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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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11591 |
1rqt ![]() ![]() |
cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 H SER 1 5.298 -1.548 -14.782 2 HA SER 1 HA SER 1 3.090 -1.606 -14.719 3 1HB SER 1 1HB SER 1 3.952 -4.303 -13.616 4 2HB SER 1 2HB SER 1 2.272 -3.970 -13.987 5 HG SER 1 HG SER 1 3.136 -4.876 -15.849 6 H ILE 2 H ILE 2 3.054 0.152 -12.980 7 HA ILE 2 HA ILE 2 2.121 -0.922 -10.417 8 HB ILE 2 HB ILE 2 2.998 1.894 -11.045 9 1HG1 ILE 2 1HG1 ILE 2 4.642 -0.437 -10.021 10 2HG1 ILE 2 2HG1 ILE 2 4.869 0.434 -11.524 11 1HG2 ILE 2 1HG2 ILE 2 2.519 2.386 -8.928 12 2HG2 ILE 2 2HG2 ILE 2 1.630 0.846 -8.866 13 3HG2 ILE 2 3HG2 ILE 2 3.323 0.918 -8.321 14 1HD1 ILE 2 1HD1 ILE 2 6.371 1.662 -10.307 15 2HD1 ILE 2 2HD1 ILE 2 4.922 2.520 -9.730 16 3HD1 ILE 2 3HD1 ILE 2 5.627 1.209 -8.755 17 H THR 3 H THR 3 0.191 -1.452 -12.052 18 HA THR 3 HA THR 3 -1.498 0.848 -12.528 19 HB THR 3 HB THR 3 -2.986 -0.977 -13.495 20 HG1 THR 3 1HG THR 3 -2.154 -3.112 -13.274 21 1HG2 THR 3 1HG2 THR 3 -0.633 -0.002 -14.591 22 2HG2 THR 3 2HG2 THR 3 -0.313 -1.753 -14.564 23 3HG2 THR 3 3HG2 THR 3 -1.734 -1.122 -15.430 24 H LYS 4 H LYS 4 -3.749 0.951 -11.756 25 HA LYS 4 HA LYS 4 -3.836 0.898 -8.994 26 1HB LYS 4 1HB LYS 4 -5.818 1.260 -11.199 27 2HB LYS 4 2HB LYS 4 -6.444 0.958 -9.591 28 1HG LYS 4 1HG LYS 4 -6.182 3.204 -9.274 29 2HG LYS 4 2HG LYS 4 -4.488 2.826 -9.037 30 1HD LYS 4 1HD LYS 4 -4.107 4.268 -10.764 31 2HD LYS 4 2HD LYS 4 -4.623 2.952 -11.799 32 1HE LYS 4 1HE LYS 4 -7.033 4.156 -10.902 33 2HE LYS 4 2HE LYS 4 -5.962 5.499 -11.245 34 1HZ LYS 4 1HZ LYS 4 -7.350 4.142 -13.078 35 2HZ LYS 4 2HZ LYS 4 -6.040 5.061 -13.404 36 3HZ LYS 4 3HZ LYS 4 -5.880 3.446 -13.221 37 H ASP 5 H ASP 5 -4.969 -1.506 -11.431 38 HA ASP 5 HA ASP 5 -6.321 -3.119 -9.671 39 1HB ASP 5 1HB ASP 5 -4.986 -3.466 -12.341 40 2HB ASP 5 2HB ASP 5 -5.388 -4.936 -11.476 41 H GLN 6 H GLN 6 -2.861 -3.044 -10.739 42 HA GLN 6 HA GLN 6 -2.027 -5.387 -9.631 43 1HB GLN 6 1HB GLN 6 -0.761 -2.822 -10.447 44 2HB GLN 6 2HB GLN 6 0.175 -3.759 -9.300 45 1HG GLN 6 1HG GLN 6 -1.028 -5.280 -11.592 46 2HG GLN 6 2HG GLN 6 0.273 -4.176 -11.991 47 1HE2 GLN 6 1HE2 GLN 6 -0.677 -6.989 -10.149 48 2HE2 GLN 6 2HE2 GLN 6 0.903 -7.604 -9.796 49 H ILE 7 H ILE 7 -2.869 -2.323 -8.079 50 HA ILE 7 HA ILE 7 -1.483 -2.928 -5.646 51 HB ILE 7 HB ILE 7 -3.529 -0.815 -6.335 52 1HG1 ILE 7 1HG1 ILE 7 -1.481 -0.660 -7.681 53 2HG1 ILE 7 2HG1 ILE 7 -1.643 0.688 -6.574 54 1HG2 ILE 7 1HG2 ILE 7 -1.971 -1.398 -3.841 55 2HG2 ILE 7 2HG2 ILE 7 -2.331 0.288 -4.284 56 3HG2 ILE 7 3HG2 ILE 7 -3.659 -0.871 -4.039 57 1HD1 ILE 7 1HD1 ILE 7 0.177 -1.735 -6.291 58 2HD1 ILE 7 2HD1 ILE 7 0.644 -0.022 -6.416 59 3HD1 ILE 7 3HD1 ILE 7 -0.149 -0.624 -4.940 60 H ILE 8 H ILE 8 -4.749 -3.354 -7.020 61 HA ILE 8 HA ILE 8 -6.106 -3.886 -4.661 62 HB ILE 8 HB ILE 8 -6.530 -4.954 -7.454 63 1HG1 ILE 8 1HG1 ILE 8 -7.650 -2.526 -6.025 64 2HG1 ILE 8 2HG1 ILE 8 -6.530 -2.521 -7.372 65 1HG2 ILE 8 1HG2 ILE 8 -8.604 -4.776 -5.266 66 2HG2 ILE 8 2HG2 ILE 8 -8.709 -5.602 -6.839 67 3HG2 ILE 8 3HG2 ILE 8 -7.645 -6.245 -5.565 68 1HD1 ILE 8 1HD1 ILE 8 -9.466 -3.189 -7.342 69 2HD1 ILE 8 2HD1 ILE 8 -8.537 -2.222 -8.512 70 3HD1 ILE 8 3HD1 ILE 8 -8.431 -3.998 -8.543 71 H GLU 9 H GLU 9 -4.222 -6.060 -6.851 72 HA GLU 9 HA GLU 9 -4.866 -8.369 -5.433 73 1HB GLU 9 1HB GLU 9 -2.547 -7.705 -7.294 74 2HB GLU 9 2HB GLU 9 -2.838 -9.316 -6.668 75 1HG GLU 9 1HG GLU 9 -5.270 -8.079 -7.816 76 2HG GLU 9 2HG GLU 9 -3.972 -8.233 -8.984 77 H ALA 10 H ALA 10 -2.795 -5.704 -4.692 78 HA ALA 10 HA ALA 10 -0.878 -7.174 -3.164 79 1HB ALA 10 1HB ALA 10 -1.231 -4.319 -2.544 80 2HB ALA 10 2HB ALA 10 0.200 -5.187 -3.150 81 3HB ALA 10 3HB ALA 10 -1.057 -4.640 -4.286 82 H VAL 11 H VAL 11 -3.914 -5.336 -2.538 83 HA VAL 11 HA VAL 11 -3.713 -5.554 0.276 84 HB VAL 11 HB VAL 11 -5.899 -4.877 -1.679 85 1HG1 VAL 11 1HG1 VAL 11 -6.934 -4.069 0.708 86 2HG1 VAL 11 2HG1 VAL 11 -7.377 -5.580 -0.121 87 3HG1 VAL 11 3HG1 VAL 11 -6.159 -5.601 1.178 88 1HG2 VAL 11 1HG2 VAL 11 -4.315 -3.125 -1.453 89 2HG2 VAL 11 2HG2 VAL 11 -5.706 -2.657 -0.446 90 3HG2 VAL 11 3HG2 VAL 11 -4.238 -3.317 0.314 91 H ALA 12 H ALA 12 -4.824 -7.660 -2.339 92 HA ALA 12 HA ALA 12 -6.245 -9.378 -0.487 93 1HB ALA 12 1HB ALA 12 -7.352 -10.017 -2.342 94 2HB ALA 12 2HB ALA 12 -6.474 -8.732 -3.205 95 3HB ALA 12 3HB ALA 12 -5.837 -10.394 -3.196 96 H ALA 13 H ALA 13 -3.124 -8.760 -0.711 97 HA ALA 13 HA ALA 13 -2.260 -11.544 -1.009 98 1HB ALA 13 1HB ALA 13 -0.572 -9.020 -0.839 99 2HB ALA 13 2HB ALA 13 -0.059 -10.639 -1.374 100 3HB ALA 13 3HB ALA 13 -1.190 -9.690 -2.368 101 H MET 14 H MET 14 -2.661 -8.836 1.250 102 HA MET 14 HA MET 14 -1.280 -10.398 3.277 103 1HB MET 14 1HB MET 14 -2.221 -7.476 3.204 104 2HB MET 14 2HB MET 14 -1.404 -8.201 4.575 105 1HG MET 14 1HG MET 14 0.577 -7.654 3.607 106 2HG MET 14 2HG MET 14 0.242 -8.835 2.356 107 1HE MET 14 1HE MET 14 0.531 -5.303 3.438 108 2HE MET 14 2HE MET 14 -0.181 -4.301 2.151 109 3HE MET 14 3HE MET 14 -1.238 -5.167 3.292 110 H SER 15 H SER 15 -2.333 -10.019 5.608 111 HA SER 15 HA SER 15 -4.923 -11.138 5.375 112 1HB SER 15 1HB SER 15 -4.632 -10.685 8.054 113 2HB SER 15 2HB SER 15 -3.978 -12.082 7.225 114 HG SER 15 HG SER 15 -2.564 -9.601 7.724 115 H VAL 16 H VAL 16 -6.812 -10.256 6.748 116 HA VAL 16 HA VAL 16 -7.478 -7.730 5.833 117 HB VAL 16 HB VAL 16 -8.565 -9.398 8.106 118 1HG1 VAL 16 1HG1 VAL 16 -10.531 -8.033 8.113 119 2HG1 VAL 16 2HG1 VAL 16 -9.132 -6.946 8.282 120 3HG1 VAL 16 3HG1 VAL 16 -9.960 -7.094 6.713 121 1HG2 VAL 16 1HG2 VAL 16 -8.551 -10.177 5.595 122 2HG2 VAL 16 2HG2 VAL 16 -10.014 -10.374 6.590 123 3HG2 VAL 16 3HG2 VAL 16 -9.896 -9.021 5.439 124 H MET 17 H MET 17 -6.169 -8.821 9.019 125 HA MET 17 HA MET 17 -6.433 -6.426 10.320 126 1HB MET 17 1HB MET 17 -4.702 -8.881 10.541 127 2HB MET 17 2HB MET 17 -4.140 -7.479 11.429 128 1HG MET 17 1HG MET 17 -5.543 -8.337 13.056 129 2HG MET 17 2HG MET 17 -6.738 -7.392 12.190 130 1HE MET 17 1HE MET 17 -9.217 -10.105 12.346 131 2HE MET 17 2HE MET 17 -8.198 -9.693 13.746 132 3HE MET 17 3HE MET 17 -8.725 -8.417 12.623 133 H ASP 18 H ASP 18 -3.727 -7.660 8.265 134 HA ASP 18 HA ASP 18 -1.978 -5.603 8.802 135 1HB ASP 18 1HB ASP 18 -1.422 -7.740 7.613 136 2HB ASP 18 2HB ASP 18 -2.338 -7.199 6.221 137 H VAL 19 H VAL 19 -4.875 -5.836 6.788 138 HA VAL 19 HA VAL 19 -4.164 -3.599 5.118 139 HB VAL 19 HB VAL 19 -6.739 -5.162 5.395 140 1HG1 VAL 19 1HG1 VAL 19 -5.886 -3.587 2.970 141 2HG1 VAL 19 2HG1 VAL 19 -7.510 -4.138 3.445 142 3HG1 VAL 19 3HG1 VAL 19 -6.735 -2.796 4.320 143 1HG2 VAL 19 1HG2 VAL 19 -5.873 -6.792 4.128 144 2HG2 VAL 19 2HG2 VAL 19 -5.157 -5.630 2.986 145 3HG2 VAL 19 3HG2 VAL 19 -4.278 -6.079 4.468 146 H VAL 20 H VAL 20 -5.893 -4.262 8.130 147 HA VAL 20 HA VAL 20 -7.427 -1.896 8.156 148 HB VAL 20 HB VAL 20 -6.486 -3.851 10.245 149 1HG1 VAL 20 1HG1 VAL 20 -6.684 -1.599 11.278 150 2HG1 VAL 20 2HG1 VAL 20 -8.368 -1.514 10.708 151 3HG1 VAL 20 3HG1 VAL 20 -7.891 -2.754 11.891 152 1HG2 VAL 20 1HG2 VAL 20 -9.069 -3.332 8.775 153 2HG2 VAL 20 2HG2 VAL 20 -8.148 -4.847 8.932 154 3HG2 VAL 20 3HG2 VAL 20 -9.050 -4.205 10.326 155 H GLU 21 H GLU 21 -4.114 -2.769 9.243 156 HA GLU 21 HA GLU 21 -3.660 -0.346 10.556 157 1HB GLU 21 1HB GLU 21 -1.994 -2.639 9.576 158 2HB GLU 21 2HB GLU 21 -1.149 -1.140 9.909 159 1HG GLU 21 1HG GLU 21 -3.055 -2.467 11.891 160 2HG GLU 21 2HG GLU 21 -1.325 -2.747 11.886 161 H LEU 22 H LEU 22 -2.911 -1.532 7.217 162 HA LEU 22 HA LEU 22 -1.565 0.693 6.309 163 1HB LEU 22 1HB LEU 22 -1.825 -1.522 5.192 164 2HB LEU 22 2HB LEU 22 -3.456 -1.065 4.742 165 HG LEU 22 HG LEU 22 -1.970 1.061 3.793 166 1HD1 LEU 22 1HD1 LEU 22 -0.203 -0.226 2.393 167 2HD1 LEU 22 2HD1 LEU 22 0.176 0.233 4.071 168 3HD1 LEU 22 3HD1 LEU 22 -0.304 -1.439 3.692 169 1HD2 LEU 22 1HD2 LEU 22 -3.343 -1.299 2.670 170 2HD2 LEU 22 2HD2 LEU 22 -3.514 0.430 2.286 171 3HD2 LEU 22 3HD2 LEU 22 -2.173 -0.508 1.586 172 H ILE 23 H ILE 23 -5.115 -0.026 5.958 173 HA ILE 23 HA ILE 23 -5.730 2.411 4.797 174 HB ILE 23 HB ILE 23 -7.357 0.431 6.379 175 1HG1 ILE 23 1HG1 ILE 23 -7.322 1.011 3.406 176 2HG1 ILE 23 2HG1 ILE 23 -6.340 -0.227 4.163 177 1HG2 ILE 23 1HG2 ILE 23 -8.279 2.797 6.478 178 2HG2 ILE 23 2HG2 ILE 23 -8.511 2.674 4.717 179 3HG2 ILE 23 3HG2 ILE 23 -9.354 1.547 5.806 180 1HD1 ILE 23 1HD1 ILE 23 -8.500 -1.187 5.162 181 2HD1 ILE 23 2HD1 ILE 23 -9.381 -0.064 4.098 182 3HD1 ILE 23 3HD1 ILE 23 -8.339 -1.324 3.394 183 H SER 24 H SER 24 -5.409 1.431 8.229 184 HA SER 24 HA SER 24 -6.647 3.639 9.317 185 1HB SER 24 1HB SER 24 -4.620 1.629 10.269 186 2HB SER 24 2HB SER 24 -4.877 3.051 11.259 187 HG SER 24 HG SER 24 -7.185 2.529 11.277 188 H ALA 25 H ALA 25 -3.249 3.058 8.264 189 HA ALA 25 HA ALA 25 -2.130 5.366 9.340 190 1HB ALA 25 1HB ALA 25 -0.666 4.884 7.070 191 2HB ALA 25 2HB ALA 25 -0.464 4.007 8.605 192 3HB ALA 25 3HB ALA 25 -1.468 3.313 7.309 193 H MET 26 H MET 26 -3.414 4.730 5.997 194 HA MET 26 HA MET 26 -3.019 7.257 5.041 195 1HB MET 26 1HB MET 26 -5.157 5.141 4.468 196 2HB MET 26 2HB MET 26 -5.031 6.602 3.507 197 1HG MET 26 1HG MET 26 -2.630 6.016 2.985 198 2HG MET 26 2HG MET 26 -2.820 4.524 3.885 199 1HE MET 26 1HE MET 26 -3.054 2.719 0.596 200 2HE MET 26 2HE MET 26 -1.851 3.896 1.173 201 3HE MET 26 3HE MET 26 -2.541 2.704 2.300 202 H GLU 27 H GLU 27 -5.818 5.904 6.874 203 HA GLU 27 HA GLU 27 -7.584 7.922 6.552 204 1HB GLU 27 1HB GLU 27 -7.038 5.891 8.669 205 2HB GLU 27 2HB GLU 27 -8.041 7.238 9.169 206 1HG GLU 27 1HG GLU 27 -9.539 6.833 7.185 207 2HG GLU 27 2HG GLU 27 -8.553 5.452 6.743 208 H GLU 28 H GLU 28 -4.909 7.689 8.985 209 HA GLU 28 HA GLU 28 -5.608 10.185 10.122 210 1HB GLU 28 1HB GLU 28 -4.567 8.490 11.517 211 2HB GLU 28 2HB GLU 28 -3.190 8.361 10.441 212 1HG GLU 28 1HG GLU 28 -2.203 10.295 11.235 213 2HG GLU 28 2HG GLU 