 50 -4.685 -2.234 4.757 378 2HB SER 50 1HB SER 50 -3.724 -3.272 3.708 379 HG SER 50 HG SER 50 -5.036 -1.053 2.607 380 H ASN 51 HN ASN 51 -6.802 -3.095 5.602 381 HA ASN 51 HA ASN 51 -6.229 -5.536 6.872 382 1HB ASN 51 2HB ASN 51 -7.048 -3.752 8.224 383 2HB ASN 51 1HB ASN 51 -8.481 -3.516 7.218 384 1HD2 ASN 51 2HD22 ASN 51 -10.434 -5.943 8.893 385 2HD2 ASN 51 1HD21 ASN 51 -10.389 -4.763 7.602 386 H ASP 52 HN ASP 52 -9.119 -4.528 5.066 387 HA ASP 52 HA ASP 52 -10.669 -6.810 5.532 388 1HB ASP 52 2HB ASP 52 -10.775 -4.879 3.177 389 2HB ASP 52 1HB ASP 52 -12.059 -5.982 3.681 390 H TYR 53 HN TYR 53 -8.805 -6.161 2.439 391 HA TYR 53 HA TYR 53 -9.411 -9.006 1.693 392 1HB TYR 53 2HB TYR 53 -7.836 -6.966 0.129 393 2HB TYR 53 1HB TYR 53 -8.362 -8.544 -0.392 394 HD1 TYR 53 HD2 TYR 53 -9.621 -5.155 0.497 395 HD2 TYR 53 HD1 TYR 53 -10.226 -8.813 -1.693 396 HE1 TYR 53 HE2 TYR 53 -10.914 -3.930 -1.212 397 HE2 TYR 53 HE1 TYR 53 -11.494 -7.592 -3.396 398 HH TYR 53 HH TYR 53 -12.258 -5.505 -4.100 399 H ALA 54 HN ALA 54 -7.427 -8.245 3.985 400 HA ALA 54 HA ALA 54 -4.784 -8.550 3.071 401 1HB ALA 54 3HB ALA 54 -5.381 -7.871 5.364 402 2HB ALA 54 2HB ALA 54 -6.017 -9.506 5.683 403 3HB ALA 54 1HB ALA 54 -4.281 -9.263 5.369 404 H GLY 55 HN GLY 55 -3.356 -10.333 2.942 405 1HA GLY 55 1HA GLY 55 -2.704 -12.568 2.812 406 2HA GLY 55 2HA GLY 55 -4.341 -13.096 3.247 407 H LYS 56 HN LYS 56 -6.039 -12.198 1.477 408 HA LYS 56 HA LYS 56 -5.499 -13.547 -0.986 409 1HB LYS 56 2HB LYS 56 -7.576 -11.549 -0.017 410 2HB LYS 56 1HB LYS 56 -7.596 -12.081 -1.692 411 1HG LYS 56 1HG LYS 56 -7.408 -14.245 0.400 412 2HG LYS 56 2HG LYS 56 -8.918 -13.340 0.300 413 1HD LYS 56 2HD LYS 56 -9.069 -15.316 -1.044 414 2HD LYS 56 1HD LYS 56 -9.197 -13.880 -2.058 415 1HE LYS 56 1HE LYS 56 -6.611 -15.501 -1.774 416 2HE LYS 56 2HE LYS 56 -7.858 -15.847 -2.972 417 1HZ LYS 56 3HZ LYS 56 -7.612 -13.611 -3.809 418 2HZ LYS 56 1HZ LYS 56 -6.283 -13.387 -2.860 419 3HZ LYS 56 2HZ LYS 56 -6.304 -14.570 -4.011 420 H VAL 57 HN VAL 57 -5.386 -10.120 -0.009 421 HA VAL 57 HA VAL 57 -3.900 -9.428 -2.508 422 HB VAL 57 HB VAL 57 -5.745 -7.790 -0.742 423 1HG1 VAL 57 3HG13 VAL 57 -3.965 -6.377 -1.722 424 2HG1 VAL 57 1HG11 VAL 57 -4.395 -6.949 -3.335 425 3HG1 VAL 57 2HG12 VAL 57 -5.547 -6.000 -2.400 426 1HG2 VAL 57 1HG21 VAL 57 -6.271 -8.890 -3.508 427 2HG2 VAL 57 2HG22 VAL 57 -7.082 -9.345 -2.024 428 3HG2 VAL 57 3HG23 VAL 57 -7.288 -7.710 -2.663 429 H ILE 58 HN ILE 58 -1.984 -8.276 -2.223 430 HA ILE 58 HA ILE 58 -0.956 -8.189 0.607 431 HB ILE 58 HB ILE 58 0.513 -8.192 -2.056 432 1HG1 ILE 58 1HG11 ILE 58 1.530 -10.231 -1.381 433 2HG1 ILE 58 2HG12 ILE 58 0.693 -10.259 0.175 434 1HG2 ILE 58 3HG23 ILE 58 1.573 -8.002 0.792 435 2HG2 ILE 58 2HG22 ILE 58 2.568 -8.217 -0.659 436 3HG2 ILE 58 1HG21 ILE 58 1.656 -6.725 -0.437 437 1HD1 ILE 58 3HD13 ILE 58 -0.724 -10.401 -2.525 438 2HD1 ILE 58 2HD12 ILE 58 -0.136 -11.831 -1.659 439 3HD1 ILE 58 1HD11 ILE 58 -1.387 -10.836 -0.921 440 H PHE 59 HN PHE 59 -0.666 -6.084 1.462 441 HA PHE 59 HA PHE 59 -1.079 -3.839 -0.474 442 1HB PHE 59 1HB PHE 59 -2.141 -4.151 2.306 443 2HB PHE 59 2HB PHE 59 -2.200 -2.667 1.373 444 HD1 PHE 59 HD2 PHE 59 -3.490 -6.168 1.604 445 HD2 PHE 59 HD1 PHE 59 -3.757 -2.391 -0.437 446 HE1 PHE 59 HE2 PHE 59 -5.860 -6.577 1.148 447 HE2 PHE 59 HE1 PHE 59 -6.106 -2.882 -1.067 448 HZ PHE 59 HZ PHE 59 -7.196 -4.924 -0.208 449 H LEU 60 HN LEU 60 0.244 -2.168 -0.347 450 HA LEU 60 HA LEU 60 2.309 -2.058 1.830 451 1HB LEU 60 1HB LEU 60 2.491 -2.423 -1.115 452 2HB LEU 60 2HB LEU 60 3.509 -1.124 -0.499 453 HG LEU 60 HG LEU 60 3.623 -3.763 0.930 454 1HD1 LEU 60 2HD12 LEU 60 4.939 -3.057 -1.725 455 2HD1 LEU 60 1HD11 LEU 60 5.433 -4.412 -0.687 456 3HD1 LEU 60 3HD13 LEU 60 3.808 -4.395 -1.405 457 1HD2 LEU 60 1HD21 LEU 60 4.783 -1.641 1.719 458 2HD2 LEU 60 2HD22 LEU 60 5.911 -2.955 1.325 459 3HD2 LEU 60 3HD23 LEU 60 5.680 -1.617 0.185 460 H LYS 61 HN LYS 61 2.332 -0.132 2.812 461 HA LYS 61 HA LYS 61 1.318 2.304 1.325 462 1HB LYS 61 1HB LYS 61 1.229 1.452 4.194 463 2HB LYS 61 2HB LYS 61 1.260 3.185 3.793 464 1HG LYS 61 1HG LYS 61 -0.723 3.025 2.552 465 2HG LYS 61 2HG LYS 61 -0.678 1.250 2.520 466 1HD LYS 61 2HD LYS 61 -1.057 2.867 5.068 467 2HD LYS 61 1HD LYS 61 -2.400 2.260 4.093 468 1HE LYS 61 2HE LYS 61 -0.292 0.510 5.459 469 2HE LYS 61 1HE LYS 61 -1.943 0.773 5.986 470 1HZ LYS 61 2HZ LYS 61 -2.693 -0.263 3.939 471 2HZ LYS 61 1HZ LYS 61 -1.128 -0.503 3.477 472 3HZ LYS 61 3HZ LYS 61 -1.704 -1.248 4.824 473 H VAL 62 HN VAL 62 3.063 3.136 0.303 474 HA VAL 62 HA VAL 62 5.713 3.047 1.694 475 HB VAL 62 HB VAL 62 4.882 3.051 -1.216 476 1HG1 VAL 62 3HG13 VAL 62 7.668 3.560 -0.082 477 2HG1 VAL 62 2HG12 VAL 62 7.317 3.121 -1.766 478 3HG1 VAL 62 1HG11 VAL 62 6.734 4.657 -1.126 479 1HG2 VAL 62 2HG22 VAL 62 5.019 0.884 0.019 480 2HG2 VAL 62 3HG23 VAL 62 6.290 1.024 -1.210 481 3HG2 VAL 62 1HG21 VAL 62 6.685 1.269 0.499 482 H ASP 63 HN ASP 63 6.394 4.854 2.569 483 HA ASP 63 HA ASP 63 5.253 7.447 1.887 484 1HB ASP 63 1HB ASP 63 6.056 7.151 4.132 485 2HB ASP 63 2HB ASP 63 7.674 6.720 3.538 486 H VAL 64 HN VAL 64 5.588 8.081 -0.149 487 HA VAL 64 HA VAL 64 7.772 7.572 -1.866 488 HB VAL 64 HB VAL 64 5.689 9.785 -1.702 489 1HG1 VAL 64 2HG12 VAL 64 7.807 9.411 -3.845 490 2HG1 VAL 64 1HG11 VAL 64 6.289 10.288 -4.107 491 3HG1 VAL 64 3HG13 VAL 64 7.449 10.879 -2.913 492 1HG2 VAL 64 2HG22 VAL 64 5.041 7.401 -2.239 493 2HG2 VAL 64 1HG21 VAL 64 4.649 8.579 -3.511 494 3HG2 VAL 64 3HG23 VAL 64 6.070 7.518 -3.679 495 H ASP 65 HN ASP 65 7.278 10.182 0.521 496 HA ASP 65 HA ASP 65 9.314 11.925 -0.309 497 1HB ASP 65 1HB ASP 65 7.570 12.325 1.478 498 2HB ASP 65 2HB ASP 65 8.556 11.372 2.594 499 H ALA 66 HN ALA 66 9.500 9.255 2.097 500 HA ALA 66 HA ALA 66 12.360 9.348 2.352 501 1HB ALA 66 3HB ALA 66 10.315 7.182 2.968 502 2HB ALA 66 1HB ALA 66 12.004 7.182 3.525 503 3HB ALA 66 2HB ALA 66 10.886 8.445 4.087 504 H VAL 67 HN VAL 67 10.193 6.928 0.707 505 HA VAL 67 HA VAL 67 12.578 5.706 -0.545 506 HB VAL 67 HB VAL 67 9.672 4.895 -0.895 507 1HG1 VAL 67 2HG22 VAL 67 11.465 3.943 -2.447 508 2HG1 VAL 67 1HG21 VAL 67 12.277 3.295 -1.024 509 3HG1 VAL 67 3HG23 VAL 67 10.650 2.725 -1.453 510 1HG2 VAL 67 3HG13 VAL 67 11.702 4.064 1.230 511 2HG2 VAL 67 2HG12 VAL 67 10.122 4.825 1.518 512 3HG2 VAL 67 1HG11 VAL 67 10.205 3.176 0.885 513 H ALA 68 HN ALA 68 12.698 8.103 -1.383 514 HA ALA 68 HA ALA 68 11.180 8.940 -3.612 515 1HB ALA 68 2HB ALA 68 12.695 10.405 -2.339 516 2HB ALA 68 1HB ALA 68 14.105 9.496 -2.930 517 3HB ALA 68 3HB ALA 68 13.103 10.425 -4.068 518 H ALA 69 HN ALA 69 14.153 6.956 -3.448 519 HA ALA 69 HA ALA 69 14.808 6.795 -6.143 520 1HB ALA 69 3HB ALA 69 15.019 4.614 -4.013 521 2HB ALA 69 1HB ALA 69 15.902 4.651 -5.554 522 3HB ALA 69 2HB ALA 69 16.203 5.899 -4.330 523 H VAL 70 HN VAL 70 12.686 4.445 -4.382 524 HA VAL 70 HA VAL 70 12.063 2.947 -6.747 525 HB VAL 70 HB VAL 70 10.370 3.205 -4.227 526 1HG1 VAL 70 2HG12 VAL 70 9.233 2.164 -6.236 527 2HG1 VAL 70 1HG11 VAL 70 10.517 0.951 -6.272 528 3HG1 VAL 70 3HG13 VAL 70 9.443 1.081 -4.859 529 1HG2 VAL 70 2HG22 VAL 70 12.689 2.394 -3.693 530 2HG2 VAL 70 3HG23 VAL 70 11.468 1.117 -3.511 531 3HG2 VAL 70 1HG21 VAL 70 12.511 1.151 -4.951 532 H ALA 71 HN ALA 71 10.352 5.601 -5.008 533 HA ALA 71 HA ALA 71 8.058 5.740 -6.622 534 1HB ALA 71 1HB ALA 71 8.419 7.049 -4.554 535 2HB ALA 71 2HB ALA 71 9.591 8.081 -5.399 536 3HB ALA 71 3HB ALA 71 7.892 8.077 -5.903 537 H GLU 72 HN GLU 72 11.223 7.385 -7.152 538 HA GLU 72 HA GLU 72 10.599 8.610 -9.598 539 1HB GLU 72 2HB GLU 72 12.903 8.323 -7.911 540 2HB GLU 72 1HB GLU 72 13.402 7.693 -9.478 541 1HG GLU 72 1HG GLU 72 12.589 9.740 -10.564 542 2HG GLU 72 2HG GLU 72 12.047 10.350 -8.971 543 H ALA 73 HN ALA 73 12.336 5.502 -9.030 544 HA ALA 73 HA ALA 73 12.649 4.824 -11.729 545 1HB ALA 73 2HB ALA 73 13.801 3.693 -9.846 546 2HB ALA 73 3HB ALA 73 12.264 2.965 -9.328 547 3HB ALA 73 1HB ALA 73 12.984 2.510 -10.888 548 H ALA 74 HN ALA 74 9.927 4.138 -9.550 549 HA ALA 74 HA ALA 74 8.412 2.573 -11.487 550 1HB ALA 74 2HB ALA 74 7.801 3.659 -8.724 551 2HB ALA 74 1HB ALA 74 6.712 2.624 -9.671 552 3HB ALA 74 3HB ALA 74 8.296 2.025 -9.169 553 H GLY 75 HN GLY 75 9.030 5.918 -11.342 554 1HA GLY 75 1HA GLY 75 8.104 7.666 -12.441 555 2HA GLY 75 2HA GLY 75 7.120 6.494 -13.337 556 H ILE 76 HN ILE 76 7.166 7.372 -9.838 557 HA ILE 76 HA ILE 76 4.243 7.575 -9.796 558 HB ILE 76 HB ILE 76 6.485 7.884 -7.792 559 1HG1 ILE 76 2HG12 ILE 76 5.474 6.069 -6.701 560 2HG1 ILE 76 1HG11 ILE 76 3.932 6.250 -7.549 561 1HG2 ILE 76 2HG22 ILE 76 3.596 8.731 -7.363 562 2HG2 ILE 76 1HG21 ILE 76 4.716 8.330 -6.045 563 3HG2 ILE 76 3HG23 ILE 76 5.065 9.693 -7.103 564 1HD1 ILE 76 1HD11 ILE 76 6.504 5.371 -8.867 565 2HD1 ILE 76 2HD12 ILE 76 5.252 4.268 -8.273 566 3HD1 ILE 76 3HD13 ILE 76 4.884 5.364 -9.603 567 H THR 77 HN THR 77 3.188 9.355 -10.567 568 HA THR 77 HA THR 77 4.618 11.937 -10.788 569 HB THR 77 HB THR 77 2.613 12.420 -12.256 570 HG1 THR 77 HG1 THR 77 1.484 10.420 -12.862 571 1HG2 THR 77 1HG21 THR 77 4.771 11.590 -13.189 572 2HG2 THR 77 3HG23 THR 77 4.210 9.918 -12.990 573 3HG2 THR 77 2HG22 THR 77 3.378 11.006 -14.115 574 H ALA 78 HN ALA 78 1.175 11.342 -10.360 575 HA ALA 78 HA ALA 78 1.028 13.547 -8.370 576 1HB ALA 78 2HB ALA 78 -1.116 12.018 -9.886 577 2HB ALA 78 1HB ALA 78 -1.403 13.368 -8.767 578 3HB ALA 78 3HB ALA 78 -0.485 13.632 -10.264 579 H MET 79 HN MET 79 1.619 12.788 -6.365 580 HA MET 79 HA MET 79 0.845 10.177 -5.402 581 1HB MET 79 2HB MET 79 1.705 12.502 -3.651 582 2HB MET 79 1HB MET 79 1.830 10.768 -3.350 583 1HG MET 79 1HG MET 79 3.988 11.162 -3.945 584 2HG MET 79 2HG MET 79 3.350 10.861 -5.562 585 1HE MET 79 3HE MET 79 5.130 12.049 -6.929 586 2HE MET 79 2HE MET 79 5.822 13.636 -6.545 587 3HE MET 79 1HE MET 79 6.113 12.260 -5.458 588 HA PRO 80 HA PRO 80 -0.106 9.132 -3.466 589 1HB PRO 80 2HB PRO 80 -3.008 8.329 -3.508 590 2HB PRO 80 1HB PRO 80 -1.748 7.911 -2.312 591 1HG PRO 80 2HG PRO 80 -3.537 9.788 -1.680 592 2HG PRO 80 1HG PRO 80 -1.811 10.108 -1.384 593 1HD PRO 80 1HD PRO 80 -3.425 10.987 -3.814 594 2HD PRO 80 2HD PRO 80 -2.435 11.998 -2.723 595 H THR 81 HN THR 81 0.430 7.428 -4.792 596 HA THR 81 HA THR 81 -1.062 7.064 -7.366 597 HB THR 81 HB THR 81 1.904 7.118 -6.789 598 HG1 THR 81 HG1 THR 81 0.345 9.001 -7.566 599 1HG2 THR 81 2HG22 THR 81 0.410 6.089 -9.246 600 2HG2 THR 81 3HG23 THR 81 2.121 6.554 -9.261 601 3HG2 THR 81 1HG21 THR 81 1.591 5.215 -8.236 602 H PHE 82 HN PHE 82 -2.191 5.243 -7.146 603 HA PHE 82 HA PHE 82 -1.226 3.029 -5.462 604 1HB PHE 82 2HB PHE 82 -3.749 3.471 -7.088 605 2HB PHE 82 1HB PHE 82 -3.403 2.019 -6.160 606 HD1 PHE 82 HD2 PHE 82 -3.274 2.073 -3.687 607 HD2 PHE 82 HD1 PHE 82 -4.363 5.593 -5.950 608 HE1 PHE 82 HE2 PHE 82 -3.903 3.249 -1.600 609 HE2 PHE 82 HE1 PHE 82 -4.955 6.750 -3.847 610 HZ PHE 82 HZ PHE 82 -4.573 5.599 -1.648 611 H HIS 83 HN HIS 83 -0.195 1.306 -6.292 612 HA HIS 83 HA HIS 83 -0.059 0.849 -9.253 613 1HB HIS 83 1HB HIS 83 1.989 1.221 -7.122 614 2HB HIS 83 2HB HIS 83 2.242 -0.169 -8.157 615 HD2 HIS 83 HD2 HIS 83 0.930 3.318 -9.481 616 HE1 HIS 83 HE1 HIS 83 4.818 2.696 -10.976 617 HE2 HIS 83 HE2 HIS 83 2.808 4.228 -11.071 618 H VAL 84 HN VAL 84 -0.517 -1.284 -9.841 619 HA VAL 84 HA VAL 84 -0.906 -3.244 -7.597 620 HB VAL 84 HB VAL 84 -2.236 -3.300 -10.328 621 1HG1 VAL 84 3HG23 VAL 84 -2.763 -4.688 -7.657 622 2HG1 VAL 84 2HG22 VAL 84 -3.746 -4.865 -9.122 623 3HG1 VAL 84 1HG21 VAL 84 -2.074 -5.452 -9.099 624 1HG2 VAL 84 2HG12 VAL 84 -3.313 -2.164 -7.716 625 2HG2 VAL 84 3HG13 VAL 84 -3.039 -1.267 -9.229 626 3HG2 VAL 84 1HG11 VAL 84 -4.281 -2.520 -9.164 627 H TYR 85 HN TYR 85 1.201 -4.127 -7.533 628 HA TYR 85 HA TYR 85 2.368 -5.095 -10.090 629 1HB TYR 85 2HB TYR 85 3.449 -5.200 -7.277 630 2HB TYR 85 1HB TYR 85 4.214 -5.930 -8.668 631 HD1 TYR 85 HD1 TYR 85 3.150 -2.698 -7.172 632 HD2 TYR 85 HD2 TYR 85 5.729 -4.671 -9.995 633 HE1 TYR 85 HE1 TYR 85 4.333 -0.554 -7.621 634 HE2 TYR 85 HE2 TYR 85 6.795 -2.493 -10.541 635 HH TYR 85 HH TYR 85 5.268 0.526 -9.511 636 H LYS 86 HN LYS 86 0.293 -6.377 -10.352 637 HA LYS 86 HA LYS 86 -0.294 -8.502 -8.548 638 1HB LYS 86 1HB LYS 86 -1.844 -7.668 -10.320 639 2HB LYS 86 2HB LYS 86 -0.828 -8.467 -11.545 640 1HG LYS 86 2HG LYS 86 -1.407 -10.644 -10.745 641 2HG LYS 86 1HG LYS 86 -1.924 -10.024 -9.182 642 1HD LYS 86 1HD LYS 86 -3.837 -10.751 -10.368 643 2HD LYS 86 2HD LYS 86 -3.937 -9.005 -10.166 644 1HE LYS 86 2HE LYS 86 -2.926 -10.337 -12.729 645 2HE LYS 86 1HE LYS 86 -4.633 -9.975 -12.430 646 1HZ LYS 86 2HZ LYS 86 -4.095 -7.675 -12.209 647 2HZ LYS 86 3HZ LYS 86 -2.500 -7.974 -12.494 648 3HZ LYS 86 1HZ LYS 86 -3.611 -8.256 -13.672 649 H ASP 87 HN ASP 87 0.568 -10.408 -8.211 650 HA ASP 87 HA ASP 87 1.894 -12.222 -8.222 651 1HB ASP 87 2HB ASP 87 1.547 -12.618 -10.650 652 2HB ASP 87 1HB ASP 87 2.784 -11.441 -11.065 653 H GLY 88 HN GLY 88 3.539 -9.777 -10.073 654 1HA GLY 88 1HA GLY 88 4.951 -8.441 -8.041 655 2HA GLY 88 2HA GLY 88 6.040 -9.690 -8.685 656 H VAL 89 HN VAL 89 3.544 -8.162 -10.760 657 HA VAL 89 HA VAL 89 5.633 -6.530 -12.119 658 HB VAL 89 HB VAL 89 3.658 -8.424 -13.466 659 1HG1 VAL 89 2HG22 VAL 89 5.919 -6.707 -14.587 660 2HG1 VAL 89 1HG21 VAL 89 4.928 -7.851 -15.515 661 3HG1 VAL 89 3HG23 VAL 89 4.180 -6.414 -14.811 662 1HG2 VAL 89 2HG12 VAL 89 6.667 -8.708 -13.075 663 2HG2 VAL 89 3HG13 VAL 89 5.401 -9.788 -12.441 664 3HG2 VAL 89 1HG11 VAL 89 5.685 -9.695 -14.179 665 H LYS 90 HN LYS 90 4.874 -4.521 -12.134 666 HA LYS 90 HA LYS 90 2.492 -3.397 -11.492 667 1HB LYS 90 1HB LYS 90 4.732 -2.326 -12.127 668 2HB LYS 90 2HB LYS 90 4.197 -2.415 -13.799 669 1HG LYS 90 1HG LYS 90 2.113 -1.077 -13.038 670 2HG LYS 90 2HG LYS 90 2.878 -0.952 -11.459 671 1HD LYS 90 2HD LYS 90 3.316 1.068 -12.682 672 2HD LYS 90 1HD LYS 90 4.838 0.202 -12.462 673 1HE LYS 90 1HE LYS 90 4.530 1.233 -14.730 674 2HE LYS 90 2HE LYS 90 4.814 -0.509 -14.814 675 1HZ LYS 90 2HZ LYS 90 2.161 0.755 -14.896 676 2HZ LYS 90 1HZ LYS 90 3.010 0.266 -16.228 677 3HZ LYS 90 3HZ LYS 90 2.498 -0.843 -15.124 678 H ALA 91 HN ALA 91 0.700 -4.638 -12.166 679 HA ALA 91 HA ALA 91 0.183 -5.140 -15.002 680 1HB ALA 91 2HB ALA 91 -0.339 -6.801 -13.260 681 2HB ALA 91 3HB ALA 91 -1.475 -5.663 -12.496 682 3HB ALA 91 1HB ALA 91 -1.806 -6.292 -14.125 683 H ASP 92 HN ASP 92 -0.904 -2.874 -12.511 684 HA ASP 92 HA ASP 92 -2.267 -1.228 -14.479 685 1HB ASP 92 1HB ASP 92 -3.914 -3.049 -13.852 686 2HB ASP 92 2HB ASP 92 -3.842 -2.472 -12.173 687 H ASP 93 HN ASP 93 -3.041 0.807 -13.344 688 HA ASP 93 HA ASP 93 -1.715 1.413 -10.796 689 1HB ASP 93 1HB ASP 93 -1.075 3.008 -13.313 690 2HB ASP 93 2HB ASP 93 -0.473 3.328 -11.683 691 H LEU 94 HN LEU 94 -2.345 3.635 -10.090 692 HA LEU 94 HA LEU 94 -4.559 4.984 -11.454 693 1HB LEU 94 2HB LEU 94 -5.817 3.215 -10.490 694 2HB LEU 94 1HB LEU 94 -4.913 3.262 -8.978 695 HG LEU 94 HG LEU 94 -5.959 5.466 -8.428 696 1HD1 LEU 94 3HD13 LEU 94 -7.408 4.980 -11.068 697 2HD1 LEU 94 1HD11 LEU 94 -7.870 6.209 -9.875 698 3HD1 LEU 94 2HD12 LEU 94 -6.317 6.333 -10.694 699 1HD2 LEU 94 1HD21 LEU 94 -7.897 3.241 -9.154 700 2HD2 LEU 94 3HD23 LEU 94 -6.940 3.364 -7.663 701 3HD2 LEU 94 2HD22 LEU 94 -8.191 4.565 -8.001 702 H VAL 95 HN VAL 95 -4.003 7.102 -11.152 703 HA VAL 95 HA VAL 95 -2.478 7.897 -8.760 704 HB VAL 95 HB VAL 95 -2.247 10.034 -9.892 705 1HG1 VAL 95 3HG23 VAL 95 -0.597 8.247 -10.278 706 2HG1 VAL 95 2HG22 VAL 95 -1.514 7.689 -11.694 707 3HG1 VAL 95 1HG21 VAL 95 -0.768 9.299 -11.692 708 1HG2 VAL 95 2HG12 VAL 95 -4.370 10.102 -11.181 709 2HG2 VAL 95 1HG11 VAL 95 -2.954 10.387 -12.198 710 3HG2 VAL 95 3HG13 VAL 95 -3.763 8.813 -12.243 711 H GLY 96 HN GLY 96 -3.133 9.623 -7.404 712 1HA GLY 96 1HA GLY 96 -4.554 11.259 -6.552 713 2HA GLY 96 2HA GLY 96 -5.851 10.747 -7.652 714 H ALA 97 HN ALA 97 -6.585 11.260 -5.171 715 HA ALA 97 HA ALA 97 -6.440 9.276 -3.187 716 1HB ALA 97 3HB ALA 97 -7.386 11.584 -2.893 717 2HB ALA 97 1HB ALA 97 -8.798 11.116 -3.859 718 3HB ALA 97 2HB ALA 97 -8.490 10.325 -2.299 719 H SER 98 HN SER 98 -8.518 9.606 -5.978 720 HA SER 98 HA SER 98 -10.388 8.320 -6.741 721 1HB SER 98 2HB SER 98 -7.753 6.864 -7.084 722 2HB SER 98 1HB SER 98 -9.121 6.930 -8.220 723 HG SER 98 HG SER 98 -7.261 8.500 -8.503 724 H GLN 99 HN GLN 99 -10.993 7.742 -4.228 725 HA GLN 99 HA GLN 99 -10.425 5.223 -3.179 726 1HB GLN 99 2HB GLN 99 -12.928 6.956 -2.922 727 2HB GLN 99 1HB GLN 99 -12.560 5.579 -1.876 728 1HG GLN 99 1HG GLN 99 -10.763 8.043 -2.161 729 2HG GLN 99 2HG GLN 99 -11.938 7.762 -0.879 730 1HE2 GLN 99 2HE22 GLN 99 -8.318 5.998 -0.571 731 2HE2 GLN 99 1HE21 GLN 99 -8.692 6.936 -2.017 732 H ASP 100 HN ASP 100 -13.513 5.993 -4.916 733 HA ASP 100 HA ASP 100 -14.535 3.411 -4.968 734 1HB ASP 100 2HB ASP 100 -14.789 5.500 -7.183 735 2HB ASP 100 1HB ASP 100 -15.908 4.173 -6.837 736 H LYS 101 HN LYS 101 -12.376 4.988 -7.273 737 HA LYS 101 HA LYS 101 -12.142 2.865 -9.180 738 1HB LYS 101 2HB LYS 101 -10.471 5.268 -8.405 739 2HB LYS 101 1HB LYS 101 -9.998 4.217 -9.734 740 1HG LYS 101 2HG LYS 101 -12.161 4.640 -10.856 741 2HG LYS 101 1HG LYS 101 -12.658 5.694 -9.519 742 1HD LYS 101 1HD LYS 101 -10.773 7.233 -10.012 743 2HD LYS 101 2HD LYS 101 -10.198 6.136 -11.279 744 1HE LYS 101 1HE LYS 101 -11.410 7.995 -12.284 745 2HE LYS 101 2HE LYS 101 -12.295 6.487 -12.558 746 1HZ LYS 101 2HZ LYS 101 -12.897 8.471 -10.471 747 2HZ LYS 101 1HZ LYS 101 -13.721 8.281 -11.885 748 3HZ LYS 101 3HZ LYS 101 -13.744 7.085 -10.755 749 H LEU 102 HN LEU 102 -10.238 3.732 -6.253 750 HA LEU 102 HA LEU 102 -8.246 1.765 -6.398 751 1HB LEU 102 2HB LEU 102 -8.762 3.748 -4.651 752 2HB LEU 102 1HB LEU 102 -9.526 2.456 -3.740 753 HG LEU 102 HG LEU 102 -6.628 2.781 -4.575 754 1HD1 LEU 102 3HD13 LEU 102 -8.112 2.694 -1.901 755 2HD1 LEU 102 2HD12 LEU 102 -6.362 2.826 -2.081 756 3HD1 LEU 102 1HD11 LEU 102 -7.403 4.127 -2.676 757 1HD2 LEU 102 1HD21 LEU 102 -7.911 0.392 -3.186 758 2HD2 LEU 102 2HD22 LEU 102 -7.059 0.396 -4.751 759 3HD2 LEU 102 3HD23 LEU 102 -6.165 0.722 -3.264 760 H LYS 103 HN LYS 103 -11.444 1.643 -4.728 761 HA LYS 103 HA LYS 103 -11.370 -1.042 -3.877 762 1HB LYS 103 2HB LYS 103 -13.706 0.737 -4.718 763 2HB LYS 103 1HB LYS 103 -13.875 -0.832 -3.931 764 1HG LYS 103 2HG LYS 103 -12.695 -0.067 -1.960 765 2HG LYS 103 1HG LYS 103 -12.324 1.492 -2.732 766 1HD LYS 103 2HD LYS 103 -14.753 2.009 -2.854 767 2HD LYS 103 1HD LYS 103 -15.124 0.440 -2.124 768 1HE LYS 103 2HE LYS 103 -15.243 2.193 -0.427 769 2HE LYS 103 1HE LYS 103 -13.902 1.097 -0.060 770 1HZ LYS 103 2HZ LYS 103 -13.667 3.711 -1.385 771 2HZ LYS 103 1HZ LYS 103 -13.304 3.399 0.192 772 3HZ LYS 103 3HZ LYS 103 -12.412 2.712 -1.008 773 H ALA 104 HN ALA 104 -12.724 0.328 -6.929 774 HA ALA 104 HA ALA 104 -13.545 -2.098 -8.089 775 1HB ALA 104 2HB ALA 104 -14.091 0.151 -8.977 776 2HB ALA 104 1HB ALA 104 -12.408 0.355 -9.508 777 3HB ALA 104 3HB ALA 104 -13.417 -0.912 -10.229 778 H LEU 105 HN LEU 105 -10.298 -0.497 -8.283 779 HA LEU 105 HA LEU 105 -9.164 -2.478 -9.995 780 1HB LEU 105 1HB LEU 105 -7.805 -0.658 -7.963 781 2HB LEU 105 2HB LEU 105 -6.980 -1.752 -9.064 782 HG LEU 105 HG LEU 105 -8.418 0.810 -9.705 783 1HD1 LEU 105 2HD12 LEU 105 -5.788 -0.472 -10.575 784 2HD1 LEU 105 1HD11 LEU 105 -6.358 1.129 -11.055 785 3HD1 LEU 105 3HD13 LEU 105 -5.986 0.800 -9.348 786 1HD2 LEU 105 3HD23 LEU 105 -7.959 -1.436 -11.697 787 2HD2 LEU 105 2HD22 LEU 105 -9.511 -0.660 -11.290 788 3HD2 LEU 105 1HD21 LEU 105 -8.262 0.254 -12.138 789 H VAL 106 HN VAL 106 -9.041 -2.227 -6.369 790 HA VAL 106 HA VAL 106 -7.556 -4.636 -6.090 791 HB VAL 106 HB VAL 106 -9.662 -3.601 -4.132 792 1HG1 VAL 106 3HG23 VAL 106 -7.213 -5.408 -3.844 793 2HG1 VAL 106 1HG21 VAL 106 -8.201 -4.828 -2.490 794 3HG1 VAL 106 2HG22 VAL 106 -8.891 -5.935 -3.686 795 1HG2 VAL 106 3HG13 VAL 106 -6.674 -3.007 -4.327 796 2HG2 VAL 106 1HG11 VAL 106 -7.975 -1.843 -4.585 797 3HG2 VAL 106 2HG12 VAL 106 -7.740 -2.533 -2.983 798 H ALA 107 HN ALA 107 -11.068 -4.115 -6.178 799 HA ALA 107 HA ALA 107 -11.935 -6.766 -5.836 800 1HB ALA 107 2HB ALA 107 -13.449 -4.806 -5.892 801 2HB ALA 107 1HB ALA 107 -13.179 -4.639 -7.637 802 3HB ALA 107 3HB ALA 107 -13.983 -6.083 -7.000 803 H LYS 108 HN LYS 108 -11.321 -5.182 -9.102 804 HA LYS 108 HA LYS 108 -11.806 -7.649 -10.451 805 1HB LYS 108 1HB LYS 108 -10.928 -6.590 -12.372 806 2HB LYS 108 2HB LYS 108 -11.937 -5.418 -11.497 807 1HG LYS 108 1HG LYS 108 -9.841 -4.389 -10.666 808 2HG LYS 108 2HG LYS 108 -8.901 -5.505 -11.680 809 1HD LYS 108 1HD LYS 108 -9.058 -3.338 -12.712 810 2HD LYS 108 2HD LYS 108 -9.805 -4.589 -13.707 811 1HE LYS 108 1HE LYS 108 -12.037 -3.824 -13.115 812 2HE LYS 108 2HE LYS 108 -11.410 -2.824 -11.790 813 1HZ LYS 108 3HZ LYS 108 -10.925 -2.386 -14.655 814 2HZ LYS 108 2HZ LYS 108 -11.968 -1.531 -13.708 815 3HZ LYS 108 1HZ LYS 108 -10.346 -1.447 -13.430 816 H HIS 109 HN HIS 109 -8.736 -6.099 -9.514 817 HA HIS 109 HA HIS 109 -7.103 -8.112 -10.715 818 1HB HIS 109 2HB HIS 109 -6.556 -6.011 -8.583 819 2HB HIS 109 1HB HIS 109 -5.338 -7.113 -9.223 820 HD2 HIS 109 HD2 HIS 109 -7.215 -3.905 -10.419 821 HE1 HIS 109 HE1 HIS 109 -4.811 -5.263 -13.588 822 HE2 HIS 109 HE2 HIS 109 -6.227 -3.316 -12.747 823 H ALA 110 HN ALA 110 -8.609 -7.955 -7.461 824 HA ALA 110 HA ALA 110 -7.215 -10.361 -6.540 825 1HB ALA 110 1HB ALA 110 -8.021 -8.522 -5.025 826 2HB ALA 110 2HB ALA 110 -9.689 -8.965 -5.434 827 3HB ALA 110 3HB ALA 110 -8.643 -10.127 -4.591 828 H ALA 111 HN ALA 111 -8.259 -10.955 -9.021 829 HA ALA 111 HA ALA 111 -10.864 -12.101 -9.015 830 1HB ALA 111 2HB ALA 111 -9.595 -11.559 -11.069 831 2HB ALA 111 1HB ALA 111 -8.403 -12.819 -10.671 832 3HB ALA 111 3HB ALA 111 -10.080 -13.266 -11.052 833 H ALA 112 HN ALA 112 -7.774 -13.318 -7.781 834 HA ALA 112 HA ALA 112 -8.921 -15.516 -6.435 835 1HB ALA 112 2HB ALA 112 -7.061 -16.097 -8.798 836 2HB ALA 112 1HB ALA 112 -7.548 -17.267 -7.553 837 3HB ALA 112 3HB ALA 112 -8.760 -16.611 -8.671 No H/Q in entry = 837 Start of MODEL 13 1 1H GLY 1 2HN GLY 1 -5.215 -6.829 5.755 2 2H GLY 1 1HN GLY 1 -5.873 -7.746 4.500 3 3H GLY 1 3HN GLY 1 -6.659 -7.572 5.917 4 1HA GLY 1 1HA GLY 1 -5.626 -9.414 6.682 5 2HA GLY 1 2HA GLY 1 -4.705 -9.462 5.155 6 H GLY 2 HN GLY 2 -3.095 -10.292 7.008 7 1HA GLY 2 1HA GLY 2 -1.909 -8.479 8.812 8 2HA GLY 2 2HA GLY 2 -1.115 -9.891 8.088 9 H SER 3 HN SER 3 -1.030 -9.248 5.408 10 HA SER 3 HA SER 3 1.183 -7.528 5.208 11 1HB SER 3 1HB SER 3 -0.614 -8.544 2.972 12 2HB SER 3 2HB SER 3 1.137 -8.252 2.923 13 HG SER 3 HG SER 3 1.356 -9.985 4.421 14 H VAL 4 HN VAL 4 -0.673 -5.748 6.312 15 HA VAL 4 HA VAL 4 -0.797 -3.730 4.198 16 HB VAL 4 HB VAL 4 -3.103 -4.301 6.109 17 1HG1 VAL 4 3HG23 VAL 4 -2.357 -2.076 4.306 18 2HG1 VAL 4 1HG21 VAL 4 -4.039 -2.596 4.159 19 3HG1 VAL 4 2HG22 VAL 4 -3.376 -2.116 5.744 20 1HG2 VAL 4 3HG13 VAL 4 -2.939 -5.136 3.208 21 2HG2 VAL 4 2HG12 VAL 4 -3.408 -6.076 4.608 22 3HG2 VAL 4 1HG11 VAL 4 -4.477 -4.821 4.006 23 H ILE 5 HN ILE 5 0.980 -2.687 5.164 24 HA ILE 5 HA ILE 5 0.441 -1.401 7.757 25 HB ILE 5 HB ILE 5 2.779 -2.006 8.531 26 1HG1 ILE 5 1HG11 ILE 5 2.532 -4.224 6.440 27 2HG1 ILE 5 2HG12 ILE 5 3.606 -2.828 6.319 28 1HG2 ILE 5 1HG21 ILE 5 0.638 -3.049 9.404 29 2HG2 ILE 5 3HG23 ILE 5 0.926 -4.418 8.309 30 3HG2 ILE 5 2HG22 ILE 5 2.079 -4.043 9.600 31 1HD1 ILE 5 2HD12 ILE 5 4.744 -3.555 8.430 32 2HD1 ILE 5 1HD11 ILE 5 3.746 -5.030 8.413 33 3HD1 ILE 5 3HD13 ILE 5 4.880 -4.719 7.095 34 H VAL 6 HN VAL 6 1.630 0.445 8.095 35 HA VAL 6 HA VAL 6 2.341 1.893 5.669 36 HB VAL 6 HB VAL 6 2.426 2.816 8.573 37 1HG1 VAL 6 1HG21 VAL 6 3.427 4.363 6.770 38 2HG1 VAL 6 3HG23 VAL 6 1.793 4.444 6.082 39 3HG1 VAL 6 2HG22 VAL 6 2.096 5.032 7.720 40 1HG2 VAL 6 1HG11 VAL 6 0.068 2.736 6.651 41 2HG2 VAL 6 3HG13 VAL 6 0.182 1.938 8.237 42 3HG2 VAL 6 2HG12 VAL 6 0.106 3.696 8.143 43 H ILE 7 HN ILE 7 4.150 -0.024 5.635 44 HA ILE 7 HA ILE 7 6.537 0.839 7.197 45 HB ILE 7 HB ILE 7 5.787 -1.468 7.361 46 1HG1 ILE 7 2HG12 ILE 7 8.564 -1.102 6.142 47 2HG1 ILE 7 1HG11 ILE 7 8.105 -0.595 7.759 48 1HG2 ILE 7 1HG21 ILE 7 5.101 -1.748 4.900 49 2HG2 ILE 7 3HG23 ILE 7 6.813 -1.950 4.524 50 3HG2 ILE 7 2HG22 ILE 7 6.018 -3.076 5.617 51 1HD1 ILE 7 3HD13 ILE 7 7.903 -3.497 6.897 52 2HD1 ILE 7 1HD11 ILE 7 9.200 -2.771 7.867 53 3HD1 ILE 7 2HD12 ILE 7 7.540 -2.812 8.486 54 H ASP 8 HN ASP 8 6.910 2.685 6.145 55 HA ASP 8 HA ASP 8 7.487 2.888 3.287 56 1HB ASP 8 1HB ASP 8 7.680 4.809 5.655 57 2HB ASP 8 2HB ASP 8 8.262 5.219 4.035 58 H SER 9 HN SER 9 8.945 0.987 3.658 59 HA SER 9 HA SER 9 11.736 2.058 3.745 60 1HB SER 9 1HB SER 9 10.844 -0.436 5.229 61 2HB SER 9 2HB SER 9 12.492 0.218 5.135 62 HG SER 9 HG SER 9 11.045 2.233 5.915 63 H LYS 10 HN LYS 10 12.760 1.529 1.900 64 HA LYS 10 HA LYS 10 11.784 0.001 -0.177 65 1HB LYS 10 1HB LYS 10 13.751 1.575 -0.200 66 2HB LYS 10 2HB LYS 10 14.730 0.319 0.564 67 1HG LYS 10 2HG LYS 10 14.340 -1.180 -1.367 68 2HG LYS 10 1HG LYS 10 13.281 0.032 -2.109 69 1HD LYS 10 1HD LYS 10 15.206 1.644 -2.143 70 2HD LYS 10 2HD LYS 10 16.256 0.376 -1.499 71 1HE LYS 10 1HE LYS 10 14.733 0.274 -4.154 72 2HE LYS 10 2HE LYS 10 16.460 0.615 -3.964 73 1HZ LYS 10 2HZ LYS 10 16.727 -1.568 -3.021 74 2HZ LYS 10 3HZ LYS 10 15.127 -1.897 -3.235 75 3HZ LYS 10 1HZ LYS 10 16.097 -1.648 -4.541 76 H ALA 11 HN ALA 11 13.903 -1.028 2.470 77 HA ALA 11 HA ALA 11 14.409 -3.701 1.666 78 1HB ALA 11 3HB ALA 11 15.601 -2.581 3.516 79 2HB ALA 11 1HB ALA 11 14.110 -2.564 4.487 80 3HB ALA 11 2HB ALA 11 14.878 -4.108 4.060 81 H ALA 12 HN ALA 12 11.654 -2.273 3.434 82 HA ALA 12 HA ALA 12 10.404 -4.814 4.083 83 1HB ALA 12 1HB ALA 12 10.031 -2.768 5.423 84 2HB ALA 12 2HB ALA 12 9.228 -1.995 4.035 85 3HB ALA 12 3HB ALA 12 8.529 -3.448 4.758 86 H TRP 13 HN TRP 13 9.972 -2.245 1.617 87 HA TRP 13 HA TRP 13 7.787 -3.314 0.189 88 1HB TRP 13 2HB TRP 13 8.312 -1.315 -0.721 89 2HB TRP 13 1HB TRP 13 10.007 -1.443 -0.338 90 HD1 TRP 13 HD1 TRP 13 11.646 -2.561 -2.150 91 HE1 TRP 13 HE1 TRP 13 11.533 -2.641 -4.701 92 HE3 TRP 13 HE3 TRP 13 6.674 -1.486 -2.802 93 HZ2 TRP 13 HZ2 TRP 13 9.633 -2.166 -6.743 94 HZ3 TRP 13 HZ3 TRP 13 5.812 -1.114 -5.103 95 HH2 TRP 13 HH2 TRP 13 7.252 -1.505 -7.066 96 H ASP 14 HN ASP 14 11.275 -3.937 -0.316 97 HA ASP 14 HA ASP 14 10.983 -5.906 -2.329 98 1HB ASP 14 1HB ASP 14 13.047 -4.688 -1.775 99 2HB ASP 14 2HB ASP 14 13.213 -5.570 -0.262 100 H ALA 15 HN ALA 15 11.719 -6.359 1.107 101 HA ALA 15 HA ALA 15 11.680 -9.157 1.169 102 1HB ALA 15 2HB ALA 15 12.496 -7.730 3.015 103 2HB ALA 15 1HB ALA 15 10.829 -7.239 3.386 104 3HB ALA 15 3HB ALA 15 11.333 -8.929 3.601 105 H GLN 16 HN GLN 16 8.967 -6.947 1.816 106 HA GLN 16 HA GLN 16 7.042 -8.983 2.377 107 1HB GLN 16 1HB GLN 16 6.936 -6.624 3.094 108 2HB GLN 16 2HB GLN 16 6.514 -6.150 1.430 109 1HG GLN 16 2HG GLN 16 4.484 -7.547 1.552 110 2HG GLN 16 1HG GLN 16 4.976 -8.188 3.122 111 1HE2 GLN 16 1HE21 GLN 16 4.299 -4.322 3.913 112 2HE2 GLN 16 2HE22 GLN 16 5.770 -4.878 3.133 113 H LEU 17 HN LEU 17 7.765 -7.055 -0.599 114 HA LEU 17 HA LEU 17 5.888 -8.146 -2.356 115 1HB LEU 17 1HB LEU 17 7.229 -6.264 -2.981 116 2HB LEU 17 2HB LEU 17 8.741 -7.138 -2.711 117 HG LEU 17 HG LEU 17 8.379 -8.527 -4.657 118 1HD1 LEU 17 2HD12 LEU 17 5.877 -6.838 -5.113 119 2HD1 LEU 17 3HD13 LEU 17 6.562 -7.997 -6.266 120 3HD1 LEU 17 1HD11 LEU 17 5.898 -8.575 -4.732 121 1HD2 LEU 17 1HD21 LEU 17 9.587 -6.395 -4.852 122 2HD2 LEU 17 2HD22 LEU 17 8.699 -6.764 -6.342 123 3HD2 LEU 17 3HD23 LEU 17 8.067 -5.549 -5.210 124 H ALA 18 HN ALA 18 9.207 -9.323 -1.679 125 HA ALA 18 HA ALA 18 9.102 -11.606 -3.328 126 1HB ALA 18 1HB ALA 18 11.162 -10.639 -2.418 127 2HB ALA 18 3HB ALA 18 10.689 -11.100 -0.770 128 3HB ALA 18 2HB ALA 18 11.033 -12.357 -1.981 129 H LYS 19 HN LYS 19 8.657 -11.539 0.313 130 HA LYS 19 HA LYS 19 7.992 -14.319 0.373 131 1HB LYS 19 2HB LYS 19 7.294 -14.008 2.625 132 2HB LYS 19 1HB LYS 19 8.729 -13.013 2.337 133 1HG LYS 19 2HG LYS 19 7.291 -11.039 2.147 134 2HG LYS 19 1HG LYS 19 5.834 -12.000 2.342 135 1HD LYS 19 1HD LYS 19 6.368 -10.896 4.444 136 2HD LYS 19 2HD LYS 19 6.427 -12.653 4.597 137 1HE LYS 19 1HE LYS 19 8.272 -11.536 5.814 138 2HE LYS 19 2HE LYS 19 8.877 -12.635 4.573 139 1HZ LYS 19 3HZ LYS 19 8.636 -9.716 4.320 140 2HZ LYS 19 2HZ LYS 19 10.032 -10.561 4.556 141 3HZ LYS 19 1HZ LYS 19 9.193 -10.729 3.145 142 H GLY 20 HN GLY 20 6.020 -11.514 -0.442 143 1HA GLY 20 1HA GLY 20 3.443 -12.564 -0.087 144 2HA GLY 20 2HA GLY 20 3.941 -11.375 -1.306 145 H LYS 21 HN LYS 21 5.906 -13.498 -2.480 146 HA LYS 21 HA LYS 21 5.861 -14.885 -4.291 147 1HB LYS 21 2HB LYS 21 3.498 -16.148 -2.828 148 2HB LYS 21 1HB LYS 21 4.410 -16.885 -4.153 149 1HG LYS 21 1HG LYS 21 6.462 -16.897 -2.822 150 2HG LYS 21 2HG LYS 21 5.667 -15.986 -1.541 151 1HD LYS 21 2HD LYS 21 3.998 -17.929 -1.329 152 2HD LYS 21 1HD LYS 21 5.080 -18.839 -2.395 153 1HE LYS 21 1HE LYS 21 5.659 -19.399 -0.116 154 2HE LYS 21 2HE LYS 21 6.961 -18.369 -0.737 155 1HZ LYS 21 1HZ LYS 21 5.873 -16.509 0.404 156 2HZ LYS 21 2HZ LYS 21 4.724 -17.528 0.982 157 3HZ LYS 21 3HZ LYS 21 6.292 -17.714 1.448 158 H GLU 22 HN GLU 22 5.171 -12.739 -5.032 159 HA GLU 22 HA GLU 22 2.608 -11.899 -5.763 160 1HB GLU 22 1HB GLU 22 3.867 -10.155 -6.947 161 2HB GLU 22 2HB GLU 22 4.563 -10.450 -5.358 162 1HG GLU 22 1HG GLU 22 5.760 -11.928 -7.720 163 2HG GLU 22 2HG GLU 22 6.036 -10.202 -7.570 164 H GLU 23 HN GLU 23 2.826 -14.559 -6.928 165 HA GLU 23 HA GLU 23 3.299 -14.481 -9.733 166 1HB GLU 23 1HB GLU 23 1.395 -16.228 -8.089 167 2HB GLU 23 2HB GLU 23 1.873 -16.527 -9.767 168 1HG GLU 23 1HG GLU 23 4.206 -16.819 -9.088 169 2HG GLU 23 2HG GLU 23 3.829 -16.379 -7.416 170 H HIS 24 HN HIS 24 -0.008 -14.837 -8.336 171 HA HIS 24 HA HIS 24 -0.980 -12.728 -10.198 172 1HB HIS 24 1HB HIS 24 -3.041 -13.974 -10.284 173 2HB HIS 24 2HB HIS 24 -1.763 -15.169 -10.528 174 HD2 HIS 24 HD2 HIS 24 -4.622 -14.288 -8.067 175 HE1 HIS 24 HE1 HIS 24 -2.470 -17.473 -6.316 176 HE2 HIS 24 HE2 HIS 24 -4.627 -16.067 -6.177 177 H LYS 25 HN LYS 25 0.073 -12.702 -7.322 178 HA LYS 25 HA LYS 25 -2.321 -12.219 -5.748 179 1HB LYS 25 1HB LYS 25 0.410 -11.393 -4.814 180 2HB LYS 25 2HB LYS 25 -0.978 -11.868 -3.865 181 1HG LYS 25 2HG LYS 25 0.700 -13.727 -5.603 182 2HG LYS 25 1HG LYS 25 0.764 -13.586 -3.846 183 1HD LYS 25 1HD LYS 25 -1.629 -14.262 -3.713 184 2HD LYS 25 2HD LYS 25 -1.648 -14.539 -5.464 185 1HE LYS 25 1HE LYS 25 0.151 -15.926 -3.422 186 2HE LYS 25 2HE LYS 25 -1.282 -16.638 -4.182 187 1HZ LYS 25 2HZ LYS 25 -0.154 -16.367 -6.311 188 2HZ LYS 25 3HZ LYS 25 1.196 -15.813 -5.527 189 3HZ LYS 25 1HZ LYS 25 0.681 -17.354 -5.288 190 HA PRO 26 HA PRO 26 -2.325 -7.789 -6.726 191 1HB PRO 26 1HB PRO 26 -4.117 -6.889 -4.875 192 2HB PRO 26 2HB PRO 26 -4.605 -7.881 -6.276 193 1HG PRO 26 1HG PRO 26 -3.861 -8.925 -3.543 194 2HG PRO 26 2HG PRO 26 -5.441 -9.158 -4.363 195 1HD PRO 26 1HD PRO 26 -3.499 -10.990 -4.437 196 2HD PRO 26 2HD PRO 26 -4.270 -10.572 -5.996 197 H ILE 27 HN ILE 27 -0.108 -7.366 -6.215 198 HA ILE 27 HA ILE 27 0.442 -6.455 -3.449 199 HB ILE 27 HB ILE 27 2.146 -6.548 -5.969 200 1HG1 ILE 27 2HG12 ILE 27 3.621 -7.974 -4.663 201 2HG1 ILE 27 1HG11 ILE 27 2.599 -7.834 -3.234 202 1HG2 ILE 27 3HG23 ILE 27 2.762 -5.363 -3.238 203 2HG2 ILE 27 1HG21 ILE 27 3.987 -5.689 -4.477 204 3HG2 ILE 27 2HG22 ILE 27 2.748 -4.485 -4.782 205 1HD1 ILE 27 2HD12 ILE 27 1.797 -9.146 -5.861 206 2HD1 ILE 27 3HD13 ILE 27 2.388 -9.993 -4.415 207 3HD1 ILE 27 1HD11 ILE 27 0.846 -9.138 -4.347 208 H VAL 28 HN VAL 28 -0.907 -4.708 -3.144 209 HA VAL 28 HA VAL 28 -1.326 -2.746 -5.331 210 HB VAL 28 HB VAL 28 -2.683 -2.773 -2.613 211 1HG1 VAL 28 2HG12 VAL 28 -2.763 -0.683 -4.018 212 2HG1 VAL 28 1HG11 VAL 28 -3.468 -1.628 -5.340 213 3HG1 VAL 28 3HG13 VAL 28 -4.360 -1.434 -3.822 214 1HG2 VAL 28 1HG21 VAL 28 -3.548 -4.182 -5.177 215 2HG2 VAL 28 3HG23 VAL 28 -3.206 -4.938 -3.602 216 3HG2 VAL 28 2HG22 VAL 28 -4.601 -3.875 -3.780 217 H VAL 29 HN VAL 29 0.023 -1.009 -5.319 218 HA VAL 29 HA VAL 29 1.576 -0.412 -2.849 219 HB VAL 29 HB VAL 29 2.278 0.558 -5.616 220 1HG1 VAL 29 1HG21 VAL 29 3.357 1.459 -3.542 221 2HG1 VAL 29 3HG23 VAL 29 3.885 -0.192 -3.151 222 3HG1 VAL 29 2HG22 VAL 29 4.496 0.621 -4.603 223 1HG2 VAL 29 3HG13 VAL 29 3.013 -2.160 -4.492 224 2HG2 VAL 29 1HG11 VAL 29 2.028 -1.858 -5.945 225 3HG2 VAL 29 2HG12 VAL 29 3.722 -1.389 -5.934 226 H ASP 30 HN ASP 30 0.883 1.314 -1.748 227 HA ASP 30 HA ASP 30 -0.550 3.551 -3.070 228 1HB ASP 30 1HB ASP 30 -1.453 2.661 -1.017 229 2HB ASP 30 2HB ASP 30 0.072 2.899 -0.162 230 H PHE 31 HN PHE 31 0.872 4.841 -4.132 231 HA PHE 31 HA PHE 31 3.377 5.727 -2.774 232 1HB PHE 31 1HB PHE 31 2.371 6.058 -5.619 233 2HB PHE 31 2HB PHE 31 3.807 6.824 -4.970 234 HD1 PHE 31 HD2 PHE 31 5.837 5.542 -4.433 235 HD2 PHE 31 HD1 PHE 31 2.376 3.611 -6.137 236 HE1 PHE 31 HE2 PHE 31 7.277 3.751 -5.317 237 HE2 PHE 31 HE1 PHE 31 3.846 1.821 -7.046 238 HZ PHE 31 HZ PHE 31 6.291 1.848 -6.593 239 H THR 32 HN THR 32 3.348 7.756 -1.839 240 HA THR 32 HA THR 32 1.465 9.839 -2.562 241 HB THR 32 HB THR 32 -0.029 8.421 -1.246 242 HG1 THR 32 HG1 THR 32 -0.647 9.958 0.159 243 1HG2 THR 32 2HG22 THR 32 2.083 8.558 0.955 244 2HG2 THR 32 3HG23 THR 32 0.435 7.915 1.135 245 3HG2 THR 32 1HG21 THR 32 1.580 7.103 0.064 246 H ALA 33 HN ALA 33 1.798 11.433 -0.321 247 HA ALA 33 HA ALA 33 4.769 11.638 0.044 248 1HB ALA 33 3HB ALA 33 4.257 12.966 -1.936 249 2HB ALA 33 2HB ALA 33 3.022 13.871 -1.029 250 3HB ALA 33 1HB ALA 33 4.729 13.978 -0.562 251 H THR 34 HN THR 34 5.124 11.809 2.157 252 HA THR 34 HA THR 34 3.571 12.021 4.333 253 HB THR 34 HB THR 34 5.551 13.245 5.411 254 HG1 THR 34 HG1 THR 34 7.389 13.323 3.852 255 1HG2 THR 34 3HG23 THR 34 5.432 10.758 5.277 256 2HG2 THR 34 2HG22 THR 34 6.263 10.815 3.712 257 3HG2 THR 34 1HG21 THR 34 7.091 11.374 5.170 258 H TRP 35 HN TRP 35 5.186 14.868 3.104 259 HA TRP 35 HA TRP 35 3.895 16.834 4.612 260 1HB TRP 35 2HB TRP 35 4.602 18.335 2.577 261 2HB TRP 35 1HB TRP 35 5.793 17.566 3.609 262 HD1 TRP 35 HD1 TRP 35 7.455 15.837 2.592 263 HE1 TRP 35 HE1 TRP 35 8.099 15.178 0.244 264 HE3 TRP 35 HE3 TRP 35 3.457 17.859 0.086 265 HZ2 TRP 35 HZ2 TRP 35 7.038 15.485 -2.432 266 HZ3 TRP 35 HZ3 TRP 35 3.303 17.626 -2.375 267 HH2 TRP 35 HH2 TRP 35 5.093 16.462 -3.644 268 H CYS 36 HN CYS 36 2.599 15.241 1.694 269 HA CYS 36 HA CYS 36 0.551 17.360 1.368 270 1HB CYS 36 2HB CYS 36 1.375 16.371 -0.658 271 2HB CYS 36 1HB CYS 36 0.981 14.748 -0.075 272 H GLY 37 HN GLY 37 -0.131 17.133 3.585 273 1HA GLY 37 1HA GLY 37 -1.248 15.226 5.058 274 2HA GLY 37 2HA GLY 37 -2.110 16.753 4.797 275 HA PRO 38 HA PRO 38 -5.458 14.731 2.813 276 1HB PRO 38 2HB PRO 38 -5.757 15.688 0.220 277 2HB PRO 38 1HB PRO 38 -6.234 16.561 1.702 278 1HG PRO 38 2HG PRO 38 -3.673 16.846 0.129 279 2HG PRO 38 1HG PRO 38 -4.723 18.146 0.758 280 1HD PRO 38 1HD PRO 38 -2.500 17.429 2.075 281 2HD PRO 38 2HD PRO 38 -3.987 17.760 3.002 282 H CYS 39 HN CYS 39 -2.434 14.530 0.972 283 HA CYS 39 HA CYS 39 -3.316 12.293 -0.684 284 1HB CYS 39 1HB CYS 39 -0.455 13.011 0.015 285 2HB CYS 39 2HB CYS 39 -1.052 12.010 -1.294 286 H LYS 40 HN LYS 40 -1.938 12.815 2.550 287 HA LYS 40 HA LYS 40 -1.371 9.957 2.969 288 1HB LYS 40 1HB LYS 40 -1.325 12.351 4.857 289 2HB LYS 40 2HB LYS 40 -0.846 10.718 5.293 290 1HG LYS 40 1HG LYS 40 0.459 12.481 3.171 291 2HG LYS 40 2HG LYS 40 1.101 12.105 4.766 292 1HD LYS 40 2HD LYS 40 0.701 10.117 2.470 293 2HD LYS 40 1HD LYS 40 2.204 10.794 3.023 294 1HE LYS 40 2HE LYS 40 1.898 9.745 5.265 295 2HE LYS 40 1HE LYS 40 0.433 8.937 4.666 296 1HZ LYS 40 1HZ LYS 40 3.093 8.645 3.471 297 2HZ LYS 40 3HZ LYS 40 2.427 7.581 4.545 298 3HZ LYS 40 2HZ LYS 40 1.732 7.814 3.069 299 H MET 41 HN MET 41 -4.024 12.189 3.641 300 HA MET 41 HA MET 41 -5.419 10.568 5.526 301 1HB MET 41 1HB MET 41 -6.468 12.447 3.359 302 2HB MET 41 2HB MET 41 -7.492 11.705 4.592 303 1HG MET 41 1HG MET 41 -5.125 13.496 5.226 304 2HG MET 41 2HG MET 41 -6.811 14.013 5.168 305 1HE MET 41 1HE MET 41 -6.359 15.095 7.553 306 2HE MET 41 2HE MET 41 -5.813 14.158 8.964 307 3HE MET 41 3HE MET 41 -4.710 14.418 7.592 308 H ILE 42 HN ILE 42 -4.931 9.995 2.111 309 HA ILE 42 HA ILE 42 -7.092 8.130 1.767 310 HB ILE 42 HB ILE 42 -4.392 8.371 0.392 311 1HG1 ILE 42 1HG11 ILE 42 -7.067 9.330 -0.704 312 2HG1 ILE 42 2HG12 ILE 42 -6.082 10.386 0.314 313 1HG2 ILE 42 3HG23 ILE 42 -6.923 6.798 -0.262 314 2HG2 ILE 42 2HG22 ILE 42 -5.712 7.167 -1.496 315 3HG2 ILE 42 1HG21 ILE 42 -5.267 6.178 -0.101 316 1HD1 ILE 42 1HD11 ILE 42 -4.137 10.059 -1.176 317 2HD1 ILE 42 3HD13 ILE 42 -5.158 9.154 -2.301 318 3HD1 ILE 42 2HD12 ILE 42 -5.511 10.860 -1.946 319 H ALA 43 HN ALA 43 -3.868 7.898 3.238 320 HA ALA 43 HA ALA 43 -3.391 5.165 2.962 321 1HB ALA 43 2HB ALA 43 -1.722 6.781 3.765 322 2HB ALA 43 1HB ALA 43 -2.581 6.966 5.300 323 3HB ALA 43 3HB ALA 43 -1.872 5.404 4.879 324 HA PRO 44 HA PRO 44 -5.606 4.200 7.145 325 1HB PRO 44 2HB PRO 44 -7.643 5.898 7.976 326 2HB PRO 44 1HB PRO 44 -5.965 5.930 8.588 327 1HG PRO 44 1HG PRO 44 -7.161 7.615 6.382 328 2HG PRO 44 2HG PRO 44 -6.175 8.171 7.767 329 1HD PRO 44 1HD PRO 44 -4.982 7.801 5.414 330 2HD PRO 44 2HD PRO 44 -4.200 7.156 6.874 331 H LEU 45 HN LEU 45 -7.436 6.023 4.685 332 HA LEU 45 HA LEU 45 -9.765 4.348 4.665 333 1HB LEU 45 1HB LEU 45 -8.454 6.265 2.743 334 2HB LEU 45 2HB LEU 45 -9.593 5.123 2.063 335 HG LEU 45 HG LEU 45 -10.516 7.364 2.659 336 1HD1 LEU 45 1HD21 LEU 45 -11.987 5.385 2.446 337 2HD1 LEU 45 3HD23 LEU 45 -11.835 5.077 4.188 338 3HD1 LEU 45 2HD22 LEU 45 -12.602 6.565 3.614 339 1HD2 LEU 45 3HD13 LEU 45 -9.235 7.753 4.738 340 2HD2 LEU 45 2HD12 LEU 45 -10.978 7.978 4.957 341 3HD2 LEU 45 1HD11 LEU 45 -10.197 6.508 5.565 342 H PHE 46 HN PHE 46 -6.837 4.236 2.643 343 HA PHE 46 HA PHE 46 -7.319 1.847 1.217 344 1HB PHE 46 2HB PHE 46 -5.616 3.382 0.591 345 2HB PHE 46 1HB PHE 46 -4.866 3.335 2.155 346 HD1 PHE 46 HD1 PHE 46 -5.524 1.172 -0.851 347 HD2 PHE 46 HD2 PHE 46 -2.917 2.105 2.436 348 HE1 PHE 46 HE1 PHE 46 -3.677 -0.071 -1.950 349 HE2 PHE 46 HE2 PHE 46 -1.085 0.803 1.366 350 HZ PHE 46 HZ PHE 46 -1.409 -0.166 -0.895 351 H GLU 47 HN GLU 47 -5.678 2.282 4.419 352 HA GLU 47 HA GLU 47 -5.369 -0.555 4.927 353 1HB GLU 47 1HB GLU 47 -5.475 1.903 6.743 354 2HB GLU 47 2HB GLU 47 -4.972 0.295 7.266 355 1HG GLU 47 1HG GLU 47 -3.016 0.322 5.876 356 2HG GLU 47 2HG GLU 47 -3.545 1.758 5.000 357 H THR 48 HN THR 48 -8.152 1.606 5.489 358 HA THR 48 HA THR 48 -9.476 -0.137 7.309 359 HB THR 48 HB THR 48 -10.753 1.559 5.111 360 HG1 THR 48 HG1 THR 48 -9.322 2.657 6.664 361 1HG2 THR 48 3HG23 THR 48 -11.853 0.481 7.736 362 2HG2 THR 48 1HG21 THR 48 -12.676 1.626 6.659 363 3HG2 THR 48 2HG22 THR 48 -12.350 -0.025 6.106 364 H LEU 49 HN LEU 49 -9.132 -0.197 3.741 365 HA LEU 49 HA LEU 49 -10.906 -2.376 3.263 366 1HB LEU 49 2HB LEU 49 -8.357 -1.837 1.737 367 2HB LEU 49 1HB LEU 49 -9.809 -2.648 1.161 368 HG LEU 49 HG LEU 49 -9.548 0.278 1.762 369 1HD1 LEU 49 2HD22 LEU 49 -8.448 -0.419 -0.317 370 2HD1 LEU 49 3HD23 LEU 49 -9.941 -1.213 -0.856 371 3HD1 LEU 49 1HD21 LEU 49 -9.885 0.553 -0.658 372 1HD2 LEU 49 1HD11 LEU 49 -11.954 -1.291 0.728 373 2HD2 LEU 49 2HD12 LEU 49 -11.837 -0.512 2.325 374 3HD2 LEU 49 3HD13 LEU 49 -11.838 0.480 0.868 375 H SER 50 HN SER 50 -7.676 -2.369 4.750 376 HA SER 50 HA SER 50 -6.854 -5.022 4.236 377 1HB SER 50 2HB SER 50 -5.581 -3.275 5.603 378 2HB SER 50 1HB SER 50 -6.693 -3.594 6.941 379 HG SER 50 HG SER 50 -4.816 -4.896 7.087 380 H ASN 51 HN ASN 51 -9.245 -3.673 6.440 381 HA ASN 51 HA ASN 51 -9.820 -6.008 8.003 382 1HB ASN 51 2HB ASN 51 -10.694 -3.753 8.534 383 2HB ASN 51 1HB ASN 51 -11.738 -3.808 7.103 384 1HD2 ASN 51 1HD21 ASN 51 -14.156 -5.958 8.579 385 2HD2 ASN 51 2HD22 ASN 51 -13.586 -5.267 7.073 386 H ASP 52 HN ASP 52 -10.964 -4.960 4.797 387 HA ASP 52 HA ASP 52 -12.924 -7.118 4.516 388 1HB ASP 52 1HB ASP 52 -13.307 -4.919 3.464 389 2HB ASP 52 2HB ASP 52 -11.814 -5.083 2.520 390 H TYR 53 HN TYR 53 -9.675 -6.252 3.096 391 HA TYR 53 HA TYR 53 -9.629 -8.827 1.647 392 1HB TYR 53 2HB TYR 53 -7.807 -6.411 1.708 393 2HB TYR 53 1HB TYR 53 -7.567 -7.848 0.709 394 HD1 TYR 53 HD1 TYR 53 -9.332 -8.476 -1.024 395 HD2 TYR 53 HD2 TYR 53 -9.399 -4.725 1.050 396 HE1 TYR 53 HE1 TYR 53 -10.920 -7.582 -2.703 397 HE2 TYR 53 HE2 TYR 53 -10.968 -3.807 -0.632 398 HH TYR 53 HH TYR 53 -12.231 -4.259 -2.503 399 H ALA 54 HN ALA 54 -9.850 -9.669 3.911 400 HA ALA 54 HA ALA 54 -7.757 -9.703 5.788 401 1HB ALA 54 2HB ALA 54 -10.042 -10.502 6.228 402 2HB ALA 54 1HB ALA 54 -9.791 -11.876 5.126 403 3HB ALA 54 3HB ALA 54 -8.848 -11.753 6.628 404 H GLY 55 HN GLY 55 -8.189 -11.531 2.814 405 1HA GLY 55 1HA GLY 55 -6.280 -13.610 3.260 406 2HA GLY 55 2HA GLY 55 -6.962 -13.087 1.710 407 H LYS 56 HN LYS 56 -4.781 -13.715 1.047 408 HA LYS 56 HA LYS 56 -2.410 -12.311 1.762 409 1HB LYS 56 1HB LYS 56 -1.494 -13.576 -0.225 410 2HB LYS 56 2HB LYS 56 -2.237 -14.524 1.047 411 1HG LYS 56 1HG LYS 56 -2.729 -15.312 -1.241 412 2HG LYS 56 2HG LYS 56 -4.167 -15.046 -0.270 413 1HD LYS 56 2HD LYS 56 -4.623 -12.920 -1.466 414 2HD LYS 56 1HD LYS 56 -3.064 -13.049 -2.302 415 1HE LYS 56 1HE LYS 56 -4.800 -13.698 -3.802 416 2HE LYS 56 2HE LYS 56 -3.809 -15.115 -3.425 417 1HZ LYS 56 2HZ LYS 56 -6.431 -14.491 -2.266 418 2HZ LYS 56 1HZ LYS 56 -6.092 -15.605 -3.437 419 3HZ LYS 56 3HZ LYS 56 -5.510 -15.820 -1.905 420 H VAL 57 HN VAL 57 -4.256 -10.249 1.073 421 HA VAL 57 HA VAL 57 -3.319 -9.246 -1.567 422 HB VAL 57 HB VAL 57 -5.285 -8.075 0.443 423 1HG1 VAL 57 2HG22 VAL 57 -4.252 -6.398 -1.133 424 2HG1 VAL 57 3HG23 VAL 57 -4.885 -7.329 -2.491 425 3HG1 VAL 57 1HG21 VAL 57 -6.003 -6.604 -1.344 426 1HG2 VAL 57 2HG12 VAL 57 -5.712 -9.807 -2.031 427 2HG2 VAL 57 1HG11 VAL 57 -6.270 -10.117 -0.376 428 3HG2 VAL 57 3HG13 VAL 57 -6.997 -8.816 -1.331 429 H ILE 58 HN ILE 58 -1.569 -7.886 -1.680 430 HA ILE 58 HA ILE 58 -0.368 -7.213 0.997 431 HB ILE 58 HB ILE 58 0.950 -7.618 -1.687 432 1HG1 ILE 58 2HG12 ILE 58 1.965 -9.444 0.191 433 2HG1 ILE 58 1HG11 ILE 58 0.237 -9.449 0.530 434 1HG2 ILE 58 3HG23 ILE 58 2.097 -5.943 -0.271 435 2HG2 ILE 58 2HG22 ILE 58 2.122 -7.092 1.073 436 3HG2 ILE 58 1HG21 ILE 58 3.041 -7.428 -0.416 437 1HD1 ILE 58 1HD11 ILE 58 -0.147 -9.850 -1.958 438 2HD1 ILE 58 2HD12 ILE 58 1.618 -9.999 -2.123 439 3HD1 ILE 58 3HD13 ILE 58 0.725 -11.151 -1.118 440 H PHE 59 HN PHE 59 -0.978 -5.242 1.578 441 HA PHE 59 HA PHE 59 -1.307 -3.063 -0.439 442 1HB PHE 59 1HB PHE 59 -2.009 -3.335 2.465 443 2HB PHE 59 2HB PHE 59 -2.032 -1.809 1.628 444 HD1 PHE 59 HD2 PHE 59 -3.425 -5.298 0.979 445 HD2 PHE 59 HD1 PHE 59 -4.154 -1.059 1.242 446 HE1 PHE 59 HE2 PHE 59 -5.849 -5.673 0.763 447 HE2 PHE 59 HE1 PHE 59 -6.490 -1.417 0.607 448 HZ PHE 59 HZ PHE 59 -7.400 -3.742 0.509 449 H LEU 60 HN LEU 60 0.885 -2.637 -0.930 450 HA LEU 60 HA LEU 60 2.833 -2.138 1.252 451 1HB LEU 60 1HB LEU 60 3.012 -1.847 -1.773 452 2HB LEU 60 2HB LEU 60 4.357 -1.582 -0.644 453 HG LEU 60 HG LEU 60 2.912 -4.166 -1.289 454 1HD1 LEU 60 1HD21 LEU 60 4.630 -3.363 -2.918 455 2HD1 LEU 60 2HD22 LEU 60 5.834 -3.364 -1.609 456 3HD1 LEU 60 3HD23 LEU 60 5.094 -4.886 -2.134 457 1HD2 LEU 60 1HD11 LEU 60 5.067 -3.655 0.814 458 2HD2 LEU 60 2HD12 LEU 60 3.424 -4.286 1.092 459 3HD2 LEU 60 3HD13 LEU 60 4.606 -5.263 0.217 460 H LYS 61 HN LYS 61 3.631 -0.114 1.775 461 HA LYS 61 HA LYS 61 2.247 2.270 0.640 462 1HB LYS 61 1HB LYS 61 1.604 1.886 2.990 463 2HB LYS 61 2HB LYS 61 3.300 1.734 3.437 464 1HG LYS 61 1HG LYS 61 2.603 3.939 4.082 465 2HG LYS 61 2HG LYS 61 3.745 4.042 2.777 466 1HD LYS 61 1HD LYS 61 2.270 5.646 2.168 467 2HD LYS 61 2HD LYS 61 1.654 4.323 1.199 468 1HE LYS 61 2HE LYS 61 0.560 5.252 3.907 469 2HE LYS 61 1HE LYS 61 -0.119 5.644 2.319 470 1HZ LYS 61 2HZ LYS 61 -0.538 3.334 1.969 471 2HZ LYS 61 1HZ LYS 61 0.048 2.958 3.469 472 3HZ LYS 61 3HZ LYS 61 -1.304 3.882 3.315 473 H VAL 62 HN VAL 62 3.670 3.460 -0.547 474 HA VAL 62 HA VAL 62 6.593 3.318 0.095 475 HB VAL 62 HB VAL 62 5.361 3.065 -2.682 476 1HG1 VAL 62 3HG13 VAL 62 7.657 4.118 -2.619 477 2HG1 VAL 62 1HG11 VAL 62 8.225 2.710 -1.690 478 3HG1 VAL 62 2HG12 VAL 62 7.661 2.506 -3.350 479 1HG2 VAL 62 2HG22 VAL 62 6.675 0.934 -0.935 480 2HG2 VAL 62 1HG21 VAL 62 4.972 0.966 -1.440 481 3HG2 VAL 62 3HG23 VAL 62 6.241 0.763 -2.649 482 H ASP 63 HN ASP 63 5.832 5.313 1.211 483 HA ASP 63 HA ASP 63 4.804 7.525 -0.215 484 1HB ASP 63 1HB ASP 63 4.874 7.226 2.277 485 2HB ASP 63 2HB ASP 63 6.609 7.598 2.239 486 H VAL 64 HN VAL 64 5.755 8.825 -1.699 487 HA VAL 64 HA VAL 64 8.352 8.252 -2.716 488 HB VAL 64 HB VAL 64 7.961 9.968 -4.292 489 1HG1 VAL 64 3HG13 VAL 64 6.391 7.962 -4.381 490 2HG1 VAL 64 1HG11 VAL 64 5.142 8.998 -3.674 491 3HG1 VAL 64 2HG12 VAL 64 5.855 9.419 -5.236 492 1HG2 VAL 64 3HG23 VAL 64 5.884 11.158 -2.420 493 2HG2 VAL 64 2HG22 VAL 64 7.403 11.895 -2.961 494 3HG2 VAL 64 1HG21 VAL 64 6.096 11.626 -4.117 495 H ASP 65 HN ASP 65 7.291 10.481 -0.194 496 HA ASP 65 HA ASP 65 9.574 12.255 -0.323 497 1HB ASP 65 1HB ASP 65 7.373 12.717 0.834 498 2HB ASP 65 2HB ASP 65 7.882 11.571 2.091 499 H ALA 66 HN ALA 66 8.938 9.033 0.983 500 HA ALA 66 HA ALA 66 11.472 9.023 2.562 501 1HB ALA 66 3HB ALA 66 9.052 7.166 2.574 502 2HB ALA 66 2HB ALA 66 10.513 6.977 3.566 503 3HB ALA 66 1HB ALA 66 9.461 8.389 3.789 504 H VAL 67 HN VAL 67 9.624 6.653 0.552 505 HA VAL 67 HA VAL 67 12.203 5.362 -0.176 506 HB VAL 67 HB VAL 67 9.365 4.453 -0.731 507 1HG1 VAL 67 1HG21 VAL 67 11.192 3.423 -2.132 508 2HG1 VAL 67 3HG23 VAL 67 12.054 2.990 -0.657 509 3HG1 VAL 67 2HG22 VAL 67 10.487 2.241 -1.019 510 1HG2 VAL 67 1HG11 VAL 67 11.256 3.722 1.563 511 2HG2 VAL 67 2HG12 VAL 67 9.683 4.532 1.724 512 3HG2 VAL 67 3HG13 VAL 67 9.762 2.856 1.168 513 H ALA 68 HN ALA 68 12.461 7.616 -1.168 514 HA ALA 68 HA ALA 68 11.258 8.418 -3.567 515 1HB ALA 68 3HB ALA 68 12.807 9.807 -2.254 516 2HB ALA 68 1HB ALA 68 14.163 8.740 -2.689 517 3HB ALA 68 2HB ALA 68 13.340 9.692 -3.943 518 H ALA 69 HN ALA 69 13.991 6.171 -3.083 519 HA ALA 69 HA ALA 69 14.847 5.781 -5.698 520 1HB ALA 69 2HB ALA 69 14.611 3.722 -3.459 521 2HB ALA 69 3HB ALA 69 15.621 3.565 -4.913 522 3HB ALA 69 1HB ALA 69 15.967 4.839 -3.729 523 H VAL 70 HN VAL 70 12.243 3.923 -4.010 524 HA VAL 70 HA VAL 70 11.649 2.331 -6.356 525 HB VAL 70 HB VAL 70 9.926 2.896 -3.912 526 1HG1 VAL 70 3HG13 VAL 70 9.800 0.691 -6.033 527 2HG1 VAL 70 1HG11 VAL 70 8.792 0.777 -4.572 528 3HG1 VAL 70 2HG12 VAL 70 8.615 1.987 -5.845 529 1HG2 VAL 70 1HG21 VAL 70 12.129 1.793 -3.386 530 2HG2 VAL 70 2HG22 VAL 70 10.733 0.728 -3.114 531 3HG2 VAL 70 3HG23 VAL 70 11.737 0.534 -4.573 532 H ALA 71 HN ALA 71 10.265 5.274 -4.860 533 HA ALA 71 HA ALA 71 8.082 5.636 -6.602 534 1HB ALA 71 3HB ALA 71 8.530 6.984 -4.587 535 2HB ALA 71 1HB ALA 71 9.836 7.839 -5.435 536 3HB ALA 71 2HB ALA 71 8.171 7.990 -6.012 537 H GLU 72 HN GLU 72 11.444 6.901 -7.105 538 HA GLU 72 HA GLU 72 10.753 7.966 -9.703 539 1HB GLU 72 2HB GLU 72 13.093 8.375 -10.019 540 2HB GLU 72 1HB GLU 72 12.598 8.867 -8.396 541 1HG GLU 72 2HG GLU 72 13.585 6.728 -7.519 542 2HG GLU 72 1HG GLU 72 14.210 6.382 -9.139 543 H ALA 73 HN ALA 73 12.304 4.852 -8.655 544 HA ALA 73 HA ALA 73 12.805 3.845 -11.243 545 1HB ALA 73 1HB ALA 73 13.617 2.799 -9.155 546 2HB ALA 73 3HB ALA 73 11.954 2.320 -8.742 547 3HB ALA 73 2HB ALA 73 12.749 1.630 -10.171 548 H ALA 74 HN ALA 74 9.820 3.757 -9.307 549 HA ALA 74 HA ALA 74 8.271 2.213 -11.221 550 1HB ALA 74 2HB ALA 74 7.901 2.106 -8.798 551 2HB ALA 74 3HB ALA 74 7.442 3.821 -8.780 552 3HB ALA 74 1HB ALA 74 6.449 2.637 -9.657 553 H GLY 75 HN GLY 75 9.393 5.424 -11.330 554 1HA GLY 75 1HA GLY 75 8.869 7.191 -12.633 555 2HA GLY 75 2HA GLY 75 7.788 6.116 -13.541 556 H ILE 76 HN ILE 76 7.582 7.109 -10.063 557 HA ILE 76 HA ILE 76 4.772 7.801 -10.446 558 HB ILE 76 HB ILE 76 6.618 8.333 -8.078 559 1HG1 ILE 76 1HG11 ILE 76 6.405 5.929 -8.620 560 2HG1 ILE 76 2HG12 ILE 76 5.712 6.377 -7.062 561 1HG2 ILE 76 3HG23 ILE 76 3.585 8.502 -8.409 562 2HG2 ILE 76 2HG22 ILE 76 4.393 8.420 -6.832 563 3HG2 ILE 76 1HG21 ILE 76 4.703 9.785 -7.910 564 1HD1 ILE 76 2HD12 ILE 76 4.119 5.872 -9.625 565 2HD1 ILE 76 3HD13 ILE 76 4.376 4.712 -8.325 566 3HD1 ILE 76 1HD11 ILE 76 3.450 6.184 -8.004 567 H THR 77 HN THR 77 3.904 9.713 -10.859 568 HA THR 77 HA THR 77 5.563 12.206 -10.784 569 HB THR 77 HB THR 77 4.330 12.843 -12.882 570 HG1 THR 77 HG1 THR 77 3.496 10.917 -14.034 571 1HG2 THR 77 3HG23 THR 77 6.659 11.914 -12.944 572 2HG2 THR 77 1HG21 THR 77 5.983 10.288 -13.170 573 3HG2 THR 77 2HG22 THR 77 5.724 11.535 -14.403 574 H ALA 78 HN ALA 78 2.235 11.530 -11.718 575 HA ALA 78 HA ALA 78 1.174 13.674 -10.062 576 1HB ALA 78 1HB ALA 78 0.259 13.118 -12.282 577 2HB ALA 78 2HB ALA 78 -0.227 11.512 -11.696 578 3HB ALA 78 3HB ALA 78 -0.984 12.974 -11.025 579 H MET 79 HN MET 79 2.297 12.471 -8.109 580 HA MET 79 HA MET 79 0.915 10.261 -6.968 581 1HB MET 79 1HB MET 79 2.266 10.587 -5.031 582 2HB MET 79 2HB MET 79 3.232 11.024 -6.432 583 1HG MET 79 2HG MET 79 3.726 12.721 -4.942 584 2HG MET 79 1HG MET 79 2.465 13.460 -5.929 585 1HE MET 79 3HE MET 79 2.882 15.150 -3.861 586 2HE MET 79 1HE MET 79 1.247 15.215 -4.570 587 3HE MET 79 2HE MET 79 1.457 15.256 -2.805 588 HA PRO 80 HA PRO 80 0.227 9.724 -4.609 589 1HB PRO 80 2HB PRO 80 -2.111 8.645 -3.727 590 2HB PRO 80 1HB PRO 80 -1.272 9.960 -2.853 591 1HG PRO 80 1HG PRO 80 -3.557 10.222 -4.814 592 2HG PRO 80 2HG PRO 80 -3.399 10.951 -3.188 593 1HD PRO 80 1HD PRO 80 -2.765 12.329 -5.491 594 2HD PRO 80 2HD PRO 80 -1.865 12.577 -3.975 595 H THR 81 HN THR 81 -0.120 7.465 -5.258 596 HA THR 81 HA THR 81 -1.604 7.027 -7.753 597 HB THR 81 HB THR 81 1.418 7.223 -7.516 598 HG1 THR 81 HG1 THR 81 -0.329 8.907 -8.375 599 1HG2 THR 81 2HG22 THR 81 -0.142 5.909 -9.783 600 2HG2 THR 81 3HG23 THR 81 1.570 6.360 -9.833 601 3HG2 THR 81 1HG21 THR 81 1.022 5.125 -8.683 602 H PHE 82 HN PHE 82 -2.128 4.962 -8.023 603 HA PHE 82 HA PHE 82 -1.298 3.023 -5.921 604 1HB PHE 82 2HB PHE 82 -3.928 3.479 -7.329 605 2HB PHE 82 1HB PHE 82 -3.587 2.041 -6.384 606 HD1 PHE 82 HD2 PHE 82 -3.075 2.268 -3.908 607 HD2 PHE 82 HD1 PHE 82 -4.284 5.674 -6.272 608 HE1 PHE 82 HE2 PHE 82 -3.302 3.635 -1.853 609 HE2 PHE 82 HE1 PHE 82 -4.370 7.059 -4.228 610 HZ PHE 82 HZ PHE 82 -3.770 6.053 -2.012 611 H HIS 83 HN HIS 83 -0.112 1.342 -6.758 612 HA HIS 83 HA HIS 83 -0.422 0.638 -9.676 613 1HB HIS 83 1HB HIS 83 1.978 0.527 -7.823 614 2HB HIS 83 2HB HIS 83 1.891 -0.317 -9.356 615 HD2 HIS 83 HD2 HIS 83 0.369 3.048 -10.032 616 HE1 HIS 83 HE1 HIS 83 4.498 3.439 -10.810 617 HE2 HIS 83 HE2 HIS 83 2.224 4.518 -11.156 618 H VAL 84 HN VAL 84 -0.555 -1.646 -10.142 619 HA VAL 84 HA VAL 84 -0.773 -3.414 -7.723 620 HB VAL 84 HB VAL 84 -2.236 -3.841 -10.344 621 1HG1 VAL 84 1HG21 VAL 84 -2.458 -5.032 -7.532 622 2HG1 VAL 84 2HG22 VAL 84 -3.463 -5.454 -8.924 623 3HG1 VAL 84 3HG23 VAL 84 -1.743 -5.840 -8.945 624 1HG2 VAL 84 3HG13 VAL 84 -3.203 -2.569 -7.733 625 2HG2 VAL 84 2HG12 VAL 84 -3.170 -1.797 -9.334 626 3HG2 VAL 84 1HG11 VAL 84 -4.269 -3.146 -9.027 627 H TYR 85 HN TYR 85 1.150 -4.507 -7.649 628 HA TYR 85 HA TYR 85 2.551 -5.159 -10.194 629 1HB TYR 85 2HB TYR 85 3.340 -4.899 -7.327 630 2HB TYR 85 1HB TYR 85 4.256 -5.988 -8.345 631 HD1 TYR 85 HD1 TYR 85 2.871 -2.468 -8.376 632 HD2 TYR 85 HD2 TYR 85 6.190 -5.071 -9.270 633 HE1 TYR 85 HE1 TYR 85 4.263 -0.507 -9.005 634 HE2 TYR 85 HE2 TYR 85 7.523 -3.127 -9.999 635 HH TYR 85 HH TYR 85 7.612 -0.827 -10.185 636 H LYS 86 HN LYS 86 1.337 -6.873 -11.036 637 HA LYS 86 HA LYS 86 1.242 -9.431 -9.467 638 1HB LYS 86 2HB LYS 86 -0.131 -8.438 -11.975 639 2HB LYS 86 1HB LYS 86 0.101 -10.170 -11.708 640 1HG LYS 86 2HG LYS 86 -1.147 -10.187 -9.715 641 2HG LYS 86 1HG LYS 86 -1.172 -8.420 -9.580 642 1HD LYS 86 1HD LYS 86 -2.728 -8.154 -11.317 643 2HD LYS 86 2HD LYS 86 -2.367 -9.723 -12.044 644 1HE LYS 86 2HE LYS 86 -4.620 -9.468 -10.837 645 2HE LYS 86 1HE LYS 86 -3.669 -10.919 -10.491 646 1HZ LYS 86 1HZ LYS 86 -3.549 -8.546 -8.793 647 2HZ LYS 86 3HZ LYS 86 -4.633 -9.776 -8.559 648 3HZ LYS 86 2HZ LYS 86 -3.023 -10.082 -8.473 649 H ASP 87 HN ASP 87 2.296 -11.294 -10.443 650 HA ASP 87 HA ASP 87 3.894 -12.480 -11.413 651 1HB ASP 87 2HB ASP 87 4.229 -10.197 -13.430 652 2HB ASP 87 1HB ASP 87 4.957 -11.798 -13.513 653 H GLY 88 HN GLY 88 4.884 -9.155 -11.596 654 1HA GLY 88 1HA GLY 88 6.436 -8.773 -9.368 655 2HA GLY 88 2HA GLY 88 7.572 -9.452 -10.557 656 H VAL 89 HN VAL 89 4.741 -7.421 -11.574 657 HA VAL 89 HA VAL 89 6.346 -5.009 -11.755 658 HB VAL 89 HB VAL 89 7.278 -6.300 -13.613 659 1HG1 VAL 89 2HG12 VAL 89 5.364 -7.822 -14.081 660 2HG1 VAL 89 1HG11 VAL 89 4.458 -6.457 -14.766 661 3HG1 VAL 89 3HG13 VAL 89 5.957 -7.003 -15.531 662 1HG2 VAL 89 1HG21 VAL 89 6.989 -3.844 -13.838 663 2HG2 VAL 89 2HG22 VAL 89 6.961 -4.705 -15.386 664 3HG2 VAL 89 3HG23 VAL 89 5.446 -4.119 -14.682 665 H LYS 90 HN LYS 90 5.037 -3.288 -11.894 666 HA LYS 90 HA LYS 90 2.436 -2.949 -11.458 667 1HB LYS 90 2HB LYS 90 4.165 -1.191 -11.827 668 2HB LYS 90 1HB LYS 90 4.043 -1.471 -13.564 669 1HG LYS 90 1HG LYS 90 1.559 -0.794 -13.373 670 2HG LYS 90 2HG LYS 90 1.889 -0.408 -11.684 671 1HD LYS 90 1HD LYS 90 2.074 1.636 -12.904 672 2HD LYS 90 2HD LYS 90 3.732 1.167 -12.500 673 1HE LYS 90 1HE LYS 90 4.140 0.413 -14.770 674 2HE LYS 90 2HE LYS 90 2.409 0.454 -15.151 675 1HZ LYS 90 3HZ LYS 90 4.069 2.798 -14.544 676 2HZ LYS 90 1HZ LYS 90 3.583 2.321 -16.046 677 3HZ LYS 90 2HZ LYS 90 2.466 2.813 -14.942 678 H ALA 91 HN ALA 91 1.020 -4.479 -12.269 679 HA ALA 91 HA ALA 91 0.672 -5.013 -15.122 680 1HB ALA 91 2HB ALA 91 -0.901 -5.850 -12.640 681 2HB ALA 91 3HB ALA 91 -1.135 -6.491 -14.278 682 3HB ALA 91 1HB ALA 91 0.404 -6.769 -13.429 683 H ASP 92 HN ASP 92 -0.856 -3.127 -12.557 684 HA ASP 92 HA ASP 92 -2.521 -1.700 -14.526 685 1HB ASP 92 2HB ASP 92 -3.836 -3.600 -13.417 686 2HB ASP 92 1HB ASP 92 -3.697 -2.693 -11.904 687 H ASP 93 HN ASP 93 -3.393 0.390 -13.356 688 HA ASP 93 HA ASP 93 -2.102 1.211 -11.018 689 1HB ASP 93 2HB ASP 93 -0.709 3.076 -12.006 690 2HB ASP 93 1HB ASP 93 -0.080 1.457 -12.288 691 H LEU 94 HN LEU 94 -2.444 3.541 -10.637 692 HA LEU 94 HA LEU 94 -4.663 4.885 -12.028 693 1HB LEU 94 1HB LEU 94 -5.872 3.214 -10.797 694 2HB LEU 94 2HB LEU 94 -4.772 3.354 -9.436 695 HG LEU 94 HG LEU 94 -5.774 5.659 -8.951 696 1HD1 LEU 94 1HD11 LEU 94 -7.679 4.689 -11.127 697 2HD1 LEU 94 3HD13 LEU 94 -7.988 6.087 -10.074 698 3HD1 LEU 94 2HD12 LEU 94 -6.649 6.124 -11.227 699 1HD2 LEU 94 3HD23 LEU 94 -7.629 3.247 -8.965 700 2HD2 LEU 94 1HD21 LEU 94 -6.426 3.648 -7.722 701 3HD2 LEU 94 2HD22 LEU 94 -7.815 4.700 -7.962 702 H VAL 95 HN VAL 95 -4.880 7.100 -11.173 703 HA VAL 95 HA VAL 95 -2.726 7.972 -9.333 704 HB VAL 95 HB VAL 95 -2.459 9.968 -10.707 705 1HG1 VAL 95 2HG22 VAL 95 -0.990 7.999 -11.082 706 2HG1 VAL 95 3HG23 VAL 95 -2.072 7.447 -12.376 707 3HG1 VAL 95 1HG21 VAL 95 -1.206 8.984 -12.537 708 1HG2 VAL 95 3HG13 VAL 95 -4.692 10.071 -11.787 709 2HG2 VAL 95 1HG11 VAL 95 -3.384 10.120 -12.974 710 3HG2 VAL 95 2HG12 VAL 95 -4.301 8.622 -12.739 711 H GLY 96 HN GLY 96 -3.158 9.976 -8.237 712 1HA GLY 96 1HA GLY 96 -4.447 11.657 -7.326 713 2HA GLY 96 2HA GLY 96 -5.806 11.201 -8.374 714 H ALA 97 HN ALA 97 -6.588 11.861 -5.978 715 HA ALA 97 HA ALA 97 -6.551 9.716 -4.006 716 1HB ALA 97 3HB ALA 97 -6.638 12.184 -3.468 717 2HB ALA 97 2HB ALA 97 -8.265 12.239 -4.169 718 3HB ALA 97 1HB ALA 97 -7.955 11.255 -2.722 719 H SER 98 HN SER 98 -7.472 8.717 -6.440 720 HA SER 98 HA SER 98 -10.344 8.688 -6.681 721 1HB SER 98 1HB SER 98 -8.198 6.935 -7.928 722 2HB SER 98 2HB SER 98 -9.818 7.277 -8.583 723 HG SER 98 HG SER 98 -7.570 8.637 -9.014 724 H GLN 99 HN GLN 99 -10.181 8.016 -4.202 725 HA GLN 99 HA GLN 99 -9.540 5.488 -3.239 726 1HB GLN 99 2HB GLN 99 -11.740 7.444 -2.516 727 2HB GLN 99 1HB GLN 99 -11.368 6.019 -1.531 728 1HG GLN 99 1HG GLN 99 -9.328 6.807 -0.829 729 2HG GLN 99 2HG GLN 99 -9.023 7.766 -2.274 730 1HE2 GLN 99 2HE22 GLN 99 -10.694 10.679 -1.104 731 2HE2 GLN 99 1HE21 GLN 99 -10.152 9.850 -2.562 732 H ASP 100 HN ASP 100 -12.528 6.438 -4.948 733 HA ASP 100 HA ASP 100 -14.012 4.025 -4.527 734 1HB ASP 100 2HB ASP 100 -15.338 4.804 -6.419 735 2HB ASP 100 1HB ASP 100 -15.007 6.155 -5.330 736 H LYS 101 HN LYS 101 -11.784 5.125 -7.103 737 HA LYS 101 HA LYS 101 -12.014 2.634 -8.559 738 1HB LYS 101 1HB LYS 101 -11.574 4.970 -9.439 739 2HB LYS 101 2HB LYS 101 -9.891 4.780 -8.946 740 1HG LYS 101 1HG LYS 101 -9.555 2.974 -10.477 741 2HG LYS 101 2HG LYS 101 -11.273 2.680 -10.681 742 1HD LYS 101 1HD LYS 101 -9.809 5.167 -11.686 743 2HD LYS 101 2HD LYS 101 -10.245 3.760 -12.661 744 1HE LYS 101 1HE LYS 101 -12.130 5.797 -11.388 745 2HE LYS 101 2HE LYS 101 -11.835 5.494 -13.097 746 1HZ LYS 101 1HZ LYS 101 -12.801 3.317 -12.813 747 2HZ LYS 101 2HZ LYS 101 -13.112 3.635 -11.224 748 3HZ LYS 101 3HZ LYS 101 -13.860 4.511 -12.397 749 H LEU 102 HN LEU 102 -9.934 3.891 -6.003 750 HA LEU 102 HA LEU 102 -7.870 1.956 -6.085 751 1HB LEU 102 2HB LEU 102 -8.272 4.071 -4.504 752 2HB LEU 102 1HB LEU 102 -9.030 2.882 -3.443 753 HG LEU 102 HG LEU 102 -6.182 3.106 -4.413 754 1HD1 LEU 102 1HD11 LEU 102 -7.520 3.108 -1.663 755 2HD1 LEU 102 2HD12 LEU 102 -5.784 3.259 -1.940 756 3HD1 LEU 102 3HD13 LEU 102 -6.875 4.523 -2.524 757 1HD2 LEU 102 1HD21 LEU 102 -7.320 0.790 -2.800 758 2HD2 LEU 102 2HD22 LEU 102 -6.670 0.697 -4.461 759 3HD2 LEU 102 3HD23 LEU 102 -5.600 1.113 -3.134 760 H LYS 103 HN LYS 103 -11.021 1.975 -4.276 761 HA LYS 103 HA LYS 103 -10.927 -0.653 -3.259 762 1HB LYS 103 1HB LYS 103 -13.286 1.036 -4.205 763 2HB LYS 103 2HB LYS 103 -13.431 -0.466 -3.300 764 1HG LYS 103 2HG LYS 103 -12.331 0.451 -1.381 765 2HG LYS 103 1HG LYS 103 -11.867 1.917 -2.256 766 1HD LYS 103 2HD LYS 103 -14.301 2.462 -2.582 767 2HD LYS 103 1HD LYS 103 -14.724 1.027 -1.638 768 1HE LYS 103 2HE LYS 103 -14.865 3.036 -0.251 769 2HE LYS 103 1HE LYS 103 -13.571 1.990 0.347 770 1HZ LYS 103 2HZ LYS 103 -13.209 4.343 -1.379 771 2HZ LYS 103 3HZ LYS 103 -12.929 4.293 0.244 772 3HZ LYS 103 1HZ LYS 103 -12.002 3.396 -0.781 773 H ALA 104 HN ALA 104 -12.263 0.560 -6.377 774 HA ALA 104 HA ALA 104 -13.088 -1.904 -7.429 775 1HB ALA 104 3HB ALA 104 -13.524 0.349 -8.445 776 2HB ALA 104 1HB ALA 104 -11.848 0.361 -9.046 777 3HB ALA 104 2HB ALA 104 -12.978 -0.876 -9.607 778 H LEU 105 HN LEU 105 -9.785 -0.403 -7.658 779 HA LEU 105 HA LEU 105 -8.609 -2.458 -9.217 780 1HB LEU 105 1HB LEU 105 -7.410 -0.673 -7.052 781 2HB LEU 105 2HB LEU 105 -6.467 -1.861 -7.924 782 HG LEU 105 HG LEU 105 -7.883 0.461 -9.275 783 1HD1 LEU 105 1HD21 LEU 105 -4.997 0.008 -8.358 784 2HD1 LEU 105 3HD23 LEU 105 -5.522 1.308 -9.431 785 3HD1 LEU 105 2HD22 LEU 105 -6.118 1.248 -7.756 786 1HD2 LEU 105 1HD11 LEU 105 -5.761 -1.513 -10.244 787 2HD2 LEU 105 3HD13 LEU 105 -7.443 -1.432 -10.824 788 3HD2 LEU 105 2HD12 LEU 105 -6.331 -0.092 -11.136 789 H VAL 106 HN VAL 106 -8.727 -2.126 -5.596 790 HA VAL 106 HA VAL 106 -7.336 -4.573 -5.212 791 HB VAL 106 HB VAL 106 -9.418 -3.561 -3.227 792 1HG1 VAL 106 2HG22 VAL 106 -8.296 -5.802 -2.866 793 2HG1 VAL 106 3HG23 VAL 106 -6.726 -4.995 -2.967 794 3HG1 VAL 106 1HG21 VAL 106 -7.831 -4.612 -1.642 795 1HG2 VAL 106 1HG11 VAL 106 -6.594 -2.537 -3.738 796 2HG2 VAL 106 2HG12 VAL 106 -8.094 -1.599 -3.608 797 3HG2 VAL 106 3HG13 VAL 106 -7.421 -2.358 -2.176 798 H ALA 107 HN ALA 107 -10.843 -3.961 -5.416 799 HA ALA 107 HA ALA 107 -11.735 -6.612 -4.987 800 1HB ALA 107 3HB ALA 107 -13.235 -4.653 -5.085 801 2HB ALA 107 1HB ALA 107 -12.930 -4.482 -6.824 802 3HB ALA 107 2HB ALA 107 -13.764 -5.922 -6.206 803 H LYS 108 HN LYS 108 -11.016 -5.005 -8.117 804 HA LYS 108 HA LYS 108 -11.457 -7.205 -9.836 805 1HB LYS 108 2HB LYS 108 -11.253 -5.011 -10.737 806 2HB LYS 108 1HB LYS 108 -9.721 -4.703 -9.916 807 1HG LYS 108 1HG LYS 108 -8.522 -6.249 -11.378 808 2HG LYS 108 2HG LYS 108 -9.997 -6.632 -12.254 809 1HD LYS 108 2HD LYS 108 -8.722 -3.861 -12.006 810 2HD LYS 108 1HD LYS 108 -8.495 -4.973 -13.363 811 1HE LYS 108 2HE LYS 108 -10.969 -4.898 -13.803 812 2HE LYS 108 1HE LYS 108 -11.126 -3.667 -12.534 813 1HZ LYS 108 2HZ LYS 108 -9.627 -2.287 -13.769 814 2HZ LYS 108 3HZ LYS 108 -9.495 -3.421 -14.957 815 3HZ LYS 108 1HZ LYS 108 -10.943 -2.686 -14.678 816 H HIS 109 HN HIS 109 -8.367 -6.077 -8.424 817 HA HIS 109 HA HIS 109 -6.954 -8.277 -9.682 818 1HB HIS 109 1HB HIS 109 -6.134 -6.075 -7.760 819 2HB HIS 109 2HB HIS 109 -5.020 -7.275 -8.422 820 HD2 HIS 109 HD2 HIS 109 -6.694 -3.998 -9.549 821 HE1 HIS 109 HE1 HIS 109 -5.076 -5.782 -13.006 822 HE2 HIS 109 HE2 HIS 109 -6.140 -3.676 -12.080 823 H ALA 110 HN ALA 110 -8.427 -7.890 -6.456 824 HA ALA 110 HA ALA 110 -7.066 -10.318 -5.472 825 1HB ALA 110 3HB ALA 110 -7.668 -8.382 -3.977 826 2HB ALA 110 1HB ALA 110 -9.381 -8.738 -4.287 827 3HB ALA 110 2HB ALA 110 -8.361 -9.932 -3.461 828 H ALA 111 HN ALA 111 -8.414 -10.779 -7.936 829 HA ALA 111 HA ALA 111 -11.018 -11.871 -7.597 830 1HB ALA 111 1HB ALA 111 -10.053 -11.288 -9.794 831 2HB ALA 111 3HB ALA 111 -8.828 -12.565 -9.609 832 3HB ALA 111 2HB ALA 111 -10.547 -12.990 -9.759 833 H ALA 112 HN ALA 112 -7.803 -13.234 -6.925 834 HA ALA 112 HA ALA 112 -8.775 -15.426 -5.453 835 1HB ALA 112 2HB ALA 112 -7.520 -16.040 -8.178 836 2HB ALA 112 3HB ALA 112 -7.821 -17.223 -6.887 837 3HB ALA 112 1HB ALA 112 -9.188 -16.437 -7.698 No H/Q in entry = 837 Start of MODEL 14 1 1H GLY 1 2HN GLY 1 -2.016 -5.289 8.192 2 2H GLY 1 1HN GLY 1 -3.549 -5.265 8.853 3 3H GLY 1 3HN GLY 1 -2.179 -5.518 9.787 4 1HA GLY 1 1HA GLY 1 -3.158 -7.622 9.559 5 2HA GLY 1 2HA GLY 1 -3.342 -7.343 7.816 6 H GLY 2 HN GLY 2 -2.047 -9.360 7.473 7 1HA GLY 2 1HA GLY 2 0.740 -9.450 8.304 8 2HA GLY 2 2HA GLY 2 -0.070 -10.518 7.143 9 H SER 3 HN SER 3 -0.161 -9.886 4.888 10 HA SER 3 HA SER 3 1.846 -8.039 3.961 11 1HB SER 3 1HB SER 3 -0.417 -9.349 2.394 12 2HB SER 3 2HB SER 3 1.172 -8.816 1.817 13 HG SER 3 HG SER 3 1.025 -11.119 2.233 14 H VAL 4 HN VAL 4 0.298 -6.538 5.588 15 HA VAL 4 HA VAL 4 -0.967 -4.501 3.949 16 HB VAL 4 HB VAL 4 -2.456 -6.096 6.104 17 1HG1 VAL 4 1HG21 VAL 4 -2.939 -3.400 4.857 18 2HG1 VAL 4 3HG23 VAL 4 -4.304 -4.386 5.441 19 3HG1 VAL 4 2HG22 VAL 4 -3.048 -3.865 6.558 20 1HG2 VAL 4 3HG13 VAL 4 -3.187 -5.673 3.213 21 2HG2 VAL 4 1HG11 VAL 4 -2.685 -7.212 3.950 22 3HG2 VAL 4 2HG12 VAL 4 -4.193 -6.462 4.441 23 H ILE 5 HN ILE 5 0.838 -3.242 4.774 24 HA ILE 5 HA ILE 5 0.612 -2.460 7.600 25 HB ILE 5 HB ILE 5 3.162 -2.619 7.776 26 1HG1 ILE 5 1HG11 ILE 5 2.817 -4.631 5.504 27 2HG1 ILE 5 2HG12 ILE 5 3.551 -3.039 5.321 28 1HG2 ILE 5 2HG22 ILE 5 1.518 -4.147 8.939 29 2HG2 ILE 5 1HG21 ILE 5 1.736 -5.308 7.614 30 3HG2 ILE 5 3HG23 ILE 5 3.103 -4.864 8.649 31 1HD1 ILE 5 1HD11 ILE 5 5.272 -3.711 7.058 32 2HD1 ILE 5 3HD13 ILE 5 4.601 -5.358 6.986 33 3HD1 ILE 5 2HD12 ILE 5 5.320 -4.635 5.542 34 H VAL 6 HN VAL 6 1.451 -0.473 8.024 35 HA VAL 6 HA VAL 6 1.489 1.395 5.783 36 HB VAL 6 HB VAL 6 0.197 1.762 7.822 37 1HG1 VAL 6 3HG23 VAL 6 1.765 0.828 9.534 38 2HG1 VAL 6 2HG22 VAL 6 2.774 2.275 9.356 39 3HG1 VAL 6 1HG21 VAL 6 1.111 2.419 9.926 40 1HG2 VAL 6 3HG13 VAL 6 0.775 3.668 6.450 41 2HG2 VAL 6 1HG11 VAL 6 0.719 4.116 8.159 42 3HG2 VAL 6 2HG12 VAL 6 2.284 3.917 7.356 43 H ILE 7 HN ILE 7 3.466 -0.085 5.195 44 HA ILE 7 HA ILE 7 6.003 0.692 6.444 45 HB ILE 7 HB ILE 7 5.331 -1.634 5.749 46 1HG1 ILE 7 1HG11 ILE 7 7.344 -2.447 4.981 47 2HG1 ILE 7 2HG12 ILE 7 7.881 -0.945 4.253 48 1HG2 ILE 7 1HG21 ILE 7 4.247 -1.018 3.557 49 2HG2 ILE 7 3HG23 ILE 7 5.851 -0.643 2.901 50 3HG2 ILE 7 2HG22 ILE 7 5.457 -2.296 3.395 51 1HD1 ILE 7 1HD11 ILE 7 7.421 -1.383 7.247 52 2HD1 ILE 7 2HD12 ILE 7 8.993 -1.501 6.438 53 3HD1 ILE 7 3HD13 ILE 7 8.162 0.057 6.502 54 H ASP 8 HN ASP 8 7.790 0.876 4.489 55 HA ASP 8 HA ASP 8 7.092 2.454 2.204 56 1HB ASP 8 2HB ASP 8 6.923 4.319 3.760 57 2HB ASP 8 1HB ASP 8 8.423 3.842 4.576 58 H SER 9 HN SER 9 9.638 1.769 4.576 59 HA SER 9 HA SER 9 11.930 1.942 3.417 60 1HB SER 9 2HB SER 9 11.160 -0.613 4.870 61 2HB SER 9 1HB SER 9 12.684 0.295 4.971 62 HG SER 9 HG SER 9 11.302 0.763 6.751 63 H LYS 10 HN LYS 10 12.690 1.496 1.458 64 HA LYS 10 HA LYS 10 11.841 -0.094 -0.528 65 1HB LYS 10 1HB LYS 10 13.842 1.573 -0.307 66 2HB LYS 10 2HB LYS 10 14.834 0.148 -0.010 67 1HG LYS 10 2HG LYS 10 13.068 0.647 -2.457 68 2HG LYS 10 1HG LYS 10 14.796 1.004 -2.360 69 1HD LYS 10 1HD LYS 10 15.259 -1.431 -1.956 70 2HD LYS 10 2HD LYS 10 13.534 -1.764 -2.192 71 1HE LYS 10 1HE LYS 10 13.619 -0.829 -4.466 72 2HE LYS 10 2HE LYS 10 15.348 -0.472 -4.267 73 1HZ LYS 10 1HZ LYS 10 14.134 -3.147 -4.149 74 2HZ LYS 10 2HZ LYS 10 14.980 -2.524 -5.422 75 3HZ LYS 10 3HZ LYS 10 15.732 -2.806 -3.982 76 H ALA 11 HN ALA 11 14.268 -1.192 1.889 77 HA ALA 11 HA ALA 11 14.594 -3.831 0.984 78 1HB ALA 11 2HB ALA 11 16.002 -2.773 2.712 79 2HB ALA 11 1HB ALA 11 14.638 -2.789 3.855 80 3HB ALA 11 3HB ALA 11 15.345 -4.317 3.287 81 H ALA 12 HN ALA 12 12.007 -2.486 3.063 82 HA ALA 12 HA ALA 12 10.916 -5.119 3.735 83 1HB ALA 12 3HB ALA 12 10.723 -3.193 5.282 84 2HB ALA 12 2HB ALA 12 9.714 -2.357 4.076 85 3HB ALA 12 1HB ALA 12 9.154 -3.875 4.814 86 H TRP 13 HN TRP 13 10.419 -2.544 1.327 87 HA TRP 13 HA TRP 13 8.015 -3.603 0.148 88 1HB TRP 13 2HB TRP 13 8.310 -1.564 -0.727 89 2HB TRP 13 1HB TRP 13 10.027 -1.551 -0.468 90 HD1 TRP 13 HD1 TRP 13 11.509 -2.914 -2.438 91 HE1 TRP 13 HE1 TRP 13 11.267 -2.761 -4.967 92 HE3 TRP 13 HE3 TRP 13 6.762 -1.010 -2.676 93 HZ2 TRP 13 HZ2 TRP 13 9.371 -1.784 -6.842 94 HZ3 TRP 13 HZ3 TRP 13 5.827 -0.357 -4.864 95 HH2 TRP 13 HH2 TRP 13 7.134 -0.689 -6.951 96 H ASP 14 HN ASP 14 11.499 -4.154 -0.546 97 HA ASP 14 HA ASP 14 11.119 -6.126 -2.559 98 1HB ASP 14 1HB ASP 14 13.369 -5.938 -0.521 99 2HB ASP 14 2HB ASP 14 13.394 -6.914 -1.984 100 H ALA 15 HN ALA 15 11.533 -6.447 0.963 101 HA ALA 15 HA ALA 15 11.333 -9.235 1.171 102 1HB ALA 15 2HB ALA 15 11.849 -7.700 3.076 103 2HB ALA 15 1HB ALA 15 10.132 -7.243 3.145 104 3HB ALA 15 3HB ALA 15 10.614 -8.912 3.466 105 H GLN 16 HN GLN 16 8.676 -6.866 1.294 106 HA GLN 16 HA GLN 16 6.453 -8.594 1.428 107 1HB GLN 16 1HB GLN 16 6.922 -5.782 0.735 108 2HB GLN 16 2HB GLN 16 5.725 -6.489 -0.330 109 1HG GLN 16 2HG GLN 16 4.706 -5.464 1.661 110 2HG GLN 16 1HG GLN 16 4.330 -7.180 1.487 111 1HE2 GLN 16 1HE21 GLN 16 7.092 -6.393 4.454 112 2HE2 GLN 16 2HE22 GLN 16 7.406 -5.772 2.843 113 H LEU 17 HN LEU 17 8.119 -7.322 -1.456 114 HA LEU 17 HA LEU 17 6.655 -8.685 -3.427 115 1HB LEU 17 2HB LEU 17 9.307 -7.280 -3.224 116 2HB LEU 17 1HB LEU 17 9.194 -8.475 -4.511 117 HG LEU 17 HG LEU 17 7.068 -7.491 -5.233 118 1HD1 LEU 17 3HD13 LEU 17 6.469 -6.185 -3.176 119 2HD1 LEU 17 1HD11 LEU 17 7.849 -5.108 -3.492 120 3HD1 LEU 17 2HD12 LEU 17 6.493 -5.168 -4.624 121 1HD2 LEU 17 3HD23 LEU 17 9.148 -7.020 -6.433 122 2HD2 LEU 17 2HD22 LEU 17 8.088 -5.602 -6.463 123 3HD2 LEU 17 1HD21 LEU 17 9.480 -5.639 -5.359 124 H ALA 18 HN ALA 18 8.789 -10.112 -1.194 125 HA ALA 18 HA ALA 18 8.994 -12.618 -2.841 126 1HB ALA 18 1HB ALA 18 10.603 -11.717 -0.412 127 2HB ALA 18 2HB ALA 18 10.796 -13.243 -1.301 128 3HB ALA 18 3HB ALA 18 11.139 -11.696 -2.103 129 H LYS 19 HN LYS 19 8.594 -11.686 0.630 130 HA LYS 19 HA LYS 19 7.549 -14.217 1.417 131 1HB LYS 19 1HB LYS 19 6.849 -13.067 3.489 132 2HB LYS 19 2HB LYS 19 8.526 -12.762 3.048 133 1HG LYS 19 2HG LYS 19 8.209 -10.576 3.088 134 2HG LYS 19 1HG LYS 19 6.945 -10.679 1.859 135 1HD LYS 19 2HD LYS 19 6.403 -11.112 4.827 136 2HD LYS 19 1HD LYS 19 6.353 -9.533 4.037 137 1HE LYS 19 1HE LYS 19 4.658 -10.463 2.390 138 2HE LYS 19 2HE LYS 19 4.564 -11.916 3.406 139 1HZ LYS 19 2HZ LYS 19 4.018 -9.157 4.263 140 2HZ LYS 19 3HZ LYS 19 2.876 -10.300 3.914 141 3HZ LYS 19 1HZ LYS 19 3.879 -10.502 5.211 142 H GLY 20 HN GLY 20 5.909 -11.543 -0.223 143 1HA GLY 20 1HA GLY 20 3.267 -12.140 0.630 144 2HA GLY 20 2HA GLY 20 3.747 -11.379 -0.894 145 H LYS 21 HN LYS 21 5.462 -13.929 -1.462 146 HA LYS 21 HA LYS 21 5.298 -15.900 -2.545 147 1HB LYS 21 2HB LYS 21 2.519 -16.225 -1.333 148 2HB LYS 21 1HB LYS 21 3.453 -17.453 -2.154 149 1HG LYS 21 2HG LYS 21 5.102 -17.587 -0.516 150 2HG LYS 21 1HG LYS 21 4.663 -16.076 0.269 151 1HD LYS 21 1HD LYS 21 2.624 -18.314 0.182 152 2HD LYS 21 2HD LYS 21 3.974 -18.396 1.318 153 1HE LYS 21 2HE LYS 21 2.065 -17.387 2.429 154 2HE LYS 21 1HE LYS 21 3.387 -16.218 2.296 155 1HZ LYS 21 2HZ LYS 21 1.034 -16.337 0.545 156 2HZ LYS 21 1HZ LYS 21 1.273 -15.261 1.771 157 3HZ LYS 21 3HZ LYS 21 2.246 -15.228 0.444 158 H GLU 22 HN GLU 22 5.255 -14.053 -4.062 159 HA GLU 22 HA GLU 22 3.045 -13.324 -5.681 160 1HB GLU 22 2HB GLU 22 6.084 -13.146 -5.923 161 2HB GLU 22 1HB GLU 22 5.006 -12.513 -7.156 162 1HG GLU 22 1HG GLU 22 5.698 -10.744 -5.690 163 2HG GLU 22 2HG GLU 22 3.945 -10.988 -5.622 164 H GLU 23 HN GLU 23 2.614 -15.863 -5.679 165 HA GLU 23 HA GLU 23 3.673 -17.259 -8.047 166 1HB GLU 23 1HB GLU 23 1.391 -17.934 -6.125 167 2HB GLU 23 2HB GLU 23 2.038 -18.997 -7.385 168 1HG GLU 23 2HG GLU 23 4.239 -19.018 -6.274 169 2HG GLU 23 1HG GLU 23 3.658 -17.899 -5.032 170 H HIS 24 HN HIS 24 0.585 -15.887 -6.927 171 HA HIS 24 HA HIS 24 -0.114 -14.790 -9.505 172 1HB HIS 24 2HB HIS 24 -0.799 -17.088 -9.953 173 2HB HIS 24 1HB HIS 24 -1.716 -17.143 -8.442 174 HD2 HIS 24 HD2 HIS 24 -2.114 -13.921 -10.621 175 HE1 HIS 24 HE1 HIS 24 -5.624 -16.245 -10.996 176 HE2 HIS 24 HE2 HIS 24 -4.588 -13.993 -11.523 177 H LYS 25 HN LYS 25 0.164 -13.023 -7.828 178 HA LYS 25 HA LYS 25 -2.450 -12.522 -6.534 179 1HB LYS 25 1HB LYS 25 0.056 -11.984 -4.942 180 2HB LYS 25 2HB LYS 25 -1.605 -12.091 -4.400 181 1HG LYS 25 2HG LYS 25 -1.618 -14.548 -4.769 182 2HG LYS 25 1HG LYS 25 0.057 -14.464 -5.356 183 1HD LYS 25 2HD LYS 25 0.071 -15.276 -3.139 184 2HD LYS 25 1HD LYS 25 0.860 -13.691 -3.211 185 1HE LYS 25 1HE LYS 25 -1.012 -12.617 -2.164 186 2HE LYS 25 2HE LYS 25 -2.029 -14.066 -2.327 187 1HZ LYS 25 3HZ LYS 25 0.434 -13.924 -0.745 188 2HZ LYS 25 1HZ LYS 25 -1.090 -13.725 -0.132 189 3HZ LYS 25 2HZ LYS 25 -0.641 -15.176 -0.792 190 HA PRO 26 HA PRO 26 -1.378 -8.381 -7.896 191 1HB PRO 26 1HB PRO 26 -3.373 -6.933 -6.781 192 2HB PRO 26 2HB PRO 26 -3.693 -8.132 -8.072 193 1HG PRO 26 1HG PRO 26 -3.805 -8.647 -5.081 194 2HG PRO 26 2HG PRO 26 -5.174 -8.823 -6.213 195 1HD PRO 26 2HD PRO 26 -3.545 -10.872 -5.465 196 2HD PRO 26 1HD PRO 26 -3.949 -10.737 -7.208 197 H ILE 27 HN ILE 27 0.275 -7.137 -7.160 198 HA ILE 27 HA ILE 27 0.467 -6.551 -4.262 199 HB ILE 27 HB ILE 27 2.386 -5.924 -6.507 200 1HG1 ILE 27 2HG12 ILE 27 2.919 -7.862 -4.240 201 2HG1 ILE 27 1HG11 ILE 27 2.132 -8.407 -5.727 202 1HG2 ILE 27 1HG21 ILE 27 2.591 -5.548 -3.486 203 2HG2 ILE 27 2HG22 ILE 27 3.918 -5.260 -4.624 204 3HG2 ILE 27 3HG23 ILE 27 2.482 -4.252 -4.691 205 1HD1 ILE 27 3HD13 ILE 27 4.819 -6.970 -5.663 206 2HD1 ILE 27 1HD11 ILE 27 4.587 -8.713 -5.801 207 3HD1 ILE 27 2HD12 ILE 27 4.000 -7.640 -7.087 208 H VAL 28 HN VAL 28 -0.401 -4.608 -3.619 209 HA VAL 28 HA VAL 28 -1.213 -2.652 -5.755 210 HB VAL 28 HB VAL 28 -2.603 -3.204 -3.116 211 1HG1 VAL 28 2HG12 VAL 28 -2.755 -0.866 -4.124 212 2HG1 VAL 28 1HG11 VAL 28 -3.499 -1.589 -5.553 213 3HG1 VAL 28 3HG13 VAL 28 -4.311 -1.703 -3.976 214 1HG2 VAL 28 3HG23 VAL 28 -3.409 -3.991 -5.956 215 2HG2 VAL 28 2HG22 VAL 28 -2.904 -5.114 -4.681 216 3HG2 VAL 28 1HG21 VAL 28 -4.401 -4.189 -4.497 217 H VAL 29 HN VAL 29 -0.007 -0.847 -5.636 218 HA VAL 29 HA VAL 29 1.421 -0.284 -3.092 219 HB VAL 29 HB VAL 29 2.078 0.942 -5.763 220 1HG1 VAL 29 3HG23 VAL 29 3.022 1.859 -3.627 221 2HG1 VAL 29 2HG22 VAL 29 3.694 0.251 -3.279 222 3HG1 VAL 29 1HG21 VAL 29 4.260 1.176 -4.678 223 1HG2 VAL 29 2HG12 VAL 29 3.033 -1.750 -4.738 224 2HG2 VAL 29 1HG11 VAL 29 2.110 -1.436 -6.229 225 3HG2 VAL 29 3HG13 VAL 29 3.760 -0.828 -6.078 226 H ASP 30 HN ASP 30 0.638 1.355 -1.877 227 HA ASP 30 HA ASP 30 -0.920 3.594 -3.089 228 1HB ASP 30 1HB ASP 30 -1.875 2.802 -1.049 229 2HB ASP 30 2HB ASP 30 -0.320 2.775 -0.222 230 H PHE 31 HN PHE 31 0.759 4.499 -4.322 231 HA PHE 31 HA PHE 31 3.250 5.426 -2.982 232 1HB PHE 31 1HB PHE 31 2.172 5.559 -5.808 233 2HB PHE 31 2HB PHE 31 3.567 6.471 -5.290 234 HD1 PHE 31 HD1 PHE 31 5.561 5.156 -4.253 235 HD2 PHE 31 HD2 PHE 31 2.475 3.356 -6.667 236 HE1 PHE 31 HE1 PHE 31 7.236 3.647 -5.260 237 HE2 PHE 31 HE2 PHE 31 4.172 1.843 -7.677 238 HZ PHE 31 HZ PHE 31 6.550 2.026 -7.034 239 H THR 32 HN THR 32 2.510 6.950 -1.487 240 HA THR 32 HA THR 32 1.013 9.306 -2.575 241 HB THR 32 HB THR 32 -0.469 8.028 -1.161 242 HG1 THR 32 HG1 THR 32 -0.987 9.690 0.210 243 1HG2 THR 32 2HG22 THR 32 1.635 8.337 1.031 244 2HG2 THR 32 3HG23 THR 32 -0.023 7.721 1.229 245 3HG2 THR 32 1HG21 THR 32 1.139 6.807 0.259 246 H ALA 33 HN ALA 33 1.391 11.065 -0.644 247 HA ALA 33 HA ALA 33 4.365 11.351 -0.323 248 1HB ALA 33 3HB ALA 33 2.440 13.368 -1.525 249 2HB ALA 33 2HB ALA 33 4.043 13.781 -0.878 250 3HB ALA 33 1HB ALA 33 3.903 12.673 -2.247 251 H THR 34 HN THR 34 4.682 11.420 1.833 252 HA THR 34 HA THR 34 2.836 11.668 3.877 253 HB THR 34 HB THR 34 5.003 12.646 5.100 254 HG1 THR 34 HG1 THR 34 6.637 11.557 3.307 255 1HG2 THR 34 3HG23 THR 34 4.806 9.899 3.808 256 2HG2 THR 34 1HG21 THR 34 5.985 10.339 5.073 257 3HG2 THR 34 2HG22 THR 34 4.246 10.386 5.416 258 H TRP 35 HN TRP 35 4.892 14.325 2.682 259 HA TRP 35 HA TRP 35 3.781 16.363 4.285 260 1HB TRP 35 1HB TRP 35 4.711 17.896 2.487 261 2HB TRP 35 2HB TRP 35 5.825 16.782 3.262 262 HD1 TRP 35 HD1 TRP 35 7.096 15.065 1.818 263 HE1 TRP 35 HE1 TRP 35 7.496 14.848 -0.699 264 HE3 TRP 35 HE3 TRP 35 3.231 17.980 0.109 265 HZ2 TRP 35 HZ2 TRP 35 6.164 15.603 -3.137 266 HZ3 TRP 35 HZ3 TRP 35 2.789 18.149 -2.319 267 HH2 TRP 35 HH2 TRP 35 4.236 16.959 -3.950 268 H CYS 36 HN CYS 36 2.400 14.941 1.332 269 HA CYS 36 HA CYS 36 0.582 17.244 0.920 270 1HB CYS 36 2HB CYS 36 1.269 16.100 -1.078 271 2HB CYS 36 1HB CYS 36 0.827 14.540 -0.390 272 H GLY 37 HN GLY 37 -0.215 17.224 3.102 273 1HA GLY 37 1HA GLY 37 -1.409 15.464 4.685 274 2HA GLY 37 2HA GLY 37 -2.217 17.001 4.334 275 HA PRO 38 HA PRO 38 -5.634 15.092 2.269 276 1HB PRO 38 2HB PRO 38 -4.617 15.942 -0.455 277 2HB PRO 38 1HB PRO 38 -6.273 16.078 0.203 278 1HG PRO 38 1HG PRO 38 -4.670 18.258 0.186 279 2HG PRO 38 2HG PRO 38 -5.598 17.873 1.668 280 1HD PRO 38 2HD PRO 38 -2.690 17.271 1.080 281 2HD PRO 38 1HD PRO 38 -3.417 17.959 2.561 282 H CYS 39 HN CYS 39 -2.572 14.474 0.594 283 HA CYS 39 HA CYS 39 -3.460 12.033 -0.727 284 1HB CYS 39 1HB CYS 39 -0.588 12.822 -0.166 285 2HB CYS 39 2HB CYS 39 -1.222 11.737 -1.389 286 H LYS 40 HN LYS 40 -1.799 12.995 2.277 287 HA LYS 40 HA LYS 40 -1.078 10.376 3.147 288 1HB LYS 40 2HB LYS 40 -0.209 12.601 4.053 289 2HB LYS 40 1HB LYS 40 -1.739 12.744 4.937 290 1HG LYS 40 2HG LYS 40 -1.173 10.353 5.859 291 2HG LYS 40 1HG LYS 40 0.464 10.694 5.290 292 1HD LYS 40 1HD LYS 40 -1.180 12.345 7.277 293 2HD LYS 40 2HD LYS 40 0.141 11.239 7.684 294 1HE LYS 40 1HE LYS 40 1.718 12.661 6.366 295 2HE LYS 40 2HE LYS 40 0.396 13.799 6.036 296 1HZ LYS 40 1HZ LYS 40 0.192 14.155 8.378 297 2HZ LYS 40 3HZ LYS 40 1.426 13.108 8.691 298 3HZ LYS 40 2HZ LYS 40 1.717 14.503 7.863 299 H MET 41 HN MET 41 -3.924 12.422 3.804 300 HA MET 41 HA MET 41 -5.273 10.631 5.581 301 1HB MET 41 1HB MET 41 -6.351 12.780 3.681 302 2HB MET 41 2HB MET 41 -7.331 11.932 4.893 303 1HG MET 41 1HG MET 41 -5.658 12.624 6.628 304 2HG MET 41 2HG MET 41 -4.942 13.723 5.462 305 1HE MET 41 2HE MET 41 -6.111 15.863 4.520 306 2HE MET 41 1HE MET 41 -7.494 14.903 3.921 307 3HE MET 41 3HE MET 41 -7.775 16.349 4.915 308 H ILE 42 HN ILE 42 -4.948 10.346 2.150 309 HA ILE 42 HA ILE 42 -7.188 8.452 1.937 310 HB ILE 42 HB ILE 42 -4.957 9.322 0.076 311 1HG1 ILE 42 2HG12 ILE 42 -8.001 9.600 -0.073 312 2HG1 ILE 42 1HG11 ILE 42 -6.975 10.817 0.688 313 1HG2 ILE 42 1HG21 ILE 42 -7.155 7.260 -0.399 314 2HG2 ILE 42 2HG22 ILE 42 -6.144 7.975 -1.675 315 3HG2 ILE 42 3HG23 ILE 42 -5.401 6.977 -0.428 316 1HD1 ILE 42 1HD11 ILE 42 -5.775 11.191 -1.416 317 2HD1 ILE 42 3HD13 ILE 42 -6.836 10.006 -2.224 318 3HD1 ILE 42 2HD12 ILE 42 -7.515 11.499 -1.557 319 H ALA 43 HN ALA 43 -3.807 8.257 2.911 320 HA ALA 43 HA ALA 43 -3.323 5.549 2.334 321 1HB ALA 43 1HB ALA 43 -1.601 7.165 3.079 322 2HB ALA 43 3HB ALA 43 -2.262 7.123 4.726 323 3HB ALA 43 2HB ALA 43 -1.579 5.657 4.014 324 HA PRO 44 HA PRO 44 -5.122 4.271 6.628 325 1HB PRO 44 1HB PRO 44 -7.152 5.810 7.717 326 2HB PRO 44 2HB PRO 44 -5.433 5.876 8.195 327 1HG PRO 44 1HG PRO 44 -6.878 7.649 6.232 328 2HG PRO 44 2HG PRO 44 -5.779 8.149 7.549 329 1HD PRO 44 2HD PRO 44 -4.856 7.976 5.054 330 2HD PRO 44 1HD PRO 44 -3.864 7.326 6.376 331 H LEU 45 HN LEU 45 -7.157 6.083 4.325 332 HA LEU 45 HA LEU 45 -9.436 4.300 4.451 333 1HB LEU 45 2HB LEU 45 -8.403 5.958 2.099 334 2HB LEU 45 1HB LEU 45 -9.947 5.151 2.168 335 HG LEU 45 HG LEU 45 -8.995 7.437 3.969 336 1HD1 LEU 45 1HD11 LEU 45 -9.537 8.070 1.625 337 2HD1 LEU 45 3HD13 LEU 45 -11.149 7.349 1.816 338 3HD1 LEU 45 2HD12 LEU 45 -10.682 8.762 2.786 339 1HD2 LEU 45 3HD23 LEU 45 -11.664 5.957 3.937 340 2HD2 LEU 45 2HD22 LEU 45 -10.517 6.067 5.294 341 3HD2 LEU 45 1HD21 LEU 45 -11.381 7.507 4.755 342 H PHE 46 HN PHE 46 -6.595 4.444 2.305 343 HA PHE 46 HA PHE 46 -7.087 2.040 0.851 344 1HB PHE 46 1HB PHE 46 -5.486 3.737 0.203 345 2HB PHE 46 2HB PHE 46 -4.515 3.487 1.639 346 HD1 PHE 46 HD1 PHE 46 -3.185 1.434 2.026 347 HD2 PHE 46 HD2 PHE 46 -5.128 2.228 -1.740 348 HE1 PHE 46 HE1 PHE 46 -1.609 -0.094 0.888 349 HE2 PHE 46 HE2 PHE 46 -3.577 0.706 -2.865 350 HZ PHE 46 HZ PHE 46 -1.737 -0.412 -1.574 351 H GLU 47 HN GLU 47 -5.273 2.527 3.960 352 HA GLU 47 HA GLU 47 -4.596 -0.206 4.303 353 1HB GLU 47 1HB GLU 47 -4.774 2.192 6.045 354 2HB GLU 47 2HB GLU 47 -4.980 0.674 6.897 355 1HG GLU 47 1HG GLU 47 -2.643 1.259 5.033 356 2HG GLU 47 2HG GLU 47 -2.605 1.481 6.788 357 H THR 48 HN THR 48 -7.571 1.582 5.258 358 HA THR 48 HA THR 48 -8.825 -0.547 6.643 359 HB THR 48 HB THR 48 -10.212 1.551 4.909 360 HG1 THR 48 HG1 THR 48 -8.763 2.478 6.453 361 1HG2 THR 48 2HG22 THR 48 -11.126 -0.006 7.365 362 2HG2 THR 48 3HG23 THR 48 -12.034 1.281 6.549 363 3HG2 THR 48 1HG21 THR 48 -11.718 -0.245 5.705 364 H LEU 49 HN LEU 49 -8.908 0.310 3.135 365 HA LEU 49 HA LEU 49 -10.460 -1.943 2.325 366 1HB LEU 49 1HB LEU 49 -9.905 0.094 0.920 367 2HB LEU 49 2HB LEU 49 -8.255 -0.522 0.759 368 HG LEU 49 HG LEU 49 -9.247 -2.573 -0.355 369 1HD1 LEU 49 1HD21 LEU 49 -11.741 -0.821 -0.108 370 2HD1 LEU 49 3HD23 LEU 49 -11.604 -2.129 -1.294 371 3HD1 LEU 49 2HD22 LEU 49 -11.544 -2.500 0.437 372 1HD2 LEU 49 3HD13 LEU 49 -8.249 -0.683 -1.608 373 2HD2 LEU 49 2HD12 LEU 49 -9.610 -1.403 -2.483 374 3HD2 LEU 49 1HD11 LEU 49 -9.823 0.139 -1.625 375 H SER 50 HN SER 50 -6.955 -1.471 2.710 376 HA SER 50 HA SER 50 -6.051 -3.844 1.587 377 1HB SER 50 2HB SER 50 -4.810 -2.411 3.955 378 2HB SER 50 1HB SER 50 -4.020 -3.542 2.860 379 HG SER 50 HG SER 50 -5.181 -1.135 1.928 380 H ASN 51 HN ASN 51 -7.009 -3.233 4.954 381 HA ASN 51 HA ASN 51 -6.325 -5.917 5.803 382 1HB ASN 51 1HB ASN 51 -8.040 -3.764 7.087 383 2HB ASN 51 2HB ASN 51 -7.693 -5.331 7.828 384 1HD2 ASN 51 2HD22 ASN 51 -4.717 -2.463 7.645 385 2HD2 ASN 51 1HD21 ASN 51 -6.232 -2.267 6.806 386 H ASP 52 HN ASP 52 -8.970 -4.847 3.820 387 HA ASP 52 HA ASP 52 -10.823 -6.926 4.733 388 1HB ASP 52 1HB ASP 52 -11.689 -4.891 3.667 389 2HB ASP 52 2HB ASP 52 -10.803 -5.255 2.177 390 H TYR 53 HN TYR 53 -8.946 -6.451 1.640 391 HA TYR 53 HA TYR 53 -9.182 -9.304 1.020 392 1HB TYR 53 1HB TYR 53 -7.527 -7.171 -0.355 393 2HB TYR 53 2HB TYR 53 -7.998 -8.739 -0.960 394 HD1 TYR 53 HD1 TYR 53 -9.226 -5.341 -0.082 395 HD2 TYR 53 HD2 TYR 53 -9.777 -8.906 -2.432 396 HE1 TYR 53 HE1 TYR 53 -10.489 -4.061 -1.741 397 HE2 TYR 53 HE2 TYR 53 -11.045 -7.600 -4.089 398 HH TYR 53 HH TYR 53 -11.791 -4.131 -3.658 399 H ALA 54 HN ALA 54 -7.818 -8.909 3.498 400 HA ALA 54 HA ALA 54 -5.015 -8.519 3.223 401 1HB ALA 54 1HB ALA 54 -6.206 -8.292 5.370 402 2HB ALA 54 2HB ALA 54 -6.595 -10.026 5.366 403 3HB ALA 54 3HB ALA 54 -4.906 -9.489 5.519 404 H GLY 55 HN GLY 55 -3.291 -10.036 3.248 405 1HA GLY 55 1HA GLY 55 -2.209 -12.059 2.986 406 2HA GLY 55 2HA GLY 55 -3.757 -12.911 3.129 407 H LYS 56 HN LYS 56 -5.304 -12.325 1.130 408 HA LYS 56 HA LYS 56 -4.067 -13.532 -1.133 409 1HB LYS 56 1HB LYS 56 -6.443 -13.763 -0.798 410 2HB LYS 56 2HB LYS 56 -6.687 -12.012 -0.845 411 1HG LYS 56 1HG LYS 56 -7.406 -13.114 -2.929 412 2HG LYS 56 2HG LYS 56 -6.147 -11.916 -3.211 413 1HD LYS 56 1HD LYS 56 -4.445 -13.790 -3.345 414 2HD LYS 56 2HD LYS 56 -5.771 -14.945 -3.123 415 1HE LYS 56 2HE LYS 56 -6.814 -14.081 -5.226 416 2HE LYS 56 1HE LYS 56 -5.507 -12.891 -5.385 417 1HZ LYS 56 3HZ LYS 56 -5.136 -15.799 -5.428 418 2HZ LYS 56 1HZ LYS 56 -5.180 -14.816 -6.747 419 3HZ LYS 56 2HZ LYS 56 -3.962 -14.664 -5.663 420 H VAL 57 HN VAL 57 -4.949 -10.056 -0.497 421 HA VAL 57 HA VAL 57 -3.435 -9.328 -2.975 422 HB VAL 57 HB VAL 57 -5.303 -7.784 -1.191 423 1HG1 VAL 57 2HG12 VAL 57 -3.904 -6.955 -3.771 424 2HG1 VAL 57 3HG13 VAL 57 -5.173 -6.029 -2.972 425 3HG1 VAL 57 1HG11 VAL 57 -3.613 -6.262 -2.174 426 1HG2 VAL 57 3HG23 VAL 57 -6.509 -9.435 -2.520 427 2HG2 VAL 57 1HG21 VAL 57 -6.851 -7.792 -3.085 428 3HG2 VAL 57 2HG22 VAL 57 -5.752 -8.839 -3.992 429 H ILE 58 HN ILE 58 -1.483 -8.284 -2.828 430 HA ILE 58 HA ILE 58 -0.277 -8.118 -0.092 431 HB ILE 58 HB ILE 58 0.982 -8.071 -2.863 432 1HG1 ILE 58 1HG11 ILE 58 0.040 -10.248 -2.505 433 2HG1 ILE 58 2HG12 ILE 58 1.790 -10.310 -2.376 434 1HG2 ILE 58 2HG22 ILE 58 2.243 -8.177 -0.088 435 2HG2 ILE 58 1HG21 ILE 58 3.105 -8.439 -1.614 436 3HG2 ILE 58 3HG23 ILE 58 2.376 -6.867 -1.269 437 1HD1 ILE 58 2HD12 ILE 58 1.603 -10.366 0.110 438 2HD1 ILE 58 3HD13 ILE 58 -0.176 -10.372 -0.045 439 3HD1 ILE 58 1HD11 ILE 58 0.780 -11.711 -0.680 440 H PHE 59 HN PHE 59 -0.895 -6.147 0.801 441 HA PHE 59 HA PHE 59 -0.927 -3.799 -1.039 442 1HB PHE 59 1HB PHE 59 -1.913 -4.123 1.804 443 2HB PHE 59 2HB PHE 59 -1.991 -2.633 0.880 444 HD1 PHE 59 HD2 PHE 59 -3.311 -6.114 1.074 445 HD2 PHE 59 HD1 PHE 59 -3.638 -2.276 -0.873 446 HE1 PHE 59 HE2 PHE 59 -5.666 -6.542 0.597 447 HE2 PHE 59 HE1 PHE 59 -5.881 -2.893 -1.698 448 HZ PHE 59 HZ PHE 59 -6.926 -5.030 -0.959 449 H LEU 60 HN LEU 60 0.281 -2.103 -0.902 450 HA LEU 60 HA LEU 60 2.526 -2.165 1.048 451 1HB LEU 60 2HB LEU 60 2.463 -3.080 -1.624 452 2HB LEU 60 1HB LEU 60 3.192 -1.508 -1.782 453 HG LEU 60 HG LEU 60 3.985 -3.665 0.225 454 1HD1 LEU 60 1HD11 LEU 60 5.110 -3.024 -2.520 455 2HD1 LEU 60 2HD12 LEU 60 5.886 -4.114 -1.338 456 3HD1 LEU 60 3HD13 LEU 60 4.286 -4.509 -1.997 457 1HD2 LEU 60 2HD22 LEU 60 4.706 -1.333 0.854 458 2HD2 LEU 60 1HD21 LEU 60 6.092 -2.357 0.463 459 3HD2 LEU 60 3HD23 LEU 60 5.499 -1.168 -0.718 460 H LYS 61 HN LYS 61 2.450 -0.329 2.143 461 HA LYS 61 HA LYS 61 1.441 2.174 0.956 462 1HB LYS 61 2HB LYS 61 0.910 1.752 3.281 463 2HB LYS 61 1HB LYS 61 2.599 1.364 3.630 464 1HG LYS 61 1HG LYS 61 2.143 3.516 4.538 465 2HG LYS 61 2HG LYS 61 3.261 3.711 3.206 466 1HD LYS 61 2HD LYS 61 1.316 4.415 1.729 467 2HD LYS 61 1HD LYS 61 0.258 4.245 3.134 468 1HE LYS 61 2HE LYS 61 0.868 6.567 2.968 469 2HE LYS 61 1HE LYS 61 1.741 5.919 4.356 470 1HZ LYS 61 3HZ LYS 61 2.868 6.277 1.655 471 2HZ LYS 61 1HZ LYS 61 3.120 7.281 2.938 472 3HZ LYS 61 2HZ LYS 61 3.685 5.735 2.979 473 H VAL 62 HN VAL 62 2.819 3.767 0.054 474 HA VAL 62 HA VAL 62 5.702 3.592 0.681 475 HB VAL 62 HB VAL 62 4.600 3.691 -2.172 476 1HG1 VAL 62 2HG12 VAL 62 7.387 3.653 -0.971 477 2HG1 VAL 62 3HG13 VAL 62 7.073 3.478 -2.710 478 3HG1 VAL 62 1HG11 VAL 62 6.692 5.003 -1.899 479 1HG2 VAL 62 2HG22 VAL 62 6.123 1.473 -0.735 480 2HG2 VAL 62 1HG21 VAL 62 4.445 1.384 -1.323 481 3HG2 VAL 62 3HG23 VAL 62 5.777 1.529 -2.472 482 H ASP 63 HN ASP 63 6.653 5.537 0.869 483 HA ASP 63 HA ASP 63 5.015 7.980 0.386 484 1HB ASP 63 2HB ASP 63 5.766 7.737 2.700 485 2HB ASP 63 1HB ASP 63 7.439 7.529 2.163 486 H VAL 64 HN VAL 64 5.474 8.580 -1.696 487 HA VAL 64 HA VAL 64 7.800 7.843 -3.154 488 HB VAL 64 HB VAL 64 7.105 9.454 -4.810 489 1HG1 VAL 64 1HG11 VAL 64 4.699 8.082 -3.524 490 2HG1 VAL 64 2HG12 VAL 64 4.755 8.731 -5.159 491 3HG1 VAL 64 3HG13 VAL 64 5.836 7.404 -4.705 492 1HG2 VAL 64 3HG23 VAL 64 5.231 10.653 -2.742 493 2HG2 VAL 64 1HG21 VAL 64 6.620 11.438 -3.518 494 3HG2 VAL 64 2HG22 VAL 64 5.218 10.986 -4.485 495 H ASP 65 HN ASP 65 7.213 10.499 -0.914 496 HA ASP 65 HA ASP 65 9.356 12.205 -1.661 497 1HB ASP 65 1HB ASP 65 7.443 12.676 -0.032 498 2HB ASP 65 2HB ASP 65 8.341 11.733 1.167 499 H ALA 66 HN ALA 66 9.209 9.211 0.252 500 HA ALA 66 HA ALA 66 11.977 9.496 1.237 501 1HB ALA 66 3HB ALA 66 9.886 7.308 1.596 502 2HB ALA 66 1HB ALA 66 11.482 7.359 2.369 503 3HB ALA 66 2HB ALA 66 10.270 8.601 2.745 504 H VAL 67 HN VAL 67 10.183 6.867 -0.529 505 HA VAL 67 HA VAL 67 12.802 5.994 -1.629 506 HB VAL 67 HB VAL 67 11.627 4.085 -2.499 507 1HG1 VAL 67 3HG13 VAL 67 12.641 4.038 -0.254 508 2HG1 VAL 67 1HG11 VAL 67 11.103 4.568 0.459 509 3HG1 VAL 67 2HG12 VAL 67 11.211 2.997 -0.355 510 1HG2 VAL 67 2HG22 VAL 67 9.324 5.083 -2.803 511 2HG2 VAL 67 1HG21 VAL 67 9.391 3.551 -1.925 512 3HG2 VAL 67 3HG23 VAL 67 9.167 5.084 -1.036 513 H ALA 68 HN ALA 68 12.625 8.334 -2.569 514 HA ALA 68 HA ALA 68 11.207 9.009 -4.852 515 1HB ALA 68 1HB ALA 68 12.797 10.499 -3.706 516 2HB ALA 68 2HB ALA 68 14.163 9.515 -4.278 517 3HB ALA 68 3HB ALA 68 13.160 10.408 -5.442 518 H ALA 69 HN ALA 69 14.102 6.945 -4.641 519 HA ALA 69 HA ALA 69 14.619 6.502 -7.366 520 1HB ALA 69 2HB ALA 69 16.116 5.800 -5.550 521 2HB ALA 69 1HB ALA 69 14.932 4.588 -5.011 522 3HB ALA 69 3HB ALA 69 15.713 4.428 -6.599 523 H VAL 70 HN VAL 70 12.357 4.744 -5.167 524 HA VAL 70 HA VAL 70 11.627 2.777 -7.186 525 HB VAL 70 HB VAL 70 10.156 3.566 -4.637 526 1HG1 VAL 70 1HG11 VAL 70 8.782 2.275 -6.310 527 2HG1 VAL 70 3HG13 VAL 70 10.029 1.023 -6.329 528 3HG1 VAL 70 2HG12 VAL 70 9.115 1.348 -4.841 529 1HG2 VAL 70 3HG23 VAL 70 12.468 2.728 -4.164 530 2HG2 VAL 70 2HG22 VAL 70 11.212 1.576 -3.662 531 3HG2 VAL 70 1HG21 VAL 70 12.126 1.298 -5.162 532 H ALA 71 HN ALA 71 10.260 5.799 -5.864 533 HA ALA 71 HA ALA 71 7.855 5.847 -7.326 534 1HB ALA 71 3HB ALA 71 8.455 7.383 -5.472 535 2HB ALA 71 2HB ALA 71 9.577 8.243 -6.543 536 3HB ALA 71 1HB ALA 71 7.844 8.253 -6.890 537 H GLU 72 HN GLU 72 11.007 7.374 -8.297 538 HA GLU 72 HA GLU 72 9.960 8.189 -10.851 539 1HB GLU 72 1HB GLU 72 12.187 8.842 -11.405 540 2HB GLU 72 2HB GLU 72 11.851 9.292 -9.730 541 1HG GLU 72 2HG GLU 72 13.110 7.188 -9.037 542 2HG GLU 72 1HG GLU 72 13.609 7.004 -10.722 543 H ALA 73 HN ALA 73 11.867 5.277 -9.827 544 HA ALA 73 HA ALA 73 12.230 4.231 -12.439 545 1HB ALA 73 1HB ALA 73 11.883 2.763 -9.785 546 2HB ALA 73 2HB ALA 73 12.544 2.070 -11.280 547 3HB ALA 73 3HB ALA 73 13.411 3.379 -10.457 548 H ALA 74 HN ALA 74 9.577 3.736 -10.088 549 HA ALA 74 HA ALA 74 8.048 1.929 -11.697 550 1HB ALA 74 2HB ALA 74 7.260 3.771 -9.399 551 2HB ALA 74 1HB ALA 74 6.262 2.458 -10.044 552 3HB ALA 74 3HB ALA 74 7.807 2.088 -9.266 553 H GLY 75 HN GLY 75 8.050 5.458 -11.311 554 1HA GLY 75 1HA GLY 75 7.668 6.876 -13.210 555 2HA GLY 75 2HA GLY 75 6.500 5.714 -13.858 556 H ILE 76 HN ILE 76 6.918 7.308 -10.658 557 HA ILE 76 HA ILE 76 4.046 7.875 -10.431 558 HB ILE 76 HB ILE 76 6.548 8.325 -8.802 559 1HG1 ILE 76 2HG12 ILE 76 5.328 7.149 -7.100 560 2HG1 ILE 76 1HG11 ILE 76 3.792 7.346 -7.949 561 1HG2 ILE 76 3HG23 ILE 76 3.923 9.760 -8.222 562 2HG2 ILE 76 1HG21 ILE 76 5.308 9.624 -7.123 563 3HG2 ILE 76 2HG22 ILE 76 5.484 10.527 -8.613 564 1HD1 ILE 76 1HD11 ILE 76 6.113 5.653 -8.941 565 2HD1 ILE 76 3HD13 ILE 76 4.700 5.046 -8.082 566 3HD1 ILE 76 2HD12 ILE 76 4.503 5.748 -9.681 567 H THR 77 HN THR 77 3.041 9.892 -10.560 568 HA THR 77 HA THR 77 4.596 12.155 -11.741 569 HB THR 77 HB THR 77 2.542 12.626 -13.091 570 HG1 THR 77 HG1 THR 77 1.176 10.668 -13.353 571 1HG2 THR 77 3HG23 THR 77 4.503 11.401 -14.064 572 2HG2 THR 77 2HG22 THR 77 3.730 9.860 -13.638 573 3HG2 THR 77 1HG21 THR 77 2.965 10.942 -14.818 574 H ALA 78 HN ALA 78 1.221 11.713 -10.853 575 HA ALA 78 HA ALA 78 1.381 13.907 -8.834 576 1HB ALA 78 1HB ALA 78 -0.425 13.959 -10.540 577 2HB ALA 78 2HB ALA 78 -1.012 12.384 -9.962 578 3HB ALA 78 3HB ALA 78 -1.078 13.805 -8.900 579 H MET 79 HN MET 79 -0.212 13.342 -6.853 580 HA MET 79 HA MET 79 0.200 10.575 -5.917 581 1HB MET 79 2HB MET 79 0.825 12.940 -4.128 582 2HB MET 79 1HB MET 79 1.067 11.210 -3.826 583 1HG MET 79 2HG MET 79 3.188 11.984 -4.271 584 2HG MET 79 1HG MET 79 2.721 11.276 -5.813 585 1HE MET 79 1HE MET 79 4.514 12.389 -7.190 586 2HE MET 79 3HE MET 79 4.942 14.112 -7.157 587 3HE MET 79 2HE MET 79 5.277 13.092 -5.738 588 HA PRO 80 HA PRO 80 -0.899 9.326 -4.034 589 1HB PRO 80 1HB PRO 80 -3.755 8.594 -4.750 590 2HB PRO 80 2HB PRO 80 -2.713 7.864 -3.520 591 1HG PRO 80 1HG PRO 80 -4.554 9.692 -2.781 592 2HG PRO 80 2HG PRO 80 -2.888 9.909 -2.160 593 1HD PRO 80 1HD PRO 80 -4.169 11.271 -4.568 594 2HD PRO 80 2HD PRO 80 -3.230 12.003 -3.253 595 H THR 81 HN THR 81 -0.304 7.504 -5.254 596 HA THR 81 HA THR 81 -1.337 7.172 -8.010 597 HB THR 81 HB THR 81 1.533 7.297 -7.052 598 HG1 THR 81 HG1 THR 81 0.850 9.146 -8.064 599 1HG2 THR 81 3HG23 THR 81 0.425 5.843 -9.495 600 2HG2 THR 81 2HG22 THR 81 2.117 6.335 -9.326 601 3HG2 THR 81 1HG21 THR 81 1.436 5.147 -8.204 602 H PHE 82 HN PHE 82 -2.120 5.172 -8.294 603 HA PHE 82 HA PHE 82 -1.571 3.096 -6.218 604 1HB PHE 82 1HB PHE 82 -4.106 3.619 -7.798 605 2HB PHE 82 2HB PHE 82 -3.811 2.227 -6.778 606 HD1 PHE 82 HD2 PHE 82 -2.868 2.761 -4.332 607 HD2 PHE 82 HD1 PHE 82 -5.245 5.482 -6.701 608 HE1 PHE 82 HE2 PHE 82 -3.394 4.085 -2.307 609 HE2 PHE 82 HE1 PHE 82 -5.829 6.732 -4.651 610 HZ PHE 82 HZ PHE 82 -4.839 6.064 -2.450 611 H HIS 83 HN HIS 83 -0.019 1.819 -7.107 612 HA HIS 83 HA HIS 83 -0.280 1.068 -10.005 613 1HB HIS 83 1HB HIS 83 2.006 0.897 -8.017 614 2HB HIS 83 2HB HIS 83 1.955 -0.006 -9.533 615 HD2 HIS 83 HD2 HIS 83 0.566 3.475 -10.071 616 HE1 HIS 83 HE1 HIS 83 4.561 3.435 -11.442 617 HE2 HIS 83 HE2 HIS 83 2.370 4.766 -11.459 618 H VAL 84 HN VAL 84 -0.511 -1.074 -10.580 619 HA VAL 84 HA VAL 84 -0.869 -3.015 -8.340 620 HB VAL 84 HB VAL 84 -2.366 -3.187 -10.966 621 1HG1 VAL 84 3HG23 VAL 84 -2.610 -4.492 -8.205 622 2HG1 VAL 84 1HG21 VAL 84 -3.721 -4.747 -9.550 623 3HG1 VAL 84 2HG22 VAL 84 -2.040 -5.279 -9.690 624 1HG2 VAL 84 1HG11 VAL 84 -3.352 -2.003 -8.339 625 2HG2 VAL 84 3HG13 VAL 84 -3.171 -1.134 -9.885 626 3HG2 VAL 84 2HG12 VAL 84 -4.360 -2.425 -9.736 627 H TYR 85 HN TYR 85 0.859 -4.328 -8.386 628 HA TYR 85 HA TYR 85 2.080 -5.089 -11.012 629 1HB TYR 85 1HB TYR 85 3.275 -5.080 -8.233 630 2HB TYR 85 2HB TYR 85 4.032 -5.810 -9.633 631 HD1 TYR 85 HD2 TYR 85 3.034 -2.649 -8.011 632 HD2 TYR 85 HD1 TYR 85 5.119 -4.429 -11.333 633 HE1 TYR 85 HE2 TYR 85 4.049 -0.452 -8.558 634 HE2 TYR 85 HE1 TYR 85 6.090 -2.214 -11.900 635 HH TYR 85 HH TYR 85 4.834 0.758 -10.444 636 H LYS 86 HN LYS 86 1.053 -6.980 -11.653 637 HA LYS 86 HA LYS 86 -0.059 -8.800 -9.590 638 1HB LYS 86 2HB LYS 86 -1.332 -8.412 -11.631 639 2HB LYS 86 1HB LYS 86 -0.013 -9.064 -12.620 640 1HG LYS 86 2HG LYS 86 -0.241 -11.246 -11.667 641 2HG LYS 86 1HG LYS 86 -1.270 -10.682 -10.350 642 1HD LYS 86 1HD LYS 86 -2.099 -10.490 -13.277 643 2HD LYS 86 2HD LYS 86 -2.393 -11.944 -12.323 644 1HE LYS 86 2HE LYS 86 -3.465 -9.191 -11.542 645 2HE LYS 86 1HE LYS 86 -4.361 -10.419 -12.446 646 1HZ LYS 86 1HZ LYS 86 -3.270 -10.868 -9.766 647 2HZ LYS 86 3HZ LYS 86 -4.828 -10.459 -10.108 648 3HZ LYS 86 2HZ LYS 86 -4.235 -11.885 -10.645 649 H ASP 87 HN ASP 87 1.460 -9.840 -8.511 650 HA ASP 87 HA ASP 87 3.172 -11.120 -7.893 651 1HB ASP 87 1HB ASP 87 3.461 -11.857 -10.854 652 2HB ASP 87 2HB ASP 87 4.198 -12.694 -9.499 653 H GLY 88 HN GLY 88 4.070 -9.626 -10.913 654 1HA GLY 88 1HA GLY 88 6.019 -7.802 -9.739 655 2HA GLY 88 2HA GLY 88 6.757 -9.101 -10.699 656 H VAL 89 HN VAL 89 3.904 -8.821 -12.324 657 HA VAL 89 HA VAL 89 5.141 -7.120 -14.369 658 HB VAL 89 HB VAL 89 2.536 -8.708 -14.374 659 1HG1 VAL 89 3HG23 VAL 89 4.267 -7.618 -16.639 660 2HG1 VAL 89 1HG21 VAL 89 2.800 -8.599 -16.829 661 3HG1 VAL 89 2HG22 VAL 89 2.687 -6.975 -16.137 662 1HG2 VAL 89 1HG11 VAL 89 5.328 -9.567 -15.237 663 2HG2 VAL 89 3HG13 VAL 89 4.343 -10.292 -13.949 664 3HG2 VAL 89 2HG12 VAL 89 3.828 -10.437 -15.628 665 H LYS 90 HN LYS 90 4.602 -4.957 -14.468 666 HA LYS 90 HA LYS 90 2.688 -3.724 -12.739 667 1HB LYS 90 1HB LYS 90 4.682 -2.613 -13.749 668 2HB LYS 90 2HB LYS 90 3.879 -2.625 -15.322 669 1HG LYS 90 1HG LYS 90 2.087 -1.206 -14.481 670 2HG LYS 90 2HG LYS 90 2.679 -1.343 -12.813 671 1HD LYS 90 1HD LYS 90 4.720 -0.118 -13.360 672 2HD LYS 90 2HD LYS 90 4.289 -0.071 -15.076 673 1HE LYS 90 1HE LYS 90 2.242 1.235 -14.526 674 2HE LYS 90 2HE LYS 90 2.727 1.249 -12.822 675 1HZ LYS 90 3HZ LYS 90 4.743 2.416 -13.516 676 2HZ LYS 90 1HZ LYS 90 4.232 2.394 -15.078 677 3HZ LYS 90 2HZ LYS 90 3.384 3.241 -13.952 678 H ALA 91 HN ALA 91 0.678 -4.603 -12.899 679 HA ALA 91 HA ALA 91 -0.571 -5.257 -15.452 680 1HB ALA 91 2HB ALA 91 -0.847 -6.694 -13.464 681 2HB ALA 91 1HB ALA 91 -1.615 -5.352 -12.584 682 3HB ALA 91 3HB ALA 91 -2.410 -6.051 -14.011 683 H ASP 92 HN ASP 92 -0.794 -2.695 -12.985 684 HA ASP 92 HA ASP 92 -2.297 -1.076 -14.903 685 1HB ASP 92 2HB ASP 92 -3.865 -2.723 -13.520 686 2HB ASP 92 1HB ASP 92 -3.706 -1.505 -12.252 687 H ASP 93 HN ASP 93 -3.018 1.031 -13.867 688 HA ASP 93 HA ASP 93 -1.339 2.124 -11.756 689 1HB ASP 93 1HB ASP 93 0.205 2.330 -13.581 690 2HB ASP 93 2HB ASP 93 -1.069 2.923 -14.675 691 H LEU 94 HN LEU 94 -1.931 4.411 -11.558 692 HA LEU 94 HA LEU 94 -4.285 5.640 -12.521 693 1HB LEU 94 1HB LEU 94 -5.626 3.935 -11.480 694 2HB LEU 94 2HB LEU 94 -4.580 3.905 -10.055 695 HG LEU 94 HG LEU 94 -5.433 6.177 -9.403 696 1HD1 LEU 94 1HD11 LEU 94 -7.286 5.728 -11.788 697 2HD1 LEU 94 3HD13 LEU 94 -7.496 6.999 -10.559 698 3HD1 LEU 94 2HD12 LEU 94 -6.101 7.030 -11.642 699 1HD2 LEU 94 1HD21 LEU 94 -6.431 4.140 -8.477 700 2HD2 LEU 94 3HD23 LEU 94 -7.626 5.425 -8.669 701 3HD2 LEU 94 2HD22 LEU 94 -7.579 4.077 -9.828 702 H VAL 95 HN VAL 95 -4.210 7.809 -11.704 703 HA VAL 95 HA VAL 95 -2.617 8.316 -9.295 704 HB VAL 95 HB VAL 95 -1.302 10.005 -10.306 705 1HG1 VAL 95 2HG22 VAL 95 -0.528 7.634 -10.688 706 2HG1 VAL 95 3HG23 VAL 95 -1.205 7.722 -12.324 707 3HG1 VAL 95 1HG21 VAL 95 0.107 8.809 -11.842 708 1HG2 VAL 95 1HG11 VAL 95 -2.865 9.575 -12.887 709 2HG2 VAL 95 3HG13 VAL 95 -2.866 11.036 -11.871 710 3HG2 VAL 95 2HG12 VAL 95 -1.400 10.567 -12.735 711 H GLY 96 HN GLY 96 -3.396 10.048 -8.107 712 1HA GLY 96 1HA GLY 96 -4.609 12.080 -7.844 713 2HA GLY 96 2HA GLY 96 -5.511 11.761 -9.329 714 H ALA 97 HN ALA 97 -4.917 10.194 -6.210 715 HA ALA 97 HA ALA 97 -6.291 9.172 -4.670 716 1HB ALA 97 1HB ALA 97 -8.044 11.535 -5.507 717 2HB ALA 97 2HB ALA 97 -8.253 10.575 -4.029 718 3HB ALA 97 3HB ALA 97 -6.782 11.529 -4.271 719 H SER 98 HN SER 98 -9.360 10.041 -5.946 720 HA SER 98 HA SER 98 -11.103 8.822 -6.721 721 1HB SER 98 1HB SER 98 -8.979 7.454 -8.434 722 2HB SER 98 2HB SER 98 -10.717 7.582 -8.761 723 HG SER 98 HG SER 98 -8.874 9.761 -8.559 724 H GLN 99 HN GLN 99 -10.699 7.969 -4.365 725 HA GLN 99 HA GLN 99 -9.842 5.419 -3.746 726 1HB GLN 99 2HB GLN 99 -12.261 6.880 -2.586 727 2HB GLN 99 1HB GLN 99 -11.469 5.458 -1.900 728 1HG GLN 99 1HG GLN 99 -10.401 7.040 -0.679 729 2HG GLN 99 2HG GLN 99 -9.273 6.938 -2.027 730 1HE2 GLN 99 1HE21 GLN 99 -11.065 10.455 -1.176 731 2HE2 GLN 99 2HE22 GLN 99 -11.161 9.064 -0.113 732 H ASP 100 HN ASP 100 -12.882 6.307 -5.349 733 HA ASP 100 HA ASP 100 -14.230 3.774 -5.137 734 1HB ASP 100 2HB ASP 100 -15.604 4.647 -6.955 735 2HB ASP 100 1HB ASP 100 -15.369 5.899 -5.730 736 H LYS 101 HN LYS 101 -12.028 5.264 -7.527 737 HA LYS 101 HA LYS 101 -12.110 3.009 -9.324 738 1HB LYS 101 1HB LYS 101 -11.603 5.454 -9.834 739 2HB LYS 101 2HB LYS 101 -9.968 5.164 -9.221 740 1HG LYS 101 1HG LYS 101 -9.574 3.474 -10.921 741 2HG LYS 101 2HG LYS 101 -11.265 3.474 -11.424 742 1HD LYS 101 2HD LYS 101 -9.565 5.986 -11.600 743 2HD LYS 101 1HD LYS 101 -9.591 4.771 -12.892 744 1HE LYS 101 2HE LYS 101 -12.048 5.048 -13.117 745 2HE LYS 101 1HE LYS 101 -12.036 6.284 -11.849 746 1HZ LYS 101 1HZ LYS 101 -10.613 6.457 -14.402 747 2HZ LYS 101 2HZ LYS 101 -12.003 7.247 -14.002 748 3HZ LYS 101 3HZ LYS 101 -10.600 7.599 -13.214 749 H LEU 102 HN LEU 102 -10.001 4.033 -6.615 750 HA LEU 102 HA LEU 102 -8.039 1.978 -6.838 751 1HB LEU 102 1HB LEU 102 -7.628 3.663 -5.221 752 2HB LEU 102 2HB LEU 102 -9.210 3.463 -4.490 753 HG LEU 102 HG LEU 102 -8.574 1.225 -3.611 754 1HD1 LEU 102 2HD22 LEU 102 -6.701 0.734 -5.192 755 2HD1 LEU 102 1HD21 LEU 102 -5.779 2.067 -4.477 756 3HD1 LEU 102 3HD23 LEU 102 -6.199 0.646 -3.497 757 1HD2 LEU 102 1HD11 LEU 102 -8.571 3.296 -2.283 758 2HD2 LEU 102 3HD13 LEU 102 -7.359 2.130 -1.755 759 3HD2 LEU 102 2HD12 LEU 102 -6.868 3.558 -2.711 760 H LYS 103 HN LYS 103 -11.213 1.935 -5.032 761 HA LYS 103 HA LYS 103 -11.080 -0.765 -4.237 762 1HB LYS 103 2HB LYS 103 -13.445 1.012 -4.967 763 2HB LYS 103 1HB LYS 103 -13.600 -0.599 -4.265 764 1HG LYS 103 1HG LYS 103 -12.392 0.051 -2.273 765 2HG LYS 103 2HG LYS 103 -11.999 1.631 -2.959 766 1HD LYS 103 2HD LYS 103 -14.443 2.178 -3.058 767 2HD LYS 103 1HD LYS 103 -14.808 0.597 -2.347 768 1HE LYS 103 2HE LYS 103 -14.880 2.307 -0.610 769 2HE LYS 103 1HE LYS 103 -13.512 1.226 -0.305 770 1HZ LYS 103 1HZ LYS 103 -13.357 3.861 -1.601 771 2HZ LYS 103 3HZ LYS 103 -12.943 3.534 -0.039 772 3HZ LYS 103 2HZ LYS 103 -12.079 2.873 -1.277 773 H ALA 104 HN ALA 104 -12.422 0.638 -7.271 774 HA ALA 104 HA ALA 104 -13.192 -1.788 -8.477 775 1HB ALA 104 2HB ALA 104 -13.733 0.488 -9.341 776 2HB ALA 104 1HB ALA 104 -12.054 0.660 -9.898 777 3HB ALA 104 3HB ALA 104 -13.090 -0.597 -10.589 778 H LEU 105 HN LEU 105 -9.958 -0.160 -8.614 779 HA LEU 105 HA LEU 105 -8.682 -2.015 -10.334 780 1HB LEU 105 2HB LEU 105 -7.581 -0.373 -8.006 781 2HB LEU 105 1HB LEU 105 -6.571 -1.377 -9.022 782 HG LEU 105 HG LEU 105 -8.206 0.950 -10.094 783 1HD1 LEU 105 3HD23 LEU 105 -5.253 0.721 -9.323 784 2HD1 LEU 105 2HD22 LEU 105 -6.017 2.098 -10.130 785 3HD1 LEU 105 1HD21 LEU 105 -6.471 1.687 -8.468 786 1HD2 LEU 105 2HD12 LEU 105 -5.926 -0.702 -11.262 787 2HD2 LEU 105 3HD13 LEU 105 -7.612 -0.704 -11.836 788 3HD2 LEU 105 1HD11 LEU 105 -6.621 0.754 -12.000 789 H VAL 106 HN VAL 106 -8.780 -1.953 -6.714 790 HA VAL 106 HA VAL 106 -7.276 -4.355 -6.463 791 HB VAL 106 HB VAL 106 -9.380 -3.321 -4.509 792 1HG1 VAL 106 1HG21 VAL 106 -8.554 -5.671 -4.088 793 2HG1 VAL 106 3HG23 VAL 106 -6.895 -5.073 -4.159 794 3HG1 VAL 106 2HG22 VAL 106 -7.977 -4.528 -2.866 795 1HG2 VAL 106 3HG13 VAL 106 -6.390 -2.740 -4.745 796 2HG2 VAL 106 2HG12 VAL 106 -7.683 -1.561 -4.978 797 3HG2 VAL 106 1HG11 VAL 106 -7.426 -2.256 -3.383 798 H ALA 107 HN ALA 107 -10.800 -3.865 -6.553 799 HA ALA 107 HA ALA 107 -11.590 -6.567 -6.288 800 1HB ALA 107 1HB ALA 107 -13.178 -4.687 -6.266 801 2HB ALA 107 3HB ALA 107 -12.890 -4.390 -7.992 802 3HB ALA 107 2HB ALA 107 -13.656 -5.903 -7.466 803 H LYS 108 HN LYS 108 -11.026 -4.761 -9.334 804 HA LYS 108 HA LYS 108 -11.356 -6.792 -11.212 805 1HB LYS 108 1HB LYS 108 -11.078 -4.480 -11.838 806 2HB LYS 108 2HB LYS 108 -9.535 -4.351 -11.059 807 1HG LYS 108 1HG LYS 108 -9.369 -4.343 -13.502 808 2HG LYS 108 2HG LYS 108 -8.376 -5.558 -12.708 809 1HD LYS 108 1HD LYS 108 -9.389 -6.383 -14.777 810 2HD LYS 108 2HD LYS 108 -9.839 -7.347 -13.382 811 1HE LYS 108 2HE LYS 108 -12.061 -6.130 -13.314 812 2HE LYS 108 1HE LYS 108 -11.551 -5.176 -14.717 813 1HZ LYS 108 2HZ LYS 108 -11.415 -7.216 -15.957 814 2HZ LYS 108 1HZ LYS 108 -11.877 -8.094 -14.640 815 3HZ LYS 108 3HZ LYS 108 -12.924 -7.022 -15.323 816 H HIS 109 HN HIS 109 -8.276 -5.667 -9.890 817 HA HIS 109 HA HIS 109 -6.800 -7.837 -11.079 818 1HB HIS 109 1HB HIS 109 -5.998 -5.782 -8.991 819 2HB HIS 109 2HB HIS 109 -4.889 -6.877 -9.844 820 HD2 HIS 109 HD2 HIS 109 -6.388 -3.424 -10.393 821 HE1 HIS 109 HE1 HIS 109 -5.500 -4.874 -14.243 822 HE2 HIS 109 HE2 HIS 109 -6.201 -2.819 -12.938 823 H ALA 110 HN ALA 110 -8.426 -7.650 -7.946 824 HA ALA 110 HA ALA 110 -7.019 -9.955 -6.845 825 1HB ALA 110 1HB ALA 110 -9.757 -8.774 -6.197 826 2HB ALA 110 2HB ALA 110 -8.910 -10.024 -5.263 827 3HB ALA 110 3HB ALA 110 -8.224 -8.393 -5.375 828 H ALA 111 HN ALA 111 -10.050 -9.391 -8.702 829 HA ALA 111 HA ALA 111 -10.545 -12.295 -8.957 830 1HB ALA 111 3HB ALA 111 -12.405 -10.698 -8.613 831 2HB ALA 111 1HB ALA 111 -11.969 -9.865 -10.121 832 3HB ALA 111 2HB ALA 111 -12.545 -11.546 -10.165 833 H ALA 112 HN ALA 112 -8.034 -12.018 -9.959 834 HA ALA 112 HA ALA 112 -8.257 -12.683 -12.709 835 1HB ALA 112 1HB ALA 112 -6.926 -10.023 -12.008 836 2HB ALA 112 2HB ALA 112 -6.841 -10.839 -13.583 837 3HB ALA 112 3HB ALA 112 -8.389 -10.202 -13.000 No H/Q in entry = 837 Start of MODEL 15 1 1H GLY 1 2HN GLY 1 -1.831 -6.232 8.362 2 2H GLY 1 1HN GLY 1 -1.534 -4.972 9.426 3 3H GLY 1 3HN GLY 1 -0.931 -4.958 7.874 4 1HA GLY 1 1HA GLY 1 0.875 -5.517 9.174 5 2HA GLY 1 2HA GLY 1 -0.088 -6.771 9.989 6 H GLY 2 HN GLY 2 2.292 -7.543 8.747 7 1HA GLY 2 1HA GLY 2 3.147 -9.077 7.299 8 2HA GLY 2 2HA GLY 2 1.496 -9.715 7.169 9 H SER 3 HN SER 3 0.417 -9.463 5.195 10 HA SER 3 HA SER 3 1.849 -8.401 2.932 11 1HB SER 3 1HB SER 3 -0.549 -9.031 1.966 12 2HB SER 3 2HB SER 3 0.616 -10.271 2.476 13 HG SER 3 HG SER 3 -1.387 -10.714 3.408 14 H VAL 4 HN VAL 4 -0.371 -7.076 5.266 15 HA VAL 4 HA VAL 4 -1.029 -4.745 3.515 16 HB VAL 4 HB VAL 4 -2.209 -5.868 6.093 17 1HG1 VAL 4 1HG21 VAL 4 -2.656 -3.188 4.764 18 2HG1 VAL 4 3HG23 VAL 4 -3.909 -3.961 5.767 19 3HG1 VAL 4 2HG22 VAL 4 -2.345 -3.534 6.466 20 1HG2 VAL 4 2HG12 VAL 4 -2.904 -6.998 4.008 21 2HG2 VAL 4 3HG13 VAL 4 -4.236 -6.121 4.775 22 3HG2 VAL 4 1HG11 VAL 4 -3.429 -5.435 3.352 23 H ILE 5 HN ILE 5 0.724 -3.235 3.666 24 HA ILE 5 HA ILE 5 1.445 -2.482 6.458 25 HB ILE 5 HB ILE 5 3.837 -2.193 5.515 26 1HG1 ILE 5 2HG12 ILE 5 2.892 -4.394 3.657 27 2HG1 ILE 5 1HG11 ILE 5 3.065 -2.722 3.111 28 1HG2 ILE 5 3HG23 ILE 5 3.132 -3.813 7.266 29 2HG2 ILE 5 2HG22 ILE 5 2.745 -4.998 6.007 30 3HG2 ILE 5 1HG21 ILE 5 4.417 -4.466 6.258 31 1HD1 ILE 5 3HD13 ILE 5 5.421 -4.178 4.341 32 2HD1 ILE 5 1HD11 ILE 5 5.009 -4.330 2.631 33 3HD1 ILE 5 2HD12 ILE 5 5.400 -2.747 3.296 34 H VAL 6 HN VAL 6 2.003 -0.484 6.790 35 HA VAL 6 HA VAL 6 1.483 1.522 4.676 36 HB VAL 6 HB VAL 6 1.074 1.965 7.655 37 1HG1 VAL 6 3HG23 VAL 6 -0.037 3.363 5.168 38 2HG1 VAL 6 2HG22 VAL 6 -0.466 3.756 6.842 39 3HG1 VAL 6 1HG21 VAL 6 1.173 4.042 6.274 40 1HG2 VAL 6 2HG12 VAL 6 -0.961 1.015 5.600 41 2HG2 VAL 6 1HG11 VAL 6 -0.455 0.140 7.066 42 3HG2 VAL 6 3HG13 VAL 6 -1.370 1.638 7.212 43 H ILE 7 HN ILE 7 3.945 0.095 5.397 44 HA ILE 7 HA ILE 7 5.699 2.033 6.757 45 HB ILE 7 HB ILE 7 5.770 -0.510 7.031 46 1HG1 ILE 7 2HG12 ILE 7 8.393 0.741 6.105 47 2HG1 ILE 7 1HG11 ILE 7 7.645 0.986 7.695 48 1HG2 ILE 7 2HG22 ILE 7 5.521 -0.871 4.481 49 2HG2 ILE 7 3HG23 ILE 7 7.245 -0.494 4.365 50 3HG2 ILE 7 1HG21 ILE 7 6.696 -1.887 5.321 51 1HD1 ILE 7 2HD12 ILE 7 7.726 -1.496 8.073 52 2HD1 ILE 7 3HD13 ILE 7 8.613 -1.667 6.543 53 3HD1 ILE 7 1HD11 ILE 7 9.324 -0.752 7.877 54 H ASP 8 HN ASP 8 7.753 2.648 5.456 55 HA ASP 8 HA ASP 8 6.922 3.714 2.846 56 1HB ASP 8 1HB ASP 8 8.148 5.158 4.474 57 2HB ASP 8 2HB ASP 8 9.548 4.074 4.356 58 H SER 9 HN SER 9 6.619 1.699 2.121 59 HA SER 9 HA SER 9 8.253 -0.524 2.079 60 1HB SER 9 2HB SER 9 6.293 0.195 -0.100 61 2HB SER 9 1HB SER 9 6.777 -1.415 0.459 62 HG SER 9 HG SER 9 5.350 0.554 1.986 63 H LYS 10 HN LYS 10 10.327 0.657 1.576 64 HA LYS 10 HA LYS 10 11.087 0.413 -1.298 65 1HB LYS 10 2HB LYS 10 12.082 2.223 -0.108 66 2HB LYS 10 1HB LYS 10 12.337 1.197 1.287 67 1HG LYS 10 2HG LYS 10 14.445 1.824 0.020 68 2HG LYS 10 1HG LYS 10 14.234 0.088 0.218 69 1HD LYS 10 2HD LYS 10 13.318 -0.041 -2.144 70 2HD LYS 10 1HD LYS 10 13.556 1.702 -2.288 71 1HE LYS 10 1HE LYS 10 15.396 0.558 -3.353 72 2HE LYS 10 2HE LYS 10 16.010 1.375 -1.907 73 1HZ LYS 10 3HZ LYS 10 15.305 -1.476 -2.102 74 2HZ LYS 10 2HZ LYS 10 16.833 -0.862 -2.139 75 3HZ LYS 10 1HZ LYS 10 15.927 -0.728 -0.771 76 H ALA 11 HN ALA 11 12.378 -0.800 1.742 77 HA ALA 11 HA ALA 11 13.450 -3.243 0.559 78 1HB ALA 11 1HB ALA 11 13.137 -2.414 3.484 79 2HB ALA 11 2HB ALA 11 14.083 -3.793 2.882 80 3HB ALA 11 3HB ALA 11 14.561 -2.137 2.456 81 H ALA 12 HN ALA 12 10.829 -2.497 2.870 82 HA ALA 12 HA ALA 12 9.766 -5.064 3.211 83 1HB ALA 12 3HB ALA 12 9.128 -3.007 4.501 84 2HB ALA 12 2HB ALA 12 8.181 -2.465 3.098 85 3HB ALA 12 1HB ALA 12 7.745 -3.962 3.937 86 H TRP 13 HN TRP 13 9.282 -2.716 0.593 87 HA TRP 13 HA TRP 13 7.175 -3.892 -0.843 88 1HB TRP 13 2HB TRP 13 7.755 -1.919 -1.728 89 2HB TRP 13 1HB TRP 13 9.464 -2.069 -1.377 90 HD1 TRP 13 HD1 TRP 13 10.781 -3.799 -3.301 91 HE1 TRP 13 HE1 TRP 13 10.658 -3.553 -5.836 92 HE3 TRP 13 HE3 TRP 13 6.648 -0.818 -3.619 93 HZ2 TRP 13 HZ2 TRP 13 9.108 -2.134 -7.739 94 HZ3 TRP 13 HZ3 TRP 13 6.067 0.202 -5.807 95 HH2 TRP 13 HH2 TRP 13 7.196 -0.540 -7.884 96 H ASP 14 HN ASP 14 10.678 -4.603 -1.036 97 HA ASP 14 HA ASP 14 10.374 -6.691 -2.997 98 1HB ASP 14 2HB ASP 14 12.491 -5.381 -2.424 99 2HB ASP 14 1HB ASP 14 12.614 -6.351 -0.962 100 H ALA 15 HN ALA 15 10.864 -6.681 0.500 101 HA ALA 15 HA ALA 15 10.933 -9.464 0.963 102 1HB ALA 15 3HB ALA 15 11.437 -7.798 2.703 103 2HB ALA 15 1HB ALA 15 9.728 -7.331 2.776 104 3HB ALA 15 2HB ALA 15 10.220 -8.961 3.268 105 H GLN 16 HN GLN 16 8.038 -7.412 1.353 106 HA GLN 16 HA GLN 16 6.122 -9.489 1.538 107 1HB GLN 16 1HB GLN 16 6.016 -6.552 0.856 108 2HB GLN 16 2HB GLN 16 4.635 -7.566 0.465 109 1HG GLN 16 2HG GLN 16 4.170 -6.692 2.551 110 2HG GLN 16 1HG GLN 16 4.525 -8.394 2.795 111 1HE2 GLN 16 1HE21 GLN 16 6.169 -6.502 5.558 112 2HE2 GLN 16 2HE22 GLN 16 4.526 -6.870 5.029 113 H LEU 17 HN LEU 17 7.219 -7.670 -1.374 114 HA LEU 17 HA LEU 17 5.632 -8.949 -3.266 115 1HB LEU 17 1HB LEU 17 7.027 -7.099 -3.816 116 2HB LEU 17 2HB LEU 17 8.521 -7.962 -3.447 117 HG LEU 17 HG LEU 17 6.727 -9.011 -5.621 118 1HD1 LEU 17 2HD22 LEU 17 8.620 -6.647 -5.918 119 2HD1 LEU 17 1HD21 LEU 17 7.815 -7.502 -7.252 120 3HD1 LEU 17 3HD23 LEU 17 6.850 -6.597 -6.077 121 1HD2 LEU 17 3HD13 LEU 17 9.761 -8.860 -5.296 122 2HD2 LEU 17 1HD11 LEU 17 8.772 -10.318 -5.096 123 3HD2 LEU 17 2HD12 LEU 17 8.910 -9.569 -6.682 124 H ALA 18 HN ALA 18 8.780 -10.117 -2.007 125 HA ALA 18 HA ALA 18 8.816 -12.492 -3.579 126 1HB ALA 18 3HB ALA 18 10.799 -11.525 -2.511 127 2HB ALA 18 1HB ALA 18 10.145 -11.881 -0.901 128 3HB ALA 18 2HB ALA 18 10.563 -13.211 -2.003 129 H LYS 19 HN LYS 19 8.059 -12.203 -0.024 130 HA LYS 19 HA LYS 19 7.215 -14.943 0.101 131 1HB LYS 19 2HB LYS 19 6.344 -14.447 2.300 132 2HB LYS 19 1HB LYS 19 7.946 -13.738 2.072 133 1HG LYS 19 2HG LYS 19 6.881 -11.535 1.689 134 2HG LYS 19 1HG LYS 19 5.283 -12.237 1.983 135 1HD LYS 19 1HD LYS 19 5.944 -12.855 4.267 136 2HD LYS 19 2HD LYS 19 7.605 -12.301 3.974 137 1HE LYS 19 1HE LYS 19 6.833 -9.989 3.674 138 2HE LYS 19 2HE LYS 19 5.141 -10.502 3.885 139 1HZ LYS 19 1HZ LYS 19 7.272 -10.701 5.893 140 2HZ LYS 19 3HZ LYS 19 6.064 -9.581 5.868 141 3HZ LYS 19 2HZ LYS 19 5.706 -11.172 6.104 142 H GLY 20 HN GLY 20 5.472 -12.068 -0.921 143 1HA GLY 20 1HA GLY 20 2.810 -13.020 -0.629 144 2HA GLY 20 2HA GLY 20 3.393 -11.765 -1.739 145 H LYS 21 HN LYS 21 5.368 -13.799 -2.962 146 HA LYS 21 HA LYS 21 5.402 -14.988 -4.905 147 1HB LYS 21 1HB LYS 21 3.182 -16.471 -3.441 148 2HB LYS 21 2HB LYS 21 4.059 -17.088 -4.848 149 1HG LYS 21 1HG LYS 21 6.194 -16.949 -3.640 150 2HG LYS 21 2HG LYS 21 5.393 -16.323 -2.205 151 1HD LYS 21 2HD LYS 21 4.861 -19.047 -3.484 152 2HD LYS 21 1HD LYS 21 5.908 -18.771 -2.088 153 1HE LYS 21 1HE LYS 21 2.891 -18.271 -2.177 154 2HE LYS 21 2HE LYS 21 3.717 -19.612 -1.384 155 1HZ LYS 21 2HZ LYS 21 4.794 -18.049 0.055 156 2HZ LYS 21 3HZ LYS 21 4.038 -16.777 -0.661 157 3HZ LYS 21 1HZ LYS 21 3.157 -17.901 0.156 158 H GLU 22 HN GLU 22 4.577 -12.934 -5.791 159 HA GLU 22 HA GLU 22 1.850 -12.579 -6.610 160 1HB GLU 22 1HB GLU 22 2.997 -10.720 -8.025 161 2HB GLU 22 2HB GLU 22 2.974 -10.639 -6.286 162 1HG GLU 22 1HG GLU 22 5.102 -9.917 -7.310 163 2HG GLU 22 2HG GLU 22 5.306 -11.149 -6.080 164 H GLU 23 HN GLU 23 2.396 -15.137 -7.525 165 HA GLU 23 HA GLU 23 3.078 -15.100 -10.336 166 1HB GLU 23 2HB GLU 23 2.176 -17.218 -10.533 167 2HB GLU 23 1HB GLU 23 3.082 -17.201 -9.015 168 1HG GLU 23 1HG GLU 23 0.049 -17.249 -9.428 169 2HG GLU 23 2HG GLU 23 1.069 -18.589 -8.939 170 H HIS 24 HN HIS 24 0.002 -15.065 -8.584 171 HA HIS 24 HA HIS 24 -1.056 -13.199 -10.629 172 1HB HIS 24 2HB HIS 24 -3.114 -14.401 -10.865 173 2HB HIS 24 1HB HIS 24 -1.866 -15.639 -11.003 174 HD2 HIS 24 HD2 HIS 24 -4.718 -14.462 -8.583 175 HE1 HIS 24 HE1 HIS 24 -3.173 -18.102 -7.086 176 HE2 HIS 24 HE2 HIS 24 -5.018 -16.323 -6.797 177 H LYS 25 HN LYS 25 -0.177 -13.215 -7.674 178 HA LYS 25 HA LYS 25 -2.635 -12.201 -6.387 179 1HB LYS 25 2HB LYS 25 0.137 -12.037 -5.176 180 2HB LYS 25 1HB LYS 25 -1.424 -11.945 -4.374 181 1HG LYS 25 2HG LYS 25 -0.064 -14.362 -5.578 182 2HG LYS 25 1HG LYS 25 -0.416 -14.067 -3.892 183 1HD LYS 25 1HD LYS 25 -2.476 -14.652 -6.080 184 2HD LYS 25 2HD LYS 25 -1.925 -15.743 -4.808 185 1HE LYS 25 2HE LYS 25 -2.802 -14.019 -3.109 186 2HE LYS 25 1HE LYS 25 -3.571 -13.198 -4.480 187 1HZ LYS 25 1HZ LYS 25 -4.050 -15.992 -3.744 188 2HZ LYS 25 2HZ LYS 25 -5.013 -14.721 -3.342 189 3HZ LYS 25 3HZ LYS 25 -4.840 -15.142 -4.917 190 HA PRO 26 HA PRO 26 -1.447 -8.099 -7.849 191 1HB PRO 26 2HB PRO 26 -3.424 -6.571 -6.758 192 2HB PRO 26 1HB PRO 26 -3.711 -7.685 -8.117 193 1HG PRO 26 1HG PRO 26 -4.110 -8.226 -5.188 194 2HG PRO 26 2HG PRO 26 -5.343 -8.441 -6.448 195 1HD PRO 26 2HD PRO 26 -3.773 -10.463 -5.452 196 2HD PRO 26 1HD PRO 26 -4.122 -10.428 -7.204 197 H ILE 27 HN ILE 27 0.327 -7.071 -7.056 198 HA ILE 27 HA ILE 27 0.396 -6.375 -4.167 199 HB ILE 27 HB ILE 27 2.504 -6.040 -6.318 200 1HG1 ILE 27 1HG11 ILE 27 2.384 -8.102 -4.078 201 2HG1 ILE 27 2HG12 ILE 27 2.012 -8.444 -5.773 202 1HG2 ILE 27 2HG22 ILE 27 2.555 -4.409 -4.369 203 2HG2 ILE 27 3HG23 ILE 27 2.734 -5.804 -3.290 204 3HG2 ILE 27 1HG21 ILE 27 3.981 -5.419 -4.498 205 1HD1 ILE 27 1HD11 ILE 27 4.698 -7.434 -4.755 206 2HD1 ILE 27 2HD12 ILE 27 4.296 -9.084 -5.215 207 3HD1 ILE 27 3HD13 ILE 27 4.279 -7.795 -6.444 208 H VAL 28 HN VAL 28 -0.912 -4.654 -3.855 209 HA VAL 28 HA VAL 28 -1.206 -2.580 -5.955 210 HB VAL 28 HB VAL 28 -2.684 -3.001 -3.333 211 1HG1 VAL 28 3HG13 VAL 28 -3.249 -1.192 -5.735 212 2HG1 VAL 28 2HG12 VAL 28 -4.299 -1.392 -4.319 213 3HG1 VAL 28 1HG11 VAL 28 -2.702 -0.640 -4.143 214 1HG2 VAL 28 2HG22 VAL 28 -3.073 -4.838 -5.011 215 2HG2 VAL 28 1HG21 VAL 28 -4.500 -3.870 -4.663 216 3HG2 VAL 28 3HG23 VAL 28 -3.601 -3.612 -6.176 217 H VAL 29 HN VAL 29 0.341 -1.029 -5.827 218 HA VAL 29 HA VAL 29 1.353 -0.302 -3.094 219 HB VAL 29 HB VAL 29 3.094 -1.291 -4.418 220 1HG1 VAL 29 1HG11 VAL 29 2.269 -0.675 -6.687 221 2HG1 VAL 29 3HG13 VAL 29 2.788 0.998 -6.379 222 3HG1 VAL 29 2HG12 VAL 29 3.976 -0.316 -6.414 223 1HG2 VAL 29 1HG21 VAL 29 3.467 0.606 -2.774 224 2HG2 VAL 29 2HG22 VAL 29 4.717 0.460 -4.011 225 3HG2 VAL 29 3HG23 VAL 29 3.492 1.729 -4.146 226 H ASP 30 HN ASP 30 0.868 1.552 -2.321 227 HA ASP 30 HA ASP 30 -0.372 3.664 -3.997 228 1HB ASP 30 1HB ASP 30 -1.517 3.017 -1.976 229 2HB ASP 30 2HB ASP 30 -0.064 3.262 -0.996 230 H PHE 31 HN PHE 31 1.286 4.719 -5.067 231 HA PHE 31 HA PHE 31 3.682 5.656 -3.581 232 1HB PHE 31 1HB PHE 31 2.767 6.040 -6.452 233 2HB PHE 31 2HB PHE 31 4.191 6.754 -5.740 234 HD1 PHE 31 HD2 PHE 31 6.146 5.392 -5.067 235 HD2 PHE 31 HD1 PHE 31 2.764 3.674 -7.119 236 HE1 PHE 31 HE2 PHE 31 7.623 3.674 -6.058 237 HE2 PHE 31 HE1 PHE 31 4.271 2.016 -8.182 238 HZ PHE 31 HZ PHE 31 6.697 2.031 -7.693 239 H THR 32 HN THR 32 2.927 7.114 -2.101 240 HA THR 32 HA THR 32 1.448 9.539 -3.068 241 HB THR 32 HB THR 32 -0.166 8.112 -1.954 242 HG1 THR 32 HG1 THR 32 -0.275 10.340 -1.591 243 1HG2 THR 32 3HG23 THR 32 1.661 8.210 0.497 244 2HG2 THR 32 1HG21 THR 32 0.007 7.573 0.422 245 3HG2 THR 32 2HG22 THR 32 1.303 6.759 -0.472 246 H ALA 33 HN ALA 33 1.707 10.585 -0.270 247 HA ALA 33 HA ALA 33 4.384 10.351 0.582 248 1HB ALA 33 2HB ALA 33 3.804 12.939 -0.951 249 2HB ALA 33 3HB ALA 33 5.211 12.632 0.085 250 3HB ALA 33 1HB ALA 33 5.005 11.711 -1.396 251 H THR 34 HN THR 34 4.923 11.787 2.348 252 HA THR 34 HA THR 34 2.768 12.168 4.187 253 HB THR 34 HB THR 34 4.728 13.438 5.388 254 HG1 THR 34 HG1 THR 34 6.338 12.129 3.478 255 1HG2 THR 34 3HG23 THR 34 5.021 10.515 4.536 256 2HG2 THR 34 1HG21 THR 34 5.923 11.294 5.855 257 3HG2 THR 34 2HG22 THR 34 4.158 11.131 5.957 258 H TRP 35 HN TRP 35 4.981 14.488 2.734 259 HA TRP 35 HA TRP 35 3.953 16.853 3.623 260 1HB TRP 35 2HB TRP 35 5.114 17.920 1.766 261 2HB TRP 35 1HB TRP 35 6.073 16.622 2.464 262 HD1 TRP 35 HD1 TRP 35 6.696 14.588 0.913 263 HE1 TRP 35 HE1 TRP 35 6.511 14.156 -1.633 264 HE3 TRP 35 HE3 TRP 35 3.592 18.459 -0.397 265 HZ2 TRP 35 HZ2 TRP 35 5.159 15.266 -3.880 266 HZ3 TRP 35 HZ3 TRP 35 2.882 18.739 -2.750 267 HH2 TRP 35 HH2 TRP 35 3.634 17.136 -4.493 268 H CYS 36 HN CYS 36 2.529 15.052 0.879 269 HA CYS 36 HA CYS 36 0.986 17.384 -0.008 270 1HB CYS 36 1HB CYS 36 -0.050 15.790 -1.601 271 2HB CYS 36 2HB CYS 36 1.688 15.971 -1.699 272 H GLY 37 HN GLY 37 0.378 17.393 2.452 273 1HA GLY 37 1HA GLY 37 -1.126 16.830 4.182 274 2HA GLY 37 2HA GLY 37 -2.000 17.907 3.093 275 HA PRO 38 HA PRO 38 -5.437 15.116 2.778 276 1HB PRO 38 1HB PRO 38 -4.857 15.166 -0.205 277 2HB PRO 38 2HB PRO 38 -6.451 15.206 0.608 278 1HG PRO 38 1HG PRO 38 -5.340 17.527 -0.221 279 2HG PRO 38 2HG PRO 38 -6.036 17.436 1.425 280 1HD PRO 38 2HD PRO 38 -3.133 17.299 0.613 281 2HD PRO 38 1HD PRO 38 -3.896 18.133 1.997 282 H CYS 39 HN CYS 39 -2.592 14.234 0.868 283 HA CYS 39 HA CYS 39 -2.891 11.528 0.323 284 1HB CYS 39 2HB CYS 39 -0.517 13.154 1.305 285 2HB CYS 39 1HB CYS 