28 -3.735 11.112 11.473 214 H LYS 29 H LYS 29 -2.977 8.971 7.947 215 HA LYS 29 HA LYS 29 -1.496 11.279 7.801 216 1HB LYS 29 1HB LYS 29 -0.706 9.168 6.935 217 2HB LYS 29 2HB LYS 29 -1.985 9.114 5.738 218 1HG LYS 29 1HG LYS 29 -0.721 10.321 4.297 219 2HG LYS 29 2HG LYS 29 -0.646 11.646 5.442 220 1HD LYS 29 1HD LYS 29 1.228 10.266 6.633 221 2HD LYS 29 2HD LYS 29 1.275 9.302 5.170 222 1HE LYS 29 1HE LYS 29 2.697 10.861 4.320 223 2HE LYS 29 2HE LYS 29 1.314 11.929 4.188 224 1HZ LYS 29 1HZ LYS 29 2.957 11.695 6.611 225 2HZ LYS 29 2HZ LYS 29 3.170 12.845 5.472 226 3HZ LYS 29 3HZ LYS 29 1.782 12.793 6.331 227 H PHE 30 H PHE 30 -3.923 10.211 5.309 228 HA PHE 30 HA PHE 30 -3.994 12.833 4.214 229 1HB PHE 30 1HB PHE 30 -5.707 10.293 3.930 230 2HB PHE 30 2HB PHE 30 -5.908 11.691 2.893 231 HD1 PHE 30 1HD PHE 30 -3.894 8.762 3.607 232 HD2 PHE 30 2HD PHE 30 -4.123 12.312 1.294 233 HE1 PHE 30 1HE PHE 30 -2.131 7.868 2.060 234 HE2 PHE 30 2HE PHE 30 -2.360 11.418 -0.253 235 HZ PHE 30 HZ PHE 30 -1.385 9.207 0.149 236 H GLY 31 H GLY 31 -5.260 11.629 7.068 237 1HA GLY 31 1HA GLY 31 -6.992 12.196 8.403 238 2HA GLY 31 2HA GLY 31 -6.695 13.810 7.788 239 H VAL 32 H VAL 32 -8.029 10.801 6.236 240 HA VAL 32 HA VAL 32 -10.498 12.321 5.761 241 HB VAL 32 HB VAL 32 -9.047 10.440 3.889 242 1HG1 VAL 32 1HG1 VAL 32 -11.802 10.804 4.102 243 2HG1 VAL 32 2HG1 VAL 32 -11.322 11.888 2.775 244 3HG1 VAL 32 3HG1 VAL 32 -10.920 10.156 2.699 245 1HG2 VAL 32 1HG2 VAL 32 -7.985 12.309 3.260 246 2HG2 VAL 32 2HG2 VAL 32 -9.541 12.843 2.581 247 3HG2 VAL 32 3HG2 VAL 32 -9.067 13.344 4.222 248 H SER 33 H SER 33 -10.839 11.213 7.985 249 HA SER 33 HA SER 33 -11.762 8.496 7.460 250 1HB SER 33 1HB SER 33 -11.411 8.003 9.828 251 2HB SER 33 2HB SER 33 -9.928 8.639 9.145 252 HG SER 33 HG SER 33 -10.003 10.049 10.752 253 H ALA 34 H ALA 34 -13.729 9.675 6.567 254 HA ALA 34 HA ALA 34 -15.588 10.170 8.760 255 1HB ALA 34 1HB ALA 34 -14.496 12.189 6.979 256 2HB ALA 34 2HB ALA 34 -16.253 12.035 6.746 257 3HB ALA 34 3HB ALA 34 -15.598 12.382 8.363 258 H ALA 35 H ALA 35 -15.846 7.811 7.887 259 HA ALA 35 HA ALA 35 -18.194 7.829 6.295 260 1HB ALA 35 1HB ALA 35 -17.313 6.472 4.428 261 2HB ALA 35 2HB ALA 35 -16.526 8.067 4.491 262 3HB ALA 35 3HB ALA 35 -15.668 6.626 5.090 263 H ALA 36 H ALA 36 -18.670 6.960 8.512 264 HA ALA 36 HA ALA 36 -19.009 5.303 9.945 265 1HB ALA 36 1HB ALA 36 -19.831 3.302 9.005 266 2HB ALA 36 2HB ALA 36 -20.073 4.503 7.714 267 3HB ALA 36 3HB ALA 36 -18.700 3.373 7.633 268 H ALA 37 H ALA 37 -16.587 6.113 10.440 269 HA ALA 37 HA ALA 37 -14.464 4.410 9.841 270 1HB ALA 37 1HB ALA 37 -14.953 6.793 11.302 271 2HB ALA 37 2HB ALA 37 -14.183 5.658 12.437 272 3HB ALA 37 3HB ALA 37 -13.378 6.065 10.902 273 1H SER 1 H SER 1 11.533 -2.939 -1.034 274 HA SER 1 HA SER 1 11.451 -3.200 1.835 275 1HB SER 1 1HB SER 1 12.516 -0.846 0.410 276 2HB SER 1 2HB SER 1 11.205 -0.431 1.497 277 HG SER 1 HG SER 1 13.647 -1.837 2.164 278 H ILE 2 H ILE 2 9.432 -4.320 1.062 279 HA ILE 2 HA ILE 2 7.427 -2.472 0.011 280 HB ILE 2 HB ILE 2 7.251 -5.469 0.289 281 1HG1 ILE 2 1HG1 ILE 2 8.215 -3.856 -2.092 282 2HG1 ILE 2 2HG1 ILE 2 9.207 -4.888 -1.082 283 1HG2 ILE 2 1HG2 ILE 2 5.584 -5.104 -1.607 284 2HG2 ILE 2 2HG2 ILE 2 5.091 -4.584 0.022 285 3HG2 ILE 2 3HG2 ILE 2 5.635 -3.379 -1.171 286 1HD1 ILE 2 1HD1 ILE 2 7.171 -6.626 -1.745 287 2HD1 ILE 2 2HD1 ILE 2 7.272 -5.623 -3.212 288 3HD1 ILE 2 3HD1 ILE 2 8.710 -6.497 -2.630 289 H THR 3 H THR 3 7.841 -1.564 2.403 290 HA THR 3 HA THR 3 6.304 -3.059 4.363 291 HB THR 3 HB THR 3 7.081 -1.109 5.820 292 HG1 THR 3 1HG THR 3 8.438 0.411 4.704 293 1HG2 THR 3 1HG2 THR 3 8.711 -2.792 5.997 294 2HG2 THR 3 2HG2 THR 3 8.981 -2.850 4.238 295 3HG2 THR 3 3HG2 THR 3 9.669 -1.520 5.202 296 H LYS 4 H LYS 4 4.545 -2.031 5.596 297 HA LYS 4 HA LYS 4 2.525 -1.213 3.898 298 1HB LYS 4 1HB LYS 4 2.927 -1.259 6.867 299 2HB LYS 4 2HB LYS 4 1.545 -0.396 6.224 300 1HG LYS 4 1HG LYS 4 0.507 -2.427 6.197 301 2HG LYS 4 2HG LYS 4 1.447 -2.740 4.751 302 1HD LYS 4 1HD LYS 4 2.757 -3.267 7.417 303 2HD LYS 4 2HD LYS 4 1.524 -4.390 6.879 304 1HE LYS 4 1HE LYS 4 3.300 -3.802 4.653 305 2HE LYS 4 2HE LYS 4 4.262 -4.261 6.044 306 1HZ LYS 4 1HZ LYS 4 3.670 -6.329 5.665 307 2HZ LYS 4 2HZ LYS 4 2.099 -5.973 5.933 308 3HZ LYS 4 3HZ LYS 4 2.708 -5.893 4.420 309 H ASP 5 H ASP 5 4.763 0.713 5.979 310 HA ASP 5 HA ASP 5 3.529 3.129 5.606 311 1HB ASP 5 1HB ASP 5 6.298 2.196 6.294 312 2HB ASP 5 2HB ASP 5 6.150 3.872 5.802 313 H GLN 6 H GLN 6 6.064 1.384 3.704 314 HA GLN 6 HA GLN 6 6.762 3.441 2.028 315 1HB GLN 6 1HB GLN 6 6.923 0.454 1.959 316 2HB GLN 6 2HB GLN 6 7.124 1.267 0.420 317 1HG GLN 6 1HG GLN 6 8.655 2.216 2.866 318 2HG GLN 6 2HG GLN 6 9.239 0.854 1.930 319 1HE2 GLN 6 1HE2 GLN 6 10.316 1.177 0.104 320 2HE2 GLN 6 2HE2 GLN 6 10.584 2.705 -0.666 321 H ILE 7 H ILE 7 3.873 1.420 2.116 322 HA ILE 7 HA ILE 7 3.140 2.004 -0.600 323 HB ILE 7 HB ILE 7 1.734 0.629 1.686 324 1HG1 ILE 7 1HG1 ILE 7 2.565 -0.724 -0.847 325 2HG1 ILE 7 2HG1 ILE 7 3.815 -0.322 0.314 326 1HG2 ILE 7 1HG2 ILE 7 0.423 -0.095 -0.639 327 2HG2 ILE 7 2HG2 ILE 7 -0.175 1.027 0.607 328 3HG2 ILE 7 3HG2 ILE 7 0.667 1.658 -0.829 329 1HD1 ILE 7 1HD1 ILE 7 1.452 -1.488 1.624 330 2HD1 ILE 7 2HD1 ILE 7 2.154 -2.573 0.401 331 3HD1 ILE 7 3HD1 ILE 7 3.162 -1.969 1.737 332 H ILE 8 H ILE 8 2.691 3.371 2.630 333 HA ILE 8 HA ILE 8 0.365 4.823 2.136 334 HB ILE 8 HB ILE 8 2.682 5.300 4.008 335 1HG1 ILE 8 1HG1 ILE 8 1.560 3.200 4.423 336 2HG1 ILE 8 2HG1 ILE 8 1.169 4.340 5.695 337 1HG2 ILE 8 1HG2 ILE 8 0.042 6.736 3.738 338 2HG2 ILE 8 2HG2 ILE 8 0.945 6.685 5.271 339 3HG2 ILE 8 3HG2 ILE 8 1.685 7.416 3.827 340 1HD1 ILE 8 1HD1 ILE 8 -1.006 3.819 5.281 341 2HD1 ILE 8 2HD1 ILE 8 -0.842 4.819 3.817 342 3HD1 ILE 8 3HD1 ILE 8 -0.605 3.057 3.722 343 H GLU 9 H GLU 9 3.858 5.677 1.717 344 HA GLU 9 HA GLU 9 3.298 8.262 0.829 345 1HB GLU 9 1HB GLU 9 5.670 8.289 0.124 346 2HB GLU 9 2HB GLU 9 5.495 7.608 1.729 347 1HG GLU 9 1HG GLU 9 5.866 5.381 0.968 348 2HG GLU 9 2HG GLU 9 5.486 5.783 -0.695 349 H ALA 10 H ALA 10 2.938 5.159 -0.653 350 HA ALA 10 HA ALA 10 3.448 5.997 -3.336 351 1HB ALA 10 1HB ALA 10 3.244 3.779 -3.788 352 2HB ALA 10 2HB ALA 10 3.313 3.594 -2.019 353 3HB ALA 10 3HB ALA 10 1.739 3.625 -2.849 354 H VAL 11 H VAL 11 0.639 5.775 -1.128 355 HA VAL 11 HA VAL 11 -1.234 6.314 -3.231 356 HB VAL 11 HB VAL 11 -1.369 6.078 -0.232 357 1HG1 VAL 11 1HG1 VAL 11 -3.939 6.151 -0.706 358 2HG1 VAL 11 2HG1 VAL 11 -3.034 7.672 -0.520 359 3HG1 VAL 11 3HG1 VAL 11 -3.463 7.086 -2.144 360 1HG2 VAL 11 1HG2 VAL 11 -1.987 4.353 -2.577 361 2HG2 VAL 11 2HG2 VAL 11 -1.376 3.923 -0.962 362 3HG2 VAL 11 3HG2 VAL 11 -3.107 4.262 -1.197 363 H ALA 12 H ALA 12 0.963 8.140 -1.267 364 HA ALA 12 HA ALA 12 -0.614 10.575 -1.632 365 1HB ALA 12 1HB ALA 12 1.820 11.099 -0.273 366 2HB ALA 12 2HB ALA 12 0.184 11.004 0.423 367 3HB ALA 12 3HB ALA 12 1.213 9.553 0.368 368 H ALA 13 H ALA 13 1.254 8.748 -3.546 369 HA ALA 13 HA ALA 13 2.944 10.954 -4.476 370 1HB ALA 13 1HB ALA 13 3.651 8.714 -5.921 371 2HB ALA 13 2HB ALA 13 4.435 9.247 -4.414 372 3HB ALA 13 3HB ALA 13 3.157 8.009 -4.363 373 H MET 14 H MET 14 0.134 8.945 -5.199 374 HA MET 14 HA MET 14 0.167 9.772 -7.958 375 1HB MET 14 1HB MET 14 -1.874 8.131 -6.355 376 2HB MET 14 2HB MET 14 -1.856 8.290 -8.101 377 1HG MET 14 1HG MET 14 0.726 7.435 -7.655 378 2HG MET 14 2HG MET 14 -0.101 6.643 -6.329 379 1HE MET 14 1HE MET 14 -0.756 3.696 -7.460 380 2HE MET 14 2HE MET 14 -1.195 4.943 -6.268 381 3HE MET 14 3HE MET 14 -2.413 4.346 -7.421 382 H SER 15 H SER 15 -2.132 10.491 -8.854 383 HA SER 15 HA SER 15 -2.677 12.906 -7.474 384 1HB SER 15 1HB SER 15 -4.560 12.822 -9.457 385 2HB SER 15 2HB SER 15 -2.915 13.378 -9.693 386 HG SER 15 HG SER 15 -4.159 10.996 -10.556 387 H VAL 16 H VAL 16 -5.021 13.607 -7.021 388 HA VAL 16 HA VAL 16 -6.126 11.844 -5.173 389 HB VAL 16 HB VAL 16 -7.355 14.236 -6.558 390 1HG1 VAL 16 1HG1 VAL 16 -8.875 12.614 -5.245 391 2HG1 VAL 16 2HG1 VAL 16 -8.044 13.228 -3.796 392 3HG1 VAL 16 3HG1 VAL 16 -8.951 14.346 -4.843 393 1HG2 VAL 16 1HG2 VAL 16 -5.962 15.537 -5.402 394 2HG2 VAL 16 2HG2 VAL 16 -6.435 14.748 -3.878 395 3HG2 VAL 16 3HG2 VAL 16 -5.100 14.081 -4.848 396 H MET 17 H MET 17 -6.985 12.605 -8.594 397 HA MET 17 HA MET 17 -9.329 11.152 -8.640 398 1HB MET 17 1HB MET 17 -7.308 12.170 -10.634 399 2HB MET 17 2HB MET 17 -8.416 10.947 -11.224 400 1HG MET 17 1HG MET 17 -9.491 13.337 -9.690 401 2HG MET 17 2HG MET 17 -9.088 13.502 -11.387 402 1HE MET 17 1HE MET 17 -12.529 13.644 -11.713 403 2HE MET 17 2HE MET 17 -12.798 13.071 -10.050 404 3HE MET 17 3HE MET 17 -11.486 14.223 -10.392 405 H ASP 18 H ASP 18 -5.927 10.179 -9.406 406 HA ASP 18 HA ASP 18 -6.504 7.668 -10.336 407 1HB ASP 18 1HB ASP 18 -4.276 8.706 -10.505 408 2HB ASP 18 2HB ASP 18 -4.100 8.697 -8.761 409 H VAL 19 H VAL 19 -6.299 9.028 -7.043 410 HA VAL 19 HA VAL 19 -6.112 6.478 -5.752 411 HB VAL 19 HB VAL 19 -6.641 9.281 -4.749 412 1HG1 VAL 19 1HG1 VAL 19 -6.539 6.645 -3.345 413 2HG1 VAL 19 2HG1 VAL 19 -5.759 8.037 -2.555 414 3HG1 VAL 19 3HG1 VAL 19 -7.487 8.106 -2.977 415 1HG2 VAL 19 1HG2 VAL 19 -4.150 8.188 -3.873 416 2HG2 VAL 19 2HG2 VAL 19 -4.265 7.968 -5.635 417 3HG2 VAL 19 3HG2 VAL 19 -4.442 9.592 -4.927 418 H VAL 20 H VAL 20 -8.658 8.789 -6.718 419 HA VAL 20 HA VAL 20 -10.720 7.708 -5.175 420 HB VAL 20 HB VAL 20 -10.523 9.322 -7.694 421 1HG1 VAL 20 1HG1 VAL 20 -13.080 8.208 -6.495 422 2HG1 VAL 20 2HG1 VAL 20 -13.016 9.551 -7.661 423 3HG1 VAL 20 3HG1 VAL 20 -12.444 7.933 -8.135 424 1HG2 VAL 20 1HG2 VAL 20 -10.169 10.275 -5.364 425 2HG2 VAL 20 2HG2 VAL 20 -11.399 11.086 -6.363 426 3HG2 VAL 20 3HG2 VAL 20 -11.898 9.966 -5.073 427 H GLU 21 H GLU 21 -9.538 6.958 -8.514 428 HA GLU 21 HA GLU 21 -11.477 5.063 -9.050 429 1HB GLU 21 1HB GLU 21 -8.764 5.747 -10.132 430 2HB GLU 21 2HB GLU 21 -9.412 4.178 -10.568 431 1HG GLU 21 1HG GLU 21 -11.348 6.439 -10.795 432 2HG GLU 21 2HG GLU 21 -9.990 6.522 -11.898 433 H LEU 22 H LEU 22 -8.206 4.791 -7.540 434 HA LEU 22 HA LEU 22 -8.097 2.030 -7.393 435 1HB LEU 22 1HB LEU 22 -6.251 3.637 -6.995 436 2HB LEU 22 2HB LEU 22 -6.971 4.053 -5.453 437 HG LEU 22 HG LEU 22 -6.442 1.165 -5.894 438 1HD1 LEU 22 1HD1 LEU 22 -4.006 1.641 -5.109 439 2HD1 LEU 22 2HD1 LEU 22 -4.416 1.755 -6.837 440 3HD1 LEU 22 3HD1 LEU 22 -4.266 3.235 -5.859 441 1HD2 LEU 22 1HD2 LEU 22 -5.612 1.407 -3.521 442 2HD2 LEU 22 2HD2 LEU 22 -6.144 3.105 -3.594 443 3HD2 LEU 22 3HD2 LEU 22 -7.330 1.791 -3.787 444 H ILE 23 H ILE 23 -9.052 4.317 -4.727 445 HA ILE 23 HA ILE 23 -9.894 2.438 -2.952 446 HB ILE 23 HB ILE 23 -10.876 5.234 -3.496 447 1HG1 ILE 23 1HG1 ILE 23 -8.506 4.946 -2.825 448 2HG1 ILE 23 2HG1 ILE 23 -9.451 5.865 -1.670 449 1HG2 ILE 23 1HG2 ILE 23 -12.607 3.803 -2.337 450 2HG2 ILE 23 2HG2 ILE 23 -11.451 3.637 -0.994 451 3HG2 ILE 23 3HG2 ILE 23 -12.065 5.245 -1.446 452 1HD1 ILE 23 1HD1 ILE 23 -7.882 3.612 -1.101 453 2HD1 ILE 23 2HD1 ILE 23 -9.094 4.343 -0.023 454 3HD1 ILE 23 3HD1 ILE 23 -9.549 2.987 -1.083 455 H SER 24 H SER 24 -11.727 3.880 -5.705 456 HA SER 24 HA SER 24 -14.148 2.727 -5.024 457 1HB SER 24 1HB SER 24 -12.944 4.007 -7.434 458 2HB SER 24 2HB SER 24 -14.304 2.951 -7.759 459 HG SER 24 HG SER 24 -15.640 4.408 -6.937 460 H ALA 25 H ALA 25 -11.326 1.550 -6.894 461 HA ALA 25 HA ALA 25 -12.520 -0.651 -8.099 462 1HB ALA 25 1HB ALA 25 -10.361 -1.195 -8.708 463 2HB ALA 25 2HB ALA 25 -10.115 0.506 -8.247 464 3HB ALA 25 3HB ALA 25 -9.691 -0.794 -7.108 465 H MET 26 H MET 26 -10.401 -0.669 -5.139 466 HA MET 26 HA MET 26 -10.915 -3.224 -4.418 467 1HB MET 26 1HB MET 26 -10.415 -0.714 -2.733 468 2HB MET 26 2HB MET 26 -10.408 -2.319 -2.030 469 1HG MET 26 1HG MET 26 -8.532 -3.014 -3.421 470 2HG MET 26 2HG MET 26 -8.646 -1.571 -4.407 471 1HE MET 26 1HE MET 26 -5.912 -2.542 -2.948 472 2HE MET 26 2HE MET 26 -6.138 -1.191 -4.084 473 3HE MET 26 3HE MET 26 -5.322 -0.917 -2.526 474 H GLU 27 H GLU 27 -12.864 -0.279 -3.743 475 HA GLU 27 HA GLU 27 -14.503 -1.239 -1.816 476 1HB GLU 27 1HB GLU 27 -14.731 0.812 -3.976 477 2HB GLU 27 2HB GLU 27 -16.246 0.299 -3.260 478 1HG GLU 27 1HG GLU 27 -14.114 0.795 -1.258 479 2HG GLU 27 2HG GLU 27 -14.524 2.216 -2.198 480 H GLU 28 H GLU 28 -14.755 -1.674 -5.393 481 HA GLU 28 HA GLU 28 -17.195 -3.113 -5.111 482 1HB GLU 28 1HB GLU 28 -16.833 -1.742 -7.099 483 2HB GLU 28 2HB GLU 28 -15.359 -2.606 -7.489 484 1HG GLU 28 1HG GLU 28 -16.485 -4.363 -8.435 485 2HG GLU 28 2HG GLU 28 -17.692 -4.401 -7.165 486 H LYS 29 H LYS 29 -13.751 -3.872 -5.936 487 HA LYS 29 HA LYS 29 -14.050 -6.536 -6.510 488 1HB LYS 29 1HB LYS 29 -11.994 -5.346 -6.924 489 2HB LYS 29 2HB LYS 29 -11.755 -5.041 -5.216 490 1HG LYS 29 1HG LYS 29 -10.356 -6.907 -5.638 491 2HG LYS 29 2HG LYS 29 -11.783 -7.627 -4.918 492 1HD LYS 29 1HD LYS 29 -12.130 -7.379 -7.811 493 2HD LYS 29 2HD LYS 29 -10.642 -8.233 -7.452 494 1HE LYS 29 1HE LYS 29 -13.249 -8.965 -6.061 495 2HE LYS 29 2HE LYS 29 -12.845 -9.627 -7.632 496 1HZ LYS 29 1HZ LYS 29 -12.116 -10.983 -5.735 497 2HZ LYS 29 2HZ LYS 29 -10.890 -10.575 -6.734 498 3HZ LYS 29 3HZ LYS 29 -11.067 -9.809 -5.303 499 H PHE 30 H PHE 30 -12.971 -5.222 -3.293 500 HA PHE 30 HA PHE 30 -13.510 -7.724 -2.057 501 1HB PHE 30 1HB PHE 30 -12.787 -4.871 -1.203 502 2HB PHE 30 2HB PHE 30 -13.095 -6.097 0.011 503 HD1 PHE 30 1HD PHE 30 -11.590 -8.056 0.201 504 HD2 PHE 30 2HD PHE 30 -10.747 -4.855 -2.454 505 HE1 PHE 30 1HE PHE 30 -9.208 -8.828 0.026 506 HE2 PHE 30 2HE PHE 30 -8.365 -5.626 -2.628 507 HZ PHE 30 HZ PHE 30 -7.624 -7.604 -1.386 508 H GLY 31 H GLY 31 -15.569 -5.299 -3.154 509 1HA GLY 31 1HA GLY 31 -17.647 -4.604 -2.604 510 2HA GLY 31 2HA GLY 31 -17.895 -6.286 -2.179 511 H VAL 32 H VAL 32 -15.926 -3.620 -0.676 512 HA VAL 32 HA VAL 32 -17.029 -4.391 1.903 513 HB VAL 32 HB VAL 32 -14.569 -4.093 1.452 514 1HG1 VAL 32 1HG1 VAL 32 -14.815 -1.156 1.802 515 2HG1 VAL 32 2HG1 VAL 32 -13.633 -2.110 0.874 516 3HG1 VAL 32 3HG1 VAL 32 -15.248 -1.791 0.196 517 1HG2 VAL 32 1HG2 VAL 32 -14.372 -2.482 3.578 518 2HG2 VAL 32 2HG2 VAL 32 -16.117 -2.820 3.664 519 3HG2 VAL 32 3HG2 VAL 32 -14.948 -4.162 3.704 520 H SER 33 H SER 33 -19.056 -3.406 0.375 521 HA SER 33 HA SER 33 -19.196 -0.582 1.032 522 1HB SER 33 1HB SER 33 -21.248 -0.665 -0.500 523 2HB SER 33 2HB SER 33 -19.699 -0.942 -1.271 524 HG SER 33 HG SER 33 -21.532 -2.474 -1.796 525 H ALA 34 H ALA 34 -19.967 -0.335 3.119 526 HA ALA 34 HA ALA 34 -22.348 -1.918 3.810 527 1HB ALA 34 1HB ALA 34 -20.494 -0.717 5.862 528 2HB ALA 34 2HB ALA 34 -21.559 -2.137 5.993 529 3HB ALA 34 3HB ALA 34 -20.048 -2.241 5.057 530 H ALA 35 H ALA 35 -23.226 0.031 2.416 531 HA ALA 35 HA ALA 35 -24.254 1.993 2.301 532 1HB ALA 35 1HB ALA 35 -25.260 0.614 4.425 533 2HB ALA 35 2HB ALA 35 -24.773 2.126 5.227 534 3HB ALA 35 3HB ALA 35 -25.910 2.171 3.859 535 H ALA 36 H ALA 36 -22.211 3.073 1.756 536 HA ALA 36 HA ALA 36 -20.756 4.726 1.961 537 1HB ALA 36 1HB ALA 36 -21.350 6.549 3.644 538 2HB ALA 36 2HB ALA 36 -22.620 6.139 2.467 539 3HB ALA 36 3HB ALA 36 -22.722 5.526 4.135 540 H ALA 37 H ALA 37 -19.370 2.774 2.648 541 HA ALA 37 HA ALA 37 -18.072 3.538 5.134 542 1HB ALA 37 1HB ALA 37 -18.288 1.484 6.189 543 2HB ALA 37 2HB ALA 37 -19.866 1.593 5.373 544 3HB ALA 37 3HB ALA 37 -18.564 0.608 4.664 Start of MODEL 2 1 1H SER 1 H SER 1 5.769 -2.426 -14.731 2 HA SER 1 HA SER 1 3.576 -2.167 -14.779 3 1HB SER 1 1HB SER 1 4.246 -4.708 -15.182 4 2HB SER 1 2HB SER 1 3.352 -4.982 -13.700 5 HG SER 1 HG SER 1 1.686 -5.079 -15.070 6 H ILE 2 H ILE 2 3.673 -0.631 -12.845 7 HA ILE 2 HA ILE 2 2.482 -1.836 -10.458 8 HB ILE 2 HB ILE 2 3.647 0.928 -10.749 9 1HG1 ILE 2 1HG1 ILE 2 5.064 -1.607 -9.876 10 2HG1 ILE 2 2HG1 ILE 2 5.354 -0.732 -11.366 11 1HG2 ILE 2 1HG2 ILE 2 4.001 0.188 -8.167 12 2HG2 ILE 2 2HG2 ILE 2 2.591 1.092 -8.769 13 3HG2 ILE 2 3HG2 ILE 2 2.490 -0.672 -8.550 14 1HD1 ILE 2 1HD1 ILE 2 6.077 0.017 -8.546 15 2HD1 ILE 2 2HD1 ILE 2 7.014 0.211 -10.047 16 3HD1 ILE 2 3HD1 ILE 2 5.685 1.335 -9.676 17 H THR 3 H THR 3 0.596 -1.990 -12.233 18 HA THR 3 HA THR 3 -0.824 0.499 -12.561 19 HB THR 3 HB THR 3 -2.482 -1.112 -13.667 20 HG1 THR 3 1HG THR 3 -1.534 -3.327 -13.811 21 1HG2 THR 3 1HG2 THR 3 -1.110 -1.600 -15.579 22 2HG2 THR 3 2HG2 THR 3 -0.389 -0.128 -14.885 23 3HG2 THR 3 3HG2 THR 3 0.364 -1.713 -14.588 24 H LYS 4 H LYS 4 -3.081 0.799 -11.855 25 HA LYS 4 HA LYS 4 -3.283 0.577 -9.108 26 1HB LYS 4 1HB LYS 4 -5.118 1.301 -11.347 27 2HB LYS 4 2HB LYS 4 -5.848 0.948 -9.794 28 1HG LYS 4 1HG LYS 4 -5.289 3.031 -9.101 29 2HG LYS 4 2HG LYS 4 -3.599 2.577 -9.196 30 1HD LYS 4 1HD LYS 4 -4.875 3.262 -11.810 31 2HD LYS 4 2HD LYS 4 -4.739 4.593 -10.679 32 1HE LYS 4 1HE LYS 4 -2.319 4.266 -10.475 33 2HE LYS 4 2HE LYS 4 -2.391 2.779 -11.400 34 1HZ LYS 4 1HZ LYS 4 -2.467 5.488 -12.322 35 2HZ LYS 4 2HZ LYS 4 -1.933 4.143 -13.080 36 3HZ LYS 4 3HZ LYS 4 -3.528 4.497 -13.070 37 H ASP 5 H ASP 5 -4.562 -1.530 -11.739 38 HA ASP 5 HA ASP 5 -6.143 -3.107 -10.152 39 1HB ASP 5 1HB ASP 5 -4.664 -3.489 -12.755 40 2HB ASP 5 2HB ASP 5 -5.379 -4.904 -12.009 41 H GLN 6 H GLN 6 -2.654 -3.383 -11.117 42 HA GLN 6 HA GLN 6 -2.172 -5.858 -10.060 43 1HB GLN 6 1HB GLN 6 -0.497 -3.452 -10.717 44 2HB GLN 6 2HB GLN 6 0.255 -4.707 -9.752 45 1HG GLN 6 1HG GLN 6 -1.250 -5.394 -12.304 46 2HG GLN 6 2HG GLN 6 0.422 -4.873 -12.360 47 1HE2 GLN 6 1HE2 GLN 6 2.041 -6.181 -11.671 48 2HE2 GLN 6 2HE2 GLN 6 1.837 -7.841 -11.221 49 H ILE 7 H ILE 7 -2.668 -2.763 -8.464 50 HA ILE 7 HA ILE 7 -1.343 -3.546 -6.043 51 HB ILE 7 HB ILE 7 -3.073 -1.193 -6.798 52 1HG1 ILE 7 1HG1 ILE 7 -0.723 -1.527 -7.799 53 2HG1 ILE 7 2HG1 ILE 7 -1.117 0.024 -7.086 54 1HG2 ILE 7 1HG2 ILE 7 -2.187 -0.201 -4.647 55 2HG2 ILE 7 2HG2 ILE 7 -3.422 -1.471 -4.472 56 3HG2 ILE 7 3HG2 ILE 7 -1.707 -1.851 -4.182 57 1HD1 ILE 7 1HD1 ILE 7 0.253 -2.191 -5.505 58 2HD1 ILE 7 2HD1 ILE 7 1.152 -0.957 -6.419 59 3HD1 ILE 7 3HD1 ILE 7 0.102 -0.473 -5.066 60 H ILE 8 H ILE 8 -4.602 -3.668 -7.453 61 HA ILE 8 HA ILE 8 -6.048 -4.027 -5.109 62 HB ILE 8 HB ILE 8 -6.546 -5.126 -7.878 63 1HG1 ILE 8 1HG1 ILE 8 -6.267 -2.750 -8.006 64 2HG1 ILE 8 2HG1 ILE 8 -7.977 -3.112 -8.138 65 1HG2 ILE 8 1HG2 ILE 8 -8.006 -6.320 -6.514 66 2HG2 ILE 8 2HG2 ILE 8 -8.268 -4.945 -5.415 67 3HG2 ILE 8 3HG2 ILE 8 -8.981 -4.929 -7.046 68 1HD1 ILE 8 1HD1 ILE 8 -8.205 -2.654 -5.650 69 2HD1 ILE 8 2HD1 ILE 8 -6.509 -2.113 -5.657 70 3HD1 ILE 8 3HD1 ILE 8 -7.728 -1.236 -6.614 71 H GLU 9 H GLU 9 -4.456 -6.442 -7.295 72 HA GLU 9 HA GLU 9 -5.255 -8.628 -5.775 73 1HB GLU 9 1HB GLU 9 -3.023 -8.189 -7.789 74 2HB GLU 9 2HB GLU 9 -3.257 -9.744 -7.015 75 1HG GLU 9 1HG GLU 9 -4.887 -10.232 -8.509 76 2HG GLU 9 2HG GLU 9 -5.845 -8.903 -7.887 77 H ALA 10 H ALA 10 -2.941 -6.141 -5.169 78 HA ALA 10 HA ALA 10 -1.101 -7.740 -3.674 79 1HB ALA 10 1HB ALA 10 -1.379 -4.752 -3.398 80 2HB ALA 10 2HB ALA 10 0.091 -5.755 -3.436 81 3HB ALA 10 3HB ALA 10 -0.810 -5.438 -4.938 82 H VAL 11 H VAL 11 -3.903 -5.575 -2.983 83 HA VAL 11 HA VAL 11 -3.575 -5.777 -0.167 84 HB VAL 11 HB VAL 11 -5.700 -4.750 -2.031 85 1HG1 VAL 11 1HG1 VAL 11 -7.059 -5.547 -0.284 86 2HG1 VAL 11 2HG1 VAL 11 -5.872 -5.104 0.966 87 3HG1 VAL 11 3HG1 VAL 11 -6.784 -3.834 0.116 88 1HG2 VAL 11 1HG2 VAL 11 -5.082 -2.640 -0.584 89 2HG2 VAL 11 2HG2 VAL 11 -3.605 -3.568 -0.232 90 3HG2 VAL 11 3HG2 VAL 11 -4.022 -3.165 -1.914 91 H ALA 12 H ALA 12 -4.876 -7.826 -2.663 92 HA ALA 12 HA ALA 12 -6.522 -9.284 -0.754 93 1HB ALA 12 1HB ALA 12 -6.601 -10.650 -3.153 94 2HB ALA 12 2HB ALA 12 -7.741 -9.373 -2.662 95 3HB ALA 12 3HB ALA 12 -6.340 -8.971 -3.684 96 H ALA 13 H ALA 13 -3.360 -9.010 -1.005 97 HA ALA 13 HA ALA 13 -2.837 -11.898 -1.110 98 1HB ALA 13 1HB ALA 13 -0.817 -9.637 -1.270 99 2HB ALA 13 2HB ALA 13 -0.595 -11.344 -1.721 100 3HB ALA 13 3HB ALA 13 -1.643 -10.292 -2.704 101 H MET 14 H MET 14 -2.814 -8.948 0.850 102 HA MET 14 HA MET 14 -1.326 -10.292 