39 -0.401 11.483 0.799 286 H LYS 40 HN LYS 40 -1.934 13.059 3.413 287 HA LYS 40 HA LYS 40 -1.346 10.614 4.785 288 1HB LYS 40 2HB LYS 40 -0.510 12.949 5.304 289 2HB LYS 40 1HB LYS 40 -2.120 13.340 5.930 290 1HG LYS 40 1HG LYS 40 -1.875 11.587 7.664 291 2HG LYS 40 2HG LYS 40 -0.303 11.121 6.981 292 1HD LYS 40 1HD LYS 40 0.575 13.399 7.455 293 2HD LYS 40 2HD LYS 40 -1.002 13.870 8.120 294 1HE LYS 40 1HE LYS 40 -0.787 12.112 9.872 295 2HE LYS 40 2HE LYS 40 0.789 11.641 9.207 296 1HZ LYS 40 1HZ LYS 40 1.583 13.836 9.707 297 2HZ LYS 40 3HZ LYS 40 0.118 14.273 10.325 298 3HZ LYS 40 2HZ LYS 40 1.010 13.103 11.067 299 H MET 41 HN MET 41 -4.354 12.205 4.000 300 HA MET 41 HA MET 41 -5.915 10.819 6.102 301 1HB MET 41 2HB MET 41 -6.856 12.674 3.873 302 2HB MET 41 1HB MET 41 -7.771 12.125 5.278 303 1HG MET 41 2HG MET 41 -6.223 13.337 6.774 304 2HG MET 41 1HG MET 41 -5.282 13.888 5.377 305 1HE MET 41 3HE MET 41 -6.283 15.849 7.582 306 2HE MET 41 1HE MET 41 -5.366 16.350 6.138 307 3HE MET 41 2HE MET 41 -6.869 17.196 6.577 308 H ILE 42 HN ILE 42 -5.331 10.897 2.616 309 HA ILE 42 HA ILE 42 -7.221 8.883 1.853 310 HB ILE 42 HB ILE 42 -4.620 9.854 0.607 311 1HG1 ILE 42 2HG12 ILE 42 -7.442 10.314 -0.410 312 2HG1 ILE 42 1HG11 ILE 42 -6.822 11.336 0.886 313 1HG2 ILE 42 1HG21 ILE 42 -6.731 7.966 -0.535 314 2HG2 ILE 42 2HG22 ILE 42 -5.478 8.759 -1.505 315 3HG2 ILE 42 3HG23 ILE 42 -5.014 7.602 -0.263 316 1HD1 ILE 42 1HD11 ILE 42 -5.358 10.990 -1.747 317 2HD1 ILE 42 3HD13 ILE 42 -6.486 12.315 -1.377 318 3HD1 ILE 42 2HD12 ILE 42 -4.992 12.129 -0.450 319 H ALA 43 HN ALA 43 -3.756 8.678 2.833 320 HA ALA 43 HA ALA 43 -3.314 5.992 2.401 321 1HB ALA 43 2HB ALA 43 -2.295 7.837 4.599 322 2HB ALA 43 3HB ALA 43 -1.739 6.151 4.418 323 3HB ALA 43 1HB ALA 43 -1.515 7.324 3.108 324 HA PRO 44 HA PRO 44 -5.447 4.817 6.737 325 1HB PRO 44 2HB PRO 44 -7.419 7.114 6.505 326 2HB PRO 44 1HB PRO 44 -6.970 6.193 7.968 327 1HG PRO 44 1HG PRO 44 -5.854 8.620 7.356 328 2HG PRO 44 2HG PRO 44 -4.886 7.317 8.108 329 1HD PRO 44 2HD PRO 44 -4.753 8.324 5.319 330 2HD PRO 44 1HD PRO 44 -3.570 7.419 6.291 331 H LEU 45 HN LEU 45 -7.314 6.414 4.133 332 HA LEU 45 HA LEU 45 -9.528 4.552 4.152 333 1HB LEU 45 1HB LEU 45 -8.443 6.204 1.815 334 2HB LEU 45 2HB LEU 45 -9.983 5.398 1.887 335 HG LEU 45 HG LEU 45 -9.019 7.783 3.540 336 1HD1 LEU 45 3HD13 LEU 45 -9.768 8.226 1.228 337 2HD1 LEU 45 2HD12 LEU 45 -11.333 7.464 1.607 338 3HD1 LEU 45 1HD11 LEU 45 -10.845 8.962 2.430 339 1HD2 LEU 45 1HD21 LEU 45 -11.625 6.217 3.840 340 2HD2 LEU 45 3HD23 LEU 45 -10.372 6.448 5.084 341 3HD2 LEU 45 2HD22 LEU 45 -11.328 7.825 4.533 342 H PHE 46 HN PHE 46 -6.555 4.820 2.231 343 HA PHE 46 HA PHE 46 -6.925 2.440 0.697 344 1HB PHE 46 1HB PHE 46 -5.380 4.158 0.091 345 2HB PHE 46 2HB PHE 46 -4.444 3.961 1.566 346 HD1 PHE 46 HD2 PHE 46 -5.661 1.642 -1.163 347 HD2 PHE 46 HD1 PHE 46 -2.427 2.817 1.425 348 HE1 PHE 46 HE2 PHE 46 -4.129 0.133 -2.385 349 HE2 PHE 46 HE1 PHE 46 -0.963 1.125 0.360 350 HZ PHE 46 HZ PHE 46 -1.735 -0.078 -1.669 351 H GLU 47 HN GLU 47 -5.357 2.943 3.906 352 HA GLU 47 HA GLU 47 -4.531 0.248 4.232 353 1HB GLU 47 2HB GLU 47 -3.618 1.977 5.637 354 2HB GLU 47 1HB GLU 47 -5.220 2.437 6.223 355 1HG GLU 47 2HG GLU 47 -3.992 1.238 7.935 356 2HG GLU 47 1HG GLU 47 -5.447 0.363 7.479 357 H THR 48 HN THR 48 -7.622 1.902 4.995 358 HA THR 48 HA THR 48 -8.873 -0.309 6.287 359 HB THR 48 HB THR 48 -10.242 1.775 4.521 360 HG1 THR 48 HG1 THR 48 -8.876 2.736 6.132 361 1HG2 THR 48 1HG21 THR 48 -11.198 0.176 6.934 362 2HG2 THR 48 3HG23 THR 48 -12.119 1.428 6.078 363 3HG2 THR 48 2HG22 THR 48 -11.707 -0.086 5.250 364 H LEU 49 HN LEU 49 -8.826 0.677 2.812 365 HA LEU 49 HA LEU 49 -10.212 -1.596 1.821 366 1HB LEU 49 1HB LEU 49 -9.663 0.547 0.569 367 2HB LEU 49 2HB LEU 49 -7.995 -0.031 0.433 368 HG LEU 49 HG LEU 49 -8.891 -2.041 -0.817 369 1HD1 LEU 49 1HD21 LEU 49 -11.458 -0.379 -0.652 370 2HD1 LEU 49 2HD22 LEU 49 -11.199 -1.662 -1.836 371 3HD1 LEU 49 3HD23 LEU 49 -11.235 -2.062 -0.119 372 1HD2 LEU 49 3HD13 LEU 49 -7.886 -0.062 -1.923 373 2HD2 LEU 49 2HD12 LEU 49 -9.154 -0.806 -2.902 374 3HD2 LEU 49 1HD11 LEU 49 -9.492 0.695 -2.013 375 H SER 50 HN SER 50 -6.784 -1.060 2.617 376 HA SER 50 HA SER 50 -5.768 -3.387 1.469 377 1HB SER 50 1HB SER 50 -4.695 -2.056 3.981 378 2HB SER 50 2HB SER 50 -3.868 -3.179 2.914 379 HG SER 50 HG SER 50 -4.908 -0.744 1.926 380 H ASN 51 HN ASN 51 -7.085 -2.802 4.715 381 HA ASN 51 HA ASN 51 -6.702 -5.512 5.649 382 1HB ASN 51 2HB ASN 51 -8.518 -3.258 6.582 383 2HB ASN 51 1HB ASN 51 -8.514 -4.867 7.312 384 1HD2 ASN 51 2HD22 ASN 51 -5.234 -2.421 7.883 385 2HD2 ASN 51 1HD21 ASN 51 -6.397 -2.052 6.621 386 H ASP 52 HN ASP 52 -9.455 -3.801 4.077 387 HA ASP 52 HA ASP 52 -11.393 -5.766 4.162 388 1HB ASP 52 1HB ASP 52 -11.738 -3.533 3.170 389 2HB ASP 52 2HB ASP 52 -10.757 -3.990 1.767 390 H TYR 53 HN TYR 53 -8.828 -5.563 1.601 391 HA TYR 53 HA TYR 53 -9.542 -8.381 0.806 392 1HB TYR 53 2HB TYR 53 -7.680 -6.466 -0.573 393 2HB TYR 53 1HB TYR 53 -8.282 -7.997 -1.167 394 HD1 TYR 53 HD2 TYR 53 -10.483 -8.232 -2.146 395 HD2 TYR 53 HD1 TYR 53 -8.994 -4.431 -0.789 396 HE1 TYR 53 HE2 TYR 53 -11.733 -7.091 -3.941 397 HE2 TYR 53 HE1 TYR 53 -10.045 -3.334 -2.724 398 HH TYR 53 HH TYR 53 -11.458 -3.665 -4.701 399 H ALA 54 HN ALA 54 -8.032 -7.826 3.355 400 HA ALA 54 HA ALA 54 -5.274 -8.122 3.041 401 1HB ALA 54 2HB ALA 54 -7.107 -9.278 5.195 402 2HB ALA 54 3HB ALA 54 -5.338 -9.163 5.323 403 3HB ALA 54 1HB ALA 54 -6.307 -7.690 5.214 404 H GLY 55 HN GLY 55 -3.843 -9.911 3.104 405 1HA GLY 55 1HA GLY 55 -3.121 -12.091 2.823 406 2HA GLY 55 2HA GLY 55 -4.793 -12.663 2.942 407 H LYS 56 HN LYS 56 -6.183 -11.750 0.972 408 HA LYS 56 HA LYS 56 -5.316 -13.095 -1.386 409 1HB LYS 56 2HB LYS 56 -7.388 -10.910 -0.883 410 2HB LYS 56 1HB LYS 56 -7.160 -11.636 -2.467 411 1HG LYS 56 2HG LYS 56 -7.949 -13.133 0.072 412 2HG LYS 56 1HG LYS 56 -9.050 -12.610 -1.200 413 1HD LYS 56 1HD LYS 56 -6.883 -14.741 -1.396 414 2HD LYS 56 2HD LYS 56 -8.625 -14.949 -1.513 415 1HE LYS 56 2HE LYS 56 -6.818 -13.585 -3.571 416 2HE LYS 56 1HE LYS 56 -7.641 -15.134 -3.715 417 1HZ LYS 56 3HZ LYS 56 -8.973 -12.531 -3.484 418 2HZ LYS 56 2HZ LYS 56 -8.761 -13.394 -4.868 419 3HZ LYS 56 1HZ LYS 56 -9.723 -13.991 -3.669 420 H VAL 57 HN VAL 57 -5.403 -9.578 -0.623 421 HA VAL 57 HA VAL 57 -3.681 -9.057 -3.019 422 HB VAL 57 HB VAL 57 -5.561 -7.341 -1.393 423 1HG1 VAL 57 1HG11 VAL 57 -3.948 -6.619 -3.875 424 2HG1 VAL 57 3HG13 VAL 57 -5.236 -5.638 -3.182 425 3HG1 VAL 57 2HG12 VAL 57 -3.752 -5.933 -2.273 426 1HG2 VAL 57 3HG23 VAL 57 -5.930 -8.572 -4.119 427 2HG2 VAL 57 1HG21 VAL 57 -6.846 -8.904 -2.661 428 3HG2 VAL 57 2HG22 VAL 57 -6.972 -7.318 -3.418 429 H ILE 58 HN ILE 58 -1.749 -7.930 -2.776 430 HA ILE 58 HA ILE 58 -0.754 -7.720 0.051 431 HB ILE 58 HB ILE 58 0.898 -7.517 -2.473 432 1HG1 ILE 58 1HG11 ILE 58 -0.125 -9.696 -2.659 433 2HG1 ILE 58 2HG12 ILE 58 1.571 -9.840 -2.232 434 1HG2 ILE 58 2HG22 ILE 58 1.587 -8.156 0.419 435 2HG2 ILE 58 3HG23 ILE 58 2.726 -8.140 -0.942 436 3HG2 ILE 58 1HG21 ILE 58 1.922 -6.645 -0.441 437 1HD1 ILE 58 3HD13 ILE 58 -0.742 -10.139 -0.263 438 2HD1 ILE 58 2HD12 ILE 58 0.171 -11.453 -1.017 439 3HD1 ILE 58 1HD11 ILE 58 0.992 -10.355 0.098 440 H PHE 59 HN PHE 59 -0.388 -5.617 0.854 441 HA PHE 59 HA PHE 59 -0.949 -3.368 -1.052 442 1HB PHE 59 1HB PHE 59 -1.895 -3.714 1.779 443 2HB PHE 59 2HB PHE 59 -1.970 -2.215 0.873 444 HD1 PHE 59 HD2 PHE 59 -3.459 -1.920 -1.020 445 HD2 PHE 59 HD1 PHE 59 -3.334 -5.676 1.083 446 HE1 PHE 59 HE2 PHE 59 -5.691 -2.497 -1.934 447 HE2 PHE 59 HE1 PHE 59 -5.648 -6.125 0.410 448 HZ PHE 59 HZ PHE 59 -6.794 -4.593 -1.232 449 H LEU 60 HN LEU 60 0.686 -2.132 -1.295 450 HA LEU 60 HA LEU 60 2.769 -1.823 0.829 451 1HB LEU 60 1HB LEU 60 2.858 -1.680 -2.200 452 2HB LEU 60 2HB LEU 60 4.230 -1.273 -1.140 453 HG LEU 60 HG LEU 60 2.893 -3.982 -1.584 454 1HD1 LEU 60 3HD23 LEU 60 5.662 -2.869 -2.209 455 2HD1 LEU 60 1HD21 LEU 60 5.152 -4.546 -2.492 456 3HD1 LEU 60 2HD22 LEU 60 4.391 -3.209 -3.381 457 1HD2 LEU 60 2HD12 LEU 60 5.099 -3.215 0.371 458 2HD2 LEU 60 1HD11 LEU 60 3.525 -3.959 0.745 459 3HD2 LEU 60 3HD13 LEU 60 4.741 -4.879 -0.142 460 H LYS 61 HN LYS 61 3.547 0.196 1.226 461 HA LYS 61 HA LYS 61 2.029 2.571 0.173 462 1HB LYS 61 1HB LYS 61 1.317 2.112 2.415 463 2HB LYS 61 2HB LYS 61 2.966 1.747 2.923 464 1HG LYS 61 2HG LYS 61 2.411 3.783 3.896 465 2HG LYS 61 1HG LYS 61 3.582 4.167 2.644 466 1HD LYS 61 2HD LYS 61 1.676 4.864 1.140 467 2HD LYS 61 1HD LYS 61 0.536 4.481 2.437 468 1HE LYS 61 1HE LYS 61 2.733 6.608 2.509 469 2HE LYS 61 2HE LYS 61 0.985 6.884 2.413 470 1HZ LYS 61 2HZ LYS 61 0.757 5.876 4.560 471 2HZ LYS 61 3HZ LYS 61 2.391 5.693 4.683 472 3HZ LYS 61 1HZ LYS 61 1.737 7.200 4.605 473 H VAL 62 HN VAL 62 3.394 4.160 -0.742 474 HA VAL 62 HA VAL 62 6.272 4.110 0.071 475 HB VAL 62 HB VAL 62 5.185 4.091 -2.784 476 1HG1 VAL 62 3HG13 VAL 62 7.987 4.506 -1.677 477 2HG1 VAL 62 1HG11 VAL 62 7.647 4.151 -3.382 478 3HG1 VAL 62 2HG12 VAL 62 7.067 5.660 -2.667 479 1HG2 VAL 62 1HG21 VAL 62 7.002 2.168 -1.291 480 2HG2 VAL 62 3HG23 VAL 62 5.336 1.828 -1.806 481 3HG2 VAL 62 2HG22 VAL 62 6.600 2.067 -3.017 482 H ASP 63 HN ASP 63 7.043 6.084 0.537 483 HA ASP 63 HA ASP 63 5.421 8.461 -0.186 484 1HB ASP 63 2HB ASP 63 6.197 8.234 2.154 485 2HB ASP 63 1HB ASP 63 7.875 8.263 1.594 486 H VAL 64 HN VAL 64 5.896 9.129 -2.256 487 HA VAL 64 HA VAL 64 8.215 8.357 -3.693 488 HB VAL 64 HB VAL 64 7.588 10.019 -5.350 489 1HG1 VAL 64 2HG12 VAL 64 6.362 7.887 -5.275 490 2HG1 VAL 64 1HG11 VAL 64 5.126 8.616 -4.228 491 3HG1 VAL 64 3HG13 VAL 64 5.355 9.215 -5.878 492 1HG2 VAL 64 3HG23 VAL 64 6.906 11.922 -3.892 493 2HG2 VAL 64 1HG21 VAL 64 5.706 11.519 -5.126 494 3HG2 VAL 64 2HG22 VAL 64 5.437 11.023 -3.454 495 H ASP 65 HN ASP 65 7.846 10.982 -1.364 496 HA ASP 65 HA ASP 65 10.027 12.619 -2.323 497 1HB ASP 65 2HB ASP 65 8.267 13.378 -0.718 498 2HB ASP 65 1HB ASP 65 8.973 12.323 0.520 499 H ALA 66 HN ALA 66 9.662 9.815 -0.166 500 HA ALA 66 HA ALA 66 12.474 9.874 0.702 501 1HB ALA 66 1HB ALA 66 10.714 9.249 2.296 502 2HB ALA 66 3HB ALA 66 10.216 7.902 1.252 503 3HB ALA 66 2HB ALA 66 11.822 7.892 2.007 504 H VAL 67 HN VAL 67 10.343 7.444 -0.966 505 HA VAL 67 HA VAL 67 12.801 6.073 -1.885 506 HB VAL 67 HB VAL 67 9.983 5.209 -2.552 507 1HG1 VAL 67 1HG21 VAL 67 12.032 4.147 -3.590 508 2HG1 VAL 67 2HG22 VAL 67 12.579 3.717 -1.969 509 3HG1 VAL 67 3HG23 VAL 67 11.075 3.012 -2.607 510 1HG2 VAL 67 3HG13 VAL 67 11.510 4.669 0.040 511 2HG2 VAL 67 2HG12 VAL 67 9.928 5.465 -0.134 512 3HG2 VAL 67 1HG11 VAL 67 10.097 3.747 -0.509 513 H ALA 68 HN ALA 68 13.055 8.355 -2.950 514 HA ALA 68 HA ALA 68 11.754 9.131 -5.289 515 1HB ALA 68 1HB ALA 68 13.448 10.483 -4.128 516 2HB ALA 68 2HB ALA 68 14.725 9.345 -4.615 517 3HB ALA 68 3HB ALA 68 13.864 10.296 -5.844 518 H ALA 69 HN ALA 69 14.512 6.867 -4.979 519 HA ALA 69 HA ALA 69 15.036 6.372 -7.671 520 1HB ALA 69 1HB ALA 69 15.207 4.441 -5.314 521 2HB ALA 69 3HB ALA 69 16.013 4.242 -6.885 522 3HB ALA 69 2HB ALA 69 16.455 5.598 -5.831 523 H VAL 70 HN VAL 70 12.829 4.439 -5.560 524 HA VAL 70 HA VAL 70 12.021 2.698 -7.715 525 HB VAL 70 HB VAL 70 10.589 3.272 -5.089 526 1HG1 VAL 70 1HG21 VAL 70 9.174 2.046 -6.731 527 2HG1 VAL 70 2HG22 VAL 70 10.459 0.841 -6.926 528 3HG1 VAL 70 3HG23 VAL 70 9.638 1.025 -5.364 529 1HG2 VAL 70 1HG11 VAL 70 12.975 2.485 -4.754 530 2HG2 VAL 70 2HG12 VAL 70 11.789 1.263 -4.269 531 3HG2 VAL 70 3HG13 VAL 70 12.636 1.122 -5.827 532 H ALA 71 HN ALA 71 10.646 5.639 -6.218 533 HA ALA 71 HA ALA 71 8.230 5.738 -7.692 534 1HB ALA 71 1HB ALA 71 8.746 7.188 -5.768 535 2HB ALA 71 2HB ALA 71 9.946 8.072 -6.732 536 3HB ALA 71 3HB ALA 71 8.230 8.140 -7.176 537 H GLU 72 HN GLU 72 11.393 7.304 -8.571 538 HA GLU 72 HA GLU 72 10.344 8.248 -11.085 539 1HB GLU 72 2HB GLU 72 12.538 8.993 -11.579 540 2HB GLU 72 1HB GLU 72 12.227 9.304 -9.868 541 1HG GLU 72 2HG GLU 72 13.540 7.176 -9.371 542 2HG GLU 72 1HG GLU 72 14.000 7.133 -11.076 543 H ALA 73 HN ALA 73 12.186 5.284 -10.144 544 HA ALA 73 HA ALA 73 12.592 4.309 -12.779 545 1HB ALA 73 3HB ALA 73 12.089 2.761 -10.194 546 2HB ALA 73 2HB ALA 73 12.768 2.095 -11.694 547 3HB ALA 73 1HB ALA 73 13.665 3.329 -10.789 548 H ALA 74 HN ALA 74 9.843 3.847 -10.509 549 HA ALA 74 HA ALA 74 8.237 2.276 -12.294 550 1HB ALA 74 3HB ALA 74 7.915 2.310 -9.857 551 2HB ALA 74 2HB ALA 74 7.464 4.028 -9.918 552 3HB ALA 74 1HB ALA 74 6.432 2.805 -10.688 553 H GLY 75 HN GLY 75 8.691 5.742 -11.800 554 1HA GLY 75 1HA GLY 75 8.440 7.368 -13.478 555 2HA GLY 75 2HA GLY 75 7.354 6.300 -14.383 556 H ILE 76 HN ILE 76 7.277 7.319 -10.930 557 HA ILE 76 HA ILE 76 4.433 7.992 -11.196 558 HB ILE 76 HB ILE 76 6.316 8.390 -8.830 559 1HG1 ILE 76 1HG11 ILE 76 6.264 6.043 -9.493 560 2HG1 ILE 76 2HG12 ILE 76 5.463 6.300 -7.956 561 1HG2 ILE 76 3HG23 ILE 76 3.291 8.488 -9.168 562 2HG2 ILE 76 1HG21 ILE 76 4.061 8.253 -7.587 563 3HG2 ILE 76 2HG22 ILE 76 4.361 9.733 -8.505 564 1HD1 ILE 76 1HD11 ILE 76 4.059 5.896 -10.644 565 2HD1 ILE 76 2HD12 ILE 76 4.301 4.674 -9.401 566 3HD1 ILE 76 3HD13 ILE 76 3.266 6.063 -9.058 567 H THR 77 HN THR 77 3.540 9.958 -11.226 568 HA THR 77 HA THR 77 5.266 12.401 -11.194 569 HB THR 77 HB THR 77 3.910 13.204 -13.145 570 HG1 THR 77 HG1 THR 77 2.899 11.403 -14.345 571 1HG2 THR 77 3HG23 THR 77 6.185 12.174 -13.448 572 2HG2 THR 77 1HG21 THR 77 5.407 10.605 -13.743 573 3HG2 THR 77 2HG22 THR 77 5.125 11.959 -14.851 574 H ALA 78 HN ALA 78 1.851 11.900 -11.911 575 HA ALA 78 HA ALA 78 1.031 13.962 -10.020 576 1HB ALA 78 2HB ALA 78 -0.069 13.654 -12.197 577 2HB ALA 78 1HB ALA 78 -0.589 12.021 -11.726 578 3HB ALA 78 3HB ALA 78 -1.228 13.443 -10.870 579 H MET 79 HN MET 79 2.158 12.657 -8.204 580 HA MET 79 HA MET 79 0.873 10.369 -7.130 581 1HB MET 79 1HB MET 79 2.150 10.665 -5.182 582 2HB MET 79 2HB MET 79 3.159 11.134 -6.541 583 1HG MET 79 2HG MET 79 1.758 12.999 -4.574 584 2HG MET 79 1HG MET 79 3.455 12.584 -4.575 585 1HE MET 79 3HE MET 79 4.686 12.841 -7.214 586 2HE MET 79 1HE MET 79 4.975 14.574 -7.471 587 3HE MET 79 2HE MET 79 5.313 13.846 -5.883 588 HA PRO 80 HA PRO 80 -0.065 9.565 -4.791 589 1HB PRO 80 2HB PRO 80 -3.052 9.184 -4.969 590 2HB PRO 80 1HB PRO 80 -1.935 8.613 -3.698 591 1HG PRO 80 2HG PRO 80 -3.467 10.790 -3.258 592 2HG PRO 80 1HG PRO 80 -1.755 10.835 -2.808 593 1HD PRO 80 1HD PRO 80 -3.016 11.941 -5.339 594 2HD PRO 80 2HD PRO 80 -1.875 12.741 -4.221 595 H THR 81 HN THR 81 0.113 7.571 -5.903 596 HA THR 81 HA THR 81 -1.503 7.155 -8.338 597 HB THR 81 HB THR 81 1.526 7.296 -8.276 598 HG1 THR 81 HG1 THR 81 -0.319 9.151 -8.810 599 1HG2 THR 81 3HG23 THR 81 -0.390 6.523 -10.530 600 2HG2 THR 81 1HG21 THR 81 1.342 6.840 -10.746 601 3HG2 THR 81 2HG22 THR 81 0.811 5.468 -9.759 602 H PHE 82 HN PHE 82 -2.191 5.155 -8.327 603 HA PHE 82 HA PHE 82 -1.005 3.205 -6.432 604 1HB PHE 82 1HB PHE 82 -3.740 3.435 -7.696 605 2HB PHE 82 2HB PHE 82 -3.213 2.124 -6.654 606 HD1 PHE 82 HD2 PHE 82 -4.114 5.734 -6.789 607 HD2 PHE 82 HD1 PHE 82 -2.927 2.463 -4.226 608 HE1 PHE 82 HE2 PHE 82 -4.742 7.055 -4.801 609 HE2 PHE 82 HE1 PHE 82 -3.656 3.772 -2.246 610 HZ PHE 82 HZ PHE 82 -4.508 6.060 -2.508 611 H HIS 83 HN HIS 83 0.198 1.598 -7.351 612 HA HIS 83 HA HIS 83 -0.326 0.840 -10.231 613 1HB HIS 83 2HB HIS 83 2.176 0.771 -8.549 614 2HB HIS 83 1HB HIS 83 1.986 -0.197 -10.023 615 HD2 HIS 83 HD2 HIS 83 0.502 3.203 -10.625 616 HE1 HIS 83 HE1 HIS 83 4.493 3.355 -12.010 617 HE2 HIS 83 HE2 HIS 83 2.224 4.544 -12.066 618 H VAL 84 HN VAL 84 -0.442 -1.366 -10.711 619 HA VAL 84 HA VAL 84 -0.744 -3.192 -8.347 620 HB VAL 84 HB VAL 84 -2.130 -3.515 -11.028 621 1HG1 VAL 84 3HG23 VAL 84 -2.496 -4.744 -8.252 622 2HG1 VAL 84 1HG21 VAL 84 -3.484 -5.110 -9.680 623 3HG1 VAL 84 2HG22 VAL 84 -1.768 -5.559 -9.651 624 1HG2 VAL 84 3HG13 VAL 84 -3.222 -2.308 -8.447 625 2HG2 VAL 84 2HG12 VAL 84 -3.043 -1.468 -10.002 626 3HG2 VAL 84 1HG11 VAL 84 -4.196 -2.798 -9.849 627 H TYR 85 HN TYR 85 1.139 -4.293 -8.216 628 HA TYR 85 HA TYR 85 2.576 -5.053 -10.694 629 1HB TYR 85 1HB TYR 85 3.437 -4.824 -7.824 630 2HB TYR 85 2HB TYR 85 4.376 -5.693 -9.030 631 HD1 TYR 85 HD2 TYR 85 3.150 -2.387 -7.962 632 HD2 TYR 85 HD1 TYR 85 5.612 -4.523 -10.769 633 HE1 TYR 85 HE2 TYR 85 4.138 -0.243 -8.759 634 HE2 TYR 85 HE1 TYR 85 6.485 -2.367 -11.645 635 HH TYR 85 HH TYR 85 4.970 0.717 -10.735 636 H LYS 86 HN LYS 86 2.161 -6.981 -11.488 637 HA LYS 86 HA LYS 86 1.579 -9.358 -9.757 638 1HB LYS 86 2HB LYS 86 1.555 -8.990 -12.784 639 2HB LYS 86 1HB LYS 86 1.099 -10.469 -11.933 640 1HG LYS 86 1HG LYS 86 -0.384 -7.809 -11.661 641 2HG LYS 86 2HG LYS 86 -0.794 -9.093 -12.804 642 1HD LYS 86 1HD LYS 86 -1.080 -10.685 -10.887 643 2HD LYS 86 2HD LYS 86 -0.812 -9.335 -9.767 644 1HE LYS 86 2HE LYS 86 -2.774 -8.140 -10.791 645 2HE LYS 86 1HE LYS 86 -3.021 -9.509 -11.887 646 1HZ LYS 86 2HZ LYS 86 -3.359 -10.896 -9.934 647 2HZ LYS 86 3HZ LYS 86 -3.227 -9.580 -8.968 648 3HZ LYS 86 1HZ LYS 86 -4.474 -9.693 -10.038 649 H ASP 87 HN ASP 87 2.962 -11.342 -11.085 650 HA ASP 87 HA ASP 87 5.785 -10.658 -11.054 651 1HB ASP 87 2HB ASP 87 6.089 -12.815 -12.212 652 2HB ASP 87 1HB ASP 87 5.157 -12.786 -10.724 653 H GLY 88 HN GLY 88 3.304 -11.001 -13.407 654 1HA GLY 88 1HA GLY 88 4.741 -9.871 -15.693 655 2HA GLY 88 2HA GLY 88 2.974 -9.949 -15.523 656 H VAL 89 HN VAL 89 5.424 -8.446 -13.492 657 HA VAL 89 HA VAL 89 5.172 -6.604 -12.078 658 HB VAL 89 HB VAL 89 6.732 -5.172 -13.139 659 1HG1 VAL 89 3HG13 VAL 89 7.136 -7.665 -12.359 660 2HG1 VAL 89 2HG12 VAL 89 7.326 -8.011 -14.075 661 3HG1 VAL 89 1HG11 VAL 89 8.410 -6.875 -13.283 662 1HG2 VAL 89 2HG22 VAL 89 5.662 -4.999 -15.432 663 2HG2 VAL 89 1HG21 VAL 89 7.371 -5.446 -15.513 664 3HG2 VAL 89 3HG23 VAL 89 6.116 -6.674 -15.749 665 H LYS 90 HN LYS 90 5.113 -4.003 -13.611 666 HA LYS 90 HA LYS 90 2.743 -3.023 -12.500 667 1HB LYS 90 1HB LYS 90 4.751 -1.695 -13.340 668 2HB LYS 90 2HB LYS 90 4.111 -1.891 -14.974 669 1HG LYS 90 1HG LYS 90 1.887 -0.890 -13.927 670 2HG LYS 90 2HG LYS 90 2.940 -0.377 -12.606 671 1HD LYS 90 1HD LYS 90 3.174 0.339 -15.568 672 2HD LYS 90 2HD LYS 90 2.633 1.400 -14.258 673 1HE LYS 90 2HE LYS 90 4.919 1.177 -13.205 674 2HE LYS 90 1HE LYS 90 5.450 0.266 -14.625 675 1HZ LYS 90 2HZ LYS 90 4.359 2.987 -14.712 676 2HZ LYS 90 1HZ LYS 90 5.958 2.628 -14.709 677 3HZ LYS 90 3HZ LYS 90 5.007 2.144 -15.973 678 H ALA 91 HN ALA 91 1.126 -4.576 -13.006 679 HA ALA 91 HA ALA 91 0.336 -5.084 -15.734 680 1HB ALA 91 2HB ALA 91 0.076 -6.746 -13.931 681 2HB ALA 91 1HB ALA 91 -1.060 -5.672 -13.079 682 3HB ALA 91 3HB ALA 91 -1.500 -6.361 -14.656 683 H ASP 92 HN ASP 92 -0.565 -2.821 -13.182 684 HA ASP 92 HA ASP 92 -2.251 -1.347 -15.066 685 1HB ASP 92 1HB ASP 92 -3.553 -3.189 -13.605 686 2HB ASP 92 2HB ASP 92 -3.528 -1.913 -12.384 687 H ASP 93 HN ASP 93 -3.010 0.705 -14.068 688 HA ASP 93 HA ASP 93 -1.292 1.891 -12.000 689 1HB ASP 93 1HB ASP 93 0.072 2.293 -13.929 690 2HB ASP 93 2HB ASP 93 -1.346 2.756 -14.903 691 H LEU 94 HN LEU 94 -2.065 4.097 -11.656 692 HA LEU 94 HA LEU 94 -4.668 4.997 -12.421 693 1HB LEU 94 2HB LEU 94 -5.512 3.058 -11.214 694 2HB LEU 94 1HB LEU 94 -4.494 3.418 -9.823 695 HG LEU 94 HG LEU 94 -5.825 5.459 -9.361 696 1HD1 LEU 94 2HD12 LEU 94 -7.299 4.592 -11.895 697 2HD1 LEU 94 1HD11 LEU 94 -7.972 5.749 -10.732 698 3HD1 LEU 94 3HD13 LEU 94 -6.493 6.148 -11.599 699 1HD2 LEU 94 1HD21 LEU 94 -6.449 3.301 -8.393 700 2HD2 LEU 94 2HD22 LEU 94 -7.866 4.314 -8.680 701 3HD2 LEU 94 3HD23 LEU 94 -7.507 2.964 -9.774 702 H VAL 95 HN VAL 95 -3.935 7.097 -12.392 703 HA VAL 95 HA VAL 95 -2.349 8.135 -10.164 704 HB VAL 95 HB VAL 95 -2.430 10.242 -11.413 705 1HG1 VAL 95 2HG22 VAL 95 -0.669 8.603 -11.887 706 2HG1 VAL 95 1HG21 VAL 95 -1.677 7.845 -13.139 707 3HG1 VAL 95 3HG23 VAL 95 -1.106 9.513 -13.341 708 1HG2 VAL 95 2HG12 VAL 95 -4.684 10.037 -12.461 709 2HG2 VAL 95 3HG13 VAL 95 -3.410 10.405 -13.632 710 3HG2 VAL 95 1HG11 VAL 95 -4.059 8.762 -13.531 711 H GLY 96 HN GLY 96 -2.988 9.983 -8.898 712 1HA GLY 96 1HA GLY 96 -4.394 11.460 -7.857 713 2HA GLY 96 2HA GLY 96 -5.746 10.931 -8.882 714 H ALA 97 HN ALA 97 -6.307 11.409 -6.329 715 HA ALA 97 HA ALA 97 -6.116 9.073 -4.589 716 1HB ALA 97 2HB ALA 97 -6.152 11.449 -3.810 717 2HB ALA 97 1HB ALA 97 -7.821 11.593 -4.386 718 3HB ALA 97 3HB ALA 97 -7.436 10.453 -3.078 719 H SER 98 HN SER 98 -7.191 8.254 -7.033 720 HA SER 98 HA SER 98 -10.056 8.452 -7.167 721 1HB SER 98 1HB SER 98 -8.224 6.565 -8.681 722 2HB SER 98 2HB SER 98 -9.746 7.291 -9.219 723 HG SER 98 HG SER 98 -7.281 8.294 -9.540 724 H GLN 99 HN GLN 99 -9.943 7.555 -4.755 725 HA GLN 99 HA GLN 99 -9.528 4.967 -4.005 726 1HB GLN 99 2HB GLN 99 -11.316 5.334 -2.289 727 2HB GLN 99 1HB GLN 99 -10.096 6.603 -2.415 728 1HG GLN 99 1HG GLN 99 -11.692 8.041 -3.681 729 2HG GLN 99 2HG GLN 99 -12.911 6.759 -3.582 730 1HE2 GLN 99 1HE21 GLN 99 -11.960 8.714 -0.078 731 2HE2 GLN 99 2HE22 GLN 99 -10.654 8.387 -1.201 732 H ASP 100 HN ASP 100 -12.603 6.012 -5.602 733 HA ASP 100 HA ASP 100 -13.853 3.436 -5.348 734 1HB ASP 100 1HB ASP 100 -15.149 5.456 -5.822 735 2HB ASP 100 2HB ASP 100 -14.306 5.680 -7.368 736 H LYS 101 HN LYS 101 -11.972 4.961 -7.976 737 HA LYS 101 HA LYS 101 -12.186 2.787 -9.807 738 1HB LYS 101 2HB LYS 101 -11.549 5.138 -10.383 739 2HB LYS 101 1HB LYS 101 -10.020 4.918 -9.531 740 1HG LYS 101 2HG LYS 101 -9.752 4.735 -11.948 741 2HG LYS 101 1HG LYS 101 -9.324 3.205 -11.153 742 1HD LYS 101 1HD LYS 101 -11.404 2.192 -11.839 743 2HD LYS 101 2HD LYS 101 -12.058 3.762 -12.358 744 1HE LYS 101 2HE LYS 101 -11.349 2.396 -14.292 745 2HE LYS 101 1HE LYS 101 -10.401 3.887 -14.178 746 1HZ LYS 101 2HZ LYS 101 -9.536 1.238 -13.243 747 2HZ LYS 101 3HZ LYS 101 -9.044 1.974 -14.633 748 3HZ LYS 101 1HZ LYS 101 -8.643 2.622 -13.173 749 H LEU 102 HN LEU 102 -9.900 3.608 -7.201 750 HA LEU 102 HA LEU 102 -8.027 1.527 -7.629 751 1HB LEU 102 1HB LEU 102 -7.685 3.458 -6.092 752 2HB LEU 102 2HB LEU 102 -8.890 2.806 -4.981 753 HG LEU 102 HG LEU 102 -7.523 0.779 -4.611 754 1HD1 LEU 102 3HD23 LEU 102 -5.549 2.299 -6.349 755 2HD1 LEU 102 2HD22 LEU 102 -5.082 0.969 -5.268 756 3HD1 LEU 102 1HD21 LEU 102 -6.162 0.655 -6.634 757 1HD2 LEU 102 1HD11 LEU 102 -6.327 3.534 -4.118 758 2HD2 LEU 102 2HD12 LEU 102 -7.421 2.625 -3.052 759 3HD2 LEU 102 3HD13 LEU 102 -5.764 2.048 -3.335 760 H LYS 103 HN LYS 103 -10.868 1.636 -5.394 761 HA LYS 103 HA LYS 103 -10.870 -0.967 -4.456 762 1HB LYS 103 2HB LYS 103 -12.444 0.881 -3.859 763 2HB LYS 103 1HB LYS 103 -13.326 0.620 -5.354 764 1HG LYS 103 2HG LYS 103 -13.910 -1.660 -4.706 765 2HG LYS 103 1HG LYS 103 -12.972 -1.507 -3.210 766 1HD LYS 103 1HD LYS 103 -14.418 0.407 -2.512 767 2HD LYS 103 2HD LYS 103 -15.396 0.193 -3.972 768 1HE LYS 103 1HE LYS 103 -14.995 -1.893 -1.766 769 2HE LYS 103 2HE LYS 103 -16.423 -0.865 -1.969 770 1HZ LYS 103 3HZ LYS 103 -16.777 -1.884 -4.107 771 2HZ LYS 103 2HZ LYS 103 -15.472 -2.871 -3.889 772 3HZ LYS 103 1HZ LYS 103 -16.779 -3.007 -2.900 773 H ALA 104 HN ALA 104 -12.483 0.211 -7.385 774 HA ALA 104 HA ALA 104 -13.410 -2.247 -8.407 775 1HB ALA 104 3HB ALA 104 -14.096 -0.029 -9.256 776 2HB ALA 104 1HB ALA 104 -12.492 0.201 -9.982 777 3HB ALA 104 2HB ALA 104 -13.554 -1.093 -10.569 778 H LEU 105 HN LEU 105 -10.245 -0.612 -9.182 779 HA LEU 105 HA LEU 105 -9.367 -2.708 -10.929 780 1HB LEU 105 2HB LEU 105 -7.826 -0.679 -9.251 781 2HB LEU 105 1HB LEU 105 -7.043 -1.857 -10.305 782 HG LEU 105 HG LEU 105 -8.903 0.373 -11.199 783 1HD1 LEU 105 3HD13 LEU 105 -6.549 0.956 -10.564 784 2HD1 LEU 105 2HD12 LEU 105 -5.959 -0.217 -11.753 785 3HD1 LEU 105 1HD11 LEU 105 -6.871 1.206 -12.292 786 1HD2 LEU 105 2HD22 LEU 105 -7.710 -1.970 -12.727 787 2HD2 LEU 105 3HD23 LEU 105 -9.394 -1.400 -12.725 788 3HD2 LEU 105 1HD21 LEU 105 -8.140 -0.452 -13.531 789 H VAL 106 HN VAL 106 -8.893 -2.260 -7.371 790 HA VAL 106 HA VAL 106 -7.245 -4.573 -7.120 791 HB VAL 106 HB VAL 106 -9.170 -3.406 -5.055 792 1HG1 VAL 106 3HG23 VAL 106 -6.789 -5.316 -4.881 793 2HG1 VAL 106 2HG22 VAL 106 -7.554 -4.555 -3.472 794 3HG1 VAL 106 1HG21 VAL 106 -8.467 -5.702 -4.462 795 1HG2 VAL 106 3HG13 VAL 106 -6.229 -2.908 -5.657 796 2HG2 VAL 106 1HG11 VAL 106 -7.521 -1.722 -5.737 797 3HG2 VAL 106 2HG12 VAL 106 -7.055 -2.370 -4.168 798 H ALA 107 HN ALA 107 -10.774 -4.185 -6.897 799 HA ALA 107 HA ALA 107 -11.460 -6.880 -6.396 800 1HB ALA 107 2HB ALA 107 -13.133 -5.028 -6.429 801 2HB ALA 107 1HB ALA 107 -13.005 -4.948 -8.194 802 3HB ALA 107 3HB ALA 107 -13.630 -6.409 -7.417 803 H LYS 108 HN LYS 108 -11.089 -5.282 -9.589 804 HA LYS 108 HA LYS 108 -11.493 -7.498 -11.275 805 1HB LYS 108 1HB LYS 108 -11.299 -5.168 -12.011 806 2HB LYS 108 2HB LYS 108 -9.624 -5.080 -11.522 807 1HG LYS 108 2HG LYS 108 -9.012 -6.820 -13.219 808 2HG LYS 108 1HG LYS 108 -10.683 -6.765 -13.809 809 1HD LYS 108 2HD LYS 108 -8.676 -4.453 -13.691 810 2HD LYS 108 1HD LYS 108 -9.095 -5.389 -15.130 811 1HE LYS 108 1HE LYS 108 -11.468 -4.585 -14.929 812 2HE LYS 108 2HE LYS 108 -10.978 -3.561 -13.563 813 1HZ LYS 108 1HZ LYS 108 -9.452 -2.449 -15.012 814 2HZ LYS 108 3HZ LYS 108 -9.916 -3.385 -16.287 815 3HZ LYS 108 2HZ LYS 108 -10.992 -2.350 -15.590 816 H HIS 109 HN HIS 109 -8.370 -6.206 -10.191 817 HA HIS 109 HA HIS 109 -6.860 -8.361 -11.323 818 1HB HIS 109 2HB HIS 109 -6.213 -6.173 -9.314 819 2HB HIS 109 1HB HIS 109 -5.042 -7.378 -9.857 820 HD2 HIS 109 HD2 HIS 109 -6.989 -4.330 -11.432 821 HE1 HIS 109 HE1 HIS 109 -4.188 -5.764 -14.226 822 HE2 HIS 109 HE2 HIS 109 -5.829 -3.880 -13.718 823 H ALA 110 HN ALA 110 -8.348 -8.025 -8.097 824 HA ALA 110 HA ALA 110 -6.969 -10.393 -7.044 825 1HB ALA 110 3HB ALA 110 -7.647 -8.409 -5.650 826 2HB ALA 110 1HB ALA 110 -9.343 -8.839 -5.934 827 3HB ALA 110 2HB ALA 110 -8.279 -9.957 -5.056 828 H ALA 111 HN ALA 111 -8.290 -10.983 -9.487 829 HA ALA 111 HA ALA 111 -10.880 -12.083 -9.193 830 1HB ALA 111 1HB ALA 111 -9.783 -11.649 -11.365 831 2HB ALA 111 2HB ALA 111 -8.595 -12.930 -11.030 832 3HB ALA 111 3HB ALA 111 -10.311 -13.339 -11.247 833 H ALA 112 HN ALA 112 -7.824 -13.283 -7.925 834 HA ALA 112 HA ALA 112 -8.986 -15.489 -6.627 835 1HB ALA 112 1HB ALA 112 -7.057 -16.077 -8.931 836 2HB ALA 112 2HB ALA 112 -7.576 -17.244 -7.696 837 3HB ALA 112 3HB ALA 112 -8.756 -16.593 -8.849 No H/Q in entry = 837 Start of MODEL 16 1 1H GLY 1 1HN GLY 1 -1.345 -11.587 3.627 2 2H GLY 1 3HN GLY 1 -2.928 -11.107 3.746 3 3H GLY 1 2HN GLY 1 -1.756 -10.039 3.285 4 1HA GLY 1 1HA GLY 1 -2.391 -9.662 5.589 5 2HA GLY 1 2HA GLY 1 -2.117 -11.392 5.906 6 H GLY 2 HN GLY 2 -0.813 -9.755 7.580 7 1HA GLY 2 1HA GLY 2 1.271 -9.333 8.434 8 2HA GLY 2 2HA GLY 2 2.014 -10.145 7.039 9 H SER 3 HN SER 3 1.809 -8.960 4.939 10 HA SER 3 HA SER 3 2.732 -6.224 5.108 11 1HB SER 3 1HB SER 3 1.959 -7.934 2.710 12 2HB SER 3 2HB SER 3 3.042 -6.527 2.734 13 HG SER 3 HG SER 3 4.390 -7.826 4.190 14 H VAL 4 HN VAL 4 0.436 -5.894 6.304 15 HA VAL 4 HA VAL 4 -1.320 -4.473 4.398 16 HB VAL 4 HB VAL 4 -3.146 -5.236 6.073 17 1HG1 VAL 4 3HG13 VAL 4 -3.055 -6.116 3.742 18 2HG1 VAL 4 2HG12 VAL 4 -1.986 -7.415 4.296 19 3HG1 VAL 4 1HG11 VAL 4 -3.652 -7.304 4.903 20 1HG2 VAL 4 2HG22 VAL 4 -1.612 -6.080 7.796 21 2HG2 VAL 4 1HG21 VAL 4 -2.874 -7.229 7.314 22 3HG2 VAL 4 3HG23 VAL 4 -1.216 -7.443 6.727 23 H ILE 5 HN ILE 5 0.953 -3.621 5.906 24 HA ILE 5 HA ILE 5 -0.236 -1.781 7.931 25 HB ILE 5 HB ILE 5 1.738 -2.215 9.374 26 1HG1 ILE 5 1HG11 ILE 5 2.435 -4.446 7.399 27 2HG1 ILE 5 2HG12 ILE 5 3.318 -2.923 7.569 28 1HG2 ILE 5 2HG22 ILE 5 -0.430 -3.504 9.596 29 2HG2 ILE 5 3HG23 ILE 5 0.348 -4.843 8.726 30 3HG2 ILE 5 1HG21 ILE 5 0.990 -4.295 10.284 31 1HD1 ILE 5 2HD12 ILE 5 3.791 -3.494 9.956 32 2HD1 ILE 5 1HD11 ILE 5 3.048 -5.090 9.680 33 3HD1 ILE 5 3HD13 ILE 5 4.496 -4.618 8.778 34 H VAL 6 HN VAL 6 1.861 -0.338 8.639 35 HA VAL 6 HA VAL 6 2.457 1.257 6.285 36 HB VAL 6 HB VAL 6 3.570 1.589 9.102 37 1HG1 VAL 6 2HG22 VAL 6 4.568 2.989 7.323 38 2HG1 VAL 6 3HG23 VAL 6 2.959 3.600 6.895 39 3HG1 VAL 6 1HG21 VAL 6 3.655 3.958 8.487 40 1HG2 VAL 6 2HG12 VAL 6 0.821 2.389 8.122 41 2HG2 VAL 6 3HG13 VAL 6 1.250 1.439 9.550 42 3HG2 VAL 6 1HG11 VAL 6 1.634 3.158 9.498 43 H ILE 7 HN ILE 7 4.210 0.668 4.921 44 HA ILE 7 HA ILE 7 6.730 0.165 6.219 45 HB ILE 7 HB ILE 7 5.736 -2.117 6.349 46 1HG1 ILE 7 1HG11 ILE 7 7.717 -3.207 5.069 47 2HG1 ILE 7 2HG12 ILE 7 8.247 -1.548 4.708 48 1HG2 ILE 7 3HG23 ILE 7 4.423 -1.967 4.162 49 2HG2 ILE 7 1HG21 ILE 7 5.955 -2.343 3.334 50 3HG2 ILE 7 2HG22 ILE 7 5.284 -3.474 4.506 51 1HD1 ILE 7 2HD12 ILE 7 7.725 -2.691 7.494 52 2HD1 ILE 7 3HD13 ILE 7 9.314 -2.457 6.752 53 3HD1 ILE 7 1HD11 ILE 7 8.320 -1.053 7.145 54 H ASP 8 HN ASP 8 7.648 1.773 5.247 55 HA ASP 8 HA ASP 8 7.426 2.171 2.338 56 1HB ASP 8 1HB ASP 8 8.510 4.305 2.826 57 2HB ASP 8 2HB ASP 8 7.106 4.096 3.883 58 H SER 9 HN SER 9 9.757 1.528 4.909 59 HA SER 9 HA SER 9 12.133 1.695 4.023 60 1HB SER 9 1HB SER 9 11.174 -0.909 5.232 61 2HB SER 9 2HB SER 9 12.749 -0.115 5.468 62 HG SER 9 HG SER 9 11.245 0.328 7.193 63 H LYS 10 HN LYS 10 13.096 1.397 2.100 64 HA LYS 10 HA LYS 10 12.466 -0.393 0.087 65 1HB LYS 10 1HB LYS 10 13.958 1.598 0.044 66 2HB LYS 10 2HB LYS 10 15.257 0.661 0.779 67 1HG LYS 10 1HG LYS 10 13.918 -0.281 -1.790 68 2HG LYS 10 2HG LYS 10 15.122 1.014 -1.819 69 1HD LYS 10 1HD LYS 10 16.822 -0.445 -0.814 70 2HD LYS 10 2HD LYS 10 15.659 -1.767 -0.670 71 1HE LYS 10 1HE LYS 10 17.044 -2.153 -2.601 72 2HE LYS 10 2HE LYS 10 15.379 -1.853 -3.117 73 1HZ LYS 10 3HZ LYS 10 17.561 0.120 -3.142 74 2HZ LYS 10 1HZ LYS 10 16.983 -0.693 -4.454 75 3HZ LYS 10 2HZ LYS 10 16.019 0.382 -3.665 76 H ALA 11 HN ALA 11 14.681 -0.867 2.841 77 HA ALA 11 HA ALA 11 15.728 -3.407 2.126 78 1HB ALA 11 1HB ALA 11 16.637 -1.980 3.932 79 2HB ALA 11 3HB ALA 11 15.166 -2.251 4.897 80 3HB ALA 11 2HB ALA 11 16.254 -3.606 4.528 81 H ALA 12 HN ALA 12 12.536 -2.534 3.289 82 HA ALA 12 HA ALA 12 11.867 -5.336 4.024 83 1HB ALA 12 1HB ALA 12 11.276 -3.478 5.592 84 2HB ALA 12 2HB ALA 12 10.234 -2.796 4.317 85 3HB ALA 12 3HB ALA 12 9.876 -4.392 4.996 86 H TRP 13 HN TRP 13 11.198 -2.753 1.671 87 HA TRP 13 HA TRP 13 8.911 -3.534 0.391 88 1HB TRP 13 1HB TRP 13 10.076 -1.547 -0.246 89 2HB TRP 13 2HB TRP 13 11.522 -2.446 -0.674 90 HD1 TRP 13 HD1 TRP 13 11.745 -3.578 -2.980 91 HE1 TRP 13 HE1 TRP 13 10.545 -3.231 -5.230 92 HE3 TRP 13 HE3 TRP 13 7.720 -0.853 -1.362 93 HZ2 TRP 13 HZ2 TRP 13 8.248 -1.905 -6.200 94 HZ3 TRP 13 HZ3 TRP 13 6.116 0.047 -3.016 95 HH2 TRP 13 HH2 TRP 13 6.333 -0.497 -5.424 96 H ASP 14 HN ASP 14 12.189 -4.801 -0.542 97 HA ASP 14 HA ASP 14 11.048 -6.558 -2.521 98 1HB ASP 14 1HB ASP 14 13.138 -7.501 -2.764 99 2HB ASP 14 2HB ASP 14 13.392 -5.744 -2.537 100 H ALA 15 HN ALA 15 12.342 -7.077 0.692 101 HA ALA 15 HA ALA 15 11.794 -9.787 1.075 102 1HB ALA 15 3HB ALA 15 12.871 -8.342 2.791 103 2HB ALA 15 2HB ALA 15 11.289 -7.640 3.189 104 3HB ALA 15 1HB ALA 15 11.588 -9.361 3.474 105 H GLN 16 HN GLN 16 9.528 -7.100 1.359 106 HA GLN 16 HA GLN 16 7.149 -8.503 2.055 107 1HB GLN 16 2HB GLN 16 7.911 -5.778 1.313 108 2HB GLN 16 1HB GLN 16 6.541 -6.255 0.352 109 1HG GLN 16 2HG GLN 16 5.920 -5.127 2.459 110 2HG GLN 16 1HG GLN 16 5.245 -6.751 2.275 111 1HE2 GLN 16 2HE22 GLN 16 8.399 -6.680 4.924 112 2HE2 GLN 16 1HE21 GLN 16 8.652 -6.119 3.279 113 H LEU 17 HN LEU 17 8.309 -7.344 -1.137 114 HA LEU 17 HA LEU 17 6.383 -8.577 -2.769 115 1HB LEU 17 1HB LEU 17 9.339 -7.961 -3.164 116 2HB LEU 17 2HB LEU 17 8.421 -8.629 -4.460 117 HG LEU 17 HG LEU 17 7.934 -5.961 -3.047 118 1HD1 LEU 17 2HD22 LEU 17 9.867 -6.018 -4.589 119 2HD1 LEU 17 3HD23 LEU 17 8.821 -6.646 -5.882 120 3HD1 LEU 17 1HD21 LEU 17 8.558 -5.013 -5.240 121 1HD2 LEU 17 1HD11 LEU 17 6.344 -7.226 -5.313 122 2HD2 LEU 17 3HD13 LEU 17 5.734 -6.744 -3.714 123 3HD2 LEU 17 2HD12 LEU 17 6.262 -5.515 -4.857 124 H ALA 18 HN ALA 18 9.398 -10.021 -1.514 125 HA ALA 18 HA ALA 18 9.043 -12.538 -2.810 126 1HB ALA 18 2HB ALA 18 11.192 -11.742 -1.940 127 2HB ALA 18 3HB ALA 18 10.586 -11.826 -0.276 128 3HB ALA 18 1HB ALA 18 10.764 -13.313 -1.231 129 H LYS 19 HN LYS 19 8.499 -11.760 0.725 130 HA LYS 19 HA LYS 19 7.399 -14.309 1.305 131 1HB LYS 19 2HB LYS 19 6.686 -13.346 3.388 132 2HB LYS 19 1HB LYS 19 8.287 -12.705 2.983 133 1HG LYS 19 2HG LYS 19 7.089 -10.675 2.055 134 2HG LYS 19 1HG LYS 19 5.593 -11.285 2.722 135 1HD LYS 19 1HD LYS 19 8.114 -10.593 4.304 136 2HD LYS 19 2HD LYS 19 6.654 -9.598 4.175 137 1HE LYS 19 1HE LYS 19 5.322 -11.459 5.210 138 2HE LYS 19 2HE LYS 19 6.836 -12.344 5.487 139 1HZ LYS 19 3HZ LYS 19 6.186 -9.687 6.550 140 2HZ LYS 19 1HZ LYS 19 6.166 -11.102 7.397 141 3HZ LYS 19 2HZ LYS 19 7.590 -10.512 6.814 142 H GLY 20 HN GLY 20 5.916 -11.364 0.010 143 1HA GLY 20 1HA GLY 20 3.206 -11.957 0.395 144 2HA GLY 20 2HA GLY 20 3.904 -10.969 -0.906 145 H LYS 21 HN LYS 21 5.500 -13.536 -1.799 146 HA LYS 21 HA LYS 21 5.233 -15.064 -3.474 147 1HB LYS 21 2HB LYS 21 2.565 -15.567 -2.076 148 2HB LYS 21 1HB LYS 21 3.220 -16.560 -3.362 149 1HG LYS 21 2HG LYS 21 5.083 -17.255 -2.125 150 2HG LYS 21 1HG LYS 21 4.890 -16.030 -0.873 151 1HD LYS 21 1HD LYS 21 2.602 -17.951 -1.297 152 2HD LYS 21 2HD LYS 21 4.074 -18.582 -0.555 153 1HE LYS 21 1HE LYS 21 2.389 -17.788 1.115 154 2HE LYS 21 2HE LYS 21 3.982 -17.031 1.272 155 1HZ LYS 21 2HZ LYS 21 1.714 -15.779 -0.102 156 2HZ LYS 21 1HZ LYS 21 2.157 -15.484 1.461 157 3HZ LYS 21 3HZ LYS 21 3.186 -15.107 0.239 158 H GLU 22 HN GLU 22 5.322 -13.085 -4.615 159 HA GLU 22 HA GLU 22 3.111 -11.626 -5.585 160 1HB GLU 22 1HB GLU 22 5.540 -10.863 -5.160 161 2HB GLU 22 2HB GLU 22 5.987 -11.738 -6.630 162 1HG GLU 22 2HG GLU 22 4.336 -10.178 -7.864 163 2HG GLU 22 1HG GLU 22 4.231 -9.265 -6.350 164 H GLU 23 HN GLU 23 2.154 -13.753 -6.228 165 HA GLU 23 HA GLU 23 2.433 -14.071 -9.204 166 1HB GLU 23 1HB GLU 23 1.507 -16.104 -7.102 167 2HB GLU 23 2HB GLU 23 1.366 -16.293 -8.858 168 1HG GLU 23 1HG GLU 23 3.320 -17.453 -8.329 169 2HG GLU 23 2HG GLU 23 3.916 -15.915 -8.962 170 H HIS 24 HN HIS 24 -0.242 -15.131 -7.170 171 HA HIS 24 HA HIS 24 -2.040 -13.221 -8.621 172 1HB HIS 24 2HB HIS 24 -2.227 -15.610 -9.308 173 2HB HIS 24 1HB HIS 24 -2.745 -16.017 -7.672 174 HD2 HIS 24 HD2 HIS 24 -5.042 -13.671 -7.185 175 HE1 HIS 24 HE1 HIS 24 -6.624 -15.044 -10.851 176 HE2 HIS 24 HE2 HIS 24 -7.153 -13.782 -8.710 177 H LYS 25 HN LYS 25 -1.376 -11.817 -6.810 178 HA LYS 25 HA LYS 25 -3.368 -12.049 -4.655 179 1HB LYS 25 1HB LYS 25 -0.649 -10.921 -4.033 180 2HB LYS 25 2HB LYS 25 -1.912 -11.386 -2.922 181 1HG LYS 25 2HG LYS 25 -0.259 -13.359 -4.568 182 2HG LYS 25 1HG LYS 25 0.195 -12.785 -2.971 183 1HD LYS 25 1HD LYS 25 -1.938 -13.608 -2.013 184 2HD LYS 25 2HD LYS 25 -2.367 -14.312 -3.572 185 1HE LYS 25 2HE LYS 25 -0.020 -15.046 -1.774 186 2HE LYS 25 1HE LYS 25 -1.432 -16.034 -2.216 187 1HZ LYS 25 3HZ LYS 25 -0.610 -15.990 -4.491 188 2HZ LYS 25 2HZ LYS 25 0.737 -15.161 -4.003 189 3HZ LYS 25 1HZ LYS 25 0.470 -16.690 -3.458 190 HA PRO 26 HA PRO 26 -3.289 -7.699 -6.170 191 1HB PRO 26 2HB PRO 26 -4.682 -6.390 -4.212 192 2HB PRO 26 1HB PRO 26 -5.482 -7.430 -5.422 193 1HG PRO 26 1HG PRO 26 -4.621 -8.193 -2.640 194 2HG PRO 26 2HG PRO 26 -6.228 -8.439 -3.379 195 1HD PRO 26 1HD PRO 26 -4.378 -10.452 -3.351 196 2HD PRO 26 2HD PRO 26 -5.328 -10.190 -4.819 197 H ILE 27 HN ILE 27 -0.975 -7.819 -5.916 198 HA ILE 27 HA ILE 27 0.182 -6.932 -3.350 199 HB ILE 27 HB ILE 27 1.519 -7.297 -6.065 200 1HG1 ILE 27 2HG12 ILE 27 2.458 -9.298 -4.338 201 2HG1 ILE 27 1HG11 ILE 27 0.747 -9.214 -3.941 202 1HG2 ILE 27 3HG23 ILE 27 2.696 -5.756 -4.484 203 2HG2 ILE 27 1HG21 ILE 27 2.703 -7.049 -3.270 204 3HG2 ILE 27 2HG22 ILE 27 3.592 -7.249 -4.794 205 1HD1 ILE 27 3HD13 ILE 27 0.472 -9.284 -6.607 206 2HD1 ILE 27 2HD12 ILE 27 2.096 -9.931 -6.548 207 3HD1 ILE 27 1HD11 ILE 27 0.811 -10.791 -5.717 208 H VAL 28 HN VAL 28 -1.033 -5.020 -3.133 209 HA VAL 28 HA VAL 28 -1.017 -3.077 -5.392 210 HB VAL 28 HB VAL 28 -3.267 -3.732 -4.567 211 1HG1 VAL 28 3HG23 VAL 28 -2.811 -4.192 -2.221 212 2HG1 VAL 28 2HG22 VAL 28 -2.547 -2.461 -1.938 213 3HG1 VAL 28 1HG21 VAL 28 -4.132 -3.043 -2.453 214 1HG2 VAL 28 3HG13 VAL 28 -2.448 -0.850 -4.153 215 2HG2 VAL 28 1HG11 VAL 28 -2.962 -1.618 -5.652 216 3HG2 VAL 28 2HG12 VAL 28 -4.119 -1.439 -4.327 217 H VAL 29 HN VAL 29 -0.009 -1.119 -5.078 218 HA VAL 29 HA VAL 29 1.232 -0.679 -2.382 219 HB VAL 29 HB VAL 29 2.920 -1.158 -4.070 220 1HG1 VAL 29 1HG11 VAL 29 1.746 -0.467 -6.076 221 2HG1 VAL 29 2HG12 VAL 29 1.833 1.249 -5.592 222 3HG1 VAL 29 3HG13 VAL 29 3.306 0.336 -5.964 223 1HG2 VAL 29 2HG22 VAL 29 2.914 1.792 -3.279 224 2HG2 VAL 29 3HG23 VAL 29 3.551 0.431 -2.325 225 3HG2 VAL 29 1HG21 VAL 29 4.290 0.868 -3.868 226 H ASP 30 HN ASP 30 1.169 1.330 -1.512 227 HA ASP 30 HA ASP 30 -0.604 3.373 -2.807 228 1HB ASP 30 1HB ASP 30 -1.830 2.687 -0.868 229 2HB ASP 30 2HB ASP 30 -0.364 2.485 0.074 230 H PHE 31 HN PHE 31 0.775 4.897 -3.561 231 HA PHE 31 HA PHE 31 3.140 5.606 -1.862 232 1HB PHE 31 2HB PHE 31 2.707 5.959 -4.864 233 2HB PHE 31 1HB PHE 31 4.053 6.555 -3.922 234 HD1 PHE 31 HD2 PHE 31 5.656 4.944 -2.802 235 HD2 PHE 31 HD1 PHE 31 2.833 3.776 -5.843 236 HE1 PHE 31 HE2 PHE 31 7.256 3.244 -3.639 237 HE2 PHE 31 HE1 PHE 31 4.494 2.172 -6.757 238 HZ PHE 31 HZ PHE 31 6.721 1.935 -5.689 239 H THR 32 HN THR 32 2.518 7.431 -0.709 240 HA THR 32 HA THR 32 1.376 9.702 -2.206 241 HB THR 32 HB THR 32 -0.600 8.490 -1.301 242 HG1 THR 32 HG1 THR 32 -1.419 10.383 -0.242 243 1HG2 THR 32 3HG23 THR 32 0.413 7.474 0.731 244 2HG2 THR 32 1HG21 THR 32 0.606 9.092 1.447 245 3HG2 THR 32 2HG22 THR 32 -1.014 8.446 1.121 246 H ALA 33 HN ALA 33 1.147 11.505 -0.338 247 HA ALA 33 HA ALA 33 3.873 11.724 0.908 248 1HB ALA 33 3HB ALA 33 3.808 13.011 -1.199 249 2HB ALA 33 1HB ALA 33 2.347 13.861 -0.642 250 3HB ALA 33 2HB ALA 33 3.885 14.089 0.205 251 H THR 34 HN THR 34 3.919 13.570 2.477 252 HA THR 34 HA THR 34 1.629 13.377 4.353 253 HB THR 34 HB THR 34 3.297 14.321 5.946 254 HG1 THR 34 HG1 THR 34 5.203 13.931 3.863 255 1HG2 THR 34 1HG21 THR 34 3.073 11.850 5.655 256 2HG2 THR 34 3HG23 THR 34 4.336 11.904 4.406 257 3HG2 THR 34 2HG22 THR 34 4.729 12.330 6.081 258 H TRP 35 HN TRP 35 3.946 15.898 3.551 259 HA TRP 35 HA TRP 35 2.779 18.189 4.357 260 1HB TRP 35 1HB TRP 35 4.041 19.327 2.517 261 2HB TRP 35 2HB TRP 35 4.979 18.155 3.435 262 HD1 TRP 35 HD1 TRP 35 6.018 16.118 2.158 263 HE1 TRP 35 HE1 TRP 35 6.098 15.338 -0.256 264 HE3 TRP 35 HE3 TRP 35 2.704 19.470 0.106 265 HZ2 TRP 35 HZ2 TRP 35 4.923 16.075 -2.782 266 HZ3 TRP 35 HZ3 TRP 35 2.193 19.372 -2.311 267 HH2 TRP 35 HH2 TRP 35 3.292 17.686 -3.765 268 H CYS 36 HN CYS 36 1.787 16.454 1.465 269 HA CYS 36 HA CYS 36 0.225 18.413 0.166 270 1HB CYS 36 2HB CYS 36 -0.837 16.532 -0.926 271 2HB CYS 36 1HB CYS 36 0.883 16.156 -0.731 272 H GLY 37 HN GLY 37 -0.435 16.716 3.177 273 1HA GLY 37 1HA GLY 37 -2.136 17.056 4.678 274 2HA GLY 37 2HA GLY 37 -2.848 18.250 3.584 275 HA PRO 38 HA PRO 38 -6.191 15.261 3.214 276 1HB PRO 38 1HB PRO 38 -6.254 16.460 0.424 277 2HB PRO 38 2HB PRO 38 -7.642 15.962 1.439 278 1HG PRO 38 2HG PRO 38 -6.899 18.558 1.429 279 2HG PRO 38 1HG PRO 38 -7.213 17.756 2.996 280 1HD PRO 38 2HD PRO 38 -4.565 18.366 1.703 281 2HD PRO 38 1HD PRO 38 -5.047 18.484 3.422 282 H CYS 39 HN CYS 39 -3.871 15.401 0.511 283 HA CYS 39 HA CYS 39 -4.564 12.912 -0.650 284 1HB CYS 39 1HB CYS 39 -2.963 13.343 -2.109 285 2HB CYS 39 2HB CYS 39 -2.836 14.913 -1.340 286 H LYS 40 HN LYS 40 -2.768 13.537 2.325 287 HA LYS 40 HA LYS 40 -1.445 10.977 2.398 288 1HB LYS 40 1HB LYS 40 -0.721 12.974 3.735 289 2HB LYS 40 2HB LYS 40 -2.218 12.875 4.657 290 1HG LYS 40 1HG LYS 40 -0.347 11.934 5.900 291 2HG LYS 40 2HG LYS 40 -1.585 10.712 5.603 292 1HD LYS 40 2HD LYS 40 -0.212 9.757 3.757 293 2HD LYS 40 1HD LYS 40 1.006 11.019 4.015 294 1HE LYS 40 2HE LYS 40 1.359 10.154 6.336 295 2HE LYS 40 1HE LYS 40 0.193 8.860 5.998 296 1HZ LYS 40 1HZ LYS 40 1.633 8.150 4.207 297 2HZ LYS 40 3HZ LYS 40 2.734 9.320 4.573 298 3HZ LYS 40 2HZ LYS 40 2.416 8.124 5.655 299 H MET 41 HN MET 41 -4.687 12.131 3.154 300 HA MET 41 HA MET 41 -5.384 10.216 5.170 301 1HB MET 41 1HB MET 41 -7.199 11.749 3.259 302 2HB MET 41 2HB MET 41 -7.683 10.951 4.759 303 1HG MET 41 1HG MET 41 -5.759 13.304 4.563 304 2HG MET 41 2HG MET 41 -7.442 13.367 5.081 305 1HE MET 41 3HE MET 41 -6.378 14.835 7.077 306 2HE MET 41 1HE MET 41 -5.200 14.181 8.240 307 3HE MET 41 2HE MET 41 -4.712 14.472 6.553 308 H ILE 42 HN ILE 42 -5.020 9.856 1.749 309 HA ILE 42 HA ILE 42 -6.877 7.712 1.341 310 HB ILE 42 HB ILE 42 -4.184 8.227 0.017 311 1HG1 ILE 42 1HG11 ILE 42 -6.888 9.109 -1.069 312 2HG1 ILE 42 2HG12 ILE 42 -5.889 10.183 -0.082 313 1HG2 ILE 42 2HG22 ILE 42 -6.636 6.540 -0.663 314 2HG2 ILE 42 3HG23 ILE 42 -5.475 6.984 -1.904 315 3HG2 ILE 42 1HG21 ILE 42 -4.953 6.002 -0.526 316 1HD1 ILE 42 3HD13 ILE 42 -3.972 9.856 -1.636 317 2HD1 ILE 42 2HD12 ILE 42 -5.040 8.968 -2.729 318 3HD1 ILE 42 1HD11 ILE 42 -5.378 10.668 -2.335 319 H ALA 43 HN ALA 43 -3.634 7.959 2.761 320 HA ALA 43 HA ALA 43 -2.874 5.259 2.617 321 1HB ALA 43 1HB ALA 43 -1.302 7.041 3.109 322 2HB ALA 43 3HB ALA 43 -2.075 7.392 4.660 323 3HB ALA 43 2HB ALA 43 -1.263 5.846 4.405 324 HA PRO 44 HA PRO 44 -4.653 4.358 6.978 325 1HB PRO 44 1HB PRO 44 -6.713 5.978 7.939 326 2HB PRO 44 2HB PRO 44 -4.995 6.087 8.409 327 1HG PRO 44 1HG PRO 44 -6.451 7.695 6.314 328 2HG PRO 44 2HG PRO 44 -5.332 8.294 7.570 329 1HD PRO 44 2HD PRO 44 -4.418 7.913 5.078 330 2HD PRO 44 1HD PRO 44 -3.442 7.361 6.460 331 H LEU 45 HN LEU 45 -6.788 5.887 4.578 332 HA LEU 45 HA LEU 45 -9.013 4.109 4.881 333 1HB LEU 45 2HB LEU 45 -7.939 5.907 2.714 334 2HB LEU 45 1HB LEU 45 -9.104 4.692 2.227 335 HG LEU 45 HG LEU 45 -9.589 6.589 4.570 336 1HD1 LEU 45 2HD12 LEU 45 -9.131 7.955 2.564 337 2HD1 LEU 45 1HD11 LEU 45 -10.367 7.048 1.662 338 3HD1 LEU 45 3HD13 LEU 45 -10.832 8.057 3.045 339 1HD2 LEU 45 2HD22 LEU 45 -11.497 5.053 2.735 340 2HD2 LEU 45 1HD21 LEU 45 -11.125 4.621 4.415 341 3HD2 LEU 45 3HD23 LEU 45 -11.980 6.127 4.061 342 H PHE 46 HN PHE 46 -6.265 4.002 2.600 343 HA PHE 46 HA PHE 46 -6.790 1.449 1.458 344 1HB PHE 46 2HB PHE 46 -5.290 3.040 0.471 345 2HB PHE 46 1HB PHE 46 -4.291 3.085 1.900 346 HD1 PHE 46 HD1 PHE 46 -2.728 1.166 2.408 347 HD2 PHE 46 HD2 PHE 46 -5.148 1.093 -1.167 348 HE1 PHE 46 HE1 PHE 46 -0.957 -0.089 1.230 349 HE2 PHE 46 HE2 PHE 46 -3.375 -0.104 -2.331 350 HZ PHE 46 HZ PHE 46 -1.230 -0.651 -1.179 351 H GLU 47 HN GLU 47 -4.949 2.396 4.395 352 HA GLU 47 HA GLU 47 -4.046 -0.210 5.070 353 1HB GLU 47 2HB GLU 47 -3.261 2.008 5.981 354 2HB GLU 47 1HB GLU 47 -4.689 2.023 7.028 355 1HG GLU 47 1HG GLU 47 -3.951 -0.002 8.157 356 2HG GLU 47 2HG GLU 47 -2.713 -0.309 6.932 357 H THR 48 HN THR 48 -7.082 1.541 5.850 358 HA THR 48 HA THR 48 -8.166 -0.453 7.587 359 HB THR 48 HB THR 48 -9.710 1.432 5.745 360 HG1 THR 48 HG1 THR 48 -8.198 2.499 7.155 361 1HG2 THR 48 1HG21 THR 48 -10.451 0.054 8.362 362 2HG2 THR 48 3HG23 THR 48 -11.441 1.247 7.499 363 3HG2 THR 48 2HG22 THR 48 -11.115 -0.329 6.760 364 H LEU 49 HN LEU 49 -8.463 0.062 4.003 365 HA LEU 49 HA LEU 49 -9.951 -2.313 3.505 366 1HB LEU 49 1HB LEU 49 -8.004 -0.724 1.817 367 2HB LEU 49 2HB LEU 49 -8.825 -2.157 1.187 368 HG LEU 49 HG LEU 49 -10.478 -0.017 2.510 369 1HD1 LEU 49 2HD22 LEU 49 -9.051 1.225 0.926 370 2HD1 LEU 49 3HD23 LEU 49 -9.500 0.101 -0.377 371 3HD1 LEU 49 1HD21 LEU 49 -10.720 1.162 0.365 372 1HD2 LEU 49 3HD13 LEU 49 -11.526 -2.168 1.836 373 2HD2 LEU 49 1HD11 LEU 49 -12.172 -0.804 0.913 374 3HD2 LEU 49 2HD12 LEU 49 -10.992 -1.896 0.163 375 H SER 50 HN SER 50 -6.432 -1.831 3.868 376 HA SER 50 HA SER 50 -5.553 -4.439 3.177 377 1HB SER 50 1HB SER 50 -4.333 -2.846 5.471 378 2HB SER 50 2HB SER 50 -3.595 -3.972 4.356 379 HG SER 50 HG SER 50 -4.738 -1.682 3.247 380 H ASN 51 HN ASN 51 -6.480 -3.146 6.371 381 HA ASN 51 HA ASN 51 -6.381 -5.565 7.861 382 1HB ASN 51 2HB ASN 51 -6.547 -3.560 9.081 383 2HB ASN 51 1HB ASN 51 -7.889 -2.939 8.132 384 1HD2 ASN 51 2HD22 ASN 51 -10.415 -4.594 10.016 385 2HD2 ASN 51 1HD21 ASN 51 -10.129 -3.798 8.485 386 H ASP 52 HN ASP 52 -9.068 -4.065 6.047 387 HA ASP 52 HA ASP 52 -11.070 -5.905 6.824 388 1HB ASP 52 2HB ASP 52 -10.861 -4.261 4.266 389 2HB ASP 52 1HB ASP 52 -12.330 -5.004 4.906 390 H TYR 53 HN TYR 53 -8.867 -5.959 3.968 391 HA TYR 53 HA TYR 53 -10.215 -8.367 2.925 392 1HB TYR 53 2HB TYR 53 -7.894 -6.642 2.048 393 2HB TYR 53 1HB TYR 53 -8.153 -8.255 1.381 394 HD1 TYR 53 HD2 TYR 53 -10.159 -5.080 1.996 395 HD2 TYR 53 HD1 TYR 53 -9.499 -8.553 -0.483 396 HE1 TYR 53 HE2 TYR 53 -11.970 -4.359 0.490 397 HE2 TYR 53 HE1 TYR 53 -11.332 -7.836 -1.967 398 HH TYR 53 HH TYR 53 -12.977 -6.265 -2.354 399 H ALA 54 HN ALA 54 -7.120 -7.584 4.541 400 HA ALA 54 HA ALA 54 -5.667 -8.752 5.736 401 1HB ALA 54 2HB ALA 54 -7.658 -9.096 7.129 402 2HB ALA 54 1HB ALA 54 -8.056 -10.583 6.257 403 3HB ALA 54 3HB ALA 54 -6.574 -10.488 7.223 404 H GLY 55 HN GLY 55 -7.489 -11.397 4.210 405 1HA GLY 55 1HA GLY 55 -5.642 -13.447 4.486 406 2HA GLY 55 2HA GLY 55 -6.916 -13.361 3.261 407 H LYS 56 HN LYS 56 -6.206 -13.681 1.235 408 HA LYS 56 HA LYS 56 -3.346 -13.781 0.651 409 1HB LYS 56 1HB LYS 56 -4.187 -14.626 -1.560 410 2HB LYS 56 2HB LYS 56 -4.694 -15.559 -0.160 411 1HG LYS 56 1HG LYS 56 -6.914 -14.877 -0.366 412 2HG LYS 56 2HG LYS 56 -6.519 -13.413 -1.283 413 1HD LYS 56 2HD LYS 56 -5.607 -15.928 -2.627 414 2HD LYS 56 1HD LYS 56 -7.320 -15.861 -2.318 415 1HE LYS 56 1HE LYS 56 -6.895 -14.920 -4.518 416 2HE LYS 56 2HE LYS 56 -7.473 -13.641 -3.439 417 1HZ LYS 56 2HZ LYS 56 -5.141 -13.021 -3.130 418 2HZ LYS 56 3HZ LYS 56 -4.694 -14.133 -4.268 419 3HZ LYS 56 1HZ LYS 56 -5.662 -12.872 -4.688 420 H VAL 57 HN VAL 57 -3.608 -11.265 1.283 421 HA VAL 57 HA VAL 57 -3.434 -9.755 -1.282 422 HB VAL 57 HB VAL 57 -4.681 -7.918 -0.322 423 1HG1 VAL 57 2HG22 VAL 57 -5.930 -9.885 -1.435 424 2HG1 VAL 57 3HG23 VAL 57 -6.411 -10.365 0.199 425 3HG1 VAL 57 1HG21 VAL 57 -6.886 -8.781 -0.444 426 1HG2 VAL 57 2HG12 VAL 57 -5.035 -9.662 2.154 427 2HG2 VAL 57 1HG11 VAL 57 -4.155 -8.121 2.072 428 3HG2 VAL 57 3HG13 VAL 57 -5.901 -8.153 1.863 429 H ILE 58 HN ILE 58 -2.016 -7.968 -1.275 430 HA ILE 58 HA ILE 58 -0.326 -7.607 1.156 431 HB ILE 58 HB ILE 58 0.592 -8.311 -1.663 432 1HG1 ILE 58 2HG12 ILE 58 2.140 -9.717 0.101 433 2HG1 ILE 58 1HG11 ILE 58 0.658 -9.629 1.033 434 1HG2 ILE 58 3HG23 ILE 58 2.202 -7.056 0.589 435 2HG2 ILE 58 1HG21 ILE 58 2.905 -7.830 -0.847 436 3HG2 ILE 58 2HG22 ILE 58 1.908 -6.393 -1.027 437 1HD1 ILE 58 1HD11 ILE 58 -0.559 -10.589 -1.000 438 2HD1 ILE 58 3HD13 ILE 58 1.021 -10.725 -1.790 439 3HD1 ILE 58 2HD12 ILE 58 0.677 -11.653 -0.315 440 H PHE 59 HN PHE 59 -0.768 -5.606 1.716 441 HA PHE 59 HA PHE 59 -1.278 -3.506 -0.363 442 1HB PHE 59 1HB PHE 59 -2.254 -3.877 2.455 443 2HB PHE 59 2HB PHE 59 -2.228 -2.314 1.682 444 HD1 PHE 59 HD2 PHE 59 -3.512 -5.814 0.956 445 HD2 PHE 59 HD1 PHE 59 -4.186 -1.564 0.701 446 HE1 PHE 59 HE2 PHE 59 -5.941 -6.196 0.564 447 HE2 PHE 59 HE1 PHE 59 -6.575 -1.958 0.298 448 HZ PHE 59 HZ PHE 59 -7.497 -4.279 0.490 449 H LEU 60 HN LEU 60 0.812 -2.939 -0.753 450 HA LEU 60 HA LEU 60 2.780 -2.466 1.371 451 1HB LEU 60 1HB LEU 60 2.775 -1.979 -1.641 452 2HB LEU 60 2HB LEU 60 4.198 -1.817 -0.585 453 HG LEU 60 HG LEU 60 2.596 -4.310 -1.286 454 1HD1 LEU 60 2HD22 LEU 60 4.058 -3.470 -3.077 455 2HD1 LEU 60 3HD23 LEU 60 5.446 -3.484 -1.969 456 3HD1 LEU 60 1HD21 LEU 60 4.655 -5.006 -2.428 457 1HD2 LEU 60 1HD11 LEU 60 5.036 -4.033 0.524 458 2HD2 LEU 60 3HD13 LEU 60 3.414 -4.580 1.022 459 3HD2 LEU 60 2HD12 LEU 60 4.373 -5.574 -0.075 460 H LYS 61 HN LYS 61 1.903 -0.788 2.667 461 HA LYS 61 HA LYS 61 1.179 1.740 1.360 462 1HB LYS 61 1HB LYS 61 0.181 0.572 3.537 463 2HB LYS 61 2HB LYS 61 1.480 1.468 4.331 464 1HG LYS 61 1HG LYS 61 0.599 3.553 3.067 465 2HG LYS 61 2HG LYS 61 -0.731 2.527 2.530 466 1HD LYS 61 1HD LYS 61 -1.648 3.568 4.363 467 2HD LYS 61 2HD LYS 61 -1.142 2.014 5.040 468 1HE LYS 61 2HE LYS 61 0.863 3.037 5.986 469 2HE LYS 61 1HE LYS 61 0.547 4.570 5.171 470 1HZ LYS 61 1HZ LYS 61 -1.165 3.388 7.249 471 2HZ LYS 61 2HZ LYS 61 -0.121 4.645 7.446 472 3HZ LYS 61 3HZ LYS 61 -1.435 4.811 6.467 473 H VAL 62 HN VAL 62 2.805 2.988 0.553 474 HA VAL 62 HA VAL 62 5.368 3.172 2.046 475 HB VAL 62 HB VAL 62 4.775 3.376 -0.942 476 1HG1 VAL 62 1HG11 VAL 62 7.373 3.595 0.620 477 2HG1 VAL 62 2HG12 VAL 62 7.316 3.355 -1.129 478 3HG1 VAL 62 3HG13 VAL 62 6.672 4.836 -0.430 479 1HG2 VAL 62 2HG22 VAL 62 6.223 1.205 0.635 480 2HG2 VAL 62 3HG23 VAL 62 4.662 1.037 -0.188 481 3HG2 VAL 62 1HG21 VAL 62 6.130 1.319 -1.127 482 H ASP 63 HN ASP 63 6.360 5.205 2.103 483 HA ASP 63 HA ASP 63 4.556 7.549 1.665 484 1HB ASP 63 2HB ASP 63 5.098 7.076 4.024 485 2HB ASP 63 1HB ASP 63 6.826 7.199 3.655 486 H VAL 64 HN VAL 64 5.130 8.667 -0.071 487 HA VAL 64 HA VAL 64 7.448 8.230 -1.643 488 HB VAL 64 HB VAL 64 5.385 10.477 -1.516 489 1HG1 VAL 64 1HG11 VAL 64 7.600 10.087 -3.559 490 2HG1 VAL 64 2HG12 VAL 64 6.161 11.089 -3.823 491 3HG1 VAL 64 3HG13 VAL 64 7.306 11.514 -2.548 492 1HG2 VAL 64 2HG22 VAL 64 4.618 8.184 -2.203 493 2HG2 VAL 64 3HG23 VAL 64 4.480 9.370 -3.511 494 3HG2 VAL 64 1HG21 VAL 64 5.824 8.205 -3.503 495 H ASP 65 HN ASP 65 6.692 10.756 0.769 496 HA ASP 65 HA ASP 65 8.949 12.423 0.281 497 1HB ASP 65 1HB ASP 65 7.524 12.018 2.932 498 2HB ASP 65 2HB ASP 65 8.532 13.377 2.443 499 H ALA 66 HN ALA 66 8.446 9.598 2.427 500 HA ALA 66 HA ALA 66 11.087 9.712 3.593 501 1HB ALA 66 1HB ALA 66 9.162 8.629 4.704 502 2HB ALA 66 3HB ALA 66 9.122 7.383 3.439 503 3HB ALA 66 2HB ALA 66 10.531 7.519 4.506 504 H VAL 67 HN VAL 67 9.715 7.193 1.335 505 HA VAL 67 HA VAL 67 12.561 6.561 0.628 506 HB VAL 67 HB VAL 67 11.724 4.606 -0.486 507 1HG1 VAL 67 1HG11 VAL 67 12.604 4.616 1.828 508 2HG1 VAL 67 3HG13 VAL 67 10.950 4.805 2.442 509 3HG1 VAL 67 2HG12 VAL 67 11.419 3.346 1.542 510 1HG2 VAL 67 3HG23 VAL 67 9.349 5.292 -0.921 511 2HG2 VAL 67 1HG21 VAL 67 9.527 3.745 -0.075 512 3HG2 VAL 67 2HG22 VAL 67 9.054 5.207 0.824 513 H ALA 68 HN ALA 68 12.370 8.856 -0.234 514 HA ALA 68 HA ALA 68 11.226 9.534 -2.671 515 1HB ALA 68 3HB ALA 68 12.572 11.067 -1.292 516 2HB ALA 68 2HB ALA 68 14.052 10.171 -1.705 517 3HB ALA 68 1HB ALA 68 13.159 11.047 -2.967 518 H ALA 69 HN ALA 69 14.176 7.605 -2.126 519 HA ALA 69 HA ALA 69 15.051 7.285 -4.784 520 1HB ALA 69 3HB ALA 69 15.247 5.351 -2.434 521 2HB ALA 69 1HB ALA 69 16.211 5.285 -3.925 522 3HB ALA 69 2HB ALA 69 16.382 6.664 -2.821 523 H VAL 70 HN VAL 70 12.782 5.226 -2.877 524 HA VAL 70 HA VAL 70 12.401 3.293 -5.001 525 HB VAL 70 HB VAL 70 10.649 3.930 -2.587 526 1HG1 VAL 70 2HG22 VAL 70 10.753 1.460 -4.380 527 2HG1 VAL 70 1HG21 VAL 70 9.769 1.641 -2.914 528 3HG1 VAL 70 3HG23 VAL 70 9.432 2.640 -4.333 529 1HG2 VAL 70 2HG12 VAL 70 12.961 3.227 -1.939 530 2HG2 VAL 70 3HG13 VAL 70 11.762 1.981 -1.554 531 3HG2 VAL 70 1HG11 VAL 70 12.800 1.804 -2.986 532 H ALA 71 HN ALA 71 10.651 6.157 -3.799 533 HA ALA 71 HA ALA 71 8.441 6.071 -5.544 534 1HB ALA 71 1HB ALA 71 8.639 7.594 -3.612 535 2HB ALA 71 3HB ALA 71 9.888 8.531 -4.454 536 3HB ALA 71 2HB ALA 71 8.243 8.487 -5.094 537 H GLU 72 HN GLU 72 11.554 7.900 -6.112 538 HA GLU 72 HA GLU 72 10.727 8.654 -8.753 539 1HB GLU 72 1HB GLU 72 12.975 9.394 -9.113 540 2HB GLU 72 2HB GLU 72 12.447 9.863 -7.494 541 1HG GLU 72 1HG GLU 72 13.729 7.898 -6.586 542 2HG GLU 72 2HG GLU 72 14.363 7.595 -8.206 543 H ALA 73 HN ALA 73 12.653 5.826 -7.551 544 HA ALA 73 HA ALA 73 13.298 4.759 -10.085 545 1HB ALA 73 2HB ALA 73 14.215 3.906 -7.961 546 2HB ALA 73 3HB ALA 73 12.616 3.273 -7.508 547 3HB ALA 73 1HB ALA 73 13.473 2.601 -8.908 548 H ALA 74 HN ALA 74 10.318 4.397 -8.132 549 HA ALA 74 HA ALA 74 8.985 2.712 -10.125 550 1HB ALA 74 1HB ALA 74 8.096 3.987 -7.521 551 2HB ALA 74 2HB ALA 74 7.086 2.915 -8.521 552 3HB ALA 74 3HB ALA 74 8.589 2.315 -7.798 553 H GLY 75 HN GLY 75 9.788 5.904 -10.386 554 1HA GLY 75 1HA GLY 75 9.040 7.584 -11.711 555 2HA GLY 75 2HA GLY 75 7.926 6.418 -12.451 556 H ILE 76 HN ILE 76 7.819 7.135 -8.994 557 HA ILE 76 HA ILE 76 5.026 7.925 -9.201 558 HB ILE 76 HB ILE 76 6.881 7.928 -6.795 559 1HG1 ILE 76 1HG11 ILE 76 6.809 5.720 -7.742 560 2HG1 ILE 76 2HG12 ILE 76 5.892 5.761 -6.242 561 1HG2 ILE 76 1HG21 ILE 76 3.862 8.150 -7.132 562 2HG2 ILE 76 3HG23 ILE 76 4.647 7.715 -5.603 563 3HG2 ILE 76 2HG22 ILE 76 4.968 9.279 -6.330 564 1HD1 ILE 76 1HD11 ILE 76 4.718 5.765 -9.075 565 2HD1 ILE 76 2HD12 ILE 76 4.831 4.388 -7.993 566 3HD1 ILE 76 3HD13 ILE 76 3.794 5.748 -7.549 567 H THR 77 HN THR 77 5.331 9.595 -10.598 568 HA THR 77 HA THR 77 6.487 12.165 -9.732 569 HB THR 77 HB THR 77 5.509 12.718 -12.099 570 HG1 THR 77 HG1 THR 77 5.565 9.886 -12.367 571 1HG2 THR 77 1HG21 THR 77 7.679 10.583 -11.790 572 2HG2 THR 77 2HG22 THR 77 7.403 11.583 -13.232 573 3HG2 THR 77 3HG23 THR 77 7.913 12.341 -11.713 574 H ALA 78 HN ALA 78 3.402 11.305 -11.261 575 HA ALA 78 HA ALA 78 1.963 13.465 -9.935 576 1HB ALA 78 1HB ALA 78 1.494 12.761 -12.254 577 2HB ALA 78 2HB ALA 78 0.971 11.165 -11.673 578 3HB ALA 78 3HB ALA 78 0.052 12.620 -11.231 579 H MET 79 HN MET 79 2.814 12.325 -7.753 580 HA MET 79 HA MET 79 1.218 10.140 -6.805 581 1HB MET 79 1HB MET 79 2.274 10.401 -4.730 582 2HB MET 79 2HB MET 79 3.461 10.881 -5.942 583 1HG MET 79 2HG MET 79 3.717 12.495 -4.304 584 2HG MET 79 1HG MET 79 2.682 13.300 -5.481 585 1HE MET 79 2HE MET 79 1.046 14.870 -4.584 586 2HE MET 79 3HE MET 79 0.712 15.006 -2.847 587 3HE MET 79 1HE MET 79 2.391 15.081 -3.432 588 HA PRO 80 HA PRO 80 -0.053 9.733 -4.338 589 1HB PRO 80 2HB PRO 80 -2.999 9.519 -4.983 590 2HB PRO 80 1HB PRO 80 -2.156 9.050 -3.472 591 1HG PRO 80 1HG PRO 80 -3.554 11.378 -3.623 592 2HG PRO 80 2HG PRO 80 -1.949 11.329 -2.832 593 1HD PRO 80 2HD PRO 80 -2.656 12.267 -5.631 594 2HD PRO 80 1HD PRO 80 -1.568 13.022 -4.439 595 H THR 81 HN THR 81 0.129 7.538 -5.102 596 HA THR 81 HA THR 81 -1.037 6.873 -7.727 597 HB THR 81 HB THR 81 1.938 6.901 -7.172 598 HG1 THR 81 HG1 THR 81 0.268 8.707 -8.310 599 1HG2 THR 81 1HG21 THR 81 0.386 5.873 -9.580 600 2HG2 THR 81 3HG23 THR 81 2.134 6.198 -9.573 601 3HG2 THR 81 2HG22 THR 81 1.463 4.953 -8.501 602 H PHE 82 HN PHE 82 -1.401 4.765 -8.003 603 HA PHE 82 HA PHE 82 -0.561 2.862 -5.904 604 1HB PHE 82 1HB PHE 82 -3.297 3.287 -7.152 605 2HB PHE 82 2HB PHE 82 -2.948 2.012 -6.017 606 HD1 PHE 82 HD2 PHE 82 -3.292 5.712 -6.449 607 HD2 PHE 82 HD1 PHE 82 -2.889 2.490 -3.607 608 HE1 PHE 82 HE2 PHE 82 -3.568 7.310 -4.599 609 HE2 PHE 82 HE1 PHE 82 -3.292 4.104 -1.761 610 HZ PHE 82 HZ PHE 82 -3.277 6.535 -2.238 611 H HIS 83 HN HIS 83 0.087 0.909 -6.772 612 HA HIS 83 HA HIS 83 -0.396 0.342 -9.662 613 1HB HIS 83 2HB HIS 83 2.178 -0.211 -8.185 614 2HB HIS 83 1HB HIS 83 1.810 -0.617 -9.840 615 HD2 HIS 83 HD2 HIS 83 0.802 2.887 -10.021 616 HE1 HIS 83 HE1 HIS 83 5.013 3.009 -10.265 617 HE2 HIS 83 HE2 HIS 83 2.880 4.320 -10.689 618 H VAL 84 HN VAL 84 -0.440 -1.973 -10.089 619 HA VAL 84 HA VAL 84 -0.637 -3.708 -7.656 620 HB VAL 84 HB VAL 84 -2.199 -4.223 -10.202 621 1HG1 VAL 84 1HG21 VAL 84 -1.773 -6.040 -8.487 622 2HG1 VAL 84 3HG23 VAL 84 -2.590 -5.038 -7.276 623 3HG1 VAL 84 2HG22 VAL 84 -3.483 -5.644 -8.680 624 1HG2 VAL 84 3HG13 VAL 84 -3.113 -2.621 -7.767 625 2HG2 VAL 84 2HG12 VAL 84 -3.017 -2.030 -9.441 626 3HG2 VAL 84 1HG11 VAL 84 -4.190 -3.278 -9.012 627 H TYR 85 HN TYR 85 0.887 -5.310 -7.646 628 HA TYR 85 HA TYR 85 2.402 -5.800 -10.199 629 1HB TYR 85 1HB TYR 85 3.356 -6.159 -7.361 630 2HB TYR 85 2HB TYR 85 4.298 -6.239 -8.851 631 HD1 TYR 85 HD1 TYR 85 4.079 -3.978 -10.361 632 HD2 TYR 85 HD2 TYR 85 3.662 -4.241 -6.080 633 HE1 TYR 85 HE1 TYR 85 4.702 -1.586 -10.150 634 HE2 TYR 85 HE2 TYR 85 4.413 -1.899 -5.869 635 HH TYR 85 HH TYR 85 4.720 0.261 -8.620 636 H LYS 86 HN LYS 86 0.825 -7.523 -10.838 637 HA LYS 86 HA LYS 86 0.761 -9.952 -9.063 638 1HB LYS 86 2HB LYS 86 -0.792 -9.394 -11.628 639 2HB LYS 86 1HB LYS 86 -1.011 -10.741 -10.495 640 1HG LYS 86 2HG LYS 86 -1.496 -8.984 -8.696 641 2HG LYS 86 1HG LYS 86 -1.547 -7.793 -10.001 642 1HD LYS 86 1HD LYS 86 -3.780 -8.462 -9.424 643 2HD LYS 86 2HD LYS 86 -3.438 -9.003 -11.066 644 1HE LYS 86 1HE LYS 86 -3.219 -11.300 -10.341 645 2HE LYS 86 2HE LYS 86 -3.154 -10.824 -8.630 646 1HZ LYS 86 1HZ LYS 86 -5.511 -10.420 -10.355 647 2HZ LYS 86 2HZ LYS 86 -5.283 -11.703 -9.346 648 3HZ LYS 86 3HZ LYS 86 -5.407 -10.187 -8.727 649 H ASP 87 HN ASP 87 0.657 -12.044 -10.794 650 HA ASP 87 HA ASP 87 3.180 -12.572 -11.822 651 1HB ASP 87 1HB ASP 87 0.814 -13.318 -13.547 652 2HB ASP 87 2HB ASP 87 2.307 -14.161 -13.303 653 H GLY 88 HN GLY 88 0.410 -11.118 -13.346 654 1HA GLY 88 1HA GLY 88 1.415 -10.395 -15.900 655 2HA GLY 88 2HA GLY 88 0.007 -9.694 -15.078 656 H VAL 89 HN VAL 89 2.968 -9.421 -13.236 657 HA VAL 89 HA VAL 89 4.477 -7.850 -12.860 658 HB VAL 89 HB VAL 89 3.873 -7.137 -15.785 659 1HG1 VAL 89 2HG22 VAL 89 6.163 -6.425 -14.000 660 2HG1 VAL 89 1HG21 VAL 89 6.424 -6.735 -15.737 661 3HG1 VAL 89 3HG23 VAL 89 5.318 -5.470 -15.256 662 1HG2 VAL 89 1HG11 VAL 89 5.434 -9.391 -14.467 663 2HG2 VAL 89 2HG12 VAL 89 4.197 -9.503 -15.714 664 3HG2 VAL 89 3HG13 VAL 89 5.767 -8.879 -16.135 665 H LYS 90 HN LYS 90 4.401 -5.042 -13.727 666 HA LYS 90 HA LYS 90 2.417 -3.926 -11.975 667 1HB LYS 90 1HB LYS 90 4.566 -2.806 -12.610 668 2HB LYS 90 2HB LYS 90 3.950 -2.626 -14.262 669 1HG LYS 90 1HG LYS 90 2.006 -1.285 -13.326 670 2HG LYS 90 2HG LYS 90 2.675 -1.513 -11.719 671 1HD LYS 90 2HD LYS 90 3.249 0.697 -12.561 672 2HD LYS 90 1HD LYS 90 4.708 -0.257 -12.304 673 1HE LYS 90 1HE LYS 90 4.684 1.107 -14.418 674 2HE LYS 90 2HE LYS 90 4.989 -0.613 -14.690 675 1HZ LYS 90 3HZ LYS 90 2.356 0.669 -14.977 676 2HZ LYS 90 2HZ LYS 90 3.385 0.335 -16.228 677 3HZ LYS 90 1HZ LYS 90 2.735 -0.889 -15.337 678 H ALA 91 HN ALA 91 0.671 -5.204 -12.700 679 HA ALA 91 HA ALA 91 -0.101 -5.330 -15.417 680 1HB ALA 91 1HB ALA 91 -0.482 -7.136 -13.735 681 2HB ALA 91 2HB ALA 91 -1.631 -6.097 -12.872 682 3HB ALA 91 3HB ALA 91 -2.011 -6.667 -14.511 683 H ASP 92 HN ASP 92 -1.108 -3.325 -12.696 684 HA ASP 92 HA ASP 92 -2.894 -1.759 -14.400 685 1HB ASP 92 1HB ASP 92 -4.186 -3.700 -13.309 686 2HB ASP 92 2HB ASP 92 -3.885 -2.905 -11.753 687 H ASP 93 HN ASP 93 -3.379 0.312 -13.373 688 HA ASP 93 HA ASP 93 -1.731 1.125 -11.096 689 1HB ASP 93 1HB ASP 93 -1.387 2.437 -13.822 690 2HB ASP 93 2HB ASP 93 -0.670 2.995 -12.310 691 H LEU 94 HN LEU 94 -2.216 3.367 -10.499 692 HA LEU 94 HA LEU 94 -4.586 4.683 -11.596 693 1HB LEU 94 2HB LEU 94 -5.573 2.919 -10.361 694 2HB LEU 94 1HB LEU 94 -4.498 3.100 -8.983 695 HG LEU 94 HG LEU 94 -6.890 3.699 -8.736 696 1HD1 LEU 94 1HD21 LEU 94 -5.253 4.434 -7.113 697 2HD1 LEU 94 2HD22 LEU 94 -5.047 5.979 -7.982 698 3HD1 LEU 94 3HD23 LEU 94 -6.599 5.544 -7.247 699 1HD2 LEU 94 2HD12 LEU 94 -6.778 4.985 -11.055 700 2HD2 LEU 94 1HD11 LEU 94 -7.852 5.559 -9.780 701 3HD2 LEU 94 3HD13 LEU 94 -6.311 6.363 -10.045 702 H VAL 95 HN VAL 95 -4.622 6.895 -10.937 703 HA VAL 95 HA VAL 95 -2.503 7.784 -9.076 704 HB VAL 95 HB VAL 95 -2.123 9.714 -10.585 705 1HG1 VAL 95 1HG11 VAL 95 -0.599 7.791 -10.624 706 2HG1 VAL 95 3HG13 VAL 95 -1.567 7.025 -11.904 707 3HG1 VAL 95 2HG12 VAL 95 -0.727 8.558 -12.214 708 1HG2 VAL 95 1HG21 VAL 95 -4.267 9.655 -11.855 709 2HG2 VAL 95 3HG23 VAL 95 -2.851 9.659 -12.914 710 3HG2 VAL 95 2HG22 VAL 95 -3.746 8.154 -12.650 711 H GLY 96 HN GLY 96 -2.861 9.893 -8.181 712 1HA GLY 96 1HA GLY 96 -4.131 11.639 -7.350 713 2HA GLY 96 2HA GLY 96 -5.441 11.218 -8.467 714 H ALA 97 HN ALA 97 -6.422 11.928 -6.178 715 HA ALA 97 HA ALA 97 -6.550 9.804 -4.179 716 1HB ALA 97 1HB ALA 97 -6.621 12.246 -3.614 717 2HB ALA 97 3HB ALA 97 -8.171 12.375 -4.470 718 3HB ALA 97 2HB ALA 97 -8.038 11.365 -3.014 719 H SER 98 HN SER 98 -7.280 8.699 -6.582 720 HA SER 98 HA SER 98 -10.172 8.749 -7.023 721 1HB SER 98 1HB SER 98 -8.006 6.957 -8.122 722 2HB SER 98 2HB SER 98 -9.608 7.248 -8.833 723 HG SER 98 HG SER 98 -7.313 8.674 -9.123 724 H GLN 99 HN GLN 99 -10.145 8.181 -4.506 725 HA GLN 99 HA GLN 99 -9.569 5.698 -3.454 726 1HB GLN 99 2HB GLN 99 -10.375 7.671 -2.187 727 2HB GLN 99 1HB GLN 99 -11.991 7.462 -2.868 728 1HG GLN 99 1HG GLN 99 -11.864 6.577 -0.578 729 2HG GLN 99 2HG GLN 99 -12.251 5.307 -1.738 730 1HE2 GLN 99 2HE22 GLN 99 -8.431 5.286 -0.123 731 2HE2 GLN 99 1HE21 GLN 99 -9.164 6.826 -0.543 732 H ASP 100 HN ASP 100 -12.652 6.584 -5.116 733 HA ASP 100 HA ASP 100 -14.000 4.165 -4.837 734 1HB ASP 100 1HB ASP 100 -13.992 5.976 -7.299 735 2HB ASP 100 2HB ASP 100 -15.264 4.847 -6.814 736 H LYS 101 HN LYS 101 -11.627 5.124 -7.356 737 HA LYS 101 HA LYS 101 -11.881 2.609 -8.779 738 1HB LYS 101 1HB LYS 101 -11.196 4.727 -9.880 739 2HB LYS 101 2HB LYS 101 -9.693 4.708 -8.947 740 1HG LYS 101 2HG LYS 101 -8.894 2.746 -10.026 741 2HG LYS 101 1HG LYS 101 -10.500 2.289 -10.607 742 1HD LYS 101 2HD LYS 101 -10.548 4.130 -12.194 743 2HD LYS 101 1HD LYS 101 -8.972 4.708 -11.660 744 1HE LYS 101 1HE LYS 101 -9.551 1.984 -12.934 745 2HE LYS 101 2HE LYS 101 -8.829 3.376 -13.754 746 1HZ LYS 101 3HZ LYS 101 -6.968 3.225 -12.259 747 2HZ LYS 101 2HZ LYS 101 -7.636 1.925 -11.496 748 3HZ LYS 101 1HZ LYS 101 -7.180 1.815 -13.070 749 H LEU 102 HN LEU 102 -9.746 3.930 -6.213 750 HA LEU 102 HA LEU 102 -7.871 1.809 -6.213 751 1HB LEU 102 1HB LEU 102 -7.641 3.948 -4.972 752 2HB LEU 102 2HB LEU 102 -8.888 3.429 -3.830 753 HG LEU 102 HG LEU 102 -7.529 1.642 -2.978 754 1HD1 LEU 102 1HD21 LEU 102 -5.503 2.499 -5.088 755 2HD1 LEU 102 2HD22 LEU 102 -5.123 1.455 -3.700 756 3HD1 LEU 102 3HD23 LEU 102 -6.266 0.901 -4.921 757 1HD2 LEU 102 2HD12 LEU 102 -6.074 4.315 -3.229 758 2HD2 LEU 102 3HD13 LEU 102 -7.321 3.902 -2.035 759 3HD2 LEU 102 1HD11 LEU 102 -5.746 3.096 -1.989 760 H LYS 103 HN LYS 103 -10.992 2.157 -4.401 761 HA LYS 103 HA LYS 103 -10.969 -0.410 -3.186 762 1HB LYS 103 1HB LYS 103 -13.216 1.440 -4.111 763 2HB LYS 103 2HB LYS 103 -13.502 -0.113 -3.322 764 1HG LYS 103 1HG LYS 103 -12.174 0.585 -1.379 765 2HG LYS 103 2HG LYS 103 -11.894 2.177 -2.118 766 1HD LYS 103 1HD LYS 103 -14.295 2.674 -2.059 767 2HD LYS 103 2HD LYS 103 -14.670 1.011 -1.583 768 1HE LYS 103 1HE LYS 103 -14.847 2.422 0.373 769 2HE LYS 103 2HE LYS 103 -13.472 1.327 0.569 770 1HZ LYS 103 2HZ LYS 103 -12.044 3.157 -0.118 771 2HZ LYS 103 1HZ LYS 103 -13.355 4.149 -0.229 772 3HZ LYS 103 3HZ LYS 103 -12.915 3.525 1.231 773 H ALA 104 HN ALA 104 -12.296 0.662 -6.375 774 HA ALA 104 HA ALA 104 -13.236 -1.845 -7.222 775 1HB ALA 104 3HB ALA 104 -13.624 0.334 -8.395 776 2HB ALA 104 2HB ALA 104 -11.956 0.264 -9.012 777 3HB ALA 104 1HB ALA 104 -13.121 -0.982 -9.474 778 H LEU 105 HN LEU 105 -9.893 -0.503 -7.530 779 HA LEU 105 HA LEU 105 -8.796 -2.673 -8.996 780 1HB LEU 105 2HB LEU 105 -7.509 -0.820 -6.929 781 2HB LEU 105 1HB LEU 105 -6.625 -2.044 -7.819 782 HG LEU 105 HG LEU 105 -7.999 0.365 -9.068 783 1HD1 LEU 105 3HD13 LEU 105 -5.102 -0.390 -8.447 784 2HD1 LEU 105 1HD11 LEU 105 -5.562 0.929 -9.518 785 3HD1 LEU 105 2HD12 LEU 105 -6.015 0.991 -7.802 786 1HD2 LEU 105 1HD21 LEU 105 -6.271 -1.822 -10.288 787 2HD2 LEU 105 2HD22 LEU 105 -7.984 -1.510 -10.674 788 3HD2 LEU 105 3HD23 LEU 105 -6.756 -0.321 -11.104 789 H VAL 106 HN VAL 106 -8.838 -2.085 -5.436 790 HA VAL 106 HA VAL 106 -7.595 -4.503 -4.685 791 HB VAL 106 HB VAL 106 -9.768 -2.896 -3.269 792 1HG1 VAL 106 3HG23 VAL 106 -9.664 -5.204 -2.354 793 2HG1 VAL 106 1HG21 VAL 106 -7.914 -5.036 -2.125 794 3HG1 VAL 106 2HG22 VAL 106 -9.049 -4.012 -1.210 795 1HG2 VAL 106 2HG12 VAL 106 -7.597 -1.689 -3.706 796 2HG2 VAL 106 1HG11 VAL 106 -7.917 -1.960 -1.987 797 3HG2 VAL 106 3HG13 VAL 106 -6.749 -2.986 -2.852 798 H ALA 107 HN ALA 107 -11.062 -3.825 -5.052 799 HA ALA 107 HA ALA 107 -12.021 -6.422 -4.540 800 1HB ALA 107 1HB ALA 107 -13.471 -4.417 -4.720 801 2HB ALA 107 2HB ALA 107 -13.170 -4.345 -6.469 802 3HB ALA 107 3HB ALA 107 -14.052 -5.721 -5.775 803 H LYS 108 HN LYS 108 -11.183 -5.036 -7.759 804 HA LYS 108 HA LYS 108 -11.715 -7.357 -9.302 805 1HB LYS 108 1HB LYS 108 -11.345 -5.368 -10.468 806 2HB LYS 108 2HB LYS 108 -9.882 -4.952 -9.603 807 1HG LYS 108 1HG LYS 108 -8.506 -6.221 -10.883 808 2HG LYS 108 2HG LYS 108 -9.681 -7.479 -11.177 809 1HD LYS 108 2HD LYS 108 -10.021 -4.764 -12.467 810 2HD LYS 108 1HD LYS 108 -8.905 -5.961 -13.139 811 1HE LYS 108 1HE LYS 108 -11.815 -6.636 -12.539 812 2HE LYS 108 2HE LYS 108 -11.251 -6.057 -14.116 813 1HZ LYS 108 1HZ LYS 108 -10.241 -8.493 -12.780 814 2HZ LYS 108 3HZ LYS 108 -11.342 -8.444 -14.004 815 3HZ LYS 108 2HZ LYS 108 -9.801 -7.925 -14.254 816 H HIS 109 HN HIS 109 -8.595 -6.144 -8.260 817 HA HIS 109 HA HIS 109 -7.145 -8.442 -9.141 818 1HB HIS 109 1HB HIS 109 -6.357 -6.153 -7.302 819 2HB HIS 109 2HB HIS 109 -5.235 -7.379 -7.911 820 HD2 HIS 109 HD2 HIS 109 -6.864 -4.094 -9.109 821 HE1 HIS 109 HE1 HIS 109 -5.123 -5.871 -12.507 822 HE2 HIS 109 HE2 HIS 109 -6.293 -3.790 -11.646 823 H ALA 110 HN ALA 110 -8.762 -7.871 -6.042 824 HA ALA 110 HA ALA 110 -7.491 -9.959 -4.561 825 1HB ALA 110 3HB ALA 110 -10.354 -8.938 -4.477 826 2HB ALA 110 1HB ALA 110 -9.607 -10.020 -3.286 827 3HB ALA 110 2HB ALA 110 -8.987 -8.375 -3.483 828 H ALA 111 HN ALA 111 -10.073 -9.976 -7.035 829 HA ALA 111 HA ALA 111 -10.512 -12.885 -6.734 830 1HB ALA 111 2HB ALA 111 -11.765 -10.813 -8.592 831 2HB ALA 111 1HB ALA 111 -12.225 -12.523 -8.462 832 3HB ALA 111 3HB ALA 111 -12.458 -11.434 -7.080 833 H ALA 112 HN ALA 112 -9.696 -10.626 -9.385 834 HA ALA 112 HA ALA 112 -7.451 -12.112 -10.349 835 1HB ALA 112 3HB ALA 112 -10.053 -12.335 -11.935 836 2HB ALA 112 2HB ALA 112 -8.441 -12.779 -12.533 837 3HB ALA 112 1HB ALA 112 -9.165 -13.684 -11.191 No H/Q in entry = 837 Start of MODEL 17 1 1H GLY 1 2HN GLY 1 1.180 -13.724 1.098 2 2H GLY 1 1HN GLY 1 2.233 -13.531 2.315 3 3H GLY 1 3HN GLY 1 1.552 -15.005 2.078 4 1HA GLY 1 1HA GLY 1 -0.587 -14.295 2.734 5 2HA GLY 1 2HA GLY 1 0.575 -13.762 3.974 6 H GLY 2 HN GLY 2 -1.433 -12.249 4.300 7 1HA GLY 2 1HA GLY 2 -1.968 -10.184 2.385 8 2HA GLY 2 2HA GLY 2 -2.463 -10.244 4.078 9 H SER 3 HN SER 3 0.397 -9.526 1.997 10 HA SER 3 HA SER 3 1.763 -8.009 4.034 11 1HB SER 3 2HB SER 3 2.022 -7.701 1.023 12 2HB SER 3 1HB SER 3 3.197 -7.292 2.277 13 HG SER 3 HG SER 3 3.690 -9.277 1.293 14 H VAL 4 HN VAL 4 -0.202 -6.826 4.798 15 HA VAL 4 HA VAL 4 -0.925 -4.416 3.204 16 HB VAL 4 HB VAL 4 -2.942 -4.505 4.560 17 1HG1 VAL 4 3HG13 VAL 4 -2.765 -5.943 2.463 18 2HG1 VAL 4 2HG12 VAL 4 -2.503 -7.323 3.539 19 3HG1 VAL 4 1HG11 VAL 4 -4.009 -6.398 3.631 20 1HG2 VAL 4 1HG21 VAL 4 -2.078 -5.348 6.686 21 2HG2 VAL 4 3HG23 VAL 4 -3.441 -6.312 6.115 22 3HG2 VAL 4 2HG22 VAL 4 -1.791 -6.930 5.970 23 H ILE 5 HN ILE 5 1.536 -4.357 4.737 24 HA ILE 5 HA ILE 5 0.755 -2.721 7.138 25 HB ILE 5 HB ILE 5 2.857 -3.321 8.133 26 1HG1 ILE 5 1HG11 ILE 5 3.362 -5.127 5.718 27 2HG1 ILE 5 2HG12 ILE 5 4.215 -3.611 6.058 28 1HG2 ILE 5 2HG22 ILE 5 0.781 -4.746 8.382 29 2HG2 ILE 5 1HG21 ILE 5 1.438 -5.843 7.149 30 3HG2 ILE 5 3HG23 ILE 5 2.288 -5.607 8.689 31 1HD1 ILE 5 2HD12 ILE 5 4.932 -4.556 8.281 32 2HD1 ILE 5 3HD13 ILE 5 4.306 -6.132 7.740 33 3HD1 ILE 5 1HD11 ILE 5 5.624 -5.348 6.860 34 H VAL 6 HN VAL 6 1.956 -0.933 7.702 35 HA VAL 6 HA VAL 6 2.998 0.634 5.453 36 HB VAL 6 HB VAL 6 1.361 1.586 7.066 37 1HG1 VAL 6 1HG11 VAL 6 2.165 0.481 9.167 38 2HG1 VAL 6 3HG13 VAL 6 3.607 1.521 9.128 39 3HG1 VAL 6 2HG12 VAL 6 1.998 2.234 9.310 40 1HG2 VAL 6 1HG21 VAL 6 2.799 3.075 5.800 41 2HG2 VAL 6 2HG22 VAL 6 2.514 3.727 7.419 42 3HG2 VAL 6 3HG23 VAL 6 4.071 2.964 7.041 43 H ILE 7 HN ILE 7 5.187 1.191 5.318 44 HA ILE 7 HA ILE 7 7.069 0.629 7.300 45 HB ILE 7 HB ILE 7 6.616 -1.755 6.708 46 1HG1 ILE 7 1HG11 ILE 7 8.889 -2.512 6.315 47 2HG1 ILE 7 2HG12 ILE 7 9.401 -0.892 5.796 48 1HG2 ILE 7 2HG22 ILE 7 5.988 -1.373 4.315 49 2HG2 ILE 7 3HG23 ILE 7 7.707 -1.119 3.934 50 3HG2 ILE 7 1HG21 ILE 7 7.150 -2.680 4.552 51 1HD1 ILE 7 1HD11 ILE 7 8.304 -1.576 8.564 52 2HD1 ILE 7 3HD13 ILE 7 10.029 -1.517 8.149 53 3HD1 ILE 7 2HD12 ILE 7 9.062 -0.041 8.069 54 H ASP 8 HN ASP 8 6.445 0.949 4.120 55 HA ASP 8 HA ASP 8 7.361 2.152 2.291 56 1HB ASP 8 2HB ASP 8 7.317 4.094 4.649 57 2HB ASP 8 1HB ASP 8 7.295 4.543 2.946 58 H SER 9 HN SER 9 9.439 0.635 3.054 59 HA SER 9 HA SER 9 11.800 2.457 2.915 60 1HB SER 9 1HB SER 9 11.535 -0.094 4.567 61 2HB SER 9 2HB SER 9 13.004 0.877 4.365 62 HG SER 9 HG SER 9 10.556 1.805 5.513 63 H LYS 10 HN LYS 10 13.161 1.875 1.234 64 HA LYS 10 HA LYS 10 12.425 0.220 -0.838 65 1HB LYS 10 2HB LYS 10 14.327 1.929 -0.697 66 2HB LYS 10 1HB LYS 10 15.301 0.656 0.035 67 1HG LYS 10 1HG LYS 10 15.080 -0.744 -1.980 68 2HG LYS 10 2HG LYS 10 13.923 0.394 -2.672 69 1HD LYS 10 1HD LYS 10 16.064 0.707 -3.732 70 2HD LYS 10 2HD LYS 10 15.672 2.149 -2.781 71 1HE LYS 10 1HE LYS 10 17.207 1.414 -0.988 72 2HE LYS 10 2HE LYS 10 17.512 -0.110 -1.845 73 1HZ LYS 10 1HZ LYS 10 18.180 2.575 -2.824 74 2HZ LYS 10 3HZ LYS 10 19.238 1.483 -2.194 75 3HZ LYS 10 2HZ LYS 10 18.475 1.161 -3.617 76 H ALA 11 HN ALA 11 14.524 -0.546 1.859 77 HA ALA 11 HA ALA 11 15.197 -3.242 1.182 78 1HB ALA 11 1HB ALA 11 16.479 -1.833 2.769 79 2HB ALA 11 2HB ALA 11 15.120 -1.888 3.917 80 3HB ALA 11 3HB ALA 11 16.003 -3.374 3.508 81 H ALA 12 HN ALA 12 12.180 -2.038 2.248 82 HA ALA 12 HA ALA 12 11.319 -4.706 3.289 83 1HB ALA 12 3HB ALA 12 11.039 -2.827 4.865 84 2HB ALA 12 1HB ALA 12 10.060 -1.964 3.652 85 3HB ALA 12 2HB ALA 12 9.490 -3.506 4.322 86 H TRP 13 HN TRP 13 10.742 -2.096 0.953 87 HA TRP 13 HA TRP 13 8.320 -2.765 -0.187 88 1HB TRP 13 2HB TRP 13 9.096 -0.912 -1.211 89 2HB TRP 13 1HB TRP 13 10.776 -1.336 -0.969 90 HD1 TRP 13 HD1 TRP 13 12.031 -2.727 -2.839 91 HE1 TRP 13 HE1 TRP 13 11.651 -2.928 -5.379 92 HE3 TRP 13 HE3 TRP 13 7.249 -0.904 -3.120 93 HZ2 TRP 13 HZ2 TRP 13 9.615 -2.354 -7.251 94 HZ3 TRP 13 HZ3 TRP 13 6.183 -0.594 -5.338 95 HH2 TRP 13 HH2 TRP 13 7.315 -1.379 -7.401 96 H ASP 14 HN ASP 14 11.493 -4.280 -0.877 97 HA ASP 14 HA ASP 14 10.429 -6.085 -2.879 98 1HB ASP 14 1HB ASP 14 12.622 -7.094 -2.823 99 2HB ASP 14 2HB ASP 14 12.781 -5.330 -2.769 100 H ALA 15 HN ALA 15 11.534 -6.472 0.441 101 HA ALA 15 HA ALA 15 10.989 -9.132 0.939 102 1HB ALA 15 2HB ALA 15 12.040 -7.549 2.562 103 2HB ALA 15 1HB ALA 15 10.432 -6.880 2.922 104 3HB ALA 15 3HB ALA 15 10.793 -8.571 3.304 105 H GLN 16 HN GLN 16 8.659 -6.483 1.155 106 HA GLN 16 HA GLN 16 6.352 -7.779 2.098 107 1HB GLN 16 2HB GLN 16 7.059 -5.340 0.596 108 2HB GLN 16 1HB GLN 16 5.492 -5.966 0.115 109 1HG GLN 16 2HG GLN 16 5.549 -4.263 1.980 110 2HG GLN 16 1HG GLN 16 4.550 -5.688 2.203 111 1HE2 GLN 16 1HE21 GLN 16 8.016 -5.558 4.466 112 2HE2 GLN 16 2HE22 GLN 16 8.087 -5.053 2.783 113 H LEU 17 HN LEU 17 7.597 -7.625 -1.238 114 HA LEU 17 HA LEU 17 5.406 -9.029 -2.455 115 1HB LEU 17 2HB LEU 17 8.305 -8.944 -3.397 116 2HB LEU 17 1HB LEU 17 6.859 -9.196 -4.357 117 HG LEU 17 HG LEU 17 7.611 -6.589 -3.000 118 1HD1 LEU 17 1HD21 LEU 17 9.044 -7.180 -4.942 119 2HD1 LEU 17 3HD23 LEU 17 7.588 -7.348 -5.945 120 3HD1 LEU 17 2HD22 LEU 17 8.016 -5.770 -5.261 121 1HD2 LEU 17 2HD12 LEU 17 5.339 -7.277 -4.887 122 2HD2 LEU 17 1HD11 LEU 17 5.149 -6.851 -3.171 123 3HD2 LEU 17 3HD13 LEU 17 5.742 -5.643 -4.327 124 H ALA 18 HN ALA 18 8.404 -10.051 -0.874 125 HA ALA 18 HA ALA 18 8.327 -12.778 -1.887 126 1HB ALA 18 2HB ALA 18 10.425 -11.643 -1.235 127 2HB ALA 18 1HB ALA 18 9.884 -11.593 0.456 128 3HB ALA 18 3HB ALA 18 10.164 -13.154 -0.338 129 H LYS 19 HN LYS 19 7.684 -11.265 1.334 130 HA LYS 19 HA LYS 19 6.553 -13.682 2.450 131 1HB LYS 19 2HB LYS 19 5.720 -12.267 4.238 132 2HB LYS 19 1HB LYS 19 7.400 -11.850 3.865 133 1HG LYS 19 1HG LYS 19 6.643 -9.887 2.598 134 2HG LYS 19 2HG LYS 19 4.968 -10.338 2.828 135 1HD LYS 19 1HD LYS 19 5.272 -8.653 4.360 136 2HD LYS 19 2HD LYS 19 5.350 -10.114 5.348 137 1HE LYS 19 2HE LYS 19 7.798 -9.959 5.450 138 2HE LYS 19 1HE LYS 19 7.807 -8.654 4.247 139 1HZ LYS 19 3HZ LYS 19 6.609 -7.288 5.764 140 2HZ LYS 19 1HZ LYS 19 6.605 -8.474 6.912 141 3HZ LYS 19 2HZ LYS 19 8.031 -7.794 6.440 142 H GLY 20 HN GLY 20 5.258 -11.050 0.442 143 1HA GLY 20 1HA GLY 20 2.529 -11.433 0.741 144 2HA GLY 20 2HA GLY 20 3.388 -10.787 -0.663 145 H LYS 21 HN LYS 21 4.729 -12.686 -1.705 146 HA LYS 21 HA LYS 21 4.972 -14.768 -2.632 147 1HB LYS 21 1HB LYS 21 2.042 -15.291 -1.946 148 2HB LYS 21 2HB LYS 21 2.858 -16.117 -3.227 149 1HG LYS 21 1HG LYS 21 2.993 -17.408 -1.218 150 2HG LYS 21 2HG LYS 21 4.588 -16.983 -1.843 151 1HD LYS 21 2HD LYS 21 4.740 -15.161 -0.122 152 2HD LYS 21 1HD LYS 21 3.196 -15.703 0.548 153 1HE LYS 21 2HE LYS 21 5.795 -17.303 0.331 154 2HE LYS 21 1HE LYS 21 5.149 -16.570 1.805 155 1HZ LYS 21 3HZ LYS 21 3.251 -18.027 1.620 156 2HZ LYS 21 2HZ LYS 21 3.876 -18.719 0.259 157 3HZ LYS 21 1HZ LYS 21 4.656 -18.885 1.699 158 H GLU 22 HN GLU 22 5.610 -13.237 -4.066 159 HA GLU 22 HA GLU 22 3.935 -12.012 -6.063 160 1HB GLU 22 1HB GLU 22 6.113 -11.154 -5.147 161 2HB GLU 22 2HB GLU 22 6.958 -12.449 -6.013 162 1HG GLU 22 1HG GLU 22 6.165 -11.526 -8.173 163 2HG GLU 22 2HG GLU 22 5.207 -10.313 -7.318 164 H GLU 23 HN GLU 23 2.999 -14.324 -6.262 165 HA GLU 23 HA GLU 23 4.161 -15.613 -8.728 166 1HB GLU 23 1HB GLU 23 2.570 -16.943 -6.473 167 2HB GLU 23 2HB GLU 23 2.953 -17.656 -8.044 168 1HG GLU 23 2HG GLU 23 4.667 -18.528 -6.809 169 2HG GLU 23 1HG GLU 23 5.462 -17.080 -7.429 170 H HIS 24 HN HIS 24 1.053 -15.225 -6.932 171 HA HIS 24 HA HIS 24 -0.185 -14.013 -9.285 172 1HB HIS 24 2HB HIS 24 -0.451 -16.432 -9.738 173 2HB HIS 24 1HB HIS 24 -1.304 -16.625 -8.203 174 HD2 HIS 24 HD2 HIS 24 -3.681 -14.583 -8.186 175 HE1 HIS 24 HE1 HIS 24 -4.238 -15.317 -12.303 176 HE2 HIS 24 HE2 HIS 24 -5.304 -14.346 -10.172 177 H LYS 25 HN LYS 25 -0.422 -12.195 -7.928 178 HA LYS 25 HA LYS 25 -2.713 -12.289 -6.164 179 1HB LYS 25 2HB LYS 25 0.037 -11.464 -5.095 180 2HB LYS 25 1HB LYS 25 -1.514 -11.171 -4.296 181 1HG LYS 25 1HG LYS 25 -1.840 -13.712 -4.258 182 2HG LYS 25 2HG LYS 25 -0.163 -13.850 -4.813 183 1HD LYS 25 1HD LYS 25 -0.276 -14.157 -2.430 184 2HD LYS 25 2HD LYS 25 0.652 -12.704 -2.811 185 1HE LYS 25 1HE LYS 25 -1.148 -11.257 -2.114 186 2HE LYS 25 2HE LYS 25 -2.319 -12.591 -2.173 187 1HZ LYS 25 1HZ LYS 25 -1.168 -13.569 -0.322 188 2HZ LYS 25 2HZ LYS 25 -0.149 -12.270 -0.230 189 3HZ LYS 25 3HZ LYS 25 -1.764 -12.079 0.044 190 HA PRO 26 HA PRO 26 -2.597 -7.990 -7.729 191 1HB PRO 26 2HB PRO 26 -4.500 -6.816 -6.201 192 2HB PRO 26 1HB PRO 26 -4.916 -8.059 -7.417 193 1HG PRO 26 2HG PRO 26 -4.516 -8.443 -4.462 194 2HG PRO 26 1HG PRO 26 -5.889 -9.010 -5.422 195 1HD PRO 26 1HD PRO 26 -3.845 -10.732 -4.910 196 2HD PRO 26 2HD PRO 26 -4.608 -10.683 -6.515 197 H ILE 27 HN ILE 27 -0.689 -7.203 -7.331 198 HA ILE 27 HA ILE 27 0.142 -6.472 -4.593 199 HB ILE 27 HB ILE 27 1.647 -6.331 -7.216 200 1HG1 ILE 27 1HG11 ILE 27 1.287 -8.628 -5.283 201 2HG1 ILE 27 2HG12 ILE 27 1.052 -8.593 -7.033 202 1HG2 ILE 27 2HG22 ILE 27 2.504 -4.992 -5.200 203 2HG2 ILE 27 1HG21 ILE 27 2.759 -6.557 -4.403 204 3HG2 ILE 27 3HG23 ILE 27 3.625 -6.153 -5.901 205 1HD1 ILE 27 2HD12 ILE 27 3.537 -8.260 -7.305 206 2HD1 ILE 27 3HD13 ILE 27 3.685 -8.630 -5.566 207 3HD1 ILE 27 1HD11 ILE 27 2.996 -9.828 -6.669 208 H VAL 28 HN VAL 28 -1.342 -4.781 -4.245 209 HA VAL 28 HA VAL 28 -1.380 -2.526 -6.171 210 HB VAL 28 HB VAL 28 -2.848 -2.783 -3.518 211 1HG1 VAL 28 2HG12 VAL 28 -3.282 -1.078 -6.022 212 2HG1 VAL 28 3HG13 VAL 28 -4.346 -1.106 -4.608 213 3HG1 VAL 28 1HG11 VAL 28 -2.686 -0.493 -4.458 214 1HG2 VAL 28 1HG21 VAL 28 -3.813 -3.580 -6.298 215 2HG2 VAL 28 3HG23 VAL 28 -3.534 -4.686 -4.933 216 3HG2 VAL 28 2HG22 VAL 28 -4.812 -3.480 -4.834 217 H VAL 29 HN VAL 29 0.180 -0.935 -5.917 218 HA VAL 29 HA VAL 29 1.230 -0.511 -3.145 219 HB VAL 29 HB VAL 29 2.980 -1.565 -4.303 220 1HG1 VAL 29 1HG11 VAL 29 2.309 -1.143 -6.639 221 2HG1 VAL 29 2HG12 VAL 29 2.826 0.549 -6.444 222 3HG1 VAL 29 3HG13 VAL 29 4.013 -0.765 -6.313 223 1HG2 VAL 29 3HG23 VAL 29 3.289 0.586 -2.864 224 2HG2 VAL 29 2HG22 VAL 29 4.652 0.039 -3.852 225 3HG2 VAL 29 1HG21 VAL 29 3.648 1.404 -4.384 226 H ASP 30 HN ASP 30 0.692 1.301 -2.343 227 HA ASP 30 HA ASP 30 -0.333 3.511 -4.016 228 1HB ASP 30 2HB ASP 30 -1.626 2.801 -2.083 229 2HB ASP 30 1HB ASP 30 -0.272 3.102 -0.997 230 H PHE 31 HN PHE 31 1.443 4.428 -4.932 231 HA PHE 31 HA PHE 31 3.760 5.272 -3.304 232 1HB PHE 31 1HB PHE 31 2.945 5.727 -6.184 233 2HB PHE 31 2HB PHE 31 4.365 6.434 -5.430 234 HD1 PHE 31 HD2 PHE 31 6.263 5.003 -4.672 235 HD2 PHE 31 HD1 PHE 31 2.940 3.384 -6.895 236 HE1 PHE 31 HE2 PHE 31 7.707 3.172 -5.497 237 HE2 PHE 31 HE1 PHE 31 4.436 1.644 -7.839 238 HZ PHE 31 HZ PHE 31 6.814 1.526 -7.148 239 H THR 32 HN THR 32 3.361 7.030 -1.964 240 HA THR 32 HA THR 32 1.766 9.313 -3.018 241 HB THR 32 HB THR 32 1.103 7.574 -0.614 242 HG1 THR 32 HG1 THR 32 -0.200 7.240 -2.358 243 1HG2 THR 32 2HG22 THR 32 0.332 10.493 -0.962 244 2HG2 THR 32 1HG21 THR 32 -0.478 9.351 0.130 245 3HG2 THR 32 3HG23 THR 32 1.212 9.776 0.421 246 H ALA 33 HN ALA 33 2.241 11.308 -2.010 247 HA ALA 33 HA ALA 33 4.911 11.409 -0.737 248 1HB ALA 33 3HB ALA 33 3.005 13.600 -1.678 249 2HB ALA 33 1HB ALA 33 4.613 13.861 -0.972 250 3HB ALA 33 2HB ALA 33 4.461 13.022 -2.528 251 H THR 34 HN THR 34 5.120 11.882 1.471 252 HA THR 34 HA THR 34 2.797 11.418 3.171 253 HB THR 34 HB THR 34 4.679 12.328 4.884 254 HG1 THR 34 HG1 THR 34 6.273 11.253 2.798 255 1HG2 THR 34 1HG21 THR 34 4.621 9.639 3.467 256 2HG2 THR 34 3HG23 THR 34 5.588 9.978 4.927 257 3HG2 THR 34 2HG22 THR 34 3.816 10.092 4.981 258 H TRP 35 HN TRP 35 4.876 14.218 2.410 259 HA TRP 35 HA TRP 35 3.151 16.066 3.901 260 1HB TRP 35 1HB TRP 35 4.655 17.769 3.120 261 2HB TRP 35 2HB TRP 35 5.555 16.422 3.802 262 HD1 TRP 35 HD1 TRP 35 7.042 14.926 2.048 263 HE1 TRP 35 HE1 TRP 35 7.969 15.442 -0.265 264 HE3 TRP 35 HE3 TRP 35 4.057 18.893 0.791 265 HZ2 TRP 35 HZ2 TRP 35 7.646 17.426 -2.318 266 HZ3 TRP 35 HZ3 TRP 35 4.424 20.112 -1.341 267 HH2 TRP 35 HH2 TRP 35 6.213 19.380 -2.905 268 H CYS 36 HN CYS 36 1.068 16.022 2.987 269 HA CYS 36 HA CYS 36 0.577 17.690 0.752 270 1HB CYS 36 2HB CYS 36 1.164 16.254 -0.910 271 2HB CYS 36 1HB CYS 36 1.037 14.836 0.115 272 H GLY 37 HN GLY 37 -1.527 18.337 0.867 273 1HA GLY 37 1HA GLY 37 -3.190 17.536 3.054 274 2HA GLY 37 2HA GLY 37 -3.669 18.544 1.673 275 HA PRO 38 HA PRO 38 -6.213 14.369 2.602 276 1HB PRO 38 1HB PRO 38 -6.165 15.261 -0.296 277 2HB PRO 38 2HB PRO 38 -7.459 14.340 0.543 278 1HG PRO 38 2HG PRO 38 -7.284 17.151 0.515 279 2HG PRO 38 1HG PRO 38 -8.116 16.230 1.797 280 1HD PRO 38 1HD PRO 38 -5.841 17.856 2.191 281 2HD PRO 38 2HD PRO 38 -6.461 16.643 3.328 282 H CYS 39 HN CYS 39 -3.214 14.360 0.641 283 HA CYS 39 HA CYS 39 -3.067 11.614 0.063 284 1HB CYS 39 1HB CYS 39 -0.900 13.452 1.169 285 2HB CYS 39 2HB CYS 39 -0.628 11.817 0.630 286 H LYS 40 HN LYS 40 -2.351 13.368 3.016 287 HA LYS 40 HA LYS 40 -1.598 11.326 4.738 288 1HB LYS 40 1HB LYS 40 -1.682 14.004 4.909 289 2HB LYS 40 2HB LYS 40 -3.246 13.704 5.658 290 1HG LYS 40 1HG LYS 40 -1.732 13.849 7.446 291 2HG LYS 40 2HG LYS 40 -1.953 12.101 7.260 292 1HD LYS 40 1HD LYS 40 0.175 12.066 5.849 293 2HD LYS 40 2HD LYS 40 0.377 13.786 6.174 294 1HE LYS 40 2HE LYS 40 0.327 11.547 8.259 295 2HE LYS 40 1HE LYS 40 1.768 12.376 7.654 296 1HZ LYS 40 2HZ LYS 40 0.897 14.418 8.549 297 2HZ LYS 40 3HZ LYS 40 -0.420 13.631 9.153 298 3HZ LYS 40 1HZ LYS 40 1.082 13.279 9.725 299 H MET 41 HN MET 41 -4.827 12.040 3.575 300 HA MET 41 HA MET 41 -6.176 10.428 5.672 301 1HB MET 41 2HB MET 41 -7.288 12.011 3.317 302 2HB MET 41 1HB MET 41 -8.226 11.191 4.566 303 1HG MET 41 2HG MET 41 -7.316 12.666 6.285 304 2HG MET 41 1HG MET 41 -6.263 13.461 5.107 305 1HE MET 41 2HE MET 41 -7.082 15.780 5.976 306 2HE MET 41 1HE MET 41 -8.795 16.263 6.033 307 3HE MET 41 3HE MET 41 -8.196 14.987 7.120 308 H ILE 42 HN ILE 42 -5.538 10.588 2.204 309 HA ILE 42 HA ILE 42 -6.944 8.316 1.318 310 HB ILE 42 HB ILE 42 -4.511 9.778 0.260 311 1HG1 ILE 42 1HG11 ILE 42 -7.368 9.696 -0.803 312 2HG1 ILE 42 2HG12 ILE 42 -6.922 10.815 0.474 313 1HG2 ILE 42 3HG23 ILE 42 -6.083 7.481 -0.974 314 2HG2 ILE 42 1HG21 ILE 42 -5.089 8.589 -1.934 315 3HG2 ILE 42 2HG22 ILE 42 -4.333 7.584 -0.697 316 1HD1 ILE 42 1HD11 ILE 42 -5.135 11.777 -0.979 317 2HD1 ILE 42 2HD12 ILE 42 -5.733 10.760 -2.303 318 3HD1 ILE 42 3HD13 ILE 42 -6.784 11.993 -1.582 319 H ALA 43 HN ALA 43 -3.554 8.563 2.531 320 HA ALA 43 HA ALA 43 -2.903 5.828 2.139 321 1HB ALA 43 2HB ALA 43 -1.920 7.920 4.101 322 2HB ALA 43 3HB ALA 43 -1.336 6.234 4.148 323 3HB ALA 43 1HB ALA 43 -1.135 7.224 2.692 324 HA PRO 44 HA PRO 44 -4.838 4.849 6.579 325 1HB PRO 44 2HB PRO 44 -6.826 7.126 6.520 326 2HB PRO 44 1HB PRO 44 -6.155 6.272 7.934 327 1HG PRO 44 1HG PRO 44 -5.249 8.705 7.037 328 2HG PRO 44 2HG PRO 44 -4.165 7.518 7.824 329 1HD PRO 44 2HD PRO 44 -4.215 8.317 4.976 330 2HD PRO 44 1HD PRO 44 -2.984 7.452 5.928 331 H LEU 45 HN LEU 45 -6.927 6.514 4.193 332 HA LEU 45 HA LEU 45 -9.125 4.711 4.327 333 1HB LEU 45 2HB LEU 45 -8.003 6.428 2.082 334 2HB LEU 45 1HB LEU 45 -9.412 5.433 1.839 335 HG LEU 45 HG LEU 45 -9.102 7.636 3.960 336 1HD1 LEU 45 2HD12 LEU 45 -9.174 8.526 1.638 337 2HD1 LEU 45 3HD13 LEU 45 -10.678 7.631 1.343 338 3HD1 LEU 45 1HD11 LEU 45 -10.637 8.947 2.535 339 1HD2 LEU 45 3HD23 LEU 45 -11.536 5.975 3.146 340 2HD2 LEU 45 2HD22 LEU 45 -10.781 6.046 4.755 341 3HD2 LEU 45 1HD21 LEU 45 -11.621 7.455 4.122 342 H PHE 46 HN PHE 46 -6.389 4.678 2.037 343 HA PHE 46 HA PHE 46 -7.055 2.208 0.755 344 1HB PHE 46 2HB PHE 46 -5.549 3.699 -0.286 345 2HB PHE 46 1HB PHE 46 -4.578 3.855 1.156 346 HD1 PHE 46 HD2 PHE 46 -5.678 1.251 -1.374 347 HD2 PHE 46 HD1 PHE 46 -2.528 2.694 1.181 348 HE1 PHE 46 HE2 PHE 46 -4.088 -0.321 -2.432 349 HE2 PHE 46 HE1 PHE 46 -0.987 0.962 0.252 350 HZ PHE 46 HZ PHE 46 -1.713 -0.429 -1.660 351 H GLU 47 HN GLU 47 -5.171 2.931 3.730 352 HA GLU 47 HA GLU 47 -4.366 0.234 4.209 353 1HB GLU 47 2HB GLU 47 -3.379 2.276 5.256 354 2HB GLU 47 1HB GLU 47 -4.833 2.450 6.251 355 1HG GLU 47 1HG GLU 47 -4.415 0.357 7.384 356 2HG GLU 47 2HG GLU 47 -3.140 -0.087 6.242 357 H THR 48 HN THR 48 -7.334 2.059 5.077 358 HA THR 48 HA THR 48 -8.460 0.039 6.771 359 HB THR 48 HB THR 48 -9.958 2.018 4.989 360 HG1 THR 48 HG1 THR 48 -8.359 2.990 6.403 361 1HG2 THR 48 1HG21 THR 48 -10.704 0.650 7.609 362 2HG2 THR 48 3HG23 THR 48 -11.668 1.874 6.759 363 3HG2 THR 48 2HG22 THR 48 -11.402 0.287 6.013 364 H LEU 49 HN LEU 49 -8.680 0.678 3.230 365 HA LEU 49 HA LEU 49 -10.273 -1.612 2.642 366 1HB LEU 49 2HB LEU 49 -9.764 0.356 1.129 367 2HB LEU 49 1HB LEU 49 -8.171 -0.329 0.850 368 HG LEU 49 HG LEU 49 -9.404 -2.399 -0.047 369 1HD1 LEU 49 1HD11 LEU 49 -11.766 -0.494 0.330 370 2HD1 LEU 49 3HD13 LEU 49 -11.816 -1.848 -0.799 371 3HD1 LEU 49 2HD12 LEU 49 -11.613 -2.160 0.927 372 1HD2 LEU 49 3HD23 LEU 49 -8.421 -0.689 -1.533 373 2HD2 LEU 49 1HD21 LEU 49 -9.928 -1.324 -2.203 374 3HD2 LEU 49 2HD22 LEU 49 -9.904 0.275 -1.423 375 H SER 50 HN SER 50 -6.697 -1.198 2.889 376 HA SER 50 HA SER 50 -6.032 -3.830 2.106 377 1HB SER 50 1HB SER 50 -3.940 -3.431 2.862 378 2HB SER 50 2HB SER 50 -4.493 -1.771 2.614 379 HG SER 50 HG SER 50 -4.975 -1.924 4.991 380 H ASN 51 HN ASN 51 -6.996 -2.568 5.313 381 HA ASN 51 HA ASN 51 -6.706 -5.040 6.709 382 1HB ASN 51 2HB ASN 51 -7.045 -2.667 7.643 383 2HB ASN 51 1HB ASN 51 -8.771 -2.898 7.350 384 1HD2 ASN 51 2HD22 ASN 51 -8.509 -5.782 9.882 385 2HD2 ASN 51 1HD21 ASN 51 -8.734 -5.875 8.148 386 H ASP 52 HN ASP 52 -9.420 -3.580 4.856 387 HA ASP 52 HA ASP 52 -11.416 -5.479 5.457 388 1HB ASP 52 1HB ASP 52 -11.822 -3.357 4.210 389 2HB ASP 52 2HB ASP 52 -10.979 -4.023 2.804 390 H TYR 53 HN TYR 53 -8.996 -5.523 2.787 391 HA TYR 53 HA TYR 53 -9.949 -8.114 1.824 392 1HB TYR 53 1HB TYR 53 -7.653 -6.264 1.133 393 2HB TYR 53 2HB TYR 53 -7.764 -7.898 0.487 394 HD1 TYR 53 HD1 TYR 53 -9.736 -4.683 0.653 395 HD2 TYR 53 HD2 TYR 53 -9.079 -8.423 -1.379 396 HE1 TYR 53 HE1 TYR 53 -10.982 -3.850 -1.298 397 HE2 TYR 53 HE2 TYR 53 -10.356 -7.595 -3.315 398 HH TYR 53 HH TYR 53 -11.491 -5.796 -4.233 399 H ALA 54 HN ALA 54 -7.050 -7.019 3.578 400 HA ALA 54 HA ALA 54 -5.161 -8.298 4.199 401 1HB ALA 54 2HB ALA 54 -6.424 -7.364 6.061 402 2HB ALA 54 1HB ALA 54 -7.457 -8.809 6.129 403 3HB ALA 54 3HB ALA 54 -5.726 -8.924 6.524 404 H GLY 55 HN GLY 55 -5.092 -9.952 2.381 405 1HA GLY 55 1HA GLY 55 -4.525 -12.477 3.465 406 2HA GLY 55 2HA GLY 55 -6.180 -12.571 2.833 407 H LYS 56 HN LYS 56 -6.520 -12.583 0.616 408 HA LYS 56 HA LYS 56 -4.315 -13.443 -1.044 409 1HB LYS 56 1HB LYS 56 -6.504 -14.496 -1.063 410 2HB LYS 56 2HB LYS 56 -7.291 -12.980 -1.500 411 1HG LYS 56 2HG LYS 56 -7.168 -14.649 -3.302 412 2HG LYS 56 1HG LYS 56 -6.498 -13.097 -3.753 413 1HD LYS 56 1HD LYS 56 -4.174 -14.057 -3.255 414 2HD LYS 56 2HD LYS 56 -4.956 -15.634 -3.047 415 1HE LYS 56 1HE LYS 56 -4.956 -13.855 -5.547 416 2HE LYS 56 2HE LYS 56 -4.045 -15.357 -5.341 417 1HZ LYS 56 2HZ LYS 56 -6.973 -15.151 -5.335 418 2HZ LYS 56 1HZ LYS 56 -6.070 -15.602 -6.622 419 3HZ LYS 56 3HZ LYS 56 -6.093 -16.545 -5.262 420 H VAL 57 HN VAL 57 -3.599 -10.880 -0.274 421 HA VAL 57 HA VAL 57 -3.494 -9.451 -2.799 422 HB VAL 57 HB VAL 57 -4.405 -7.351 -1.916 423 1HG1 VAL 57 3HG23 VAL 57 -6.108 -8.877 -3.001 424 2HG1 VAL 57 2HG22 VAL 57 -6.584 -9.400 -1.374 425 3HG1 VAL 57 1HG21 VAL 57 -6.754 -7.709 -1.859 426 1HG2 VAL 57 3HG13 VAL 57 -3.912 -7.663 0.506 427 2HG2 VAL 57 2HG12 VAL 57 -5.593 -7.235 0.252 428 3HG2 VAL 57 1HG11 VAL 57 -5.168 -8.918 0.587 429 H ILE 58 HN ILE 58 -1.968 -7.647 -2.697 430 HA ILE 58 HA ILE 58 -0.363 -7.483 -0.165 431 HB ILE 58 HB ILE 58 0.563 -7.732 -3.027 432 1HG1 ILE 58 1HG11 ILE 58 2.215 -8.883 -0.894 433 2HG1 ILE 58 2HG12 ILE 58 0.609 -9.596 -0.959 434 1HG2 ILE 58 2HG22 ILE 58 1.982 -6.317 -0.732 435 2HG2 ILE 58 3HG23 ILE 58 2.844 -6.967 -2.136 436 3HG2 ILE 58 1HG21 ILE 58 1.631 -5.695 -2.352 437 1HD1 ILE 58 1HD11 ILE 58 0.881 -9.980 -3.404 438 2HD1 ILE 58 3HD13 ILE 58 2.535 -9.326 -3.302 439 3HD1 ILE 58 2HD12 ILE 58 2.106 -10.826 -2.466 440 H PHE 59 HN PHE 59 -0.539 -5.443 0.603 441 HA PHE 59 HA PHE 59 -1.340 -3.226 -1.231 442 1HB PHE 59 2HB PHE 59 -2.402 -4.004 1.463 443 2HB PHE 59 1HB PHE 59 -2.287 -2.305 1.048 444 HD1 PHE 59 HD1 PHE 59 -3.660 -5.416 -0.629 445 HD2 PHE 59 HD2 PHE 59 -4.216 -1.264 0.392 446 HE1 PHE 59 HE1 PHE 59 -6.063 -5.548 -1.281 447 HE2 PHE 59 HE2 PHE 59 -6.567 -1.411 -0.251 448 HZ PHE 59 HZ PHE 59 -7.559 -3.609 -0.879 449 H LEU 60 HN LEU 60 0.670 -2.581 -1.527 450 HA LEU 60 HA LEU 60 2.548 -2.190 0.713 451 1HB LEU 60 1HB LEU 60 2.564 -2.313 -2.261 452 2HB LEU 60 2HB LEU 60 3.720 -1.169 -1.569 453 HG LEU 60 HG LEU 60 3.579 -3.907 -0.344 454 1HD1 LEU 60 2HD12 LEU 60 4.909 -3.267 -2.998 455 2HD1 LEU 60 1HD11 LEU 60 5.149 -4.747 -2.030 456 3HD1 LEU 60 3HD13 LEU 60 3.554 -4.389 -2.726 457 1HD2 LEU 60 3HD23 LEU 60 5.816 -1.917 -1.067 458 2HD2 LEU 60 2HD22 LEU 60 5.083 -2.090 0.543 459 3HD2 LEU 60 1HD21 LEU 60 6.041 -3.414 -0.162 460 H LYS 61 HN LYS 61 2.762 -0.351 1.786 461 HA LYS 61 HA LYS 61 1.658 2.195 0.613 462 1HB LYS 61 1HB LYS 61 2.595 1.501 3.422 463 2HB LYS 61 2HB LYS 61 2.201 3.123 2.850 464 1HG LYS 61 2HG LYS 61 0.255 2.512 3.835 465 2HG LYS 61 1HG LYS 61 -0.095 2.190 2.145 466 1HD LYS 61 2HD LYS 61 0.379 -0.250 2.519 467 2HD LYS 61 1HD LYS 61 0.754 0.090 4.213 468 1HE LYS 61 1HE LYS 61 -1.559 0.803 4.598 469 2HE LYS 61 2HE LYS 61 -1.940 0.611 2.874 470 1HZ LYS 61 3HZ LYS 61 -1.376 -1.721 3.103 471 2HZ LYS 61 2HZ LYS 61 -1.167 -1.535 4.724 472 3HZ LYS 61 1HZ LYS 61 -2.650 -1.302 4.068 473 H VAL 62 HN VAL 62 3.075 3.617 -0.289 474 HA VAL 62 HA VAL 62 5.970 3.365 0.439 475 HB VAL 62 HB VAL 62 4.915 3.297 -2.418 476 1HG1 VAL 62 3HG13 VAL 62 7.729 3.487 -1.258 477 2HG1 VAL 62 2HG12 VAL 62 7.372 3.137 -2.957 478 3HG1 VAL 62 1HG11 VAL 62 6.952 4.714 -2.282 479 1HG2 VAL 62 3HG23 VAL 62 6.547 1.320 -0.752 480 2HG2 VAL 62 2HG22 VAL 62 4.875 1.084 -1.290 481 3HG2 VAL 62 1HG21 VAL 62 6.182 1.167 -2.479 482 H ASP 63 HN ASP 63 5.948 5.171 1.594 483 HA ASP 63 HA ASP 63 5.201 7.739 0.783 484 1HB ASP 63 1HB ASP 63 5.868 7.312 3.058 485 2HB ASP 63 2HB ASP 63 7.497 6.837 2.546 486 H VAL 64 HN VAL 64 5.729 8.419 -1.237 487 HA VAL 64 HA VAL 64 7.978 7.823 -2.823 488 HB VAL 64 HB VAL 64 6.120 10.240 -2.714 489 1HG1 VAL 64 1HG11 VAL 64 8.178 9.540 -4.849 490 2HG1 VAL 64 3HG13 VAL 64 6.848 10.695 -5.068 491 3HG1 VAL 64 2HG12 VAL 64 8.109 11.026 -3.876 492 1HG2 VAL 64 2HG22 VAL 64 5.159 7.961 -3.274 493 2HG2 VAL 64 1HG21 VAL 64 4.986 9.156 -4.568 494 3HG2 VAL 64 3HG23 VAL 64 6.243 7.902 -4.668 495 H ASP 65 HN ASP 65 7.556 10.279 -0.279 496 HA ASP 65 HA ASP 65 9.903 11.817 -0.840 497 1HB ASP 65 2HB ASP 65 8.454 11.433 1.789 498 2HB ASP 65 1HB ASP 65 9.616 12.697 1.381 499 H ALA 66 HN ALA 66 9.426 8.692 0.753 500 HA ALA 66 HA ALA 66 12.194 8.701 1.848 501 1HB ALA 66 1HB ALA 66 9.902 6.707 2.137 502 2HB ALA 66 2HB ALA 66 11.509 6.569 2.874 503 3HB ALA 66 3HB ALA 66 10.434 7.900 3.339 504 H VAL 67 HN VAL 67 10.085 6.474 -0.093 505 HA VAL 67 HA VAL 67 12.556 5.233 -1.174 506 HB VAL 67 HB VAL 67 9.735 4.389 -1.835 507 1HG1 VAL 67 2HG22 VAL 67 11.864 3.473 -2.961 508 2HG1 VAL 67 3HG23 VAL 67 12.283 2.773 -1.402 509 3HG1 VAL 67 1HG21 VAL 67 10.792 2.258 -2.218 510 1HG2 VAL 67 2HG12 VAL 67 11.346 3.670 0.660 511 2HG2 VAL 67 1HG11 VAL 67 9.722 4.397 0.613 512 3HG2 VAL 67 3HG13 VAL 67 9.964 2.732 0.065 513 H ALA 68 HN ALA 68 12.675 7.658 -2.009 514 HA ALA 68 HA ALA 68 11.266 8.533 -4.270 515 1HB ALA 68 1HB ALA 68 12.792 9.943 -2.958 516 2HB ALA 68 3HB ALA 68 14.190 9.009 -3.535 517 3HB ALA 68 2HB ALA 68 13.232 9.976 -4.677 518 H ALA 69 HN ALA 69 14.286 6.616 -4.176 519 HA ALA 69 HA ALA 69 14.865 6.457 -6.890 520 1HB ALA 69 1HB ALA 69 16.345 5.632 -5.116 521 2HB ALA 69 2HB ALA 69 15.222 4.301 -4.759 522 3HB ALA 69 3HB ALA 69 16.056 4.367 -6.326 523 H VAL 70 HN VAL 70 12.807 4.172 -5.010 524 HA VAL 70 HA VAL 70 12.178 2.521 -7.284 525 HB VAL 70 HB VAL 70 10.634 2.907 -4.688 526 1HG1 VAL 70 3HG23 VAL 70 9.292 1.793 -6.477 527 2HG1 VAL 70 1HG21 VAL 70 10.573 0.580 -6.645 528 3HG1 VAL 70 2HG22 VAL 70 9.674 0.737 -5.118 529 1HG2 VAL 70 1HG11 VAL 70 13.017 2.124 -4.342 530 2HG2 VAL 70 2HG12 VAL 70 11.836 0.852 -3.971 531 3HG2 VAL 70 3HG13 VAL 70 12.726 0.827 -5.510 532 H ALA 71 HN ALA 71 10.483 5.233 -5.639 533 HA ALA 71 HA ALA 71 8.159 5.243 -7.243 534 1HB ALA 71 3HB ALA 71 8.438 6.612 -5.214 535 2HB ALA 71 2HB ALA 71 9.612 7.647 -6.048 536 3HB ALA 71 1HB ALA 71 7.929 7.604 -6.597 537 H GLU 72 HN GLU 72 11.150 7.232 -7.841 538 HA GLU 72 HA GLU 72 10.136 8.231 -10.325 539 1HB GLU 72 1HB GLU 72 12.346 9.070 -10.744 540 2HB GLU 72 2HB GLU 72 11.915 9.331 -9.052 541 1HG GLU 72 2HG GLU 72 13.281 7.267 -8.493 542 2HG GLU 72 1HG GLU 72 13.852 7.253 -10.166 543 H ALA 73 HN ALA 73 12.186 5.338 -9.607 544 HA ALA 73 HA ALA 73 12.641 4.652 -12.338 545 1HB ALA 73 2HB ALA 73 13.908 3.695 -10.451 546 2HB ALA 73 3HB ALA 73 12.447 2.864 -9.872 547 3HB ALA 73 1HB ALA 73 13.166 2.418 -11.434 548 H ALA 74 HN ALA 74 10.002 3.790 -10.090 549 HA ALA 74 HA ALA 74 8.697 1.897 -11.779 550 1HB ALA 74 3HB ALA 74 7.651 3.581 -9.460 551 2HB ALA 74 2HB ALA 74 6.826 2.184 -10.175 552 3HB ALA 74 1HB ALA 74 8.376 1.962 -9.354 553 H GLY 75 HN GLY 75 8.170 5.371 -11.208 554 1HA GLY 75 1HA GLY 75 7.571 6.810 -13.094 555 2HA GLY 75 2HA GLY 75 6.571 5.513 -13.760 556 H ILE 76 HN ILE 76 6.878 7.867 -11.178 557 HA ILE 76 HA ILE 76 3.974 7.711 -10.485 558 HB ILE 76 HB ILE 76 6.483 8.356 -8.896 559 1HG1 ILE 76 2HG12 ILE 76 5.676 6.838 -7.293 560 2HG1 ILE 76 1HG11 ILE 76 4.037 6.827 -7.965 561 1HG2 ILE 76 2HG22 ILE 76 3.636 9.216 -8.208 562 2HG2 ILE 76 1HG21 ILE 76 4.988 9.183 -7.061 563 3HG2 ILE 76 3HG23 ILE 76 5.046 10.277 -8.438 564 1HD1 ILE 76 1HD11 ILE 76 6.383 5.654 -9.470 565 2HD1 ILE 76 3HD13 ILE 76 5.432 4.735 -8.322 566 3HD1 ILE 76 2HD12 ILE 76 4.641 5.412 -9.741 567 H THR 77 HN THR 77 2.817 9.629 -10.774 568 HA THR 77 HA THR 77 4.335 12.076 -11.583 569 HB THR 77 HB THR 77 2.617 12.439 -13.333 570 HG1 THR 77 HG1 THR 77 1.447 10.431 -13.918 571 1HG2 THR 77 3HG23 THR 77 4.813 11.340 -13.876 572 2HG2 THR 77 1HG21 THR 77 4.033 9.755 -13.695 573 3HG2 THR 77 2HG22 THR 77 3.498 10.866 -14.967 574 H ALA 78 HN ALA 78 0.872 11.728 -11.671 575 HA ALA 78 HA ALA 78 0.581 13.915 -9.711 576 1HB ALA 78 3HB ALA 78 -1.468 12.342 -11.326 577 2HB ALA 78 2HB ALA 78 -1.814 13.749 -10.299 578 3HB ALA 78 1HB ALA 78 -0.781 13.926 -11.731 579 H MET 79 HN MET 79 1.678 12.511 -8.093 580 HA MET 79 HA MET 79 0.628 10.248 -6.923 581 1HB MET 79 1HB MET 79 1.849 10.760 -4.950 582 2HB MET 79 2HB MET 79 2.800 11.180 -6.367 583 1HG MET 79 1HG MET 79 1.290 13.152 -4.582 584 2HG MET 79 2HG MET 79 3.001 12.788 -4.493 585 1HE MET 79 3HE MET 79 4.236 12.817 -7.245 586 2HE MET 79 2HE MET 79 4.570 14.541 -7.505 587 3HE MET 79 1HE MET 79 4.856 13.816 -5.906 588 HA PRO 80 HA PRO 80 -0.240 9.271 -4.497 589 1HB PRO 80 2HB PRO 80 -3.207 8.764 -4.864 590 2HB PRO 80 1HB PRO 80 -2.143 8.065 -3.626 591 1HG PRO 80 1HG PRO 80 -3.680 10.165 -2.967 592 2HG PRO 80 2HG PRO 80 -1.946 10.253 -2.545 593 1HD PRO 80 1HD PRO 80 -3.342 11.457 -4.967 594 2HD PRO 80 2HD PRO 80 -2.210 12.240 -3.834 595 H THR 81 HN THR 81 0.021 7.203 -5.540 596 HA THR 81 HA THR 81 -1.191 6.857 -8.229 597 HB THR 81 HB THR 81 1.765 7.143 -7.643 598 HG1 THR 81 HG1 THR 81 -0.094 8.798 -8.499 599 1HG2 THR 81 2HG22 THR 81 0.335 6.066 -10.114 600 2HG2 THR 81 3HG23 THR 81 2.019 6.617 -10.115 601 3HG2 THR 81 1HG21 THR 81 1.556 5.237 -9.111 602 H PHE 82 HN PHE 82 -2.169 5.036 -8.015 603 HA PHE 82 HA PHE 82 -1.172 2.871 -6.261 604 1HB PHE 82 1HB PHE 82 -3.806 3.370 -7.667 605 2HB PHE 82 2HB PHE 82 -3.451 1.967 -6.679 606 HD1 PHE 82 HD2 PHE 82 -3.151 2.185 -4.228 607 HD2 PHE 82 HD1 PHE 82 -4.227 5.587 -6.671 608 HE1 PHE 82 HE2 PHE 82 -3.705 3.503 -2.197 609 HE2 PHE 82 HE1 PHE 82 -4.759 6.875 -4.633 610 HZ PHE 82 HZ PHE 82 -4.320 5.850 -2.372 611 H HIS 83 HN HIS 83 0.496 1.935 -7.531 612 HA HIS 83 HA HIS 83 -0.130 1.056 -10.326 613 1HB HIS 83 2HB HIS 83 2.236 0.659 -8.531 614 2HB HIS 83 1HB HIS 83 2.049 -0.171 -10.080 615 HD2 HIS 83 HD2 HIS 83 1.041 3.434 -10.547 616 HE1 HIS 83 HE1 HIS 83 5.125 3.145 -11.578 617 HE2 HIS 83 HE2 HIS 83 3.114 4.656 -11.692 618 H VAL 84 HN VAL 84 -0.550 -1.141 -10.814 619 HA VAL 84 HA VAL 84 -0.944 -2.975 -8.469 620 HB VAL 84 HB VAL 84 -2.490 -3.077 -11.073 621 1HG1 VAL 84 3HG23 VAL 84 -2.786 -4.446 -8.359 622 2HG1 VAL 84 1HG21 VAL 84 -3.923 -4.591 -9.709 623 3HG1 VAL 84 2HG22 VAL 84 -2.274 -5.211 -9.875 624 1HG2 VAL 84 2HG12 VAL 84 -3.323 -1.917 -8.372 625 2HG2 VAL 84 1HG11 VAL 84 -3.157 -1.006 -9.887 626 3HG2 VAL 84 3HG13 VAL 84 -4.419 -2.235 -9.732 627 H TYR 85 HN TYR 85 0.822 -4.261 -8.479 628 HA TYR 85 HA TYR 85 2.107 -4.979 -11.058 629 1HB TYR 85 1HB TYR 85 3.100 -5.079 -8.208 630 2HB TYR 85 2HB TYR 85 3.918 -5.908 -9.522 631 HD1 TYR 85 HD1 TYR 85 2.917 -2.605 -8.214 632 HD2 TYR 85 HD2 TYR 85 5.316 -4.733 -11.081 633 HE1 TYR 85 HE1 TYR 85 4.157 -0.514 -8.747 634 HE2 TYR 85 HE2 TYR 85 6.468 -2.616 -11.688 635 HH TYR 85 HH TYR 85 5.247 0.511 -10.542 636 H LYS 86 HN LYS 86 -0.282 -6.137 -11.002 637 HA LYS 86 HA LYS 86 -0.723 -8.315 -9.311 638 1HB LYS 86 2HB LYS 86 -2.419 -7.361 -10.913 639 2HB LYS 86 1HB LYS 86 -1.576 -8.208 -12.227 640 1HG LYS 86 1HG LYS 86 -1.964 -10.368 -11.030 641 2HG LYS 86 2HG LYS 86 -2.840 -9.511 -9.759 642 1HD LYS 86 1HD LYS 86 -4.606 -8.903 -11.291 643 2HD LYS 86 2HD LYS 86 -3.647 -9.397 -12.692 644 1HE LYS 86 1HE LYS 86 -5.387 -11.059 -12.178 645 2HE LYS 86 2HE LYS 86 -3.766 -11.760 -12.023 646 1HZ LYS 86 1HZ LYS 86 -5.346 -10.752 -9.763 647 2HZ LYS 86 2HZ LYS 86 -5.341 -12.322 -10.232 648 3HZ LYS 86 3HZ LYS 86 -3.945 -11.621 -9.693 649 H ASP 87 HN ASP 87 0.076 -10.277 -9.133 650 HA ASP 87 HA ASP 87 1.174 -12.237 -9.456 651 1HB ASP 87 1HB ASP 87 1.826 -11.455 -12.338 652 2HB ASP 87 2HB ASP 87 1.894 -13.044 -11.596 653 H GLY 88 HN GLY 88 2.810 -9.740 -11.326 654 1HA GLY 88 1HA GLY 88 4.756 -8.926 -9.546 655 2HA GLY 88 2HA GLY 88 5.477 -10.355 -10.322 656 H VAL 89 HN VAL 89 3.271 -7.924 -11.854 657 HA VAL 89 HA VAL 89 5.450 -6.577 -13.221 658 HB VAL 89 HB VAL 89 5.273 -8.607 -14.589 659 1HG1 VAL 89 2HG12 VAL 89 2.942 -9.288 -14.070 660 2HG1 VAL 89 3HG13 VAL 89 2.332 -7.922 -15.027 661 3HG1 VAL 89 1HG11 VAL 89 3.250 -9.217 -15.809 662 1HG2 VAL 89 2HG22 VAL 89 5.720 -6.431 -15.695 663 2HG2 VAL 89 1HG21 VAL 89 4.906 -7.594 -16.754 664 3HG2 VAL 89 3HG23 VAL 89 3.983 -6.261 -16.041 665 H LYS 90 HN LYS 90 4.688 -4.542 -13.979 666 HA LYS 90 HA LYS 90 2.429 -3.479 -12.635 667 1HB LYS 90 2HB LYS 90 4.437 -2.212 -13.327 668 2HB LYS 90 1HB LYS 90 3.907 -2.290 -15.012 669 1HG LYS 90 1HG LYS 90 1.945 -0.953 -14.531 670 2HG LYS 90 2HG LYS 90 2.119 -1.201 -12.791 671 1HD LYS 90 2HD LYS 90 2.778 1.039 -13.283 672 2HD LYS 90 1HD LYS 90 4.202 0.127 -12.768 673 1HE LYS 90 2HE LYS 90 4.937 -0.095 -15.122 674 2HE LYS 90 1HE LYS 90 3.471 0.750 -15.661 675 1HZ LYS 90 3HZ LYS 90 4.208 2.668 -14.442 676 2HZ LYS 90 1HZ LYS 90 5.588 1.906 -13.969 677 3HZ LYS 90 2HZ LYS 90 5.325 2.215 -15.561 678 H ALA 91 HN ALA 91 0.628 -4.668 -13.073 679 HA ALA 91 HA ALA 91 -0.359 -5.146 -15.777 680 1HB ALA 91 3HB ALA 91 -0.628 -6.785 -13.934 681 2HB ALA 91 1HB ALA 91 -1.618 -5.609 -13.035 682 3HB ALA 91 2HB ALA 91 -2.197 -6.260 -14.583 683 H ASP 92 HN ASP 92 -0.895 -2.836 -13.145 684 HA ASP 92 HA ASP 92 -2.563 -1.227 -14.965 685 1HB ASP 92 1HB ASP 92 -3.864 -2.989 -13.323 686 2HB ASP 92 2HB ASP 92 -3.779 -1.593 -12.246 687 H ASP 93 HN ASP 93 -3.305 0.813 -13.775 688 HA ASP 93 HA ASP 93 -1.487 1.886 -11.760 689 1HB ASP 93 1HB ASP 93 -0.098 2.268 -13.682 690 2HB ASP 93 2HB ASP 93 -1.483 2.852 -14.639 691 H LEU 94 HN LEU 94 -2.161 4.115 -11.368 692 HA LEU 94 HA LEU 94 -4.678 5.189 -12.141 693 1HB LEU 94 2HB LEU 94 -5.718 3.318 -11.024 694 2HB LEU 94 1HB LEU 94 -4.682 3.497 -9.616 695 HG LEU 94 HG LEU 94 -5.811 5.681 -9.088 696 1HD1 LEU 94 3HD13 LEU 94 -7.320 4.963 -11.633 697 2HD1 LEU 94 2HD12 LEU 94 -7.960 6.105 -10.447 698 3HD1 LEU 94 1HD11 LEU 94 -6.449 6.468 -11.281 699 1HD2 LEU 94 2HD22 LEU 94 -7.648 3.300 -9.487 700 2HD2 LEU 94 1HD21 LEU 94 -6.599 3.617 -8.092 701 3HD2 LEU 94 3HD23 LEU 94 -7.960 4.695 -8.433 702 H VAL 95 HN VAL 95 -3.930 7.252 -11.984 703 HA VAL 95 HA VAL 95 -2.255 8.093 -9.723 704 HB VAL 95 HB VAL 95 -2.006 10.155 -10.966 705 1HG1 VAL 95 2HG12 VAL 95 -0.500 8.264 -11.433 706 2HG1 VAL 95 3HG13 VAL 95 -1.574 7.714 -12.738 707 3HG1 VAL 95 1HG11 VAL 95 -0.749 9.278 -12.865 708 1HG2 VAL 95 1HG21 VAL 95 -4.241 10.295 -12.054 709 2HG2 VAL 95 2HG22 VAL 95 -2.912 10.473 -13.208 710 3HG2 VAL 95 3HG23 VAL 95 -3.799 8.943 -13.120 711 H GLY 96 HN GLY 96 -2.762 10.196 -8.645 712 1HA GLY 96 1HA GLY 96 -4.136 11.645 -7.528 713 2HA GLY 96 2HA GLY 96 -5.485 11.201 -8.600 714 H ALA 97 HN ALA 97 -6.408 11.504 -6.245 715 HA ALA 97 HA ALA 97 -6.108 9.445 -4.291 716 1HB ALA 97 3HB ALA 97 -7.169 11.683 -3.902 717 2HB ALA 97 1HB ALA 97 -8.549 11.207 -4.888 718 3HB ALA 97 2HB ALA 97 -8.208 10.339 -3.379 719 H SER 98 HN SER 98 -8.737 10.006 -6.584 720 HA SER 98 HA SER 98 -10.360 8.639 -7.482 721 1HB SER 98 2HB SER 98 -7.838 7.040 -8.061 722 2HB SER 98 1HB SER 98 -9.280 7.236 -9.094 723 HG SER 98 HG SER 98 -7.155 8.665 -9.297 724 H GLN 99 HN GLN 99 -10.333 8.031 -4.771 725 HA GLN 99 HA GLN 99 -9.839 5.499 -3.858 726 1HB GLN 99 1HB GLN 99 -12.376 7.072 -3.216 727 2HB GLN 99 2HB GLN 99 -11.596 5.850 -2.207 728 1HG GLN 99 2HG GLN 99 -10.541 8.631 -2.876 729 2HG GLN 99 1HG GLN 99 -11.110 8.042 -1.322 730 1HE2 GLN 99 2HE22 GLN 99 -8.108 6.082 -0.699 731 2HE2 GLN 99 1HE21 GLN 99 -9.848 5.958 -0.513 732 H ASP 100 HN ASP 100 -12.706 6.450 -5.757 733 HA ASP 100 HA ASP 100 -14.172 4.003 -5.457 734 1HB ASP 100 2HB ASP 100 -15.477 4.830 -7.339 735 2HB ASP 100 1HB ASP 100 -15.205 6.129 -6.173 736 H LYS 101 HN LYS 101 -11.994 5.239 -8.044 737 HA LYS 101 HA LYS 101 -12.148 2.782 -9.538 738 1HB LYS 101 1HB LYS 101 -11.611 4.986 -10.526 739 2HB LYS 101 2HB LYS 101 -10.030 4.960 -9.722 740 1HG LYS 101 1HG LYS 101 -9.337 3.028 -10.999 741 2HG LYS 101 2HG LYS 101 -10.989 2.707 -11.544 742 1HD LYS 101 1HD LYS 101 -11.012 4.613 -12.992 743 2HD LYS 101 2HD LYS 101 -9.536 5.271 -12.288 744 1HE LYS 101 1HE LYS 101 -9.082 4.227 -14.482 745 2HE LYS 101 2HE LYS 101 -8.208 3.389 -13.191 746 1HZ LYS 101 3HZ LYS 101 -10.734 2.494 -14.385 747 2HZ LYS 101 1HZ LYS 101 -9.240 1.878 -14.703 748 3HZ LYS 101 2HZ LYS 101 -9.892 1.712 -13.202 749 H LEU 102 HN LEU 102 -10.043 3.961 -6.927 750 HA LEU 102 HA LEU 102 -8.010 2.006 -7.013 751 1HB LEU 102 2HB LEU 102 -8.336 4.072 -5.406 752 2HB LEU 102 1HB LEU 102 -9.271 2.957 -4.416 753 HG LEU 102 HG LEU 102 -6.336 2.927 -5.117 754 1HD1 LEU 102 3HD13 LEU 102 -7.117 4.437 -3.326 755 2HD1 LEU 102 1HD11 LEU 102 -7.947 3.088 -2.519 756 3HD1 LEU 102 2HD12 LEU 102 -6.187 3.105 -2.627 757 1HD2 LEU 102 3HD23 LEU 102 -7.879 0.751 -3.649 758 2HD2 LEU 102 2HD22 LEU 102 -6.981 0.577 -5.184 759 3HD2 LEU 102 1HD21 LEU 102 -6.110 0.916 -3.693 760 H LYS 103 HN LYS 103 -11.114 1.968 -5.148 761 HA LYS 103 HA LYS 103 -11.015 -0.707 -4.275 762 1HB LYS 103 2HB LYS 103 -13.355 1.125 -4.961 763 2HB LYS 103 1HB LYS 103 -13.527 -0.447 -4.175 764 1HG LYS 103 2HG LYS 103 -12.194 0.261 -2.277 765 2HG LYS 103 1HG LYS 103 -11.818 1.807 -3.057 766 1HD LYS 103 1HD LYS 103 -14.258 2.378 -3.058 767 2HD LYS 103 2HD LYS 103 -14.603 0.834 -2.260 768 1HE LYS 103 1HE LYS 103 -14.578 2.612 -0.597 769 2HE LYS 103 2HE LYS 103 -13.200 1.536 -0.314 770 1HZ LYS 103 3HZ LYS 103 -13.102 4.113 -1.726 771 2HZ LYS 103 2HZ LYS 103 -12.608 3.847 -0.175 772 3HZ LYS 103 1HZ LYS 103 -11.812 3.132 -1.427 773 H ALA 104 HN ALA 104 -12.552 0.641 -7.249 774 HA ALA 104 HA ALA 104 -13.530 -1.771 -8.292 775 1HB ALA 104 1HB ALA 104 -13.977 0.510 -9.223 776 2HB ALA 104 2HB ALA 104 -12.332 0.523 -9.902 777 3HB ALA 104 3HB ALA 104 -13.511 -0.675 -10.460 778 H LEU 105 HN LEU 105 -10.228 -0.349 -8.726 779 HA LEU 105 HA LEU 105 -9.313 -2.486 -10.415 780 1HB LEU 105 2HB LEU 105 -7.835 -0.447 -8.699 781 2HB LEU 105 1HB LEU 105 -7.021 -1.669 -9.671 782 HG LEU 105 HG LEU 105 -8.789 0.575 -10.724 783 1HD1 LEU 105 3HD13 LEU 105 -6.477 1.171 -10.017 784 2HD1 LEU 105 2HD12 LEU 105 -5.833 -0.080 -11.100 785 3HD1 LEU 105 1HD11 LEU 105 -6.699 1.313 -11.775 786 1HD2 LEU 105 3HD23 LEU 105 -7.552 -1.785 -12.177 787 2HD2 LEU 105 2HD22 LEU 105 -9.245 -1.239 -12.217 788 3HD2 LEU 105 1HD21 LEU 105 -7.994 -0.273 -12.995 789 H VAL 106 HN VAL 106 -9.040 -1.997 -6.811 790 HA VAL 106 HA VAL 106 -7.520 -4.388 -6.492 791 HB VAL 106 HB VAL 106 -9.568 -3.442 -4.446 792 1HG1 VAL 106 2HG22 VAL 106 -8.450 -5.713 -4.161 793 2HG1 VAL 106 1HG21 VAL 106 -6.886 -4.886 -4.165 794 3HG1 VAL 106 3HG23 VAL 106 -8.068 -4.562 -2.885 795 1HG2 VAL 106 2HG12 VAL 106 -6.816 -2.348 -5.102 796 2HG2 VAL 106 1HG11 VAL 106 -8.310 -1.488 -4.676 797 3HG2 VAL 106 3HG13 VAL 106 -7.417 -2.341 -3.430 798 H ALA 107 HN ALA 107 -11.059 -3.898 -6.465 799 HA ALA 107 HA ALA 107 -11.848 -6.594 -6.070 800 1HB ALA 107 1HB ALA 107 -13.410 -4.684 -6.019 801 2HB ALA 107 2HB ALA 107 -13.211 -4.451 -7.767 802 3HB ALA 107 3HB ALA 107 -13.959 -5.936 -7.150 803 H LYS 108 HN LYS 108 -11.333 -4.887 -9.195 804 HA LYS 108 HA LYS 108 -11.764 -7.016 -10.952 805 1HB LYS 108 1HB LYS 108 -11.440 -4.654 -11.557 806 2HB LYS 108 2HB LYS 108 -9.743 -4.723 -11.115 807 1HG LYS 108 2HG LYS 108 -9.374 -6.475 -12.892 808 2HG LYS 108 1HG LYS 108 -11.052 -6.233 -13.408 809 1HD LYS 108 2HD LYS 108 -8.825 -4.132 -13.333 810 2HD LYS 108 1HD LYS 108 -9.400 -4.984 -14.772 811 1HE LYS 108 1HE LYS 108 -11.668 -3.963 -14.442 812 2HE LYS 108 2HE LYS 108 -11.027 -3.033 -13.073 813 1HZ LYS 108 2HZ LYS 108 -9.462 -2.028 -14.560 814 2HZ LYS 108 1HZ LYS 108 -10.071 -2.872 -15.837 815 3HZ LYS 108 3HZ LYS 108 -11.009 -1.762 -15.062 816 H HIS 109 HN HIS 109 -8.586 -5.875 -9.777 817 HA HIS 109 HA HIS 109 -7.173 -8.113 -10.891 818 1HB HIS 109 2HB HIS 109 -6.405 -5.915 -8.936 819 2HB HIS 109 1HB HIS 109 -5.285 -7.144 -9.524 820 HD2 HIS 109 HD2 HIS 109 -7.232 -4.052 -10.998 821 HE1 HIS 109 HE1 HIS 109 -4.553 -5.503 -13.911 822 HE2 HIS 109 HE2 HIS 109 -6.150 -3.606 -13.339 823 H ALA 110 HN ALA 110 -8.886 -7.806 -7.826 824 HA ALA 110 HA ALA 110 -7.553 -10.229 -6.762 825 1HB ALA 110 2HB ALA 110 -8.147 -8.299 -5.275 826 2HB ALA 110 3HB ALA 110 -9.862 -8.594 -5.651 827 3HB ALA 110 1HB ALA 110 -8.908 -9.826 -4.800 828 H ALA 111 HN ALA 111 -9.747 -9.878 -9.227 829 HA ALA 111 HA ALA 111 -11.965 -11.394 -8.488 830 1HB ALA 111 2HB ALA 111 -10.495 -11.282 -11.158 831 2HB ALA 111 3HB ALA 111 -12.128 -11.944 -10.921 832 3HB ALA 111 1HB ALA 111 -11.824 -10.224 -10.622 833 H ALA 112 HN ALA 112 -8.752 -12.558 -9.523 834 HA ALA 112 HA ALA 112 -9.138 -15.097 -8.219 835 1HB ALA 112 2HB ALA 112 -8.861 -14.989 -11.264 836 2HB ALA 112 3HB ALA 112 -8.710 -16.447 -10.260 837 3HB ALA 112 1HB ALA 112 -10.271 -15.607 -10.370 No H/Q in entry = 837 Start of MODEL 18 1 1H GLY 1 2HN GLY 1 -1.973 -10.551 3.241 2 2H GLY 1 1HN GLY 1 -1.155 -10.028 1.942 3 3H GLY 1 3HN GLY 1 -1.855 -11.501 1.894 4 1HA GLY 1 1HA GLY 1 -0.432 -12.503 3.414 5 2HA GLY 1 2HA GLY 1 0.641 -11.513 2.406 6 H GLY 2 HN GLY 2 2.082 -11.600 4.438 7 1HA GLY 2 1HA GLY 2 1.259 -10.369 6.892 8 2HA GLY 2 2HA GLY 2 2.923 -10.555 6.302 9 H SER 3 HN SER 3 2.548 -9.116 3.851 10 HA SER 3 HA SER 3 3.096 -6.481 4.483 11 1HB SER 3 1HB SER 3 2.049 -7.654 1.900 12 2HB SER 3 2HB SER 3 3.191 -6.299 2.075 13 HG SER 3 HG SER 3 4.301 -8.343 1.666 14 H VAL 4 HN VAL 4 1.055 -6.250 5.943 15 HA VAL 4 HA VAL 4 -0.772 -4.412 4.521 16 HB VAL 4 HB VAL 4 -2.478 -5.302 6.199 17 1HG1 VAL 4 3HG13 VAL 4 -2.604 -5.893 3.764 18 2HG1 VAL 4 1HG11 VAL 4 -1.626 -7.337 4.095 19 3HG1 VAL 4 2HG12 VAL 4 -3.226 -7.160 4.820 20 1HG2 VAL 4 2HG22 VAL 4 -0.851 -6.499 7.644 21 2HG2 VAL 4 3HG23 VAL 4 -2.282 -7.436 7.169 22 3HG2 VAL 4 1HG21 VAL 4 -0.729 -7.741 6.375 23 H ILE 5 HN ILE 5 1.727 -3.999 5.830 24 HA ILE 5 HA ILE 5 0.998 -2.767 8.455 25 HB ILE 5 HB ILE 5 3.408 -3.182 9.045 26 1HG1 ILE 5 1HG11 ILE 5 3.363 -5.020 6.601 27 2HG1 ILE 5 2HG12 ILE 5 4.243 -3.496 6.690 28 1HG2 ILE 5 1HG21 ILE 5 1.479 -4.613 9.786 29 2HG2 ILE 5 3HG23 ILE 5 1.779 -5.688 8.406 30 3HG2 ILE 5 2HG22 ILE 5 2.999 -5.503 9.682 31 1HD1 ILE 5 3HD13 ILE 5 5.517 -4.444 8.671 32 2HD1 ILE 5 2HD12 ILE 5 4.751 -6.011 8.321 33 3HD1 ILE 5 1HD11 ILE 5 5.801 -5.254 7.116 34 H VAL 6 HN VAL 6 1.862 -0.849 9.018 35 HA VAL 6 HA VAL 6 2.381 0.976 6.788 36 HB VAL 6 HB VAL 6 0.696 1.524 8.388 37 1HG1 VAL 6 2HG12 VAL 6 1.482 0.452 10.455 38 2HG1 VAL 6 1HG11 VAL 6 2.792 1.641 10.597 39 3HG1 VAL 6 3HG13 VAL 6 1.105 2.156 10.698 40 1HG2 VAL 6 2HG22 VAL 6 1.988 3.346 7.297 41 2HG2 VAL 6 3HG23 VAL 6 1.255 3.801 8.843 42 3HG2 VAL 6 1HG21 VAL 6 2.991 3.479 8.755 43 H ILE 7 HN ILE 7 4.426 -0.186 6.308 44 HA ILE 7 HA ILE 7 6.536 1.563 7.342 45 HB ILE 7 HB ILE 7 6.769 -0.201 8.926 46 1HG1 ILE 7 1HG11 ILE 7 8.896 -0.490 6.762 47 2HG1 ILE 7 2HG12 ILE 7 8.782 0.872 7.866 48 1HG2 ILE 7 1HG21 ILE 7 5.590 -2.005 7.749 49 2HG2 ILE 7 3HG23 ILE 7 6.930 -2.175 6.599 50 3HG2 ILE 7 2HG22 ILE 7 7.161 -2.553 8.315 51 1HD1 ILE 7 1HD11 ILE 7 9.045 -0.688 9.800 52 2HD1 ILE 7 2HD12 ILE 7 9.301 -2.026 8.656 53 3HD1 ILE 7 3HD13 ILE 7 10.436 -0.669 8.696 54 H ASP 8 HN ASP 8 7.581 2.336 5.743 55 HA ASP 8 HA ASP 8 7.280 1.286 3.012 56 1HB ASP 8 1HB ASP 8 7.916 3.562 2.432 57 2HB ASP 8 2HB ASP 8 6.582 3.600 3.614 58 H SER 9 HN SER 9 9.733 1.779 5.475 59 HA SER 9 HA SER 9 12.033 2.303 4.289 60 1HB SER 9 1HB SER 9 11.700 -0.062 6.177 61 2HB SER 9 2HB SER 9 13.065 1.074 6.095 62 HG SER 9 HG SER 9 11.511 2.729 6.713 63 H LYS 10 HN LYS 10 13.370 1.441 2.665 64 HA LYS 10 HA LYS 10 12.496 -0.452 0.916 65 1HB LYS 10 1HB LYS 10 14.281 1.087 0.470 66 2HB LYS 10 2HB LYS 10 15.399 0.205 1.544 67 1HG LYS 10 2HG LYS 10 15.234 -1.787 0.063 68 2HG LYS 10 1HG LYS 10 14.036 -0.955 -0.942 69 1HD LYS 10 1HD LYS 10 15.727 0.758 -1.548 70 2HD LYS 10 2HD LYS 10 16.921 -0.054 -0.510 71 1HE LYS 10 2HE LYS 10 16.716 -2.118 -1.889 72 2HE LYS 10 1HE LYS 10 15.529 -1.308 -2.927 73 1HZ LYS 10 1HZ LYS 10 18.319 -0.477 -2.549 74 2HZ LYS 10 3HZ LYS 10 17.709 -1.257 -3.865 75 3HZ LYS 10 2HZ LYS 10 17.217 0.276 -3.516 76 H ALA 11 HN ALA 11 14.510 -1.154 3.797 77 HA ALA 11 HA ALA 11 14.972 -3.920 3.259 78 1HB ALA 11 2HB ALA 11 16.078 -2.692 5.095 79 2HB ALA 11 3HB ALA 11 14.523 -2.531 5.945 80 3HB ALA 11 1HB ALA 11 15.248 -4.136 5.708 81 H ALA 12 HN ALA 12 12.177 -2.214 4.641 82 HA ALA 12 HA ALA 12 10.706 -4.632 5.342 83 1HB ALA 12 1HB ALA 12 10.482 -2.446 6.562 84 2HB ALA 12 2HB ALA 12 9.686 -1.783 5.109 85 3HB ALA 12 3HB ALA 12 8.957 -3.144 5.979 86 H TRP 13 HN TRP 13 10.906 -2.312 2.597 87 HA TRP 13 HA TRP 13 8.628 -3.258 1.134 88 1HB TRP 13 1HB TRP 13 9.796 -1.253 0.361 89 2HB TRP 13 2HB TRP 13 11.293 -2.134 0.236 90 HD1 TRP 13 HD1 TRP 13 11.739 -3.817 -1.699 91 HE1 TRP 13 HE1 TRP 13 10.918 -3.869 -4.127 92 HE3 TRP 13 HE3 TRP 13 7.740 -0.629 -1.298 93 HZ2 TRP 13 HZ2 TRP 13 8.900 -2.668 -5.691 94 HZ3 TRP 13 HZ3 TRP 13 6.480 -0.005 -3.351 95 HH2 TRP 13 HH2 TRP 13 7.001 -1.050 -5.522 96 H ASP 14 HN ASP 14 12.082 -4.244 1.084 97 HA ASP 14 HA ASP 14 11.845 -6.439 -0.664 98 1HB ASP 14 2HB ASP 14 13.763 -6.096 1.692 99 2HB ASP 14 1HB ASP 14 13.943 -7.255 0.373 100 H ALA 15 HN ALA 15 11.703 -6.416 2.904 101 HA ALA 15 HA ALA 15 11.153 -9.164 3.251 102 1HB ALA 15 1HB ALA 15 11.706 -7.588 5.095 103 2HB ALA 15 2HB ALA 15 10.094 -6.854 4.939 104 3HB ALA 15 3HB ALA 15 10.253 -8.545 5.443 105 H GLN 16 HN GLN 16 8.822 -6.491 2.963 106 HA GLN 16 HA GLN 16 6.424 -8.001 3.109 107 1HB GLN 16 2HB GLN 16 7.104 -5.312 1.875 108 2HB GLN 16 1HB GLN 16 5.474 -5.999 1.865 109 1HG GLN 16 1HG GLN 16 5.384 -6.199 4.229 110 2HG GLN 16 2HG GLN 16 7.054 -5.703 4.446 111 1HE2 GLN 16 2HE22 GLN 16 6.464 -2.206 4.105 112 2HE2 GLN 16 1HE21 GLN 16 7.644 -3.510 3.870 113 H LEU 17 HN LEU 17 8.457 -7.152 0.322 114 HA LEU 17 HA LEU 17 6.771 -8.242 -1.664 115 1HB LEU 17 1HB LEU 17 8.737 -6.712 -1.974 116 2HB LEU 17 2HB LEU 17 9.811 -8.081 -1.671 117 HG LEU 17 HG LEU 17 8.997 -9.188 -3.723 118 1HD1 LEU 17 2HD22 LEU 17 7.238 -6.703 -4.026 119 2HD1 LEU 17 1HD21 LEU 17 7.572 -7.864 -5.325 120 3HD1 LEU 17 3HD23 LEU 17 6.688 -8.390 -3.895 121 1HD2 LEU 17 3HD13 LEU 17 10.910 -7.630 -3.801 122 2HD2 LEU 17 1HD11 LEU 17 9.991 -7.614 -5.316 123 3HD2 LEU 17 2HD12 LEU 17 9.804 -6.285 -4.152 124 H ALA 18 HN ALA 18 8.418 -9.941 0.837 125 HA ALA 18 HA ALA 18 8.218 -12.533 -0.641 126 1HB ALA 18 2HB ALA 18 10.444 -12.012 0.274 127 2HB ALA 18 3HB ALA 18 9.754 -11.829 1.898 128 3HB ALA 18 1HB ALA 18 9.698 -13.403 1.085 129 H LYS 19 HN LYS 19 7.649 -11.135 2.676 130 HA LYS 19 HA LYS 19 5.933 -13.334 3.421 131 1HB LYS 19 2HB LYS 19 5.395 -12.077 5.404 132 2HB LYS 19 1HB LYS 19 7.134 -12.009 5.066 133 1HG LYS 19 1HG LYS 19 6.969 -9.753 4.285 134 2HG LYS 19 2HG LYS 19 5.203 -9.778 4.300 135 1HD LYS 19 1HD LYS 19 6.049 -8.483 6.142 136 2HD LYS 19 2HD LYS 19 5.195 -9.892 6.764 137 1HE LYS 19 1HE LYS 19 8.224 -9.916 6.413 138 2HE LYS 19 2HE LYS 19 7.468 -9.172 7.832 139 1HZ LYS 19 1HZ LYS 19 6.419 -11.223 8.341 140 2HZ LYS 19 2HZ LYS 19 7.091 -11.965 7.037 141 3HZ LYS 19 3HZ LYS 19 8.051 -11.419 8.255 142 H GLY 20 HN GLY 20 5.290 -10.687 1.337 143 1HA GLY 20 1HA GLY 20 2.502 -10.393 1.688 144 2HA GLY 20 2HA GLY 20 3.440 -10.156 0.206 145 H LYS 21 HN LYS 21 4.467 -12.992 0.252 146 HA LYS 21 HA LYS 21 3.991 -14.925 -0.807 147 1HB LYS 21 2HB LYS 21 1.311 -14.805 0.658 148 2HB LYS 21 1HB LYS 21 2.068 -16.211 -0.097 149 1HG LYS 21 2HG LYS 21 4.079 -15.810 1.477 150 2HG LYS 21 1HG LYS 21 3.066 -14.620 2.298 151 1HD LYS 21 2HD LYS 21 2.858 -16.600 3.565 152 2HD LYS 21 1HD LYS 21 1.339 -16.465 2.661 153 1HE LYS 21 1HE LYS 21 2.184 -18.141 1.014 154 2HE LYS 21 2HE LYS 21 3.740 -18.196 1.865 155 1HZ LYS 21 2HZ LYS 21 2.590 -19.044 3.773 156 2HZ LYS 21 3HZ LYS 21 1.144 -18.982 2.983 157 3HZ LYS 21 1HZ LYS 21 2.325 -20.004 2.461 158 H GLU 22 HN GLU 22 3.877 -12.919 -2.385 159 HA GLU 22 HA GLU 22 1.411 -12.625 -3.906 160 1HB GLU 22 1HB GLU 22 3.077 -11.360 -5.454 161 2HB GLU 22 2HB GLU 22 2.613 -10.654 -3.921 162 1HG GLU 22 1HG GLU 22 5.144 -12.319 -4.070 163 2HG GLU 22 2HG GLU 22 5.133 -10.672 -4.672 164 H GLU 23 HN GLU 23 1.501 -15.106 -3.904 165 HA GLU 23 HA GLU 23 2.973 -16.603 -5.789 166 1HB GLU 23 1HB GLU 23 -0.002 -16.834 -5.108 167 2HB GLU 23 2HB GLU 23 0.965 -18.073 -5.908 168 1HG GLU 23 2HG GLU 23 2.383 -18.319 -3.918 169 2HG GLU 23 1HG GLU 23 1.512 -17.024 -3.085 170 H HIS 24 HN HIS 24 -0.078 -14.906 -6.212 171 HA HIS 24 HA HIS 24 0.521 -13.867 -8.859 172 1HB HIS 24 2HB HIS 24 -1.448 -14.982 -9.923 173 2HB HIS 24 1HB HIS 24 -0.224 -16.155 -9.442 174 HD2 HIS 24 HD2 HIS 24 -3.771 -14.912 -8.207 175 HE1 HIS 24 HE1 HIS 24 -2.930 -18.648 -6.415 176 HE2 HIS 24 HE2 HIS 24 -4.720 -16.825 -6.713 177 H LYS 25 HN LYS 25 -0.108 -13.000 -6.118 178 HA LYS 25 HA LYS 25 -2.905 -12.085 -6.142 179 1HB LYS 25 2HB LYS 25 -0.675 -11.877 -4.092 180 2HB LYS 25 1HB LYS 25 -2.336 -11.397 -3.783 181 1HG LYS 25 2HG LYS 25 -1.335 -14.225 -4.329 182 2HG LYS 25 1HG LYS 25 -1.877 -13.548 -2.792 183 1HD LYS 25 2HD LYS 25 -4.153 -13.110 -3.900 184 2HD LYS 25 1HD LYS 25 -3.599 -14.076 -5.269 185 1HE LYS 25 1HE LYS 25 -3.842 -15.032 -2.383 186 2HE LYS 25 2HE LYS 25 -4.919 -15.406 -3.743 187 1HZ LYS 25 3HZ LYS 25 -3.059 -16.461 -4.824 188 2HZ LYS 25 2HZ LYS 25 -2.090 -16.177 -3.522 189 3HZ LYS 25 1HZ LYS 25 -3.391 -17.171 -3.376 190 HA PRO 26 HA PRO 26 -1.801 -7.955 -7.236 191 1HB PRO 26 1HB PRO 26 -3.683 -6.425 -5.988 192 2HB PRO 26 2HB PRO 26 -4.032 -7.530 -7.342 193 1HG PRO 26 2HG