2.924 103 1HB MET 14 1HB MET 14 -2.515 -7.477 2.648 104 2HB MET 14 2HB MET 14 -1.638 -8.004 4.071 105 1HG MET 14 1HG MET 14 0.344 -7.565 3.054 106 2HG MET 14 2HG MET 14 -0.044 -8.676 1.755 107 1HE MET 14 1HE MET 14 1.094 -4.867 0.733 108 2HE MET 14 2HE MET 14 1.616 -6.114 1.891 109 3HE MET 14 3HE MET 14 1.502 -6.501 0.157 110 H SER 15 H SER 15 -2.270 -9.796 5.292 111 HA SER 15 HA SER 15 -4.759 -11.136 5.350 112 1HB SER 15 1HB SER 15 -4.366 -10.342 7.939 113 2HB SER 15 2HB SER 15 -3.641 -11.773 7.234 114 HG SER 15 HG SER 15 -2.311 -9.835 8.343 115 H VAL 16 H VAL 16 -6.593 -10.236 6.857 116 HA VAL 16 HA VAL 16 -7.487 -7.822 5.730 117 HB VAL 16 HB VAL 16 -8.444 -9.425 8.109 118 1HG1 VAL 16 1HG1 VAL 16 -10.585 -8.257 7.837 119 2HG1 VAL 16 2HG1 VAL 16 -9.272 -7.113 8.207 120 3HG1 VAL 16 3HG1 VAL 16 -9.884 -7.257 6.542 121 1HG2 VAL 16 1HG2 VAL 16 -10.056 -9.496 5.673 122 2HG2 VAL 16 2HG2 VAL 16 -8.406 -10.113 5.415 123 3HG2 VAL 16 3HG2 VAL 16 -9.438 -10.830 6.676 124 H MET 17 H MET 17 -6.057 -8.698 8.929 125 HA MET 17 HA MET 17 -6.421 -6.241 10.111 126 1HB MET 17 1HB MET 17 -4.567 -8.602 10.446 127 2HB MET 17 2HB MET 17 -4.114 -7.132 11.287 128 1HG MET 17 1HG MET 17 -5.490 -8.004 12.925 129 2HG MET 17 2HG MET 17 -6.734 -7.195 11.992 130 1HE MET 17 1HE MET 17 -8.566 -10.484 12.874 131 2HE MET 17 2HE MET 17 -7.567 -9.394 13.865 132 3HE MET 17 3HE MET 17 -8.723 -8.721 12.691 133 H ASP 18 H ASP 18 -3.664 -7.511 8.139 134 HA ASP 18 HA ASP 18 -1.961 -5.413 8.527 135 1HB ASP 18 1HB ASP 18 -1.875 -7.729 7.111 136 2HB ASP 18 2HB ASP 18 -2.148 -6.625 5.778 137 H VAL 19 H VAL 19 -4.762 -5.854 6.321 138 HA VAL 19 HA VAL 19 -4.160 -3.546 4.747 139 HB VAL 19 HB VAL 19 -6.551 -5.376 4.980 140 1HG1 VAL 19 1HG1 VAL 19 -7.258 -3.107 4.275 141 2HG1 VAL 19 2HG1 VAL 19 -6.091 -3.180 2.932 142 3HG1 VAL 19 3HG1 VAL 19 -7.459 -4.318 2.986 143 1HG2 VAL 19 1HG2 VAL 19 -4.365 -6.249 4.025 144 2HG2 VAL 19 2HG2 VAL 19 -5.786 -6.374 2.959 145 3HG2 VAL 19 3HG2 VAL 19 -4.583 -5.089 2.693 146 H VAL 20 H VAL 20 -6.064 -4.323 7.656 147 HA VAL 20 HA VAL 20 -7.627 -2.005 7.691 148 HB VAL 20 HB VAL 20 -6.668 -3.986 9.732 149 1HG1 VAL 20 1HG1 VAL 20 -6.725 -1.958 11.009 150 2HG1 VAL 20 2HG1 VAL 20 -8.270 -1.468 10.274 151 3HG1 VAL 20 3HG1 VAL 20 -8.212 -2.864 11.376 152 1HG2 VAL 20 1HG2 VAL 20 -8.772 -4.895 9.588 153 2HG2 VAL 20 2HG2 VAL 20 -9.538 -3.344 9.168 154 3HG2 VAL 20 3HG2 VAL 20 -8.611 -4.241 7.941 155 H GLU 21 H GLU 21 -4.365 -2.769 9.058 156 HA GLU 21 HA GLU 21 -3.992 -0.372 10.338 157 1HB GLU 21 1HB GLU 21 -2.172 -2.472 9.177 158 2HB GLU 21 2HB GLU 21 -1.453 -0.962 9.699 159 1HG GLU 21 1HG GLU 21 -3.356 -2.499 11.508 160 2HG GLU 21 2HG GLU 21 -1.653 -2.905 11.439 161 H LEU 22 H LEU 22 -3.334 -1.330 6.919 162 HA LEU 22 HA LEU 22 -2.066 0.996 6.118 163 1HB LEU 22 1HB LEU 22 -2.159 -1.092 4.844 164 2HB LEU 22 2HB LEU 22 -3.871 -0.855 4.554 165 HG LEU 22 HG LEU 22 -2.067 1.350 3.694 166 1HD1 LEU 22 1HD1 LEU 22 -0.654 -0.307 2.882 167 2HD1 LEU 22 2HD1 LEU 22 -1.996 -1.411 2.499 168 3HD1 LEU 22 3HD1 LEU 22 -1.718 0.033 1.496 169 1HD2 LEU 22 1HD2 LEU 22 -3.634 1.222 1.696 170 2HD2 LEU 22 2HD2 LEU 22 -4.561 0.021 2.627 171 3HD2 LEU 22 3HD2 LEU 22 -4.361 1.674 3.256 172 H ILE 23 H ILE 23 -5.560 0.152 5.552 173 HA ILE 23 HA ILE 23 -6.328 2.593 4.624 174 HB ILE 23 HB ILE 23 -7.790 0.473 6.177 175 1HG1 ILE 23 1HG1 ILE 23 -6.876 0.108 3.811 176 2HG1 ILE 23 2HG1 ILE 23 -8.557 -0.287 4.110 177 1HG2 ILE 23 1HG2 ILE 23 -9.028 2.421 6.706 178 2HG2 ILE 23 2HG2 ILE 23 -8.884 3.056 5.049 179 3HG2 ILE 23 3HG2 ILE 23 -9.892 1.624 5.369 180 1HD1 ILE 23 1HD1 ILE 23 -7.930 1.136 1.986 181 2HD1 ILE 23 2HD1 ILE 23 -9.358 1.598 2.943 182 3HD1 ILE 23 3HD1 ILE 23 -7.829 2.489 3.139 183 H SER 24 H SER 24 -5.825 1.533 8.009 184 HA SER 24 HA SER 24 -7.091 3.753 9.134 185 1HB SER 24 1HB SER 24 -5.244 1.584 10.096 186 2HB SER 24 2HB SER 24 -5.428 2.994 11.120 187 HG SER 24 HG SER 24 -7.134 1.865 11.825 188 H ALA 25 H ALA 25 -3.721 3.024 8.122 189 HA ALA 25 HA ALA 25 -2.458 5.155 9.376 190 1HB ALA 25 1HB ALA 25 -0.704 4.771 7.654 191 2HB ALA 25 2HB ALA 25 -1.282 3.251 8.377 192 3HB ALA 25 3HB ALA 25 -1.836 3.732 6.756 193 H MET 26 H MET 26 -3.487 4.919 5.890 194 HA MET 26 HA MET 26 -2.967 7.485 5.227 195 1HB MET 26 1HB MET 26 -5.182 5.566 4.344 196 2HB MET 26 2HB MET 26 -4.930 7.102 3.539 197 1HG MET 26 1HG MET 26 -2.571 6.452 3.021 198 2HG MET 26 2HG MET 26 -2.806 4.923 3.844 199 1HE MET 26 1HE MET 26 -1.794 4.596 0.969 200 2HE MET 26 2HE MET 26 -2.332 3.326 2.093 201 3HE MET 26 3HE MET 26 -2.941 3.350 0.420 202 H GLU 27 H GLU 27 -5.939 6.154 6.781 203 HA GLU 27 HA GLU 27 -7.569 8.295 6.537 204 1HB GLU 27 1HB GLU 27 -7.275 6.050 8.473 205 2HB GLU 27 2HB GLU 27 -8.204 7.412 9.066 206 1HG GLU 27 1HG GLU 27 -9.654 7.312 7.028 207 2HG GLU 27 2HG GLU 27 -8.722 5.954 6.430 208 H GLU 28 H GLU 28 -5.031 7.710 9.051 209 HA GLU 28 HA GLU 28 -5.683 10.149 10.361 210 1HB GLU 28 1HB GLU 28 -4.884 8.241 11.666 211 2HB GLU 28 2HB GLU 28 -3.406 8.156 10.729 212 1HG GLU 28 1HG GLU 28 -2.469 10.028 11.759 213 2HG GLU 28 2HG GLU 28 -4.022 10.788 12.045 214 H LYS 29 H LYS 29 -2.921 8.893 8.371 215 HA LYS 29 HA LYS 29 -1.285 11.078 8.522 216 1HB LYS 29 1HB LYS 29 -0.610 8.965 7.539 217 2HB LYS 29 2HB LYS 29 -1.748 9.160 6.221 218 1HG LYS 29 1HG LYS 29 0.101 11.466 6.587 219 2HG LYS 29 2HG LYS 29 0.900 9.967 6.153 220 1HD LYS 29 1HD LYS 29 -0.216 9.802 4.084 221 2HD LYS 29 2HD LYS 29 -1.576 10.771 4.617 222 1HE LYS 29 1HE LYS 29 -0.297 12.144 3.091 223 2HE LYS 29 2HE LYS 29 -0.025 12.789 4.697 224 1HZ LYS 29 1HZ LYS 29 2.073 11.868 4.769 225 2HZ LYS 29 2HZ LYS 29 1.787 10.791 3.575 226 3HZ LYS 29 3HZ LYS 29 1.967 12.375 3.220 227 H PHE 30 H PHE 30 -3.621 10.420 5.809 228 HA PHE 30 HA PHE 30 -3.367 13.091 4.883 229 1HB PHE 30 1HB PHE 30 -5.217 10.698 4.363 230 2HB PHE 30 2HB PHE 30 -5.416 12.200 3.482 231 HD1 PHE 30 1HD PHE 30 -3.417 13.051 2.123 232 HD2 PHE 30 2HD PHE 30 -3.668 9.097 3.643 233 HE1 PHE 30 1HE PHE 30 -1.698 12.302 0.456 234 HE2 PHE 30 2HE PHE 30 -1.948 8.347 1.976 235 HZ PHE 30 HZ PHE 30 -0.984 9.958 0.402 236 H GLY 31 H GLY 31 -4.982 11.783 7.549 237 1HA GLY 31 1HA GLY 31 -6.686 12.465 8.851 238 2HA GLY 31 2HA GLY 31 -6.277 14.080 8.309 239 H VAL 32 H VAL 32 -7.816 11.134 6.814 240 HA VAL 32 HA VAL 32 -10.123 12.816 6.182 241 HB VAL 32 HB VAL 32 -8.505 11.131 4.274 242 1HG1 VAL 32 1HG1 VAL 32 -10.599 10.432 3.615 243 2HG1 VAL 32 2HG1 VAL 32 -11.394 11.927 4.164 244 3HG1 VAL 32 3HG1 VAL 32 -10.443 11.925 2.659 245 1HG2 VAL 32 1HG2 VAL 32 -9.517 13.935 3.818 246 2HG2 VAL 32 2HG2 VAL 32 -8.031 13.638 4.752 247 3HG2 VAL 32 3HG2 VAL 32 -8.143 13.093 3.061 248 H SER 33 H SER 33 -10.841 11.650 8.192 249 HA SER 33 HA SER 33 -11.682 8.954 7.460 250 1HB SER 33 1HB SER 33 -11.605 8.384 9.877 251 2HB SER 33 2HB SER 33 -10.031 8.857 9.269 252 HG SER 33 HG SER 33 -11.544 11.005 10.258 253 H ALA 34 H ALA 34 -13.534 10.285 6.479 254 HA ALA 34 HA ALA 34 -15.790 10.076 8.054 255 1HB ALA 34 1HB ALA 34 -15.274 11.886 9.427 256 2HB ALA 34 2HB ALA 34 -14.436 12.768 8.127 257 3HB ALA 34 3HB ALA 34 -16.214 12.679 8.140 258 H ALA 35 H ALA 35 -16.613 9.140 6.167 259 HA ALA 35 HA ALA 35 -17.645 10.971 4.257 260 1HB ALA 35 1HB ALA 35 -16.117 10.839 2.614 261 2HB ALA 35 2HB ALA 35 -15.034 10.005 3.754 262 3HB ALA 35 3HB ALA 35 -16.113 9.062 2.699 263 H ALA 36 H ALA 36 -19.458 9.850 5.417 264 HA ALA 36 HA ALA 36 -19.984 7.215 5.482 265 1HB ALA 36 1HB ALA 36 -21.544 8.727 6.427 266 2HB ALA 36 2HB ALA 36 -21.750 9.607 4.894 267 3HB ALA 36 3HB ALA 36 -22.422 7.969 5.077 268 H ALA 37 H ALA 37 -20.344 5.554 4.066 269 HA ALA 37 HA ALA 37 -20.462 4.457 2.148 270 1HB ALA 37 1HB ALA 37 -21.907 5.546 0.334 271 2HB ALA 37 2HB ALA 37 -22.673 5.324 1.926 272 3HB ALA 37 3HB ALA 37 -22.076 6.930 1.441 273 1H SER 1 H SER 1 10.020 -4.242 -1.611 274 HA SER 1 HA SER 1 9.916 -4.414 1.266 275 1HB SER 1 1HB SER 1 11.220 -2.160 -0.285 276 2HB SER 1 2HB SER 1 10.474 -1.841 1.268 277 HG SER 1 HG SER 1 11.887 -3.880 1.896 278 H ILE 2 H ILE 2 7.663 -4.989 0.492 279 HA ILE 2 HA ILE 2 6.190 -2.641 -0.447 280 HB ILE 2 HB ILE 2 5.227 -5.493 -0.303 281 1HG1 ILE 2 1HG1 ILE 2 6.588 -4.107 -2.633 282 2HG1 ILE 2 2HG1 ILE 2 7.276 -5.398 -1.668 283 1HG2 ILE 2 1HG2 ILE 2 3.822 -4.476 -2.281 284 2HG2 ILE 2 2HG2 ILE 2 3.340 -4.220 -0.587 285 3HG2 ILE 2 3HG2 ILE 2 4.199 -2.936 -1.472 286 1HD1 ILE 2 1HD1 ILE 2 5.168 -5.518 -3.773 287 2HD1 ILE 2 2HD1 ILE 2 6.378 -6.736 -3.303 288 3HD1 ILE 2 3HD1 ILE 2 4.886 -6.550 -2.351 289 H THR 3 H THR 3 6.862 -2.003 1.972 290 HA THR 3 HA THR 3 5.154 -3.206 3.959 291 HB THR 3 HB THR 3 6.282 -1.429 5.391 292 HG1 THR 3 1HG THR 3 7.442 0.108 4.249 293 1HG2 THR 3 1HG2 THR 3 8.062 -2.848 5.586 294 2HG2 THR 3 2HG2 THR 3 7.532 -3.664 4.096 295 3HG2 THR 3 3HG2 THR 3 8.685 -2.311 4.007 296 H LYS 4 H LYS 4 3.623 -1.954 5.281 297 HA LYS 4 HA LYS 4 1.676 -0.790 3.698 298 1HB LYS 4 1HB LYS 4 2.189 -1.127 6.603 299 2HB LYS 4 2HB LYS 4 1.063 0.143 6.169 300 1HG LYS 4 1HG LYS 4 -0.323 -1.768 6.362 301 2HG LYS 4 2HG LYS 4 -0.079 -1.622 4.633 302 1HD LYS 4 1HD LYS 4 2.087 -3.197 5.766 303 2HD LYS 4 2HD LYS 4 0.556 -3.855 6.310 304 1HE LYS 4 1HE LYS 4 1.072 -3.179 3.382 305 2HE LYS 4 2HE LYS 4 1.481 -4.743 4.059 306 1HZ LYS 4 1HZ LYS 4 -0.701 -5.242 4.393 307 2HZ LYS 4 2HZ LYS 4 -1.195 -3.688 4.490 308 3HZ LYS 4 3HZ LYS 4 -0.828 -4.339 3.038 309 H ASP 5 H ASP 5 4.361 0.669 5.599 310 HA ASP 5 HA ASP 5 3.480 3.268 5.429 311 1HB ASP 5 1HB ASP 5 6.173 1.935 5.760 312 2HB ASP 5 2HB ASP 5 6.134 3.669 5.504 313 H GLN 6 H GLN 6 5.464 1.201 3.238 314 HA GLN 6 HA GLN 6 6.383 3.192 1.574 315 1HB GLN 6 1HB GLN 6 6.003 0.226 1.388 316 2HB GLN 6 2HB GLN 6 6.233 1.074 -0.128 317 1HG GLN 6 1HG GLN 6 8.085 1.582 2.229 318 2HG GLN 6 2HG GLN 6 8.348 0.215 1.165 319 1HE2 GLN 6 1HE2 GLN 6 10.341 1.160 0.587 320 2HE2 GLN 6 2HE2 GLN 6 10.444 2.433 -0.583 321 H ILE 7 H ILE 7 3.204 1.702 1.885 322 HA ILE 7 HA ILE 7 2.340 2.495 -0.734 323 HB ILE 7 HB ILE 7 0.777 1.481 1.643 324 1HG1 ILE 7 1HG1 ILE 7 2.384 -0.184 1.116 325 2HG1 ILE 7 2HG1 ILE 7 0.867 -0.704 0.410 326 1HG2 ILE 7 1HG2 ILE 7 -0.496 0.750 -0.730 327 2HG2 ILE 7 2HG2 ILE 7 -1.015 1.993 0.433 328 3HG2 ILE 7 3HG2 ILE 7 -0.022 2.448 -0.972 329 1HD1 ILE 7 1HD1 ILE 7 1.679 0.460 -1.773 330 2HD1 ILE 7 2HD1 ILE 7 3.282 0.483 -0.999 331 3HD1 ILE 7 3HD1 ILE 7 2.467 -1.068 -1.312 332 H ILE 8 H ILE 8 2.351 3.792 2.577 333 HA ILE 8 HA ILE 8 0.359 5.705 2.261 334 HB ILE 8 HB ILE 8 2.837 5.668 3.984 335 1HG1 ILE 8 1HG1 ILE 8 1.151 3.798 4.234 336 2HG1 ILE 8 2HG1 ILE 8 1.499 4.724 5.681 337 1HG2 ILE 8 1HG2 ILE 8 2.249 7.924 3.973 338 2HG2 ILE 8 2HG2 ILE 8 0.506 7.574 3.895 339 3HG2 ILE 8 3HG2 ILE 8 1.407 7.277 5.401 340 1HD1 ILE 8 1HD1 ILE 8 -1.022 4.200 4.910 341 2HD1 ILE 8 2HD1 ILE 8 -0.597 5.722 5.729 342 3HD1 ILE 8 3HD1 ILE 8 -0.771 5.683 3.958 343 H GLU 9 H GLU 9 3.923 5.862 1.638 344 HA GLU 9 HA GLU 9 3.795 8.549 0.843 345 1HB GLU 9 1HB GLU 9 5.872 6.353 0.573 346 2HB GLU 9 2HB GLU 9 6.131 7.923 -0.162 347 1HG GLU 9 1HG GLU 9 5.283 7.804 2.739 348 2HG GLU 9 2HG GLU 9 6.946 7.427 2.334 349 H ALA 10 H ALA 10 2.826 5.615 -0.664 350 HA ALA 10 HA ALA 10 3.455 6.379 -3.350 351 1HB ALA 10 1HB ALA 10 1.487 4.270 -2.399 352 2HB ALA 10 2HB ALA 10 2.384 4.324 -3.936 353 3HB ALA 10 3HB ALA 10 3.248 4.011 -2.412 354 H VAL 11 H VAL 11 0.546 6.363 -1.204 355 HA VAL 11 HA VAL 11 -1.155 7.336 -3.267 356 HB VAL 11 HB VAL 11 -1.375 6.938 -0.293 357 1HG1 VAL 11 1HG1 VAL 11 -3.288 8.363 -2.137 358 2HG1 VAL 11 2HG1 VAL 11 -3.887 7.449 -0.732 359 3HG1 VAL 11 3HG1 VAL 11 -2.759 8.805 -0.496 360 1HG2 VAL 11 1HG2 VAL 11 -2.662 5.634 -2.711 361 2HG2 VAL 11 2HG2 VAL 11 -1.490 4.913 -1.582 362 3HG2 VAL 11 3HG2 VAL 11 -3.136 5.305 -1.027 363 H ALA 12 H ALA 12 1.242 8.739 -1.203 364 HA ALA 12 HA ALA 12 0.011 11.365 -1.273 365 1HB ALA 12 1HB ALA 12 2.148 11.965 -0.035 366 2HB ALA 12 2HB ALA 12 1.115 10.762 0.774 367 3HB ALA 12 3HB ALA 12 2.578 10.239 -0.096 368 H ALA 13 H ALA 13 1.803 9.358 -3.348 369 HA ALA 13 HA ALA 13 3.202 11.634 -4.552 370 1HB ALA 13 1HB ALA 13 3.541 8.677 -5.159 371 2HB ALA 13 2HB ALA 13 4.648 10.013 -5.557 372 3HB ALA 13 3HB ALA 13 4.435 9.507 -3.863 373 H MET 14 H MET 14 0.578 9.302 -4.931 374 HA MET 14 HA MET 14 0.372 9.806 -7.742 375 1HB MET 14 1HB MET 14 -1.426 8.313 -5.751 376 2HB MET 14 2HB MET 14 -1.679 8.312 -7.485 377 1HG MET 14 1HG MET 14 0.118 6.899 -7.894 378 2HG MET 14 2HG MET 14 1.076 7.555 -6.581 379 1HE MET 14 1HE MET 14 -2.222 4.866 -7.012 380 2HE MET 14 2HE MET 14 -0.771 5.057 -8.025 381 3HE MET 14 3HE MET 14 -0.850 3.749 -6.820 382 H SER 15 H SER 15 -1.977 10.357 -8.594 383 HA SER 15 HA SER 15 -2.591 12.881 -7.432 384 1HB SER 15 1HB SER 15 -4.494 12.537 -9.367 385 2HB SER 15 2HB SER 15 -2.882 13.151 -9.678 386 HG SER 15 HG SER 15 -3.919 11.070 -10.838 387 H VAL 16 H VAL 16 -4.967 13.502 -7.010 388 HA VAL 16 HA VAL 16 -6.007 11.813 -5.045 389 HB VAL 16 HB VAL 16 -7.213 14.131 -6.568 390 1HG1 VAL 16 1HG1 VAL 16 -8.214 12.564 -4.190 391 2HG1 VAL 16 2HG1 VAL 16 -8.658 14.272 -4.425 392 3HG1 VAL 16 3HG1 VAL 16 -9.087 13.063 -5.659 393 1HG2 VAL 16 1HG2 VAL 16 -5.675 13.922 -3.968 394 2HG2 VAL 16 2HG2 VAL 16 -5.285 14.888 -5.411 395 3HG2 VAL 16 3HG2 VAL 16 -6.672 15.335 -4.389 396 H MET 17 H MET 17 -6.948 12.403 -8.487 397 HA MET 17 HA MET 17 -9.187 10.784 -8.432 398 1HB MET 17 1HB MET 17 -7.296 11.884 -10.517 399 2HB MET 17 2HB MET 17 -8.368 10.599 -11.036 400 1HG MET 17 1HG MET 17 -10.294 11.992 -9.976 401 2HG MET 17 2HG MET 17 -9.144 13.311 -9.883 402 1HE MET 17 1HE MET 17 -11.298 11.097 -11.657 403 2HE MET 17 2HE MET 17 -12.049 12.572 -12.311 404 3HE MET 17 3HE MET 17 -11.207 11.443 -13.400 405 H ASP 18 H ASP 18 -5.744 10.058 -9.286 406 HA ASP 18 HA ASP 18 -6.129 7.521 -10.202 407 1HB ASP 18 1HB ASP 18 -3.984 8.862 -10.234 408 2HB ASP 18 2HB ASP 18 -3.789 8.540 -8.522 409 H VAL 19 H VAL 19 -6.016 8.857 -6.891 410 HA VAL 19 HA VAL 19 -5.697 6.302 -5.634 411 HB VAL 19 HB VAL 19 -6.295 9.091 -4.647 412 1HG1 VAL 19 1HG1 VAL 19 -7.360 7.584 -3.092 413 2HG1 VAL 19 2HG1 VAL 19 -5.918 6.541 -3.045 414 3HG1 VAL 19 3HG1 VAL 19 -5.852 8.182 -2.359 415 1HG2 VAL 19 1HG2 VAL 19 -3.979 8.320 -5.597 416 2HG2 VAL 19 2HG2 VAL 19 -4.052 9.252 -4.082 417 3HG2 VAL 19 3HG2 VAL 19 -3.826 7.487 -4.031 418 H VAL 20 H VAL 20 -8.366 8.624 -6.324 419 HA VAL 20 HA VAL 20 -10.338 7.392 -4.839 420 HB VAL 20 HB VAL 20 -10.270 9.084 -7.310 421 1HG1 VAL 20 1HG1 VAL 20 -12.829 9.230 -7.020 422 2HG1 VAL 20 2HG1 VAL 20 -12.162 7.808 -7.858 423 3HG1 VAL 20 3HG1 VAL 20 -12.683 7.678 -6.161 424 1HG2 VAL 20 1HG2 VAL 20 -11.374 9.494 -4.510 425 2HG2 VAL 20 2HG2 VAL 20 -9.857 10.161 -5.162 426 3HG2 VAL 20 3HG2 VAL 20 -11.421 10.693 -5.825 427 H GLU 21 H GLU 21 -9.183 6.734 -8.199 428 HA GLU 21 HA GLU 21 -11.108 4.853 -8.795 429 1HB GLU 21 1HB GLU 21 -8.339 5.477 -9.806 430 2HB GLU 21 2HB GLU 21 -9.091 3.985 -10.336 431 1HG GLU 21 1HG GLU 21 -10.529 6.667 -10.508 432 2HG GLU 21 2HG GLU 21 -9.494 6.085 -11.796 433 H LEU 22 H LEU 22 -7.788 4.470 -7.385 434 HA LEU 22 HA LEU 22 -7.766 1.720 -7.231 435 1HB LEU 22 1HB LEU 22 -5.861 3.249 -6.865 436 2HB LEU 22 2HB LEU 22 -6.541 3.713 -5.319 437 HG LEU 22 HG LEU 22 -6.446 1.059 -4.925 438 1HD1 LEU 22 1HD1 LEU 22 -5.515 0.142 -6.785 439 2HD1 LEU 22 2HD1 LEU 22 -4.577 1.603 -7.180 440 3HD1 LEU 22 3HD1 LEU 22 -4.023 0.513 -5.886 441 1HD2 LEU 22 1HD2 LEU 22 -5.483 2.579 -3.383 442 2HD2 LEU 22 2HD2 LEU 22 -4.189 1.452 -3.858 443 3HD2 LEU 22 3HD2 LEU 22 -4.240 3.092 -4.550 444 H ILE 23 H ILE 23 -8.618 4.017 -4.539 445 HA ILE 23 HA ILE 23 -9.459 2.140 -2.756 446 HB ILE 23 HB ILE 23 -10.411 4.959 -3.243 447 1HG1 ILE 23 1HG1 ILE 23 -8.090 4.907 -2.709 448 2HG1 ILE 23 2HG1 ILE 23 -8.946 5.424 -1.270 449 1HG2 ILE 23 1HG2 ILE 23 -12.179 3.904 -2.038 450 2HG2 ILE 23 2HG2 ILE 23 -11.034 3.093 -0.943 451 3HG2 ILE 23 3HG2 ILE 23 -11.230 4.861 -0.875 452 1HD1 ILE 23 1HD1 ILE 23 -7.468 3.815 -0.406 453 2HD1 ILE 23 2HD1 ILE 23 -8.947 2.855 -0.650 454 3HD1 ILE 23 3HD1 ILE 23 -7.621 2.763 -1.834 455 H SER 24 H SER 24 -11.369 3.721 -5.389 456 HA SER 24 HA SER 24 -13.796 2.685 -4.647 457 1HB SER 24 1HB SER 24 -12.605 3.731 -7.201 458 2HB SER 24 2HB SER 24 -14.132 2.882 -7.322 459 HG SER 24 HG SER 24 -14.695 5.012 -6.968 460 H ALA 25 H ALA 25 -11.138 1.307 -6.634 461 HA ALA 25 HA ALA 25 -12.528 -0.846 -7.710 462 1HB ALA 25 1HB ALA 25 -10.518 -1.119 -8.674 463 2HB ALA 25 2HB ALA 25 -9.878 0.176 -7.633 464 3HB ALA 25 3HB ALA 25 -9.783 -1.521 -7.104 465 H MET 26 H MET 26 -10.350 -0.771 -4.793 466 HA MET 26 HA MET 26 -10.844 -3.322 -3.989 467 1HB MET 26 1HB MET 26 -10.262 -0.751 -2.430 468 2HB MET 26 2HB MET 26 -10.293 -2.315 -1.638 469 1HG MET 26 1HG MET 26 -8.531 -3.136 -3.248 470 2HG MET 26 2HG MET 26 -8.473 -1.541 -3.971 471 1HE MET 26 1HE MET 26 -5.734 -2.307 -3.135 472 2HE MET 26 2HE MET 26 -6.263 -0.669 -3.590 473 3HE MET 26 3HE MET 26 -5.266 -0.910 -2.136 474 H GLU 27 H GLU 27 -12.700 -0.313 -3.259 475 HA GLU 27 HA GLU 27 -14.289 -1.263 -1.282 476 1HB GLU 27 1HB GLU 27 -14.575 0.835 -3.405 477 2HB GLU 27 2HB GLU 27 -16.035 0.386 -2.546 478 1HG GLU 27 1HG GLU 27 -14.464 0.644 -0.392 479 2HG GLU 27 2HG GLU 27 -13.509 1.646 -1.467 480 H GLU 28 H GLU 28 -14.692 -1.604 -4.854 481 HA GLU 28 HA GLU 28 -17.201 -2.911 -4.502 482 1HB GLU 28 1HB GLU 28 -16.412 -1.397 -6.483 483 2HB GLU 28 2HB GLU 28 -15.593 -2.829 -7.076 484 1HG GLU 28 1HG GLU 28 -17.990 -3.966 -6.625 485 2HG GLU 28 2HG GLU 28 -18.553 -2.314 -6.789 486 H LYS 29 H LYS 29 -13.802 -3.799 -5.281 487 HA LYS 29 HA LYS 29 -14.293 -6.434 -6.028 488 1HB LYS 29 1HB LYS 29 -12.207 -5.331 -6.529 489 2HB LYS 29 2HB LYS 29 -11.852 -5.097 -4.829 490 1HG LYS 29 1HG LYS 29 -10.603 -7.022 -5.244 491 2HG LYS 29 2HG LYS 29 -12.105 -7.743 -4.700 492 1HD LYS 29 1HD LYS 29 -12.763 -8.364 -6.883 493 2HD LYS 29 2HD LYS 29 -11.765 -7.143 -7.646 494 1HE LYS 29 1HE LYS 29 -9.942 -8.519 -7.727 495 2HE LYS 29 2HE LYS 29 -10.155 -9.046 -6.069 496 1HZ LYS 29 1HZ LYS 29 -11.638 -10.675 -6.727 497 2HZ LYS 29 2HZ LYS 29 -11.927 -10.007 -8.188 498 3HZ LYS 29 3HZ LYS 29 -10.494 -10.732 -7.891 499 H PHE 30 H PHE 30 -13.003 -5.246 -2.839 500 HA PHE 30 HA PHE 30 -13.614 -7.741 -1.618 501 1HB PHE 30 1HB PHE 30 -12.832 -4.934 -0.635 502 2HB PHE 30 2HB PHE 30 -12.952 -6.305 0.449 503 HD1 PHE 30 1HD PHE 30 -11.331 -8.152 0.300 504 HD2 PHE 30 2HD PHE 30 -10.966 -4.697 -2.137 505 HE1 PHE 30 1HE PHE 30 -8.952 -8.766 -0.214 506 HE2 PHE 30 2HE PHE 30 -8.587 -5.310 -2.650 507 HZ PHE 30 HZ PHE 30 -7.608 -7.337 -1.683 508 H GLY 31 H GLY 31 -15.600 -5.227 -2.621 509 1HA GLY 31 1HA GLY 31 -17.642 -4.481 -2.024 510 2HA GLY 31 2HA GLY 31 -17.919 -6.140 -1.531 511 H VAL 32 H VAL 32 -15.902 -3.396 -0.236 512 HA VAL 32 HA VAL 32 -17.186 -3.896 2.361 513 HB VAL 32 HB VAL 32 -14.790 -4.486 2.227 514 1HG1 VAL 32 1HG1 VAL 32 -13.635 -1.866 2.292 515 2HG1 VAL 32 2HG1 VAL 32 -13.320 -3.199 1.155 516 3HG1 VAL 32 3HG1 VAL 32 -14.608 -2.020 0.809 517 1HG2 VAL 32 1HG2 VAL 32 -15.535 -2.141 4.004 518 2HG2 VAL 32 2HG2 VAL 32 -15.680 -3.876 4.376 519 3HG2 VAL 32 3HG2 VAL 32 -14.071 -3.131 4.215 520 H SER 33 H SER 33 -18.824 -2.437 0.999 521 HA SER 33 HA SER 33 -18.410 0.191 2.058 522 1HB SER 33 1HB SER 33 -19.015 1.263 -0.179 523 2HB SER 33 2HB SER 33 -17.399 0.593 -0.074 524 HG SER 33 HG SER 33 -19.549 -1.030 -1.071 525 H ALA 34 H ALA 34 -20.487 1.520 1.862 526 HA ALA 34 HA ALA 34 -22.675 1.730 2.112 527 1HB ALA 34 1HB ALA 34 -22.531 -0.454 0.028 528 2HB ALA 34 2HB ALA 34 -24.104 0.076 0.673 529 3HB ALA 34 3HB ALA 34 -23.041 1.242 -0.151 530 H ALA 35 H ALA 35 -22.762 1.288 4.338 531 HA ALA 35 HA ALA 35 -24.240 -1.010 5.052 532 1HB ALA 35 1HB ALA 35 -21.586 -1.601 4.787 533 2HB ALA 