PRO 26 -4.410 -8.083 -4.391 194 2HG PRO 26 1HG PRO 26 -5.576 -8.333 -5.688 195 1HD PRO 26 2HD PRO 26 -3.996 -10.341 -4.745 196 2HD PRO 26 1HD PRO 26 -4.381 -10.246 -6.479 197 H ILE 27 HN ILE 27 0.015 -6.990 -6.631 198 HA ILE 27 HA ILE 27 0.458 -6.277 -3.802 199 HB ILE 27 HB ILE 27 2.204 -5.794 -6.232 200 1HG1 ILE 27 1HG11 ILE 27 2.417 -7.973 -4.109 201 2HG1 ILE 27 2HG12 ILE 27 1.952 -8.222 -5.795 202 1HG2 ILE 27 2HG22 ILE 27 2.506 -4.218 -4.290 203 2HG2 ILE 27 1HG21 ILE 27 2.878 -5.626 -3.281 204 3HG2 ILE 27 3HG23 ILE 27 3.926 -5.185 -4.646 205 1HD1 ILE 27 1HD11 ILE 27 4.170 -7.309 -6.513 206 2HD1 ILE 27 3HD13 ILE 27 4.660 -7.267 -4.799 207 3HD1 ILE 27 2HD12 ILE 27 4.255 -8.802 -5.563 208 H VAL 28 HN VAL 28 -0.956 -4.730 -3.321 209 HA VAL 28 HA VAL 28 -1.594 -2.581 -5.273 210 HB VAL 28 HB VAL 28 -2.793 -3.088 -2.522 211 1HG1 VAL 28 2HG12 VAL 28 -2.939 -0.763 -3.521 212 2HG1 VAL 28 3HG13 VAL 28 -3.770 -1.456 -4.919 213 3HG1 VAL 28 1HG11 VAL 28 -4.521 -1.547 -3.313 214 1HG2 VAL 28 1HG21 VAL 28 -3.282 -5.008 -4.048 215 2HG2 VAL 28 3HG23 VAL 28 -4.711 -4.053 -3.662 216 3HG2 VAL 28 2HG22 VAL 28 -3.928 -3.868 -5.245 217 H VAL 29 HN VAL 29 -0.057 -0.991 -5.169 218 HA VAL 29 HA VAL 29 1.240 -0.510 -2.506 219 HB VAL 29 HB VAL 29 2.848 -1.341 -4.036 220 1HG1 VAL 29 2HG12 VAL 29 2.059 0.903 -5.896 221 2HG1 VAL 29 3HG13 VAL 29 3.481 -0.153 -6.078 222 3HG1 VAL 29 1HG11 VAL 29 1.855 -0.846 -6.188 223 1HG2 VAL 29 3HG23 VAL 29 3.454 0.445 -2.443 224 2HG2 VAL 29 1HG21 VAL 29 4.434 0.500 -3.920 225 3HG2 VAL 29 2HG22 VAL 29 3.138 1.679 -3.679 226 H ASP 30 HN ASP 30 0.967 1.277 -1.560 227 HA ASP 30 HA ASP 30 -0.592 3.506 -2.753 228 1HB ASP 30 1HB ASP 30 -1.551 2.572 -0.767 229 2HB ASP 30 2HB ASP 30 0.003 2.535 0.069 230 H PHE 31 HN PHE 31 0.883 4.829 -3.755 231 HA PHE 31 HA PHE 31 3.365 5.608 -2.292 232 1HB PHE 31 1HB PHE 31 2.459 6.177 -5.130 233 2HB PHE 31 2HB PHE 31 3.949 6.692 -4.390 234 HD1 PHE 31 HD2 PHE 31 5.624 4.927 -3.572 235 HD2 PHE 31 HD1 PHE 31 2.338 4.040 -6.221 236 HE1 PHE 31 HE2 PHE 31 6.845 2.941 -4.431 237 HE2 PHE 31 HE1 PHE 31 3.639 2.164 -7.187 238 HZ PHE 31 HZ PHE 31 5.844 1.551 -6.232 239 H THR 32 HN THR 32 2.638 6.981 -0.751 240 HA THR 32 HA THR 32 1.402 9.535 -1.535 241 HB THR 32 HB THR 32 0.306 7.700 0.658 242 HG1 THR 32 HG1 THR 32 -0.701 7.131 -1.134 243 1HG2 THR 32 3HG23 THR 32 -0.385 10.588 -0.037 244 2HG2 THR 32 1HG21 THR 32 -1.492 9.507 0.824 245 3HG2 THR 32 2HG22 THR 32 0.044 9.923 1.569 246 H ALA 33 HN ALA 33 1.642 10.926 0.873 247 HA ALA 33 HA ALA 33 3.878 10.055 2.420 248 1HB ALA 33 1HB ALA 33 4.373 12.216 0.311 249 2HB ALA 33 3HB ALA 33 5.496 11.821 1.627 250 3HB ALA 33 2HB ALA 33 5.178 10.637 0.383 251 H THR 34 HN THR 34 4.824 12.207 3.500 252 HA THR 34 HA THR 34 2.871 13.507 5.095 253 HB THR 34 HB THR 34 4.932 15.040 5.441 254 HG1 THR 34 HG1 THR 34 6.845 14.176 4.433 255 1HG2 THR 34 1HG21 THR 34 4.575 13.024 6.860 256 2HG2 THR 34 2HG22 THR 34 5.462 12.041 5.666 257 3HG2 THR 34 3HG23 THR 34 6.297 13.334 6.546 258 H TRP 35 HN TRP 35 4.839 14.457 2.420 259 HA TRP 35 HA TRP 35 4.025 17.053 1.955 260 1HB TRP 35 2HB TRP 35 5.680 14.991 0.670 261 2HB TRP 35 1HB TRP 35 4.981 16.068 -0.525 262 HD1 TRP 35 HD1 TRP 35 7.851 15.946 1.727 263 HE1 TRP 35 HE1 TRP 35 8.898 18.332 1.979 264 HE3 TRP 35 HE3 TRP 35 4.023 18.714 -0.181 265 HZ2 TRP 35 HZ2 TRP 35 8.082 21.062 1.507 266 HZ3 TRP 35 HZ3 TRP 35 4.074 21.169 -0.118 267 HH2 TRP 35 HH2 TRP 35 6.132 22.372 0.668 268 H CYS 36 HN CYS 36 1.825 16.825 2.284 269 HA CYS 36 HA CYS 36 0.341 17.741 0.137 270 1HB CYS 36 2HB CYS 36 -1.261 16.013 -0.348 271 2HB CYS 36 1HB CYS 36 0.311 15.330 -0.703 272 H GLY 37 HN GLY 37 0.532 16.309 3.361 273 1HA GLY 37 1HA GLY 37 -0.542 16.921 5.285 274 2HA GLY 37 2HA GLY 37 -1.295 18.258 4.406 275 HA PRO 38 HA PRO 38 -5.126 16.058 5.258 276 1HB PRO 38 1HB PRO 38 -5.807 17.332 2.581 277 2HB PRO 38 2HB PRO 38 -6.887 17.107 3.990 278 1HG PRO 38 1HG PRO 38 -5.651 19.483 3.670 279 2HG PRO 38 2HG PRO 38 -5.626 18.708 5.282 280 1HD PRO 38 1HD PRO 38 -3.440 18.806 3.217 281 2HD PRO 38 2HD PRO 38 -3.333 18.938 4.997 282 H CYS 39 HN CYS 39 -3.788 15.714 1.960 283 HA CYS 39 HA CYS 39 -5.376 13.490 1.205 284 1HB CYS 39 1HB CYS 39 -4.170 13.390 -0.647 285 2HB CYS 39 2HB CYS 39 -3.502 14.930 -0.122 286 H LYS 40 HN LYS 40 -2.629 13.637 3.428 287 HA LYS 40 HA LYS 40 -1.849 10.923 3.344 288 1HB LYS 40 2HB LYS 40 -0.754 12.963 4.509 289 2HB LYS 40 1HB LYS 40 -1.858 12.633 5.858 290 1HG LYS 40 1HG LYS 40 -0.891 10.270 5.921 291 2HG LYS 40 2HG LYS 40 0.210 10.764 4.616 292 1HD LYS 40 2HD LYS 40 1.052 12.614 6.140 293 2HD LYS 40 1HD LYS 40 0.029 11.958 7.421 294 1HE LYS 40 2HE LYS 40 2.292 11.140 7.740 295 2HE LYS 40 1HE LYS 40 1.260 9.779 7.274 296 1HZ LYS 40 1HZ LYS 40 3.044 11.276 5.475 297 2HZ LYS 40 2HZ LYS 40 3.352 9.790 6.111 298 3HZ LYS 40 3HZ LYS 40 2.112 9.987 5.047 299 H MET 41 HN MET 41 -4.784 12.389 4.623 300 HA MET 41 HA MET 41 -5.491 10.364 6.541 301 1HB MET 41 1HB MET 41 -7.220 12.205 4.819 302 2HB MET 41 2HB MET 41 -7.795 11.229 6.184 303 1HG MET 41 1HG MET 41 -6.082 12.337 7.628 304 2HG MET 41 2HG MET 41 -5.761 13.490 6.345 305 1HE MET 41 2HE MET 41 -7.643 15.033 5.287 306 2HE MET 41 3HE MET 41 -8.939 13.810 5.247 307 3HE MET 41 1HE MET 41 -9.208 15.365 6.065 308 H ILE 42 HN ILE 42 -5.232 10.175 3.109 309 HA ILE 42 HA ILE 42 -7.173 8.067 2.704 310 HB ILE 42 HB ILE 42 -4.624 8.842 1.229 311 1HG1 ILE 42 1HG11 ILE 42 -7.535 9.275 0.403 312 2HG1 ILE 42 2HG12 ILE 42 -6.665 10.467 1.367 313 1HG2 ILE 42 2HG22 ILE 42 -6.791 6.817 0.567 314 2HG2 ILE 42 3HG23 ILE 42 -5.706 7.488 -0.662 315 3HG2 ILE 42 1HG21 ILE 42 -5.046 6.541 0.678 316 1HD1 ILE 42 1HD11 ILE 42 -4.866 10.534 -0.387 317 2HD1 ILE 42 2HD12 ILE 42 -5.936 9.575 -1.430 318 3HD1 ILE 42 3HD13 ILE 42 -6.443 11.180 -0.858 319 H ALA 43 HN ALA 43 -3.878 8.188 4.050 320 HA ALA 43 HA ALA 43 -3.101 5.539 3.621 321 1HB ALA 43 3HB ALA 43 -1.583 7.290 4.414 322 2HB ALA 43 2HB ALA 43 -2.410 7.362 5.979 323 3HB ALA 43 1HB ALA 43 -1.544 5.890 5.502 324 HA PRO 44 HA PRO 44 -4.995 4.148 7.840 325 1HB PRO 44 2HB PRO 44 -7.184 5.516 8.838 326 2HB PRO 44 1HB PRO 44 -5.495 5.807 9.347 327 1HG PRO 44 1HG PRO 44 -7.060 7.256 7.203 328 2HG PRO 44 2HG PRO 44 -6.161 7.997 8.569 329 1HD PRO 44 1HD PRO 44 -4.893 7.866 6.233 330 2HD PRO 44 2HD PRO 44 -4.040 7.271 7.665 331 H LEU 45 HN LEU 45 -7.040 5.715 5.382 332 HA LEU 45 HA LEU 45 -9.150 3.713 5.499 333 1HB LEU 45 2HB LEU 45 -8.334 5.861 3.524 334 2HB LEU 45 1HB LEU 45 -9.460 4.591 3.036 335 HG LEU 45 HG LEU 45 -10.980 5.115 4.809 336 1HD1 LEU 45 3HD23 LEU 45 -9.035 7.251 5.715 337 2HD1 LEU 45 1HD21 LEU 45 -10.715 7.101 6.265 338 3HD1 LEU 45 2HD22 LEU 45 -9.563 5.821 6.635 339 1HD2 LEU 45 3HD13 LEU 45 -11.159 6.374 2.688 340 2HD2 LEU 45 2HD12 LEU 45 -11.691 7.366 4.056 341 3HD2 LEU 45 1HD11 LEU 45 -10.088 7.635 3.339 342 H PHE 46 HN PHE 46 -6.234 4.138 3.468 343 HA PHE 46 HA PHE 46 -6.487 1.690 2.018 344 1HB PHE 46 1HB PHE 46 -4.943 3.568 1.466 345 2HB PHE 46 2HB PHE 46 -3.949 3.148 2.851 346 HD1 PHE 46 HD1 PHE 46 -5.323 1.753 -0.376 347 HD2 PHE 46 HD2 PHE 46 -2.226 1.545 2.608 348 HE1 PHE 46 HE1 PHE 46 -4.010 0.255 -1.827 349 HE2 PHE 46 HE2 PHE 46 -0.880 0.074 1.122 350 HZ PHE 46 HZ PHE 46 -1.753 -0.569 -1.090 351 H GLU 47 HN GLU 47 -5.091 2.426 5.230 352 HA GLU 47 HA GLU 47 -4.075 -0.181 5.788 353 1HB GLU 47 2HB GLU 47 -3.620 2.016 7.044 354 2HB GLU 47 1HB GLU 47 -5.168 1.772 7.855 355 1HG GLU 47 2HG GLU 47 -4.419 -0.314 8.831 356 2HG GLU 47 1HG GLU 47 -2.946 -0.314 7.851 357 H THR 48 HN THR 48 -7.264 1.341 6.364 358 HA THR 48 HA THR 48 -8.482 -0.802 7.771 359 HB THR 48 HB THR 48 -9.798 1.178 5.849 360 HG1 THR 48 HG1 THR 48 -8.549 2.147 7.569 361 1HG2 THR 48 3HG23 THR 48 -10.927 -0.374 8.206 362 2HG2 THR 48 1HG21 THR 48 -11.773 0.874 7.270 363 3HG2 THR 48 2HG22 THR 48 -11.316 -0.652 6.489 364 H LEU 49 HN LEU 49 -8.288 -0.081 4.235 365 HA LEU 49 HA LEU 49 -9.594 -2.485 3.398 366 1HB LEU 49 2HB LEU 49 -7.614 -0.624 2.064 367 2HB LEU 49 1HB LEU 49 -8.269 -2.044 1.237 368 HG LEU 49 HG LEU 49 -10.217 -0.207 2.559 369 1HD1 LEU 49 2HD22 LEU 49 -8.891 0.344 -0.137 370 2HD1 LEU 49 1HD21 LEU 49 -10.334 1.175 0.481 371 3HD1 LEU 49 3HD23 LEU 49 -8.783 1.364 1.315 372 1HD2 LEU 49 3HD13 LEU 49 -10.927 -2.354 1.486 373 2HD2 LEU 49 2HD12 LEU 49 -11.671 -0.913 0.773 374 3HD2 LEU 49 1HD11 LEU 49 -10.331 -1.721 -0.067 375 H SER 50 HN SER 50 -6.137 -1.781 4.068 376 HA SER 50 HA SER 50 -5.021 -4.269 3.333 377 1HB SER 50 1HB SER 50 -4.162 -2.717 5.810 378 2HB SER 50 2HB SER 50 -3.222 -3.791 4.797 379 HG SER 50 HG SER 50 -4.343 -1.464 3.683 380 H ASN 51 HN ASN 51 -6.461 -3.313 6.470 381 HA ASN 51 HA ASN 51 -6.205 -5.891 7.684 382 1HB ASN 51 2HB ASN 51 -6.645 -3.603 8.769 383 2HB ASN 51 1HB ASN 51 -8.341 -3.816 8.329 384 1HD2 ASN 51 2HD22 ASN 51 -8.191 -6.886 10.677 385 2HD2 ASN 51 1HD21 ASN 51 -8.264 -6.876 8.928 386 H ASP 52 HN ASP 52 -8.864 -4.350 5.822 387 HA ASP 52 HA ASP 52 -10.863 -6.287 6.226 388 1HB ASP 52 1HB ASP 52 -11.256 -4.078 5.188 389 2HB ASP 52 2HB ASP 52 -10.312 -4.569 3.766 390 H TYR 53 HN TYR 53 -8.426 -6.085 3.584 391 HA TYR 53 HA TYR 53 -9.341 -8.607 2.408 392 1HB TYR 53 1HB TYR 53 -7.118 -6.637 1.891 393 2HB TYR 53 2HB TYR 53 -7.163 -8.187 1.062 394 HD1 TYR 53 HD2 TYR 53 -8.966 -8.788 -0.500 395 HD2 TYR 53 HD1 TYR 53 -8.747 -4.840 1.225 396 HE1 TYR 53 HE2 TYR 53 -10.552 -7.950 -2.200 397 HE2 TYR 53 HE1 TYR 53 -10.300 -4.014 -0.482 398 HH TYR 53 HH TYR 53 -11.632 -4.535 -2.283 399 H ALA 54 HN ALA 54 -6.442 -7.534 4.238 400 HA ALA 54 HA ALA 54 -4.848 -8.601 5.384 401 1HB ALA 54 3HB ALA 54 -6.752 -9.216 6.761 402 2HB ALA 54 2HB ALA 54 -7.033 -10.683 5.809 403 3HB ALA 54 1HB ALA 54 -5.542 -10.507 6.752 404 H GLY 55 HN GLY 55 -6.379 -11.429 3.872 405 1HA GLY 55 1HA GLY 55 -3.767 -12.751 3.606 406 2HA GLY 55 2HA GLY 55 -5.356 -13.422 3.235 407 H LYS 56 HN LYS 56 -6.436 -12.379 1.258 408 HA LYS 56 HA LYS 56 -4.844 -13.231 -0.926 409 1HB LYS 56 2HB LYS 56 -7.462 -13.216 -0.292 410 2HB LYS 56 1HB LYS 56 -7.462 -11.789 -1.328 411 1HG LYS 56 2HG LYS 56 -6.702 -13.148 -3.224 412 2HG LYS 56 1HG LYS 56 -6.424 -14.533 -2.139 413 1HD LYS 56 1HD LYS 56 -8.831 -14.624 -1.579 414 2HD LYS 56 2HD LYS 56 -9.127 -13.198 -2.590 415 1HE LYS 56 2HE LYS 56 -9.792 -15.292 -3.717 416 2HE LYS 56 1HE LYS 56 -8.537 -14.417 -4.599 417 1HZ LYS 56 3HZ LYS 56 -8.021 -16.715 -2.849 418 2HZ LYS 56 2HZ LYS 56 -8.116 -16.757 -4.499 419 3HZ LYS 56 1HZ LYS 56 -6.927 -15.900 -3.787 420 H VAL 57 HN VAL 57 -3.884 -10.518 0.269 421 HA VAL 57 HA VAL 57 -3.397 -9.179 -2.287 422 HB VAL 57 HB VAL 57 -4.797 -7.689 -0.020 423 1HG1 VAL 57 1HG11 VAL 57 -3.837 -6.830 -2.778 424 2HG1 VAL 57 3HG13 VAL 57 -4.954 -5.866 -1.828 425 3HG1 VAL 57 2HG12 VAL 57 -3.327 -6.167 -1.230 426 1HG2 VAL 57 3HG23 VAL 57 -5.945 -8.492 -2.717 427 2HG2 VAL 57 1HG21 VAL 57 -6.513 -9.033 -1.120 428 3HG2 VAL 57 2HG22 VAL 57 -6.689 -7.349 -1.589 429 H ILE 58 HN ILE 58 -1.666 -7.678 -2.146 430 HA ILE 58 HA ILE 58 -0.115 -7.700 0.438 431 HB ILE 58 HB ILE 58 0.767 -7.763 -2.470 432 1HG1 ILE 58 2HG12 ILE 58 2.134 -9.713 -1.530 433 2HG1 ILE 58 1HG11 ILE 58 0.949 -9.730 -0.208 434 1HG2 ILE 58 2HG22 ILE 58 2.182 -6.206 -0.934 435 2HG2 ILE 58 1HG21 ILE 58 2.671 -7.707 -0.125 436 3HG2 ILE 58 3HG23 ILE 58 3.014 -7.483 -1.827 437 1HD1 ILE 58 2HD12 ILE 58 0.303 -9.943 -3.188 438 2HD1 ILE 58 3HD13 ILE 58 0.575 -11.334 -2.118 439 3HD1 ILE 58 1HD11 ILE 58 -0.812 -10.295 -1.848 440 H PHE 59 HN PHE 59 -0.635 -5.750 1.379 441 HA PHE 59 HA PHE 59 -1.207 -3.362 -0.327 442 1HB PHE 59 1HB PHE 59 -1.856 -4.094 2.514 443 2HB PHE 59 2HB PHE 59 -1.779 -2.428 2.014 444 HD1 PHE 59 HD1 PHE 59 -3.499 -5.648 1.110 445 HD2 PHE 59 HD2 PHE 59 -3.705 -1.356 1.310 446 HE1 PHE 59 HE1 PHE 59 -5.873 -5.691 0.360 447 HE2 PHE 59 HE2 PHE 59 -5.985 -1.397 0.414 448 HZ PHE 59 HZ PHE 59 -7.115 -3.585 0.015 449 H LEU 60 HN LEU 60 0.824 -2.583 -0.867 450 HA LEU 60 HA LEU 60 2.927 -2.345 1.244 451 1HB LEU 60 1HB LEU 60 2.868 -1.789 -1.741 452 2HB LEU 60 2HB LEU 60 4.277 -1.468 -0.702 453 HG LEU 60 HG LEU 60 3.006 -4.130 -1.424 454 1HD1 LEU 60 1HD21 LEU 60 4.468 -3.048 -3.136 455 2HD1 LEU 60 3HD23 LEU 60 5.781 -2.972 -1.947 456 3HD1 LEU 60 2HD22 LEU 60 5.184 -4.545 -2.506 457 1HD2 LEU 60 2HD12 LEU 60 5.320 -3.578 0.491 458 2HD2 LEU 60 1HD11 LEU 60 3.769 -4.357 0.887 459 3HD2 LEU 60 3HD13 LEU 60 4.913 -5.170 -0.191 460 H LYS 61 HN LYS 61 3.043 -0.530 2.449 461 HA LYS 61 HA LYS 61 1.761 2.000 1.490 462 1HB LYS 61 1HB LYS 61 2.649 0.941 4.198 463 2HB LYS 61 2HB LYS 61 2.219 2.641 3.916 464 1HG LYS 61 1HG LYS 61 0.017 2.069 3.175 465 2HG LYS 61 2HG LYS 61 0.358 0.324 3.231 466 1HD LYS 61 2HD LYS 61 0.524 0.275 5.586 467 2HD LYS 61 1HD LYS 61 0.643 2.045 5.717 468 1HE LYS 61 1HE LYS 61 -1.848 0.582 4.755 469 2HE LYS 61 2HE LYS 61 -1.553 1.108 6.419 470 1HZ LYS 61 2HZ LYS 61 -1.592 2.924 4.108 471 2HZ LYS 61 3HZ LYS 61 -2.823 2.736 5.182 472 3HZ LYS 61 1HZ LYS 61 -1.378 3.343 5.683 473 H VAL 62 HN VAL 62 3.161 3.377 0.410 474 HA VAL 62 HA VAL 62 6.020 3.380 1.297 475 HB VAL 62 HB VAL 62 4.946 3.881 -1.488 476 1HG1 VAL 62 1HG11 VAL 62 7.135 5.058 -0.880 477 2HG1 VAL 62 3HG13 VAL 62 7.754 3.467 -0.401 478 3HG1 VAL 62 2HG12 VAL 62 7.381 3.791 -2.089 479 1HG2 VAL 62 3HG23 VAL 62 6.388 1.447 -0.334 480 2HG2 VAL 62 2HG22 VAL 62 4.703 1.489 -0.890 481 3HG2 VAL 62 1HG21 VAL 62 6.016 1.737 -2.049 482 H ASP 63 HN ASP 63 6.597 5.255 2.247 483 HA ASP 63 HA ASP 63 5.072 7.728 1.775 484 1HB ASP 63 2HB ASP 63 5.789 7.271 4.042 485 2HB ASP 63 1HB ASP 63 7.478 7.251 3.530 486 H VAL 64 HN VAL 64 5.474 8.328 -0.282 487 HA VAL 64 HA VAL 64 7.558 7.836 -1.997 488 HB VAL 64 HB VAL 64 5.703 10.247 -1.738 489 1HG1 VAL 64 3HG23 VAL 64 7.566 9.644 -4.055 490 2HG1 VAL 64 1HG21 VAL 64 6.200 10.775 -4.102 491 3HG1 VAL 64 2HG22 VAL 64 7.570 11.103 -3.040 492 1HG2 VAL 64 2HG12 VAL 64 4.709 8.000 -2.223 493 2HG2 VAL 64 3HG13 VAL 64 4.509 9.137 -3.565 494 3HG2 VAL 64 1HG11 VAL 64 5.766 7.880 -3.640 495 H ASP 65 HN ASP 65 7.297 10.873 -0.102 496 HA ASP 65 HA ASP 65 9.767 11.976 -0.817 497 1HB ASP 65 2HB ASP 65 8.063 12.335 1.660 498 2HB ASP 65 1HB ASP 65 9.481 13.321 1.254 499 H ALA 66 HN ALA 66 9.020 9.758 1.944 500 HA ALA 66 HA ALA 66 11.678 9.947 3.048 501 1HB ALA 66 2HB ALA 66 9.717 9.208 4.361 502 2HB ALA 66 3HB ALA 66 9.605 7.747 3.357 503 3HB ALA 66 1HB ALA 66 11.024 8.004 4.383 504 H VAL 67 HN VAL 67 10.136 7.148 1.281 505 HA VAL 67 HA VAL 67 12.920 6.203 0.674 506 HB VAL 67 HB VAL 67 11.877 4.195 -0.192 507 1HG1 VAL 67 3HG13 VAL 67 12.934 4.280 2.001 508 2HG1 VAL 67 2HG12 VAL 67 11.415 4.821 2.742 509 3HG1 VAL 67 1HG11 VAL 67 11.534 3.207 2.010 510 1HG2 VAL 67 2HG22 VAL 67 9.574 5.016 -0.559 511 2HG2 VAL 67 3HG23 VAL 67 9.685 3.570 0.479 512 3HG2 VAL 67 1HG21 VAL 67 9.356 5.161 1.201 513 H ALA 68 HN ALA 68 12.906 8.361 -0.445 514 HA ALA 68 HA ALA 68 11.799 8.895 -2.920 515 1HB ALA 68 3HB ALA 68 13.317 10.410 -1.712 516 2HB ALA 68 2HB ALA 68 14.692 9.333 -2.049 517 3HB ALA 68 1HB ALA 68 13.867 10.168 -3.382 518 H ALA 69 HN ALA 69 14.530 6.712 -2.207 519 HA ALA 69 HA ALA 69 15.330 6.046 -4.824 520 1HB ALA 69 1HB ALA 69 16.583 5.428 -2.805 521 2HB ALA 69 3HB ALA 69 15.287 4.312 -2.316 522 3HB ALA 69 2HB ALA 69 16.228 3.996 -3.790 523 H VAL 70 HN VAL 70 12.752 4.604 -2.772 524 HA VAL 70 HA VAL 70 12.122 2.478 -4.658 525 HB VAL 70 HB VAL 70 10.536 3.595 -2.310 526 1HG1 VAL 70 1HG21 VAL 70 10.271 0.951 -3.813 527 2HG1 VAL 70 3HG23 VAL 70 9.374 1.425 -2.356 528 3HG1 VAL 70 2HG22 VAL 70 9.112 2.294 -3.873 529 1HG2 VAL 70 1HG11 VAL 70 12.775 2.669 -1.643 530 2HG2 VAL 70 3HG13 VAL 70 11.434 1.664 -1.074 531 3HG2 VAL 70 2HG12 VAL 70 12.378 1.167 -2.495 532 H ALA 71 HN ALA 71 10.803 5.662 -3.758 533 HA ALA 71 HA ALA 71 8.587 5.723 -5.514 534 1HB ALA 71 3HB ALA 71 9.017 7.394 -3.738 535 2HB ALA 71 1HB ALA 71 10.377 8.052 -4.666 536 3HB ALA 71 2HB ALA 71 8.740 8.170 -5.314 537 H GLU 72 HN GLU 72 11.913 7.028 -6.205 538 HA GLU 72 HA GLU 72 11.220 7.656 -8.916 539 1HB GLU 72 1HB GLU 72 13.535 8.093 -9.281 540 2HB GLU 72 2HB GLU 72 13.077 8.717 -7.693 541 1HG GLU 72 2HG GLU 72 14.088 6.621 -6.692 542 2HG GLU 72 1HG GLU 72 14.711 6.210 -8.294 543 H ALA 73 HN ALA 73 12.734 4.710 -7.428 544 HA ALA 73 HA ALA 73 13.245 3.342 -9.844 545 1HB ALA 73 2HB ALA 73 12.322 2.207 -7.166 546 2HB ALA 73 3HB ALA 73 13.067 1.289 -8.487 547 3HB ALA 73 1HB ALA 73 14.003 2.538 -7.645 548 H ALA 74 HN ALA 74 10.212 3.582 -7.934 549 HA ALA 74 HA ALA 74 8.695 1.962 -9.848 550 1HB ALA 74 2HB ALA 74 7.869 3.625 -7.434 551 2HB ALA 74 1HB ALA 74 6.812 2.524 -8.350 552 3HB ALA 74 3HB ALA 74 8.208 1.885 -7.458 553 H GLY 75 HN GLY 75 9.940 4.981 -10.304 554 1HA GLY 75 1HA GLY 75 9.463 6.643 -11.771 555 2HA GLY 75 2HA GLY 75 8.236 5.573 -12.478 556 H ILE 76 HN ILE 76 8.322 6.855 -9.134 557 HA ILE 76 HA ILE 76 5.649 8.083 -9.567 558 HB ILE 76 HB ILE 76 7.268 7.662 -7.024 559 1HG1 ILE 76 1HG11 ILE 76 6.723 5.501 -8.047 560 2HG1 ILE 76 2HG12 ILE 76 5.843 5.767 -6.555 561 1HG2 ILE 76 1HG21 ILE 76 4.379 8.516 -7.508 562 2HG2 ILE 76 2HG22 ILE 76 4.985 7.926 -5.952 563 3HG2 ILE 76 3HG23 ILE 76 5.649 9.401 -6.633 564 1HD1 ILE 76 3HD13 ILE 76 4.683 6.080 -9.365 565 2HD1 ILE 76 2HD12 ILE 76 4.454 4.716 -8.272 566 3HD1 ILE 76 1HD11 ILE 76 3.792 6.295 -7.833 567 H THR 77 HN THR 77 5.229 10.210 -8.878 568 HA THR 77 HA THR 77 7.375 12.058 -8.241 569 HB THR 77 HB THR 77 5.877 12.468 -10.879 570 HG1 THR 77 HG1 THR 77 8.250 11.204 -10.273 571 1HG2 THR 77 1HG21 THR 77 8.179 13.992 -9.567 572 2HG2 THR 77 2HG22 THR 77 7.491 14.320 -11.170 573 3HG2 THR 77 3HG23 THR 77 6.507 14.577 -9.717 574 H ALA 78 HN ALA 78 4.037 11.871 -9.596 575 HA ALA 78 HA ALA 78 3.058 13.825 -7.599 576 1HB ALA 78 3HB ALA 78 2.291 13.999 -9.949 577 2HB ALA 78 1HB ALA 78 1.650 12.341 -9.865 578 3HB ALA 78 2HB ALA 78 0.947 13.620 -8.854 579 H MET 79 HN MET 79 1.169 13.201 -6.238 580 HA MET 79 HA MET 79 0.527 10.431 -5.887 581 1HB MET 79 1HB MET 79 1.203 10.420 -3.486 582 2HB MET 79 2HB MET 79 2.563 10.360 -4.596 583 1HG MET 79 1HG MET 79 1.633 12.953 -3.292 584 2HG MET 79 2HG MET 79 2.750 11.827 -2.521 585 1HE MET 79 2HE MET 79 4.489 13.660 -2.100 586 2HE MET 79 3HE MET 79 5.159 14.706 -3.371 587 3HE MET 79 1HE MET 79 3.453 14.874 -2.895 588 HA PRO 80 HA PRO 80 -0.819 9.543 -3.431 589 1HB PRO 80 2HB PRO 80 -3.732 9.450 -4.169 590 2HB PRO 80 1HB PRO 80 -2.912 8.836 -2.705 591 1HG PRO 80 1HG PRO 80 -4.344 11.153 -2.662 592 2HG PRO 80 2HG PRO 80 -2.799 10.988 -1.785 593 1HD PRO 80 1HD PRO 80 -3.333 12.269 -4.495 594 2HD PRO 80 2HD PRO 80 -2.343 12.896 -3.149 595 H THR 81 HN THR 81 -0.044 7.935 -4.741 596 HA THR 81 HA THR 81 -1.398 7.433 -7.363 597 HB THR 81 HB THR 81 1.583 7.529 -6.769 598 HG1 THR 81 HG1 THR 81 1.429 9.380 -7.752 599 1HG2 THR 81 1HG21 THR 81 0.076 6.556 -9.237 600 2HG2 THR 81 3HG23 THR 81 1.807 6.945 -9.205 601 3HG2 THR 81 2HG22 THR 81 1.187 5.611 -8.215 602 H PHE 82 HN PHE 82 -2.229 5.475 -7.395 603 HA PHE 82 HA PHE 82 -1.188 3.384 -5.553 604 1HB PHE 82 2HB PHE 82 -3.929 3.828 -6.772 605 2HB PHE 82 1HB PHE 82 -3.460 2.400 -5.858 606 HD1 PHE 82 HD2 PHE 82 -2.953 2.526 -3.435 607 HD2 PHE 82 HD1 PHE 82 -4.325 5.987 -5.626 608 HE1 PHE 82 HE2 PHE 82 -3.322 3.755 -1.305 609 HE2 PHE 82 HE1 PHE 82 -4.631 7.206 -3.494 610 HZ PHE 82 HZ PHE 82 -3.962 6.119 -1.332 611 H HIS 83 HN HIS 83 -0.320 1.567 -6.537 612 HA HIS 83 HA HIS 83 -0.910 1.098 -9.460 613 1HB HIS 83 2HB HIS 83 1.640 0.582 -8.010 614 2HB HIS 83 1HB HIS 83 1.272 -0.005 -9.618 615 HD2 HIS 83 HD2 HIS 83 0.301 3.640 -9.674 616 HE1 HIS 83 HE1 HIS 83 4.411 3.476 -10.658 617 HE2 HIS 83 HE2 HIS 83 2.330 4.958 -10.667 618 H VAL 84 HN VAL 84 -1.156 -1.142 -9.970 619 HA VAL 84 HA VAL 84 -1.393 -3.012 -7.643 620 HB VAL 84 HB VAL 84 -3.010 -3.151 -10.219 621 1HG1 VAL 84 3HG23 VAL 84 -3.261 -4.436 -7.464 622 2HG1 VAL 84 1HG21 VAL 84 -4.391 -4.659 -8.810 623 3HG1 VAL 84 2HG22 VAL 84 -2.728 -5.253 -8.947 624 1HG2 VAL 84 2HG12 VAL 84 -3.862 -1.913 -7.580 625 2HG2 VAL 84 3HG13 VAL 84 -3.713 -1.080 -9.150 626 3HG2 VAL 84 1HG11 VAL 84 -4.934 -2.335 -8.935 627 H TYR 85 HN TYR 85 0.701 -3.960 -7.844 628 HA TYR 85 HA TYR 85 1.478 -4.947 -10.545 629 1HB TYR 85 2HB TYR 85 3.081 -5.002 -7.979 630 2HB TYR 85 1HB TYR 85 3.552 -5.681 -9.508 631 HD1 TYR 85 HD2 TYR 85 2.524 -2.456 -7.888 632 HD2 TYR 85 HD1 TYR 85 4.987 -4.388 -10.842 633 HE1 TYR 85 HE2 TYR 85 3.616 -0.292 -8.431 634 HE2 TYR 85 HE1 TYR 85 5.931 -2.189 -11.495 635 HH TYR 85 HH TYR 85 4.579 0.852 -10.195 636 H LYS 86 HN LYS 86 0.455 -6.824 -11.115 637 HA LYS 86 HA LYS 86 -0.429 -8.670 -8.950 638 1HB LYS 86 2HB LYS 86 -1.955 -8.368 -10.797 639 2HB LYS 86 1HB LYS 86 -0.713 -8.843 -11.977 640 1HG LYS 86 2HG LYS 86 -0.626 -11.074 -11.195 641 2HG LYS 86 1HG LYS 86 -1.437 -10.700 -9.680 642 1HD LYS 86 2HD LYS 86 -2.766 -10.557 -12.433 643 2HD LYS 86 1HD LYS 86 -2.800 -11.976 -11.376 644 1HE LYS 86 1HE LYS 86 -4.051 -9.262 -10.748 645 2HE LYS 86 2HE LYS 86 -4.873 -10.779 -11.120 646 1HZ LYS 86 2HZ LYS 86 -3.792 -11.706 -9.129 647 2HZ LYS 86 3HZ LYS 86 -3.268 -10.195 -8.748 648 3HZ LYS 86 1HZ LYS 86 -4.884 -10.501 -8.825 649 H ASP 87 HN ASP 87 0.940 -10.205 -8.243 650 HA ASP 87 HA ASP 87 2.611 -11.739 -8.054 651 1HB ASP 87 2HB ASP 87 2.106 -12.665 -10.249 652 2HB ASP 87 1HB ASP 87 2.997 -11.404 -11.083 653 H GLY 88 HN GLY 88 3.678 -9.486 -10.476 654 1HA GLY 88 1HA GLY 88 5.254 -7.772 -8.787 655 2HA GLY 88 2HA GLY 88 6.299 -8.941 -9.622 656 H VAL 89 HN VAL 89 3.342 -7.883 -11.322 657 HA VAL 89 HA VAL 89 4.919 -5.871 -12.855 658 HB VAL 89 HB VAL 89 5.157 -7.893 -14.089 659 1HG1 VAL 89 2HG12 VAL 89 2.128 -8.235 -14.059 660 2HG1 VAL 89 3HG13 VAL 89 3.279 -9.173 -15.022 661 3HG1 VAL 89 1HG11 VAL 89 3.325 -9.281 -13.262 662 1HG2 VAL 89 2HG22 VAL 89 4.731 -5.783 -15.326 663 2HG2 VAL 89 1HG21 VAL 89 4.212 -7.225 -16.216 664 3HG2 VAL 89 3HG23 VAL 89 3.005 -6.199 -15.421 665 H LYS 90 HN LYS 90 3.887 -4.043 -12.920 666 HA LYS 90 HA LYS 90 1.468 -3.323 -11.881 667 1HB LYS 90 1HB LYS 90 3.361 -1.853 -12.694 668 2HB LYS 90 2HB LYS 90 2.653 -1.970 -14.308 669 1HG LYS 90 1HG LYS 90 0.471 -1.088 -13.306 670 2HG LYS 90 2HG LYS 90 1.283 -0.999 -11.750 671 1HD LYS 90 1HD LYS 90 1.303 1.209 -12.630 672 2HD LYS 90 2HD LYS 90 2.956 0.602 -12.718 673 1HE LYS 90 1HE LYS 90 2.330 1.844 -14.753 674 2HE LYS 90 2HE LYS 90 2.661 0.155 -15.152 675 1HZ LYS 90 2HZ LYS 90 -0.017 1.331 -14.771 676 2HZ LYS 90 1HZ LYS 90 0.693 0.987 -16.216 677 3HZ LYS 90 3HZ LYS 90 0.306 -0.234 -15.187 678 H ALA 91 HN ALA 91 -0.286 -4.588 -12.305 679 HA ALA 91 HA ALA 91 -1.168 -5.214 -15.031 680 1HB ALA 91 3HB ALA 91 -1.439 -6.827 -13.173 681 2HB ALA 91 1HB ALA 91 -2.459 -5.661 -12.299 682 3HB ALA 91 2HB ALA 91 -3.012 -6.345 -13.842 683 H ASP 92 HN ASP 92 -1.807 -2.852 -12.475 684 HA ASP 92 HA ASP 92 -3.445 -1.222 -14.241 685 1HB ASP 92 1HB ASP 92 -4.865 -3.137 -13.208 686 2HB ASP 92 2HB ASP 92 -4.756 -2.247 -11.681 687 H ASP 93 HN ASP 93 -4.331 0.742 -12.702 688 HA ASP 93 HA ASP 93 -2.797 1.316 -10.396 689 1HB ASP 93 2HB ASP 93 -1.428 3.186 -11.253 690 2HB ASP 93 1HB ASP 93 -0.947 1.672 -11.986 691 H LEU 94 HN LEU 94 -3.011 3.802 -10.034 692 HA LEU 94 HA LEU 94 -5.338 5.166 -11.112 693 1HB LEU 94 1HB LEU 94 -6.686 3.805 -9.826 694 2HB LEU 94 2HB LEU 94 -5.460 3.541 -8.600 695 HG LEU 94 HG LEU 94 -5.868 5.859 -7.726 696 1HD1 LEU 94 2HD12 LEU 94 -6.640 6.885 -9.908 697 2HD1 LEU 94 1HD11 LEU 94 -8.144 5.967 -9.757 698 3HD1 LEU 94 3HD13 LEU 94 -7.719 7.203 -8.557 699 1HD2 LEU 94 1HD21 LEU 94 -7.040 3.968 -6.771 700 2HD2 LEU 94 2HD22 LEU 94 -8.034 5.431 -6.730 701 3HD2 LEU 94 3HD23 LEU 94 -8.361 4.161 -7.933 702 H VAL 95 HN VAL 95 -4.227 7.011 -11.353 703 HA VAL 95 HA VAL 95 -2.184 7.925 -9.481 704 HB VAL 95 HB VAL 95 -1.878 9.699 -11.167 705 1HG1 VAL 95 3HG23 VAL 95 -0.741 7.533 -11.445 706 2HG1 VAL 95 1HG21 VAL 95 -2.097 6.930 -12.421 707 3HG1 VAL 95 2HG22 VAL 95 -1.122 8.293 -12.999 708 1HG2 VAL 95 2HG12 VAL 95 -4.309 9.909 -11.848 709 2HG2 VAL 95 3HG13 VAL 95 -3.181 9.772 -13.202 710 3HG2 VAL 95 1HG11 VAL 95 -4.159 8.376 -12.722 711 H GLY 96 HN GLY 96 -4.934 7.911 -8.341 712 1HA GLY 96 1HA GLY 96 -4.872 10.627 -7.286 713 2HA GLY 96 2HA GLY 96 -6.281 10.317 -8.326 714 H ALA 97 HN ALA 97 -6.674 11.028 -5.751 715 HA ALA 97 HA ALA 97 -6.884 8.872 -3.857 716 1HB ALA 97 1HB ALA 97 -6.580 11.276 -3.294 717 2HB ALA 97 3HB ALA 97 -8.198 11.623 -3.933 718 3HB ALA 97 2HB ALA 97 -8.016 10.583 -2.509 719 H SER 98 HN SER 98 -8.286 8.002 -6.236 720 HA SER 98 HA SER 98 -11.182 8.554 -5.818 721 1HB SER 98 2HB SER 98 -9.803 6.725 -7.811 722 2HB SER 98 1HB SER 98 -11.508 7.191 -7.801 723 HG SER 98 HG SER 98 -9.403 9.093 -7.906 724 H GLN 99 HN GLN 99 -10.808 7.693 -3.574 725 HA GLN 99 HA GLN 99 -10.192 5.246 -2.664 726 1HB GLN 99 1HB GLN 99 -12.748 6.744 -1.897 727 2HB GLN 99 2HB GLN 99 -11.956 5.495 -0.929 728 1HG GLN 99 2HG GLN 99 -10.823 8.242 -1.633 729 2HG GLN 99 1HG GLN 99 -11.368 7.684 -0.057 730 1HE2 GLN 99 2HE22 GLN 99 -8.484 5.548 0.481 731 2HE2 GLN 99 1HE21 GLN 99 -10.213 5.602 0.760 732 H ASP 100 HN ASP 100 -13.490 5.810 -4.034 733 HA ASP 100 HA ASP 100 -14.383 3.136 -3.674 734 1HB ASP 100 1HB ASP 100 -15.901 4.995 -4.199 735 2HB ASP 100 2HB ASP 100 -15.160 5.182 -5.800 736 H LYS 101 HN LYS 101 -12.597 4.662 -6.352 737 HA LYS 101 HA LYS 101 -12.761 2.391 -8.134 738 1HB LYS 101 2HB LYS 101 -12.381 4.891 -8.639 739 2HB LYS 101 1HB LYS 101 -10.690 4.626 -8.209 740 1HG LYS 101 2HG LYS 101 -12.125 2.935 -10.295 741 2HG LYS 101 1HG LYS 101 -11.479 4.539 -10.664 742 1HD LYS 101 1HD LYS 101 -9.229 3.907 -10.077 743 2HD LYS 101 2HD LYS 101 -9.748 2.300 -9.563 744 1HE LYS 101 2HE LYS 101 -10.022 3.416 -12.399 745 2HE LYS 101 1HE LYS 101 -8.703 2.374 -11.852 746 1HZ LYS 101 2HZ LYS 101 -10.314 0.685 -11.345 747 2HZ LYS 101 3HZ LYS 101 -11.543 1.637 -11.894 748 3HZ LYS 101 1HZ LYS 101 -10.376 1.115 -12.933 749 H LEU 102 HN LEU 102 -10.449 3.677 -5.786 750 HA LEU 102 HA LEU 102 -8.321 1.860 -5.980 751 1HB LEU 102 1HB LEU 102 -8.884 3.961 -4.376 752 2HB LEU 102 2HB LEU 102 -9.264 2.677 -3.223 753 HG LEU 102 HG LEU 102 -6.594 3.163 -4.555 754 1HD1 LEU 102 2HD12 LEU 102 -7.710 3.501 -1.726 755 2HD1 LEU 102 1HD11 LEU 102 -6.005 3.642 -2.144 756 3HD1 LEU 102 3HD13 LEU 102 -7.171 4.789 -2.825 757 1HD2 LEU 102 1HD21 LEU 102 -7.412 1.039 -2.521 758 2HD2 LEU 102 3HD23 LEU 102 -6.885 0.738 -4.198 759 3HD2 LEU 102 2HD22 LEU 102 -5.753 1.422 -3.027 760 H LYS 103 HN LYS 103 -11.191 1.651 -3.822 761 HA LYS 103 HA LYS 103 -10.808 -0.930 -2.805 762 1HB LYS 103 1HB LYS 103 -12.483 0.813 -2.098 763 2HB LYS 103 2HB LYS 103 -13.476 0.405 -3.489 764 1HG LYS 103 2HG LYS 103 -13.731 -1.914 -2.689 765 2HG LYS 103 1HG LYS 103 -12.685 -1.561 -1.300 766 1HD LYS 103 1HD LYS 103 -14.297 0.178 -0.538 767 2HD LYS 103 2HD LYS 103 -15.333 -0.175 -1.936 768 1HE LYS 103 1HE LYS 103 -15.612 -2.518 -1.130 769 2HE LYS 103 2HE LYS 103 -14.590 -2.154 0.274 770 1HZ LYS 103 2HZ LYS 103 -17.147 -0.859 -0.366 771 2HZ LYS 103 1HZ LYS 103 -16.901 -2.003 0.795 772 3HZ LYS 103 3HZ LYS 103 -16.199 -0.520 0.940 773 H ALA 104 HN ALA 104 -12.773 0.078 -5.596 774 HA ALA 104 HA ALA 104 -13.631 -2.427 -6.501 775 1HB ALA 104 1HB ALA 104 -14.446 -0.251 -7.374 776 2HB ALA 104 2HB ALA 104 -12.904 -0.019 -8.227 777 3HB ALA 104 3HB ALA 104 -13.971 -1.359 -8.677 778 H LEU 105 HN LEU 105 -10.554 -0.724 -7.345 779 HA LEU 105 HA LEU 105 -9.609 -2.693 -9.168 780 1HB LEU 105 2HB LEU 105 -8.159 -0.736 -7.336 781 2HB LEU 105 1HB LEU 105 -7.292 -1.840 -8.392 782 HG LEU 105 HG LEU 105 -9.355 0.120 -9.437 783 1HD1 LEU 105 1HD11 LEU 105 -6.314 0.375 -9.198 784 2HD1 LEU 105 3HD13 LEU 105 -7.354 1.492 -10.096 785 3HD1 LEU 105 2HD12 LEU 105 -7.517 1.359 -8.336 786 1HD2 LEU 105 3HD23 LEU 105 -7.160 -1.523 -10.745 787 2HD2 LEU 105 2HD22 LEU 105 -8.908 -1.705 -11.006 788 3HD2 LEU 105 1HD21 LEU 105 -8.085 -0.250 -11.570 789 H VAL 106 HN VAL 106 -9.045 -2.349 -5.594 790 HA VAL 106 HA VAL 106 -7.454 -4.704 -5.479 791 HB VAL 106 HB VAL 106 -9.285 -3.760 -3.227 792 1HG1 VAL 106 1HG21 VAL 106 -6.670 -5.339 -3.338 793 2HG1 VAL 106 3HG23 VAL 106 -7.515 -4.867 -1.853 794 3HG1 VAL 106 2HG22 VAL 106 -8.257 -6.016 -2.965 795 1HG2 VAL 106 1HG11 VAL 106 -6.554 -2.770 -4.127 796 2HG2 VAL 106 3HG13 VAL 106 -7.993 -1.823 -3.720 797 3HG2 VAL 106 2HG12 VAL 106 -7.098 -2.626 -2.440 798 H ALA 107 HN ALA 107 -10.973 -4.307 -5.048 799 HA ALA 107 HA ALA 107 -11.624 -6.998 -4.531 800 1HB ALA 107 1HB ALA 107 -13.240 -5.117 -4.370 801 2HB ALA 107 3HB ALA 107 -13.259 -4.976 -6.139 802 3HB ALA 107 2HB ALA 107 -13.875 -6.444 -5.360 803 H LYS 108 HN LYS 108 -11.478 -5.369 -7.714 804 HA LYS 108 HA LYS 108 -12.085 -7.573 -9.363 805 1HB LYS 108 1HB LYS 108 -12.013 -5.243 -10.075 806 2HB LYS 108 2HB LYS 108 -10.286 -5.133 -9.793 807 1HG LYS 108 2HG LYS 108 -9.894 -6.868 -11.575 808 2HG LYS 108 1HG LYS 108 -11.632 -6.840 -11.923 809 1HD LYS 108 2HD LYS 108 -9.667 -4.501 -12.115 810 2HD LYS 108 1HD LYS 108 -10.290 -5.450 -13.469 811 1HE LYS 108 2HE LYS 108 -12.616 -4.675 -12.894 812 2HE LYS 108 1HE LYS 108 -11.922 -3.625 -11.641 813 1HZ LYS 108 1HZ LYS 108 -10.664 -2.524 -13.336 814 2HZ LYS 108 2HZ LYS 108 -11.319 -3.482 -14.504 815 3HZ LYS 108 3HZ LYS 108 -12.279 -2.446 -13.656 816 H HIS 109 HN HIS 109 -8.877 -6.208 -8.662 817 HA HIS 109 HA HIS 109 -7.481 -8.341 -9.995 818 1HB HIS 109 1HB HIS 109 -6.538 -6.137 -8.120 819 2HB HIS 109 2HB HIS 109 -5.475 -7.290 -8.947 820 HD2 HIS 109 HD2 HIS 109 -7.792 -4.262 -9.994 821 HE1 HIS 109 HE1 HIS 109 -5.378 -5.413 -13.243 822 HE2 HIS 109 HE2 HIS 109 -7.029 -3.659 -12.421 823 H ALA 110 HN ALA 110 -8.616 -8.079 -6.645 824 HA ALA 110 HA ALA 110 -6.900 -10.253 -5.705 825 1HB ALA 110 1HB ALA 110 -7.734 -8.443 -4.215 826 2HB ALA 110 2HB ALA 110 -9.397 -9.028 -4.468 827 3HB ALA 110 3HB ALA 110 -8.196 -10.058 -3.659 828 H ALA 111 HN ALA 111 -9.456 -10.393 -7.919 829 HA ALA 111 HA ALA 111 -10.849 -12.665 -6.749 830 1HB ALA 111 1HB ALA 111 -11.895 -11.049 -8.312 831 2HB ALA 111 2HB ALA 111 -10.807 -11.608 -9.603 832 3HB ALA 111 3HB ALA 111 -11.998 -12.720 -8.897 833 H ALA 112 HN ALA 112 -8.157 -13.374 -6.523 834 HA ALA 112 HA ALA 112 -8.045 -15.865 -7.888 835 1HB ALA 112 1HB ALA 112 -6.025 -13.726 -8.724 836 2HB ALA 112 2HB ALA 112 -5.948 -15.457 -9.132 837 3HB ALA 112 3HB ALA 112 -7.247 -14.453 -9.791 No H/Q in entry = 837 Start of MODEL 19 1 1H GLY 1 2HN GLY 1 -3.812 -9.072 3.145 2 2H GLY 1 1HN GLY 1 -3.355 -9.247 1.539 3 3H GLY 1 3HN GLY 1 -4.544 -10.220 2.170 4 1HA GLY 1 1HA GLY 1 -3.252 -11.654 3.085 5 2HA GLY 1 2HA GLY 1 -1.989 -10.923 2.070 6 H GLY 2 HN GLY 2 -0.754 -11.766 4.230 7 1HA GLY 2 1HA GLY 2 -0.967 -10.246 6.634 8 2HA GLY 2 2HA GLY 2 0.488 -11.081 6.048 9 H SER 3 HN SER 3 0.832 -9.786 3.600 10 HA SER 3 HA SER 3 2.191 -7.409 4.175 11 1HB SER 3 1HB SER 3 1.130 -8.480 1.561 12 2HB SER 3 2HB SER 3 2.569 -7.460 1.763 13 HG SER 3 HG SER 3 3.484 -9.208 2.975 14 H VAL 4 HN VAL 4 0.265 -6.466 5.312 15 HA VAL 4 HA VAL 4 -0.983 -4.360 3.615 16 HB VAL 4 HB VAL 4 -2.197 -6.079 5.828 17 1HG1 VAL 4 1HG21 VAL 4 -2.878 -3.245 5.079 18 2HG1 VAL 4 2HG22 VAL 4 -4.151 -4.364 5.645 19 3HG1 VAL 4 3HG23 VAL 4 -2.769 -3.995 6.672 20 1HG2 VAL 4 3HG13 VAL 4 -3.154 -5.350 3.016 21 2HG2 VAL 4 2HG12 VAL 4 -2.605 -6.907 3.574 22 3HG2 VAL 4 1HG11 VAL 4 -4.108 -6.236 4.217 23 H ILE 5 HN ILE 5 0.761 -2.958 4.092 24 HA ILE 5 HA ILE 5 1.292 -2.395 6.976 25 HB ILE 5 HB ILE 5 3.784 -2.375 6.319 26 1HG1 ILE 5 2HG12 ILE 5 4.539 -3.788 4.553 27 2HG1 ILE 5 1HG11 ILE 5 2.905 -4.246 4.075 28 1HG2 ILE 5 3HG23 ILE 5 2.722 -4.101 7.750 29 2HG2 ILE 5 2HG22 ILE 5 2.385 -5.078 6.307 30 3HG2 ILE 5 1HG21 ILE 5 4.057 -4.731 6.775 31 1HD1 ILE 5 1HD11 ILE 5 3.940 -1.381 3.870 32 2HD1 ILE 5 2HD12 ILE 5 4.089 -2.584 2.582 33 3HD1 ILE 5 3HD13 ILE 5 2.487 -2.081 3.124 34 H VAL 6 HN VAL 6 2.907 -0.564 7.154 35 HA VAL 6 HA VAL 6 2.365 1.574 5.189 36 HB VAL 6 HB VAL 6 2.155 3.146 7.093 37 1HG1 VAL 6 2HG22 VAL 6 0.107 2.088 6.187 38 2HG1 VAL 6 1HG21 VAL 6 0.208 0.822 7.426 39 3HG1 VAL 6 3HG23 VAL 6 -0.045 2.511 7.897 40 1HG2 VAL 6 1HG11 VAL 6 3.526 1.925 8.780 41 2HG2 VAL 6 2HG12 VAL 6 1.930 2.356 9.404 42 3HG2 VAL 6 3HG13 VAL 6 2.257 0.688 8.908 43 H ILE 7 HN ILE 7 4.638 -0.288 5.566 44 HA ILE 7 HA ILE 7 6.788 1.497 6.548 45 HB ILE 7 HB ILE 7 6.875 -0.846 7.146 46 1HG1 ILE 7 2HG12 ILE 7 9.151 -0.024 5.275 47 2HG1 ILE 7 1HG11 ILE 7 8.895 0.613 6.905 48 1HG2 ILE 7 3HG23 ILE 7 5.951 -1.734 4.865 49 2HG2 ILE 7 2HG22 ILE 7 7.639 -1.648 4.327 50 3HG2 ILE 7 1HG21 ILE 7 7.195 -2.655 5.705 51 1HD1 ILE 7 3HD13 ILE 7 9.112 -1.653 7.863 52 2HD1 ILE 7 2HD12 ILE 7 9.434 -2.311 6.245 53 3HD1 ILE 7 1HD11 ILE 7 10.562 -1.152 6.970 54 H ASP 8 HN ASP 8 6.176 3.125 5.076 55 HA ASP 8 HA ASP 8 6.451 2.960 2.222 56 1HB ASP 8 1HB ASP 8 6.369 5.264 4.216 57 2HB ASP 8 2HB ASP 8 6.601 5.496 2.484 58 H SER 9 HN SER 9 8.498 1.650 2.665 59 HA SER 9 HA SER 9 10.798 3.323 1.891 60 1HB SER 9 2HB SER 9 10.893 1.450 4.297 61 2HB SER 9 1HB SER 9 12.269 2.333 3.608 62 HG SER 9 HG SER 9 10.374 4.121 4.035 63 H LYS 10 HN LYS 10 12.631 1.923 1.233 64 HA LYS 10 HA LYS 10 12.217 0.249 -0.833 65 1HB LYS 10 1HB LYS 10 14.358 1.172 -0.235 66 2HB LYS 10 2HB LYS 10 14.422 0.244 1.274 67 1HG LYS 10 1HG LYS 10 14.722 -1.826 0.103 68 2HG LYS 10 2HG LYS 10 14.388 -1.065 -1.468 69 1HD LYS 10 1HD LYS 10 16.439 0.251 -1.324 70 2HD LYS 10 2HD LYS 10 16.703 -0.252 0.355 71 1HE LYS 10 1HE LYS 10 18.178 -1.479 -1.203 72 2HE LYS 10 2HE LYS 10 17.088 -2.567 -0.326 73 1HZ LYS 10 3HZ LYS 10 16.617 -1.599 -3.059 74 2HZ LYS 10 2HZ LYS 10 17.254 -3.071 -2.666 75 3HZ LYS 10 1HZ LYS 10 15.714 -2.703 -2.218 76 H ALA 11 HN ALA 11 12.398 -0.797 2.541 77 HA ALA 11 HA ALA 11 12.430 -3.559 2.389 78 1HB ALA 11 2HB ALA 11 10.781 -1.804 4.254 79 2HB ALA 11 1HB ALA 11 11.196 -3.510 4.538 80 3HB ALA 11 3HB ALA 11 12.478 -2.282 4.491 81 H ALA 12 HN ALA 12 9.569 -1.417 1.855 82 HA ALA 12 HA ALA 12 7.709 -3.613 1.745 83 1HB ALA 12 2HB ALA 12 7.566 -0.761 0.670 84 2HB ALA 12 3HB ALA 12 6.224 -1.920 0.609 85 3HB ALA 12 1HB ALA 12 6.857 -1.399 2.170 86 H TRP 13 HN TRP 13 9.488 -1.714 -0.663 87 HA TRP 13 HA TRP 13 8.329 -2.760 -3.011 88 1HB TRP 13 2HB TRP 13 9.744 -0.707 -2.832 89 2HB TRP 13 1HB TRP 13 11.169 -1.725 -2.610 90 HD1 TRP 13 HD1 TRP 13 12.211 -2.840 -4.733 91 HE1 TRP 13 HE1 TRP 13 11.767 -2.682 -7.270 92 HE3 TRP 13 HE3 TRP 13 7.738 -0.354 -4.641 93 HZ2 TRP 13 HZ2 TRP 13 9.751 -1.694 -8.987 94 HZ3 TRP 13 HZ3 TRP 13 6.607 0.239 -6.751 95 HH2 TRP 13 HH2 TRP 13 7.599 -0.414 -8.943 96 H ASP 14 HN ASP 14 11.114 -3.944 -1.087 97 HA ASP 14 HA ASP 14 11.324 -6.284 -2.980 98 1HB ASP 14 2HB ASP 14 13.545 -6.632 -1.748 99 2HB ASP 14 1HB ASP 14 13.347 -5.358 -2.932 100 H ALA 15 HN ALA 15 12.015 -5.894 0.442 101 HA ALA 15 HA ALA 15 11.752 -8.616 1.056 102 1HB ALA 15 2HB ALA 15 12.818 -6.936 2.545 103 2HB ALA 15 1HB ALA 15 11.213 -6.335 3.010 104 3HB ALA 15 3HB ALA 15 11.680 -7.995 3.399 105 H GLN 16 HN GLN 16 9.249 -6.132 1.622 106 HA GLN 16 HA GLN 16 7.307 -8.025 2.546 107 1HB GLN 16 2HB GLN 16 7.214 -5.513 2.863 108 2HB GLN 16 1HB GLN 16 6.616 -5.423 1.187 109 1HG GLN 16 2HG GLN 16 4.718 -5.390 2.652 110 2HG GLN 16 1HG GLN 16 4.749 -6.920 1.771 111 1HE2 GLN 16 2HE22 GLN 16 5.647 -6.975 5.820 112 2HE2 GLN 16 1HE21 GLN 16 6.119 -5.580 4.868 113 H LEU 17 HN LEU 17 7.731 -6.489 -0.697 114 HA LEU 17 HA LEU 17 5.770 -7.788 -2.131 115 1HB LEU 17 1HB LEU 17 7.224 -6.089 -3.100 116 2HB LEU 17 2HB LEU 17 8.638 -7.132 -2.943 117 HG LEU 17 HG LEU 17 7.739 -8.693 -4.624 118 1HD1 LEU 17 2HD12 LEU 17 5.444 -6.706 -4.798 119 2HD1 LEU 17 1HD11 LEU 17 5.751 -8.002 -5.970 120 3HD1 LEU 17 3HD13 LEU 17 5.313 -8.408 -4.306 121 1HD2 LEU 17 1HD21 LEU 17 7.739 -5.783 -5.533 122 2HD2 LEU 17 3HD23 LEU 17 9.165 -6.827 -5.351 123 3HD2 LEU 17 2HD22 LEU 17 7.947 -7.202 -6.580 124 H ALA 18 HN ALA 18 9.052 -9.081 -1.470 125 HA ALA 18 HA ALA 18 8.747 -11.535 -2.825 126 1HB ALA 18 1HB ALA 18 10.892 -10.625 -2.048 127 2HB ALA 18 2HB ALA 18 10.417 -10.882 -0.357 128 3HB ALA 18 3HB ALA 18 10.637 -12.275 -1.437 129 H LYS 19 HN LYS 19 8.331 -10.946 0.760 130 HA LYS 19 HA LYS 19 7.375 -13.632 1.166 131 1HB LYS 19 1HB LYS 19 6.624 -12.926 3.343 132 2HB LYS 19 2HB LYS 19 8.273 -12.381 3.023 133 1HG LYS 19 2HG LYS 19 7.531 -10.152 2.599 134 2HG LYS 19 1HG LYS 19 5.820 -10.568 2.742 135 1HD LYS 19 1HD LYS 19 7.857 -10.901 5.000 136 2HD LYS 19 2HD LYS 19 6.884 -9.442 4.760 137 1HE LYS 19 1HE LYS 19 4.794 -10.800 4.941 138 2HE LYS 19 2HE LYS 19 5.773 -12.235 5.301 139 1HZ LYS 19 1HZ LYS 19 5.699 -9.771 6.886 140 2HZ LYS 19 2HZ LYS 19 4.976 -11.200 7.271 141 3HZ LYS 19 3HZ LYS 19 6.620 -11.099 7.217 142 H GLY 20 HN GLY 20 5.716 -10.800 -0.108 143 1HA GLY 20 1HA GLY 20 3.051 -11.592 0.389 144 2HA GLY 20 2HA GLY 20 3.636 -10.606 -0.969 145 H LYS 21 HN LYS 21 5.433 -13.204 -1.582 146 HA LYS 21 HA LYS 21 5.346 -14.930 -3.046 147 1HB LYS 21 1HB LYS 21 2.603 -15.436 -1.800 148 2HB LYS 21 2HB LYS 21 3.495 -16.556 -2.838 149 1HG LYS 21 1HG LYS 21 5.364 -16.614 -1.220 150 2HG LYS 21 2HG LYS 21 4.490 -15.481 -0.174 151 1HD LYS 21 1HD LYS 21 2.624 -17.105 0.043 152 2HD LYS 21 2HD LYS 21 3.511 -18.257 -0.980 153 1HE LYS 21 2HE LYS 21 5.369 -18.291 0.683 154 2HE LYS 21 1HE LYS 21 4.481 -17.134 1.696 155 1HZ LYS 21 1HZ LYS 21 2.746 -18.754 1.920 156 2HZ LYS 21 2HZ LYS 21 3.566 -19.831 0.979 157 3HZ LYS 21 3HZ LYS 21 4.184 -19.371 2.436 158 H GLU 22 HN GLU 22 5.276 -13.025 -4.479 159 HA GLU 22 HA GLU 22 2.862 -12.382 -5.931 160 1HB GLU 22 1HB GLU 22 4.894 -10.868 -5.412 161 2HB GLU 22 2HB GLU 22 5.701 -11.663 -6.770 162 1HG GLU 22 1HG GLU 22 3.030 -10.179 -6.846 163 2HG GLU 22 2HG GLU 22 4.575 -9.525 -7.410 164 H GLU 23 HN GLU 23 2.638 -14.814 -6.217 165 HA GLU 23 HA GLU 23 3.952 -16.066 -8.486 166 1HB GLU 23 2HB GLU 23 1.138 -16.557 -7.385 167 2HB GLU 23 1HB GLU 23 2.017 -17.591 -8.511 168 1HG GLU 23 1HG GLU 23 3.781 -17.984 -6.818 169 2HG GLU 23 2HG GLU 23 2.934 -16.946 -5.662 170 H HIS 24 HN HIS 24 0.836 -14.435 -8.076 171 HA HIS 24 HA HIS 24 1.040 -12.846 -10.499 172 1HB HIS 24 2HB HIS 24 -0.992 -13.778 -11.540 173 2HB HIS 24 1HB HIS 24 0.224 -15.042 -11.393 174 HD2 HIS 24 HD2 HIS 24 -3.281 -14.066 -9.889 175 HE1 HIS 24 HE1 HIS 24 -2.263 -17.923 -8.493 176 HE2 HIS 24 HE2 HIS 24 -4.166 -16.208 -8.711 177 H LYS 25 HN LYS 25 0.773 -12.524 -7.576 178 HA LYS 25 HA LYS 25 -2.016 -12.154 -6.909 179 1HB LYS 25 2HB LYS 25 0.480 -11.173 -5.454 180 2HB LYS 25 1HB LYS 25 -1.149 -11.246 -4.773 181 1HG LYS 25 2HG LYS 25 0.556 -13.613 -5.638 182 2HG LYS 25 1HG LYS 25 0.258 -13.078 -3.982 183 1HD LYS 25 1HD LYS 25 -2.231 -13.470 -4.391 184 2HD LYS 25 2HD LYS 25 -1.795 -14.236 -5.930 185 1HE LYS 25 1HE LYS 25 -0.921 -15.116 -3.138 186 2HE LYS 25 2HE LYS 25 -2.058 -15.949 -4.213 187 1HZ LYS 25 2HZ LYS 25 -0.235 -16.219 -5.770 188 2HZ LYS 25 1HZ LYS 25 0.811 -15.525 -4.693 189 3HZ LYS 25 3HZ LYS 25 0.080 -16.955 -4.334 190 HA PRO 26 HA PRO 26 -2.211 -7.808 -8.134 191 1HB PRO 26 2HB PRO 26 -4.379 -6.955 -6.721 192 2HB PRO 26 1HB PRO 26 -4.528 -8.050 -8.127 193 1HG PRO 26 1HG PRO 26 -4.367 -8.868 -5.224 194 2HG PRO 26 2HG PRO 26 -5.662 -9.270 -6.359 195 1HD PRO 26 1HD PRO 26 -3.588 -10.977 -5.904 196 2HD PRO 26 2HD PRO 26 -4.094 -10.703 -7.589 197 H ILE 27 HN ILE 27 -0.155 -7.327 -7.185 198 HA ILE 27 HA ILE 27 -0.276 -6.393 -4.380 199 HB ILE 27 HB ILE 27 1.939 -6.593 -4.164 200 1HG1 ILE 27 2HG12 ILE 27 3.503 -6.753 -6.290 201 2HG1 ILE 27 1HG11 ILE 27 2.226 -5.795 -7.022 202 1HG2 ILE 27 2HG22 ILE 27 0.937 -8.816 -4.929 203 2HG2 ILE 27 3HG23 ILE 27 1.657 -8.468 -6.515 204 3HG2 ILE 27 1HG21 ILE 27 2.691 -8.646 -5.083 205 1HD1 ILE 27 2HD12 ILE 27 2.447 -4.201 -5.028 206 2HD1 ILE 27 1HD11 ILE 27 3.797 -5.191 -4.480 207 3HD1 ILE 27 3HD13 ILE 27 3.926 -4.322 -6.020 208 H VAL 28 HN VAL 28 -0.987 -4.499 -3.997 209 HA VAL 28 HA VAL 28 -1.168 -2.531 -6.201 210 HB VAL 28 HB VAL 28 -2.545 -2.389 -3.500 211 1HG1 VAL 28 1HG11 VAL 28 -2.523 -0.404 -5.055 212 2HG1 VAL 28 3HG13 VAL 28 -3.294 -1.404 -6.297 213 3HG1 VAL 28 2HG12 VAL 28 -4.156 -1.066 -4.787 214 1HG2 VAL 28 2HG22 VAL 28 -3.569 -3.884 -5.949 215 2HG2 VAL 28 1HG21 VAL 28 -3.191 -4.598 -4.366 216 3HG2 VAL 28 3HG23 VAL 28 -4.518 -3.456 -4.506 217 H VAL 29 HN VAL 29 0.293 -0.935 -6.176 218 HA VAL 29 HA VAL 29 1.823 -0.338 -3.671 219 HB VAL 29 HB VAL 29 2.523 0.121 -6.590 220 1HG1 VAL 29 2HG12 VAL 29 4.131 0.473 -4.031 221 2HG1 VAL 29 1HG11 VAL 29 4.738 0.681 -5.689 222 3HG1 VAL 29 3HG13 VAL 29 3.545 1.806 -5.046 223 1HG2 VAL 29 2HG22 VAL 29 3.382 -1.933 -4.519 224 2HG2 VAL 29 1HG21 VAL 29 2.518 -2.224 -6.044 225 3HG2 VAL 29 3HG23 VAL 29 4.209 -1.674 -6.070 226 H ASP 30 HN ASP 30 0.801 1.262 -2.645 227 HA ASP 30 HA ASP 30 -0.377 3.579 -4.021 228 1HB ASP 30 1HB ASP 30 -1.460 2.792 -2.027 229 2HB ASP 30 2HB ASP 30 0.048 2.777 -1.125 230 H PHE 31 HN PHE 31 1.373 4.497 -5.167 231 HA PHE 31 HA PHE 31 3.756 5.438 -3.694 232 1HB PHE 31 1HB PHE 31 2.721 5.937 -6.499 233 2HB PHE 31 2HB PHE 31 4.124 6.726 -5.822 234 HD1 PHE 31 HD1 PHE 31 6.202 5.502 -5.312 235 HD2 PHE 31 HD2 PHE 31 2.844 3.573 -7.212 236 HE1 PHE 31 HE1 PHE 31 7.744 3.930 -6.439 237 HE2 PHE 31 HE2 PHE 31 4.406 2.044 -8.385 238 HZ PHE 31 HZ PHE 31 6.850 2.261 -8.065 239 H THR 32 HN THR 32 3.413 7.167 -2.285 240 HA THR 32 HA THR 32 1.768 9.427 -3.250 241 HB THR 32 HB THR 32 1.298 7.946 -0.629 242 HG1 THR 32 HG1 THR 32 -0.071 7.208 -2.195 243 1HG2 THR 32 1HG21 THR 32 0.355 10.706 -1.515 244 2HG2 THR 32 3HG23 THR 32 -0.377 9.783 -0.195 245 3HG2 THR 32 2HG22 THR 32 1.300 10.334 -0.054 246 H ALA 33 HN ALA 33 2.398 11.405 -2.425 247 HA ALA 33 HA ALA 33 5.173 11.589 -1.468 248 1HB ALA 33 3HB ALA 33 2.994 13.484 -2.386 249 2HB ALA 33 1HB ALA 33 4.369 14.087 -1.459 250 3HB ALA 33 2HB ALA 33 4.637 13.255 -3.008 251 H THR 34 HN THR 34 5.421 11.030 0.718 252 HA THR 34 HA THR 34 3.358 11.241 2.660 253 HB THR 34 HB THR 34 6.384 11.233 3.015 254 HG1 THR 34 HG1 THR 34 5.542 9.478 1.867 255 1HG2 THR 34 3HG23 THR 34 4.178 10.482 4.974 256 2HG2 THR 34 2HG22 THR 34 5.915 10.182 5.188 257 3HG2 THR 34 1HG21 THR 34 5.312 11.850 5.138 258 H TRP 35 HN TRP 35 5.781 13.560 1.590 259 HA TRP 35 HA TRP 35 5.308 15.597 3.538 260 1HB TRP 35 1HB TRP 35 6.254 17.083 1.708 261 2HB TRP 35 2HB TRP 35 7.262 15.757 2.267 262 HD1 TRP 35 HD1 TRP 35 7.810 13.790 0.608 263 HE1 TRP 35 HE1 TRP 35 7.720 13.563 -1.972 264 HE3 TRP 35 HE3 TRP 35 4.869 17.842 -0.473 265 HZ2 TRP 35 HZ2 TRP 35 6.664 15.035 -4.175 266 HZ3 TRP 35 HZ3 TRP 35 4.324 18.388 -2.825 267 HH2 TRP 35 HH2 TRP 35 5.217 17.003 -4.681 268 H CYS 36 HN CYS 36 3.448 14.571 0.680 269 HA CYS 36 HA CYS 36 1.828 17.044 0.659 270 1HB CYS 36 1HB CYS 36 2.286 15.959 -1.484 271 2HB CYS 36 2HB CYS 36 1.557 14.461 -0.889 272 H GLY 37 HN GLY 37 1.451 16.717 2.984 273 1HA GLY 37 1HA GLY 37 0.120 14.843 4.387 274 2HA GLY 37 2HA GLY 37 -0.315 16.556 4.519 275 HA PRO 38 HA PRO 38 -4.272 16.057 2.595 276 1HB PRO 38 1HB PRO 38 -3.294 17.131 -0.063 277 2HB PRO 38 2HB PRO 38 -4.797 17.537 0.817 278 1HG PRO 38 1HG PRO 38 -2.687 19.219 0.970 279 2HG PRO 38 2HG PRO 38 -3.551 18.776 2.474 280 1HD PRO 38 1HD PRO 38 -0.982 17.612 1.385 281 2HD PRO 38 2HD PRO 38 -1.345 18.148 3.053 282 H CYS 39 HN CYS 39 -1.700 15.056 0.343 283 HA CYS 39 HA CYS 39 -3.308 13.259 -1.252 284 1HB CYS 39 1HB CYS 39 -0.315 13.067 -0.721 285 2HB CYS 39 2HB CYS 39 -1.242 12.287 -1.989 286 H LYS 40 HN LYS 40 -1.195 12.923 1.628 287 HA LYS 40 HA LYS 40 -1.591 10.100 1.887 288 1HB LYS 40 1HB LYS 40 -0.643 12.278 3.771 289 2HB LYS 40 2HB LYS 40 -0.956 10.660 4.392 290 1HG LYS 40 1HG LYS 40 0.963 11.262 2.112 291 2HG LYS 40 2HG LYS 40 1.398 11.044 3.816 292 1HD LYS 40 2HD LYS 40 0.370 8.741 3.761 293 2HD LYS 40 1HD LYS 40 0.160 8.907 2.010 294 1HE LYS 40 2HE LYS 40 2.612 9.184 1.736 295 2HE LYS 40 1HE LYS 40 2.811 8.930 3.484 296 1HZ LYS 40 3HZ LYS 40 1.622 7.009 1.608 297 2HZ LYS 40 2HZ LYS 40 3.143 6.924 2.223 298 3HZ LYS 40 1HZ LYS 40 1.847 6.775 3.221 299 H MET 41 HN MET 41 -4.004 12.557 2.417 300 HA MET 41 HA MET 41 -5.417 11.035 4.486 301 1HB MET 41 2HB MET 41 -6.461 13.055 2.435 302 2HB MET 41 1HB MET 41 -7.334 12.453 3.847 303 1HG MET 41 2HG MET 41 -5.669 13.417 5.359 304 2HG MET 41 1HG MET 41 -4.730 14.019 3.989 305 1HE MET 41 1HE MET 41 -4.628 16.344 5.155 306 2HE MET 41 3HE MET 41 -6.065 17.273 5.645 307 3HE MET 41 2HE MET 41 -5.649 15.766 6.495 308 H ILE 42 HN ILE 42 -4.824 10.386 1.140 309 HA ILE 42 HA ILE 42 -7.174 8.594 1.000 310 HB ILE 42 HB ILE 42 -4.828 9.136 -0.864 311 1HG1 ILE 42 1HG11 ILE 42 -6.953 9.758 -2.298 312 2HG1 ILE 42 2HG12 ILE 42 -7.783 9.911 -0.762 313 1HG2 ILE 42 3HG23 ILE 42 -7.164 7.210 -1.110 314 2HG2 ILE 42 2HG22 ILE 42 -6.119 7.706 -2.459 315 3HG2 ILE 42 1HG21 ILE 42 -5.431 6.808 -1.106 316 1HD1 ILE 42 1HD11 ILE 42 -5.277 11.444 -1.611 317 2HD1 ILE 42 2HD12 ILE 42 -6.935 12.057 -1.673 318 3HD1 ILE 42 3HD13 ILE 42 -6.189 11.715 -0.109 319 H ALA 43 HN ALA 43 -3.856 8.494 2.151 320 HA ALA 43 HA ALA 43 -3.305 5.764 1.804 321 1HB ALA 43 2HB ALA 43 -1.661 7.458 2.582 322 2HB ALA 43 1HB ALA 43 -2.442 7.477 4.182 323 3HB ALA 43 3HB ALA 43 -1.681 5.997 3.584 324 HA PRO 44 HA PRO 44 -5.499 4.751 5.974 325 1HB PRO 44 1HB PRO 44 -7.658 6.287 6.756 326 2HB PRO 44 2HB PRO 44 -5.991 6.505 7.362 327 1HG PRO 44 1HG PRO 44 -7.341 7.990 5.098 328 2HG PRO 44 2HG PRO 44 -6.426 8.686 6.468 329 1HD PRO 44 2HD PRO 44 -5.255 8.332 4.110 330 2HD PRO 44 1HD PRO 44 -4.344 7.903 5.574 331 H LEU 45 HN LEU 45 -7.285 6.370 3.343 332 HA LEU 45 HA LEU 45 -9.474 4.449 3.324 333 1HB LEU 45 1HB LEU 45 -8.373 6.347 1.224 334 2HB LEU 45 2HB LEU 45 -9.547 5.122 0.793 335 HG LEU 45 HG LEU 45 -10.486 7.370 1.237 336 1HD1 LEU 45 3HD23 LEU 45 -11.877 5.322 1.373 337 2HD1 LEU 45 1HD21 LEU 45 -11.564 5.226 3.119 338 3HD1 LEU 45 2HD22 LEU 45 -12.440 6.611 2.450 339 1HD2 LEU 45 1HD11 LEU 45 -9.036 8.000 3.151 340 2HD2 LEU 45 2HD12 LEU 45 -10.762 8.217 3.484 341 3HD2 LEU 45 3HD13 LEU 45 -9.902 6.833 4.178 342 H PHE 46 HN PHE 46 -6.341 4.591 1.594 343 HA PHE 46 HA PHE 46 -6.560 2.129 0.200 344 1HB PHE 46 1HB PHE 46 -4.781 3.875 -0.108 345 2HB PHE 46 2HB PHE 46 -4.032 3.353 1.392 346 HD1 PHE 46 HD2 PHE 46 -4.882 2.323 -2.054 347 HD2 PHE 46 HD1 PHE 46 -2.652 1.345 1.472 348 HE1 PHE 46 HE2 PHE 46 -3.569 0.665 -3.339 349 HE2 PHE 46 HE1 PHE 46 -1.108 -0.059 0.118 350 HZ PHE 46 HZ PHE 46 -1.591 -0.457 -2.290 351 H GLU 47 HN GLU 47 -5.309 2.833 3.491 352 HA GLU 47 HA GLU 47 -4.636 0.188 4.212 353 1HB GLU 47 2HB GLU 47 -3.974 2.256 5.451 354 2HB GLU 47 1HB GLU 47 -5.649 2.449 5.995 355 1HG GLU 47 2HG GLU 47 -4.236 1.442 7.736 356 2HG GLU 47 1HG GLU 47 -5.544 0.359 7.253 357 H THR 48 HN THR 48 -7.753 1.963 4.464 358 HA THR 48 HA THR 48 -9.186 -0.098 5.819 359 HB THR 48 HB THR 48 -10.291 1.909 3.799 360 HG1 THR 48 HG1 THR 48 -9.089 2.894 5.517 361 1HG2 THR 48 1HG21 THR 48 -11.578 0.451 6.147 362 2HG2 THR 48 2HG22 THR 48 -12.346 1.703 5.152 363 3HG2 THR 48 3HG23 THR 48 -11.910 0.146 4.426 364 H LEU 49 HN LEU 49 -8.644 0.553 2.305 365 HA LEU 49 HA LEU 49 -10.139 -1.695 1.422 366 1HB LEU 49 2HB LEU 49 -9.234 0.302 0.054 367 2HB LEU 49 1HB LEU 49 -7.697 -0.559 -0.017 368 HG LEU 49 HG LEU 49 -8.886 -2.401 -1.201 369 1HD1 LEU 49 3HD13 LEU 49 -11.284 -0.602 -0.629 370 2HD1 LEU 49 1HD11 LEU 49 -11.298 -1.681 -2.022 371 3HD1 LEU 49 2HD12 LEU 49 -11.157 -2.360 -0.403 372 1HD2 LEU 49 1HD21 LEU 49 -7.885 -0.508 -2.443 373 2HD2 LEU 49 3HD23 LEU 49 -9.256 -1.234 -3.285 374 3HD2 LEU 49 2HD22 LEU 49 -9.464 0.313 -2.433 375 H SER 50 HN SER 50 -6.767 -1.334 2.433 376 HA SER 50 HA SER 50 -5.835 -3.974 1.788 377 1HB SER 50 2HB SER 50 -4.936 -2.300 4.174 378 2HB SER 50 1HB SER 50 -4.034 -3.470 3.227 379 HG SER 50 HG SER 50 -4.987 -1.124 2.005 380 H ASN 51 HN ASN 51 -7.299 -2.679 4.782 381 HA ASN 51 HA ASN 51 -7.338 -5.144 6.209 382 1HB ASN 51 2HB ASN 51 -7.724 -3.042 7.332 383 2HB ASN 51 1HB ASN 51 -9.136 -2.682 6.335 384 1HD2 ASN 51 1HD21 ASN 51 -11.358 -4.761 8.178 385 2HD2 ASN 51 2HD22 ASN 51 -11.138 -3.869 6.681 386 H ASP 52 HN ASP 52 -9.744 -3.643 3.993 387 HA ASP 52 HA ASP 52 -11.753 -5.628 4.229 388 1HB ASP 52 1HB ASP 52 -12.144 -3.467 3.142 389 2HB ASP 52 2HB ASP 52 -10.995 -3.865 1.857 390 H TYR 53 HN TYR 53 -9.071 -5.405 1.766 391 HA TYR 53 HA TYR 53 -9.745 -8.128 0.783 392 1HB TYR 53 1HB TYR 53 -7.922 -5.917 -0.081 393 2HB TYR 53 2HB TYR 53 -7.859 -7.528 -0.797 394 HD1 TYR 53 HD2 TYR 53 -9.785 -8.413 -2.134 395 HD2 TYR 53 HD1 TYR 53 -9.631 -4.366 -0.712 396 HE1 TYR 53 HE2 TYR 53 -11.175 -7.681 -4.048 397 HE2 TYR 53 HE1 TYR 53 -10.780 -3.604 -2.780 398 HH TYR 53 HH TYR 53 -11.871 -4.260 -4.775 399 H ALA 54 HN ALA 54 -9.180 -8.413 3.311 400 HA ALA 54 HA ALA 54 -6.428 -8.556 3.985 401 1HB ALA 54 3HB ALA 54 -8.808 -10.169 5.054 402 2HB ALA 54 2HB ALA 54 -7.208 -10.086 5.823 403 3HB ALA 54 1HB ALA 54 -8.200 -8.628 5.699 404 H GLY 55 HN GLY 55 -8.409 -10.615 1.988 405 1HA GLY 55 1HA GLY 55 -7.123 -13.126 2.195 406 2HA GLY 55 2HA GLY 55 -8.084 -12.519 0.834 407 H LYS 56 HN LYS 56 -6.751 -13.467 -0.736 408 HA LYS 56 HA LYS 56 -3.859 -13.166 -0.733 409 1HB LYS 56 1HB LYS 56 -4.101 -14.431 -2.932 410 2HB LYS 56 2HB LYS 56 -4.578 -15.213 -1.446 411 1HG LYS 56 1HG LYS 56 -6.104 -15.797 -3.208 412 2HG LYS 56 2HG LYS 56 -6.941 -14.981 -1.912 413 1HD LYS 56 2HD LYS 56 -7.867 -14.123 -3.918 414 2HD LYS 56 1HD LYS 56 -6.793 -12.836 -3.372 415 1HE LYS 56 1HE LYS 56 -5.015 -13.897 -4.966 416 2HE LYS 56 2HE LYS 56 -6.327 -14.909 -5.576 417 1HZ LYS 56 1HZ LYS 56 -7.497 -12.873 -6.142 418 2HZ LYS 56 3HZ LYS 56 -6.190 -11.984 -5.639 419 3HZ LYS 56 2HZ LYS 56 -6.060 -13.045 -6.908 420 H VAL 57 HN VAL 57 -4.543 -10.694 -0.610 421 HA VAL 57 HA VAL 57 -3.828 -9.530 -3.245 422 HB VAL 57 HB VAL 57 -5.772 -8.378 -1.203 423 1HG1 VAL 57 2HG22 VAL 57 -4.478 -6.666 -2.549 424 2HG1 VAL 57 3HG23 VAL 57 -5.211 -7.333 -4.012 425 3HG1 VAL 57 1HG21 VAL 57 -6.236 -6.622 -2.774 426 1HG2 VAL 57 3HG13 VAL 57 -6.327 -9.684 -3.899 427 2HG2 VAL 57 1HG11 VAL 57 -6.941 -10.184 -2.310 428 3HG2 VAL 57 2HG12 VAL 57 -7.501 -8.675 -3.039 429 H ILE 58 HN ILE 58 -2.206 -7.880 -3.041 430 HA ILE 58 HA ILE 58 -0.997 -7.721 -0.274 431 HB ILE 58 HB ILE 58 0.298 -7.801 -3.016 432 1HG1 ILE 58 1HG11 ILE 58 -0.428 -9.995 -2.452 433 2HG1 ILE 58 2HG12 ILE 58 1.327 -9.869 -2.397 434 1HG2 ILE 58 1HG21 ILE 58 1.500 -7.382 -0.276 435 2HG2 ILE 58 2HG22 ILE 58 2.448 -7.862 -1.697 436 3HG2 ILE 58 3HG23 ILE 58 1.594 -6.315 -1.673 437 1HD1 ILE 58 2HD12 ILE 58 -0.425 -9.850 0.095 438 2HD1 ILE 58 3HD13 ILE 58 0.371 -11.269 -0.601 439 3HD1 ILE 58 1HD11 ILE 58 1.358 -9.932 -0.011 440 H PHE 59 HN PHE 59 -0.617 -5.663 0.548 441 HA PHE 59 HA PHE 59 -1.156 -3.347 -1.298 442 1HB PHE 59 2HB PHE 59 -2.158 -3.769 1.511 443 2HB PHE 59 1HB PHE 59 -2.109 -2.222 0.719 444 HD1 PHE 59 HD1 PHE 59 -3.540 -5.671 0.324 445 HD2 PHE 59 HD2 PHE 59 -3.920 -1.468 -0.573 446 HE1 PHE 59 HE1 PHE 59 -5.813 -6.043 -0.496 447 HE2 PHE 59 HE2 PHE 59 -6.160 -1.859 -1.499 448 HZ PHE 59 HZ PHE 59 -7.181 -4.104 -1.373 449 H LEU 60 HN LEU 60 0.677 -2.336 -1.543 450 HA LEU 60 HA LEU 60 2.569 -1.994 0.745 451 1HB LEU 60 1HB LEU 60 3.011 -1.920 -2.255 452 2HB LEU 60 2HB LEU 60 4.261 -1.673 -1.018 453 HG LEU 60 HG LEU 60 2.767 -4.223 -1.754 454 1HD1 LEU 60 3HD23 LEU 60 4.692 -3.511 -3.171 455 2HD1 LEU 60 2HD22 LEU 60 5.725 -3.481 -1.738 456 3HD1 LEU 60 1HD21 LEU 60 5.036 -5.019 -2.296 457 1HD2 LEU 60 3HD13 LEU 60 4.710 -3.816 0.563 458 2HD2 LEU 60 1HD11 LEU 60 2.996 -4.276 0.700 459 3HD2 LEU 60 2HD12 LEU 60 4.148 -5.385 -0.050 460 H LYS 61 HN LYS 61 3.368 0.111 1.077 461 HA LYS 61 HA LYS 61 2.130 2.321 -0.500 462 1HB LYS 61 2HB LYS 61 2.859 2.333 2.452 463 2HB LYS 61 1HB LYS 61 2.267 3.712 1.498 464 1HG LYS 61 2HG LYS 61 0.127 2.480 1.085 465 2HG LYS 61 1HG LYS 61 0.758 1.167 2.098 466 1HD LYS 61 1HD LYS 61 1.003 2.861 3.976 467 2HD LYS 61 2HD LYS 61 0.283 4.082 2.926 468 1HE LYS 61 2HE LYS 61 -1.325 3.109 4.567 469 2HE LYS 61 1HE LYS 61 -1.844 2.910 2.895 470 1HZ LYS 61 2HZ LYS 61 -0.410 0.823 4.408 471 2HZ LYS 61 3HZ LYS 61 -2.051 0.915 4.344 472 3HZ LYS 61 1HZ LYS 61 -1.176 0.654 2.969 473 H VAL 62 HN VAL 62 3.590 3.919 -1.087 474 HA VAL 62 HA VAL 62 6.459 3.531 -0.367 475 HB VAL 62 HB VAL 62 5.382 3.647 -3.232 476 1HG1 VAL 62 2HG12 VAL 62 8.229 3.672 -2.152 477 2HG1 VAL 62 1HG11 VAL 62 7.791 3.487 -3.859 478 3HG1 VAL 62 3HG13 VAL 62 7.445 5.009 -3.027 479 1HG2 VAL 62 3HG23 VAL 62 6.971 1.513 -1.741 480 2HG2 VAL 62 2HG22 VAL 62 5.272 1.386 -2.239 481 3HG2 VAL 62 1HG21 VAL 62 6.540 1.488 -3.464 482 H ASP 63 HN ASP 63 7.351 5.410 0.217 483 HA ASP 63 HA ASP 63 5.797 7.860 -0.090 484 1HB ASP 63 1HB ASP 63 6.754 7.635 2.032 485 2HB ASP 63 2HB ASP 63 8.344 7.240 1.399 486 H VAL 64 HN VAL 64 5.970 9.074 -1.841 487 HA VAL 64 HA VAL 64 8.195 8.902 -3.734 488 HB VAL 64 HB VAL 64 5.795 10.786 -3.653 489 1HG1 VAL 64 1HG21 VAL 64 7.806 10.105 -5.848 490 2HG1 VAL 64 2HG22 VAL 64 6.286 10.970 -6.123 491 3HG1 VAL 64 3HG23 VAL 64 7.541 11.698 -5.121 492 1HG2 VAL 64 1HG11 VAL 64 6.248 8.152 -5.129 493 2HG2 VAL 64 3HG13 VAL 64 5.103 8.407 -3.804 494 3HG2 VAL 64 2HG12 VAL 64 4.858 9.229 -5.348 495 H ASP 65 HN ASP 65 9.662 9.301 -1.993 496 HA ASP 65 HA ASP 65 11.090 11.701 -2.230 497 1HB ASP 65 1HB ASP 65 9.610 12.923 -0.884 498 2HB ASP 65 2HB ASP 65 9.324 11.591 0.239 499 H ALA 66 HN ALA 66 10.396 9.624 0.662 500 HA ALA 66 HA ALA 66 13.040 8.887 1.159 501 1HB ALA 66 2HB ALA 66 11.129 8.450 2.693 502 2HB ALA 66 3HB ALA 66 10.565 7.164 1.598 503 3HB ALA 66 1HB ALA 66 12.123 7.006 2.424 504 H VAL 67 HN VAL 67 10.675 7.348 -1.086 505 HA VAL 67 HA VAL 67 12.948 5.734 -2.207 506 HB VAL 67 HB VAL 67 10.060 5.006 -2.607 507 1HG1 VAL 67 1HG21 VAL 67 12.101 3.957 -3.784 508 2HG1 VAL 67 3HG23 VAL 67 12.542 3.266 -2.226 509 3HG1 VAL 67 2HG22 VAL 67 10.998 2.816 -2.984 510 1HG2 VAL 67 1HG11 VAL 67 11.713 4.245 -0.162 511 2HG2 VAL 67 3HG13 VAL 67 10.135 5.075 -0.164 512 3HG2 VAL 67 2HG12 VAL 67 10.252 3.391 -0.692 513 H ALA 68 HN ALA 68 12.546 8.490 -2.814 514 HA ALA 68 HA ALA 68 11.004 9.189 -4.970 515 1HB ALA 68 3HB ALA 68 13.907 9.943 -4.397 516 2HB ALA 68 2HB ALA 68 12.862 10.768 -5.573 517 3HB ALA 68 1HB ALA 68 12.445 10.799 -3.859 518 H ALA 69 HN ALA 69 14.233 7.620 -5.218 519 HA ALA 69 HA ALA 69 14.561 7.659 -7.973 520 1HB ALA 69 2HB ALA 69 16.278 6.907 -6.376 521 2HB ALA 69 3HB ALA 69 15.339 5.437 -6.028 522 3HB ALA 69 1HB ALA 69 16.026 5.694 -7.645 523 H VAL 70 HN VAL 70 12.767 5.199 -6.070 524 HA VAL 70 HA VAL 70 12.237 3.470 -8.330 525 HB VAL 70 HB VAL 70 10.874 3.731 -5.619 526 1HG1 VAL 70 2HG22 VAL 70 9.417 2.524 -7.220 527 2HG1 VAL 70 1HG21 VAL 70 10.757 1.422 -7.596 528 3HG1 VAL 70 3HG23 VAL 70 10.064 1.470 -5.960 529 1HG2 VAL 70 2HG12 VAL 70 13.321 3.128 -5.513 530 2HG2 VAL 70 3HG13 VAL 70 12.289 1.766 -5.040 531 3HG2 VAL 70 1HG11 VAL 70 13.019 1.811 -6.659 532 H ALA 71 HN ALA 71 10.406 5.992 -6.593 533 HA ALA 71 HA ALA 71 8.018 5.863 -8.152 534 1HB ALA 71 1HB ALA 71 8.265 7.144 -6.034 535 2HB ALA 71 2HB ALA 71 9.279 8.334 -6.878 536 3HB ALA 71 3HB ALA 71 7.582 8.125 -7.348 537 H GLU 72 HN GLU 72 11.012 7.763 -8.651 538 HA GLU 72 HA GLU 72 10.325 9.067 -11.018 539 1HB GLU 72 1HB GLU 72 12.646 8.760 -9.389 540 2HB GLU 72 2HB GLU 72 13.150 8.161 -10.969 541 1HG GLU 72 1HG GLU 72 12.308 10.232 -12.008 542 2HG GLU 72 2HG GLU 72 11.781 10.796 -10.393 543 H ALA 73 HN ALA 73 12.155 5.983 -10.662 544 HA ALA 73 HA ALA 73 12.307 5.374 -13.389 545 1HB ALA 73 1HB ALA 73 13.595 4.218 -11.614 546 2HB ALA 73 3HB ALA 73 12.106 3.456 -11.012 547 3HB ALA 73 2HB ALA 73 12.725 3.045 -12.625 548 H ALA 74 HN ALA 74 9.743 4.554 -11.039 549 HA ALA 74 HA ALA 74 8.144 2.991 -12.839 550 1HB ALA 74 3HB ALA 74 8.021 2.825 -10.384 551 2HB ALA 74 1HB ALA 74 7.408 4.488 -10.287 552 3HB ALA 74 2HB ALA 74 6.441 3.222 -11.071 553 H GLY 75 HN GLY 75 8.645 6.446 -12.597 554 1HA GLY 75 1HA GLY 75 7.841 8.108 -13.930 555 2HA GLY 75 2HA GLY 75 6.832 6.928 -14.789 556 H ILE 76 HN ILE 76 6.909 7.810 -11.290 557 HA ILE 76 HA ILE 76 3.997 8.078 -11.268 558 HB ILE 76 HB ILE 76 6.094 8.763 -9.161 559 1HG1 ILE 76 1HG11 ILE 76 6.112 6.381 -9.808 560 2HG1 ILE 76 2HG12 ILE 76 5.572 6.619 -8.150 561 1HG2 ILE 76 1HG21 ILE 76 3.060 8.539 -9.020 562 2HG2 ILE 76 3HG23 ILE 76 4.114 8.516 -7.588 563 3HG2 ILE 76 2HG22 ILE 76 4.068 9.940 -8.635 564 1HD1 ILE 76 3HD13 ILE 76 3.744 6.083 -10.540 565 2HD1 ILE 76 2HD12 ILE 76 4.323 4.884 -9.396 566 3HD1 ILE 76 1HD11 ILE 76 3.261 6.181 -8.829 567 H THR 77 HN THR 77 2.768 9.876 -11.276 568 HA THR 77 HA THR 77 4.113 12.516 -11.747 569 HB THR 