35 2HB ALA 35 -21.641 -1.084 6.490 534 3HB ALA 35 3HB ALA 35 -22.680 -2.418 5.930 535 H ALA 36 H ALA 36 -25.488 0.936 5.680 536 HA ALA 36 HA ALA 36 -24.745 2.927 7.323 537 1HB ALA 36 1HB ALA 36 -27.259 1.310 6.998 538 2HB ALA 36 2HB ALA 36 -27.177 2.507 8.312 539 3HB ALA 36 3HB ALA 36 -26.952 3.023 6.624 540 H ALA 37 H ALA 37 -24.496 3.287 9.570 541 HA ALA 37 HA ALA 37 -23.306 1.188 10.982 542 1HB ALA 37 1HB ALA 37 -24.407 3.893 11.837 543 2HB ALA 37 2HB ALA 37 -23.440 2.834 12.890 544 3HB ALA 37 3HB ALA 37 -22.727 3.499 11.401 Start of MODEL 3 1 1H SER 1 H SER 1 5.123 -2.809 -15.057 2 HA SER 1 HA SER 1 2.930 -2.611 -14.886 3 1HB SER 1 1HB SER 1 1.857 -4.713 -14.152 4 2HB SER 1 2HB SER 1 3.307 -5.039 -15.082 5 HG SER 1 HG SER 1 4.072 -6.112 -13.406 6 H ILE 2 H ILE 2 3.185 -0.649 -13.401 7 HA ILE 2 HA ILE 2 2.308 -1.271 -10.674 8 HB ILE 2 HB ILE 2 3.425 1.332 -11.704 9 1HG1 ILE 2 1HG1 ILE 2 4.904 -1.031 -10.514 10 2HG1 ILE 2 2HG1 ILE 2 5.100 -0.365 -12.123 11 1HG2 ILE 2 1HG2 ILE 2 3.366 0.262 -8.878 12 2HG2 ILE 2 2HG2 ILE 2 3.721 1.916 -9.431 13 3HG2 ILE 2 3HG2 ILE 2 2.069 1.269 -9.567 14 1HD1 ILE 2 1HD1 ILE 2 5.823 0.938 -9.470 15 2HD1 ILE 2 2HD1 ILE 2 6.901 0.542 -10.830 16 3HD1 ILE 2 3HD1 ILE 2 5.721 1.866 -10.985 17 H THR 3 H THR 3 0.224 -1.784 -12.093 18 HA THR 3 HA THR 3 -1.241 0.693 -12.620 19 HB THR 3 HB THR 3 -2.862 -0.990 -13.672 20 HG1 THR 3 1HG THR 3 -2.050 -3.170 -13.688 21 1HG2 THR 3 1HG2 THR 3 -1.086 0.037 -15.112 22 2HG2 THR 3 2HG2 THR 3 0.057 -1.218 -14.578 23 3HG2 THR 3 3HG2 THR 3 -1.364 -1.666 -15.551 24 H LYS 4 H LYS 4 -3.494 0.893 -11.855 25 HA LYS 4 HA LYS 4 -3.577 0.704 -9.095 26 1HB LYS 4 1HB LYS 4 -5.568 1.292 -11.256 27 2HB LYS 4 2HB LYS 4 -6.155 1.026 -9.627 28 1HG LYS 4 1HG LYS 4 -5.464 3.086 -8.977 29 2HG LYS 4 2HG LYS 4 -3.826 2.754 -9.505 30 1HD LYS 4 1HD LYS 4 -4.424 4.583 -10.864 31 2HD LYS 4 2HD LYS 4 -4.729 3.221 -11.923 32 1HE LYS 4 1HE LYS 4 -6.995 4.122 -10.155 33 2HE LYS 4 2HE LYS 4 -6.569 5.159 -11.501 34 1HZ LYS 4 1HZ LYS 4 -6.594 2.828 -12.704 35 2HZ LYS 4 2HZ LYS 4 -7.687 2.508 -11.534 36 3HZ LYS 4 3HZ LYS 4 -7.930 3.755 -12.560 37 H ASP 5 H ASP 5 -4.942 -1.453 -11.648 38 HA ASP 5 HA ASP 5 -6.379 -3.059 -9.953 39 1HB ASP 5 1HB ASP 5 -5.078 -3.417 -12.654 40 2HB ASP 5 2HB ASP 5 -5.720 -4.841 -11.860 41 H GLN 6 H GLN 6 -2.949 -3.198 -11.106 42 HA GLN 6 HA GLN 6 -2.322 -5.678 -10.120 43 1HB GLN 6 1HB GLN 6 -0.798 -3.217 -10.884 44 2HB GLN 6 2HB GLN 6 0.069 -4.390 -9.913 45 1HG GLN 6 1HG GLN 6 -1.462 -5.149 -12.441 46 2HG GLN 6 2HG GLN 6 0.233 -4.704 -12.456 47 1HE2 GLN 6 1HE2 GLN 6 -0.443 -7.115 -13.378 48 2HE2 GLN 6 2HE2 GLN 6 0.030 -8.389 -12.304 49 H ILE 7 H ILE 7 -2.810 -2.606 -8.464 50 HA ILE 7 HA ILE 7 -1.327 -3.360 -6.133 51 HB ILE 7 HB ILE 7 -3.174 -1.076 -6.806 52 1HG1 ILE 7 1HG1 ILE 7 -0.197 -1.080 -6.251 53 2HG1 ILE 7 2HG1 ILE 7 -0.878 -1.226 -7.859 54 1HG2 ILE 7 1HG2 ILE 7 -1.886 -1.807 -4.186 55 2HG2 ILE 7 2HG2 ILE 7 -2.196 -0.108 -4.618 56 3HG2 ILE 7 3HG2 ILE 7 -3.547 -1.262 -4.518 57 1HD1 ILE 7 1HD1 ILE 7 -0.661 1.075 -7.783 58 2HD1 ILE 7 2HD1 ILE 7 -2.277 0.941 -7.049 59 3HD1 ILE 7 3HD1 ILE 7 -0.843 1.139 -6.013 60 H ILE 8 H ILE 8 -4.687 -3.546 -7.315 61 HA ILE 8 HA ILE 8 -5.947 -4.067 -4.905 62 HB ILE 8 HB ILE 8 -6.546 -5.050 -7.696 63 1HG1 ILE 8 1HG1 ILE 8 -7.527 -2.639 -6.140 64 2HG1 ILE 8 2HG1 ILE 8 -6.462 -2.619 -7.532 65 1HG2 ILE 8 1HG2 ILE 8 -8.749 -5.589 -6.976 66 2HG2 ILE 8 2HG2 ILE 8 -7.619 -6.398 -5.864 67 3HG2 ILE 8 3HG2 ILE 8 -8.458 -4.912 -5.355 68 1HD1 ILE 8 1HD1 ILE 8 -8.470 -2.255 -8.623 69 2HD1 ILE 8 2HD1 ILE 8 -8.487 -4.035 -8.627 70 3HD1 ILE 8 3HD1 ILE 8 -9.415 -3.140 -7.401 71 H GLU 9 H GLU 9 -4.290 -6.296 -7.223 72 HA GLU 9 HA GLU 9 -4.953 -8.593 -5.806 73 1HB GLU 9 1HB GLU 9 -2.773 -7.939 -7.818 74 2HB GLU 9 2HB GLU 9 -2.917 -9.541 -7.121 75 1HG GLU 9 1HG GLU 9 -5.281 -9.681 -7.926 76 2HG GLU 9 2HG GLU 9 -5.145 -8.076 -8.614 77 H ALA 10 H ALA 10 -2.765 -6.022 -5.098 78 HA ALA 10 HA ALA 10 -0.862 -7.594 -3.649 79 1HB ALA 10 1HB ALA 10 -0.797 -5.150 -4.804 80 2HB ALA 10 2HB ALA 10 -1.189 -4.671 -3.135 81 3HB ALA 10 3HB ALA 10 0.282 -5.617 -3.467 82 H VAL 11 H VAL 11 -3.728 -5.527 -2.889 83 HA VAL 11 HA VAL 11 -3.478 -5.774 -0.103 84 HB VAL 11 HB VAL 11 -5.751 -5.103 -1.966 85 1HG1 VAL 11 1HG1 VAL 11 -7.096 -5.713 -0.241 86 2HG1 VAL 11 2HG1 VAL 11 -5.791 -5.597 0.964 87 3HG1 VAL 11 3HG1 VAL 11 -6.616 -4.124 0.400 88 1HG2 VAL 11 1HG2 VAL 11 -4.050 -3.419 -0.097 89 2HG2 VAL 11 2HG2 VAL 11 -3.938 -3.470 -1.873 90 3HG2 VAL 11 3HG2 VAL 11 -5.400 -2.820 -1.091 91 H ALA 12 H ALA 12 -4.702 -7.895 -2.646 92 HA ALA 12 HA ALA 12 -6.217 -9.505 -0.797 93 1HB ALA 12 1HB ALA 12 -6.661 -10.864 -2.809 94 2HB ALA 12 2HB ALA 12 -6.964 -9.139 -3.123 95 3HB ALA 12 3HB ALA 12 -5.474 -9.904 -3.724 96 H ALA 13 H ALA 13 -3.015 -8.982 -1.032 97 HA ALA 13 HA ALA 13 -2.250 -11.802 -1.000 98 1HB ALA 13 1HB ALA 13 -0.207 -11.103 -1.734 99 2HB ALA 13 2HB ALA 13 -1.112 -9.655 -2.234 100 3HB ALA 13 3HB ALA 13 -0.214 -9.655 -0.698 101 H MET 14 H MET 14 -2.741 -8.941 1.024 102 HA MET 14 HA MET 14 -1.431 -10.316 3.224 103 1HB MET 14 1HB MET 14 -2.470 -7.436 2.988 104 2HB MET 14 2HB MET 14 -1.532 -8.063 4.329 105 1HG MET 14 1HG MET 14 0.364 -7.501 3.215 106 2HG MET 14 2HG MET 14 -0.022 -8.710 2.006 107 1HE MET 14 1HE MET 14 0.139 -5.015 2.947 108 2HE MET 14 2HE MET 14 1.431 -5.655 1.903 109 3HE MET 14 3HE MET 14 0.339 -4.388 1.293 110 H SER 15 H SER 15 -2.583 -9.785 5.474 111 HA SER 15 HA SER 15 -5.161 -10.954 5.185 112 1HB SER 15 1HB SER 15 -4.936 -10.453 7.864 113 2HB SER 15 2HB SER 15 -4.274 -11.871 7.076 114 HG SER 15 HG SER 15 -2.946 -9.531 8.019 115 H VAL 16 H VAL 16 -7.037 -10.032 6.627 116 HA VAL 16 HA VAL 16 -7.727 -7.534 5.641 117 HB VAL 16 HB VAL 16 -8.750 -9.143 7.985 118 1HG1 VAL 16 1HG1 VAL 16 -9.625 -6.508 6.875 119 2HG1 VAL 16 2HG1 VAL 16 -10.880 -7.668 7.369 120 3HG1 VAL 16 3HG1 VAL 16 -9.664 -7.118 8.546 121 1HG2 VAL 16 1HG2 VAL 16 -10.544 -8.973 5.748 122 2HG2 VAL 16 2HG2 VAL 16 -8.944 -9.501 5.175 123 3HG2 VAL 16 3HG2 VAL 16 -9.772 -10.409 6.463 124 H MET 17 H MET 17 -6.281 -8.534 8.792 125 HA MET 17 HA MET 17 -6.468 -6.116 10.054 126 1HB MET 17 1HB MET 17 -4.670 -8.535 10.191 127 2HB MET 17 2HB MET 17 -4.104 -7.108 11.036 128 1HG MET 17 1HG MET 17 -5.560 -7.486 12.738 129 2HG MET 17 2HG MET 17 -6.918 -7.449 11.631 130 1HE MET 17 1HE MET 17 -6.979 -10.239 14.149 131 2HE MET 17 2HE MET 17 -7.660 -8.709 13.549 132 3HE MET 17 3HE MET 17 -8.260 -10.259 12.914 133 H ASP 18 H ASP 18 -3.891 -7.368 7.845 134 HA ASP 18 HA ASP 18 -2.102 -5.341 8.173 135 1HB ASP 18 1HB ASP 18 -1.765 -7.451 6.843 136 2HB ASP 18 2HB ASP 18 -2.808 -6.811 5.588 137 H VAL 19 H VAL 19 -5.147 -5.543 6.307 138 HA VAL 19 HA VAL 19 -4.621 -3.190 4.766 139 HB VAL 19 HB VAL 19 -7.138 -4.806 5.217 140 1HG1 VAL 19 1HG1 VAL 19 -8.250 -3.500 3.743 141 2HG1 VAL 19 2HG1 VAL 19 -7.049 -2.276 4.218 142 3HG1 VAL 19 3HG1 VAL 19 -6.810 -3.228 2.733 143 1HG2 VAL 19 1HG2 VAL 19 -4.988 -4.944 3.083 144 2HG2 VAL 19 2HG2 VAL 19 -5.480 -6.217 4.226 145 3HG2 VAL 19 3HG2 VAL 19 -6.586 -5.711 2.926 146 H VAL 20 H VAL 20 -6.269 -4.052 7.816 147 HA VAL 20 HA VAL 20 -7.708 -1.680 8.124 148 HB VAL 20 HB VAL 20 -6.646 -3.796 9.972 149 1HG1 VAL 20 1HG1 VAL 20 -8.058 -2.705 11.774 150 2HG1 VAL 20 2HG1 VAL 20 -6.540 -1.868 11.368 151 3HG1 VAL 20 3HG1 VAL 20 -8.091 -1.249 10.751 152 1HG2 VAL 20 1HG2 VAL 20 -8.576 -4.303 8.501 153 2HG2 VAL 20 2HG2 VAL 20 -9.000 -4.360 10.229 154 3HG2 VAL 20 3HG2 VAL 20 -9.472 -2.956 9.242 155 H GLU 21 H GLU 21 -4.391 -2.651 9.213 156 HA GLU 21 HA GLU 21 -3.867 -0.298 10.556 157 1HB GLU 21 1HB GLU 21 -2.203 -2.502 9.357 158 2HB GLU 21 2HB GLU 21 -1.378 -1.042 9.866 159 1HG GLU 21 1HG GLU 21 -3.329 -2.496 11.698 160 2HG GLU 21 2HG GLU 21 -1.636 -2.941 11.620 161 H LEU 22 H LEU 22 -3.148 -1.290 7.143 162 HA LEU 22 HA LEU 22 -1.780 0.978 6.382 163 1HB LEU 22 1HB LEU 22 -1.974 -1.137 5.122 164 2HB LEU 22 2HB LEU 22 -3.633 -0.738 4.724 165 HG LEU 22 HG LEU 22 -2.413 1.490 3.799 166 1HD1 LEU 22 1HD1 LEU 22 -0.263 1.266 3.146 167 2HD1 LEU 22 2HD1 LEU 22 -0.209 0.107 4.497 168 3HD1 LEU 22 3HD1 LEU 22 -0.420 -0.479 2.829 169 1HD2 LEU 22 1HD2 LEU 22 -3.973 0.191 2.519 170 2HD2 LEU 22 2HD2 LEU 22 -2.496 0.417 1.552 171 3HD2 LEU 22 3HD2 LEU 22 -2.805 -1.142 2.353 172 H ILE 23 H ILE 23 -5.307 0.292 5.803 173 HA ILE 23 HA ILE 23 -5.975 2.734 4.813 174 HB ILE 23 HB ILE 23 -7.494 0.720 6.444 175 1HG1 ILE 23 1HG1 ILE 23 -6.757 0.141 4.142 176 2HG1 ILE 23 2HG1 ILE 23 -8.497 0.127 4.351 177 1HG2 ILE 23 1HG2 ILE 23 -8.370 3.441 5.574 178 2HG2 ILE 23 2HG2 ILE 23 -9.523 2.091 5.447 179 3HG2 ILE 23 3HG2 ILE 23 -8.803 2.502 7.022 180 1HD1 ILE 23 1HD1 ILE 23 -7.769 2.799 3.593 181 2HD1 ILE 23 2HD1 ILE 23 -6.933 1.678 2.492 182 3HD1 ILE 23 3HD1 ILE 23 -8.704 1.609 2.656 183 H SER 24 H SER 24 -5.843 1.726 8.289 184 HA SER 24 HA SER 24 -6.874 4.053 9.300 185 1HB SER 24 1HB SER 24 -5.128 1.848 10.350 186 2HB SER 24 2HB SER 24 -5.229 3.306 11.318 187 HG SER 24 HG SER 24 -7.673 3.034 11.017 188 H ALA 25 H ALA 25 -3.537 3.183 8.306 189 HA ALA 25 HA ALA 25 -2.198 5.320 9.470 190 1HB ALA 25 1HB ALA 25 -0.459 4.273 8.497 191 2HB ALA 25 2HB ALA 25 -1.629 3.125 7.803 192 3HB ALA 25 3HB ALA 25 -1.125 4.555 6.870 193 H MET 26 H MET 26 -3.495 4.973 6.088 194 HA MET 26 HA MET 26 -2.833 7.464 5.233 195 1HB MET 26 1HB MET 26 -5.213 5.642 4.611 196 2HB MET 26 2HB MET 26 -4.934 7.118 3.708 197 1HG MET 26 1HG MET 26 -2.613 6.282 3.133 198 2HG MET 26 2HG MET 26 -2.980 4.779 3.957 199 1HE MET 26 1HE MET 26 -3.414 3.236 0.548 200 2HE MET 26 2HE MET 26 -2.101 4.040 1.441 201 3HE MET 26 3HE MET 26 -3.171 2.889 2.277 202 H GLU 27 H GLU 27 -5.803 6.404 7.000 203 HA GLU 27 HA GLU 27 -7.288 8.642 6.764 204 1HB GLU 27 1HB GLU 27 -7.005 6.509 8.849 205 2HB GLU 27 2HB GLU 27 -7.900 7.940 9.320 206 1HG GLU 27 1HG