77 HB THR 77 2.187 12.917 -13.305 570 HG1 THR 77 HG1 THR 77 1.166 10.877 -14.001 571 1HG2 THR 77 1HG21 THR 77 4.422 12.146 -14.134 572 2HG2 THR 77 2HG22 THR 77 3.862 10.464 -14.029 573 3HG2 THR 77 3HG23 THR 77 3.081 11.590 -15.153 574 H ALA 78 HN ALA 78 0.691 11.729 -11.499 575 HA ALA 78 HA ALA 78 0.345 13.888 -9.482 576 1HB ALA 78 1HB ALA 78 -1.657 12.303 -11.134 577 2HB ALA 78 2HB ALA 78 -2.043 13.641 -10.032 578 3HB ALA 78 3HB ALA 78 -1.048 13.934 -11.473 579 H MET 79 HN MET 79 1.241 12.806 -7.639 580 HA MET 79 HA MET 79 0.333 10.325 -6.622 581 1HB MET 79 2HB MET 79 1.404 12.751 -5.121 582 2HB MET 79 1HB MET 79 1.121 11.157 -4.415 583 1HG MET 79 1HG MET 79 3.400 11.158 -4.853 584 2HG MET 79 2HG MET 79 2.687 10.182 -6.137 585 1HE MET 79 3HE MET 79 3.454 13.973 -5.352 586 2HE MET 79 1HE MET 79 5.046 13.166 -5.273 587 3HE MET 79 2HE MET 79 4.693 14.314 -6.581 588 HA PRO 80 HA PRO 80 -0.576 9.303 -4.440 589 1HB PRO 80 2HB PRO 80 -3.464 8.473 -4.732 590 2HB PRO 80 1HB PRO 80 -2.321 8.035 -3.436 591 1HG PRO 80 1HG PRO 80 -4.204 9.919 -3.009 592 2HG PRO 80 2HG PRO 80 -2.528 10.229 -2.463 593 1HD PRO 80 2HD PRO 80 -3.873 11.195 -5.017 594 2HD PRO 80 1HD PRO 80 -2.915 12.136 -3.847 595 H THR 81 HN THR 81 -0.159 7.307 -5.626 596 HA THR 81 HA THR 81 -1.611 6.945 -8.184 597 HB THR 81 HB THR 81 1.380 7.357 -7.926 598 HG1 THR 81 HG1 THR 81 -0.598 9.038 -8.463 599 1HG2 THR 81 2HG22 THR 81 -0.323 6.414 -10.284 600 2HG2 THR 81 3HG23 THR 81 1.343 7.010 -10.442 601 3HG2 THR 81 1HG21 THR 81 1.013 5.543 -9.505 602 H PHE 82 HN PHE 82 -2.324 4.989 -8.127 603 HA PHE 82 HA PHE 82 -1.035 2.931 -6.458 604 1HB PHE 82 2HB PHE 82 -3.696 2.933 -7.873 605 2HB PHE 82 1HB PHE 82 -3.131 1.774 -6.680 606 HD1 PHE 82 HD2 PHE 82 -2.583 2.632 -4.318 607 HD2 PHE 82 HD1 PHE 82 -4.654 5.061 -7.215 608 HE1 PHE 82 HE2 PHE 82 -3.241 4.236 -2.528 609 HE2 PHE 82 HE1 PHE 82 -5.204 6.691 -5.451 610 HZ PHE 82 HZ PHE 82 -4.482 6.272 -3.094 611 H HIS 83 HN HIS 83 0.382 1.525 -7.501 612 HA HIS 83 HA HIS 83 -0.119 0.890 -10.421 613 1HB HIS 83 1HB HIS 83 2.369 0.877 -8.704 614 2HB HIS 83 2HB HIS 83 2.238 0.012 -10.248 615 HD2 HIS 83 HD2 HIS 83 0.552 3.391 -10.606 616 HE1 HIS 83 HE1 HIS 83 4.439 3.666 -12.229 617 HE2 HIS 83 HE2 HIS 83 2.172 4.808 -12.104 618 H VAL 84 HN VAL 84 -0.619 -1.254 -10.949 619 HA VAL 84 HA VAL 84 -0.681 -3.185 -8.675 620 HB VAL 84 HB VAL 84 -2.082 -3.444 -11.349 621 1HG1 VAL 84 2HG22 VAL 84 -1.709 -5.515 -9.997 622 2HG1 VAL 84 3HG23 VAL 84 -2.466 -4.728 -8.597 623 3HG1 VAL 84 1HG21 VAL 84 -3.426 -5.073 -10.050 624 1HG2 VAL 84 2HG12 VAL 84 -3.134 -2.273 -8.736 625 2HG2 VAL 84 3HG13 VAL 84 -2.991 -1.422 -10.291 626 3HG2 VAL 84 1HG11 VAL 84 -4.140 -2.754 -10.119 627 H TYR 85 HN TYR 85 1.173 -4.401 -8.599 628 HA TYR 85 HA TYR 85 2.577 -5.031 -11.180 629 1HB TYR 85 1HB TYR 85 3.657 -4.870 -8.379 630 2HB TYR 85 2HB TYR 85 4.519 -5.532 -9.753 631 HD1 TYR 85 HD1 TYR 85 5.303 -4.099 -11.599 632 HD2 TYR 85 HD2 TYR 85 3.280 -2.471 -8.171 633 HE1 TYR 85 HE1 TYR 85 6.190 -1.840 -12.144 634 HE2 TYR 85 HE2 TYR 85 4.329 -0.268 -8.604 635 HH TYR 85 HH TYR 85 5.002 1.034 -10.662 636 H LYS 86 HN LYS 86 1.635 -6.912 -11.888 637 HA LYS 86 HA LYS 86 1.428 -9.263 -10.027 638 1HB LYS 86 2HB LYS 86 0.465 -8.711 -12.867 639 2HB LYS 86 1HB LYS 86 0.379 -10.311 -12.112 640 1HG LYS 86 2HG LYS 86 -0.995 -9.516 -10.315 641 2HG LYS 86 1HG LYS 86 -0.937 -7.852 -10.928 642 1HD LYS 86 1HD LYS 86 -2.125 -8.438 -12.933 643 2HD LYS 86 2HD LYS 86 -1.969 -10.178 -12.627 644 1HE LYS 86 1HE LYS 86 -3.435 -8.327 -10.718 645 2HE LYS 86 2HE LYS 86 -4.247 -9.095 -12.091 646 1HZ LYS 86 1HZ LYS 86 -2.855 -10.578 -9.964 647 2HZ LYS 86 2HZ LYS 86 -4.493 -10.358 -10.094 648 3HZ LYS 86 3HZ LYS 86 -3.672 -11.214 -11.234 649 H ASP 87 HN ASP 87 2.064 -11.293 -11.876 650 HA ASP 87 HA ASP 87 4.956 -11.125 -12.163 651 1HB ASP 87 1HB ASP 87 4.683 -13.261 -13.350 652 2HB ASP 87 2HB ASP 87 3.936 -13.110 -11.757 653 H GLY 88 HN GLY 88 2.089 -10.958 -14.099 654 1HA GLY 88 1HA GLY 88 3.357 -9.935 -16.553 655 2HA GLY 88 2HA GLY 88 1.632 -9.826 -16.150 656 H VAL 89 HN VAL 89 4.482 -8.702 -14.390 657 HA VAL 89 HA VAL 89 4.536 -6.869 -12.871 658 HB VAL 89 HB VAL 89 6.164 -5.604 -13.994 659 1HG1 VAL 89 2HG12 VAL 89 6.330 -8.145 -13.261 660 2HG1 VAL 89 1HG11 VAL 89 6.417 -8.467 -14.989 661 3HG1 VAL 89 3HG13 VAL 89 7.640 -7.465 -14.223 662 1HG2 VAL 89 1HG21 VAL 89 5.058 -5.291 -16.253 663 2HG2 VAL 89 2HG22 VAL 89 6.698 -5.944 -16.382 664 3HG2 VAL 89 3HG23 VAL 89 5.298 -7.011 -16.583 665 H LYS 90 HN LYS 90 4.630 -4.292 -14.478 666 HA LYS 90 HA LYS 90 2.476 -3.041 -13.142 667 1HB LYS 90 2HB LYS 90 4.585 -2.000 -14.039 668 2HB LYS 90 1HB LYS 90 3.889 -2.064 -15.664 669 1HG LYS 90 1HG LYS 90 1.941 -0.685 -14.769 670 2HG LYS 90 2HG LYS 90 2.813 -0.531 -13.241 671 1HD LYS 90 1HD LYS 90 3.768 0.429 -15.982 672 2HD LYS 90 2HD LYS 90 3.071 1.435 -14.706 673 1HE LYS 90 2HE LYS 90 4.964 0.822 -13.196 674 2HE LYS 90 1HE LYS 90 5.713 -0.082 -14.528 675 1HZ LYS 90 1HZ LYS 90 5.761 1.969 -15.777 676 2HZ LYS 90 3HZ LYS 90 5.159 2.800 -14.486 677 3HZ LYS 90 2HZ LYS 90 6.624 2.075 -14.379 678 H ALA 91 HN ALA 91 0.782 -4.566 -13.617 679 HA ALA 91 HA ALA 91 -0.235 -4.930 -16.289 680 1HB ALA 91 1HB ALA 91 -0.377 -6.652 -14.524 681 2HB ALA 91 3HB ALA 91 -1.442 -5.599 -13.565 682 3HB ALA 91 2HB ALA 91 -1.991 -6.232 -15.133 683 H ASP 92 HN ASP 92 -0.946 -2.680 -13.666 684 HA ASP 92 HA ASP 92 -2.756 -1.168 -15.353 685 1HB ASP 92 2HB ASP 92 -4.038 -3.120 -14.167 686 2HB ASP 92 1HB ASP 92 -3.882 -2.161 -12.698 687 H ASP 93 HN ASP 93 -3.356 0.879 -14.192 688 HA ASP 93 HA ASP 93 -1.788 1.555 -11.840 689 1HB ASP 93 1HB ASP 93 -1.373 3.182 -14.365 690 2HB ASP 93 2HB ASP 93 -0.608 3.441 -12.805 691 H LEU 94 HN LEU 94 -2.485 3.604 -10.990 692 HA LEU 94 HA LEU 94 -4.751 4.998 -12.285 693 1HB LEU 94 2HB LEU 94 -5.828 3.127 -11.184 694 2HB LEU 94 1HB LEU 94 -4.953 3.434 -9.685 695 HG LEU 94 HG LEU 94 -6.157 5.565 -9.381 696 1HD1 LEU 94 3HD23 LEU 94 -7.500 4.783 -12.006 697 2HD1 LEU 94 2HD22 LEU 94 -8.145 6.015 -10.902 698 3HD1 LEU 94 1HD21 LEU 94 -6.579 6.266 -11.670 699 1HD2 LEU 94 1HD11 LEU 94 -7.042 3.384 -8.514 700 2HD2 LEU 94 3HD13 LEU 94 -8.294 4.590 -8.804 701 3HD2 LEU 94 2HD12 LEU 94 -8.071 3.269 -9.959 702 H VAL 95 HN VAL 95 -4.046 7.053 -12.155 703 HA VAL 95 HA VAL 95 -2.428 8.011 -9.902 704 HB VAL 95 HB VAL 95 -2.310 10.082 -11.204 705 1HG1 VAL 95 1HG11 VAL 95 -0.628 8.372 -11.593 706 2HG1 VAL 95 3HG13 VAL 95 -1.641 7.600 -12.834 707 3HG1 VAL 95 2HG12 VAL 95 -0.992 9.231 -13.093 708 1HG2 VAL 95 3HG23 VAL 95 -4.535 9.996 -12.330 709 2HG2 VAL 95 1HG21 VAL 95 -3.198 10.269 -13.454 710 3HG2 VAL 95 2HG22 VAL 95 -3.949 8.669 -13.357 711 H GLY 96 HN GLY 96 -3.024 10.099 -8.838 712 1HA GLY 96 1HA GLY 96 -4.474 11.650 -7.953 713 2HA GLY 96 2HA GLY 96 -5.800 11.017 -8.953 714 H ALA 97 HN ALA 97 -6.624 11.603 -6.594 715 HA ALA 97 HA ALA 97 -6.221 9.949 -4.386 716 1HB ALA 97 3HB ALA 97 -8.762 11.370 -5.341 717 2HB ALA 97 1HB ALA 97 -8.527 10.723 -3.710 718 3HB ALA 97 2HB ALA 97 -7.499 12.043 -4.293 719 H SER 98 HN SER 98 -8.712 9.691 -6.841 720 HA SER 98 HA SER 98 -10.278 8.095 -7.367 721 1HB SER 98 2HB SER 98 -7.571 6.859 -7.968 722 2HB SER 98 1HB SER 98 -9.055 6.767 -8.956 723 HG SER 98 HG SER 98 -7.259 8.466 -9.397 724 H GLN 99 HN GLN 99 -9.263 7.262 -4.449 725 HA GLN 99 HA GLN 99 -9.067 4.568 -4.221 726 1HB GLN 99 1HB GLN 99 -10.085 4.721 -2.020 727 2HB GLN 99 2HB GLN 99 -8.946 6.029 -2.317 728 1HG GLN 99 2HG GLN 99 -11.992 6.265 -2.401 729 2HG GLN 99 1HG GLN 99 -10.946 6.761 -1.079 730 1HE2 GLN 99 1HE21 GLN 99 -11.761 9.605 -3.591 731 2HE2 GLN 99 2HE22 GLN 99 -12.794 8.250 -3.148 732 H ASP 100 HN ASP 100 -12.171 6.280 -4.756 733 HA ASP 100 HA ASP 100 -13.899 4.082 -4.488 734 1HB ASP 100 2HB ASP 100 -14.061 6.532 -6.297 735 2HB ASP 100 1HB ASP 100 -15.377 5.370 -6.074 736 H LYS 101 HN LYS 101 -11.776 4.948 -7.222 737 HA LYS 101 HA LYS 101 -12.996 2.880 -8.948 738 1HB LYS 101 1HB LYS 101 -12.190 5.092 -9.805 739 2HB LYS 101 2HB LYS 101 -10.528 4.589 -9.447 740 1HG LYS 101 1HG LYS 101 -10.861 2.590 -10.934 741 2HG LYS 101 2HG LYS 101 -12.495 3.153 -11.306 742 1HD LYS 101 2HD LYS 101 -9.904 4.642 -11.928 743 2HD LYS 101 1HD LYS 101 -10.848 3.684 -13.074 744 1HE LYS 101 1HE LYS 101 -12.804 5.229 -12.697 745 2HE LYS 101 2HE LYS 101 -11.760 6.249 -11.687 746 1HZ LYS 101 3HZ LYS 101 -10.330 6.553 -13.563 747 2HZ LYS 101 1HZ LYS 101 -11.303 5.615 -14.509 748 3HZ LYS 101 2HZ LYS 101 -11.865 7.043 -13.908 749 H LEU 102 HN LEU 102 -10.079 3.495 -6.974 750 HA LEU 102 HA LEU 102 -8.466 1.337 -7.584 751 1HB LEU 102 2HB LEU 102 -8.071 3.122 -5.761 752 2HB LEU 102 1HB LEU 102 -9.127 2.170 -4.732 753 HG LEU 102 HG LEU 102 -7.592 0.209 -4.987 754 1HD1 LEU 102 2HD22 LEU 102 -5.867 2.334 -6.325 755 2HD1 LEU 102 1HD21 LEU 102 -5.200 0.864 -5.600 756 3HD1 LEU 102 3HD23 LEU 102 -6.297 0.740 -6.984 757 1HD2 LEU 102 1HD11 LEU 102 -7.621 1.837 -3.049 758 2HD2 LEU 102 3HD13 LEU 102 -6.085 1.013 -3.353 759 3HD2 LEU 102 2HD12 LEU 102 -6.308 2.716 -3.858 760 H LYS 103 HN LYS 103 -11.176 1.373 -5.260 761 HA LYS 103 HA LYS 103 -11.316 -1.207 -4.330 762 1HB LYS 103 1HB LYS 103 -13.581 0.552 -5.363 763 2HB LYS 103 2HB LYS 103 -13.803 -0.925 -4.431 764 1HG LYS 103 1HG LYS 103 -12.671 0.030 -2.496 765 2HG LYS 103 2HG LYS 103 -12.247 1.471 -3.403 766 1HD LYS 103 1HD LYS 103 -14.148 1.978 -2.003 767 2HD LYS 103 2HD LYS 103 -14.641 2.028 -3.698 768 1HE LYS 103 2HE LYS 103 -16.334 0.948 -2.266 769 2HE LYS 103 1HE LYS 103 -15.739 -0.155 -3.508 770 1HZ LYS 103 2HZ LYS 103 -14.848 -0.097 -0.704 771 2HZ LYS 103 1HZ LYS 103 -15.897 -1.187 -1.358 772 3HZ LYS 103 3HZ LYS 103 -14.330 -1.155 -1.857 773 H ALA 104 HN ALA 104 -12.636 -0.114 -7.459 774 HA ALA 104 HA ALA 104 -13.657 -2.696 -8.252 775 1HB ALA 104 2HB ALA 104 -14.620 -0.554 -9.041 776 2HB ALA 104 1HB ALA 104 -13.109 -0.183 -9.900 777 3HB ALA 104 3HB ALA 104 -14.088 -1.578 -10.389 778 H LEU 105 HN LEU 105 -10.679 -0.792 -8.991 779 HA LEU 105 HA LEU 105 -9.678 -2.647 -10.953 780 1HB LEU 105 1HB LEU 105 -8.124 -0.855 -9.029 781 2HB LEU 105 2HB LEU 105 -7.446 -1.745 -10.389 782 HG LEU 105 HG LEU 105 -9.409 0.573 -10.509 783 1HD1 LEU 105 3HD13 LEU 105 -7.001 1.086 -10.140 784 2HD1 LEU 105 1HD11 LEU 105 -6.587 0.177 -11.607 785 3HD1 LEU 105 2HD12 LEU 105 -7.569 1.649 -11.730 786 1HD2 LEU 105 2HD22 LEU 105 -8.435 -1.226 -12.772 787 2HD2 LEU 105 3HD23 LEU 105 -10.122 -0.918 -12.292 788 3HD2 LEU 105 1HD21 LEU 105 -9.163 0.374 -13.013 789 H VAL 106 HN VAL 106 -9.141 -2.481 -7.390 790 HA VAL 106 HA VAL 106 -7.504 -4.810 -7.302 791 HB VAL 106 HB VAL 106 -9.407 -3.772 -5.152 792 1HG1 VAL 106 1HG21 VAL 106 -6.943 -5.584 -4.991 793 2HG1 VAL 106 3HG23 VAL 106 -7.876 -4.979 -3.609 794 3HG1 VAL 106 2HG22 VAL 106 -8.610 -6.124 -4.738 795 1HG2 VAL 106 2HG12 VAL 106 -6.459 -3.247 -5.712 796 2HG2 VAL 106 1HG11 VAL 106 -7.754 -2.056 -5.818 797 3HG2 VAL 106 3HG13 VAL 106 -7.325 -2.730 -4.243 798 H ALA 107 HN ALA 107 -11.035 -4.455 -6.958 799 HA ALA 107 HA ALA 107 -11.724 -7.145 -6.600 800 1HB ALA 107 1HB ALA 107 -13.382 -5.259 -6.586 801 2HB ALA 107 2HB ALA 107 -13.284 -5.186 -8.352 802 3HB ALA 107 3HB ALA 107 -13.899 -6.641 -7.563 803 H LYS 108 HN LYS 108 -11.387 -5.451 -9.740 804 HA LYS 108 HA LYS 108 -11.783 -7.639 -11.479 805 1HB LYS 108 2HB LYS 108 -11.777 -5.354 -12.228 806 2HB LYS 108 1HB LYS 108 -10.124 -5.088 -11.677 807 1HG LYS 108 2HG LYS 108 -9.329 -6.775 -13.401 808 2HG LYS 108 1HG LYS 108 -10.983 -6.796 -14.031 809 1HD LYS 108 2HD LYS 108 -9.096 -4.396 -13.804 810 2HD LYS 108 1HD LYS 108 -9.491 -5.281 -15.283 811 1HE LYS 108 1HE LYS 108 -11.892 -4.574 -15.024 812 2HE LYS 108 2HE LYS 108 -11.423 -3.596 -13.617 813 1HZ LYS 108 1HZ LYS 108 -9.955 -2.364 -15.024 814 2HZ LYS 108 3HZ LYS 108 -10.397 -3.254 -16.339 815 3HZ LYS 108 2HZ LYS 108 -11.502 -2.293 -15.584 816 H HIS 109 HN HIS 109 -8.659 -6.235 -10.408 817 HA HIS 109 HA HIS 109 -7.078 -8.278 -11.627 818 1HB HIS 109 1HB HIS 109 -6.529 -6.106 -9.574 819 2HB HIS 109 2HB HIS 109 -5.286 -7.233 -10.112 820 HD2 HIS 109 HD2 HIS 109 -7.363 -4.261 -11.640 821 HE1 HIS 109 HE1 HIS 109 -4.575 -5.583 -14.509 822 HE2 HIS 109 HE2 HIS 109 -6.264 -3.744 -13.932 823 H ALA 110 HN ALA 110 -8.709 -8.271 -8.502 824 HA ALA 110 HA ALA 110 -7.104 -10.467 -7.452 825 1HB ALA 110 1HB ALA 110 -8.220 -8.826 -5.971 826 2HB ALA 110 2HB ALA 110 -9.806 -9.344 -6.590 827 3HB ALA 110 3HB ALA 110 -8.797 -10.472 -5.661 828 H ALA 111 HN ALA 111 -9.429 -10.435 -9.970 829 HA ALA 111 HA ALA 111 -10.703 -12.962 -9.241 830 1HB ALA 111 2HB ALA 111 -11.802 -11.199 -10.606 831 2HB ALA 111 3HB ALA 111 -10.610 -11.473 -11.896 832 3HB ALA 111 1HB ALA 111 -11.736 -12.767 -11.435 833 H ALA 112 HN ALA 112 -8.008 -13.478 -8.937 834 HA ALA 112 HA ALA 112 -7.542 -15.717 -10.607 835 1HB ALA 112 2HB ALA 112 -5.796 -13.253 -11.105 836 2HB ALA 112 1HB ALA 112 -5.415 -14.903 -11.639 837 3HB ALA 112 3HB ALA 112 -6.822 -14.064 -12.312 No H/Q in entry = 837 Start of MODEL 20 1 1H GLY 1 2HN GLY 1 -1.642 -8.935 2.250 2 2H GLY 1 1HN GLY 1 -2.819 -9.921 1.655 3 3H GLY 1 3HN GLY 1 -2.953 -9.399 3.173 4 1HA GLY 1 1HA GLY 1 -2.300 -11.622 3.333 5 2HA GLY 1 2HA GLY 1 -1.015 -11.334 2.144 6 H GLY 2 HN GLY 2 -2.153 -10.046 5.345 7 1HA GLY 2 1HA GLY 2 -0.932 -9.541 7.239 8 2HA GLY 2 2HA GLY 2 0.525 -10.237 6.499 9 H SER 3 HN SER 3 1.185 -8.899 4.390 10 HA SER 3 HA SER 3 1.974 -6.303 5.086 11 1HB SER 3 2HB SER 3 1.631 -7.523 2.326 12 2HB SER 3 1HB SER 3 2.744 -6.215 2.779 13 HG SER 3 HG SER 3 3.993 -7.700 3.820 14 H VAL 4 HN VAL 4 0.109 -5.093 5.767 15 HA VAL 4 HA VAL 4 -1.215 -3.713 3.524 16 HB VAL 4 HB VAL 4 -3.099 -3.429 5.094 17 1HG1 VAL 4 3HG13 VAL 4 -3.162 -5.283 3.332 18 2HG1 VAL 4 1HG11 VAL 4 -2.657 -6.411 4.597 19 3HG1 VAL 4 2HG12 VAL 4 -4.206 -5.568 4.729 20 1HG2 VAL 4 1HG21 VAL 4 -2.017 -3.836 7.211 21 2HG2 VAL 4 3HG23 VAL 4 -3.516 -4.758 6.981 22 3HG2 VAL 4 2HG22 VAL 4 -1.950 -5.575 6.824 23 H ILE 5 HN ILE 5 1.289 -3.262 4.930 24 HA ILE 5 HA ILE 5 0.759 -1.034 6.813 25 HB ILE 5 HB ILE 5 3.207 -1.415 7.397 26 1HG1 ILE 5 2HG12 ILE 5 4.265 -3.485 6.833 27 2HG1 ILE 5 1HG11 ILE 5 2.939 -4.008 5.802 28 1HG2 ILE 5 3HG23 ILE 5 1.317 -2.328 8.691 29 2HG2 ILE 5 2HG22 ILE 5 1.312 -3.785 7.676 30 3HG2 ILE 5 1HG21 ILE 5 2.712 -3.416 8.700 31 1HD1 ILE 5 1HD11 ILE 5 4.667 -1.553 5.255 32 2HD1 ILE 5 3HD13 ILE 5 4.985 -3.171 4.601 33 3HD1 ILE 5 2HD12 ILE 5 3.508 -2.325 4.137 34 H VAL 6 HN VAL 6 2.610 0.546 6.961 35 HA VAL 6 HA VAL 6 2.952 1.952 4.393 36 HB VAL 6 HB VAL 6 3.000 3.066 7.233 37 1HG1 VAL 6 3HG23 VAL 6 2.813 4.438 4.514 38 2HG1 VAL 6 1HG21 VAL 6 2.753 5.253 6.091 39 3HG1 VAL 6 2HG22 VAL 6 4.232 4.428 5.581 40 1HG2 VAL 6 2HG12 VAL 6 0.697 2.262 6.760 41 2HG2 VAL 6 1HG11 VAL 6 0.800 4.022 6.867 42 3HG2 VAL 6 3HG13 VAL 6 0.692 3.249 5.283 43 H ILE 7 HN ILE 7 5.082 2.017 3.659 44 HA ILE 7 HA ILE 7 7.203 2.446 5.563 45 HB ILE 7 HB ILE 7 6.848 -0.020 5.850 46 1HG1 ILE 7 2HG12 ILE 7 9.512 0.528 4.486 47 2HG1 ILE 7 1HG11 ILE 7 9.090 1.148 6.092 48 1HG2 ILE 7 3HG23 ILE 7 6.130 -0.425 3.419 49 2HG2 ILE 7 2HG22 ILE 7 7.854 -0.342 3.000 50 3HG2 ILE 7 1HG21 ILE 7 7.262 -1.596 4.097 51 1HD1 ILE 7 3HD13 ILE 7 8.720 -1.149 6.910 52 2HD1 ILE 7 2HD12 ILE 7 9.183 -1.795 5.321 53 3HD1 ILE 7 1HD11 ILE 7 10.367 -0.910 6.295 54 H ASP 8 HN ASP 8 9.219 2.942 4.516 55 HA ASP 8 HA ASP 8 8.964 4.068 1.819 56 1HB ASP 8 2HB ASP 8 11.267 4.882 2.349 57 2HB ASP 8 1HB ASP 8 10.128 5.315 3.620 58 H SER 9 HN SER 9 8.373 2.035 1.177 59 HA SER 9 HA SER 9 9.577 -0.387 1.197 60 1HB SER 9 2HB SER 9 7.951 0.791 -1.088 61 2HB SER 9 1HB SER 9 8.090 -0.916 -0.617 62 HG SER 9 HG SER 9 6.931 1.094 1.042 63 H LYS 10 HN LYS 10 11.936 0.427 0.945 64 HA LYS 10 HA LYS 10 12.860 0.031 -1.856 65 1HB LYS 10 1HB LYS 10 13.767 1.732 -0.506 66 2HB LYS 10 2HB LYS 10 14.386 0.609 0.720 67 1HG LYS 10 1HG LYS 10 15.860 -0.417 -1.068 68 2HG LYS 10 2HG LYS 10 15.181 0.733 -2.238 69 1HD LYS 10 2HD LYS 10 16.054 2.628 -0.881 70 2HD LYS 10 1HD LYS 10 16.687 1.489 0.315 71 1HE LYS 10 2HE LYS 10 18.497 2.234 -1.137 72 2HE LYS 10 1HE LYS 10 18.204 0.507 -1.392 73 1HZ LYS 10 2HZ LYS 10 17.211 2.683 -3.104 74 2HZ LYS 10 3HZ LYS 10 18.493 1.703 -3.438 75 3HZ LYS 10 1HZ LYS 10 16.976 1.071 -3.361 76 H ALA 11 HN ALA 11 14.629 -1.420 0.847 77 HA ALA 11 HA ALA 11 14.809 -3.961 -0.408 78 1HB ALA 11 2HB ALA 11 14.991 -3.263 2.563 79 2HB ALA 11 3HB ALA 11 15.567 -4.762 1.806 80 3HB ALA 11 1HB ALA 11 16.329 -3.214 1.391 81 H ALA 12 HN ALA 12 12.526 -2.643 1.956 82 HA ALA 12 HA ALA 12 11.008 -4.974 2.467 83 1HB ALA 12 1HB ALA 12 10.189 -2.045 2.500 84 2HB ALA 12 2HB ALA 12 9.253 -3.382 3.196 85 3HB ALA 12 3HB ALA 12 10.853 -2.980 3.851 86 H TRP 13 HN TRP 13 11.022 -2.825 -0.389 87 HA TRP 13 HA TRP 13 8.392 -3.591 -1.370 88 1HB TRP 13 2HB TRP 13 9.046 -1.684 -2.324 89 2HB TRP 13 1HB TRP 13 10.747 -2.004 -2.362 90 HD1 TRP 13 HD1 TRP 13 11.420 -3.821 -4.495 91 HE1 TRP 13 HE1 TRP 13 10.772 -3.414 -6.943 92 HE3 TRP 13 HE3 TRP 13 7.485 -0.651 -3.759 93 HZ2 TRP 13 HZ2 TRP 13 8.955 -1.759 -8.381 94 HZ3 TRP 13 HZ3 TRP 13 6.526 0.546 -5.654 95 HH2 TRP 13 HH2 TRP 13 7.210 -0.007 -7.996 96 H ASP 14 HN ASP 14 11.760 -4.634 -1.986 97 HA ASP 14 HA ASP 14 11.132 -6.754 -3.783 98 1HB ASP 14 2HB ASP 14 13.446 -6.562 -1.798 99 2HB ASP 14 1HB ASP 14 13.342 -7.660 -3.175 100 H ALA 15 HN ALA 15 11.609 -6.737 -0.265 101 HA ALA 15 HA ALA 15 11.129 -9.466 0.225 102 1HB ALA 15 1HB ALA 15 12.003 -7.805 1.888 103 2HB ALA 15 3HB ALA 15 10.355 -7.156 2.055 104 3HB ALA 15 2HB ALA 15 10.706 -8.828 2.529 105 H GLN 16 HN GLN 16 8.769 -6.800 0.186 106 HA GLN 16 HA GLN 16 6.458 -8.368 0.840 107 1HB GLN 16 2HB GLN 16 6.981 -5.607 -0.109 108 2HB GLN 16 1HB GLN 16 5.517 -6.304 -0.766 109 1HG GLN 16 2HG GLN 16 5.117 -5.083 1.341 110 2HG GLN 16 1HG GLN 16 4.569 -6.762 1.329 111 1HE2 GLN 16 1HE21 GLN 16 7.960 -6.126 3.602 112 2HE2 GLN 16 2HE22 GLN 16 7.930 -5.548 1.941 113 H LEU 17 HN LEU 17 7.719 -7.253 -2.363 114 HA LEU 17 HA LEU 17 5.860 -8.552 -4.001 115 1HB LEU 17 2HB LEU 17 8.824 -7.948 -4.280 116 2HB LEU 17 1HB LEU 17 7.952 -8.753 -5.570 117 HG LEU 17 HG LEU 17 6.963 -6.115 -4.446 118 1HD1 LEU 17 1HD21 LEU 17 8.943 -6.544 -6.728 119 2HD1 LEU 17 2HD22 LEU 17 8.176 -5.003 -6.287 120 3HD1 LEU 17 3HD23 LEU 17 9.301 -5.786 -5.163 121 1HD2 LEU 17 1HD11 LEU 17 5.413 -7.434 -5.933 122 2HD2 LEU 17 3HD13 LEU 17 5.930 -5.913 -6.674 123 3HD2 LEU 17 2HD12 LEU 17 6.660 -7.446 -7.188 124 H ALA 18 HN ALA 18 8.976 -9.870 -2.795 125 HA ALA 18 HA ALA 18 8.717 -12.441 -3.876 126 1HB ALA 18 3HB ALA 18 10.779 -11.538 -2.907 127 2HB ALA 18 1HB ALA 18 10.066 -11.562 -1.283 128 3HB ALA 18 2HB ALA 18 10.359 -13.088 -2.148 129 H LYS 19 HN LYS 19 7.917 -11.551 -0.414 130 HA LYS 19 HA LYS 19 6.831 -14.137 0.121 131 1HB LYS 19 1HB LYS 19 5.969 -13.230 2.147 132 2HB LYS 19 2HB LYS 19 7.556 -12.507 1.853 133 1HG LYS 19 2HG LYS 19 6.438 -10.459 1.076 134 2HG LYS 19 1HG LYS 19 4.853 -11.186 1.267 135 1HD LYS 19 1HD LYS 19 5.220 -9.761 3.150 136 2HD LYS 19 2HD LYS 19 5.158 -11.442 3.677 137 1HE LYS 19 1HE LYS 19 6.914 -10.183 4.853 138 2HE LYS 19 2HE LYS 19 7.627 -11.488 3.897 139 1HZ LYS 19 1HZ LYS 19 7.466 -8.661 3.105 140 2HZ LYS 19 2HZ LYS 19 8.815 -9.434 3.660 141 3HZ LYS 19 3HZ LYS 19 8.151 -9.873 2.214 142 H GLY 20 HN GLY 20 5.418 -11.279 -1.389 143 1HA GLY 20 1HA GLY 20 2.695 -11.844 -1.122 144 2HA GLY 20 2HA GLY 20 3.464 -10.928 -2.437 145 H LYS 21 HN LYS 21 5.100 -13.371 -3.277 146 HA LYS 21 HA LYS 21 4.879 -14.860 -5.014 147 1HB LYS 21 1HB LYS 21 2.546 -15.825 -3.293 148 2HB LYS 21 2HB LYS 21 3.322 -16.738 -4.597 149 1HG LYS 21 1HG LYS 21 5.488 -16.655 -3.392 150 2HG LYS 21 2HG LYS 21 4.727 -15.741 -2.080 151 1HD LYS 21 1HD LYS 21 3.150 -17.618 -1.675 152 2HD LYS 21 2HD LYS 21 3.950 -18.560 -2.954 153 1HE LYS 21 1HE LYS 21 6.097 -18.434 -1.685 154 2HE LYS 21 2HE LYS 21 5.288 -17.494 -0.416 155 1HZ LYS 21 1HZ LYS 21 3.858 -19.363 -0.025 156 2HZ LYS 21 3HZ LYS 21 4.607 -20.240 -1.204 157 3HZ LYS 21 2HZ LYS 21 5.439 -19.796 0.148 158 H GLU 22 HN GLU 22 4.191 -12.668 -5.836 159 HA GLU 22 HA GLU 22 1.852 -11.568 -6.478 160 1HB GLU 22 2HB GLU 22 4.083 -11.893 -8.490 161 2HB GLU 22 1HB GLU 22 2.965 -10.526 -8.311 162 1HG GLU 22 2HG GLU 22 4.751 -9.591 -7.458 163 2HG GLU 22 1HG GLU 22 4.198 -10.310 -5.935 164 H GLU 23 HN GLU 23 2.996 -14.461 -8.048 165 HA GLU 23 HA GLU 23 2.368 -14.945 -10.465 166 1HB GLU 23 2HB GLU 23 2.690 -16.688 -8.770 167 2HB GLU 23 1HB GLU 23 1.048 -16.493 -8.175 168 1HG GLU 23 1HG GLU 23 0.184 -17.227 -10.424 169 2HG GLU 23 2HG GLU 23 1.857 -17.406 -10.977 170 H HIS 24 HN HIS 24 -0.481 -15.193 -8.363 171 HA HIS 24 HA HIS 24 -1.950 -13.330 -10.077 172 1HB HIS 24 1HB HIS 24 -2.483 -15.578 -11.063 173 2HB HIS 24 2HB HIS 24 -3.208 -16.042 -9.512 174 HD2 HIS 24 HD2 HIS 24 -5.456 -14.401 -8.764 175 HE1 HIS 24 HE1 HIS 24 -5.737 -12.358 -12.454 176 HE2 HIS 24 HE2 HIS 24 -6.768 -12.591 -10.132 177 H LYS 25 HN LYS 25 -1.198 -12.251 -8.095 178 HA LYS 25 HA LYS 25 -3.582 -11.871 -6.545 179 1HB LYS 25 1HB LYS 25 -2.341 -12.054 -4.310 180 2HB LYS 25 2HB LYS 25 -2.998 -13.484 -5.091 181 1HG LYS 25 2HG LYS 25 -0.602 -13.930 -5.994 182 2HG LYS 25 1HG LYS 25 -0.082 -12.635 -4.921 183 1HD LYS 25 1HD LYS 25 0.201 -14.849 -3.903 184 2HD LYS 25 2HD LYS 25 -0.920 -13.856 -2.967 185 1HE LYS 25 2HE LYS 25 -1.529 -16.313 -3.277 186 2HE LYS 25 1HE LYS 25 -2.808 -15.172 -3.685 187 1HZ LYS 25 1HZ LYS 25 -0.989 -16.419 -5.631 188 2HZ LYS 25 3HZ LYS 25 -2.529 -16.919 -5.316 189 3HZ LYS 25 2HZ LYS 25 -2.272 -15.437 -5.981 190 HA PRO 26 HA PRO 26 -1.520 -8.112 -7.527 191 1HB PRO 26 2HB PRO 26 -3.285 -6.257 -6.533 192 2HB PRO 26 1HB PRO 26 -3.604 -7.229 -7.986 193 1HG PRO 26 1HG PRO 26 -4.447 -7.816 -5.161 194 2HG PRO 26 2HG PRO 26 -5.534 -7.778 -6.546 195 1HD PRO 26 2HD PRO 26 -4.505 -10.088 -5.598 196 2HD PRO 26 1HD PRO 26 -4.531 -9.842 -7.374 197 H ILE 27 HN ILE 27 0.069 -7.003 -6.744 198 HA ILE 27 HA ILE 27 0.391 -6.480 -3.824 199 HB ILE 27 HB ILE 27 2.338 -6.646 -6.159 200 1HG1 ILE 27 2HG12 ILE 27 3.604 -8.125 -4.717 201 2HG1 ILE 27 1HG11 ILE 27 2.496 -7.886 -3.375 202 1HG2 ILE 27 2HG22 ILE 27 2.762 -5.364 -3.426 203 2HG2 ILE 27 3HG23 ILE 27 4.079 -5.829 -4.517 204 3HG2 ILE 27 1HG21 ILE 27 2.940 -4.583 -5.012 205 1HD1 ILE 27 2HD12 ILE 27 1.740 -9.161 -6.037 206 2HD1 ILE 27 3HD13 ILE 27 2.254 -10.064 -4.593 207 3HD1 ILE 27 1HD11 ILE 27 0.758 -9.138 -4.546 208 H VAL 28 HN VAL 28 -0.734 -4.555 -3.502 209 HA VAL 28 HA VAL 28 -1.017 -2.668 -5.772 210 HB VAL 28 HB VAL 28 -2.704 -2.741 -3.248 211 1HG1 VAL 28 1HG11 VAL 28 -3.081 -1.616 -6.080 212 2HG1 VAL 28 2HG12 VAL 28 -4.287 -1.542 -4.793 213 3HG1 VAL 28 3HG13 VAL 28 -2.754 -0.655 -4.629 214 1HG2 VAL 28 3HG23 VAL 28 -2.953 -4.944 -4.371 215 2HG2 VAL 28 1HG21 VAL 28 -4.404 -3.955 -4.503 216 3HG2 VAL 28 2HG22 VAL 28 -3.311 -4.096 -5.896 217 H VAL 29 HN VAL 29 0.220 -0.950 -5.648 218 HA VAL 29 HA VAL 29 1.508 -0.184 -3.089 219 HB VAL 29 HB VAL 29 2.430 0.100 -5.961 220 1HG1 VAL 29 1HG11 VAL 29 3.280 1.882 -4.446 221 2HG1 VAL 29 3HG13 VAL 29 3.824 0.637 -3.302 222 3HG1 VAL 29 2HG12 VAL 29 4.540 0.753 -4.926 223 1HG2 VAL 29 3HG23 VAL 29 3.138 -1.847 -3.727 224 2HG2 VAL 29 2HG22 VAL 29 2.408 -2.239 -5.290 225 3HG2 VAL 29 1HG21 VAL 29 4.079 -1.656 -5.223 226 H ASP 30 HN ASP 30 0.396 1.447 -2.265 227 HA ASP 30 HA ASP 30 -0.729 3.654 -3.863 228 1HB ASP 30 2HB ASP 30 -1.955 2.764 -1.955 229 2HB ASP 30 1HB ASP 30 -0.617 3.092 -0.874 230 H PHE 31 HN PHE 31 1.012 4.693 -4.752 231 HA PHE 31 HA PHE 31 3.290 5.605 -3.103 232 1HB PHE 31 2HB PHE 31 2.443 6.099 -5.985 233 2HB PHE 31 1HB PHE 31 3.773 6.914 -5.217 234 HD1 PHE 31 HD2 PHE 31 5.880 5.782 -4.680 235 HD2 PHE 31 HD1 PHE 31 2.626 3.675 -6.580 236 HE1 PHE 31 HE2 PHE 31 7.471 4.094 -5.539 237 HE2 PHE 31 HE1 PHE 31 4.263 2.081 -7.568 238 HZ PHE 31 HZ PHE 31 6.687 2.356 -7.133 239 H THR 32 HN THR 32 3.074 7.429 -1.871 240 HA THR 32 HA THR 32 1.334 9.623 -2.735 241 HB THR 32 HB THR 32 -0.204 8.208 -1.456 242 HG1 THR 32 HG1 THR 32 -0.845 9.819 -0.089 243 1HG2 THR 32 3HG23 THR 32 1.410 6.968 -0.033 244 2HG2 THR 32 1HG21 THR 32 1.784 8.461 0.857 245 3HG2 THR 32 2HG22 THR 32 0.160 7.753 0.940 246 H ALA 33 HN ALA 33 1.732 11.480 -1.014 247 HA ALA 33 HA ALA 33 4.658 11.449 -0.296 248 1HB ALA 33 1HB ALA 33 3.066 13.731 -1.503 249 2HB ALA 33 2HB ALA 33 4.718 13.833 -0.862 250 3HB ALA 33 3HB ALA 33 4.381 12.814 -2.273 251 H THR 34 HN THR 34 4.822 11.499 1.865 252 HA THR 34 HA THR 34 2.831 11.727 3.746 253 HB THR 34 HB THR 34 4.907 12.561 5.199 254 HG1 THR 34 HG1 THR 34 6.687 11.571 3.519 255 1HG2 THR 34 2HG22 THR 34 4.787 9.914 3.702 256 2HG2 THR 34 1HG21 THR 34 5.822 10.240 5.119 257 3HG2 THR 34 3HG23 THR 34 4.056 10.303 5.269 258 H TRP 35 HN TRP 35 5.047 14.376 2.868 259 HA TRP 35 HA TRP 35 3.847 16.356 4.492 260 1HB TRP 35 1HB TRP 35 5.012 17.962 2.950 261 2HB TRP 35 2HB TRP 35 6.017 16.711 3.668 262 HD1 TRP 35 HD1 TRP 35 7.275 15.077 2.117 263 HE1 TRP 35 HE1 TRP 35 7.815 15.102 -0.393 264 HE3 TRP 35 HE3 TRP 35 3.704 18.404 0.533 265 HZ2 TRP 35 HZ2 TRP 35 6.705 16.232 -2.793 266 HZ3 TRP 35 HZ3 TRP 35 3.447 18.894 -1.877 267 HH2 TRP 35 HH2 TRP 35 4.949 17.835 -3.546 268 H CYS 36 HN CYS 36 2.739 15.137 1.345 269 HA CYS 36 HA CYS 36 1.009 17.495 0.875 270 1HB CYS 36 1HB CYS 36 1.825 16.422 -1.109 271 2HB CYS 36 2HB CYS 36 1.321 14.839 -0.522 272 H GLY 37 HN GLY 37 0.080 17.394 3.005 273 1HA GLY 37 1HA GLY 37 -1.237 15.610 4.439 274 2HA GLY 37 2HA GLY 37 -2.006 17.166 4.094 275 HA PRO 38 HA PRO 38 -5.310 15.386 1.769 276 1HB PRO 38 1HB PRO 38 -4.137 16.339 -0.857 277 2HB PRO 38 2HB PRO 38 -5.824 16.472 -0.284 278 1HG PRO 38 2HG PRO 38 -4.193 18.625 -0.118 279 2HG PRO 38 1HG PRO 38 -5.204 18.190 1.293 280 1HD PRO 38 2HD PRO 38 -2.280 17.563 0.832 281 2HD PRO 38 1HD PRO 38 -3.072 18.204 2.300 282 H CYS 39 HN CYS 39 -2.160 14.785 0.248 283 HA CYS 39 HA CYS 39 -2.992 12.444 -1.266 284 1HB CYS 39 1HB CYS 39 -0.169 13.155 -0.404 285 2HB CYS 39 2HB CYS 39 -0.674 12.081 -1.685 286 H LYS 40 HN LYS 40 -1.363 13.154 1.838 287 HA LYS 40 HA LYS 40 -0.893 10.449 2.591 288 1HB LYS 40 1HB LYS 40 0.257 12.373 3.593 289 2HB LYS 40 2HB LYS 40 -1.259 12.922 4.327 290 1HG LYS 40 1HG LYS 40 -1.374 10.911 5.725 291 2HG LYS 40 2HG LYS 40 -0.014 10.191 4.862 292 1HD LYS 40 1HD LYS 40 0.625 11.086 7.088 293 2HD LYS 40 2HD LYS 40 1.542 11.801 5.759 294 1HE LYS 40 1HE LYS 40 0.869 13.472 7.462 295 2HE LYS 40 2HE LYS 40 0.266 13.848 5.849 296 1HZ LYS 40 2HZ LYS 40 -1.285 12.571 8.001 297 2HZ LYS 40 3HZ LYS 40 -1.402 14.148 7.537 298 3HZ LYS 40 1HZ LYS 40 -1.856 12.951 6.501 299 H MET 41 HN MET 41 -3.643 12.627 3.228 300 HA MET 41 HA MET 41 -5.096 10.880 4.950 301 1HB MET 41 1HB MET 41 -5.973 13.098 3.047 302 2HB MET 41 2HB MET 41 -7.113 12.252 4.091 303 1HG MET 41 1HG MET 41 -4.702 13.843 5.040 304 2HG MET 41 2HG MET 41 -6.385 14.352 5.108 305 1HE MET 41 2HE MET 41 -8.212 12.973 6.485 306 2HE MET 41 1HE MET 41 -7.617 11.319 6.178 307 3HE MET 41 3HE MET 41 -7.810 11.899 7.845 308 H ILE 42 HN ILE 42 -4.594 10.467 1.532 309 HA ILE 42 HA ILE 42 -6.961 8.751 1.226 310 HB ILE 42 HB ILE 42 -4.561 9.439 -0.490 311 1HG1 ILE 42 2HG12 ILE 42 -7.532 9.915 -0.962 312 2HG1 ILE 42 1HG11 ILE 42 -6.594 11.039 0.018 313 1HG2 ILE 42 3HG23 ILE 42 -6.856 7.530 -1.101 314 2HG2 ILE 42 1HG21 ILE 42 -5.728 8.177 -2.314 315 3HG2 ILE 42 2HG22 ILE 42 -5.122 7.140 -1.025 316 1HD1 ILE 42 2HD12 ILE 42 -5.942 10.377 -2.861 317 2HD1 ILE 42 1HD11 ILE 42 -6.775 11.829 -2.272 318 3HD1 ILE 42 3HD13 ILE 42 -5.092 11.532 -1.810 319 H ALA 43 HN ALA 43 -3.673 8.410 2.399 320 HA ALA 43 HA ALA 43 -3.224 5.674 1.948 321 1HB ALA 43 3HB ALA 43 -1.529 7.289 2.765 322 2HB ALA 43 2HB ALA 43 -2.303 7.297 4.361 323 3HB ALA 43 1HB ALA 43 -1.601 5.807 3.729 324 HA PRO 44 HA PRO 44 -5.328 4.552 6.138 325 1HB PRO 44 1HB PRO 44 -7.332 6.195 7.113 326 2HB PRO 44 2HB PRO 44 -5.627 6.243 7.644 327 1HG PRO 44 1HG PRO 44 -6.949 7.953 5.524 328 2HG PRO 44 2HG PRO 44 -5.936 8.505 6.894 329 1HD PRO 44 2HD PRO 44 -4.813 8.216 4.504 330 2HD PRO 44 1HD PRO 44 -3.961 7.558 5.917 331 H LEU 45 HN LEU 45 -7.182 6.439 3.756 332 HA LEU 45 HA LEU 45 -9.531 4.777 3.767 333 1HB LEU 45 2HB LEU 45 -8.301 6.827 1.972 334 2HB LEU 45 1HB LEU 45 -9.304 5.650 1.148 335 HG LEU 45 HG LEU 45 -10.421 7.785 1.896 336 1HD1 LEU 45 1HD11 LEU 45 -11.733 5.764 1.358 337 2HD1 LEU 45 3HD13 LEU 45 -11.637 5.234 3.049 338 3HD1 LEU 45 2HD12 LEU 45 -12.500 6.725 2.633 339 1HD2 LEU 45 1HD21 LEU 45 -9.295 7.988 4.109 340 2HD2 LEU 45 2HD22 LEU 45 -11.062 8.127 4.193 341 3HD2 LEU 45 3HD23 LEU 45 -10.275 6.636 4.718 342 H PHE 46 HN PHE 46 -6.607 4.657 1.675 343 HA PHE 46 HA PHE 46 -7.341 2.166 0.424 344 1HB PHE 46 2HB PHE 46 -5.656 3.600 -0.524 345 2HB PHE 46 1HB PHE 46 -4.700 3.555 0.941 346 HD1 PHE 46 HD2 PHE 46 -6.112 1.207 -1.684 347 HD2 PHE 46 HD1 PHE 46 -2.911 2.044 1.039 348 HE1 PHE 46 HE2 PHE 46 -4.632 -0.302 -2.963 349 HE2 PHE 46 HE1 PHE 46 -1.455 0.400 -0.152 350 HZ PHE 46 HZ PHE 46 -2.234 -0.635 -2.240 351 H GLU 47 HN GLU 47 -5.613 2.890 3.488 352 HA GLU 47 HA GLU 47 -4.874 0.234 4.132 353 1HB GLU 47 2HB GLU 47 -4.161 2.406 5.274 354 2HB GLU 47 1HB GLU 47 -5.695 2.318 6.168 355 1HG GLU 47 1HG GLU 47 -5.073 0.156 7.116 356 2HG GLU 47 2HG GLU 47 -3.593 0.111 6.145 357 H THR 48 HN THR 48 -7.953 2.002 4.529 358 HA THR 48 HA THR 48 -9.289 0.043 6.119 359 HB THR 48 HB THR 48 -10.557 1.894 4.048 360 HG1 THR 48 HG1 THR 48 -9.140 2.964 5.626 361 1HG2 THR 48 1HG21 THR 48 -11.625 0.716 6.635 362 2HG2 THR 48 3HG23 THR 48 -12.464 1.865 5.575 363 3HG2 THR 48 2HG22 THR 48 -12.106 0.228 4.990 364 H LEU 49 HN LEU 49 -9.027 0.471 2.537 365 HA LEU 49 HA LEU 49 -10.512 -1.877 1.859 366 1HB LEU 49 1HB LEU 49 -9.833 -0.001 0.294 367 2HB LEU 49 2HB LEU 49 -8.187 -0.655 0.304 368 HG LEU 49 HG LEU 49 -9.167 -2.790 -0.671 369 1HD1 LEU 49 1HD21 LEU 49 -11.645 -0.997 -0.742 370 2HD1 LEU 49 2HD22 LEU 49 -11.445 -2.420 -1.775 371 3HD1 LEU 49 3HD23 LEU 49 -11.506 -2.611 -0.013 372 1HD2 LEU 49 2HD12 LEU 49 -8.091 -1.014 -2.059 373 2HD2 LEU 49 1HD11 LEU 49 -9.423 -1.808 -2.917 374 3HD2 LEU 49 3HD13 LEU 49 -9.655 -0.196 -2.210 375 H SER 50 HN SER 50 -7.094 -1.291 2.605 376 HA SER 50 HA SER 50 -6.029 -3.863 2.073 377 1HB SER 50 2HB SER 50 -5.073 -2.124 4.341 378 2HB SER 50 1HB SER 50 -4.233 -3.295 3.333 379 HG SER 50 HG SER 50 -5.338 -1.008 2.134 380 H ASN 51 HN ASN 51 -7.390 -2.600 5.120 381 HA ASN 51 HA ASN 51 -7.218 -5.059 6.550 382 1HB ASN 51 1HB ASN 51 -7.619 -2.675 7.424 383 2HB ASN 51 2HB ASN 51 -9.313 -2.886 6.975 384 1HD2 ASN 51 1HD21 ASN 51 -9.286 -5.731 9.590 385 2HD2 ASN 51 2HD22 ASN 51 -9.344 -5.870 7.845 386 H ASP 52 HN ASP 52 -9.788 -3.626 4.484 387 HA ASP 52 HA ASP 52 -11.828 -5.476 5.009 388 1HB ASP 52 1HB ASP 52 -12.075 -3.351 3.669 389 2HB ASP 52 2HB ASP 52 -11.210 -4.128 2.337 390 H TYR 53 HN TYR 53 -9.201 -5.654 2.562 391 HA TYR 53 HA TYR 53 -10.202 -8.239 1.540 392 1HB TYR 53 1HB TYR 53 -7.972 -6.360 0.975 393 2HB TYR 53 2HB TYR 53 -7.823 -8.029 0.409 394 HD1 TYR 53 HD2 TYR 53 -10.145 -5.059 0.262 395 HD2 TYR 53 HD1 TYR 53 -8.767 -8.660 -1.665 396 HE1 TYR 53 HE2 TYR 53 -11.730 -4.668 -1.576 397 HE2 TYR 53 HE1 TYR 53 -10.224 -8.163 -3.578 398 HH TYR 53 HH TYR 53 -12.190 -7.093 -4.175 399 H ALA 54 HN ALA 54 -7.351 -7.106 3.373 400 HA ALA 54 HA ALA 54 -5.874 -8.058 4.742 401 1HB ALA 54 1HB ALA 54 -7.935 -8.500 6.029 402 2HB ALA 54 2HB ALA 54 -8.075 -10.104 5.282 403 3HB ALA 54 3HB ALA 54 -6.689 -9.724 6.318 404 H GLY 55 HN GLY 55 -7.385 -10.824 3.093 405 1HA GLY 55 1HA GLY 55 -5.147 -12.584 3.373 406 2HA GLY 55 2HA GLY 55 -6.619 -12.839 2.430 407 H LYS 56 HN LYS 56 -6.295 -13.138 0.309 408 HA LYS 56 HA LYS 56 -3.953 -13.550 -0.905 409 1HB LYS 56 2HB LYS 56 -6.310 -12.329 -2.405 410 2HB LYS 56 1HB LYS 56 -5.010 -13.351 -3.039 411 1HG LYS 56 2HG LYS 56 -5.901 -15.101 -1.264 412 2HG LYS 56 1HG LYS 56 -7.383 -14.132 -1.338 413 1HD LYS 56 1HD LYS 56 -5.954 -15.604 -3.592 414 2HD LYS 56 2HD LYS 56 -7.556 -15.946 -2.939 415 1HE LYS 56 2HE LYS 56 -6.751 -13.490 -4.590 416 2HE LYS 56 1HE LYS 56 -7.704 -14.865 -5.136 417 1HZ LYS 56 2HZ LYS 56 -9.392 -14.271 -3.562 418 2HZ LYS 56 1HZ LYS 56 -8.509 -12.975 -3.044 419 3HZ LYS 56 3HZ LYS 56 -9.063 -13.032 -4.599 420 H VAL 57 HN VAL 57 -5.501 -10.319 -0.973 421 HA VAL 57 HA VAL 57 -3.552 -9.282 -2.861 422 HB VAL 57 HB VAL 57 -5.621 -7.927 -1.097 423 1HG1 VAL 57 1HG11 VAL 57 -3.978 -6.847 -3.425 424 2HG1 VAL 57 2HG12 VAL 57 -5.437 -6.057 -2.807 425 3HG1 VAL 57 3HG13 VAL 57 -3.999 -6.249 -1.799 426 1HG2 VAL 57 1HG21 VAL 57 -5.815 -8.991 -3.911 427 2HG2 VAL 57 2HG22 VAL 57 -6.770 -9.443 -2.503 428 3HG2 VAL 57 3HG23 VAL 57 -6.963 -7.829 -3.202 429 H ILE 58 HN ILE 58 -1.754 -8.037 -2.459 430 HA ILE 58 HA ILE 58 -0.911 -7.658 0.411 431 HB ILE 58 HB ILE 58 0.596 -8.071 -2.178 432 1HG1 ILE 58 2HG12 ILE 58 1.989 -9.519 -0.745 433 2HG1 ILE 58 1HG11 ILE 58 0.996 -9.128 0.661 434 1HG2 ILE 58 1HG21 ILE 58 1.631 -6.590 0.275 435 2HG2 ILE 58 2HG22 ILE 58 2.678 -7.316 -0.956 436 3HG2 ILE 58 3HG23 ILE 58 1.585 -6.008 -1.396 437 1HD1 ILE 58 3HD13 ILE 58 -0.048 -10.500 -1.857 438 2HD1 ILE 58 2HD12 ILE 58 0.488 -11.347 -0.392 439 3HD1 ILE 58 1HD11 ILE 58 -0.916 -10.288 -0.316 440 H PHE 59 HN PHE 59 -0.976 -5.549 1.136 441 HA PHE 59 HA PHE 59 -1.365 -3.423 -0.939 442 1HB PHE 59 1HB PHE 59 -2.517 -3.519 1.858 443 2HB PHE 59 2HB PHE 59 -2.600 -2.155 0.768 444 HD1 PHE 59 HD2 PHE 59 -3.605 -5.768 1.108 445 HD2 PHE 59 HD1 PHE 59 -4.494 -1.909 -0.588 446 HE1 PHE 59 HE2 PHE 59 -5.850 -6.528 0.541 447 HE2 PHE 59 HE1 PHE 59 -6.666 -2.763 -1.402 448 HZ PHE 59 HZ PHE 59 -7.393 -5.047 -0.810 449 H LEU 60 HN LEU 60 -0.142 -1.691 -0.802 450 HA LEU 60 HA LEU 60 1.935 -1.628 1.336 451 1HB LEU 60 2HB LEU 60 2.005 -2.867 -1.205 452 2HB LEU 60 1HB LEU 60 2.767 -1.349 -1.525 453 HG LEU 60 HG LEU 60 3.430 -3.336 0.702 454 1HD1 LEU 60 2HD12 LEU 60 4.683 -2.856 -2.034 455 2HD1 LEU 60 3HD13 LEU 60 5.424 -3.854 -0.769 456 3HD1 LEU 60 1HD11 LEU 60 3.855 -4.320 -1.461 457 1HD2 LEU 60 3HD23 LEU 60 4.956 -0.894 -0.323 458 2HD2 LEU 60 1HD21 LEU 60 4.201 -1.035 1.280 459 3HD2 LEU 60 2HD22 LEU 60 5.590 -2.053 0.872 460 H LYS 61 HN LYS 61 2.046 0.426 2.137 461 HA LYS 61 HA LYS 61 1.331 2.715 0.311 462 1HB LYS 61 1HB LYS 61 1.209 2.321 3.289 463 2HB LYS 61 2HB LYS 61 1.130 3.930 2.552 464 1HG LYS 61 1HG LYS 61 -0.886 3.457 1.447 465 2HG LYS 61 2HG LYS 61 -0.691 1.707 1.612 466 1HD LYS 61 2HD LYS 61 -1.123 3.535 4.001 467 2HD LYS 61 1HD LYS 61 -2.467 2.844 3.112 468 1HE LYS 61 2HE LYS 61 -0.296 1.166 4.454 469 2HE LYS 61 1HE LYS 61 -1.869 1.538 5.142 470 1HZ LYS 61 1HZ LYS 61 -2.875 0.420 3.261 471 2HZ LYS 61 3HZ LYS 61 -1.383 0.030 2.676 472 3HZ LYS 61 2HZ LYS 61 -1.879 -0.566 4.129 473 H VAL 62 HN VAL 62 3.023 3.791 -0.510 474 HA VAL 62 HA VAL 62 5.620 3.717 0.975 475 HB VAL 62 HB VAL 62 5.765 2.176 -0.918 476 1HG1 VAL 62 3HG23 VAL 62 3.993 3.176 -2.349 477 2HG1 VAL 62 1HG21 VAL 62 5.127 4.514 -2.690 478 3HG1 VAL 62 2HG22 VAL 62 5.526 2.860 -3.189 479 1HG2 VAL 62 2HG12 VAL 62 7.784 3.580 -0.415 480 2HG2 VAL 62 3HG13 VAL 62 7.642 3.141 -2.130 481 3HG2 VAL 62 1HG11 VAL 62 7.228 4.774 -1.610 482 H ASP 63 HN ASP 63 6.638 5.558 1.284 483 HA ASP 63 HA ASP 63 5.249 8.032 0.557 484 1HB ASP 63 1HB ASP 63 6.099 7.761 2.830 485 2HB ASP 63 2HB ASP 63 7.753 7.599 2.215 486 H VAL 64 HN VAL 64 5.583 8.649 -1.448 487 HA VAL 64 HA VAL 64 7.676 8.229 -3.259 488 HB VAL 64 HB VAL 64 5.691 10.515 -2.854 489 1HG1 VAL 64 3HG13 VAL 64 7.505 10.049 -5.251 490 2HG1 VAL 64 1HG11 VAL 64 6.085 11.115 -5.241 491 3HG1 VAL 64 2HG12 VAL 64 7.464 11.482 -4.201 492 1HG2 VAL 64 1HG21 VAL 64 4.802 8.204 -3.395 493 2HG2 VAL 64 2HG22 VAL 64 4.418 9.432 -4.608 494 3HG2 VAL 64 3HG23 VAL 64 5.729 8.267 -4.903 495 H ASP 65 HN ASP 65 7.325 10.653 -0.651 496 HA ASP 65 HA ASP 65 9.479 12.339 -1.469 497 1HB ASP 65 1HB ASP 65 7.640 12.849 0.226 498 2HB ASP 65 2HB ASP 65 8.534 11.851 1.384 499 H ALA 66 HN ALA 66 9.358 9.281 0.340 500 HA ALA 66 HA ALA 66 12.127 9.566 1.318 501 1HB ALA 66 1HB ALA 66 10.433 8.534 2.765 502 2HB ALA 66 2HB ALA 66 10.132 7.267 1.560 503 3HB ALA 66 3HB ALA 66 11.719 7.386 2.349 504 H VAL 67 HN VAL 67 10.424 6.969 -0.569 505 HA VAL 67 HA VAL 67 13.075 6.307 -1.770 506 HB VAL 67 HB VAL 67 11.949 4.370 -2.729 507 1HG1 VAL 67 1HG11 VAL 67 11.840 4.659 0.276 508 2HG1 VAL 67 3HG13 VAL 67 11.830 3.125 -0.613 509 3HG1 VAL 67 2HG12 VAL 67 13.246 4.190 -0.694 510 1HG2 VAL 67 3HG23 VAL 67 9.569 5.184 -2.684 511 2HG2 VAL 67 2HG22 VAL 67 9.840 3.613 -1.914 512 3HG2 VAL 67 1HG21 VAL 67 9.618 5.067 -0.910 513 H ALA 68 HN ALA 68 12.727 8.636 -2.614 514 HA ALA 68 HA ALA 68 11.154 9.260 -4.831 515 1HB ALA 68 2HB ALA 68 14.085 9.971 -4.353 516 2HB ALA 68 1HB ALA 68 12.981 10.802 -5.468 517 3HB ALA 68 3HB ALA 68 12.673 10.849 -3.720 518 H ALA 69 HN ALA 69 14.176 7.392 -4.712 519 HA ALA 69 HA ALA 69 14.647 6.989 -7.457 520 1HB ALA 69 3HB ALA 69 16.253 6.420 -5.691 521 2HB ALA 69 1HB ALA 69 15.188 5.122 -5.106 522 3HB ALA 69 2HB ALA 69 15.924 5.011 -6.719 523 H VAL 70 HN VAL 70 12.670 5.000 -5.176 524 HA VAL 70 HA VAL 70 11.997 3.001 -7.162 525 HB VAL 70 HB VAL 70 10.625 3.710 -4.537 526 1HG1 VAL 70 1HG21 VAL 70 10.425 1.210 -6.275 527 2HG1 VAL 70 2HG22 VAL 70 9.715 1.413 -4.660 528 3HG1 VAL 70 3HG23 VAL 70 9.133 2.395 -6.009 529 1HG2 VAL 70 3HG13 VAL 70 13.021 2.988 -4.259 530 2HG2 VAL 70 2HG12 VAL 70 11.876 1.791 -3.630 531 3HG2 VAL 70 1HG11 VAL 70 12.660 1.531 -5.204 532 H ALA 71 HN ALA 71 10.414 5.884 -5.798 533 HA ALA 71 HA ALA 71 7.967 5.741 -7.159 534 1HB ALA 71 3HB ALA 71 8.478 7.310 -5.334 535 2HB ALA 71 2HB ALA 71 9.514 8.258 -6.418 536 3HB ALA 71 1HB ALA 71 7.776 8.134 -6.739 537 H GLU 72 HN GLU 72 10.933 7.563 -8.223 538 HA GLU 72 HA GLU 72 9.744 8.286 -10.742 539 1HB GLU 72 1HB GLU 72 11.850 9.211 -11.322 540 2HB GLU 72 2HB GLU 72 11.546 9.558 -9.616 541 1HG GLU 72 2HG GLU 72 13.055 7.569 -9.078 542 2HG GLU 72 1HG GLU 72 13.491 7.522 -10.789 543 H ALA 73 HN ALA 73 11.922 5.561 -9.770 544 HA ALA 73 HA ALA 73 12.373 4.568 -12.389 545 1HB ALA 73 3HB ALA 73 12.131 3.052 -9.748 546 2HB ALA 73 1HB ALA 73 12.831 2.418 -11.251 547 3HB ALA 73 2HB ALA 73 13.612 3.774 -10.421 548 H ALA 74 HN ALA 74 9.754 3.854 -10.036 549 HA ALA 74 HA ALA 74 8.328 2.009 -11.691 550 1HB ALA 74 3HB ALA 74 7.430 3.806 -9.401 551 2HB ALA 74 2HB ALA 74 6.472 2.482 -10.094 552 3HB ALA 74 1HB ALA 74 8.006 2.133 -9.280 553 H GLY 75 HN GLY 75 8.176 5.527 -11.280 554 1HA GLY 75 1HA GLY 75 7.888 6.897 -13.262 555 2HA GLY 75 2HA GLY 75 6.693 5.747 -13.877 556 H ILE 76 HN ILE 76 7.047 7.301 -10.631 557 HA ILE 76 HA ILE 76 4.192 8.072 -10.703 558 HB ILE 76 HB ILE 76 6.401 8.110 -8.643 559 1HG1 ILE 76 2HG12 ILE 76 4.857 6.806 -7.364 560 2HG1 ILE 76 1HG11 ILE 76 3.515 7.148 -8.466 561 1HG2 ILE 76 3HG23 ILE 76 3.744 9.597 -8.440 562 2HG2 ILE 76 2HG22 ILE 76 4.780 9.191 -7.062 563 3HG2 ILE 76 1HG21 ILE 76 5.374 10.297 -8.295 564 1HD1 ILE 76 2HD12 ILE 76 5.951 5.471 -9.142 565 2HD1 ILE 76 3HD13 ILE 76 4.344 4.854 -8.723 566 3HD1 ILE 76 1HD11 ILE 76 4.551 5.763 -10.207 567 H THR 77 HN THR 77 3.440 10.022 -11.247 568 HA THR 77 HA THR 77 5.324 12.299 -11.677 569 HB THR 77 HB THR 77 3.463 13.046 -13.230 570 HG1 THR 77 HG1 THR 77 2.081 11.239 -13.890 571 1HG2 THR 77 3HG23 THR 77 5.520 11.910 -14.076 572 2HG2 THR 77 2HG22 THR 77 4.717 10.337 -13.899 573 3HG2 THR 77 1HG21 THR 77 4.097 11.526 -15.062 574 H ALA 78 HN ALA 78 1.840 11.920 -11.291 575 HA ALA 78 HA ALA 78 1.753 13.971 -9.136 576 1HB ALA 78 1HB ALA 78 0.157 14.154 -11.015 577 2HB ALA 78 3HB ALA 78 -0.468 12.528 -10.652 578 3HB ALA 78 2HB ALA 78 -0.687 13.849 -9.484 579 H MET 79 HN MET 79 0.820 13.501 -7.095 580 HA MET 79 HA MET 79 0.662 10.626 -6.356 581 1HB MET 79 2HB MET 79 1.228 11.548 -4.021 582 2HB MET 79 1HB MET 79 2.528 11.235 -5.159 583 1HG MET 79 1HG MET 79 1.281 13.993 -4.767 584 2HG MET 79 2HG MET 79 2.626 13.377 -3.813 585 1HE MET 79 3HE MET 79 2.762 16.132 -5.235 586 2HE MET 79 1HE MET 79 4.091 15.425 -4.278 587 3HE MET 79 2HE MET 79 4.410 16.067 -5.908 588 HA PRO 80 HA PRO 80 -0.233 9.565 -4.547 589 1HB PRO 80 2HB PRO 80 -3.083 8.585 -4.665 590 2HB PRO 80 1HB PRO 80 -1.807 8.153 -3.491 591 1HG PRO 80 2HG PRO 80 -3.689 9.909 -2.769 592 2HG PRO 80 1HG PRO 80 -1.988 10.310 -2.434 593 1HD PRO 80 2HD PRO 80 -3.641 11.222 -4.836 594 2HD PRO 80 1HD PRO 80 -2.702 12.236 -3.705 595 H THR 81 HN THR 81 -0.321 7.346 -5.587 596 HA THR 81 HA THR 81 -1.654 7.037 -8.151 597 HB THR 81 HB THR 81 1.313 7.615 -7.927 598 HG1 THR 81 HG1 THR 81 0.172 9.253 -8.819 599 1HG2 THR 81 2HG22 THR 81 0.023 5.841 -10.048 600 2HG2 THR 81 3HG23 THR 81 1.603 6.635 -10.219 601 3HG2 THR 81 1HG21 THR 81 1.370 5.424 -8.950 602 H PHE 82 HN PHE 82 -2.157 4.949 -8.378 603 HA PHE 82 HA PHE 82 -1.143 3.025 -6.357 604 1HB PHE 82 1HB PHE 82 -3.683 3.222 -7.986 605 2HB PHE 82 2HB PHE 82 -3.265 1.851 -6.975 606 HD1 PHE 82 HD1 PHE 82 -3.197 2.031 -4.515 607 HD2 PHE 82 HD2 PHE 82 -4.234 5.440 -6.964 608 HE1 PHE 82 HE1 PHE 82 -3.990 3.263 -2.512 609 HE2 PHE 82 HE2 PHE 82 -4.851 6.700 -4.933 610 HZ PHE 82 HZ PHE 82 -4.613 5.618 -2.680 611 H HIS 83 HN HIS 83 0.360 1.543 -7.144 612 HA HIS 83 HA HIS 83 0.035 0.597 -10.025 613 1HB HIS 83 1HB HIS 83 2.450 0.810 -8.186 614 2HB HIS 83 2HB HIS 83 2.422 -0.111 -9.704 615 HD2 HIS 83 HD2 HIS 83 0.786 3.329 -10.162 616 HE1 HIS 83 HE1 HIS 83 4.747 3.524 -11.596 617 HE2 HIS 83 HE2 HIS 83 2.500 4.707 -11.581 618 H VAL 84 HN VAL 84 0.006 -1.453 -10.529 619 HA VAL 84 HA VAL 84 -0.342 -3.323 -8.235 620 HB VAL 84 HB VAL 84 -1.629 -3.217 -11.001 621 1HG1 VAL 84 2HG12 VAL 84 -1.643 -5.395 -8.925 622 2HG1 VAL 84 3HG13 VAL 84 -2.764 -5.250 -10.323 623 3HG1 VAL 84 1HG11 VAL 84 -1.030 -5.497 -10.601 624 1HG2 VAL 84 1HG21 VAL 84 -2.546 -1.889 -9.063 625 2HG2 VAL 84 2HG22 VAL 84 -3.621 -3.254 -9.532 626 3HG2 VAL 84 3HG23 VAL 84 -2.555 -3.396 -8.101 627 H TYR 85 HN TYR 85 1.182 -4.725 -8.038 628 HA TYR 85 HA TYR 85 2.668 -5.447 -10.488 629 1HB TYR 85 1HB TYR 85 3.679 -5.390 -7.605 630 2HB TYR 85 2HB TYR 85 4.595 -6.012 -8.978 631 HD1 TYR 85 HD1 TYR 85 3.169 -2.911 -7.481 632 HD2 TYR 85 HD2 TYR 85 5.852 -4.586 -10.403 633 HE1 TYR 85 HE1 TYR 85 4.089 -0.659 -7.957 634 HE2 TYR 85 HE2 TYR 85 6.634 -2.310 -10.989 635 HH TYR 85 HH TYR 85 4.933 0.598 -9.940 636 H LYS 86 HN LYS 86 0.678 -6.830 -10.646 637 HA LYS 86 HA LYS 86 0.681 -9.312 -9.077 638 1HB LYS 86 2HB LYS 86 -1.344 -8.226 -10.294 639 2HB LYS 86 1HB LYS 86 -0.612 -8.832 -11.786 640 1HG LYS 86 2HG LYS 86 -0.645 -11.174 -10.632 641 2HG LYS 86 1HG LYS 86 -1.590 -10.388 -9.364 642 1HD LYS 86 1HD LYS 86 -3.258 -11.291 -10.753 643 2HD LYS 86 2HD LYS 86 -3.171 -9.610 -11.286 644 1HE LYS 86 1HE LYS 86 -3.241 -10.964 -13.260 645 2HE LYS 86 2HE LYS 86 -1.570 -10.400 -13.140 646 1HZ LYS 86 2HZ LYS 86 -1.041 -12.573 -12.146 647 2HZ LYS 86 1HZ LYS 86 -2.613 -13.031 -12.349 648 3HZ LYS 86 3HZ LYS 86 -1.673 -12.706 -13.659 649 H ASP 87 HN ASP 87 1.519 -11.319 -9.980 650 HA ASP 87 HA ASP 87 2.926 -12.681 -11.065 651 1HB ASP 87 1HB ASP 87 1.886 -11.698 -13.177 652 2HB ASP 87 2HB ASP 87 3.245 -10.591 -13.287 653 H GLY 88 HN GLY 88 4.081 -9.383 -11.466 654 1HA GLY 88 1HA GLY 88 6.148 -9.438 -9.579 655 2HA GLY 88 2HA GLY 88 6.894 -10.056 -11.068 656 H VAL 89 HN VAL 89 5.955 -8.667 -13.068 657 HA VAL 89 HA VAL 89 7.122 -6.021 -12.704 658 HB VAL 89 HB VAL 89 7.450 -7.484 -14.704 659 1HG1 VAL 89 3HG13 VAL 89 5.132 -8.376 -14.942 660 2HG1 VAL 89 1HG11 VAL 89 4.573 -6.766 -15.436 661 3HG1 VAL 89 2HG12 VAL 89 5.736 -7.649 -16.436 662 1HG2 VAL 89 2HG22 VAL 89 7.819 -5.011 -14.809 663 2HG2 VAL 89 3HG23 VAL 89 7.424 -5.771 -16.360 664 3HG2 VAL 89 1HG21 VAL 89 6.190 -4.838 -15.509 665 H LYS 90 HN LYS 90 5.945 -4.039 -13.435 666 HA LYS 90 HA LYS 90 3.491 -3.556 -12.128 667 1HB LYS 90 1HB LYS 90 5.109 -1.835 -12.825 668 2HB LYS 90 2HB LYS 90 4.660 -2.105 -14.517 669 1HG LYS 90 2HG LYS 90 2.411 -1.297 -14.124 670 2HG LYS 90 1HG LYS 90 2.600 -1.384 -12.371 671 1HD LYS 90 2HD LYS 90 2.749 0.935 -13.149 672 2HD LYS 90 1HD LYS 90 4.282 0.420 -12.416 673 1HE LYS 90 1HE LYS 90 5.321 0.138 -14.588 674 2HE LYS 90 2HE LYS 90 3.753 0.315 -15.397 675 1HZ LYS 90 3HZ LYS 90 3.725 2.595 -14.580 676 2HZ LYS 90 2HZ LYS 90 5.219 2.398 -13.898 677 3HZ LYS 90 1HZ LYS 90 5.040 2.309 -15.530 678 H ALA 91 HN ALA 91 1.761 -4.801 -12.565 679 HA ALA 91 HA ALA 91 1.207 -5.934 -15.205 680 1HB ALA 91 1HB ALA 91 0.792 -7.155 -13.063 681 2HB ALA 91 2HB ALA 91 -0.409 -5.921 -12.626 682 3HB ALA 91 3HB ALA 91 -0.700 -6.963 -14.022 683 H ASP 92 HN ASP 92 -0.039 -3.391 -13.086 684 HA ASP 92 HA ASP 92 -1.496 -2.059 -15.199 685 1HB ASP 92 1HB ASP 92 -3.057 -3.910 -14.642 686 2HB ASP 92 2HB ASP 92 -2.950 -3.492 -12.925 687 H ASP 93 HN ASP 93 -2.658 -0.074 -14.063 688 HA ASP 93 HA ASP 93 -1.842 0.537 -11.429 689 1HB ASP 93 2HB ASP 93 -0.370 2.490 -11.891 690 2HB ASP 93 1HB ASP 93 0.379 1.000 -12.425 691 H LEU 94 HN LEU 94 -2.237 2.997 -11.058 692 HA LEU 94 HA LEU 94 -4.278 4.269 -12.732 693 1HB LEU 94 2HB LEU 94 -5.651 2.651 -11.686 694 2HB LEU 94 1HB LEU 94 -4.872 2.853 -10.110 695 HG LEU 94 HG LEU 94 -5.892 5.054 -9.829 696 1HD1 LEU 94 2HD12 LEU 94 -7.039 4.524 -12.614 697 2HD1 LEU 94 1HD11 LEU 94 -7.633 5.798 -11.526 698 3HD1 LEU 94 3HD13 LEU 94 -5.983 5.870 -12.144 699 1HD2 LEU 94 1HD21 LEU 94 -7.071 3.024 -9.130 700 2HD2 LEU 94 3HD23 LEU 94 -8.206 4.287 -9.614 701 3HD2 LEU 94 2HD22 LEU 94 -7.886 2.929 -10.708 702 H VAL 95 HN VAL 95 -3.457 6.321 -12.660 703 HA VAL 95 HA VAL 95 -2.001 7.304 -10.349 704 HB VAL 95 HB VAL 95 -1.825 9.381 -11.629 705 1HG1 VAL 95 1HG21 VAL 95 -0.236 7.537 -12.037 706 2HG1 VAL 95 2HG22 VAL 95 -1.266 6.925 -13.348 707 3HG1 VAL 95 3HG23 VAL 95 -0.502 8.520 -13.486 708 1HG2 VAL 95 3HG13 VAL 95 -4.043 9.409 -12.749 709 2HG2 VAL 95 2HG12 VAL 95 -2.711 9.593 -13.897 710 3HG2 VAL 95 1HG11 VAL 95 -3.549 8.040 -13.767 711 H GLY 96 HN GLY 96 -2.573 9.247 -9.112 712 1HA GLY 96 1HA GLY 96 -3.966 10.856 -8.248 713 2HA GLY 96 2HA GLY 96 -5.289 10.311 -9.298 714 H ALA 97 HN ALA 97 -6.232 10.855 -7.039 715 HA ALA 97 HA ALA 97 -6.026 9.032 -4.862 716 1HB ALA 97 2HB ALA 97 -7.029 11.335 -4.776 717 2HB ALA 97 3HB ALA 97 -8.414 10.753 -5.715 718 3HB ALA 97 1HB ALA 97 -8.096 10.092 -4.099 719 H SER 98 HN SER 98 -8.342 9.326 -7.490 720 HA SER 98 HA SER 98 -10.107 7.986 -8.198 721 1HB SER 98 2HB SER 98 -7.565 6.400 -8.700 722 2HB SER 98 1HB SER 98 -8.979 6.549 -9.777 723 HG SER 98 HG SER 98 -6.912 7.983 -10.029 724 H GLN 99 HN GLN 99 -10.238 7.362 -5.484 725 HA GLN 99 HA GLN 99 -9.712 4.722 -4.747 726 1HB GLN 99 1HB GLN 99 -11.992 6.514 -3.775 727 2HB GLN 99 2HB GLN 99 -11.418 5.031 -3.011 728 1HG GLN 99 1HG GLN 99 -10.240 6.481 -1.762 729 2HG GLN 99 2HG GLN 99 -9.050 6.266 -3.050 730 1HE2 GLN 99 2HE22 GLN 99 -9.882 9.954 -2.172 731 2HE2 GLN 99 1HE21 GLN 99 -9.677 8.574 -1.108 732 H ASP 100 HN ASP 100 -12.633 6.003 -6.340 733 HA ASP 100 HA ASP 100 -14.296 3.715 -6.080 734 1HB ASP 100 1HB ASP 100 -15.581 4.680 -7.897 735 2HB ASP 100 2HB ASP 100 -15.109 5.950 -6.766 736 H LYS 101 HN LYS 101 -12.156 4.721 -8.767 737 HA LYS 101 HA LYS 101 -12.549 2.278 -10.243 738 1HB LYS 101 1HB LYS 101 -11.932 4.499 -11.171 739 2HB LYS 101 2HB LYS 101 -10.310 4.330 -10.489 740 1HG LYS 101 1HG LYS 101 -9.973 2.260 -11.834 741 2HG LYS 101 2HG LYS 101 -11.609 2.401 -12.486 742 1HD LYS 101 2HD LYS 101 -9.411 4.489 -12.857 743 2HD LYS 101 1HD LYS 101 -9.794 3.209 -14.019 744 1HE LYS 101 1HE LYS 101 -12.132 4.117 -14.203 745 2HE LYS 101 2HE LYS 101 -11.663 5.467 -13.151 746 1HZ LYS 101 1HZ LYS 101 -10.015 6.075 -14.751 747 2HZ LYS 101 3HZ LYS 101 -10.453 4.829 -15.740 748 3HZ LYS 101 2HZ LYS 101 -11.515 6.050 -15.432 749 H LEU 102 HN LEU 102 -10.106 3.385 -7.858 750 HA LEU 102 HA LEU 102 -8.262 1.306 -8.132 751 1HB LEU 102 1HB LEU 102 -7.968 3.299 -6.651 752 2HB LEU 102 2HB LEU 102 -9.168 2.636 -5.533 753 HG LEU 102 HG LEU 102 -7.744 0.663 -5.108 754 1HD1 LEU 102 2HD22 LEU 102 -5.798 2.180 -6.893 755 2HD1 LEU 102 1HD21 LEU 102 -5.317 0.881 -5.777 756 3HD1 LEU 102 3HD23 LEU 102 -6.392 0.522 -7.132 757 1HD2 LEU 102 1HD11 LEU 102 -6.569 3.432 -4.669 758 2HD2 LEU 102 2HD12 LEU 102 -7.725 2.584 -3.621 759 3HD2 LEU 102 3HD13 LEU 102 -6.076 1.960 -3.807 760 H LYS 103 HN LYS 103 -11.210 1.378 -6.012 761 HA LYS 103 HA LYS 103 -10.971 -1.233 -4.981 762 1HB LYS 103 2HB LYS 103 -13.374 0.457 -5.741 763 2HB LYS 103 1HB LYS 103 -13.515 -1.086 -4.893 764 1HG LYS 103 2HG LYS 103 -12.013 -0.245 -3.109 765 2HG LYS 103 1HG LYS 103 -11.998 1.352 -3.851 766 1HD LYS 103 1HD LYS 103 -14.511 -0.087 -2.839 767 2HD LYS 103 2HD LYS 103 -13.544 1.051 -1.904 768 1HE LYS 103 1HE LYS 103 -15.317 2.349 -2.662 769 2HE LYS 103 2HE LYS 103 -13.976 2.801 -3.724 770 1HZ LYS 103 1HZ LYS 103 -16.090 0.854 -4.381 771 2HZ LYS 103 3HZ LYS 103 -16.098 2.436 -4.837 772 3HZ LYS 103 2HZ LYS 103 -14.940 1.429 -5.412 773 H ALA 104 HN ALA 104 -12.542 -0.152 -8.037 774 HA ALA 104 HA ALA 104 -13.402 -2.721 -8.886 775 1HB ALA 104 2HB ALA 104 -14.149 -0.571 -9.893 776 2HB ALA 104 3HB ALA 104 -12.550 -0.373 -10.642 777 3HB ALA 104 1HB ALA 104 -13.577 -1.737 -11.101 778 H LEU 105 HN LEU 105 -10.252 -1.020 -9.424 779 HA LEU 105 HA LEU 105 -9.170 -3.112 -11.079 780 1HB LEU 105 2HB LEU 105 -7.754 -1.053 -9.347 781 2HB LEU 105 1HB LEU 105 -6.966 -2.152 -10.478 782 HG LEU 105 HG LEU 105 -8.930 0.066 -11.173 783 1HD1 LEU 105 3HD13 LEU 105 -6.604 0.725 -10.652 784 2HD1 LEU 105 2HD12 LEU 105 -6.005 -0.401 -11.888 785 3HD1 LEU 105 1HD11 LEU 105 -7.006 0.982 -12.368 786 1HD2 LEU 105 2HD22 LEU 105 -7.706 -2.041 -12.992 787 2HD2 LEU 105 3HD23 LEU 105 -9.439 -1.704 -12.748 788 3HD2 LEU 105 1HD21 LEU 105 -8.419 -0.522 -13.565 789 H VAL 106 HN VAL 106 -8.837 -2.506 -7.518 790 HA VAL 106 HA VAL 106 -7.203 -4.774 -7.030 791 HB VAL 106 HB VAL 106 -9.351 -3.603 -5.191 792 1HG1 VAL 106 3HG23 VAL 106 -6.963 -5.432 -4.642 793 2HG1 VAL 106 1HG21 VAL 106 -7.969 -4.665 -3.394 794 3HG1 VAL 106 2HG22 VAL 106 -8.672 -5.875 -4.472 795 1HG2 VAL 106 2HG12 VAL 106 -6.354 -3.096 -5.459 796 2HG2 VAL 106 3HG13 VAL 106 -7.632 -1.929 -5.806 797 3HG2 VAL 106 1HG11 VAL 106 -7.377 -2.471 -4.145 798 H ALA 107 HN ALA 107 -10.745 -4.490 -7.090 799 HA ALA 107 HA ALA 107 -11.338 -7.216 -6.673 800 1HB ALA 107 3HB ALA 107 -13.037 -5.424 -6.652 801 2HB ALA 107 1HB ALA 107 -12.889 -5.245 -8.414 802 3HB ALA 107 2HB ALA 107 -13.504 -6.758 -7.722 803 H LYS 108 HN LYS 108 -10.775 -5.563 -9.833 804 HA LYS 108 HA LYS 108 -11.130 -7.700 -11.593 805 1HB LYS 108 2HB LYS 108 -10.722 -5.685 -12.634 806 2HB LYS 108 1HB LYS 108 -9.445 -5.223 -11.557 807 1HG LYS 108 1HG LYS 108 -7.847 -6.753 -12.651 808 2HG LYS 108 2HG LYS 108 -9.071 -7.199 -13.828 809 1HD LYS 108 2HD LYS 108 -7.915 -4.422 -13.298 810 2HD LYS 108 1HD LYS 108 -7.490 -5.497 -14.633 811 1HE LYS 108 1HE LYS 108 -9.869 -5.361 -15.453 812 2HE LYS 108 2HE LYS 108 -10.199 -4.158 -14.189 813 1HZ LYS 108 1HZ LYS 108 -8.507 -2.778 -15.133 814 2HZ LYS 108 3HZ LYS 108 -8.210 -3.881 -16.321 815 3HZ LYS 108 2HZ LYS 108 -9.672 -3.125 -16.246 816 H HIS 109 HN HIS 109 -8.081 -6.799 -9.929 817 HA HIS 109 HA HIS 109 -6.702 -9.110 -11.064 818 1HB HIS 109 1HB HIS 109 -5.905 -7.120 -8.913 819 2HB HIS 109 2HB HIS 109 -4.841 -8.349 -9.620 820 HD2 HIS 109 HD2 HIS 109 -6.219 -4.821 -10.456 821 HE1 HIS 109 HE1 HIS 109 -4.110 -6.139 -13.837 822 HE2 HIS 109 HE2 HIS 109 -5.258 -4.141 -12.771 823 H ALA 110 HN ALA 110 -7.940 -8.321 -7.799 824 HA ALA 110 HA ALA 110 -6.945 -10.678 -6.513 825 1HB ALA 110 1HB ALA 110 -7.582 -8.508 -5.401 826 2HB ALA 110 2HB ALA 110 -9.284 -8.888 -5.725 827 3HB ALA 110 3HB ALA 110 -8.334 -9.939 -4.657 828 H ALA 111 HN ALA 111 -9.992 -9.940 -8.191 829 HA ALA 111 HA ALA 111 -11.848 -11.121 -8.654 830 1HB ALA 111 1HB ALA 111 -10.243 -12.717 -9.700 831 2HB ALA 111 2HB ALA 111 -10.154 -13.623 -8.172 832 3HB ALA 111 3HB ALA 111 -11.687 -13.516 -9.052 833 H ALA 112 HN ALA 112 -11.737 -9.978 -6.170 834 HA ALA 112 HA ALA 112 -13.600 -11.399 -4.615 835 1HB ALA 112 2HB ALA 112 -10.744 -11.178 -3.534 836 2HB ALA 112 1HB ALA 112 -12.178 -11.599 -2.574 837 3HB ALA 112 3HB ALA 112 -11.619 -12.697 -3.849 No H/Q in entry = 837 Start of MODEL 21 1 1H GLY 1 1HN GLY 1 -1.256 -13.359 0.647 2 2H GLY 1 3HN GLY 1 -0.782 -12.745 -0.831 3 3H GLY 1 2HN GLY 1 0.350 -13.445 0.161 4 1HA GLY 1 1HA GLY 1 0.654 -11.187 0.260 5 2HA GLY 1 2HA GLY 1 -1.096 -10.927 0.508 6 H GLY 2 HN GLY 2 -1.352 -10.175 2.548 7 1HA GLY 2 1HA GLY 2 -1.472 -10.789 4.884 8 2HA GLY 2 2HA GLY 2 0.206 -11.358 4.819 9 H SER 3 HN SER 3 1.688 -9.463 3.684 10 HA SER 3 HA SER 3 1.893 -7.494 5.677 11 1HB SER 3 2HB SER 3 3.230 -7.362 2.959 12 2HB SER 3 1HB SER 3 3.830 -6.848 4.541 13 HG SER 3 HG SER 3 3.788 -9.106 5.135 14 H VAL 4 HN VAL 4 -0.302 -6.597 5.567 15 HA VAL 4 HA VAL 4 -0.732 -4.435 3.568 16 HB VAL 4 HB VAL 4 -2.338 -5.578 5.899 17 1HG1 VAL 4 2HG22 VAL 4 -2.893 -3.107 4.228 18 2HG1 VAL 4 3HG23 VAL 4 -4.172 -4.031 5.072 19 3HG1 VAL 4 1HG21 VAL 4 -2.903 -3.248 5.991 20 1HG2 VAL 4 1HG11 VAL 4 -2.755 -5.483 2.886 21 2HG2 VAL 4 3HG13 VAL 4 -2.374 -6.922 3.851 22 3HG2 VAL 4 2HG12 VAL 4 -3.932 -6.099 4.050 23 H ILE 5 HN ILE 5 0.946 -2.899 4.006 24 HA ILE 5 HA ILE 5 0.567 -1.364 6.468 25 HB ILE 5 HB ILE 5 2.993 -1.417 7.077 26 1HG1 ILE 5 1HG11 ILE 5 3.206 -3.869 5.281 27 2HG1 ILE 5 2HG12 ILE 5 3.805 -2.266 4.832 28 1HG2 ILE 5 2HG22 ILE 5 1.298 -2.845 8.271 29 2HG2 ILE 5 1HG21 ILE 5 1.849 -4.223 7.283 30 3HG2 ILE 5 3HG23 ILE 5 2.962 -3.400 8.383 31 1HD1 ILE 5 3HD13 ILE 5 5.237 -2.250 6.895 32 2HD1 ILE 5 2HD12 ILE 5 4.789 -3.954 7.156 33 3HD1 ILE 5 1HD11 ILE 5 5.669 -3.480 5.698 34 H VAL 6 HN VAL 6 2.107 0.496 6.516 35 HA VAL 6 HA VAL 6 2.468 1.644 3.826 36 HB VAL 6 HB VAL 6 2.727 3.762 4.928 37 1HG1 VAL 6 3HG13 VAL 6 0.351 2.867 4.738 38 2HG1 VAL 6 1HG11 VAL 6 0.462 2.372 6.433 39 3HG1 VAL 6 2HG12 VAL 6 0.584 4.085 6.003 40 1HG2 VAL 6 2HG22 VAL 6 2.711 2.280 7.597 41 2HG2 VAL 6 3HG23 VAL 6 4.076 3.165 6.881 42 3HG2 VAL 6 1HG21 VAL 6 2.632 4.040 7.398 43 H ILE 7 HN ILE 7 4.726 2.329 3.235 44 HA ILE 7 HA ILE 7 6.798 1.415 5.071 45 HB ILE 7 HB ILE 7 5.962 -0.656 3.824 46 1HG1 ILE 7 1HG11 ILE 7 8.115 -1.549 3.238 47 2HG1 ILE 7 2HG12 ILE 7 8.866 0.044 3.231 48 1HG2 ILE 7 3HG23 ILE 7 5.490 0.485 1.648 49 2HG2 ILE 7 2HG22 ILE 7 7.239 0.672 1.389 50 3HG2 ILE 7 1HG21 ILE 7 6.520 -0.942 1.475 51 1HD1 ILE 7 3HD13 ILE 7 7.527 -1.223 5.671 52 2HD1 ILE 7 2HD12 ILE 7 9.264 -1.303 5.339 53 3HD1 ILE 7 1HD11 ILE 7 8.521 0.252 5.665 54 H ASP 8 HN ASP 8 8.915 2.054 4.498 55 HA ASP 8 HA ASP 8 9.105 4.143 2.394 56 1HB ASP 8 1HB ASP 8 10.182 5.561 4.087 57 2HB ASP 8 2HB ASP 8 8.585 5.088 4.668 58 H SER 9 HN SER 9 10.106 1.385 2.209 59 HA SER 9 HA SER 9 12.915 2.029 1.691 60 1HB SER 9 2HB SER 9 12.135 -0.011 3.800 61 2HB SER 9 1HB SER 9 13.708 0.004 2.980 62 HG SER 9 HG SER 9 12.860 2.419 4.094 63 H LYS 10 HN LYS 10 13.425 1.132 -0.167 64 HA LYS 10 HA LYS 10 11.884 -0.551 -1.744 65 1HB LYS 10 1HB LYS 10 13.748 0.765 -2.562 66 2HB LYS 10 2HB LYS 10 14.912 -0.197 -1.639 67 1HG LYS 10 1HG LYS 10 14.422 -2.198 -2.922 68 2HG LYS 10 2HG LYS 10 13.083 -1.395 -3.763 69 1HD LYS 10 1HD LYS 10 14.617 0.024 -4.977 70 2HD LYS 10 2HD LYS 10 15.974 -0.433 -3.936 71 1HE LYS 10 2HE LYS 10 15.975 -1.570 -6.189 72 2HE LYS 10 1HE LYS 10 16.041 -2.671 -4.804 73 1HZ LYS 10 1HZ LYS 10 13.576 -2.024 -6.255 74 2HZ LYS 10 3HZ LYS 10 14.499 -3.367 -6.509 75 3HZ LYS 10 2HZ LYS 10 13.771 -3.146 -5.052 76 H ALA 11 HN ALA 11 14.485 -1.382 0.524 77 HA ALA 11 HA ALA 11 14.761 -4.133 -0.020 78 1HB ALA 11 2HB ALA 11 14.974 -2.714 2.681 79 2HB ALA 11 1HB ALA 11 15.622 -4.323 2.296 80 3HB ALA 11 3HB ALA 11 16.271 -2.888 1.478 81 H ALA 12 HN ALA 12 12.560 -2.542 2.305 82 HA ALA 12 HA ALA 12 11.286 -4.960 3.204 83 1HB ALA 12 1HB ALA 12 10.408 -2.052 3.283 84 2HB ALA 12 2HB ALA 12 9.626 -3.393 4.159 85 3HB ALA 12 3HB ALA 12 11.294 -2.925 4.551 86 H TRP 13 HN TRP 13 10.597 -2.576 0.617 87 HA TRP 13 HA TRP 13 8.045 -3.581 -0.167 88 1HB TRP 13 2HB TRP 13 8.355 -1.672 -1.270 89 2HB TRP 13 1HB TRP 13 10.088 -1.758 -1.204 90 HD1 TRP 13 HD1 TRP 13 11.265 -3.327 -3.226 91 HE1 TRP 13 HE1 TRP 13 10.707 -3.394 -5.704 92 HE3 TRP 13 HE3 TRP 13 6.636 -1.180 -3.039 93 HZ2 TRP 13 HZ2 TRP 13 8.652 -2.410 -7.420 94 HZ3 TRP 13 HZ3 TRP 13 5.583 -0.441 -5.142 95 HH2 TRP 13 HH2 TRP 13 6.490 -1.157 -7.343 96 H ASP 14 HN ASP 14 11.331 -4.481 -1.351 97 HA ASP 14 HA ASP 14 10.371 -6.541 -3.101 98 1HB ASP 14 2HB ASP 14 13.103 -6.180 -1.791 99 2HB ASP 14 1HB ASP 14 12.706 -7.400 -3.018 100 H ALA 15 HN ALA 15 11.619 -6.632 0.228 101 HA ALA 15 HA ALA 15 11.495 -9.398 0.675 102 1HB ALA 15 2HB ALA 15 12.458 -7.752 2.273 103 2HB ALA 15 1HB ALA 15 10.817 -7.196 2.676 104 3HB ALA 15 3HB ALA 15 11.314 -8.855 3.057 105 H GLN 16 HN GLN 16 8.928 -6.975 1.171 106 HA GLN 16 HA GLN 16 6.850 -8.759 1.980 107 1HB GLN 16 2HB GLN 16 6.853 -6.021 0.697 108 2HB GLN 16 1HB GLN 16 5.353 -6.891 1.073 109 1HG GLN 16 1HG GLN 16 5.887 -7.100 3.383 110 2HG GLN 16 2HG GLN 16 7.529 -6.484 3.167 111 1HE2 GLN 16 1HE21 GLN 16 6.553 -3.056 2.725 112 2HE2 GLN 16 2HE22 GLN 16 7.708 -4.289 2.179 113 H LEU 17 HN LEU 17 7.654 -7.451 -1.288 114 HA LEU 17 HA LEU 17 5.720 -8.782 -2.802 115 1HB LEU 17 1HB LEU 17 8.408 -7.634 -3.270 116 2HB LEU 17 2HB LEU 17 8.111 -9.017 -4.301 117 HG LEU 17 HG LEU 17 5.952 -7.942 -5.026 118 1HD1 LEU 17 1HD11 LEU 17 7.099 -5.522 -3.552 119 2HD1 LEU 17 3HD13 LEU 17 5.701 -5.515 -4.632 120 3HD1 LEU 17 2HD12 LEU 17 5.621 -6.401 -3.098 121 1HD2 LEU 17 1HD21 LEU 17 7.999 -7.804 -6.386 122 2HD2 LEU 17 2HD22 LEU 17 7.055 -6.311 -6.515 123 3HD2 LEU 17 3HD23 LEU 17 8.511 -6.353 -5.496 124 H ALA 18 HN ALA 18 8.900 -10.054 -1.773 125 HA ALA 18 HA ALA 18 8.511 -12.645 -2.919 126 1HB ALA 18 2HB ALA 18 10.708 -11.712 -2.379 127 2HB ALA 18 1HB ALA 18 10.334 -11.741 -0.645 128 3HB ALA 18 3HB ALA 18 10.462 -13.265 -1.550 129 H LYS 19 HN LYS 19 8.442 -11.795 0.637 130 HA LYS 19 HA LYS 19 7.593 -14.407 1.370 131 1HB LYS 19 2HB LYS 19 7.227 -13.528 3.563 132 2HB LYS 19 1HB LYS 19 8.681 -12.785 2.882 133 1HG LYS 19 2HG LYS 19 7.288 -10.777 2.329 134 2HG LYS 19 1HG LYS 19 5.893 -11.536 3.075 135 1HD LYS 19 2HD LYS 19 6.749 -10.026 4.674 136 2HD LYS 19 1HD LYS 19 7.142 -11.653 5.249 137 1HE LYS 19 1HE LYS 19 9.480 -11.376 4.437 138 2HE LYS 19 2HE LYS 19 9.061 -9.790 3.765 139 1HZ LYS 19 2HZ LYS 19 8.592 -9.049 5.981 140 2HZ LYS 19 3HZ LYS 19 8.972 -10.528 6.602 141 3HZ LYS 19 1HZ LYS 19 10.135 -9.616 5.875 142 H GLY 20 HN GLY 20 5.722 -11.580 0.353 143 1HA GLY 20 1HA GLY 20 3.179 -12.224 1.269 144 2HA GLY 20 2HA GLY 20 3.561 -11.349 -0.225 145 H LYS 21 HN LYS 21 5.088 -13.850 -1.235 146 HA LYS 21 HA LYS 21 4.721 -15.519 -2.640 147 1HB LYS 21 2HB LYS 21 3.802 -16.359 -0.233 148 2HB LYS 21 1HB LYS 21 2.267 -16.344 -1.076 149 1HG LYS 21 1HG LYS 21 2.854 -18.423 -1.573 150 2HG LYS 21 2HG LYS 21 3.699 -17.705 -2.934 151 1HD LYS 21 2HD LYS 21 4.873 -18.603 -0.240 152 2HD LYS 21 1HD LYS 21 5.046 -19.409 -1.798 153 1HE LYS 21 1HE LYS 21 7.104 -18.345 -1.494 154 2HE LYS 21 2HE LYS 21 6.257 -17.289 -2.628 155 1HZ LYS 21 1HZ LYS 21 5.696 -15.906 -0.697 156 2HZ LYS 21 2HZ LYS 21 6.555 -16.906 0.283 157 3HZ LYS 21 3HZ LYS 21 7.310 -16.041 -0.903 158 H GLU 22 HN GLU 22 3.815 -13.184 -3.587 159 HA GLU 22 HA GLU 22 1.045 -13.254 -4.402 160 1HB GLU 22 1HB GLU 22 3.419 -11.487 -5.188 161 2HB GLU 22 2HB GLU 22 1.723 -11.128 -5.549 162 1HG GLU 22 1HG GLU 22 2.865 -11.407 -2.730 163 2HG GLU 22 2HG GLU 22 2.536 -9.902 -3.555 164 H GLU 23 HN GLU 23 2.229 -15.567 -5.329 165 HA GLU 23 HA GLU 23 3.354 -16.256 -7.529 166 1HB GLU 23 1HB GLU 23 1.806 -17.684 -6.234 167 2HB GLU 23 2HB GLU 23 0.415 -16.908 -7.000 168 1HG GLU 23 1HG GLU 23 1.173 -17.788 -9.219 169 2HG GLU 23 2HG GLU 23 2.564 -18.542 -8.424 170 H HIS 24 HN HIS 24 0.033 -15.062 -7.977 171 HA HIS 24 HA HIS 24 0.766 -13.567 -10.423 172 1HB HIS 24 2HB HIS 24 -1.177 -14.603 -11.601 173 2HB HIS 24 1HB HIS 24 0.001 -15.839 -11.147 174 HD2 HIS 24 HD2 HIS 24 -3.592 -14.630 -10.127 175 HE1 HIS 24 HE1 HIS 24 -2.733 -18.134 -7.920 176 HE2 HIS 24 HE2 HIS 24 -4.530 -16.373 -8.417 177 H LYS 25 HN LYS 25 0.119 -12.894 -7.622 178 HA LYS 25 HA LYS 25 -2.711 -11.950 -7.763 179 1HB LYS 25 2HB LYS 25 -0.903 -12.544 -5.413 180 2HB LYS 25 1HB LYS 25 -2.497 -11.780 -5.266 181 1HG LYS 25 1HG LYS 25 -3.604 -13.673 -6.307 182 2HG LYS 25 2HG LYS 25 -2.062 -14.454 -6.680 183 1HD LYS 25 1HD LYS 25 -1.545 -14.650 -4.268 184 2HD LYS 25 2HD LYS 25 -3.110 -13.917 -3.870 185 1HE LYS 25 1HE LYS 25 -2.733 -16.464 -5.524 186 2HE LYS 25 2HE LYS 25 -3.118 -16.436 -3.791 187 1HZ LYS 25 2HZ LYS 25 -5.124 -15.194 -4.393 188 2HZ LYS 25 1HZ LYS 25 -4.817 -15.447 -5.989 189 3HZ LYS 25 3HZ LYS 25 -5.088 -16.722 -5.006 190 HA PRO 26 HA PRO 26 -1.277 -7.853 -7.966 191 1HB PRO 26 1HB PRO 26 -3.321 -6.403 -6.774 192 2HB PRO 26 2HB PRO 26 -3.365 -7.120 -8.405 193 1HG PRO 26 2HG PRO 26 -4.646 -8.176 -5.892 194 2HG PRO 26 1HG PRO 26 -5.224 -8.217 -7.546 195 1HD PRO 26 2HD PRO 26 -4.009 -10.396 -6.374 196 2HD PRO 26 1HD PRO 26 -3.970 -10.064 -8.125 197 H ILE 27 HN ILE 27 0.160 -6.673 -7.080 198 HA ILE 27 HA ILE 27 0.145 -6.244 -4.143 199 HB ILE 27 HB ILE 27 2.425 -6.045 -4.097 200 1HG1 ILE 27 2HG12 ILE 27 3.835 -6.026 -6.293 201 2HG1 ILE 27 1HG11 ILE 27 2.352 -5.386 -7.005 202 1HG2 ILE 27 3HG23 ILE 27 1.596 -8.366 -4.787 203 2HG2 ILE 27 1HG21 ILE 27 2.198 -8.008 -6.414 204 3HG2 ILE 27 2HG22 ILE 27 3.324 -8.041 -5.046 205 1HD1 ILE 27 1HD11 ILE 27 3.854 -4.205 -4.618 206 2HD1 ILE 27 2HD12 ILE 27 3.933 -3.602 -6.285 207 3HD1 ILE 27 3HD13 ILE 27 2.422 -3.494 -5.364 208 H VAL 28 HN VAL 28 -0.749 -4.332 -3.704 209 HA VAL 28 HA VAL 28 -1.278 -2.450 -5.940 210 HB VAL 28 HB VAL 28 -2.660 -2.607 -3.247 211 1HG1 VAL 28 2HG12 VAL 28 -2.816 -0.505 -4.661 212 2HG1 VAL 28 1HG11 VAL 28 -3.537 -1.479 -5.949 213 3HG1 VAL 28 3HG13 VAL 28 -4.379 -1.313 -4.395 214 1HG2 VAL 28 2HG22 VAL 28 -3.496 -3.961 -5.849 215 2HG2 VAL 28 1HG21 VAL 28 -3.013 -4.793 -4.355 216 3HG2 VAL 28 3HG23 VAL 28 -4.481 -3.827 -4.376 217 H VAL 29 HN VAL 29 0.169 -0.800 -5.942 218 HA VAL 29 HA VAL 29 1.498 -0.070 -3.396 219 HB VAL 29 HB VAL 29 2.140 1.192 -6.057 220 1HG1 VAL 29 3HG23 VAL 29 3.048 2.134 -3.940 221 2HG1 VAL 29 2HG22 VAL 29 3.711 0.542 -3.524 222 3HG1 VAL 29 1HG21 VAL 29 4.339 1.433 -4.913 223 1HG2 VAL 29 2HG12 VAL 29 2.261 -1.240 -6.501 224 2HG2 VAL 29 3HG13 VAL 29 3.845 -0.476 -6.469 225 3HG2 VAL 29 1HG11 VAL 29 3.303 -1.418 -5.060 226 H ASP 30 HN ASP 30 1.038 1.900 -2.451 227 HA ASP 30 HA ASP 30 -0.644 3.883 -3.981 228 1HB ASP 30 2HB ASP 30 -1.917 3.127 -2.085 229 2HB ASP 30 1HB ASP 30 -0.597 3.384 -0.976 230 H PHE 31 HN PHE 31 1.192 4.797 -4.991 231 HA PHE 31 HA PHE 31 3.522 5.531 -3.338 232 1HB PHE 31 2HB PHE 31 2.822 6.088 -6.232 233 2HB PHE 31 1HB PHE 31 4.262 6.633 -5.428 234 HD1 PHE 31 HD2 PHE 31 6.003 5.033 -4.621 235 HD2 PHE 31 HD1 PHE 31 2.681 3.790 -7.076 236 HE1 PHE 31 HE2 PHE 31 7.404 3.259 -5.620 237 HE2 PHE 31 HE1 PHE 31 4.098 2.005 -8.062 238 HZ PHE 31 HZ PHE 31 6.474 1.800 -7.432 239 H THR 32 HN THR 32 2.888 6.983 -1.855 240 HA THR 32 HA THR 32 1.892 9.630 -2.731 241 HB THR 32 HB THR 32 0.695 7.837 -0.580 242 HG1 THR 32 HG1 THR 32 -0.488 7.635 -2.356 243 1HG2 THR 32 2HG22 THR 32 0.393 10.846 -0.941 244 2HG2 THR 32 1HG21 THR 32 -0.741 9.835 -0.014 245 3HG2 THR 32 3HG23 THR 32 0.932 9.997 0.525 246 H ALA 33 HN ALA 33 2.629 11.308 -1.286 247 HA ALA 33 HA ALA 33 5.181 10.593 0.075 248 1HB ALA 33 3HB ALA 33 5.247 12.240 -1.782 249 2HB ALA 33 1HB ALA 33 4.076 13.254 -0.919 250 3HB ALA 33 2HB ALA 33 5.690 12.979 -0.239 251 H THR 34 HN THR 34 5.653 12.413 1.851 252 HA THR 34 HA THR 34 3.734 12.162 4.024 253 HB THR 34 HB THR 34 5.626 13.656 5.035 254 HG1 THR 34 HG1 THR 34 7.584 13.351 3.587 255 1HG2 THR 34 2HG22 THR 34 6.300 10.909 3.880 256 2HG2 THR 34 3HG23 THR 34 7.168 11.712 5.204 257 3HG2 THR 34 1HG21 THR 34 5.477 11.219 5.420 258 H TRP 35 HN TRP 35 5.430 14.775 2.406 259 HA TRP 35 HA TRP 35 3.621 16.907 3.027 260 1HB TRP 35 2HB TRP 35 4.830 18.030 1.068 261 2HB TRP 35 1HB TRP 35 5.817 17.493 2.422 262 HD1 TRP 35 HD1 TRP 35 7.714 15.806 1.983 263 HE1 TRP 35 HE1 TRP 35 8.684 14.617 -0.053 264 HE3 TRP 35 HE3 TRP 35 4.073 16.981 -1.436 265 HZ2 TRP 35 HZ2 TRP 35 7.940 14.159 -2.802 266 HZ3 TRP 35 HZ3 TRP 35 4.223 16.121 -3.743 267 HH2 TRP 35 HH2 TRP 35 6.133 14.691 -4.438 268 H CYS 36 HN CYS 36 2.057 17.856 1.792 269 HA CYS 36 HA CYS 36 0.918 17.988 -0.470 270 1HB CYS 36 2HB CYS 36 1.120 15.740 -1.282 271 2HB CYS 36 1HB CYS 36 0.417 15.068 0.204 272 H GLY 37 HN GLY 37 -0.120 15.942 2.239 273 1HA GLY 37 1HA GLY 37 -1.411 16.655 4.099 274 2HA GLY 37 2HA GLY 37 -2.066 18.000 3.167 275 HA PRO 38 HA PRO 38 -5.800 15.701 2.469 276 1HB PRO 38 1HB PRO 38 -5.383 16.322 -0.473 277 2HB PRO 38 2HB PRO 38 -6.902 16.382 0.470 278 1HG PRO 38 2HG PRO 38 -5.551 18.677 0.027 279 2HG PRO 38 1HG PRO 38 -6.132 18.325 1.683 280 1HD PRO 38 1HD PRO 38 -3.362 17.928 0.547 281 2HD PRO 38 2HD PRO 38 -3.846 18.661 2.108 282 H CYS 39 HN CYS 39 -3.233 15.009 0.138 283 HA CYS 39 HA CYS 39 -3.896 12.558 -0.933 284 1HB CYS 39 2HB CYS 39 -1.161 13.309 0.189 285 2HB CYS 39 1HB CYS 39 -1.523 12.011 -0.943 286 H LYS 40 HN LYS 40 -2.611 13.220 2.335 287 HA LYS 40 HA LYS 40 -2.012 10.551 3.054 288 1HB LYS 40 2HB LYS 40 -1.279 12.802 4.125 289 2HB LYS 40 1HB LYS 40 -2.850 12.816 4.912 290 1HG LYS 40 2HG LYS 40 -1.134 11.987 6.412 291 2HG LYS 40 1HG LYS 40 -2.320 10.722 6.089 292 1HD LYS 40 1HD LYS 40 0.028 9.911 6.150 293 2HD LYS 40 2HD LYS 40 -0.778 9.547 4.629 294 1HE LYS 40 2HE LYS 40 0.421 11.417 3.514 295 2HE LYS 40 1HE LYS 40 1.133 11.909 5.057 296 1HZ LYS 40 1HZ LYS 40 1.523 9.282 3.819 297 2HZ LYS 40 3HZ LYS 40 2.512 10.567 3.556 298 3HZ LYS 40 2HZ LYS 40 2.370 9.927 5.078 299 H MET 41 HN MET 41 -5.056 12.339 3.035 300 HA MET 41 HA MET 41 -6.465 10.658 4.948 301 1HB MET 41 2HB MET 41 -7.552 12.463 2.732 302 2HB MET 41 1HB MET 41 -8.449 11.834 4.118 303 1HG MET 41 2HG MET 41 -7.020 13.102 5.664 304 2HG MET 41 1HG MET 41 -6.072 13.737 4.312 305 1HE MET 41 2HE MET 41 -6.332 16.154 5.204 306 2HE MET 41 1HE MET 41 -7.902 16.903 5.583 307 3HE MET 41 3HE MET 41 -7.305 15.550 6.571 308 H ILE 42 HN ILE 42 -5.551 10.135 1.606 309 HA ILE 42 HA ILE 42 -7.762 8.242 1.186 310 HB ILE 42 HB ILE 42 -5.209 8.786 -0.384 311 1HG1 ILE 42 1HG11 ILE 42 -6.822 9.589 -2.095 312 2HG1 ILE 42 2HG12 ILE 42 -8.162 9.387 -0.961 313 1HG2 ILE 42 2HG22 ILE 42 -7.529 6.871 -0.856 314 2HG2 ILE 42 1HG21 ILE 42 -6.392 7.367 -2.121 315 3HG2 ILE 42 3HG23 ILE 42 -5.805 6.465 -0.714 316 1HD1 ILE 42 2HD12 ILE 42 -5.790 11.243 -0.519 317 2HD1 ILE 42 3HD13 ILE 42 -7.304 11.747 -1.276 318 3HD1 ILE 42 1HD11 ILE 42 -7.319 11.226 0.401 319 H ALA 43 HN ALA 43 -4.548 8.222 2.638 320 HA ALA 43 HA ALA 43 -3.845 5.544 2.388 321 1HB ALA 43 1HB ALA 43 -2.394 7.288 3.352 322 2HB ALA 43 3HB ALA 43 -3.355 7.298 4.840 323 3HB ALA 43 2HB ALA 43 -2.480 5.838 4.374 324 HA PRO 44 HA PRO 44 -6.265 4.280 6.356 325 1HB PRO 44 2HB PRO 44 -8.519 5.757 7.049 326 2HB PRO 44 1HB PRO 44 -6.906 5.918 7.798 327 1HG PRO 44 2HG PRO 44 -8.071 7.569 5.551 328 2HG PRO 44 1HG PRO 44 -7.240 8.154 7.022 329 1HD PRO 44 2HD PRO 44 -5.870 7.965 4.743 330 2HD PRO 44 1HD PRO 44 -5.127 7.361 6.242 331 H LEU 45 HN LEU 45 -8.100 5.963 3.797 332 HA LEU 45 HA LEU 45 -10.260 4.054 3.652 333 1HB LEU 45 1HB LEU 45 -9.035 5.709 1.392 334 2HB LEU 45 2HB LEU 45 -10.570 4.868 1.333 335 HG LEU 45 HG LEU 45 -9.854 7.214 3.154 336 1HD1 LEU 45 1HD11 LEU 45 -10.144 7.783 0.755 337 2HD1 LEU 45 2HD12 LEU 45 -11.758 7.042 0.788 338 3HD1 LEU 45 3HD13 LEU 45 -11.417 8.479 1.772 339 1HD2 LEU 45 2HD22 LEU 45 -12.476 5.679 2.865 340 2HD2 LEU 45 1HD21 LEU 45 -11.480 5.821 4.334 341 3HD2 LEU 45 3HD23 LEU 45 -12.304 7.243 3.690 342 H PHE 46 HN PHE 46 -7.211 4.318 1.862 343 HA PHE 46 HA PHE 46 -7.411 1.962 0.297 344 1HB PHE 46 1HB PHE 46 -5.865 3.771 -0.125 345 2HB PHE 46 2HB PHE 46 -5.039 3.514 1.389 346 HD1 PHE 46 HD1 PHE 46 -5.664 2.003 -1.921 347 HD2 PHE 46 HD2 PHE 46 -3.223 1.990 1.612 348 HE1 PHE 46 HE1 PHE 46 -3.948 0.679 -3.116 349 HE2 PHE 46 HE2 PHE 46 -1.485 0.681 0.419 350 HZ PHE 46 HZ PHE 46 -1.807 0.082 -1.974 351 H GLU 47 HN GLU 47 -5.884 2.462 3.542 352 HA GLU 47 HA GLU 47 -5.046 -0.210 3.940 353 1HB GLU 47 1HB GLU 47 -5.790 2.034 5.844 354 2HB GLU 47 2HB GLU 47 -5.120 0.490 6.378 355 1HG GLU 47 1HG GLU 47 -3.084 0.803 5.130 356 2HG GLU 47 2HG GLU 47 -3.711 2.227 4.303 357 H THR 48 HN THR 48 -8.186 1.397 4.691 358 HA THR 48 HA THR 48 -9.355 -0.799 6.068 359 HB THR 48 HB THR 48 -10.755 1.232 4.265 360 HG1 THR 48 HG1 THR 48 -9.513 2.204 5.924 361 1HG2 THR 48 2HG22 THR 48 -11.766 -0.464 6.590 362 2HG2 THR 48 1HG21 THR 48 -12.684 0.806 5.755 363 3HG2 THR 48 3HG23 THR 48 -12.221 -0.666 4.882 364 H LEU 49 HN LEU 49 -9.395 0.046 2.544 365 HA LEU 49 HA LEU 49 -10.763 -2.311 1.691 366 1HB LEU 49 1HB LEU 49 -10.229 -0.238 0.298 367 2HB LEU 49 2HB LEU 49 -8.556 -0.814 0.214 368 HG LEU 49 HG LEU 49 -9.444 -2.942 -0.850 369 1HD1 LEU 49 2HD12 LEU 49 -12.001 -1.281 -0.780 370 2HD1 LEU 49 3HD13 LEU 49 -11.739 -2.524 -2.010 371 3HD1 LEU 49 1HD11 LEU 49 -11.771 -2.964 -0.294 372 1HD2 LEU 49 3HD23 LEU 49 -9.837 -0.274 -2.246 373 2HD2 LEU 49 1HD21 LEU 49 -8.327 -1.188 -2.095 374 3HD2 LEU 49 2HD22 LEU 49 -9.664 -1.861 -3.038 375 H SER 50 HN SER 50 -7.308 -1.631 2.165 376 HA SER 50 HA SER 50 -6.214 -3.930 1.120 377 1HB SER 50 2HB SER 50 -5.227 -2.555 3.647 378 2HB SER 50 1HB SER 50 -4.311 -3.589 2.551 379 HG SER 50 HG SER 50 -5.532 -1.203 1.634 380 H ASN 51 HN ASN 51 -7.483 -3.453 4.405 381 HA ASN 51 HA ASN 51 -6.763 -5.955 5.521 382 1HB ASN 51 1HB ASN 51 -9.034 -4.022 6.090 383 2HB ASN 51 2HB ASN 51 -8.928 -5.579 6.902 384 1HD2 ASN 51 1HD21 ASN 51 -6.070 -2.774 7.822 385 2HD2 ASN 51 2HD22 ASN 51 -6.945 -2.592 6.308 386 H ASP 52 HN ASP 52 -9.364 -5.223 3.183 387 HA ASP 52 HA ASP 52 -10.898 -7.603 3.736 388 1HB ASP 52 2HB ASP 52 -10.757 -5.943 1.174 389 2HB ASP 52 1HB ASP 52 -11.993 -7.123 1.599 390 H TYR 53 HN TYR 53 -8.499 -6.794 1.162 391 HA TYR 53 HA TYR 53 -8.572 -9.579 0.146 392 1HB TYR 53 1HB TYR 53 -7.095 -7.179 -0.839 393 2HB TYR 53 2HB TYR 53 -7.334 -8.727 -1.635 394 HD1 TYR 53 HD1 TYR 53 -8.858 -5.512 -0.726 395 HD2 TYR 53 HD2 TYR 53 -9.385 -9.256 -2.794 396 HE1 TYR 53 HE1 TYR 53 -10.669 -4.525 -2.055 397 HE2 TYR 53 HE2 TYR 53 -11.208 -8.251 -4.130 398 HH TYR 53 HH TYR 53 -12.406 -4.925 -3.518 399 H ALA 54 HN ALA 54 -6.663 -7.727 2.315 400 HA ALA 54 HA ALA 54 -4.188 -8.058 2.427 401 1HB ALA 54 3HB ALA 54 -5.591 -7.576 4.416 402 2HB ALA 54 1HB ALA 54 -5.944 -9.292 4.608 403 3HB ALA 54 2HB ALA 54 -4.283 -8.698 4.822 404 H GLY 55 HN GLY 55 -5.944 -11.031 3.295 405 1HA GLY 55 1HA GLY 55 -3.763 -12.732 3.657 406 2HA GLY 55 2HA GLY 55 -5.365 -13.261 3.105 407 H LYS 56 HN LYS 56 -5.501 -11.999 0.608 408 HA LYS 56 HA LYS 56 -3.766 -13.844 -0.943 409 1HB LYS 56 2HB LYS 56 -6.140 -12.096 -1.709 410 2HB LYS 56 1HB LYS 56 -5.232 -13.160 -2.805 411 1HG LYS 56 1HG LYS 56 -5.979 -15.129 -1.629 412 2HG LYS 56 2HG LYS 56 -6.634 -14.164 -0.303 413 1HD LYS 56 2HD LYS 56 -8.445 -14.944 -1.650 414 2HD LYS 56 1HD LYS 56 -8.358 -13.190 -1.792 415 1HE LYS 56 2HE LYS 56 -7.111 -15.057 -3.865 416 2HE LYS 56 1HE LYS 56 -8.814 -14.610 -3.924 417 1HZ LYS 56 1HZ LYS 56 -6.668 -12.622 -3.948 418 2HZ LYS 56 3HZ LYS 56 -7.379 -13.249 -5.286 419 3HZ LYS 56 2HZ LYS 56 -8.277 -12.380 -4.215 420 H VAL 57 HN VAL 57 -4.808 -10.448 -0.992 421 HA VAL 57 HA VAL 57 -2.849 -9.680 -3.046 422 HB VAL 57 HB VAL 57 -5.167 -8.366 -1.607 423 1HG1 VAL 57 1HG21 VAL 57 -3.714 -6.591 -2.478 424 2HG1 VAL 57 3HG23 VAL 57 -3.858 -7.286 -4.095 425 3HG1 VAL 57 2HG22 VAL 57 -5.293 -6.663 -3.273 426 1HG2 VAL 57 2HG12 VAL 57 -4.938 -9.750 -4.305 427 2HG2 VAL 57 1HG11 VAL 57 -6.009 -10.177 -2.970 428 3HG2 VAL 57 3HG13 VAL 57 -6.304 -8.698 -3.881 429 H ILE 58 HN ILE 58 -1.326 -7.969 -2.838 430 HA ILE 58 HA ILE 58 -0.556 -7.342 0.019 431 HB ILE 58 HB ILE 58 0.994 -7.592 -2.560 432 1HG1 ILE 58 1HG11 ILE 58 0.727 -9.419 -0.880 433 2HG1 ILE 58 2HG12 ILE 58 2.389 -9.026 -1.337 434 1HG2 ILE 58 1HG21 ILE 58 1.878 -5.907 -0.187 435 2HG2 ILE 58 3HG23 ILE 58 2.963 -6.549 -1.441 436 3HG2 ILE 58 2HG22 ILE 58 1.682 -5.421 -1.890 437 1HD1 ILE 58 2HD12 ILE 58 1.084 -8.123 1.271 438 2HD1 ILE 58 3HD13 ILE 58 2.206 -9.478 1.075 439 3HD1 ILE 58 1HD11 ILE 58 2.761 -7.838 0.750 440 H PHE 59 HN PHE 59 -0.225 -5.191 0.660 441 HA PHE 59 HA PHE 59 -1.070 -3.062 -1.234 442 1HB PHE 59 1HB PHE 59 -2.146 -3.456 1.560 443 2HB PHE 59 2HB PHE 59 -2.340 -2.000 0.601 444 HD1 PHE 59 HD2 PHE 59 -3.158 -5.652 0.682 445 HD2 PHE 59 HD1 PHE 59 -4.015 -1.817 -1.104 446 HE1 PHE 59 HE2 PHE 59 -5.214 -6.543 -0.206 447 HE2 PHE 59 HE1 PHE 59 -6.051 -2.761 -2.142 448 HZ PHE 59 HZ PHE 59 -6.708 -5.101 -1.673 449 H LEU 60 HN LEU 60 0.646 -1.779 -1.353 450 HA LEU 60 HA LEU 60 2.401 -1.348 1.052 451 1HB LEU 60 1HB LEU 60 3.060 -1.491 -1.913 452 2HB LEU 60 2HB LEU 60 4.214 -1.085 -0.615 453 HG LEU 60 HG LEU 60 2.813 -3.712 -1.158 454 1HD1 LEU 60 2HD22 LEU 60 4.751 -3.164 -2.597 455 2HD1 LEU 60 1HD21 LEU 60 5.758 -2.936 -1.153 456 3HD1 LEU 60 3HD23 LEU 60 5.104 -4.539 -1.535 457 1HD2 LEU 60 2HD12 LEU 60 4.623 -3.000 1.181 458 2HD2 LEU 60 1HD11 LEU 60 2.940 -3.565 1.274 459 3HD2 LEU 60 3HD13 LEU 60 4.194 -4.659 0.701 460 H LYS 61 HN LYS 61 1.655 0.684 1.805 461 HA LYS 61 HA LYS 61 1.360 2.836 -0.238 462 1HB LYS 61 2HB LYS 61 -0.085 2.920 1.787 463 2HB LYS 61 1HB LYS 61 1.379 3.138 2.765 464 1HG LYS 61 1HG LYS 61 1.959 5.125 1.278 465 2HG LYS 61 2HG LYS 61 0.334 4.993 0.598 466 1HD LYS 61 2HD LYS 61 -0.627 5.280 2.868 467 2HD LYS 61 1HD LYS 61 1.004 5.398 3.554 468 1HE LYS 61 1HE LYS 61 -0.261 7.317 1.543 469 2HE LYS 61 2HE LYS 61 0.043 7.632 3.257 470 1HZ LYS 61 1HZ LYS 61 2.396 7.372 2.817 471 2HZ LYS 61 3HZ LYS 61 2.102 7.176 1.209 472 3HZ LYS 61 2HZ LYS 61 1.744 8.603 1.938 473 H VAL 62 HN VAL 62 3.341 2.936 -1.246 474 HA VAL 62 HA VAL 62 5.842 2.918 0.289 475 HB VAL 62 HB VAL 62 5.188 3.265 -2.653 476 1HG1 VAL 62 1HG11 VAL 62 7.903 3.364 -1.257 477 2HG1 VAL 62 2HG12 VAL 62 7.679 3.130 -3.003 478 3HG1 VAL 62 3HG13 VAL 62 7.183 4.649 -2.252 479 1HG2 VAL 62 1HG21 VAL 62 5.054 0.974 -1.615 480 2HG2 VAL 62 2HG22 VAL 62 6.350 1.123 -2.821 481 3HG2 VAL 62 3HG23 VAL 62 6.740 1.145 -1.089 482 H ASP 63 HN ASP 63 6.465 4.673 1.385 483 HA ASP 63 HA ASP 63 5.378 7.285 0.952 484 1HB ASP 63 1HB ASP 63 6.249 6.664 3.123 485 2HB ASP 63 2HB ASP 63 7.869 6.420 2.448 486 H VAL 64 HN VAL 64 5.654 8.102 -1.045 487 HA VAL 64 HA VAL 64 7.855 7.877 -2.802 488 HB VAL 64 HB VAL 64 5.735 10.030 -2.427 489 1HG1 VAL 64 2HG22 VAL 64 7.730 9.762 -4.714 490 2HG1 VAL 64 1HG21 VAL 64 6.257 10.753 -4.763 491 3HG1 VAL 64 3HG23 VAL 64 7.542 11.153 -3.621 492 1HG2 VAL 64 2HG12 VAL 64 5.029 7.709 -3.108 493 2HG2 VAL 64 1HG11 VAL 64 4.670 8.949 -4.326 494 3HG2 VAL 64 3HG13 VAL 64 6.066 7.863 -4.535 495 H ASP 65 HN ASP 65 7.390 10.019 -0.004 496 HA ASP 65 HA ASP 65 9.444 11.908 -0.670 497 1HB ASP 65 1HB ASP 65 7.580 12.185 1.024 498 2HB ASP 65 2HB ASP 65 8.463 11.081 2.095 499 H ALA 66 HN ALA 66 9.473 8.637 0.643 500 HA ALA 66 HA ALA 66 12.305 8.882 1.536 501 1HB ALA 66 1HB ALA 66 10.235 6.692 1.953 502 2HB ALA 66 3HB ALA 66 11.896 6.705 2.583 503 3HB ALA 66 2HB ALA 66 10.728 7.922 3.137 504 H VAL 67 HN VAL 67 10.269 6.476 -0.296 505 HA VAL 67 HA VAL 67 12.790 5.470 -1.499 506 HB VAL 67 HB VAL 67 10.017 4.371 -2.021 507 1HG1 VAL 67 3HG23 VAL 67 12.049 3.678 -3.411 508 2HG1 VAL 67 1HG21 VAL 67 12.790 3.072 -1.931 509 3HG1 VAL 67 2HG22 VAL 67 11.279 2.347 -2.518 510 1HG2 VAL 67 3HG13 VAL 67 11.945 3.679 0.241 511 2HG2 VAL 67 1HG11 VAL 67 10.285 4.298 0.416 512 3HG2 VAL 67 2HG12 VAL 67 10.560 2.682 -0.251 513 H ALA 68 HN ALA 68 12.791 7.827 -2.335 514 HA ALA 68 HA ALA 68 11.279 8.677 -4.540 515 1HB ALA 68 2HB ALA 68 12.867 10.105 -3.318 516 2HB ALA 68 1HB ALA 68 14.236 9.160 -3.945 517 3HB ALA 68 3HB ALA 68 13.228 10.111 -5.056 518 H ALA 69 HN ALA 69 14.222 6.647 -4.475 519 HA ALA 69 HA ALA 69 14.772 6.434 -7.196 520 1HB ALA 69 2HB ALA 69 15.061 4.305 -5.027 521 2HB ALA 69 1HB ALA 69 15.879 4.305 -6.604 522 3HB ALA 69 3HB ALA 69 16.235 5.579 -5.423 523 H VAL 70 HN VAL 70 12.692 4.185 -5.279 524 HA VAL 70 HA VAL 70 11.956 2.603 -7.572 525 HB VAL 70 HB VAL 70 10.532 2.929 -4.894 526 1HG1 VAL 70 3HG23 VAL 70 10.280 0.733 -6.993 527 2HG1 VAL 70 2HG22 VAL 70 9.520 0.745 -5.388 528 3HG1 VAL 70 1HG21 VAL 70 9.034 1.931 -6.604 529 1HG2 VAL 70 1HG11 VAL 70 12.909 2.067 -4.740 530 2HG2 VAL 70 3HG13 VAL 70 11.710 0.826 -4.328 531 3HG2 VAL 70 2HG12 VAL 70 12.489 0.822 -5.927 532 H ALA 71 HN ALA 71 10.412 5.318 -5.831 533 HA ALA 71 HA ALA 71 8.022 5.439 -7.331 534 1HB ALA 71 3HB ALA 71 8.472 6.754 -5.284 535 2HB ALA 71 2HB ALA 71 9.607 7.782 -6.182 536 3HB ALA 71 1HB ALA 71 7.887 7.781 -6.603 537 H GLU 72 HN GLU 72 11.086 7.269 -8.055 538 HA GLU 72 HA GLU 72 10.000 8.327 -10.499 539 1HB GLU 72 1HB GLU 72 12.173 9.187 -10.945 540 2HB GLU 72 2HB GLU 72 11.819 9.392 -9.227 541 1HG GLU 72 2HG GLU 72 13.220 7.308 -8.809 542 2HG GLU 72 1HG GLU 72 13.714 7.370 -10.504 543 H ALA 73 HN ALA 73 12.045 5.418 -9.813 544 HA ALA 73 HA ALA 73 12.479 4.699 -12.526 545 1HB ALA 73 2HB ALA 73 13.671 3.669 -10.631 546 2HB ALA 73 3HB ALA 73 12.162 2.914 -10.071 547 3HB ALA 73 1HB ALA 73 12.874 2.433 -11.624 548 H ALA 74 HN ALA 74 9.822 3.853 -10.285 549 HA ALA 74 HA ALA 74 8.333 2.207 -12.091 550 1HB ALA 74 3HB ALA 74 7.590 3.741 -9.575 551 2HB ALA 74 2HB ALA 74 6.484 2.651 -10.435 552 3HB ALA 74 1HB ALA 74 7.984 2.025 -9.730 553 H GLY 75 HN GLY 75 8.439 5.688 -11.475 554 1HA GLY 75 1HA GLY 75 8.076 7.261 -13.236 555 2HA GLY 75 2HA GLY 75 6.911 6.167 -13.996 556 H ILE 76 HN ILE 76 7.244 7.366 -10.624 557 HA ILE 76 HA ILE 76 4.372 8.029 -10.543 558 HB ILE 76 HB ILE 76 6.652 7.910 -8.557 559 1HG1 ILE 76 2HG12 ILE 76 5.481 6.177 -7.554 560 2HG1 ILE 76 1HG11 ILE 76 3.925 6.643 -8.255 561 1HG2 ILE 76 1HG21 ILE 76 3.887 9.090 -8.066 562 2HG2 ILE 76 2HG22 ILE 76 4.991 8.551 -6.786 563 3HG2 ILE 76 3HG23 ILE 76 5.458 9.889 -7.832 564 1HD1 ILE 76 3HD13 ILE 76 6.180 5.372 -9.816 565 2HD1 ILE 76 1HD11 ILE 76 4.777 4.525 -9.168 566 3HD1 ILE 76 2HD12 ILE 76 4.549 5.739 -10.421 567 H THR 77 HN THR 77 3.534 10.053 -10.622 568 HA THR 77 HA THR 77 5.311 12.431 -10.443 569 HB THR 77 HB THR 77 4.114 13.341 -12.460 570 HG1 THR 77 HG1 THR 77 3.199 11.620 -13.827 571 1HG2 THR 77 3HG23 THR 77 6.409 12.315 -12.627 572 2HG2 THR 77 1HG21 THR 77 5.650 10.774 -13.081 573 3HG2 THR 77 2HG22 THR 77 5.465 12.195 -14.122 574 H ALA 78 HN ALA 78 1.973 11.901 -11.434 575 HA ALA 78 HA ALA 78 0.925 13.923 -9.638 576 1HB ALA 78 1HB ALA 78 -0.457 11.843 -11.384 577 2HB ALA 78 3HB ALA 78 -1.257 13.212 -10.580 578 3HB ALA 78 2HB ALA 78 -0.047 13.508 -11.844 579 H MET 79 HN MET 79 1.932 12.866 -7.672 580 HA MET 79 HA MET 79 0.765 10.516 -6.575 581 1HB MET 79 1HB MET 79 1.754 11.059 -4.525 582 2HB MET 79 2HB MET 79 2.889 11.491 -5.800 583 1HG MET 79 1HG MET 79 1.152 13.434 -4.211 584 2HG MET 79 2HG MET 79 2.845 13.073 -3.918 585 1HE MET 79 1HE MET 79 1.676 15.965 -4.118 586 2HE MET 79 3HE MET 79 1.791 16.750 -5.712 587 3HE MET 79 2HE MET 79 0.501 15.568 -5.398 588 HA PRO 80 HA PRO 80 -0.507 9.611 -4.518 589 1HB PRO 80 1HB PRO 80 -3.436 9.190 -5.162 590 2HB PRO 80 2HB PRO 80 -2.506 8.554 -3.791 591 1HG PRO 80 1HG PRO 80 -4.145 10.695 -3.451 592 2HG PRO 80 2HG PRO 80 -2.481 10.791 -2.788 593 1HD PRO 80 2HD PRO 80 -3.466 11.821 -5.486 594 2HD PRO 80 1HD PRO 80 -2.581 12.723 -4.238 595 H THR 81 HN THR 81 0.324 8.020 -5.833 596 HA THR 81 HA THR 81 -0.992 7.532 -8.485 597 HB THR 81 HB THR 81 1.934 7.652 -7.756 598 HG1 THR 81 HG1 THR 81 0.321 9.481 -8.669 599 1HG2 THR 81 3HG23 THR 81 0.554 6.638 -10.289 600 2HG2 THR 81 2HG22 THR 81 2.267 7.085 -10.217 601 3HG2 THR 81 1HG21 THR 81 1.673 5.740 -9.235 602 H PHE 82 HN PHE 82 -2.142 5.762 -8.151 603 HA PHE 82 HA PHE 82 -1.160 3.647 -6.389 604 1HB PHE 82 2HB PHE 82 -3.737 3.999 -7.954 605 2HB PHE 82 1HB PHE 82 -3.345 2.587 -6.983 606 HD1 PHE 82 HD1 PHE 82 -3.164 2.708 -4.536 607 HD2 PHE 82 HD2 PHE 82 -4.296 6.170 -6.859 608 HE1 PHE 82 HE1 PHE 82 -3.933 3.877 -2.471 609 HE2 PHE 82 HE2 PHE 82 -4.902 7.358 -4.773 610 HZ PHE 82 HZ PHE 82 -4.502 6.222 -2.551 611 H HIS 83 HN HIS 83 -0.263 1.724 -7.209 612 HA HIS 83 HA HIS 83 -0.397 1.234 -10.178 613 1HB HIS 83 2HB HIS 83 1.961 1.026 -8.335 614 2HB HIS 83 1HB HIS 83 1.802 0.075 -9.818 615 HD2 HIS 83 HD2 HIS 83 0.736 3.728 -10.400 616 HE1 HIS 83 HE1 HIS 83 4.637 3.193 -11.905 617 HE2 HIS 83 HE2 HIS 83 2.631 4.757 -11.869 618 H VAL 84 HN VAL 84 -0.589 -0.988 -10.711 619 HA VAL 84 HA VAL 84 -0.993 -2.869 -8.420 620 HB VAL 84 HB VAL 84 -2.490 -3.032 -11.059 621 1HG1 VAL 84 2HG22 VAL 84 -2.221 -5.114 -9.744 622 2HG1 VAL 84 1HG21 VAL 84 -2.897 -4.302 -8.316 623 3HG1 VAL 84 3HG23 VAL 84 -3.907 -4.575 -9.748 624 1HG2 VAL 84 3HG13 VAL 84 -3.510 -1.798 -8.478 625 2HG2 VAL 84 2HG12 VAL 84 -3.289 -0.966 -10.039 626 3HG2 VAL 84 1HG11 VAL 84 -4.500 -2.243 -9.886 627 H TYR 85 HN TYR 85 0.756 -4.278 -8.516 628 HA TYR 85 HA TYR 85 1.662 -5.082 -11.260 629 1HB TYR 85 1HB TYR 85 3.388 -5.239 -8.770 630 2HB TYR 85 2HB TYR 85 3.779 -5.697 -10.392 631 HD1 TYR 85 HD1 TYR 85 2.645 -2.649 -8.478 632 HD2 TYR 85 HD2 TYR 85 5.296 -4.291 -11.452 633 HE1 TYR 85 HE1 TYR 85 3.768 -0.453 -8.721 634 HE2 TYR 85 HE2 TYR 85 6.369 -2.080 -11.715 635 HH TYR 85 HH TYR 85 4.937 0.824 -10.359 636 H LYS 86 HN LYS 86 1.270 -7.214 -11.733 637 HA LYS 86 HA LYS 86 0.085 -8.893 -9.562 638 1HB LYS 86 1HB LYS 86 0.274 -9.279 -12.565 639 2HB LYS 86 2HB LYS 86 -0.303 -10.505 -11.415 640 1HG LYS 86 1HG LYS 86 -2.022 -8.896 -10.558 641 2HG LYS 86 2HG LYS 86 -1.458 -7.692 -11.714 642 1HD LYS 86 1HD LYS 86 -3.433 -8.648 -12.611 643 2HD LYS 86 2HD LYS 86 -2.093 -9.282 -13.583 644 1HE LYS 86 2HE LYS 86 -2.188 -11.425 -12.344 645 2HE LYS 86 1HE LYS 86 -3.401 -10.760 -11.236 646 1HZ LYS 86 2HZ LYS 86 -3.766 -11.168 -14.116 647 2HZ LYS 86 1HZ LYS 86 -4.378 -12.110 -12.908 648 3HZ LYS 86 3HZ LYS 86 -4.890 -10.554 -13.075 649 H ASP 87 HN ASP 87 1.509 -9.851 -8.333 650 HA ASP 87 HA ASP 87 3.280 -10.915 -7.480 651 1HB ASP 87 2HB ASP 87 3.097 -12.527 -9.375 652 2HB ASP 87 1HB ASP 87 4.174 -11.536 -10.348 653 H GLY 88 HN GLY 88 4.430 -9.436 -10.400 654 1HA GLY 88 1HA GLY 88 5.740 -7.168 -9.124 655 2HA GLY 88 2HA GLY 88 6.898 -8.390 -9.692 656 H VAL 89 HN VAL 89 4.093 -8.388 -11.722 657 HA VAL 89 HA VAL 89 5.574 -6.867 -13.807 658 HB VAL 89 HB VAL 89 3.241 -8.820 -14.009 659 1HG1 VAL 89 1HG21 VAL 89 5.052 -7.588 -16.137 660 2HG1 VAL 89 2HG22 VAL 89 3.806 -8.820 -16.420 661 3HG1 VAL 89 3HG23 VAL 89 3.336 -7.203 -15.883 662 1HG2 VAL 89 1HG11 VAL 89 6.218 -9.249 -14.505 663 2HG2 VAL 89 3HG13 VAL 89 5.232 -10.030 -13.248 664 3HG2 VAL 89 2HG12 VAL 89 4.929 -10.388 -14.950 665 H LYS 90 HN LYS 90 4.864 -4.762 -14.036 666 HA LYS 90 HA LYS 90 2.634 -3.667 -12.704 667 1HB LYS 90 2HB LYS 90 4.616 -2.419 -13.687 668 2HB LYS 90 1HB LYS 90 3.826 -2.554 -15.267 669 1HG LYS 90 1HG LYS 90 1.765 -1.473 -14.211 670 2HG LYS 90 2HG LYS 90 2.714 -1.209 -12.746 671 1HD LYS 90 1HD LYS 90 3.340 -0.078 -15.519 672 2HD LYS 90 2HD LYS 90 2.529 0.782 -14.208 673 1HE LYS 90 1HE LYS 90 4.558 0.544 -12.797 674 2HE LYS 90 2HE LYS 90 5.401 -0.263 -14.131 675 1HZ LYS 90 2HZ LYS 90 4.280 2.446 -14.252 676 2HZ LYS 90 1HZ LYS 90 5.864 2.107 -13.992 677 3HZ LYS 90 3HZ LYS 90 5.159 1.699 -15.426 678 H ALA 91 HN ALA 91 0.579 -4.259 -12.998 679 HA ALA 91 HA ALA 91 -0.384 -5.176 -15.658 680 1HB ALA 91 3HB ALA 91 -0.626 -6.699 -13.733 681 2HB ALA 91 1HB ALA 91 -1.573 -5.461 -12.870 682 3HB ALA 91 2HB ALA 91 -2.200 -6.185 -14.368 683 H ASP 92 HN ASP 92 -0.862 -2.683 -13.158 684 HA ASP 92 HA ASP 92 -2.430 -1.105 -15.060 685 1HB ASP 92 2HB ASP 92 -3.895 -2.904 -13.717 686 2HB ASP 92 1HB ASP 92 -3.845 -1.689 -12.442 687 H ASP 93 HN ASP 93 -3.286 0.955 -13.825 688 HA ASP 93 HA ASP 93 -1.959 1.744 -11.464 689 1HB ASP 93 2HB ASP 93 -0.623 3.630 -12.370 690 2HB ASP 93 1HB ASP 93 0.027 2.073 -12.835 691 H LEU 94 HN LEU 94 -2.392 4.056 -11.044 692 HA LEU 94 HA LEU 94 -4.658 5.334 -12.398 693 1HB LEU 94 1HB LEU 94 -5.851 3.517 -11.376 694 2HB LEU 94 2HB LEU 94 -4.926 3.648 -9.890 695 HG LEU 94 HG LEU 94 -6.066 5.882 -9.443 696 1HD1 LEU 94 3HD23 LEU 94 -7.595 5.025 -11.937 697 2HD1 LEU 94 2HD22 LEU 94 -8.144 6.292 -10.822 698 3HD1 LEU 94 1HD21 LEU 94 -6.646 6.514 -11.737 699 1HD2 LEU 94 3HD13 LEU 94 -7.828 3.439 -9.852 700 2HD2 LEU 94 1HD11 LEU 94 -6.817 3.798 -8.436 701 3HD2 LEU 94 2HD12 LEU 94 -8.194 4.833 -8.819 702 H VAL 95 HN VAL 95 -4.261 7.497 -12.062 703 HA VAL 95 HA VAL 95 -2.652 8.318 -9.719 704 HB VAL 95 HB VAL 95 -2.388 10.427 -10.939 705 1HG1 VAL 95 3HG13 VAL 95 -0.737 8.625 -11.182 706 2HG1 VAL 95 2HG12 VAL 95 -1.629 7.967 -12.572 707 3HG1 VAL 95 1HG11 VAL 95 -0.881 9.572 -12.672 708 1HG2 VAL 95 1HG21 VAL 95 -4.494 10.403 -12.281 709 2HG2 VAL 95 2HG22 VAL 95 -3.048 10.672 -13.262 710 3HG2 VAL 95 3HG23 VAL 95 -3.830 9.086 -13.273 711 H GLY 96 HN GLY 96 -3.236 10.189 -8.512 712 1HA GLY 96 1HA GLY 96 -4.592 11.898 -7.713 713 2HA GLY 96 2HA GLY 96 -5.904 11.400 -8.801 714 H ALA 97 HN ALA 97 -6.726 11.984 -6.379 715 HA ALA 97 HA ALA 97 -6.716 9.745 -4.503 716 1HB ALA 97 3HB ALA 97 -8.348 12.323 -4.650 717 2HB ALA 97 2HB ALA 97 -8.320 11.206 -3.277 718 3HB ALA 97 1HB ALA 97 -6.842 12.082 -3.734 719 H SER 98 HN SER 98 -7.502 8.809 -6.995 720 HA SER 98 HA SER 98 -10.376 8.781 -7.368 721 1HB SER 98 1HB SER 98 -8.158 7.117 -8.611 722 2HB SER 98 2HB SER 98 -9.756 7.479 -9.311 723 HG SER 98 HG SER 98 -7.517 8.866 -9.621 724 H GLN 99 HN GLN 99 -10.163 7.974 -4.844 725 HA GLN 99 HA GLN 99 -9.481 5.331 -4.239 726 1HB GLN 99 2HB GLN 99 -10.827 5.611 -2.220 727 2HB GLN 99 1HB GLN 99 -9.822 7.006 -2.584 728 1HG GLN 99 1HG GLN 99 -11.752 8.035 -1.905 729 2HG GLN 99 2HG GLN 99 -11.965 8.069 -3.651 730 1HE2 GLN 99 1HE21 GLN 99 -14.279 5.507 -1.356 731 2HE2 GLN 99 2HE22 GLN 99 -12.656 5.907 -0.807 732 H ASP 100 HN ASP 100 -12.518 6.486 -5.682 733 HA ASP 100 HA ASP 100 -14.033 4.084 -5.348 734 1HB ASP 100 2HB ASP 100 -15.454 5.022 -7.092 735 2HB ASP 100 1HB ASP 100 -15.037 6.268 -5.914 736 H LYS 101 HN LYS 101 -12.031 5.338 -8.050 737 HA LYS 101 HA LYS 101 -12.367 2.947 -9.629 738 1HB LYS 101 1HB LYS 101 -11.862 5.198 -10.541 739 2HB LYS 101 2HB LYS 101 -10.228 5.103 -9.873 740 1HG LYS 101 2HG LYS 101 -9.681 3.217 -11.291 741 2HG LYS 101 1HG LYS 101 -11.374 2.983 -11.751 742 1HD LYS 101 1HD LYS 101 -11.425 5.045 -13.008 743 2HD LYS 101 2HD LYS 101 -9.817 5.509 -12.436 744 1HE LYS 101 2HE LYS 101 -8.847 3.489 -13.571 745 2HE LYS 101 1HE LYS 101 -10.463 3.069 -14.167 746 1HZ LYS 101 1HZ LYS 101 -10.490 5.142 -15.354 747 2HZ LYS 101 2HZ LYS 101 -8.989 5.531 -14.795 748 3HZ LYS 101 3HZ LYS 101 -9.187 4.236 -15.794 749 H LEU 102 HN LEU 102 -10.010 4.001 -7.170 750 HA LEU 102 HA LEU 102 -8.091 1.976 -7.549 751 1HB LEU 102 2HB LEU 102 -7.967 3.964 -5.953 752 2HB LEU 102 1HB LEU 102 -9.013 3.108 -4.847 753 HG LEU 102 HG LEU 102 -6.497 3.144 -4.445 754 1HD1 LEU 102 2HD12 LEU 102 -8.094 0.576 -4.257 755 2HD1 LEU 102 3HD13 LEU 102 -6.505 0.803 -3.537 756 3HD1 LEU 102 1HD11 LEU 102 -7.856 1.837 -3.032 757 1HD2 LEU 102 2HD22 LEU 102 -5.806 2.487 -6.727 758 2HD2 LEU 102 3HD23 LEU 102 -5.126 1.453 -5.460 759 3HD2 LEU 102 1HD21 LEU 102 -6.466 0.857 -6.446 760 H LYS 103 HN LYS 103 -10.938 2.042 -5.368 761 HA LYS 103 HA LYS 103 -10.898 -0.618 -4.486 762 1HB LYS 103 2HB LYS 103 -13.196 1.292 -5.066 763 2HB LYS 103 1HB LYS 103 -13.422 -0.288 -4.318 764 1HG LYS 103 1HG LYS 103 -12.055 0.277 -2.444 765 2HG LYS 103 2HG LYS 103 -11.520 1.796 -3.174 766 1HD LYS 103 2HD LYS 103 -13.875 2.619 -3.151 767 2HD LYS 103 1HD LYS 103 -14.384 1.128 -2.339 768 1HE LYS 103 1HE LYS 103 -12.387 3.185 -1.264 769 2HE LYS 103 2HE LYS 103 -14.072 3.006 -0.745 770 1HZ LYS 103 1HZ LYS 103 -13.537 0.798 0.014 771 2HZ LYS 103 3HZ LYS 103 -11.962 0.993 -0.430 772 3HZ LYS 103 2HZ LYS 103 -12.601 1.929 0.761 773 H ALA 104 HN ALA 104 -12.553 0.676 -7.417 774 HA ALA 104 HA ALA 104 -13.561 -1.779 -8.351 775 1HB ALA 104 2HB ALA 104 -14.151 0.452 -9.271 776 2HB ALA 104 3HB ALA 104 -12.549 0.557 -10.034 777 3HB ALA 104 1HB ALA 104 -13.690 -0.702 -10.539 778 H LEU 105 HN LEU 105 -10.360 -0.275 -9.158 779 HA LEU 105 HA LEU 105 -9.533 -2.415 -10.876 780 1HB LEU 105 1HB LEU 105 -7.926 -0.394 -9.254 781 2HB LEU 105 2HB LEU 105 -7.212 -1.545 -10.386 782 HG LEU 105 HG LEU 105 -9.149 0.691 -11.106 783 1HD1 LEU 105 1HD11 LEU 105 -6.802 1.346 -10.578 784 2HD1 LEU 105 2HD12 LEU 105 -6.221 0.205 -11.806 785 3HD1 LEU 105 3HD13 LEU 105 -7.204 1.602 -12.288 786 1HD2 LEU 105 2HD22 LEU 105 -7.960 -1.528 -12.807 787 2HD2 LEU 105 1HD21 LEU 105 -9.672 -1.077 -12.639 788 3HD2 LEU 105 3HD23 LEU 105 -8.561 0.000 -13.487 789 H VAL 106 HN VAL 106 -8.931 -1.860 -7.352 790 HA VAL 106 HA VAL 106 -7.322 -4.176 -6.999 791 HB VAL 106 HB VAL 106 -9.265 -2.804 -5.099 792 1HG1 VAL 106 3HG23 VAL 106 -8.801 -5.139 -4.327 793 2HG1 VAL 106 2HG22 VAL 106 -7.063 -4.834 -4.471 794 3HG1 VAL 106 1HG21 VAL 106 -8.037 -3.937 -3.285 795 1HG2 VAL 106 1HG11 VAL 106 -7.320 -1.423 -5.905 796 2HG2 VAL 106 3HG13 VAL 106 -7.195 -1.808 -4.181 797 3HG2 VAL 106 2HG12 VAL 106 -6.230 -2.702 -5.381 798 H ALA 107 HN ALA 107 -10.841 -3.770 -6.682 799 HA ALA 107 HA ALA 107 -11.510 -6.458 -6.138 800 1HB ALA 107 2HB ALA 107 -13.131 -4.568 -6.054 801 2HB ALA 107 3HB ALA 107 -13.119 -4.480 -7.826 802 3HB ALA 107 1HB ALA 107 -13.742 -5.929 -7.016 803 H LYS 108 HN LYS 108 -11.263 -4.911 -9.371 804 HA LYS 108 HA LYS 108 -11.795 -7.166 -10.971 805 1HB LYS 108 1HB LYS 108 -11.631 -4.930 -11.836 806 2HB LYS 108 2HB LYS 108 -9.957 -4.757 -11.362 807 1HG LYS 108 2HG LYS 108 -9.267 -6.512 -12.992 808 2HG LYS 108 1HG LYS 108 -10.951 -6.618 -13.542 809 1HD LYS 108 2HD LYS 108 -9.123 -4.160 -13.605 810 2HD LYS 108 1HD LYS 108 -9.491 -5.213 -14.976 811 1HE LYS 108 1HE LYS 108 -11.920 -4.583 -14.765 812 2HE LYS 108 2HE LYS 108 -11.477 -3.425 -13.492 813 1HZ LYS 108 2HZ LYS 108 -10.073 -2.319 -15.060 814 2HZ LYS 108 3HZ LYS 108 -10.492 -3.379 -16.251 815 3HZ LYS 108 1HZ LYS 108 -11.628 -2.377 -15.603 816 H HIS 109 HN HIS 109 -8.596 -5.869 -10.182 817 HA HIS 109 HA HIS 109 -7.136 -8.049 -11.308 818 1HB HIS 109 1HB HIS 109 -6.375 -5.861 -9.336 819 2HB HIS 109 2HB HIS 109 -5.227 -7.056 -9.957 820 HD2 HIS 109 HD2 HIS 109 -7.278 -3.987 -11.373 821 HE1 HIS 109 HE1 HIS 109 -4.538 -5.279 -14.279 822 HE2 HIS 109 HE2 HIS 109 -6.199 -3.456 -13.682 823 H ALA 110 HN ALA 110 -8.431 -7.636 -8.017 824 HA ALA 110 HA ALA 110 -6.897 -9.812 -6.881 825 1HB ALA 110 2HB ALA 110 -7.811 -7.942 -5.544 826 2HB ALA 110 1HB ALA 110 -9.462 -8.475 -5.945 827 3HB ALA 110 3HB ALA 110 -8.399 -9.516 -4.977 828 H ALA 111 HN ALA 111 -9.418 -9.993 -9.198 829 HA ALA 111 HA ALA 111 -10.813 -12.256 -8.000 830 1HB ALA 111 2HB ALA 111 -11.871 -10.659 -9.574 831 2HB ALA 111 3HB ALA 111 -10.779 -11.215 -10.861 832 3HB ALA 111 1HB ALA 111 -11.961 -12.334 -10.150 833 H ALA 112 HN ALA 112 -8.196 -13.042 -7.691 834 HA ALA 112 HA ALA 112 -8.027 -15.485 -9.092 835 1HB ALA 112 3HB ALA 112 -7.198 -14.047 -10.980 836 2HB ALA 112 2HB ALA 112 -5.981 -13.352 -9.884 837 3HB ALA 112 1HB ALA 112 -5.930 -15.079 -10.312 No H/Q in entry = 837 Start of MODEL 22 1 1H GLY 1 2HN GLY 1 0.572 -13.555 2.795 2 2H GLY 1 1HN GLY 1 -0.649 -13.493 1.684 3 3H GLY 1 3HN GLY 1 0.984 -13.581 1.177 4 1HA GLY 1 1HA GLY 1 1.393 -11.433 1.853 5 2HA GLY 1 2HA GLY 1 -0.236 -11.363 1.129 6 H GLY 2 HN GLY 2 -1.095 -9.719 2.539 7 1HA GLY 2 1HA GLY 2 -2.465 -9.322 4.421 8 2HA GLY 2 2HA GLY 2 -1.590 -10.550 5.354 9 H SER 3 HN SER 3 0.765 -8.714 3.749 10 HA SER 3 HA SER 3 1.555 -7.328 6.072 11 1HB SER 3 1HB SER 3 2.703 -6.582 3.412 12 2HB SER 3 2HB SER 3 3.480 -7.099 4.908 13 HG SER 3 HG SER 3 3.637 -8.688 3.263 14 H VAL 4 HN VAL 4 -0.728 -6.317 6.199 15 HA VAL 4 HA VAL 4 -1.227 -3.887 4.621 16 HB VAL 4 HB VAL 4 -2.498 -5.093 7.127 17 1HG1 VAL 4 2HG22 VAL 4 -3.081 -2.550 5.601 18 2HG1 VAL 4 1HG21 VAL 4 -4.379 -3.433 6.457 19 3HG1 VAL 4 3HG23 VAL 4 -2.996 -2.802 7.343 20 1HG2 VAL 4 2HG12 VAL 4 -3.372 -5.052 4.209 21 2HG2 VAL 4 3HG13 VAL 4 -2.865 -6.464 5.149 22 3HG2 VAL 4 1HG11 VAL 4 -4.346 -5.610 5.584 23 H ILE 5 HN ILE 5 0.805 -2.751 5.010 24 HA ILE 5 HA ILE 5 0.932 -1.447 7.673 25 HB ILE 5 HB ILE 5 3.367 -1.842 7.841 26 1HG1 ILE 5 2HG12 ILE 5 3.143 -4.085 5.803 27 2HG1 ILE 5 1HG11 ILE 5 3.555 -2.454 5.285 28 1HG2 ILE 5 1HG21 ILE 5 1.745 -3.284 9.075 29 2HG2 ILE 5 2HG22 ILE 5 1.862 -4.491 7.774 30 3HG2 ILE 5 3HG23 ILE 5 3.285 -4.079 8.740 31 1HD1 ILE 5 3HD13 ILE 5 5.435 -2.417 6.957 32 2HD1 ILE 5 1HD11 ILE 5 5.100 -4.130 7.301 33 3HD1 ILE 5 2HD12 ILE 5 5.621 -3.628 5.685 34 H VAL 6 HN VAL 6 2.607 0.245 7.729 35 HA VAL 6 HA VAL 6 2.903 1.619 5.161 36 HB VAL 6 HB VAL 6 1.291 2.814 6.614 37 1HG1 VAL 6 3HG23 VAL 6 2.041 2.014 8.838 38 2HG1 VAL 6 2HG22 VAL 6 3.514 3.000 8.691 39 3HG1 VAL 6 1HG21 VAL 6 1.925 3.776 8.759 40 1HG2 VAL 6 1HG11 VAL 6 2.840 4.111 5.168 41 2HG2 VAL 6 3HG13 VAL 6 2.365 4.998 6.630 42 3HG2 VAL 6 2HG12 VAL 6 3.973 4.255 6.529 43 H ILE 7 HN ILE 7 4.975 2.215 4.614 44 HA ILE 7 HA ILE 7 7.030 2.053 6.668 45 HB ILE 7 HB ILE 7 6.472 -0.341 5.953 46 1HG1 ILE 7 2HG12 ILE 7 9.344 0.011 5.265 47 2HG1 ILE 7 1HG11 ILE 7 8.832 0.721 6.804 48 1HG2 ILE 7 3HG23 ILE 7 6.177 0.104 3.526 49 2HG2 ILE 7 2HG22 ILE 7 7.912 0.453 3.376 50 3HG2 ILE 7 1HG21 ILE 7 7.368 -1.168 3.842 51 1HD1 ILE 7 3HD13 ILE 7 8.196 -2.138 6.032 52 2HD1 ILE 7 2HD12 ILE 7 9.578 -1.636 7.040 53 3HD1 ILE 7 1HD11 ILE 7 7.918 -1.347 7.594 54 H ASP 8 HN ASP 8 9.157 2.540 5.861 55 HA ASP 8 HA ASP 8 9.117 4.422 3.566 56 1HB ASP 8 1HB ASP 8 10.464 5.859 5.065 57 2HB ASP 8 2HB ASP 8 9.013 5.382 5.943 58 H SER 9 HN SER 9 10.242 1.477 4.116 59 HA SER 9 HA SER 9 13.073 2.062 3.299 60 1HB SER 9 1HB SER 9 12.046 -0.189 5.034 61 2HB SER 9 2HB SER 9 13.723 0.121 4.542 62 HG SER 9 HG SER 9 12.136 1.977 6.053 63 H LYS 10 HN LYS 10 13.263 1.570 1.243 64 HA LYS 10 HA LYS 10 11.813 -0.047 -0.428 65 1HB LYS 10 2HB LYS 10 13.825 -0.135 -1.784 66 2HB LYS 10 1HB LYS 10 13.534 1.485 -1.088 67 1HG LYS 10 1HG LYS 10 15.311 0.961 0.646 68 2HG LYS 10 2HG LYS 10 15.679 -0.519 -0.258 69 1HD LYS 10 2HD LYS 10 15.847 2.324 -1.347 70 2HD LYS 10 1HD LYS 10 17.203 1.338 -0.782 71 1HE LYS 10 2HE LYS 10 16.645 -0.376 -2.549 72 2HE LYS 10 1HE LYS 10 15.415 0.734 -3.185 73 1HZ LYS 10 2HZ LYS 10 17.143 2.337 -3.552 74 2HZ LYS 10 3HZ LYS 10 18.284 1.297 -2.975 75 3HZ LYS 10 1HZ LYS 10 17.460 0.933 -4.353 76 H ALA 11 HN ALA 11 14.456 -0.989 1.653 77 HA ALA 11 HA ALA 11 14.846 -3.679 0.945 78 1HB ALA 11 2HB ALA 11 16.288 -2.452 2.532 79 2HB ALA 11 1HB ALA 11 14.976 -2.437 3.734 80 3HB ALA 11 3HB ALA 11 15.716 -3.974 3.240 81 H ALA 12 HN ALA 12 12.314 -2.273 3.081 82 HA ALA 12 HA ALA 12 11.348 -4.881 3.972 83 1HB ALA 12 1HB ALA 12 11.074 -2.822 5.332 84 2HB ALA 12 3HB ALA 12 9.999 -2.152 4.079 85 3HB ALA 12 2HB ALA 12 9.538 -3.629 4.954 86 H TRP 13 HN TRP 13 10.549 -2.482 1.467 87 HA TRP 13 HA TRP 13 8.162 -3.680 0.436 88 1HB TRP 13 2HB TRP 13 8.431 -1.648 -0.492 89 2HB TRP 13 1HB TRP 13 10.165 -1.669 -0.410 90 HD1 TRP 13 HD1 TRP 13 11.444 -3.086 -2.484 91 HE1 TRP 13 HE1 TRP 13 10.902 -3.019 -4.981 92 HE3 TRP 13 HE3 TRP 13 6.687 -1.197 -2.246 93 HZ2 TRP 13 HZ2 TRP 13 8.781 -2.172 -6.655 94 HZ3 TRP 13 HZ3 TRP 13 5.523 -0.596 -4.330 95 HH2 TRP 13 HH2 TRP 13 6.504 -1.141 -6.546 96 H ASP 14 HN ASP 14 11.595 -4.114 -0.433 97 HA ASP 14 HA ASP 14 11.281 -6.146 -2.361 98 1HB ASP 14 2HB ASP 14 13.358 -4.795 -1.838 99 2HB ASP 14 1HB ASP 14 13.603 -5.821 -0.429 100 H ALA 15 HN ALA 15 12.048 -6.389 1.087 101 HA ALA 15 HA ALA 15 12.128 -9.159 1.384 102 1HB ALA 15 1HB ALA 15 12.702 -7.567 3.190 103 2HB ALA 15 2HB ALA 15 10.982 -7.168 3.394 104 3HB ALA 15 3HB ALA 15 11.562 -8.806 3.750 105 H GLN 16 HN GLN 16 9.241 -7.102 1.840 106 HA GLN 16 HA GLN 16 7.333 -9.184 2.234 107 1HB GLN 16 1HB GLN 16 7.111 -6.369 1.109 108 2HB GLN 16 2HB GLN 16 5.703 -7.410 1.380 109 1HG GLN 16 1HG GLN 16 6.120 -7.599 3.718 110 2HG GLN 16 2HG GLN 16 7.717 -6.854 3.602 111 1HE2 GLN 16 1HE21 GLN 16 6.502 -3.501 3.221 112 2HE2 GLN 16 2HE22 GLN 16 7.775 -4.616 2.697 113 H LEU 17 HN LEU 17 8.406 -7.555 -0.766 114 HA LEU 17 HA LEU 17 6.829 -8.893 -2.619 115 1HB LEU 17 2HB LEU 17 9.323 -7.350 -2.647 116 2HB LEU 17 1HB LEU 17 9.425 -8.657 -3.815 117 HG LEU 17 HG LEU 17 6.982 -6.892 -3.623 118 1HD1 LEU 17 3HD23 LEU 17 8.866 -5.365 -3.957 119 2HD1 LEU 17 2HD22 LEU 17 9.441 -6.342 -5.331 120 3HD1 LEU 17 1HD21 LEU 17 7.890 -5.483 -5.431 121 1HD2 LEU 17 1HD11 LEU 17 6.827 -8.998 -4.980 122 2HD2 LEU 17 3HD13 LEU 17 6.721 -7.567 -6.019 123 3HD2 LEU 17 2HD12 LEU 17 8.232 -8.488 -5.926 124 H ALA 18 HN ALA 18 9.398 -10.276 -0.720 125 HA ALA 18 HA ALA 18 9.288 -12.808 -2.322 126 1HB ALA 18 3HB ALA 18 11.221 -11.907 -0.146 127 2HB ALA 18 2HB ALA 18 11.261 -13.450 -1.022 128 3HB ALA 18 1HB ALA 18 11.521 -11.925 -1.892 129 H LYS 19 HN LYS 19 9.438 -11.915 1.189 130 HA LYS 19 HA LYS 19 8.561 -14.501 1.984 131 1HB LYS 19 2HB LYS 19 8.527 -13.656 4.199 132 2HB LYS 19 1HB LYS 19 9.933 -12.971 3.371 133 1HG LYS 19 2HG LYS 19 8.592 -10.870 3.022 134 2HG LYS 19 1HG LYS 19 7.289 -11.549 3.973 135 1HD LYS 19 1HD LYS 19 10.144 -10.958 4.895 136 2HD LYS 19 2HD LYS 19 8.701 -10.027 5.304 137 1HE LYS 19 1HE LYS 19 9.349 -12.877 6.192 138 2HE LYS 19 2HE LYS 19 9.321 -11.422 7.190 139 1HZ LYS 19 3HZ LYS 19 6.973 -11.237 6.754 140 2HZ LYS 19 2HZ LYS 19 6.999 -12.617 5.851 141 3HZ LYS 19 1HZ LYS 19 7.338 -12.681 7.461 142 H GLY 20 HN GLY 20 6.608 -11.737 0.983 143 1HA GLY 20 1HA GLY 20 4.266 -12.412 2.505 144 2HA GLY 20 2HA GLY 20 4.366 -11.395 1.063 145 H LYS 21 HN LYS 21 5.752 -14.021 -0.194 146 HA LYS 21 HA LYS 21 5.100 -15.675 -1.596 147 1HB LYS 21 2HB LYS 21 2.793 -16.133 0.359 148 2HB LYS 21 1HB LYS 21 3.381 -17.245 -0.885 149 1HG LYS 21 2HG LYS 21 5.619 -17.287 0.226 150 2HG LYS 21 1HG LYS 21 4.988 -16.215 1.489 151 1HD LYS 21 2HD LYS 21 3.300 -17.921 2.119 152 2HD LYS 21 1HD LYS 21 3.903 -18.990 0.840 153 1HE LYS 21 1HE LYS 21 4.837 -19.663 3.001 154 2HE LYS 21 2HE LYS 21 6.129 -19.076 1.942 155 1HZ LYS 21 1HZ LYS 21 4.825 -17.529 4.076 156 2HZ LYS 21 3HZ LYS 21 6.317 -18.223 4.161 157 3HZ LYS 21 2HZ LYS 21 6.043 -16.985 3.111 158 H GLU 22 HN GLU 22 4.809 -13.739 -2.876 159 HA GLU 22 HA GLU 22 2.214 -12.592 -3.291 160 1HB GLU 22 1HB GLU 22 4.613 -12.228 -5.088 161 2HB GLU 22 2HB GLU 22 3.340 -11.075 -4.659 162 1HG GLU 22 1HG GLU 22 5.618 -11.987 -2.836 163 2HG GLU 22 2HG GLU 22 5.488 -10.488 -3.735 164 H GLU 23 HN GLU 23 3.228 -15.498 -4.346 165 HA GLU 23 HA GLU 23 3.372 -16.295 -6.695 166 1HB GLU 23 1HB GLU 23 2.509 -17.685 -4.832 167 2HB GLU 23 2HB GLU 23 0.887 -17.036 -5.068 168 1HG GLU 23 1HG GLU 23 1.085 -19.255 -6.065 169 2HG GLU 23 2HG GLU 23 0.804 -18.064 -7.337 170 H HIS 24 HN HIS 24 0.050 -15.225 -5.944 171 HA HIS 24 HA HIS 24 -0.165 -13.798 -8.483 172 1HB HIS 24 1HB HIS 24 -0.832 -16.125 -9.087 173 2HB HIS 24 2HB HIS 24 -2.066 -16.092 -7.821 174 HD2 HIS 24 HD2 HIS 24 -4.341 -14.638 -8.420 175 HE1 HIS 24 HE1 HIS 24 -3.206 -13.598 -12.367 176 HE2 HIS 24 HE2 HIS 24 -5.139 -13.558 -10.713 177 H LYS 25 HN LYS 25 0.172 -12.596 -6.239 178 HA LYS 25 HA LYS 25 -2.506 -11.977 -5.051 179 1HB LYS 25 2HB LYS 25 0.191 -11.518 -3.781 180 2HB LYS 25 1HB LYS 25 -1.397 -11.480 -3.007 181 1HG LYS 25 1HG LYS 25 0.048 -13.950 -4.077 182 2HG LYS 25 2HG LYS 25 -0.075 -13.445 -2.396 183 1HD LYS 25 1HD LYS 25 -2.491 -13.823 -2.412 184 2HD LYS 25 2HD LYS 25 -2.481 -14.164 -4.140 185 1HE LYS 25 2HE LYS 25 -2.568 -16.238 -2.780 186 2HE LYS 25 1HE LYS 25 -1.148 -16.171 -3.831 187 1HZ LYS 25 1HZ LYS 25 -1.158 -15.519 -0.968 188 2HZ LYS 25 3HZ LYS 25 -0.619 -16.926 -1.632 189 3HZ LYS 25 2HZ LYS 25 0.168 -15.518 -1.954 190 HA PRO 26 HA PRO 26 -1.548 -7.915 -6.753 191 1HB PRO 26 1HB PRO 26 -3.579 -6.425 -5.743 192 2HB PRO 26 2HB PRO 26 -3.845 -7.677 -6.991 193 1HG PRO 26 1HG PRO 26 -4.161 -7.969 -4.000 194 2HG PRO 26 2HG PRO 26 -5.375 -8.368 -5.241 195 1HD PRO 26 2HD PRO 26 -3.718 -10.268 -4.220 196 2HD PRO 26 1HD PRO 26 -4.084 -10.277 -5.967 197 H ILE 27 HN ILE 27 0.261 -6.998 -6.007 198 HA ILE 27 HA ILE 27 0.501 -6.221 -3.187 199 HB ILE 27 HB ILE 27 2.383 -5.757 -5.511 200 1HG1 ILE 27 2HG12 ILE 27 2.726 -7.810 -3.307 201 2HG1 ILE 27 1HG11 ILE 27 1.931 -8.219 -4.828 202 1HG2 ILE 27 2HG22 ILE 27 2.638 -4.159 -3.614 203 2HG2 ILE 27 3HG23 ILE 27 2.818 -5.525 -2.501 204 3HG2 ILE 27 1HG21 ILE 27 4.036 -5.221 -3.756 205 1HD1 ILE 27 3HD13 ILE 27 3.943 -7.513 -6.090 206 2HD1 ILE 27 2HD12 ILE 27 4.770 -7.187 -4.548 207 3HD1 ILE 27 1HD11 ILE 27 4.259 -8.832 -4.951 208 H VAL 28 HN VAL 28 -0.820 -4.531 -2.779 209 HA VAL 28 HA VAL 28 -1.470 -2.575 -4.926 210 HB VAL 28 HB VAL 28 -2.758 -2.634 -2.185 211 1HG1 VAL 28 3HG13 VAL 28 -2.989 -0.686 -3.822 212 2HG1 VAL 28 1HG11 VAL 28 -3.803 -1.797 -4.927 213 3HG1 VAL 28 2HG12 VAL 28 -4.523 -1.451 -3.342 214 1HG2 VAL 28 1HG21 VAL 28 -3.594 -4.270 -4.612 215 2HG2 VAL 28 2HG22 VAL 28 -3.123 -4.904 -3.017 216 3HG2 VAL 28 3HG23 VAL 28 -4.606 -3.963 -3.184 217 H VAL 29 HN VAL 29 -0.151 -0.787 -4.926 218 HA VAL 29 HA VAL 29 1.332 -0.176 -2.405 219 HB VAL 29 HB VAL 29 2.095 0.934 -5.087 220 1HG1 VAL 29 3HG23 VAL 29 2.987 1.812 -2.895 221 2HG1 VAL 29 1HG21 VAL 29 3.615 0.194 -2.543 222 3HG1 VAL 29 2HG22 VAL 29 4.236 1.119 -3.923 223 1HG2 VAL 29 1HG11 VAL 29 2.921 -1.776 -4.012 224 2HG2 VAL 29 2HG12 VAL 29 1.943 -1.469 -5.469 225 3HG2 VAL 29 3HG13 VAL 29 3.616 -0.924 -5.418 226 H ASP 30 HN ASP 30 0.529 1.465 -1.293 227 HA ASP 30 HA ASP 30 -0.896 3.750 -2.629 228 1HB ASP 30 1HB ASP 30 -2.116 2.903 -0.818 229 2HB ASP 30 2HB ASP 30 -0.708 2.771 0.233 230 H PHE 31 HN PHE 31 1.005 4.529 -3.656 231 HA PHE 31 HA PHE 31 3.408 5.223 -2.069 232 1HB PHE 31 1HB PHE 31 2.508 5.734 -4.922 233 2HB PHE 31 2HB PHE 31 3.995 6.344 -4.270 234 HD1 PHE 31 HD2 PHE 31 5.749 4.617 -3.394 235 HD2 PHE 31 HD1 PHE 31 2.430 3.576 -5.939 236 HE1 PHE 31 HE2 PHE 31 7.180 2.991 -4.588 237 HE2 PHE 31 HE1 PHE 31 3.876 1.945 -7.124 238 HZ PHE 31 HZ PHE 31 6.273 1.743 -6.553 239 H THR 32 HN THR 32 3.007 6.956 -0.587 240 HA THR 32 HA THR 32 1.857 9.425 -1.555 241 HB THR 32 HB THR 32 -0.131 7.817 -1.375 242 HG1 THR 32 HG1 THR 32 -1.376 9.363 -0.467 243 1HG2 THR 32 2HG22 THR 32 0.369 8.021 1.645 244 2HG2 THR 32 1HG21 THR 32 -1.044 7.375 0.851 245 3HG2 THR 32 3HG23 THR 32 0.531 6.572 0.653 246 H ALA 33 HN ALA 33 0.798 10.285 0.803 247 HA ALA 33 HA ALA 33 1.184 11.305 2.780 248 1HB ALA 33 1HB ALA 33 1.178 8.944 3.525 249 2HB ALA 33 3HB ALA 33 2.940 8.866 3.339 250 3HB ALA 33 2HB ALA 33 2.199 9.937 4.545 251 H THR 34 HN THR 34 4.002 10.659 4.128 252 HA THR 34 HA THR 34 5.725 11.971 4.666 253 HB THR 34 HB THR 34 7.346 12.387 2.934 254 HG1 THR 34 HG1 THR 34 5.170 12.013 1.151 255 1HG2 THR 34 2HG22 THR 34 6.861 10.065 3.712 256 2HG2 THR 34 3HG23 THR 34 5.802 9.827 2.303 257 3HG2 THR 34 1HG21 THR 34 7.532 10.102 2.078 258 H TRP 35 HN TRP 35 5.707 14.035 1.903 259 HA TRP 35 HA TRP 35 5.214 16.361 3.596 260 1HB TRP 35 1HB TRP 35 5.569 17.622 1.556 261 2HB TRP 35 2HB TRP 35 6.827 16.409 1.763 262 HD1 TRP 35 HD1 TRP 35 7.102 14.624 -0.126 263 HE1 TRP 35 HE1 TRP 35 6.058 14.287 -2.469 264 HE3 TRP 35 HE3 TRP 35 3.238 17.980 0.177 265 HZ2 TRP 35 HZ2 TRP 35 3.853 15.308 -3.976 266 HZ3 TRP 35 HZ3 TRP 35 1.654 18.226 -1.706 267 HH2 TRP 35 HH2 TRP 35 1.949 16.896 -3.782 268 H CYS 36 HN CYS 36 3.201 14.291 1.540 269 HA CYS 36 HA CYS 36 1.195 16.337 1.028 270 1HB CYS 36 1HB CYS 36 1.538 14.500 -0.516 271 2HB CYS 36 2HB CYS 36 1.065 13.330 0.728 272 H GLY 37 HN GLY 37 0.972 17.072 3.244 273 1HA GLY 37 1HA GLY 37 -0.059 15.812 5.441 274 2HA GLY 37 2HA GLY 37 -0.588 17.427 4.942 275 HA PRO 38 HA PRO 38 -4.664 16.192 3.826 276 1HB PRO 38 1HB PRO 38 -4.012 16.120 0.864 277 2HB PRO 38 2HB PRO 38 -5.442 16.833 1.667 278 1HG PRO 38 1HG PRO 38 -3.413 18.452 0.911 279 2HG PRO 38 2HG PRO 38 -4.106 18.642 2.550 280 1HD PRO 38 1HD PRO 38 -1.586 17.173 1.747 281 2HD PRO 38 2HD PRO 38 -1.833 18.314 3.102 282 H CYS 39 HN CYS 39 -2.222 14.342 2.036 283 HA CYS 39 HA CYS 39 -3.859 12.131 1.286 284 1HB CYS 39 2HB CYS 39 -0.873 12.159 1.858 285 2HB CYS 39 1HB CYS 39 -1.797 10.862 1.138 286 H LYS 40 HN LYS 40 -2.455 13.054 4.401 287 HA LYS 40 HA LYS 40 -2.381 10.462 5.604 288 1HB LYS 40 2HB LYS 40 -2.970 13.145 6.905 289 2HB LYS 40 1HB LYS 40 -2.436 11.681 7.730 290 1HG LYS 40 2HG LYS 40 -0.798 13.237 5.678 291 2HG LYS 40 1HG LYS 40 -0.637 13.344 7.430 292 1HD LYS 40 1HD LYS 40 -0.035 10.891 7.456 293 2HD LYS 40 2HD LYS 40 -0.065 10.908 5.683 294 1HE LYS 40 1HE LYS 40 1.739 12.605 7.479 295 2HE LYS 40 2HE LYS 40 2.245 11.213 6.516 296 1HZ LYS 40 2HZ LYS 40 1.586 12.459 4.549 297 2HZ LYS 40 1HZ LYS 40 1.211 13.760 5.478 298 3HZ LYS 40 3HZ LYS 40 2.766 13.235 5.402 299 H MET 41 HN MET 41 -5.099 12.466 4.636 300 HA MET 41 HA MET 41 -7.029 11.095 6.411 301 1HB MET 41 2HB MET 41 -7.453 12.915 4.002 302 2HB MET 41 1HB MET 41 -8.661 12.455 5.204 303 1HG MET 41 2HG MET 41 -6.182 14.152 5.776 304 2HG MET 41 1HG MET 41 -7.806 14.736 5.474 305 1HE MET 41 1HE MET 41 -5.276 13.988 8.032 306 2HE MET 41 3HE MET 41 -6.143 13.366 9.452 307 3HE MET 41 2HE MET 41 -5.844 12.297 8.071 308 H ILE 42 HN ILE 42 -5.717 10.780 3.168 309 HA ILE 42 HA ILE 42 -7.836 8.952 2.270 310 HB ILE 42 HB ILE 42 -5.158 9.661 0.991 311 1HG1 ILE 42 2HG12 ILE 42 -7.947 10.812 0.473 312 2HG1 ILE 42 1HG11 ILE 42 -6.676 11.657 1.364 313 1HG2 ILE 42 2HG22 ILE 42 -7.704 8.350 -0.066 314 2HG2 ILE 42 3HG23 ILE 42 -6.311 8.776 -1.075 315 3HG2 ILE 42 1HG21 ILE 42 -6.142 7.544 0.164 316 1HD1 ILE 42 2HD12 ILE 42 -5.205 11.598 -0.622 317 2HD1 ILE 42 1HD11 ILE 42 -6.552 10.911 -1.561 318 3HD1 ILE 42 3HD13 ILE 42 -6.702 12.519 -0.843 319 H ALA 43 HN ALA 43 -4.559 8.839 3.580 320 HA ALA 43 HA ALA 43 -3.800 6.263 3.210 321 1HB ALA 43 1HB ALA 43 -3.501 8.066 5.659 322 2HB ALA 43 2HB ALA 43 -2.654 6.524 5.525 323 3HB ALA 43 3HB ALA 43 -2.360 7.810 4.335 324 HA PRO 44 HA PRO 44 -6.171 4.457 7.011 325 1HB PRO 44 2HB PRO 44 -8.405 5.751 7.969 326 2HB PRO 44 1HB PRO 44 -6.757 5.993 8.618 327 1HG PRO 44 1HG PRO 44 -8.170 7.651 6.510 328 2HG PRO 44 2HG PRO 44 -7.364 8.243 7.999 329 1HD PRO 44 2HD PRO 44 -5.994 8.292 5.721 330 2HD PRO 44 1HD PRO 44 -5.195 7.636 7.173 331 H LEU 45 HN LEU 45 -8.037 6.425 4.703 332 HA LEU 45 HA LEU 45 -10.222 4.631 4.357 333 1HB LEU 45 2HB LEU 45 -9.014 6.855 2.744 334 2HB LEU 45 1HB LEU 45 -9.866 5.620 1.834 335 HG LEU 45 HG LEU 45 -11.823 5.943 3.463 336 1HD1 LEU 45 3HD23 LEU 45 -10.552 7.044 5.298 337 2HD1 LEU 45 2HD22 LEU 45 -10.281 8.445 4.236 338 3HD1 LEU 45 1HD21 LEU 45 -11.924 8.018 4.745 339 1HD2 LEU 45 3HD13 LEU 45 -10.933 8.319 1.771 340 2HD2 LEU 45 1HD11 LEU 45 -11.843 6.897 1.209 341 3HD2 LEU 45 2HD12 LEU 45 -12.588 8.028 2.352 342 H PHE 46 HN PHE 46 -7.132 4.802 2.499 343 HA PHE 46 HA PHE 46 -7.605 2.384 1.002 344 1HB PHE 46 2HB PHE 46 -5.892 3.934 0.354 345 2HB PHE 46 1HB PHE 46 -5.108 3.824 1.910 346 HD1 PHE 46 HD2 PHE 46 -3.753 1.753 2.475 347 HD2 PHE 46 HD1 PHE 46 -5.499 2.285 -1.425 348 HE1 PHE 46 HE2 PHE 46 -2.037 0.248 1.485 349 HE2 PHE 46 HE1 PHE 46 -3.826 0.781 -2.388 350 HZ PHE 46 HZ PHE 46 -1.959 -0.108 -0.973 351 H GLU 47 HN GLU 47 -6.149 2.975 4.218 352 HA GLU 47 HA GLU 47 -5.285 0.373 4.764 353 1HB GLU 47 2HB GLU 47 -4.866 2.548 6.039 354 2HB GLU 47 1HB GLU 47 -6.391 2.213 6.894 355 1HG GLU 47 1HG GLU 47 -5.492 0.088 7.714 356 2HG GLU 47 2HG GLU 47 -4.026 0.291 6.740 357 H THR 48 HN THR 48 -8.675 1.702 5.228 358 HA THR 48 HA THR 48 -9.603 -0.557 6.649 359 HB THR 48 HB THR 48 -11.814 0.016 5.866 360 HG1 THR 48 HG1 THR 48 -10.538 1.893 4.158 361 1HG2 THR 48 1HG21 THR 48 -10.759 1.366 7.680 362 2HG2 THR 48 3HG23 THR 48 -10.276 2.568 6.467 363 3HG2 THR 48 2HG22 THR 48 -11.990 2.252 6.753 364 H LEU 49 HN LEU 49 -9.692 0.021 3.111 365 HA LEU 49 HA LEU 49 -10.651 -2.557 2.386 366 1HB LEU 49 2HB LEU 49 -8.832 -0.637 0.871 367 2HB LEU 49 1HB LEU 49 -9.376 -2.160 0.198 368 HG LEU 49 HG LEU 49 -10.662 -0.241 -0.597 369 1HD1 LEU 49 3HD13 LEU 49 -11.646 -2.452 -0.688 370 2HD1 LEU 49 2HD12 LEU 49 -12.303 -2.290 0.956 371 3HD1 LEU 49 1HD11 LEU 49 -12.902 -1.255 -0.340 372 1HD2 LEU 49 1HD21 LEU 49 -10.695 1.097 1.505 373 2HD2 LEU 49 3HD23 LEU 49 -12.280 0.917 0.742 374 3HD2 LEU 49 2HD22 LEU 49 -11.892 -0.047 2.172 375 H SER 50 HN SER 50 -7.329 -1.388 2.957 376 HA SER 50 HA SER 50 -5.926 -3.747 2.314 377 1HB SER 50 2HB SER 50 -5.263 -2.030 4.741 378 2HB SER 50 1HB SER 50 -4.196 -2.989 3.738 379 HG SER 50 HG SER 50 -5.619 -0.762 2.710 380 H ASN 51 HN ASN 51 -7.325 -2.829 5.486 381 HA ASN 51 HA ASN 51 -6.711 -5.243 6.836 382 1HB ASN 51 1HB ASN 51 -7.497 -2.987 7.772 383 2HB ASN 51 2HB ASN 51 -9.142 -3.492 7.380 384 1HD2 ASN 51 2HD22 ASN 51 -8.485 -6.334 9.921 385 2HD2 ASN 51 1HD21 ASN 51 -8.571 -6.455 8.177 386 H ASP 52 HN ASP 52 -9.576 -4.265 4.906 387 HA ASP 52 HA ASP 52 -11.227 -6.480 5.475 388 1HB ASP 52 1HB ASP 52 -11.992 -4.431 4.327 389 2HB ASP 52 2HB ASP 52 -11.019 -4.847 2.904 390 H TYR 53 HN TYR 53 -8.977 -6.046 2.678 391 HA TYR 53 HA TYR 53 -9.478 -8.791 1.781 392 1HB TYR 53 1HB TYR 53 -7.723 -6.506 0.854 393 2HB TYR 53 2HB TYR 53 -7.647 -8.123 0.152 394 HD1 TYR 53 HD2 TYR 53 -9.950 -5.215 0.621 395 HD2 TYR 53 HD1 TYR 53 -9.182 -8.923 -1.439 396 HE1 TYR 53 HE2 TYR 53 -11.762 -4.708 -0.968 397 HE2 TYR 53 HE1 TYR 53 -10.987 -8.403 -3.035 398 HH TYR 53 HH TYR 53 -12.790 -7.016 -3.487 399 H ALA 54 HN ALA 54 -7.099 -7.296 3.853 400 HA ALA 54 HA ALA 54 -4.779 -8.312 3.897 401 1HB ALA 54 2HB ALA 54 -5.862 -7.269 5.860 402 2HB ALA 54 3HB ALA 54 -6.656 -8.803 6.244 403 3HB ALA 54 1HB ALA 54 -4.886 -8.673 6.326 404 H GLY 55 HN GLY 55 -3.906 -10.137 3.036 405 1HA GLY 55 1HA GLY 55 -3.339 -12.402 4.232 406 2HA GLY 55 2HA GLY 55 -4.984 -12.826 3.724 407 H LYS 56 HN LYS 56 -5.484 -12.346 1.380 408 HA LYS 56 HA LYS 56 -3.403 -13.626 -0.292 409 1HB LYS 56 2HB LYS 56 -6.296 -12.909 -0.911 410 2HB LYS 56 1HB LYS 56 -5.243 -13.982 -1.855 411 1HG LYS 56 1HG LYS 56 -5.038 -15.487 0.115 412 2HG LYS 56 2HG LYS 56 -6.371 -14.594 0.874 413 1HD LYS 56 2HD LYS 56 -6.482 -15.822 -1.942 414 2HD LYS 56 1HD LYS 56 -7.000 -16.631 -0.482 415 1HE LYS 56 2HE LYS 56 -8.676 -14.813 -0.057 416 2HE LYS 56 1HE LYS 56 -8.172 -14.023 -1.565 417 1HZ LYS 56 3HZ LYS 56 -9.336 -16.703 -1.359 418 2HZ LYS 56 1HZ LYS 56 -10.108 -15.342 -1.875 419 3HZ LYS 56 2HZ LYS 56 -8.859 -15.963 -2.752 420 H VAL 57 HN VAL 57 -3.193 -10.724 0.593 421 HA VAL 57 HA VAL 57 -2.846 -9.412 -2.010 422 HB VAL 57 HB VAL 57 -4.100 -7.446 -1.226 423 1HG1 VAL 57 2HG22 VAL 57 -5.284 -9.317 -2.536 424 2HG1 VAL 57 3HG23 VAL 57 -6.020 -9.792 -0.997 425 3HG1 VAL 57 1HG21 VAL 57 -6.308 -8.174 -1.669 426 1HG2 VAL 57 3HG13 VAL 57 -4.896 -9.208 1.155 427 2HG2 VAL 57 1HG11 VAL 57 -3.893 -7.752 1.241 428 3HG2 VAL 57 2HG12 VAL 57 -5.582 -7.626 0.814 429 H ILE 58 HN ILE 58 -1.460 -7.442 -1.698 430 HA ILE 58 HA ILE 58 -0.226 -7.253 1.044 431 HB ILE 58 HB ILE 58 1.367 -7.305 -1.549 432 1HG1 ILE 58 2HG12 ILE 58 2.364 -9.361 -0.191 433 2HG1 ILE 58 1HG11 ILE 58 0.765 -9.425 0.504 434 1HG2 ILE 58 2HG22 ILE 58 2.222 -5.881 0.372 435 2HG2 ILE 58 3HG23 ILE 58 2.266 -7.359 1.343 436 3HG2 ILE 58 1HG21 ILE 58 3.291 -7.209 -0.099 437 1HD1 ILE 58 2HD12 ILE 58 -0.146 -9.643 -1.909 438 2HD1 ILE 58 3HD13 ILE 58 1.528 -9.654 -2.451 439 3HD1 ILE 58 1HD11 ILE 58 0.926 -10.951 -1.403 440 H PHE 59 HN PHE 59 -1.307 -5.402 1.566 441 HA PHE 59 HA PHE 59 -1.382 -3.128 -0.323 442 1HB PHE 59 2HB PHE 59 -2.666 -3.742 2.303 443 2HB PHE 59 1HB PHE 59 -2.600 -2.103 1.689 444 HD1 PHE 59 HD2 PHE 59 -3.560 -5.535 0.378 445 HD2 PHE 59 HD1 PHE 59 -4.423 -1.312 0.451 446 HE1 PHE 59 HE2 PHE 59 -5.819 -5.946 -0.544 447 HE2 PHE 59 HE1 PHE 59 -6.695 -1.743 -0.279 448 HZ PHE 59 HZ PHE 59 -7.481 -4.104 -0.600 449 H LEU 60 HN LEU 60 0.674 -2.354 -0.455 450 HA LEU 60 HA LEU 60 2.309 -1.822 1.973 451 1HB LEU 60 1HB LEU 60 2.855 -1.558 -1.011 452 2HB LEU 60 2HB LEU 60 4.043 -1.262 0.276 453 HG LEU 60 HG LEU 60 2.732 -3.897 -0.482 454 1HD1 LEU 60 1HD21 LEU 60 4.495 -3.069 -2.019 455 2HD1 LEU 60 2HD22 LEU 60 5.623 -2.947 -0.652 456 3HD1 LEU 60 3HD23 LEU 60 5.006 -4.532 -1.157 457 1HD2 LEU 60 1HD11 LEU 60 4.717 -3.244 1.748 458 2HD2 LEU 60 2HD12 LEU 60 3.100 -3.958 1.944 459 3HD2 LEU 60 3HD13 LEU 60 4.386 -4.888 1.164 460 H LYS 61 HN LYS 61 1.844 0.152 2.994 461 HA LYS 61 HA LYS 61 1.168 2.484 1.249 462 1HB LYS 61 2HB LYS 61 1.237 2.338 4.267 463 2HB LYS 61 1HB LYS 61 0.643 3.650 3.255 464 1HG LYS 61 2HG LYS 61 -1.180 2.275 2.477 465 2HG LYS 61 1HG LYS 61 -0.455 0.810 3.144 466 1HD LYS 61 1HD LYS 61 -2.315 1.524 4.557 467 2HD LYS 61 2HD LYS 61 -0.782 1.554 5.431 468 1HE LYS 61 1HE LYS 61 -2.173 3.558 5.910 469 2HE LYS 61 2HE LYS 61 -0.626 3.993 5.175 470 1HZ LYS 61 1HZ LYS 61 -1.823 4.101 3.031 471 2HZ LYS 61 2HZ LYS 61 -3.245 3.870 3.847 472 3HZ LYS 61 3HZ LYS 61 -2.315 5.194 4.139 473 H VAL 62 HN VAL 62 2.862 3.444 0.357 474 HA VAL 62 HA VAL 62 5.548 3.115 1.665 475 HB VAL 62 HB VAL 62 4.690 3.261 -1.229 476 1HG1 VAL 62 3HG13 VAL 62 7.485 3.580 -0.062 477 2HG1 VAL 62 1HG11 VAL 62 7.145 3.180 -1.758 478 3HG1 VAL 62 2HG12 VAL 62 6.645 4.745 -1.110 479 1HG2 VAL 62 3HG23 VAL 62 4.719 1.070 -0.022 480 2HG2 VAL 62 1HG21 VAL 62 5.967 1.149 -1.283 481 3HG2 VAL 62 2HG22 VAL 62 6.416 1.350 0.422 482 H ASP 63 HN ASP 63 6.411 4.746 2.608 483 HA ASP 63 HA ASP 63 5.629 7.520 2.112 484 1HB ASP 63 2HB ASP 63 7.710 6.159 3.855 485 2HB ASP 63 1HB ASP 63 7.652 7.907 3.679 486 H VAL 64 HN VAL 64 5.965 7.469 -0.108 487 HA VAL 64 HA VAL 64 8.012 6.890 -1.739 488 HB VAL 64 HB VAL 64 7.351 8.864 -3.138 489 1HG1 VAL 64 1HG11 VAL 64 5.155 7.148 -1.918 490 2HG1 VAL 64 3HG13 VAL 64 4.956 8.155 -3.351 491 3HG1 VAL 64 2HG12 VAL 64 6.146 6.838 -3.359 492 1HG2 VAL 64 2HG22 VAL 64 5.590 9.609 -0.755 493 2HG2 VAL 64 3HG23 VAL 64 6.850 10.609 -1.519 494 3HG2 VAL 64 1HG21 VAL 64 5.403 10.185 -2.415 495 H ASP 65 HN ASP 65 8.027 9.968 0.123 496 HA ASP 65 HA ASP 65 10.343 11.073 -0.977 497 1HB ASP 65 2HB ASP 65 8.779 12.204 0.622 498 2HB ASP 65 1HB ASP 65 9.477 11.240 1.943 499 H ALA 66 HN ALA 66 10.048 8.583 1.560 500 HA ALA 66 HA ALA 66 12.948 8.558 2.106 501 1HB ALA 66 2HB ALA 66 11.307 8.116 3.910 502 2HB ALA 66 1HB ALA 66 10.700 6.714 3.000 503 3HB ALA 66 3HB ALA 66 12.370 6.723 3.616 504 H VAL 67 HN VAL 67 10.436 6.496 0.590 505 HA VAL 67 HA VAL 67 12.429 4.620 -0.521 506 HB VAL 67 HB VAL 67 9.392 4.835 -0.691 507 1HG1 VAL 67 1HG21 VAL 67 11.258 2.801 -1.888 508 2HG1 VAL 67 3HG23 VAL 67 9.672 2.289 -1.276 509 3HG1 VAL 67 2HG22 VAL 67 9.734 3.529 -2.513 510 1HG2 VAL 67 1HG11 VAL 67 11.296 3.078 0.925 511 2HG2 VAL 67 3HG13 VAL 67 10.218 4.348 1.546 512 3HG2 VAL 67 2HG12 VAL 67 9.539 2.860 0.892 513 H ALA 68 HN ALA 68 13.204 6.976 -1.298 514 HA ALA 68 HA ALA 68 12.083 8.301 -3.457 515 1HB ALA 68 2HB ALA 68 13.874 9.196 -2.050 516 2HB ALA 68 3HB ALA 68 15.024 8.006 -2.693 517 3HB ALA 68 1HB ALA 68 14.346 9.257 -3.758 518 H ALA 69 HN ALA 69 14.793 5.921 -3.696 519 HA ALA 69 HA ALA 69 15.108 5.997 -6.458 520 1HB ALA 69 3HB ALA 69 16.640 4.831 -4.926 521 2HB ALA 69 1HB ALA 69 15.410 3.589 -4.601 522 3HB ALA 69 2HB ALA 69 16.112 3.745 -6.225 523 H VAL 70 HN VAL 70 12.993 3.775 -4.621 524 HA VAL 70 HA VAL 70 11.951 2.384 -6.902 525 HB VAL 70 HB VAL 70 10.800 2.819 -4.150 526 1HG1 VAL 70 3HG23 VAL 70 9.070 1.979 -5.698 527 2HG1 VAL 70 1HG21 VAL 70 10.139 0.636 -6.154 528 3HG1 VAL 70 2HG22 VAL 70 9.509 0.763 -4.496 529 1HG2 VAL 70 2HG12 VAL 70 12.551 0.572 -5.197 530 2HG2 VAL 70 3HG13 VAL 70 13.002 1.775 -3.967 531 3HG2 VAL 70 1HG11 VAL 70 11.747 0.584 -3.611 532 H ALA 71 HN ALA 71 10.690 5.130 -4.912 533 HA ALA 71 HA ALA 71 8.280 5.553 -6.310 534 1HB ALA 71 2HB ALA 71 8.874 6.685 -4.203 535 2HB ALA 71 1HB ALA 71 10.124 7.629 -5.037 536 3HB ALA 71 3HB ALA 71 8.417 7.864 -5.443 537 H GLU 72 HN GLU 72 11.547 6.888 -7.009 538 HA GLU 72 HA GLU 72 10.911 8.363 -9.294 539 1HB GLU 72 2HB GLU 72 13.267 7.648 -7.846 540 2HB GLU 72 1HB GLU 72 13.549 7.020 -9.467 541 1HG GLU 72 1HG GLU 72 12.970 9.227 -10.406 542 2HG GLU 72 2HG GLU 72 12.663 9.820 -8.745 543 H ALA 73 HN ALA 73 12.185 4.998 -9.091 544 HA ALA 73 HA ALA 73 12.115 4.461 -11.841 545 1HB ALA 73 3HB ALA 73 13.240 3.030 -10.154 546 2HB ALA 73 1HB ALA 73 11.662 2.525 -9.513 547 3HB ALA 73 2HB ALA 73 12.137 2.072 -11.164 548 H ALA 74 HN ALA 74 9.548 4.076 -9.399 549 HA ALA 74 HA ALA 74 7.589 2.986 -11.269 550 1HB ALA 74 2HB ALA 74 7.481 3.887 -8.381 551 2HB ALA 74 3HB ALA 74 6.097 3.206 -9.268 552 3HB ALA 74 1HB ALA 74 7.560 2.243 -9.015 553 H GLY 75 HN GLY 75 8.845 6.092 -11.144 554 1HA GLY 75 1HA GLY 75 8.129 8.088 -11.933 555 2HA GLY 75 2HA GLY 75 6.891 7.174 -12.815 556 H ILE 76 HN ILE 76 7.277 7.575 -9.257 557 HA ILE 76 HA ILE 76 4.481 8.194 -8.923 558 HB ILE 76 HB ILE 76 6.940 8.213 -7.184 559 1HG1 ILE 76 1HG11 ILE 76 5.660 6.685 -5.860 560 2HG1 ILE 76 2HG12 ILE 76 4.144 7.093 -6.679 561 1HG2 ILE 76 1HG21 ILE 76 4.315 9.503 -6.322 562 2HG2 ILE 76 2HG22 ILE 76 5.659 9.055 -5.255 563 3HG2 ILE 76 3HG23 ILE 76 5.897 10.313 -6.449 564 1HD1 ILE 76 3HD13 ILE 76 6.494 5.781 -8.060 565 2HD1 ILE 76 1HD11 ILE 76 5.162 4.876 -7.330 566 3HD1 ILE 76 2HD12 ILE 76 4.845 5.943 -8.698 567 H THR 77 HN THR 77 3.425 10.101 -8.800 568 HA THR 77 HA THR 77 4.853 12.684 -8.848 569 HB THR 77 HB THR 77 3.407 13.350 -10.863 570 HG1 THR 77 HG1 THR 77 3.432 10.549 -11.344 571 1HG2 THR 77 3HG23 THR 77 5.879 12.967 -11.051 572 2HG2 THR 77 2HG22 THR 77 5.557 11.280 -11.505 573 3HG2 THR 77 1HG21 THR 77 4.976 12.597 -12.532 574 H ALA 78 HN ALA 78 1.623 11.781 -9.901 575 HA ALA 78 HA ALA 78 0.332 13.636 -8.079 576 1HB ALA 78 2HB ALA 78 -0.730 11.518 -9.981 577 2HB ALA 78 1HB ALA 78 -1.747 12.683 -9.097 578 3HB ALA 78 3HB ALA 78 -0.562 13.255 -10.289 579 H MET 79 HN MET 79 1.283 12.744 -6.083 580 HA MET 79 HA MET 79 0.424 10.225 -5.021 581 1HB MET 79 2HB MET 79 1.245 12.750 -3.572 582 2HB MET 79 1HB MET 79 1.115 11.133 -2.835 583 1HG MET 79 2HG MET 79 2.990 10.313 -3.930 584 2HG MET 79 1HG MET 79 2.934 11.511 -5.218 585 1HE MET 79 2HE MET 79 3.537 11.137 -1.340 586 2HE MET 79 3HE MET 79 4.249 12.718 -0.970 587 3HE MET 79 1HE MET 79 2.544 12.606 -1.449 588 HA PRO 80 HA PRO 80 -0.716 9.209 -3.161 589 1HB PRO 80 2HB PRO 80 -3.511 8.242 -3.552 590 2HB PRO 80 1HB PRO 80 -2.476 8.047 -2.121 591 1HG PRO 80 1HG PRO 80 -4.589 9.780 -2.194 592 2HG PRO 80 2HG PRO 80 -3.085 10.224 -1.338 593 1HD PRO 80 2HD PRO 80 -3.972 11.022 -4.120 594 2HD PRO 80 1HD PRO 80 -3.262 12.041 -2.841 595 H THR 81 HN THR 81 0.124 7.688 -4.537 596 HA THR 81 HA THR 81 -1.103 7.300 -7.244 597 HB THR 81 HB THR 81 1.743 7.269 -6.271 598 HG1 THR 81 HG1 THR 81 0.254 9.143 -7.299 599 1HG2 THR 81 1HG21 THR 81 0.602 6.345 -8.942 600 2HG2 THR 81 3HG23 THR 81 2.317 6.716 -8.662 601 3HG2 THR 81 2HG22 THR 81 1.553 5.384 -7.780 602 H PHE 82 HN PHE 82 -2.218 5.456 -7.286 603 HA PHE 82 HA PHE 82 -1.655 3.328 -5.282 604 1HB PHE 82 1HB PHE 82 -4.113 3.967 -6.907 605 2HB PHE 82 2HB PHE 82 -3.922 2.545 -5.894 606 HD1 PHE 82 HD1 PHE 82 -3.140 3.029 -3.396 607 HD2 PHE 82 HD2 PHE 82 -5.194 5.868 -5.922 608 HE1 PHE 82 HE1 PHE 82 -3.834 4.333 -1.400 609 HE2 PHE 82 HE2 PHE 82 -5.925 7.113 -3.913 610 HZ PHE 82 HZ PHE 82 -5.097 6.407 -1.651 611 H HIS 83 HN HIS 83 -0.248 1.781 -6.194 612 HA HIS 83 HA HIS 83 -0.711 1.070 -9.098 613 1HB HIS 83 2HB HIS 83 1.743 0.861 -7.349 614 2HB HIS 83 1HB HIS 83 1.544 0.015 -8.891 615 HD2 HIS 83 HD2 HIS 83 0.194 3.559 -9.269 616 HE1 HIS 83 HE1 HIS 83 4.147 3.498 -10.740 617 HE2 HIS 83 HE2 HIS 83 2.004 4.850 -10.655 618 H VAL 84 HN VAL 84 -0.522 -1.184 -9.643 619 HA VAL 84 HA VAL 84 -1.001 -3.059 -7.366 620 HB VAL 84 HB VAL 84 -2.455 -3.215 -10.030 621 1HG1 VAL 84 1HG21 VAL 84 -2.816 -4.607 -7.337 622 2HG1 VAL 84 2HG22 VAL 84 -3.824 -4.852 -8.775 623 3HG1 VAL 84 3HG23 VAL 84 -2.124 -5.345 -8.797 624 1HG2 VAL 84 2HG12 VAL 84 -3.515 -2.145 -7.384 625 2HG2 VAL 84 1HG11 VAL 84 -3.323 -1.218 -8.891 626 3HG2 VAL 84 3HG13 VAL 84 -4.494 -2.539 -8.814 627 H TYR 85 HN TYR 85 0.821 -4.300 -7.376 628 HA TYR 85 HA TYR 85 1.963 -5.194 -10.009 629 1HB TYR 85 1HB TYR 85 3.266 -5.003 -7.283 630 2HB TYR 85 2HB TYR 85 4.006 -5.730 -8.689 631 HD1 TYR 85 HD2 TYR 85 2.711 -2.573 -7.240 632 HD2 TYR 85 HD1 TYR 85 5.129 -4.328 -10.333 633 HE1 TYR 85 HE2 TYR 85 3.648 -0.338 -7.787 634 HE2 TYR 85 HE1 TYR 85 6.011 -2.084 -10.914 635 HH TYR 85 HH TYR 85 4.526 0.865 -9.647 636 H LYS 86 HN LYS 86 1.150 -7.202 -10.524 637 HA LYS 86 HA LYS 86 0.051 -8.900 -8.309 638 1HB LYS 86 2HB LYS 86 -0.195 -9.056 -11.326 639 2HB LYS 86 1HB LYS 86 -0.630 -10.382 -10.232 640 1HG LYS 86 1HG LYS 86 -2.209 -8.946 -9.007 641 2HG LYS 86 2HG LYS 86 -1.755 -7.561 -10.005 642 1HD LYS 86 1HD LYS 86 -3.852 -8.426 -10.775 643 2HD LYS 86 2HD LYS 86 -2.642 -8.760 -12.023 644 1HE LYS 86 1HE LYS 86 -2.551 -11.125 -11.262 645 2HE LYS 86 2HE LYS 86 -3.677 -10.749 -9.938 646 1HZ LYS 86 1HZ LYS 86 -4.295 -10.516 -12.798 647 2HZ LYS 86 2HZ LYS 86 -4.827 -11.700 -11.773 648 3HZ LYS 86 3HZ LYS 86 -5.324 -10.178 -11.547 649 H ASP 87 HN ASP 87 1.592 -9.972 -7.314 650 HA ASP 87 HA ASP 87 3.282 -11.375 -6.844 651 1HB ASP 87 1HB ASP 87 2.499 -12.814 -8.695 652 2HB ASP 87 2HB ASP 87 3.528 -11.964 -9.836 653 H GLY 88 HN GLY 88 4.080 -9.813 -9.848 654 1HA GLY 88 1HA GLY 88 6.237 -8.185 -8.654 655 2HA GLY 88 2HA GLY 88 6.769 -9.417 -9.816 656 H VAL 89 HN VAL 89 4.520 -9.268 -11.647 657 HA VAL 89 HA VAL 89 5.453 -7.002 -13.165 658 HB VAL 89 HB VAL 89 4.866 -9.118 -14.221 659 1HG1 VAL 89 1HG11 VAL 89 2.956 -9.870 -12.856 660 2HG1 VAL 89 2HG12 VAL 89 1.955 -8.550 -13.498 661 3HG1 VAL 89 3HG13 VAL 89 2.545 -9.827 -14.570 662 1HG2 VAL 89 3HG23 VAL 89 4.746 -7.003 -15.513 663 2HG2 VAL 89 1HG21 VAL 89 3.639 -8.244 -16.120 664 3HG2 VAL 89 2HG22 VAL 89 3.005 -6.897 -15.161 665 H LYS 90 HN LYS 90 4.599 -5.047 -13.496 666 HA LYS 90 HA LYS 90 2.668 -3.963 -11.677 667 1HB LYS 90 2HB LYS 90 4.590 -2.742 -12.781 668 2HB LYS 90 1HB LYS 90 3.655 -2.756 -14.281 669 1HG LYS 90 1HG LYS 90 1.812 -1.509 -13.121 670 2HG LYS 90 2HG LYS 90 2.697 -1.606 -11.602 671 1HD LYS 90 2HD LYS 90 2.967 0.591 -12.592 672 2HD LYS 90 1HD LYS 90 4.521 -0.231 -12.484 673 1HE LYS 90 1HE LYS 90 4.153 1.026 -14.627 674 2HE LYS 90 2HE LYS 90 4.546 -0.681 -14.870 675 1HZ LYS 90 1HZ LYS 90 1.827 0.438 -14.902 676 2HZ LYS 90 3HZ LYS 90 2.724 0.088 -16.245 677 3HZ LYS 90 2HZ LYS 90 2.247 -1.120 -15.231 678 H ALA 91 HN ALA 91 0.635 -4.751 -11.796 679 HA ALA 91 HA ALA 91 -0.578 -5.558 -14.344 680 1HB ALA 91 1HB ALA 91 -0.767 -6.927 -12.271 681 2HB ALA 91 3HB ALA 91 -1.679 -5.604 -11.505 682 3HB ALA 91 2HB ALA 91 -2.338 -6.440 -12.929 683 H ASP 92 HN ASP 92 -0.785 -2.908 -11.972 684 HA ASP 92 HA ASP 92 -2.319 -1.378 -13.932 685 1HB ASP 92 2HB ASP 92 -3.829 -2.933 -12.207 686 2HB ASP 92 1HB ASP 92 -3.753 -1.426 -11.306 687 H ASP 93 HN ASP 93 -3.054 0.767 -12.979 688 HA ASP 93 HA ASP 93 -1.248 1.947 -10.996 689 1HB ASP 93 2HB ASP 93 -1.439 3.030 -13.824 690 2HB ASP 93 1HB ASP 93 -0.608 3.786 -12.475 691 H LEU 94 HN LEU 94 -2.058 4.078 -10.447 692 HA LEU 94 HA LEU 94 -4.443 5.244 -11.490 693 1HB LEU 94 1HB LEU 94 -5.546 3.314 -10.472 694 2HB LEU 94 2HB LEU 94 -4.600 3.475 -9.013 695 HG LEU 94 HG LEU 94 -5.823 5.675 -8.563 696 1HD1 LEU 94 2HD12 LEU 94 -7.327 4.736 -11.051 697 2HD1 LEU 94 1HD11 LEU 94 -7.931 5.990 -9.955 698 3HD1 LEU 94 3HD13 LEU 94 -6.452 6.262 -10.875 699 1HD2 LEU 94 1HD21 LEU 94 -6.512 3.535 -7.548 700 2HD2 LEU 94 2HD22 LEU 94 -7.889 4.593 -7.869 701 3HD2 LEU 94 3HD23 LEU 94 -7.565 3.214 -8.939 702 H VAL 95 HN VAL 95 -4.880 7.276 -10.226 703 HA VAL 95 HA VAL 95 -2.870 7.996 -8.218 704 HB VAL 95 HB VAL 95 -2.403 10.101 -9.439 705 1HG1 VAL 95 1HG21 VAL 95 -0.805 8.218 -9.547 706 2HG1 VAL 95 2HG22 VAL 95 -1.579 7.646 -11.042 707 3HG1 VAL 95 3HG23 VAL 95 -0.767 9.218 -11.006 708 1HG2 VAL 95 1HG11 VAL 95 -4.372 10.161 -10.952 709 2HG2 VAL 95 2HG12 VAL 95 -2.847 10.309 -11.836 710 3HG2 VAL 95 3HG13 VAL 95 -3.724 8.769 -11.847 711 H GLY 96 HN GLY 96 -3.412 9.974 -7.133 712 1HA GLY 96 1HA GLY 96 -4.769 11.696 -6.372 713 2HA GLY 96 2HA GLY 96 -5.939 11.356 -7.664 714 H ALA 97 HN ALA 97 -7.215 11.872 -5.501 715 HA ALA 97 HA ALA 97 -7.524 9.678 -3.616 716 1HB ALA 97 3HB ALA 97 -7.844 12.121 -3.072 717 2HB ALA 97 1HB ALA 97 -9.283 12.125 -4.104 718 3HB ALA 97 2HB ALA 97 -9.240 11.110 -2.646 719 H SER 98 HN SER 98 -7.860 8.597 -6.159 720 HA SER 98 HA SER 98 -10.676 8.558 -6.966 721 1HB SER 98 2HB SER 98 -8.289 6.928 -7.902 722 2HB SER 98 1HB SER 98 -9.840 7.153 -8.750 723 HG SER 98 HG SER 98 -7.638 8.764 -8.720 724 H GLN 99 HN GLN 99 -10.965 7.857 -4.534 725 HA GLN 99 HA GLN 99 -10.313 5.292 -3.606 726 1HB GLN 99 1HB GLN 99 -12.886 6.802 -2.960 727 2HB GLN 99 2HB GLN 99 -12.071 5.581 -1.971 728 1HG GLN 99 1HG GLN 99 -11.146 8.413 -2.582 729 2HG GLN 99 2HG GLN 99 -11.544 7.711 -1.029 730 1HE2 GLN 99 1HE21 GLN 99 -8.399 5.853 -0.831 731 2HE2 GLN 99 2HE22 GLN 99 -10.105 5.660 -0.458 732 H ASP 100 HN ASP 100 -13.111 6.244 -5.575 733 HA ASP 100 HA ASP 100 -14.538 3.765 -5.469 734 1HB ASP 100 1HB ASP 100 -15.690 4.594 -7.440 735 2HB ASP 100 2HB ASP 100 -15.515 5.906 -6.269 736 H LYS 101 HN LYS 101 -12.146 5.070 -7.796 737 HA LYS 101 HA LYS 101 -12.114 2.716 -9.404 738 1HB LYS 101 2HB LYS 101 -11.378 5.066 -10.065 739 2HB LYS 101 1HB LYS 101 -9.912 4.797 -9.127 740 1HG LYS 101 2HG LYS 101 -9.584 4.423 -11.542 741 2HG LYS 101 1HG LYS 101 -9.227 2.974 -10.597 742 1HD LYS 101 1HD LYS 101 -10.412 2.506 -12.707 743 2HD LYS 101 2HD LYS 101 -11.301 1.919 -11.307 744 1HE LYS 101 1HE LYS 101 -12.818 3.897 -11.430 745 2HE LYS 101 2HE LYS 101 -11.858 4.554 -12.769 746 1HZ LYS 101 1HZ LYS 101 -12.473 2.637 -14.050 747 2HZ LYS 101 3HZ LYS 101 -13.352 2.027 -12.794 748 3HZ LYS 101 2HZ LYS 101 -13.812 3.435 -13.516 749 H LEU 102 HN LEU 102 -10.114 3.796 -6.637 750 HA LEU 102 HA LEU 102 -8.216 1.705 -6.615 751 1HB LEU 102 1HB LEU 102 -7.935 3.556 -5.106 752 2HB LEU 102 2HB LEU 102 -9.524 3.310 -4.397 753 HG LEU 102 HG LEU 102 -8.782 1.141 -3.413 754 1HD1 LEU 102 2HD22 LEU 102 -6.859 0.697 -4.940 755 2HD1 LEU 102 1HD21 LEU 102 -6.022 2.113 -4.276 756 3HD1 LEU 102 3HD23 LEU 102 -6.375 0.711 -3.239 757 1HD2 LEU 102 2HD12 LEU 102 -8.913 3.296 -2.192 758 2HD2 LEU 102 1HD11 LEU 102 -7.695 2.189 -1.567 759 3HD2 LEU 102 3HD13 LEU 102 -7.202 3.585 -2.568 760 H LYS 103 HN LYS 103 -11.448 1.842 -4.950 761 HA LYS 103 HA LYS 103 -11.443 -0.782 -3.939 762 1HB LYS 103 1HB LYS 103 -13.691 1.017 -4.941 763 2HB LYS 103 2HB LYS 103 -13.964 -0.532 -4.144 764 1HG LYS 103 1HG LYS 103 -12.917 0.209 -2.112 765 2HG LYS 103 2HG LYS 103 -12.357 1.708 -2.864 766 1HD LYS 103 1HD LYS 103 -14.687 2.448 -3.213 767 2HD LYS 103 2HD LYS 103 -15.295 0.912 -2.575 768 1HE LYS 103 2HE LYS 103 -15.462 2.682 -0.885 769 2HE LYS 103 1HE LYS 103 -14.348 1.415 -0.357 770 1HZ LYS 103 3HZ LYS 103 -13.575 3.982 -1.567 771 2HZ LYS 103 1HZ LYS 103 -13.497 3.615 0.040 772 3HZ LYS 103 2HZ LYS 103 -12.535 2.819 -1.034 773 H ALA 104 HN ALA 104 -12.717 0.410 -7.097 774 HA ALA 104 HA ALA 104 -13.571 -2.074 -8.103 775 1HB ALA 104 3HB ALA 104 -14.070 0.123 -9.136 776 2HB ALA 104 1HB ALA 104 -12.380 0.260 -9.667 777 3HB ALA 104 2HB ALA 104 -13.410 -1.030 -10.314 778 H LEU 105 HN LEU 105 -10.297 -0.557 -8.420 779 HA LEU 105 HA LEU 105 -9.234 -2.701 -10.013 780 1HB LEU 105 2HB LEU 105 -7.872 -0.619 -8.246 781 2HB LEU 105 1HB LEU 105 -7.012 -1.781 -9.259 782 HG LEU 105 HG LEU 105 -8.851 0.438 -10.242 783 1HD1 LEU 105 3HD13 LEU 105 -6.559 1.082 -9.505 784 2HD1 LEU 105 2HD12 LEU 105 -5.878 -0.101 -10.637 785 3HD1 LEU 105 1HD11 LEU 105 -6.790 1.291 -11.253 786 1HD2 LEU 105 1HD21 LEU 105 -7.554 -1.848 -11.752 787 2HD2 LEU 105 3HD23 LEU 105 -9.260 -1.346 -11.775 788 3HD2 LEU 105 2HD22 LEU 105 -8.035 -0.328 -12.534 789 H VAL 106 HN VAL 106 -9.083 -2.066 -6.449 790 HA VAL 106 HA VAL 106 -7.518 -4.343 -5.820 791 HB VAL 106 HB VAL 106 -9.757 -2.989 -4.254 792 1HG1 VAL 106 2HG22 VAL 106 -9.438 -5.344 -3.447 793 2HG1 VAL 106 1HG21 VAL 106 -7.705 -5.033 -3.268 794 3HG1 VAL 106 3HG23 VAL 106 -8.897 -4.148 -2.282 795 1HG2 VAL 106 2HG12 VAL 106 -7.674 -1.631 -4.726 796 2HG2 VAL 106 1HG11 VAL 106 -7.933 -1.961 -3.005 797 3HG2 VAL 106 3HG13 VAL 106 -6.727 -2.889 -3.925 798 H ALA 107 HN ALA 107 -11.060 -4.006 -5.945 799 HA ALA 107 HA ALA 107 -11.745 -6.688 -5.461 800 1HB ALA 107 2HB ALA 107 -13.394 -4.855 -5.565 801 2HB ALA 107 3HB ALA 107 -13.153 -4.707 -7.317 802 3HB ALA 107 1HB ALA 107 -13.862 -6.187 -6.640 803 H LYS 108 HN LYS 108 -11.251 -5.167 -8.695 804 HA LYS 108 HA LYS 108 -11.565 -7.461 -10.272 805 1HB LYS 108 2HB LYS 108 -11.440 -5.210 -11.149 806 2HB LYS 108 1HB LYS 108 -9.772 -5.016 -10.604 807 1HG LYS 108 2HG LYS 108 -9.075 -6.861 -12.180 808 2HG LYS 108 1HG LYS 108 -10.736 -6.901 -12.792 809 1HD LYS 108 2HD LYS 108 -8.800 -4.529 -12.833 810 2HD LYS 108 1HD LYS 108 -9.188 -5.579 -14.202 811 1HE LYS 108 1HE LYS 108 -11.584 -4.823 -14.059 812 2HE LYS 108 2HE LYS 108 -11.119 -3.685 -12.777 813 1HZ LYS 108 3HZ LYS 108 -9.623 -2.649 -14.307 814 2HZ LYS 108 1HZ LYS 108 -10.058 -3.691 -15.507 815 3HZ LYS 108 2HZ LYS 108 -11.163 -2.636 -14.893 816 H HIS 109 HN HIS 109 -8.438 -6.083 -9.187 817 HA HIS 109 HA HIS 109 -6.896 -8.285 -10.211 818 1HB HIS 109 1HB HIS 109 -6.230 -5.961 -8.370 819 2HB HIS 109 2HB HIS 109 -5.048 -7.127 -8.975 820 HD2 HIS 109 HD2 HIS 109 -7.249 -4.184 -10.443 821 HE1 HIS 109 HE1 HIS 109 -4.416 -5.358 -13.318 822 HE2 HIS 109 HE2 HIS 109 -6.160 -3.617 -12.750 823 H ALA 110 HN ALA 110 -8.547 -7.843 -7.137 824 HA ALA 110 HA ALA 110 -7.021 -9.947 -5.779 825 1HB ALA 110 1HB ALA 110 -9.671 -8.627 -5.096 826 2HB ALA 110 3HB ALA 110 -8.743 -9.728 -4.057 827 3HB ALA 110 2HB ALA 110 -8.066 -8.147 -4.485 828 H ALA 111 HN ALA 111 -10.123 -9.586 -7.559 829 HA ALA 111 HA ALA 111 -11.055 -12.248 -6.999 830 1HB ALA 111 3HB ALA 111 -12.575 -10.383 -7.530 831 2HB ALA 111 2HB ALA 111 -11.862 -10.248 -9.155 832 3HB ALA 111 1HB ALA 111 -12.764 -11.708 -8.695 833 H ALA 112 HN ALA 112 -9.269 -10.786 -9.731 834 HA ALA 112 HA ALA 112 -8.654 -13.520 -10.742 835 1HB ALA 112 3HB ALA 112 -9.702 -11.198 -12.419 836 2HB ALA 112 2HB ALA 112 -9.099 -12.750 -13.042 837 3HB ALA 112 1HB ALA 112 -10.581 -12.704 -12.062 No H/Q in entry = 837 Start of MODEL 23 1 1H GLY 1 1HN GLY 1 -1.133 -11.032 0.948 2 2H GLY 1 2HN GLY 1 -0.276 -12.368 0.444 3 3H GLY 1 3HN GLY 1 -1.778 -12.510 1.118 4 1HA GLY 1 1HA GLY 1 -0.400 -13.125 2.849 5 2HA GLY 1 2HA GLY 1 0.657 -11.735 2.519 6 H GLY 2 HN GLY 2 -0.004 -11.673 5.042 7 1HA GLY 2 1HA GLY 2 -2.523 -10.263 5.574 8 2HA GLY 2 2HA GLY 2 -1.200 -10.591 6.701 9 H SER 3 HN SER 3 0.511 -9.394 4.230 10 HA SER 3 HA SER 3 1.346 -7.078 5.272 11 1HB SER 3 1HB SER 3 1.152 -7.669 2.312 12 2HB SER 3 2HB SER 3 2.490 -6.914 3.182 13 HG SER 3 HG SER 3 3.081 -8.899 3.909 14 H VAL 4 HN VAL 4 -0.077 -5.451 5.894 15 HA VAL 4 HA VAL 4 -1.262 -3.792 3.747 16 HB VAL 4 HB VAL 4 -2.975 -3.264 5.451 17 1HG1 VAL 4 3HG13 VAL 4 -3.478 -5.017 3.706 18 2HG1 VAL 4 2HG12 VAL 4 -2.905 -6.258 4.825 19 3HG1 VAL 4 1HG11 VAL 4 -4.327 -5.303 5.238 20 1HG2 VAL 4 3HG23 VAL 4 -1.831 -3.849 7.496 21 2HG2 VAL 4 2HG22 VAL 4 -3.412 -4.632 7.354 22 3HG2 VAL 4 1HG21 VAL 4 -1.937 -5.575 7.069 23 H ILE 5 HN ILE 5 1.387 -3.810 4.931 24 HA ILE 5 HA ILE 5 1.425 -1.885 7.128 25 HB ILE 5 HB ILE 5 3.896 -2.363 7.078 26 1HG1 ILE 5 2HG12 ILE 5 4.769 -4.218 5.849 27 2HG1 ILE 5 1HG11 ILE 5 3.242 -4.550 5.045 28 1HG2 ILE 5 3HG23 ILE 5 2.301 -3.591 8.497 29 2HG2 ILE 5 2HG22 ILE 5 2.052 -4.783 7.204 30 3HG2 ILE 5 1HG21 ILE 5 3.642 -4.617 7.969 31 1HD1 ILE 5 3HD13 ILE 5 4.791 -1.951 4.642 32 2HD1 ILE 5 1HD11 ILE 5 5.033 -3.396 3.660 33 3HD1 ILE 5 2HD12 ILE 5 3.457 -2.605 3.657 34 H VAL 6 HN VAL 6 3.135 -0.258 7.247 35 HA VAL 6 HA VAL 6 3.405 1.359 4.810 36 HB VAL 6 HB VAL 6 1.636 2.167 6.394 37 1HG1 VAL 6 1HG21 VAL 6 2.539 1.349 8.528 38 2HG1 VAL 6 3HG23 VAL 6 3.898 2.489 8.411 39 3HG1 VAL 6 2HG22 VAL 6 2.239 3.088 8.591 40 1HG2 VAL 6 1HG11 VAL 6 3.066 3.778 5.021 41 2HG2 VAL 6 2HG12 VAL 6 2.172 4.437 6.407 42 3HG2 VAL 6 3HG13 VAL 6 3.911 4.154 6.536 43 H ILE 7 HN ILE 7 5.160 -0.616 6.269 44 HA ILE 7 HA ILE 7 7.481 1.111 6.995 45 HB ILE 7 HB ILE 7 7.148 -0.844 8.380 46 1HG1 ILE 7 2HG12 ILE 7 9.660 -0.798 6.621 47 2HG1 ILE 7 1HG11 ILE 7 9.338 0.097 8.102 48 1HG2 ILE 7 2HG22 ILE 7 6.157 -2.370 6.603 49 2HG2 ILE 7 3HG23 ILE 7 7.800 -2.665 6.021 50 3HG2 ILE 7 1HG21 ILE 7 7.345 -3.099 7.670 51 1HD1 ILE 7 2HD12 ILE 7 9.196 -2.037 9.380 52 2HD1 ILE 7 1HD11 ILE 7 9.648 -2.926 7.907 53 3HD1 ILE 7 3HD13 ILE 7 10.779 -1.767 8.619 54 H ASP 8 HN ASP 8 7.169 2.135 4.964 55 HA ASP 8 HA ASP 8 7.424 0.805 2.476 56 1HB ASP 8 2HB ASP 8 7.441 2.921 1.533 57 2HB ASP 8 1HB ASP 8 6.417 3.057 2.988 58 H SER 9 HN SER 9 9.908 1.648 4.728 59 HA SER 9 HA SER 9 12.115 2.323 3.442 60 1HB SER 9 1HB SER 9 12.059 -0.072 5.290 61 2HB SER 9 2HB SER 9 13.328 1.161 5.121 62 HG SER 9 HG SER 9 11.699 2.695 5.876 63 H LYS 10 HN LYS 10 12.981 1.678 1.511 64 HA LYS 10 HA LYS 10 12.292 -0.190 -0.196 65 1HB LYS 10 2HB LYS 10 14.506 -0.143 -1.150 66 2HB LYS 10 1HB LYS 10 13.752 1.413 -0.715 67 1HG LYS 10 1HG LYS 10 15.265 1.447 1.353 68 2HG LYS 10 2HG LYS 10 16.067 0.001 0.715 69 1HD LYS 10 2HD LYS 10 15.909 2.728 -0.648 70 2HD LYS 10 1HD LYS 10 17.307 2.061 0.210 71 1HE LYS 10 2HE LYS 10 17.351 0.149 -1.445 72 2HE LYS 10 1HE LYS 10 16.071 0.966 -2.362 73 1HZ LYS 10 3HZ LYS 10 17.524 2.831 -2.627 74 2HZ LYS 10 2HZ LYS 10 18.722 2.069 -1.789 75 3HZ LYS 10 1HZ LYS 10 18.209 1.459 -3.230 76 H ALA 11 HN ALA 11 14.657 -0.919 2.330 77 HA ALA 11 HA ALA 11 15.246 -3.622 1.536 78 1HB ALA 11 1HB ALA 11 15.223 -2.409 4.342 79 2HB ALA 11 2HB ALA 11 15.990 -3.942 3.875 80 3HB ALA 11 3HB ALA 11 16.593 -2.413 3.208 81 H ALA 12 HN ALA 12 12.769 -2.301 3.732 82 HA ALA 12 HA ALA 12 11.620 -4.853 4.502 83 1HB ALA 12 2HB ALA 12 11.488 -2.813 5.932 84 2HB ALA 12 1HB ALA 12 10.471 -2.034 4.698 85 3HB ALA 12 3HB ALA 12 9.897 -3.490 5.527 86 H TRP 13 HN TRP 13 10.870 -2.247 2.178 87 HA TRP 13 HA TRP 13 8.489 -3.133 1.004 88 1HB TRP 13 1HB TRP 13 9.322 -1.018 0.227 89 2HB TRP 13 2HB TRP 13 10.903 -1.650 0.166 90 HD1 TRP 13 HD1 TRP 13 11.939 -2.491 -1.987 91 HE1 TRP 13 HE1 TRP 13 11.232 -2.550 -4.433 92 HE3 TRP 13 HE3 TRP 13 7.035 -1.143 -1.431 93 HZ2 TRP 13 HZ2 TRP 13 8.917 -1.940 -5.969 94 HZ3 TRP 13 HZ3 TRP 13 5.623 -0.804 -3.440 95 HH2 TRP 13 HH2 TRP 13 6.565 -1.161 -5.714 96 H ASP 14 HN ASP 14 11.827 -3.908 -0.151 97 HA ASP 14 HA ASP 14 11.050 -5.858 -2.040 98 1HB ASP 14 2HB ASP 14 13.629 -5.570 -0.423 99 2HB ASP 14 1HB ASP 14 13.419 -6.726 -1.744 100 H ALA 15 HN ALA 15 12.093 -6.299 1.336 101 HA ALA 15 HA ALA 15 11.861 -9.102 1.436 102 1HB ALA 15 3HB ALA 15 12.911 -7.715 3.206 103 2HB ALA 15 1HB ALA 15 11.308 -7.107 3.675 104 3HB ALA 15 2HB ALA 15 11.697 -8.826 3.871 105 H GLN 16 HN GLN 16 9.348 -6.629 1.948 106 HA GLN 16 HA GLN 16 7.328 -8.404 2.884 107 1HB GLN 16 1HB GLN 16 7.434 -5.831 3.093 108 2HB GLN 16 2HB GLN 16 6.867 -5.771 1.424 109 1HG GLN 16 2HG GLN 16 4.951 -5.565 2.874 110 2HG GLN 16 1HG GLN 16 4.870 -7.158 2.123 111 1HE2 GLN 16 2HE22 GLN 16 5.994 -7.026 6.121 112 2HE2 GLN 16 1HE21 GLN 16 6.612 -5.796 5.037 113 H LEU 17 HN LEU 17 8.095 -7.039 -0.394 114 HA LEU 17 HA LEU 17 5.964 -8.359 -1.745 115 1HB LEU 17 2HB LEU 17 8.772 -7.646 -2.731 116 2HB LEU 17 1HB LEU 17 7.402 -8.114 -3.733 117 HG LEU 17 HG LEU 17 7.655 -5.570 -2.084 118 1HD1 LEU 17 2HD22 LEU 17 8.889 -5.609 -4.217 119 2HD1 LEU 17 1HD21 LEU 17 7.395 -6.053 -5.074 120 3HD1 LEU 17 3HD23 LEU 17 7.526 -4.477 -4.267 121 1HD2 LEU 17 2HD12 LEU 17 5.274 -6.653 -3.608 122 2HD2 LEU 17 1HD11 LEU 17 5.343 -6.203 -1.888 123 3HD2 LEU 17 3HD13 LEU 17 5.464 -4.949 -3.123 124 H ALA 18 HN ALA 18 9.375 -9.392 -1.284 125 HA ALA 18 HA ALA 18 9.180 -11.887 -2.523 126 1HB ALA 18 3HB ALA 18 11.277 -10.838 -1.793 127 2HB ALA 18 1HB ALA 18 10.840 -11.087 -0.090 128 3HB ALA 18 2HB ALA 18 11.140 -12.487 -1.143 129 H LYS 19 HN LYS 19 8.779 -11.308 1.074 130 HA LYS 19 HA LYS 19 8.056 -14.048 1.534 131 1HB LYS 19 2HB LYS 19 7.644 -13.352 3.774 132 2HB LYS 19 1HB LYS 19 9.065 -12.469 3.192 133 1HG LYS 19 2HG LYS 19 7.379 -10.585 2.621 134 2HG LYS 19 1HG LYS 19 6.225 -11.452 3.588 135 1HD LYS 19 2HD LYS 19 8.908 -10.289 4.471 136 2HD LYS 19 1HD LYS 19 7.303 -9.720 4.946 137 1HE LYS 19 2HE LYS 19 8.594 -12.375 5.740 138 2HE LYS 19 1HE LYS 19 8.339 -10.967 6.775 139 1HZ LYS 19 1HZ LYS 19 5.983 -11.245 6.480 140 2HZ LYS 19 3HZ LYS 19 6.223 -12.572 5.532 141 3HZ LYS 19 2HZ LYS 19 6.663 -12.604 7.120 142 H GLY 20 HN GLY 20 6.262 -11.433 0.131 143 1HA GLY 20 1HA GLY 20 3.653 -12.046 1.055 144 2HA GLY 20 2HA GLY 20 4.115 -11.192 -0.434 145 H LYS 21 HN LYS 21 5.790 -13.609 -1.294 146 HA LYS 21 HA LYS 21 5.547 -15.366 -2.712 147 1HB LYS 21 2HB LYS 21 3.242 -16.120 -0.852 148 2HB LYS 21 1HB LYS 21 3.986 -17.166 -2.070 149 1HG LYS 21 1HG LYS 21 6.178 -16.964 -0.943 150 2HG LYS 21 2HG LYS 21 5.454 -15.907 0.282 151 1HD LYS 21 1HD LYS 21 3.897 -17.730 0.940 152 2HD LYS 21 2HD LYS 21 4.645 -18.799 -0.265 153 1HE LYS 21 2HE LYS 21 6.837 -18.567 0.906 154 2HE LYS 21 1HE LYS 21 6.080 -17.498 2.104 155 1HZ LYS 21 3HZ LYS 21 4.659 -19.309 2.728 156 2HZ LYS 21 2HZ LYS 21 5.361 -20.304 1.616 157 3HZ LYS 21 1HZ LYS 21 6.242 -19.735 2.886 158 H GLU 22 HN GLU 22 5.031 -13.686 -4.193 159 HA GLU 22 HA GLU 22 2.414 -12.888 -4.965 160 1HB GLU 22 1HB GLU 22 4.974 -12.720 -6.602 161 2HB GLU 22 2HB GLU 22 3.542 -11.701 -6.690 162 1HG GLU 22 2HG GLU 22 4.796 -10.282 -5.482 163 2HG GLU 22 1HG GLU 22 4.235 -11.220 -4.091 164 H GLU 23 HN GLU 23 2.113 -15.594 -5.019 165 HA GLU 23 HA GLU 23 2.582 -16.801 -7.586 166 1HB GLU 23 2HB GLU 23 0.277 -17.556 -5.730 167 2HB GLU 23 1HB GLU 23 1.153 -18.556 -6.891 168 1HG GLU 23 2HG GLU 23 2.090 -17.539 -4.184 169 2HG GLU 23 1HG GLU 23 1.913 -19.199 -4.732 170 H HIS 24 HN HIS 24 -0.456 -15.534 -6.209 171 HA HIS 24 HA HIS 24 -1.136 -14.057 -8.600 172 1HB HIS 24 1HB HIS 24 -2.161 -16.075 -9.406 173 2HB HIS 24 2HB HIS 24 -2.829 -16.453 -7.810 174 HD2 HIS 24 HD2 HIS 24 -3.271 -12.824 -9.277 175 HE1 HIS 24 HE1 HIS 24 -7.061 -14.658 -8.929 176 HE2 HIS 24 HE2 HIS 24 -5.869 -12.436 -9.291 177 H LYS 25 HN LYS 25 -1.044 -12.292 -7.218 178 HA LYS 25 HA LYS 25 -3.369 -11.805 -5.635 179 1HB LYS 25 1HB LYS 25 -2.016 -11.314 -3.540 180 2HB LYS 25 2HB LYS 25 -2.333 -13.013 -3.903 181 1HG LYS 25 1HG LYS 25 0.010 -13.155 -4.902 182 2HG LYS 25 2HG LYS 25 0.271 -11.489 -4.373 183 1HD LYS 25 1HD LYS 25 1.237 -13.017 -2.785 184 2HD LYS 25 2HD LYS 25 -0.124 -12.210 -2.014 185 1HE LYS 25 2HE LYS 25 -1.519 -14.210 -2.199 186 2HE LYS 25 1HE LYS 25 -0.390 -14.940 -3.359 187 1HZ LYS 25 3HZ LYS 25 1.229 -15.072 -1.657 188 2HZ LYS 25 1HZ LYS 25 0.206 -14.437 -0.539 189 3HZ LYS 25 2HZ LYS 25 -0.136 -15.898 -1.230 190 HA PRO 26 HA PRO 26 -1.755 -7.981 -7.211 191 1HB PRO 26 2HB PRO 26 -3.511 -6.167 -6.188 192 2HB PRO 26 1HB PRO 26 -3.942 -7.339 -7.455 193 1HG PRO 26 1HG PRO 26 -4.406 -7.569 -4.473 194 2HG PRO 26 2HG PRO 26 -5.591 -7.834 -5.787 195 1HD PRO 26 2HD PRO 26 -4.242 -9.928 -4.635 196 2HD PRO 26 1HD PRO 26 -4.596 -9.902 -6.387 197 H ILE 27 HN ILE 27 0.009 -6.978 -6.628 198 HA ILE 27 HA ILE 27 0.582 -6.310 -3.826 199 HB ILE 27 HB ILE 27 2.186 -6.243 -6.408 200 1HG1 ILE 27 2HG12 ILE 27 3.712 -7.724 -5.307 201 2HG1 ILE 27 1HG11 ILE 27 2.886 -7.566 -3.756 202 1HG2 ILE 27 1HG21 ILE 27 3.011 -5.114 -3.704 203 2HG2 ILE 27 3HG23 ILE 27 4.077 -5.337 -5.116 204 3HG2 ILE 27 2HG22 ILE 27 2.772 -4.170 -5.186 205 1HD1 ILE 27 3HD13 ILE 27 1.636 -8.818 -6.233 206 2HD1 ILE 27 1HD11 ILE 27 2.473 -9.732 -4.966 207 3HD1 ILE 27 2HD12 ILE 27 0.995 -8.861 -4.569 208 H VAL 28 HN VAL 28 -0.805 -4.651 -3.369 209 HA VAL 28 HA VAL 28 -1.355 -2.541 -5.406 210 HB VAL 28 HB VAL 28 -2.739 -2.961 -2.731 211 1HG1 VAL 28 3HG13 VAL 28 -2.958 -0.720 -3.818 212 2HG1 VAL 28 2HG12 VAL 28 -3.542 -1.505 -5.293 213 3HG1 VAL 28 1HG11 VAL 28 -4.496 -1.609 -3.803 214 1HG2 VAL 28 2HG22 VAL 28 -3.082 -5.009 -4.070 215 2HG2 VAL 28 3HG23 VAL 28 -4.546 -4.049 -3.931 216 3HG2 VAL 28 1HG21 VAL 28 -3.618 -4.000 -5.442 217 H VAL 29 HN VAL 29 0.118 -0.842 -5.225 218 HA VAL 29 HA VAL 29 0.899 -0.110 -2.417 219 HB VAL 29 HB VAL 29 2.840 -0.982 -3.208 220 1HG1 VAL 29 1HG11 VAL 29 2.507 0.587 -5.745 221 2HG1 VAL 29 3HG13 VAL 29 3.964 -0.330 -5.270 222 3HG1 VAL 29 2HG12 VAL 29 2.444 -1.191 -5.572 223 1HG2 VAL 29 2HG22 VAL 29 2.939 1.249 -2.092 224 2HG2 VAL 29 1HG21 VAL 29 4.311 0.962 -3.176 225 3HG2 VAL 29 3HG23 VAL 29 3.004 2.030 -3.679 226 H ASP 30 HN ASP 30 0.490 1.733 -1.746 227 HA ASP 30 HA ASP 30 -0.773 3.851 -3.380 228 1HB ASP 30 1HB ASP 30 -1.858 3.014 -1.303 229 2HB ASP 30 2HB ASP 30 -0.432 3.408 -0.375 230 H PHE 31 HN PHE 31 1.022 4.856 -4.423 231 HA PHE 31 HA PHE 31 3.391 5.572 -2.756 232 1HB PHE 31 1HB PHE 31 2.772 5.885 -5.709 233 2HB PHE 31 2HB PHE 31 4.166 6.552 -4.896 234 HD1 PHE 31 HD1 PHE 31 5.837 5.073 -3.761 235 HD2 PHE 31 HD2 PHE 31 2.827 3.574 -6.461 236 HE1 PHE 31 HE1 PHE 31 7.230 3.073 -4.204 237 HE2 PHE 31 HE2 PHE 31 4.273 1.614 -6.953 238 HZ PHE 31 HZ PHE 31 6.452 1.349 -5.823 239 H THR 32 HN THR 32 2.784 7.194 -1.387 240 HA THR 32 HA THR 32 1.734 9.661 -2.605 241 HB THR 32 HB THR 32 -0.168 8.530 -1.487 242 HG1 THR 32 HG1 THR 32 -0.743 10.268 -0.256 243 1HG2 THR 32 3HG23 THR 32 1.079 7.161 0.172 244 2HG2 THR 32 1HG21 THR 32 1.518 8.633 1.066 245 3HG2 THR 32 2HG22 THR 32 -0.181 8.129 0.938 246 H ALA 33 HN ALA 33 1.919 11.168 -0.115 247 HA ALA 33 HA ALA 33 4.715 10.763 0.741 248 1HB ALA 33 1HB ALA 33 3.972 13.085 -1.091 249 2HB ALA 33 3HB ALA 33 5.477 12.981 -0.169 250 3HB ALA 33 2HB ALA 33 5.137 11.795 -1.434 251 H THR 34 HN THR 34 4.609 11.149 2.833 252 HA THR 34 HA THR 34 3.010 12.606 4.470 253 HB THR 34 HB THR 34 6.053 12.362 4.414 254 HG1 THR 34 HG1 THR 34 4.757 10.467 4.707 255 1HG2 THR 34 1HG21 THR 34 4.326 13.416 6.676 256 2HG2 THR 34 2HG22 THR 34 6.013 12.862 6.830 257 3HG2 THR 34 3HG23 THR 34 5.644 14.276 5.831 258 H TRP 35 HN TRP 35 5.716 13.994 2.622 259 HA TRP 35 HA TRP 35 5.751 16.587 3.223 260 1HB TRP 35 1HB TRP 35 6.664 15.033 1.120 261 2HB TRP 35 2HB TRP 35 5.584 16.110 0.272 262 HD1 TRP 35 HD1 TRP 35 8.822 15.930 2.155 263 HE1 TRP 35 HE1 TRP 35 10.130 18.185 1.929 264 HE3 TRP 35 HE3 TRP 35 5.160 18.795 0.050 265 HZ2 TRP 35 HZ2 TRP 35 9.593 20.849 1.012 266 HZ3 TRP 35 HZ3 TRP 35 5.531 21.187 -0.402 267 HH2 TRP 35 HH2 TRP 35 7.756 22.227 0.043 268 H CYS 36 HN CYS 36 3.192 15.200 1.070 269 HA CYS 36 HA CYS 36 1.938 17.918 0.929 270 1HB CYS 36 1HB CYS 36 0.599 16.976 -0.924 271 2HB CYS 36 2HB CYS 36 2.316 17.166 -1.201 272 H GLY 37 HN GLY 37 1.852 16.262 3.331 273 1HA GLY 37 1HA GLY 37 0.387 15.374 4.851 274 2HA GLY 37 2HA GLY 37 -0.278 16.990 4.614 275 HA PRO 38 HA PRO 38 -4.293 15.313 3.662 276 1HB PRO 38 1HB PRO 38 -4.016 16.934 1.109 277 2HB PRO 38 2HB PRO 38 -5.478 16.708 2.118 278 1HG PRO 38 2HG PRO 38 -3.991 18.941 2.447 279 2HG PRO 38 1HG PRO 38 -4.520 18.030 3.892 280 1HD PRO 38 2HD PRO 38 -1.808 18.036 2.579 281 2HD PRO 38 1HD PRO 38 -2.238 18.011 4.312 282 H CYS 39 HN CYS 39 -1.954 15.297 0.975 283 HA CYS 39 HA CYS 39 -3.190 13.232 -0.573 284 1HB CYS 39 2HB CYS 39 -1.170 13.143 -1.784 285 2HB CYS 39 1HB CYS 39 -1.317 14.828 -1.275 286 H LYS 40 HN LYS 40 -1.010 13.157 2.257 287 HA LYS 40 HA LYS 40 -0.535 10.276 2.084 288 1HB LYS 40 1HB LYS 40 1.145 11.879 2.909 289 2HB LYS 40 2HB LYS 40 0.130 12.273 4.294 290 1HG LYS 40 1HG LYS 40 0.830 9.377 3.753 291 2HG LYS 40 2HG LYS 40 2.105 10.410 4.362 292 1HD LYS 40 1HD LYS 40 -0.592 10.132 5.768 293 2HD LYS 40 2HD LYS 40 0.787 9.092 6.100 294 1HE LYS 40 1HE LYS 40 0.885 12.135 6.392 295 2HE LYS 40 2HE LYS 40 0.495 11.010 7.696 296 1HZ LYS 40 2HZ LYS 40 2.620 9.983 7.397 297 2HZ LYS 40 1HZ LYS 40 3.027 11.040 6.205 298 3HZ LYS 40 3HZ LYS 40 2.778 11.586 7.735 299 H MET 41 HN MET 41 -2.740 12.524 3.681 300 HA MET 41 HA MET 41 -3.852 10.641 5.583 301 1HB MET 41 1HB MET 41 -5.072 13.134 4.310 302 2HB MET 41 2HB MET 41 -5.745 12.259 5.686 303 1HG MET 41 2HG MET 41 -3.811 12.732 7.055 304 2HG MET 41 1HG MET 41 -2.970 13.496 5.705 305 1HE MET 41 2HE MET 41 -3.120 14.862 8.478 306 2HE MET 41 3HE MET 41 -2.362 15.604 7.044 307 3HE MET 41 1HE MET 41 -3.533 16.529 8.014 308 H ILE 42 HN ILE 42 -4.009 10.446 2.198 309 HA ILE 42 HA ILE 42 -6.602 9.081 2.165 310 HB ILE 42 HB ILE 42 -4.321 9.394 0.189 311 1HG1 ILE 42 1HG11 ILE 42 -7.223 10.356 0.083 312 2HG1 ILE 42 2HG12 ILE 42 -5.964 11.314 0.862 313 1HG2 ILE 42 1HG21 ILE 42 -6.936 7.853 -0.090 314 2HG2 ILE 42 3HG23 ILE 42 -5.914 8.331 -1.461 315 3HG2 ILE 42 2HG22 ILE 42 -5.283 7.218 -0.250 316 1HD1 ILE 42 2HD12 ILE 42 -4.676 11.413 -1.217 317 2HD1 ILE 42 1HD11 ILE 42 -5.980 10.546 -2.064 318 3HD1 ILE 42 3HD13 ILE 42 -6.285 12.140 -1.358 319 H ALA 43 HN ALA 43 -3.273 8.268 2.980 320 HA ALA 43 HA ALA 43 -3.220 5.509 2.591 321 1HB ALA 43 1HB ALA 43 -1.284 6.817 3.289 322 2HB ALA 43 2HB ALA 43 -1.998 7.101 4.888 323 3HB ALA 43 3HB ALA 43 -1.557 5.461 4.394 324 HA PRO 44 HA PRO 44 -5.347 4.674 6.841 325 1HB PRO 44 2HB PRO 44 -7.028 6.612 7.883 326 2HB PRO 44 1HB PRO 44 -5.327 6.372 8.370 327 1HG PRO 44 1HG PRO 44 -6.407 8.285 6.298 328 2HG PRO 44 2HG PRO 44 -5.286 8.666 7.641 329 1HD PRO 44 2HD PRO 44 -4.226 8.224 5.238 330 2HD PRO 44 1HD PRO 44 -3.518 7.383 6.628 331 H LEU 45 HN LEU 45 -6.852 6.698 4.336 332 HA LEU 45 HA LEU 45 -9.455 5.352 4.565 333 1HB LEU 45 1HB LEU 45 -8.182 7.144 2.477 334 2HB LEU 45 2HB LEU 45 -9.615 6.222 2.088 335 HG LEU 45 HG LEU 45 -10.004 8.566 2.797 336 1HD1 LEU 45 1HD21 LEU 45 -11.795 6.856 2.834 337 2HD1 LEU 45 2HD22 LEU 45 -11.401 6.475 4.524 338 3HD1 LEU 45 3HD23 LEU 45 -12.005 8.082 4.094 339 1HD2 LEU 45 2HD12 LEU 45 -8.354 8.674 4.629 340 2HD2 LEU 45 1HD11 LEU 45 -9.977 9.194 5.119 341 3HD2 LEU 45 3HD13 LEU 45 -9.382 7.597 5.608 342 H PHE 46 HN PHE 46 -6.594 4.981 2.457 343 HA PHE 46 HA PHE 46 -7.414 2.672 1.021 344 1HB PHE 46 1HB PHE 46 -5.527 3.988 0.340 345 2HB PHE 46 2HB PHE 46 -4.704 3.743 1.865 346 HD1 PHE 46 HD2 PHE 46 -6.071 1.655 -0.975 347 HD2 PHE 46 HD1 PHE 46 -2.986 2.179 1.975 348 HE1 PHE 46 HE2 PHE 46 -4.566 0.191 -2.285 349 HE2 PHE 46 HE1 PHE 46 -1.490 0.664 0.676 350 HZ PHE 46 HZ PHE 46 -2.222 -0.241 -1.487 351 H GLU 47 HN GLU 47 -5.927 3.003 4.247 352 HA GLU 47 HA GLU 47 -5.320 0.393 4.865 353 1HB GLU 47 1HB GLU 47 -5.054 2.452 6.338 354 2HB GLU 47 2HB GLU 47 -6.757 2.230 6.793 355 1HG GLU 47 2HG GLU 47 -5.451 1.267 8.510 356 2HG GLU 47 1HG GLU 47 -6.221 -0.059 7.645 357 H THR 48 HN THR 48 -8.591 1.850 4.646 358 HA THR 48 HA THR 48 -10.045 -0.226 5.885 359 HB THR 48 HB THR 48 -11.012 1.328 3.448 360 HG1 THR 48 HG1 THR 48 -10.208 2.902 4.670 361 1HG2 THR 48 1HG21 THR 48 -12.543 -0.388 4.416 362 2HG2 THR 48 3HG23 THR 48 -12.391 0.392 6.007 363 3HG2 THR 48 2HG22 THR 48 -13.155 1.259 4.661 364 H LEU 49 HN LEU 49 -9.139 0.194 2.404 365 HA LEU 49 HA LEU 49 -10.336 -2.299 1.563 366 1HB LEU 49 2HB LEU 49 -8.258 -0.479 0.303 367 2HB LEU 49 1HB LEU 49 -8.816 -1.989 -0.425 368 HG LEU 49 HG LEU 49 -11.102 -1.175 -0.525 369 1HD1 LEU 49 2HD22 LEU 49 -9.942 1.387 0.634 370 2HD1 LEU 49 3HD23 LEU 49 -11.485 1.330 -0.246 371 3HD1 LEU 49 1HD21 LEU 49 -11.312 0.426 1.257 372 1HD2 LEU 49 1HD11 LEU 49 -9.008 0.681 -1.737 373 2HD2 LEU 49 3HD13 LEU 49 -9.564 -0.860 -2.425 374 3HD2 LEU 49 2HD12 LEU 49 -10.673 0.519 -2.319 375 H SER 50 HN SER 50 -7.102 -1.240 2.547 376 HA SER 50 HA SER 50 -5.573 -3.603 2.187 377 1HB SER 50 1HB SER 50 -5.285 -1.927 4.678 378 2HB SER 50 2HB SER 50 -4.081 -2.775 3.711 379 HG SER 50 HG SER 50 -5.482 -0.505 2.766 380 H ASN 51 HN ASN 51 -7.499 -2.710 5.082 381 HA ASN 51 HA ASN 51 -7.227 -5.168 6.479 382 1HB ASN 51 2HB ASN 51 -8.090 -3.328 7.676 383 2HB ASN 51 1HB ASN 51 -9.294 -2.933 6.458 384 1HD2 ASN 51 1HD21 ASN 51 -11.755 -5.170 7.706 385 2HD2 ASN 51 2HD22 ASN 51 -11.345 -4.159 6.338 386 H ASP 52 HN ASP 52 -9.898 -4.009 4.393 387 HA ASP 52 HA ASP 52 -11.566 -6.204 4.506 388 1HB ASP 52 2HB ASP 52 -11.014 -4.432 2.079 389 2HB ASP 52 1HB ASP 52 -12.450 -5.434 2.328 390 H TYR 53 HN TYR 53 -8.846 -5.757 2.231 391 HA TYR 53 HA TYR 53 -9.347 -8.433 1.040 392 1HB TYR 53 1HB TYR 53 -7.636 -6.019 0.356 393 2HB TYR 53 2HB TYR 53 -7.449 -7.576 -0.429 394 HD1 TYR 53 HD1 TYR 53 -9.813 -4.731 -0.055 395 HD2 TYR 53 HD2 TYR 53 -8.980 -8.493 -1.984 396 HE1 TYR 53 HE1 TYR 53 -11.668 -4.335 -1.622 397 HE2 TYR 53 HE2 TYR 53 -10.757 -8.035 -3.623 398 HH TYR 53 HH TYR 53 -12.630 -6.764 -4.086 399 H ALA 54 HN ALA 54 -7.616 -7.430 3.767 400 HA ALA 54 HA ALA 54 -5.043 -8.419 3.442 401 1HB ALA 54 2HB ALA 54 -5.858 -7.224 5.455 402 2HB ALA 54 1HB ALA 54 -6.829 -8.642 5.905 403 3HB ALA 54 3HB ALA 54 -5.056 -8.743 5.887 404 H GLY 55 HN GLY 55 -4.056 -10.429 3.388 405 1HA GLY 55 1HA GLY 55 -4.170 -12.761 4.259 406 2HA GLY 55 2HA GLY 55 -5.801 -12.866 3.571 407 H LYS 56 HN LYS 56 -5.889 -12.054 1.158 408 HA LYS 56 HA LYS 56 -4.000 -13.770 -0.299 409 1HB LYS 56 1HB LYS 56 -6.355 -13.785 -0.848 410 2HB LYS 56 2HB LYS 56 -6.332 -12.057 -1.260 411 1HG LYS 56 1HG LYS 56 -4.768 -12.523 -3.131 412 2HG LYS 56 2HG LYS 56 -4.677 -14.226 -2.641 413 1HD LYS 56 2HD LYS 56 -7.124 -14.455 -3.060 414 2HD LYS 56 1HD LYS 56 -7.183 -12.768 -3.608 415 1HE LYS 56 2HE LYS 56 -5.573 -13.296 -5.429 416 2HE LYS 56 1HE LYS 56 -5.467 -14.972 -4.863 417 1HZ LYS 56 2HZ LYS 56 -7.806 -15.197 -5.315 418 2HZ LYS 56 3HZ LYS 56 -7.884 -13.643 -5.864 419 3HZ LYS 56 1HZ LYS 56 -6.972 -14.764 -6.667 420 H VAL 57 HN VAL 57 -4.870 -10.296 -0.303 421 HA VAL 57 HA VAL 57 -3.019 -9.588 -2.412 422 HB VAL 57 HB VAL 57 -3.876 -7.366 -2.003 423 1HG1 VAL 57 3HG23 VAL 57 -5.440 -9.153 -2.956 424 2HG1 VAL 57 1HG21 VAL 57 -6.208 -9.218 -1.371 425 3HG1 VAL 57 2HG22 VAL 57 -6.202 -7.707 -2.303 426 1HG2 VAL 57 2HG12 VAL 57 -4.696 -8.476 0.724 427 2HG2 VAL 57 1HG11 VAL 57 -3.623 -7.134 0.402 428 3HG2 VAL 57 3HG13 VAL 57 -5.344 -6.967 0.080 429 H ILE 58 HN ILE 58 -1.549 -7.654 -2.160 430 HA ILE 58 HA ILE 58 -0.111 -7.607 0.468 431 HB ILE 58 HB ILE 58 1.099 -7.689 -2.324 432 1HG1 ILE 58 1HG11 ILE 58 0.459 -9.913 -1.528 433 2HG1 ILE 58 2HG12 ILE 58 2.188 -9.707 -1.745 434 1HG2 ILE 58 1HG21 ILE 58 2.419 -7.219 0.386 435 2HG2 ILE 58 2HG22 ILE 58 3.298 -7.616 -1.103 436 3HG2 ILE 58 3HG23 ILE 58 2.379 -6.113 -0.995 437 1HD1 ILE 58 3HD13 ILE 58 0.795 -9.614 0.965 438 2HD1 ILE 58 2HD12 ILE 58 1.647 -10.999 0.270 439 3HD1 ILE 58 1HD11 ILE 58 2.544 -9.527 0.667 440 H PHE 59 HN PHE 59 -1.046 -5.701 1.173 441 HA PHE 59 HA PHE 59 -1.165 -3.438 -0.754 442 1HB PHE 59 1HB PHE 59 -2.610 -4.037 1.794 443 2HB PHE 59 2HB PHE 59 -2.309 -2.367 1.347 444 HD1 PHE 59 HD2 PHE 59 -3.290 -5.295 -0.862 445 HD2 PHE 59 HD1 PHE 59 -4.258 -1.366 0.576 446 HE1 PHE 59 HE2 PHE 59 -5.586 -5.502 -1.800 447 HE2 PHE 59 HE1 PHE 59 -6.462 -1.520 -0.476 448 HZ PHE 59 HZ PHE 59 -7.279 -3.741 -1.320 449 H LEU 60 HN LEU 60 0.075 -1.698 -0.551 450 HA LEU 60 HA LEU 60 2.001 -1.540 1.733 451 1HB LEU 60 1HB LEU 60 2.407 -2.287 -1.067 452 2HB LEU 60 2HB LEU 60 3.260 -0.785 -0.751 453 HG LEU 60 HG LEU 60 3.493 -3.097 1.186 454 1HD1 LEU 60 1HD11 LEU 60 5.101 -2.810 -1.380 455 2HD1 LEU 60 2HD12 LEU 60 5.483 -3.906 -0.035 456 3HD1 LEU 60 3HD13 LEU 60 3.988 -4.128 -0.954 457 1HD2 LEU 60 3HD23 LEU 60 4.416 -0.811 1.730 458 2HD2 LEU 60 2HD22 LEU 60 5.728 -2.000 1.538 459 3HD2 LEU 60 1HD21 LEU 60 5.364 -0.854 0.234 460 H LYS 61 HN LYS 61 2.080 0.443 2.645 461 HA LYS 61 HA LYS 61 1.124 2.808 1.050 462 1HB LYS 61 1HB LYS 61 1.436 2.248 4.000 463 2HB LYS 61 2HB LYS 61 1.213 3.886 3.361 464 1HG LYS 61 2HG LYS 61 -0.908 3.404 2.464 465 2HG LYS 61 1HG LYS 61 -0.686 1.653 2.600 466 1HD LYS 61 2HD LYS 61 -0.662 3.361 5.095 467 2HD LYS 61 1HD LYS 61 -2.209 2.905 4.364 468 1HE LYS 61 1HE LYS 61 -0.071 0.849 5.080 469 2HE LYS 61 2HE LYS 61 -1.339 1.360 6.192 470 1HZ LYS 61 3HZ LYS 61 -2.965 0.609 4.613 471 2HZ LYS 61 1HZ LYS 61 -1.787 0.130 3.563 472 3HZ LYS 61 2HZ LYS 61 -1.928 -0.601 5.033 473 H VAL 62 HN VAL 62 2.718 4.009 0.076 474 HA VAL 62 HA VAL 62 5.440 3.904 1.284 475 HB VAL 62 HB VAL 62 4.664 3.785 -1.648 476 1HG1 VAL 62 1HG11 VAL 62 7.389 4.156 -0.312 477 2HG1 VAL 62 2HG12 VAL 62 7.183 3.625 -1.979 478 3HG1 VAL 62 3HG13 VAL 62 6.617 5.226 -1.491 479 1HG2 VAL 62 3HG23 VAL 62 6.170 1.810 0.129 480 2HG2 VAL 62 2HG22 VAL 62 4.529 1.608 -0.484 481 3HG2 VAL 62 1HG21 VAL 62 5.895 1.649 -1.608 482 H ASP 63 HN ASP 63 6.527 5.708 1.574 483 HA ASP 63 HA ASP 63 5.208 8.291 0.911 484 1HB ASP 63 1HB ASP 63 7.119 7.388 3.084 485 2HB ASP 63 2HB ASP 63 6.976 9.089 2.640 486 H VAL 64 HN VAL 64 5.794 8.535 -1.124 487 HA VAL 64 HA VAL 64 8.096 7.957 -2.567 488 HB VAL 64 HB VAL 64 6.052 10.216 -2.718 489 1HG1 VAL 64 2HG22 VAL 64 8.098 9.472 -4.820 490 2HG1 VAL 64 3HG23 VAL 64 6.668 10.492 -5.089 491 3HG1 VAL 64 1HG21 VAL 64 7.928 11.031 -3.982 492 1HG2 VAL 64 1HG11 VAL 64 5.178 7.870 -2.975 493 2HG2 VAL 64 2HG12 VAL 64 4.998 8.845 -4.433 494 3HG2 VAL 64 3HG13 VAL 64 6.308 7.641 -4.308 495 H ASP 65 HN ASP 65 7.423 10.758 -0.456 496 HA ASP 65 HA ASP 65 9.753 12.294 -1.185 497 1HB ASP 65 2HB ASP 65 9.231 13.554 0.874 498 2HB ASP 65 1HB ASP 65 7.879 13.417 -0.250 499 H ALA 66 HN ALA 66 9.291 9.462 0.821 500 HA ALA 66 HA ALA 66 11.954 9.837 2.114 501 1HB ALA 66 2HB ALA 66 9.727 7.822 2.666 502 2HB ALA 66 1HB ALA 66 11.284 7.937 3.506 503 3HB ALA 66 3HB ALA 66 10.113 9.264 3.620 504 H VAL 67 HN VAL 67 10.115 7.062 0.670 505 HA VAL 67 HA VAL 67 12.717 5.935 -0.284 506 HB VAL 67 HB VAL 67 9.959 4.689 -0.163 507 1HG1 VAL 67 3HG23 VAL 67 12.735 3.530 -0.747 508 2HG1 VAL 67 1HG21 VAL 67 11.262 2.570 -0.484 509 3HG1 VAL 67 2HG22 VAL 67 11.395 3.611 -1.894 510 1HG2 VAL 67 1HG11 VAL 67 12.485 4.335 1.554 511 2HG2 VAL 67 2HG12 VAL 67 10.985 5.108 2.106 512 3HG2 VAL 67 3HG13 VAL 67 11.002 3.397 1.694 513 H ALA 68 HN ALA 68 12.655 8.047 -1.518 514 HA ALA 68 HA ALA 68 11.201 8.300 -3.940 515 1HB ALA 68 2HB ALA 68 12.572 10.101 -2.961 516 2HB ALA 68 1HB ALA 68 14.054 9.171 -3.287 517 3HB ALA 68 3HB ALA 68 13.063 9.769 -4.635 518 H ALA 69 HN ALA 69 14.137 6.518 -3.122 519 HA ALA 69 HA ALA 69 15.197 5.720 -5.523 520 1HB ALA 69 2HB ALA 69 16.141 5.167 -3.313 521 2HB ALA 69 3HB ALA 69 14.814 4.019 -3.017 522 3HB ALA 69 1HB ALA 69 15.985 3.713 -4.318 523 H VAL 70 HN VAL 70 12.322 4.271 -3.917 524 HA VAL 70 HA VAL 70 12.042 2.223 -6.017 525 HB VAL 70 HB VAL 70 10.251 3.113 -3.715 526 1HG1 VAL 70 3HG13 VAL 70 9.892 0.781 -5.670 527 2HG1 VAL 70 1HG11 VAL 70 8.893 1.103 -4.236 528 3HG1 VAL 70 2HG12 VAL 70 8.861 2.216 -5.609 529 1HG2 VAL 70 2HG22 VAL 70 12.333 1.825 -3.106 530 2HG2 VAL 70 1HG21 VAL 70 10.836 0.934 -2.761 531 3HG2 VAL 70 3HG23 VAL 70 11.804 0.526 -4.192 532 H ALA 71 HN ALA 71 10.233 5.103 -4.919 533 HA ALA 71 HA ALA 71 8.223 5.243 -6.762 534 1HB ALA 71 3HB ALA 71 8.527 6.769 -4.843 535 2HB ALA 71 2HB ALA 71 9.819 7.616 -5.720 536 3HB ALA 71 1HB ALA 71 8.163 7.643 -6.348 537 H GLU 72 HN GLU 72 11.469 6.744 -7.275 538 HA GLU 72 HA GLU 72 10.875 7.865 -9.802 539 1HB GLU 72 2HB GLU 72 13.274 8.084 -10.084 540 2HB GLU 72 1HB GLU 72 12.809 8.472 -8.423 541 1HG GLU 72 2HG GLU 72 13.507 6.090 -7.797 542 2HG GLU 72 1HG GLU 72 14.182 5.936 -9.421 543 H ALA 73 HN ALA 73 11.792 4.522 -8.985 544 HA ALA 73 HA ALA 73 12.248 3.803 -11.814 545 1HB ALA 73 1HB ALA 73 13.598 2.766 -10.026 546 2HB ALA 73 2HB ALA 73 12.126 2.105 -9.283 547 3HB ALA 73 3HB ALA 73 12.627 1.562 -10.897 548 H ALA 74 HN ALA 74 9.846 3.360 -9.230 549 HA ALA 74 HA ALA 74 8.089 1.587 -10.545 550 1HB ALA 74 2HB ALA 74 8.085 2.056 -8.121 551 2HB ALA 74 1HB ALA 74 7.507 3.705 -8.432 552 3HB ALA 74 3HB ALA 74 6.479 2.315 -8.816 553 H GLY 75 HN GLY 75 8.084 5.146 -10.448 554 1HA GLY 75 1HA GLY 75 7.438 6.497 -12.330 555 2HA GLY 75 2HA GLY 75 6.405 5.196 -12.930 556 H ILE 76 HN ILE 76 6.759 7.652 -10.419 557 HA ILE 76 HA ILE 76 3.902 7.471 -9.608 558 HB ILE 76 HB ILE 76 6.433 8.642 -8.438 559 1HG1 ILE 76 2HG12 ILE 76 5.736 7.442 -6.482 560 2HG1 ILE 76 1HG11 ILE 76 4.123 7.136 -7.151 561 1HG2 ILE 76 3HG23 ILE 76 3.607 9.476 -7.636 562 2HG2 ILE 76 1HG21 ILE 76 5.070 9.751 -6.680 563 3HG2 ILE 76 2HG22 ILE 76 4.904 10.538 -8.244 564 1HD1 ILE 76 1HD11 ILE 76 6.634 6.008 -8.403 565 2HD1 ILE 76 2HD12 ILE 76 5.759 5.168 -7.125 566 3HD1 ILE 76 3HD13 ILE 76 4.950 5.498 -8.658 567 H THR 77 HN THR 77 2.558 9.355 -9.691 568 HA THR 77 HA THR 77 3.474 11.476 -11.609 569 HB THR 77 HB THR 77 1.211 11.532 -12.486 570 HG1 THR 77 HG1 THR 77 0.752 9.448 -10.592 571 1HG2 THR 77 1HG21 THR 77 2.865 9.981 -13.543 572 2HG2 THR 77 2HG22 THR 77 2.242 8.653 -12.542 573 3HG2 THR 77 3HG23 THR 77 1.185 9.439 -13.725 574 H ALA 78 HN ALA 78 0.351 11.680 -10.254 575 HA ALA 78 HA ALA 78 1.215 13.849 -8.389 576 1HB ALA 78 1HB ALA 78 -1.543 13.020 -9.399 577 2HB ALA 78 2HB ALA 78 -1.195 14.375 -8.304 578 3HB ALA 78 3HB ALA 78 -0.592 14.409 -9.974 579 H MET 79 HN MET 79 1.176 13.395 -6.176 580 HA MET 79 HA MET 79 0.649 10.679 -5.339 581 1HB MET 79 2HB MET 79 1.320 13.225 -3.814 582 2HB MET 79 1HB MET 79 1.081 11.655 -3.049 583 1HG MET 79 1HG MET 79 3.411 11.831 -3.319 584 2HG MET 79 2HG MET 79 2.881 10.711 -4.568 585 1HE MET 79 2HE MET 79 4.626 13.990 -3.645 586 2HE MET 79 1HE MET 79 4.651 14.914 -5.163 587 3HE MET 79 3HE MET 79 3.123 14.708 -4.281 588 HA PRO 80 HA PRO 80 -0.418 9.307 -3.965 589 1HB PRO 80 2HB PRO 80 -3.145 8.180 -4.331 590 2HB PRO 80 1HB PRO 80 -1.981 7.885 -3.024 591 1HG PRO 80 1HG PRO 80 -4.202 9.380 -2.669 592 2HG PRO 80 2HG PRO 80 -2.660 9.857 -1.899 593 1HD PRO 80 1HD PRO 80 -3.858 10.914 -4.489 594 2HD PRO 80 2HD PRO 80 -3.179 11.842 -3.124 595 H THR 81 HN THR 81 0.362 7.936 -5.533 596 HA THR 81 HA THR 81 -1.212 7.512 -8.050 597 HB THR 81 HB THR 81 1.766 7.457 -7.646 598 HG1 THR 81 HG1 THR 81 0.403 9.494 -8.196 599 1HG2 THR 81 2HG22 THR 81 0.027 6.678 -10.031 600 2HG2 THR 81 3HG23 THR 81 1.776 6.922 -10.144 601 3HG2 THR 81 1HG21 THR 81 1.129 5.635 -9.114 602 H PHE 82 HN PHE 82 -2.127 5.574 -7.919 603 HA PHE 82 HA PHE 82 -1.176 3.567 -5.940 604 1HB PHE 82 2HB PHE 82 -3.785 4.081 -7.378 605 2HB PHE 82 1HB PHE 82 -3.463 2.548 -6.599 606 HD1 PHE 82 HD2 PHE 82 -3.000 2.463 -4.107 607 HD2 PHE 82 HD1 PHE 82 -4.344 6.085 -6.041 608 HE1 PHE 82 HE2 PHE 82 -3.876 3.333 -1.947 609 HE2 PHE 82 HE1 PHE 82 -5.324 6.849 -3.902 610 HZ PHE 82 HZ PHE 82 -5.081 5.468 -1.857 611 H HIS 83 HN HIS 83 -0.208 1.717 -6.712 612 HA HIS 83 HA HIS 83 -0.502 1.060 -9.638 613 1HB HIS 83 2HB HIS 83 1.834 0.674 -7.833 614 2HB HIS 83 1HB HIS 83 1.714 -0.003 -9.460 615 HD2 HIS 83 HD2 HIS 83 0.697 3.426 -10.230 616 HE1 HIS 83 HE1 HIS 83 4.914 3.541 -10.059 617 HE2 HIS 83 HE2 HIS 83 2.896 4.773 -10.896 618 H VAL 84 HN VAL 84 -0.705 -1.138 -10.092 619 HA VAL 84 HA VAL 84 -0.966 -3.021 -7.804 620 HB VAL 84 HB VAL 84 -2.617 -3.184 -10.339 621 1HG1 VAL 84 3HG23 VAL 84 -2.808 -4.434 -7.577 622 2HG1 VAL 84 1HG21 VAL 84 -3.984 -4.675 -8.883 623 3HG1 VAL 84 2HG22 VAL 84 -2.321 -5.256 -9.071 624 1HG2 VAL 84 2HG12 VAL 84 -3.415 -1.892 -7.691 625 2HG2 VAL 84 1HG11 VAL 84 -3.328 -1.085 -9.273 626 3HG2 VAL 84 3HG13 VAL 84 -4.544 -2.336 -8.991 627 H TYR 85 HN TYR 85 0.734 -4.435 -8.027 628 HA TYR 85 HA TYR 85 1.600 -5.230 -10.793 629 1HB TYR 85 2HB TYR 85 3.236 -5.539 -8.254 630 2HB TYR 85 1HB TYR 85 3.700 -5.869 -9.881 631 HD1 TYR 85 HD1 TYR 85 2.457 -2.978 -7.744 632 HD2 TYR 85 HD2 TYR 85 5.343 -4.354 -10.627 633 HE1 TYR 85 HE1 TYR 85 3.514 -0.751 -7.782 634 HE2 TYR 85 HE2 TYR 85 6.373 -2.114 -10.665 635 HH TYR 85 HH TYR 85 4.777 0.695 -9.253 636 H LYS 86 HN LYS 86 1.464 -7.486 -11.263 637 HA LYS 86 HA LYS 86 -0.107 -9.034 -9.204 638 1HB LYS 86 1HB LYS 86 0.296 -9.431 -12.179 639 2HB LYS 86 2HB LYS 86 -0.391 -10.665 -11.101 640 1HG LYS 86 1HG LYS 86 -2.065 -8.986 -10.290 641 2HG LYS 86 2HG LYS 86 -1.579 -7.896 -11.579 642 1HD LYS 86 2HD LYS 86 -2.452 -10.772 -12.154 643 2HD LYS 86 1HD LYS 86 -3.639 -9.512 -11.828 644 1HE LYS 86 1HE LYS 86 -3.336 -9.848 -14.229 645 2HE LYS 86 2HE LYS 86 -2.962 -8.201 -13.718 646 1HZ LYS 86 2HZ LYS 86 -0.980 -10.313 -14.237 647 2HZ LYS 86 1HZ LYS 86 -1.365 -9.092 -15.275 648 3HZ LYS 86 3HZ LYS 86 -0.647 -8.750 -13.836 649 H ASP 87 HN ASP 87 1.859 -10.739 -11.504 650 HA ASP 87 HA ASP 87 3.001 -12.479 -9.607 651 1HB ASP 87 2HB ASP 87 4.417 -13.195 -11.418 652 2HB ASP 87 1HB ASP 87 2.821 -12.831 -12.100 653 H GLY 88 HN GLY 88 4.159 -9.661 -11.136 654 1HA GLY 88 1HA GLY 88 5.783 -8.570 -9.030 655 2HA GLY 88 2HA GLY 88 6.804 -9.411 -10.220 656 H VAL 89 HN VAL 89 4.828 -8.769 -12.507 657 HA VAL 89 HA VAL 89 5.964 -6.167 -13.081 658 HB VAL 89 HB VAL 89 5.329 -6.541 -15.251 659 1HG1 VAL 89 3HG13 VAL 89 7.049 -8.153 -14.414 660 2HG1 VAL 89 2HG12 VAL 89 5.779 -9.385 -14.276 661 3HG1 VAL 89 1HG11 VAL 89 6.170 -8.703 -15.854 662 1HG2 VAL 89 3HG23 VAL 89 3.226 -8.535 -14.360 663 2HG2 VAL 89 2HG22 VAL 89 2.990 -6.990 -15.196 664 3HG2 VAL 89 1HG21 VAL 89 3.762 -8.334 -16.038 665 H LYS 90 HN LYS 90 4.994 -4.287 -12.931 666 HA LYS 90 HA LYS 90 2.589 -3.567 -11.846 667 1HB LYS 90 2HB LYS 90 4.634 -2.164 -12.625 668 2HB LYS 90 1HB LYS 90 3.810 -2.061 -14.178 669 1HG LYS 90 1HG LYS 90 1.867 -0.971 -13.065 670 2HG LYS 90 2HG LYS 90 2.597 -1.256 -11.487 671 1HD LYS 90 1HD LYS 90 2.947 1.062 -12.149 672 2HD LYS 90 2HD LYS 90 4.484 0.223 -11.989 673 1HE LYS 90 1HE LYS 90 4.352 1.746 -13.958 674 2HE LYS 90 2HE LYS 90 4.748 0.082 -14.398 675 1HZ LYS 90 3HZ LYS 90 2.042 1.239 -14.546 676 2HZ LYS 90 1HZ LYS 90 3.077 1.081 -15.823 677 3HZ LYS 90 2HZ LYS 90 2.504 -0.255 -15.052 678 H ALA 91 HN ALA 91 0.604 -4.220 -12.405 679 HA ALA 91 HA ALA 91 -0.023 -5.095 -15.163 680 1HB ALA 91 3HB ALA 91 -0.362 -6.644 -13.264 681 2HB ALA 91 1HB ALA 91 -1.455 -5.472 -12.495 682 3HB ALA 91 2HB ALA 91 -1.903 -6.206 -14.046 683 H ASP 92 HN ASP 92 -1.130 -2.885 -12.603 684 HA ASP 92 HA ASP 92 -2.793 -1.370 -14.516 685 1HB ASP 92 1HB ASP 92 -4.172 -3.289 -13.793 686 2HB ASP 92 2HB ASP 92 -3.877 -2.871 -12.096 687 H ASP 93 HN ASP 93 -3.698 0.617 -13.312 688 HA ASP 93 HA ASP 93 -2.147 1.462 -10.969 689 1HB ASP 93 1HB ASP 93 -1.798 2.876 -13.653 690 2HB ASP 93 2HB ASP 93 -1.132 3.405 -12.104 691 H LEU 94 HN LEU 94 -2.788 3.773 -10.417 692 HA LEU 94 HA LEU 94 -5.096 5.005 -11.667 693 1HB LEU 94 2HB LEU 94 -6.245 3.324 -10.434 694 2HB LEU 94 1HB LEU 94 -5.321 3.584 -8.967 695 HG LEU 94 HG LEU 94 -6.974 5.874 -10.063 696 1HD1 LEU 94 2HD22 LEU 94 -8.107 3.494 -8.559 697 2HD1 LEU 94 3HD23 LEU 94 -8.949 5.028 -8.857 698 3HD1 LEU 94 1HD21 LEU 94 -8.497 3.990 -10.221 699 1HD2 LEU 94 1HD11 LEU 94 -5.573 6.153 -7.955 700 2HD2 LEU 94 2HD12 LEU 94 -7.301 6.356 -7.664 701 3HD2 LEU 94 3HD13 LEU 94 -6.499 4.841 -7.215 702 H VAL 95 HN VAL 95 -5.473 7.168 -10.531 703 HA VAL 95 HA VAL 95 -3.178 8.075 -8.900 704 HB VAL 95 HB VAL 95 -3.168 10.178 -10.205 705 1HG1 VAL 95 2HG12 VAL 95 -1.505 8.427 -10.594 706 2HG1 VAL 95 3HG13 VAL 95 -2.532 7.692 -11.845 707 3HG1 VAL 95 1HG11 VAL 95 -1.871 9.321 -12.087 708 1HG2 VAL 95 3HG23 VAL 95 -5.411 10.057 -11.275 709 2HG2 VAL 95 1HG21 VAL 95 -4.120 10.273 -12.463 710 3HG2 VAL 95 2HG22 VAL 95 -4.867 8.681 -12.258 711 H GLY 96 HN GLY 96 -3.783 9.850 -7.559 712 1HA GLY 96 1HA GLY 96 -5.262 11.338 -6.479 713 2HA GLY 96 2HA GLY 96 -6.568 10.851 -7.578 714 H ALA 97 HN ALA 97 -7.846 10.765 -5.526 715 HA ALA 97 HA ALA 97 -7.216 8.640 -3.592 716 1HB ALA 97 2HB ALA 97 -9.554 10.597 -3.790 717 2HB ALA 97 3HB ALA 97 -9.255 9.457 -2.459 718 3HB ALA 97 1HB ALA 97 -8.114 10.769 -2.794 719 H SER 98 HN SER 98 -10.304 9.360 -5.149 720 HA SER 98 HA SER 98 -12.101 7.964 -5.568 721 1HB SER 98 1HB SER 98 -9.954 7.019 -7.510 722 2HB SER 98 2HB SER 98 -11.713 6.973 -7.769 723 HG SER 98 HG SER 98 -11.740 9.230 -7.702 724 H GLN 99 HN GLN 99 -11.415 6.830 -3.340 725 HA GLN 99 HA GLN 99 -10.417 4.276 -3.081 726 1HB GLN 99 1HB GLN 99 -12.808 5.637 -1.789 727 2HB GLN 99 2HB GLN 99 -12.250 4.049 -1.260 728 1HG GLN 99 2HG GLN 99 -10.227 6.299 -1.428 729 2HG GLN 99 1HG GLN 99 -11.369 6.281 -0.083 730 1HE2 GLN 99 1HE21 GLN 99 -10.039 3.418 1.544 731 2HE2 GLN 99 2HE22 GLN 99 -11.563 4.204 1.181 732 H ASP 100 HN ASP 100 -13.641 5.157 -4.316 733 HA ASP 100 HA ASP 100 -14.788 2.542 -4.398 734 1HB ASP 100 1HB ASP 100 -16.401 3.557 -5.920 735 2HB ASP 100 2HB ASP 100 -16.111 4.620 -4.540 736 H LYS 101 HN LYS 101 -13.138 4.512 -6.902 737 HA LYS 101 HA LYS 101 -13.234 2.482 -8.927 738 1HB LYS 101 2HB LYS 101 -12.924 4.945 -9.310 739 2HB LYS 101 1HB LYS 101 -11.278 4.798 -8.664 740 1HG LYS 101 1HG LYS 101 -10.733 3.165 -10.469 741 2HG LYS 101 2HG LYS 101 -12.395 3.293 -11.071 742 1HD LYS 101 2HD LYS 101 -12.071 5.669 -11.603 743 2HD LYS 101 1HD LYS 101 -10.474 5.660 -10.844 744 1HE LYS 101 2HE LYS 101 -10.253 5.550 -13.280 745 2HE LYS 101 1HE LYS 101 -9.636 4.065 -12.540 746 1HZ LYS 101 3HZ LYS 101 -12.289 4.385 -13.764 747 2HZ LYS 101 2HZ LYS 101 -10.994 3.636 -14.453 748 3HZ LYS 101 1HZ LYS 101 -11.691 2.997 -13.106 749 H LEU 102 HN LEU 102 -10.843 3.420 -6.467 750 HA LEU 102 HA LEU 102 -8.687 1.756 -7.130 751 1HB LEU 102 1HB LEU 102 -9.086 3.558 -5.243 752 2HB LEU 102 2HB LEU 102 -9.585 2.178 -4.264 753 HG LEU 102 HG LEU 102 -6.869 2.687 -5.536 754 1HD1 LEU 102 2HD12 LEU 102 -7.940 2.654 -2.673 755 2HD1 LEU 102 1HD11 LEU 102 -6.234 2.761 -3.107 756 3HD1 LEU 102 3HD13 LEU 102 -7.345 4.059 -3.585 757 1HD2 LEU 102 1HD21 LEU 102 -7.793 0.295 -3.882 758 2HD2 LEU 102 2HD22 LEU 102 -7.186 0.267 -5.558 759 3HD2 LEU 102 3HD23 LEU 102 -6.102 0.703 -4.238 760 H LYS 103 HN LYS 103 -11.497 1.035 -4.949 761 HA LYS 103 HA LYS 103 -10.854 -1.674 -4.515 762 1HB LYS 103 2HB LYS 103 -12.635 -0.105 -3.386 763 2HB LYS 103 1HB LYS 103 -13.710 -0.638 -4.676 764 1HG LYS 103 2HG LYS 103 -13.148 -3.039 -4.026 765 2HG LYS 103 1HG LYS 103 -12.242 -2.379 -2.648 766 1HD LYS 103 2HD LYS 103 -14.308 -1.239 -1.845 767 2HD LYS 103 1HD LYS 103 -15.200 -1.918 -3.214 768 1HE LYS 103 2HE LYS 103 -13.861 -3.480 -0.939 769 2HE LYS 103 1HE LYS 103 -15.597 -3.230 -1.160 770 1HZ LYS 103 1HZ LYS 103 -15.432 -4.467 -3.224 771 2HZ LYS 103 2HZ LYS 103 -13.835 -4.770 -2.946 772 3HZ LYS 103 3HZ LYS 103 -14.970 -5.366 -1.925 773 H ALA 104 HN ALA 104 -13.061 -0.165 -6.908 774 HA ALA 104 HA ALA 104 -13.975 -2.468 -8.202 775 1HB ALA 104 2HB ALA 104 -14.790 -0.152 -8.641 776 2HB ALA 104 3HB ALA 104 -13.297 0.186 -9.546 777 3HB ALA 104 1HB ALA 104 -14.426 -1.047 -10.129 778 H LEU 105 HN LEU 105 -10.943 -0.634 -8.895 779 HA LEU 105 HA LEU 105 -10.081 -2.381 -11.012 780 1HB LEU 105 1HB LEU 105 -8.493 -0.620 -9.093 781 2HB LEU 105 2HB LEU 105 -7.794 -1.496 -10.453 782 HG LEU 105 HG LEU 105 -9.862 0.728 -10.669 783 1HD1 LEU 105 1HD11 LEU 105 -7.607 1.437 -9.936 784 2HD1 LEU 105 2HD12 LEU 105 -6.883 0.611 -11.328 785 3HD1 LEU 105 3HD13 LEU 105 -7.955 2.002 -11.584 786 1HD2 LEU 105 3HD23 LEU 105 -8.435 -0.863 -12.838 787 2HD2 LEU 105 2HD22 LEU 105 -10.188 -0.778 -12.551 788 3HD2 LEU 105 1HD21 LEU 105 -9.314 0.652 -13.104 789 H VAL 106 HN VAL 106 -9.096 -2.230 -7.530 790 HA VAL 106 HA VAL 106 -7.379 -4.387 -7.515 791 HB VAL 106 HB VAL 106 -8.661 -2.809 -5.568 792 1HG1 VAL 106 1HG11 VAL 106 -9.076 -5.685 -4.725 793 2HG1 VAL 106 2HG12 VAL 106 -9.088 -4.269 -3.670 794 3HG1 VAL 106 3HG13 VAL 106 -10.326 -4.425 -4.899 795 1HG2 VAL 106 1HG21 VAL 106 -6.229 -3.474 -5.732 796 2HG2 VAL 106 2HG22 VAL 106 -6.860 -3.782 -4.101 797 3HG2 VAL 106 3HG23 VAL 106 -6.671 -5.125 -5.244 798 H ALA 107 HN ALA 107 -10.829 -4.516 -6.932 799 HA ALA 107 HA ALA 107 -11.283 -7.178 -6.510 800 1HB ALA 107 2HB ALA 107 -13.048 -5.448 -6.529 801 2HB ALA 107 3HB ALA 107 -12.987 -5.399 -8.308 802 3HB ALA 107 1HB ALA 107 -13.523 -6.872 -7.471 803 H LYS 108 HN LYS 108 -10.552 -5.774 -9.731 804 HA LYS 108 HA LYS 108 -11.288 -8.123 -11.209 805 1HB LYS 108 2HB LYS 108 -10.694 -6.902 -13.008 806 2HB LYS 108 1HB LYS 108 -10.759 -5.572 -11.842 807 1HG LYS 108 2HG LYS 108 -8.309 -5.858 -11.596 808 2HG LYS 108 1HG LYS 108 -8.305 -6.982 -12.963 809 1HD LYS 108 1HD LYS 108 -9.074 -4.026 -12.918 810 2HD LYS 108 2HD LYS 108 -7.666 -4.753 -13.693 811 1HE LYS 108 1HE LYS 108 -9.191 -6.025 -15.233 812 2HE LYS 108 2HE LYS 108 -10.573 -5.158 -14.528 813 1HZ LYS 108 2HZ LYS 108 -9.580 -3.114 -15.234 814 2HZ LYS 108 3HZ LYS 108 -8.302 -3.913 -15.901 815 3HZ LYS 108 1HZ LYS 108 -9.816 -4.121 -16.516 816 H HIS 109 HN HIS 109 -8.355 -7.086 -9.610 817 HA HIS 109 HA HIS 109 -6.682 -9.269 -10.724 818 1HB HIS 109 1HB HIS 109 -6.046 -7.254 -8.538 819 2HB HIS 109 2HB HIS 109 -4.911 -8.332 -9.361 820 HD2 HIS 109 HD2 HIS 109 -6.930 -5.058 -9.987 821 HE1 HIS 109 HE1 HIS 109 -4.315 -5.603 -13.241 822 HE2 HIS 109 HE2 HIS 109 -5.924 -3.944 -12.121 823 H ALA 110 HN ALA 110 -7.971 -8.184 -7.632 824 HA ALA 110 HA ALA 110 -6.998 -10.156 -5.881 825 1HB ALA 110 1HB ALA 110 -7.797 -7.932 -5.184 826 2HB ALA 110 2HB ALA 110 -9.448 -8.380 -5.654 827 3HB ALA 110 3HB ALA 110 -8.637 -9.238 -4.329 828 H ALA 111 HN ALA 111 -10.073 -9.849 -7.698 829 HA ALA 111 HA ALA 111 -11.795 -11.209 -8.134 830 1HB ALA 111 3HB ALA 111 -10.042 -12.847 -8.838 831 2HB ALA 111 2HB ALA 111 -10.056 -13.545 -7.203 832 3HB ALA 111 1HB ALA 111 -11.512 -13.608 -8.203 833 H ALA 112 HN ALA 112 -12.016 -9.722 -5.894 834 HA ALA 112 HA ALA 112 -13.876 -11.077 -4.277 835 1HB ALA 112 2HB ALA 112 -11.164 -10.422 -3.020 836 2HB ALA 112 3HB ALA 112 -12.643 -10.812 -2.119 837 3HB ALA 112 1HB ALA 112 -11.886 -12.040 -3.149 No H/Q in entry = 837
Contact the webmaster for help, if required. Sunday, July 7, 2024 8:39:53 PM GMT (wattos1)