GLU 27 -9.254 7.662 7.142 207 2HG GLU 27 2HG GLU 27 -8.485 6.097 6.962 208 H GLU 28 H GLU 28 -4.597 8.002 9.085 209 HA GLU 28 HA GLU 28 -5.008 10.511 10.363 210 1HB GLU 28 1HB GLU 28 -4.194 8.599 11.659 211 2HB GLU 28 2HB GLU 28 -2.807 8.415 10.604 212 1HG GLU 28 1HG GLU 28 -1.697 10.262 11.492 213 2HG GLU 28 2HG GLU 28 -3.181 11.112 11.875 214 H LYS 29 H LYS 29 -2.657 9.067 8.035 215 HA LYS 29 HA LYS 29 -0.838 11.147 8.004 216 1HB LYS 29 1HB LYS 29 -0.340 8.997 7.037 217 2HB LYS 29 2HB LYS 29 -1.637 9.153 5.869 218 1HG LYS 29 1HG LYS 29 0.350 9.740 4.672 219 2HG LYS 29 2HG LYS 29 -0.451 11.264 4.998 220 1HD LYS 29 1HD LYS 29 1.167 11.963 6.499 221 2HD LYS 29 2HD LYS 29 1.454 10.347 7.114 222 1HE LYS 29 1HE LYS 29 2.421 9.982 4.609 223 2HE LYS 29 2HE LYS 29 2.666 11.714 4.721 224 1HZ LYS 29 1HZ LYS 29 3.879 11.351 6.764 225 2HZ LYS 29 2HZ LYS 29 3.650 9.737 6.660 226 3HZ LYS 29 3HZ LYS 29 4.556 10.507 5.541 227 H PHE 30 H PHE 30 -3.452 10.536 5.548 228 HA PHE 30 HA PHE 30 -3.169 13.174 4.532 229 1HB PHE 30 1HB PHE 30 -5.252 10.928 4.247 230 2HB PHE 30 2HB PHE 30 -5.282 12.376 3.261 231 HD1 PHE 30 1HD PHE 30 -3.561 9.216 3.894 232 HD2 PHE 30 2HD PHE 30 -3.624 12.728 1.514 233 HE1 PHE 30 1HE PHE 30 -2.011 8.128 2.247 234 HE2 PHE 30 2HE PHE 30 -2.074 11.640 -0.133 235 HZ PHE 30 HZ PHE 30 -1.285 9.353 0.254 236 H GLY 31 H GLY 31 -4.567 12.011 7.372 237 1HA GLY 31 1HA GLY 31 -6.087 12.818 8.821 238 2HA GLY 31 2HA GLY 31 -5.675 14.393 8.172 239 H VAL 32 H VAL 32 -7.535 11.454 7.082 240 HA VAL 32 HA VAL 32 -9.726 13.289 6.409 241 HB VAL 32 HB VAL 32 -8.648 10.949 4.831 242 1HG1 VAL 32 1HG1 VAL 32 -11.354 12.040 4.967 243 2HG1 VAL 32 2HG1 VAL 32 -10.671 12.127 3.326 244 3HG1 VAL 32 3HG1 VAL 32 -10.754 10.564 4.174 245 1HG2 VAL 32 1HG2 VAL 32 -7.639 13.346 4.686 246 2HG2 VAL 32 2HG2 VAL 32 -8.030 12.475 3.184 247 3HG2 VAL 32 3HG2 VAL 32 -9.128 13.736 3.792 248 H SER 33 H SER 33 -10.064 12.584 8.820 249 HA SER 33 HA SER 33 -11.530 10.063 8.742 250 1HB SER 33 1HB SER 33 -11.122 9.884 11.174 251 2HB SER 33 2HB SER 33 -9.612 9.977 10.289 252 HG SER 33 HG SER 33 -10.000 11.406 12.308 253 H ALA 34 H ALA 34 -13.667 10.622 8.398 254 HA ALA 34 HA ALA 34 -15.101 11.953 10.384 255 1HB ALA 34 1HB ALA 34 -14.736 14.114 9.861 256 2HB ALA 34 2HB ALA 34 -13.859 13.674 8.375 257 3HB ALA 34 3HB ALA 34 -15.634 13.813 8.354 258 H ALA 35 H ALA 35 -16.487 10.182 10.175 259 HA ALA 35 HA ALA 35 -18.401 10.371 8.093 260 1HB ALA 35 1HB ALA 35 -16.170 9.013 7.291 261 2HB ALA 35 2HB ALA 35 -17.127 7.689 7.998 262 3HB ALA 35 3HB ALA 35 -17.810 8.680 6.686 263 H ALA 36 H ALA 36 -19.879 10.513 9.812 264 HA ALA 36 HA ALA 36 -19.984 9.095 12.098 265 1HB ALA 36 1HB ALA 36 -21.709 10.587 11.983 266 2HB ALA 36 2HB ALA 36 -21.968 10.315 10.243 267 3HB ALA 36 3HB ALA 36 -22.620 9.161 11.431 268 H ALA 37 H ALA 37 -21.024 7.109 12.796 269 HA ALA 37 HA ALA 37 -21.360 4.925 12.685 270 1HB ALA 37 1HB ALA 37 -22.977 6.090 10.696 271 2HB ALA 37 2HB ALA 37 -22.228 4.676 9.916 272 3HB ALA 37 3HB ALA 37 -23.162 4.473 11.417 273 1H SER 1 H SER 1 11.646 -4.040 -0.101 274 HA SER 1 HA SER 1 11.273 -4.011 2.759 275 1HB SER 1 1HB SER 1 13.188 -2.432 2.193 276 2HB SER 1 2HB SER 1 12.060 -1.487 1.241 277 HG SER 1 HG SER 1 11.724 -2.081 4.058 278 H ILE 2 H ILE 2 9.193 -4.918 1.825 279 HA ILE 2 HA ILE 2 7.570 -2.866 0.520 280 HB ILE 2 HB ILE 2 6.970 -5.800 0.880 281 1HG1 ILE 2 1HG1 ILE 2 8.343 -4.396 -1.430 282 2HG1 ILE 2 2HG1 ILE 2 9.052 -5.589 -0.361 283 1HG2 ILE 2 1HG2 ILE 2 5.336 -3.684 0.115 284 2HG2 ILE 2 2HG2 ILE 2 5.823 -4.440 -1.421 285 3HG2 ILE 2 3HG2 ILE 2 5.039 -5.418 -0.156 286 1HD1 ILE 2 1HD1 ILE 2 7.235 -5.971 -2.667 287 2HD1 ILE 2 2HD1 ILE 2 8.401 -7.102 -1.940 288 3HD1 ILE 2 3HD1 ILE 2 6.779 -6.916 -1.229 289 H THR 3 H THR 3 7.923 -1.930 2.921 290 HA THR 3 HA THR 3 6.200 -3.103 4.886 291 HB THR 3 HB THR 3 6.969 -1.218 6.230 292 HG1 THR 3 1HG THR 3 8.011 -0.205 3.687 293 1HG2 THR 3 1HG2 THR 3 9.142 -1.921 6.268 294 2HG2 THR 3 2HG2 THR 3 8.832 -2.826 4.768 295 3HG2 THR 3 3HG2 THR 3 9.443 -1.156 4.689 296 H LYS 4 H LYS 4 4.391 -1.882 5.921 297 HA LYS 4 HA LYS 4 2.480 -1.264 3.945 298 1HB LYS 4 1HB LYS 4 2.593 -1.495 6.889 299 2HB LYS 4 2HB LYS 4 1.388 -0.374 6.290 300 1HG LYS 4 1HG LYS 4 0.156 -2.342 6.188 301 2HG LYS 4 2HG LYS 4 0.845 -2.354 4.576 302 1HD LYS 4 1HD LYS 4 1.469 -4.487 5.201 303 2HD LYS 4 2HD LYS 4 2.857 -3.634 5.846 304 1HE LYS 4 1HE LYS 4 0.393 -3.975 7.578 305 2HE LYS 4 2HE LYS 4 1.497 -5.322 7.384 306 1HZ LYS 4 1HZ LYS 4 3.254 -3.562 7.958 307 2HZ LYS 4 2HZ LYS 4 2.004 -2.722 8.589 308 3HZ LYS 4 3HZ LYS 4 2.358 -4.210 9.161 309 H ASP 5 H ASP 5 4.639 0.675 6.047 310 HA ASP 5 HA ASP 5 3.409 3.097 5.706 311 1HB ASP 5 1HB ASP 5 6.230 2.183 6.251 312 2HB ASP 5 2HB ASP 5 5.990 3.876 5.868 313 H GLN 6 H GLN 6 5.946 1.385 3.762 314 HA GLN 6 HA GLN 6 6.577 3.396 2.039 315 1HB GLN 6 1HB GLN 6 6.650 0.404 1.947 316 2HB GLN 6 2HB GLN 6 6.830 1.230 0.412 317 1HG GLN 6 1HG GLN 6 8.483 1.929 2.881 318 2HG GLN 6 2HG GLN 6 9.008 0.768 1.678 319 1HE2 GLN 6 1HE2 GLN 6 8.983 1.522 -0.609 320 2HE2 GLN 6 2HE2 GLN 6 9.493 3.141 -0.955 321 H ILE 7 H ILE 7 3.666 1.392 2.211 322 HA ILE 7 HA ILE 7 2.841 1.986 -0.467 323 HB ILE 7 HB ILE 7 1.451 0.703 1.885 324 1HG1 ILE 7 1HG1 ILE 7 3.452 -0.454 0.821 325 2HG1 ILE 7 2HG1 ILE 7 1.961 -1.371 0.913 326 1HG2 ILE 7 1HG2 ILE 7 -0.245 -0.038 0.250 327 2HG2 ILE 7 2HG2 ILE 7 -0.223 1.729 0.468 328 3HG2 ILE 7 3HG2 ILE 7 0.512 1.001 -0.981 329 1HD1 ILE 7 1HD1 ILE 7 1.554 -1.227 -1.391 330 2HD1 ILE 7 2HD1 ILE 7 2.499 0.271 -1.567 331 3HD1 ILE 7 3HD1 ILE 7 3.332 -1.287 -1.354 332 H ILE 8 H ILE 8 2.450 3.359 2.788 333 HA ILE 8 HA ILE 8 0.180 4.893 2.293 334 HB ILE 8 HB ILE 8 2.507 5.380 4.156 335 1HG1 ILE 8 1HG1 ILE 8 1.504 3.208 4.540 336 2HG1 ILE 8 2HG1 ILE 8 1.091 4.301 5.847 337 1HG2 ILE 8 1HG2 ILE 8 0.563 6.575 5.445 338 2HG2 ILE 8 2HG2 ILE 8 1.462 7.429 4.169 339 3HG2 ILE 8 3HG2 ILE 8 -0.142 6.741 3.820 340 1HD1 ILE 8 1HD1 ILE 8 -0.689 3.473 3.514 341 2HD1 ILE 8 2HD1 ILE 8 -0.929 3.116 5.241 342 3HD1 ILE 8 3HD1 ILE 8 -1.108 4.783 4.644 343 H GLU 9 H GLU 9 3.702 5.663 1.919 344 HA GLU 9 HA GLU 9 3.197 8.268 1.050 345 1HB GLU 9 1HB GLU 9 5.577 8.313 0.473 346 2HB GLU 9 2HB GLU 9 5.362 7.507 2.013 347 1HG GLU 9 1HG GLU 9 6.142 5.513 1.214 348 2HG GLU 9 2HG GLU 9 5.195 5.627 -0.256 349 H ALA 10 H ALA 10 2.807 5.196 -0.469 350 HA ALA 10 HA ALA 10 3.443 6.022 -3.126 351 1HB ALA 10 1HB ALA 10 1.717 3.672 -2.287 352 2HB ALA 10 2HB ALA 10 2.751 3.829 -3.727 353 3HB ALA 10 3HB ALA 10 3.489 3.655 -2.117 354 H VAL 11 H VAL 11 0.495 5.770 -1.078 355 HA VAL 11 HA VAL 11 -1.279 6.416 -3.192 356 HB VAL 11 HB VAL 11 -1.450 6.341 -0.188 357 1HG1 VAL 11 1HG1 VAL 11 -2.990 8.046 -0.589 358 2HG1 VAL 11 2HG1 VAL 11 -3.482 7.372 -2.161 359 3HG1 VAL 11 3HG1 VAL 11 -3.997 6.580 -0.652 360 1HG2 VAL 11 1HG2 VAL 11 -2.044 4.520 -2.427 361 2HG2 VAL 11 2HG2 VAL 11 -1.699 4.167 -0.716 362 3HG2 VAL 11 3HG2 VAL 11 -3.342 4.636 -1.214 363 H ALA 12 H ALA 12 0.870 8.231 -1.081 364 HA ALA 12 HA ALA 12 -0.514 10.721 -1.644 365 1HB ALA 12 1HB ALA 12 2.084 10.908 -0.317 366 2HB ALA 12 2HB ALA 12 0.477 11.410 0.258 367 3HB ALA 12 3HB ALA 12 1.017 9.728 0.482 368 H ALA 13 H ALA 13 1.181 8.741 -3.535 369 HA ALA 13 HA ALA 13 2.955 10.820 -4.593 370 1HB ALA 13 1HB ALA 13 2.836 7.849 -5.242 371 2HB ALA 13 2HB ALA 13 4.108 9.003 -5.710 372 3HB ALA 13 3HB ALA 13 3.892 8.562 -3.999 373 H MET 14 H MET 14 0.015 8.945 -5.146 374 HA MET 14 HA MET 14 -0.026 9.758 -7.918 375 1HB MET 14 1HB MET 14 -1.976 8.086 -6.234 376 2HB MET 14 2HB MET 14 -2.101 8.308 -7.968 377 1HG MET 14 1HG MET 14 -0.613 6.632 -8.339 378 2HG MET 14 2HG MET 14 0.594 7.431 -7.351 379 1HE MET 14 1HE MET 14 -1.518 4.493 -7.845 380 2HE MET 14 2HE MET 14 -2.076 3.936 -6.249 381 3HE MET 14 3HE MET 14 -2.816 5.370 -6.999 382 H SER 15 H SER 15 -2.346 10.505 -8.725 383 HA SER 15 HA SER 15 -2.853 12.892 -7.279 384 1HB SER 15 1HB SER 15 -4.792 12.845 -9.209 385 2HB SER 15 2HB SER 15 -3.156 13.411 -9.480 386 HG SER 15 HG SER 15 -3.803 11.849 -11.085 387 H VAL 16 H VAL 16 -5.180 13.575 -6.736 388 HA VAL 16 HA VAL 16 -6.252 11.798 -4.901 389 HB VAL 16 HB VAL 16 -7.426 14.213 -6.288 390 1HG1 VAL 16 1HG1 VAL 16 -9.387 13.670 -5.363 391 2HG1 VAL 16 2HG1 VAL 16 -8.667 12.300 -4.485 392 3HG1 VAL 16 3HG1 VAL 16 -8.630 13.932 -3.774 393 1HG2 VAL 16 1HG2 VAL 16 -5.275 14.192 -4.684 394 2HG2 VAL 16 2HG2 VAL 16 -6.463 15.518 -4.687 395 3HG2 VAL 16 3HG2 VAL 16 -6.547 14.250 -3.440 396 H MET 17 H MET 17 -7.226 12.567 -8.297 397 HA MET 17 HA MET 17 -9.500 11.013 -8.306 398 1HB MET 17 1HB MET 17 -7.563 12.111 -10.348 399 2HB MET 17 2HB MET 17 -8.671 10.876 -10.912 400 1HG MET 17 1HG MET 17 -10.193 12.737 -9.316 401 2HG MET 17 2HG MET 17 -9.208 13.675 -10.421 402 1HE MET 17 1HE MET 17 -11.759 14.283 -12.367 403 2HE MET 17 2HE MET 17 -12.904 13.267 -11.459 404 3HE MET 17 3HE MET 17 -11.677 14.221 -10.590 405 H ASP 18 H ASP 18 -6.080 10.187 -9.155 406 HA ASP 18 HA ASP 18 -6.547 7.683 -10.128 407 1HB ASP 18 1HB ASP 18 -4.349 9.144 -9.870 408 2HB ASP 18 2HB ASP 18 -4.155 8.276 -8.360 409 H VAL 19 H VAL 19 -6.399 8.953 -6.792 410 HA VAL 19 HA VAL 19 -6.152 6.358 -5.593 411 HB VAL 19 HB VAL 19 -6.584 9.157 -4.553 412 1HG1 VAL 19 1HG1 VAL 19 -6.737 6.530 -3.125 413 2HG1 VAL 19 2HG1 VAL 19 -5.943 7.896 -2.306 414 3HG1 VAL 19 3HG1 VAL 19 -7.634 8.041 -2.842 415 1HG2 VAL 19 1HG2 VAL 19 -4.305 8.861 -3.654 416 2HG2 VAL 19 2HG2 VAL 19 -4.230 7.244 -4.394 417 3HG2 VAL 19 3HG2 VAL 19 -4.350 8.690 -5.425 418 H VAL 20 H VAL 20 -8.723 8.641 -6.510 419 HA VAL 20 HA VAL 20 -10.757 7.506 -4.946 420 HB VAL 20 HB VAL 20 -10.622 9.202 -7.418 421 1HG1 VAL 20 1HG1 VAL 20 -13.204 9.423 -7.004 422 2HG1 VAL 20 2HG1 VAL 20 -12.569 8.089 -7.997 423 3HG1 VAL 20 3HG1 VAL 20 -13.034 7.795 -6.304 424 1HG2 VAL 20 1HG2 VAL 20 -11.808 9.712 -4.669 425 2HG2 VAL 20 2HG2 VAL 20 -10.167 10.181 -5.175 426 3HG2 VAL 20 3HG2 VAL 20 -11.585 10.897 -5.978 427 H GLU 21 H GLU 21 -9.469 6.799 -8.236 428 HA GLU 21 HA GLU 21 -11.447 4.935 -8.857 429 1HB GLU 21 1HB GLU 21 -8.718 5.633 -9.916 430 2HB GLU 21 2HB GLU 21 -9.423 4.112 -10.428 431 1HG GLU 21 1HG GLU 21 -11.464 5.299 -11.214 432 2HG GLU 21 2HG GLU 21 -10.812 6.825 -10.652 433 H LEU 22 H LEU 22 -8.150 4.642 -7.399 434 HA LEU 22 HA LEU 22 -8.024 1.886 -7.301 435 1HB LEU 22 1HB LEU 22 -6.182 3.472 -6.872 436 2HB LEU 22 2HB LEU 22 -6.912 3.894 -5.336 437 HG LEU 22 HG LEU 22 -6.729 1.301 -4.872 438 1HD1 LEU 22 1HD1 LEU 22 -4.697 1.744 -7.068 439 2HD1 LEU 22 2HD1 LEU 22 -4.604 0.407 -5.895 440 3HD1 LEU 22 3HD1 LEU 22 -5.998 0.531 -6.995 441 1HD2 LEU 22 1HD2 LEU 22 -5.463 2.261 -3.316 442 2HD2 LEU 22 2HD2 LEU 22 -4.084 2.047 -4.421 443 3HD2 LEU 22 3HD2 LEU 22 -4.987 3.581 -4.410 444 H ILE 23 H ILE 23 -9.041 4.120 -4.613 445 HA ILE 23 HA ILE 23 -9.859 2.188 -2.871 446 HB ILE 23 HB ILE 23 -10.827 4.995 -3.359 447 1HG1 ILE 23 1HG1 ILE 23 -8.509 4.778 -2.638 448 2HG1 ILE 23 2HG1 ILE 23 -9.489 5.507 -1.381 449 1HG2 ILE 23 1HG2 ILE 23 -11.938 2.931 -1.566 450 2HG2 ILE 23 2HG2 ILE 23 -11.568 4.491 -0.793 451 3HG2 ILE 23 3HG2 ILE 23 -12.664 4.429 -2.195 452 1HD1 ILE 23 1HD1 ILE 23 -9.758 2.934 -0.612 453 2HD1 ILE 23 2HD1 ILE 23 -8.198 2.798 -1.458 454 3HD1 ILE 23 3HD1 ILE 23 -8.377 3.933 -0.098 455 H SER 24 H SER 24 -11.764 3.760 -5.516 456 HA SER 24 HA SER 24 -14.152 2.558 -4.897 457 1HB SER 24 1HB SER 24 -12.940 3.792 -7.349 458 2HB SER 24 2HB SER 24 -14.389 2.834 -7.584 459 HG SER 24 HG SER 24 -14.303 5.356 -6.816 460 H ALA 25 H ALA 25 -11.338 1.411 -6.807 461 HA ALA 25 HA ALA 25 -12.565 -0.778 -8.018 462 1HB ALA 25 1HB ALA 25 -9.682 -0.773 -7.118 463 2HB ALA 25 2HB ALA 25 -10.388 -1.380 -8.635 464 3HB ALA 25 3HB ALA 25 -10.235 0.373 -8.363 465 H MET 26 H MET 26 -10.335 -0.806 -5.140 466 HA MET 26 HA MET 26 -10.766 -3.387 -4.458 467 1HB MET 26 1HB MET 26 -10.241 -0.903 -2.744 468 2HB MET 26 2HB MET 26 -10.182 -2.520 -2.071 469 1HG MET 26 1HG MET 26 -8.355 -3.161 -3.556 470 2HG MET 26 2HG MET 26 -8.525 -1.694 -4.498 471 1HE MET 26 1HE MET 26 -6.124 -0.968 -4.322 472 2HE MET 26 2HE MET 26 -5.178 -0.865 -2.818 473 3HE MET 26 3HE MET 26 -5.702 -2.451 -3.433 474 H GLU 27 H GLU 27 -12.731 -0.495 -3.608 475 HA GLU 27 HA GLU 27 -14.264 -1.537 -1.642 476 1HB GLU 27 1HB GLU 27 -14.668 0.546 -3.758 477 2HB GLU 27 2HB GLU 27 -16.105 0.009 -2.911 478 1HG GLU 27 1HG GLU 27 -13.559 1.016 -1.553 479 2HG GLU 27 2HG GLU 27 -15.002 1.979 -1.808 480 H GLU 28 H GLU 28 -14.653 -1.904 -5.212 481 HA GLU 28 HA GLU 28 -17.060 -3.395 -4.841 482 1HB GLU 28 1HB GLU 28 -16.421 -1.802 -6.816 483 2HB GLU 28 2HB GLU 28 -15.506 -3.161 -7.437 484 1HG GLU 28 1HG GLU 28 -17.912 -4.381 -6.819 485 2HG GLU 28 2HG GLU 28 -18.455 -2.779 -7.277 486 H LYS 29 H LYS 29 -13.654 -4.017 -5.899 487 HA LYS 29 HA LYS 29 -13.915 -6.650 -6.604 488 1HB LYS 29 1HB LYS 29 -11.913 -5.385 -7.050 489 2HB LYS 29 2HB LYS 29 -11.595 -5.169 -5.341 490 1HG LYS 29 1HG LYS 29 -10.179 -6.972 -5.892 491 2HG LYS 29 2HG LYS 29 -11.576 -7.786 -5.215 492 1HD LYS 29 1HD LYS 29 -12.382 -8.464 -7.348 493 2HD LYS 29 2HD LYS 29 -11.455 -7.243 -8.196 494 1HE LYS 29 1HE LYS 29 -9.826 -9.187 -6.616 495 2HE LYS 29 2HE LYS 29 -10.694 -9.879 -7.972 496 1HZ LYS 29 1HZ LYS 29 -9.670 -7.631 -9.006 497 2HZ LYS 29 2HZ LYS 29 -8.484 -8.086 -7.980 498 3HZ LYS 29 3HZ LYS 29 -8.995 -9.112 -9.144 499 H PHE 30 H PHE 30 -12.746 -5.469 -3.366 500 HA PHE 30 HA PHE 30 -13.119 -8.055 -2.250 501 1HB PHE 30 1HB PHE 30 -12.571 -5.224 -1.190 502 2HB PHE 30 2HB PHE 30 -12.626 -6.609 -0.118 503 HD1 PHE 30 1HD PHE 30 -10.636 -4.746 -2.464 504 HD2 PHE 30 2HD PHE 30 -10.944 -8.457 -0.429 505 HE1 PHE 30 1HE PHE 30 -8.212 -5.203 -2.930 506 HE2 PHE 30 2HE PHE 30 -8.520 -8.913 -0.894 507 HZ PHE 30 HZ PHE 30 -7.183 -7.281 -2.139 508 H GLY 31 H GLY 31 -15.309 -5.615 -3.089 509 1HA GLY 31 1HA GLY 31 -17.392 -5.058 -2.419 510 2HA GLY 31 2HA GLY 31 -17.561 -6.778 -2.127 511 H VAL 32 H VAL 32 -15.776 -4.045 -0.505 512 HA VAL 32 HA VAL 32 -16.725 -5.121 2.045 513 HB VAL 32 HB VAL 32 -14.275 -4.829 1.560 514 1HG1 VAL 32 1HG1 VAL 32 -14.540 -1.904 2.112 515 2HG1 VAL 32 2HG1 VAL 32 -13.286 -2.794 1.214 516 3HG1 VAL 32 3HG1 VAL 32 -14.865 -2.472 0.457 517 1HG2 VAL 32 1HG2 VAL 32 -15.232 -4.980 3.852 518 2HG2 VAL 32 2HG2 VAL 32 -13.749 -3.998 3.776 519 3HG2 VAL 32 3HG2 VAL 32 -15.338 -3.204 3.894 520 H SER 33 H SER 33 -18.835 -4.049 0.854 521 HA SER 33 HA SER 33 -19.148 -1.582 2.309 522 1HB SER 33 1HB SER 33 -18.508 -1.280 -0.278 523 2HB SER 33 2HB SER 33 -20.211 -1.619 -0.512 524 HG SER 33 HG SER 33 -20.789 0.231 0.555 525 H ALA 34 H ALA 34 -21.152 -1.540 3.314 526 HA ALA 34 HA ALA 34 -23.083 -2.339 4.055 527 1HB ALA 34 1HB ALA 34 -24.290 -3.122 1.540 528 2HB ALA 34 2HB ALA 34 -24.642 -1.710 2.565 529 3HB ALA 34 3HB ALA 34 -23.364 -1.617 1.329 530 H ALA 35 H ALA 35 -22.095 -4.176 5.117 531 HA ALA 35 HA ALA 35 -23.236 -6.624 4.332 532 1HB ALA 35 1HB ALA 35 -20.816 -7.698 4.115 533 2HB ALA 35 2HB ALA 35 -21.639 -7.006 2.696 534 3HB ALA 35 3HB ALA 35 -20.388 -6.067 3.546 535 H ALA 36 H ALA 36 -23.936 -6.974 6.405 536 HA ALA 36 HA ALA 36 -22.854 -6.173 8.727 537 1HB ALA 36 1HB ALA 36 -23.857 -8.978 8.710 538 2HB ALA 36 2HB ALA 36 -24.389 -7.578 9.671 539 3HB ALA 36 3HB ALA 36 -24.933 -7.758 7.986 540 H ALA 37 H ALA 37 -21.001 -6.500 9.863 541 HA ALA 37 HA ALA 37 -19.046 -7.333 10.475 542 1HB ALA 37 1HB ALA 37 -19.044 -9.542 11.045 543 2HB ALA 37 2HB ALA 37 -20.753 -9.455 10.556 544 3HB ALA 37 3HB ALA 37 -19.532 -10.071 9.417 Start of MODEL 4 1 1H SER 1 H SER 1 5.477 -1.939 -15.131 2 HA SER 1 HA SER 1 3.275 -1.822 -15.016 3 1HB SER 1 1HB SER 1 3.857 -4.468 -13.619 4 2HB SER 1 2HB SER 1 2.268 -4.024 -14.211 5 HG SER 1 HG SER 1 4.649 -4.139 -15.860 6 H ILE 2 H ILE 2 3.418 0.067 -13.427 7 HA ILE 2 HA ILE 2 2.509 -0.716 -10.756 8 HB ILE 2 HB ILE 2 3.474 1.993 -11.654 9 1HG1 ILE 2 1HG1 ILE 2 5.106 -0.285 -10.496 10 2HG1 ILE 2 2HG1 ILE 2 5.236 0.360 -12.120 11 1HG2 ILE 2 1HG2 ILE 2 3.872 2.339 -9.263 12 2HG2 ILE 2 2HG2 ILE 2 2.164 1.967 -9.595 13 3HG2 ILE 2 3HG2 ILE 2 3.231 0.715 -8.917 14 1HD1 ILE 2 1HD1 ILE 2 6.024 1.649 -9.500 15 2HD1 ILE 2 2HD1 ILE 2 6.960 1.503 -11.006 16 3HD1 ILE 2 3HD1 ILE 2 5.624 2.674 -10.899 17 H THR 3 H THR 3 0.494 -1.293 -12.269 18 HA THR 3 HA THR 3 -1.106 1.079 -12.805 19 HB THR 3 HB THR 3 -2.663 -0.712 -13.751 20 HG1 THR 3 1HG THR 3 -1.944 -2.845 -13.471 21 1HG2 THR 3 1HG2 THR 3 0.267 -0.666 -14.620 22 2HG2 THR 3 2HG2 THR 3 -0.968 -1.607 -15.491 23 3HG2 THR 3 3HG2 THR 3 -1.108 0.164 -15.388 24 H LYS 4 H LYS 4 -3.351 1.236 -12.015 25 HA LYS 4 HA LYS 4 -3.418 1.190 -9.256 26 1HB LYS 4 1HB LYS 4 -5.447 1.532 -11.433 27 2HB LYS 4 2HB LYS 4 -6.016 1.318 -9.790 28 1HG LYS 4 1HG LYS 4 -4.827 3.260 -9.006 29 2HG LYS 4 2HG LYS 4 -3.842 3.342 -10.453 30 1HD LYS 4 1HD LYS 4 -6.862 3.598 -10.646 31 2HD LYS 4 2HD LYS 4 -5.888 4.983 -10.196 32 1HE LYS 4 1HE LYS 4 -4.872 5.140 -12.295 33 2HE LYS 4 2HE LYS 4 -4.996 3.420 -12.609 34 1HZ LYS 4 1HZ LYS 4 -7.229 5.330 -12.644 35 2HZ LYS 4 2HZ LYS 4 -6.538 4.631 -13.948 36 3HZ LYS 4 3HZ LYS 4 -7.379 3.722 -12.883 37 H ASP 5 H ASP 5 -4.666 -1.194 -11.664 38 HA ASP 5 HA ASP 5 -6.036 -2.749 -9.874 39 1HB ASP 5 1HB ASP 5 -4.654 -3.288 -12.517 40 2HB ASP 5 2HB ASP 5 -5.361 -4.627 -11.636 41 H GLN 6 H GLN 6 -2.605 -2.879 -11.050 42 HA GLN 6 HA GLN 6 -1.859 -5.228 -9.907 43 1HB GLN 6 1HB GLN 6 -0.410 -2.688 -10.633 44 2HB GLN 6 2HB GLN 6 0.467 -3.905 -9.727 45 1HG GLN 6 1HG GLN 6 -1.109 -4.692 -12.199 46 2HG GLN 6 2HG GLN 6 0.489 -3.993 -12.363 47 1HE2 GLN 6 1HE2 GLN 6 -0.569 -6.686 -12.943 48 2HE2 GLN 6 2HE2 GLN 6 0.415 -7.818 -12.075 49 H ILE 7 H ILE 7 -2.568 -2.131 -8.385 50 HA ILE 7 HA ILE 7 -1.130 -2.779 -5.975 51 HB ILE 7 HB ILE 7 -2.922 -0.490 -6.780 52 1HG1 ILE 7 1HG1 ILE 7 0.066 -0.551 -6.280 53 2HG1 ILE 7 2HG1 ILE 7 -0.660 -0.708 -7.866 54 1HG2 ILE 7 1HG2 ILE 7 -1.419 -0.918 -4.183 55 2HG2 ILE 7 2HG2 ILE 7 -2.173 0.611 -4.696 56 3HG2 ILE 7 3HG2 ILE 7 -3.184 -0.824 -4.399 57 1HD1 ILE 7 1HD1 ILE 7 -0.217 1.607 -7.715 58 2HD1 ILE 7 2HD1 ILE 7 -1.936 1.508 -7.266 59 3HD1 ILE 7 3HD1 ILE 7 -0.695 1.682 -6.002 60 H ILE 8 H ILE 8 -4.414 -3.016 -7.312 61 HA ILE 8 HA ILE 8 -5.771 -3.352 -4.894 62 HB ILE 8 HB ILE 8 -6.390 -4.418 -7.652 63 1HG1 ILE 8 1HG1 ILE 8 -6.051 -1.964 -7.554 64 2HG1 ILE 8 2HG1 ILE 8 -7.686 -2.425 -7.986 65 1HG2 ILE 8 1HG2 ILE 8 -7.791 -5.639 -6.258 66 2HG2 ILE 8 2HG2 ILE 8 -7.993 -4.295 -5.109 67 3HG2 ILE 8 3HG2 ILE 8 -8.788 -4.232 -6.700 68 1HD1 ILE 8 1HD1 ILE 8 -8.453 -2.032 -5.670 69 2HD1 ILE 8 2HD1 ILE 8 -6.788 -1.649 -5.171 70 3HD1 ILE 8 3HD1 ILE 8 -7.646 -0.579 -6.307 71 H GLU 9 H GLU 9 -4.153 -5.698 -7.116 72 HA GLU 9 HA GLU 9 -4.939 -7.940 -5.672 73 1HB GLU 9 1HB GLU 9 -2.623 -7.432 -7.581 74 2HB GLU 9 2HB GLU 9 -2.948 -9.015 -6.903 75 1HG GLU 9 1HG GLU 9 -5.275 -8.928 -7.845 76 2HG GLU 9 2HG GLU 9 -4.923 -7.360 -8.546 77 H ALA 10 H ALA 10 -2.696 -5.422 -4.944 78 HA ALA 10 HA ALA 10 -0.834 -7.032 -3.486 79 1HB ALA 10 1HB ALA 10 0.293 -5.002 -3.113 80 2HB ALA 10 2HB ALA 10 -0.499 -4.741 -4.686 81 3HB ALA 10 3HB ALA 10 -1.203 -4.043 -3.208 82 H VAL 11 H VAL 11 -3.672 -4.929 -2.752 83 HA VAL 11 HA VAL 11 -3.378 -5.180 0.054 84 HB VAL 11 HB VAL 11 -5.591 -4.287 -1.787 85 1HG1 VAL 11 1HG1 VAL 11 -6.689 -5.224 0.163 86 2HG1 VAL 11 2HG1 VAL 11 -5.600 -4.327 1.249 87 3HG1 VAL 11 3HG1 VAL 11 -6.769 -3.447 0.235 88 1HG2 VAL 11 1HG2 VAL 11 -5.044 -2.084 -0.549 89 2HG2 VAL 11 2HG2 VAL 11 -3.552 -2.909 -0.040 90 3HG2 VAL 11 3HG2 VAL 11 -3.893 -2.673 -1.771 91 H ALA 12 H ALA 12 -4.676 -7.202 -2.504 92 HA ALA 12 HA ALA 12 -6.214 -8.781 -0.609 93 1HB ALA 12 1HB ALA 12 -6.862 -10.031 -2.669 94 2HB ALA 12 2HB ALA 12 -7.205 -8.289 -2.789 95 3HB ALA 12 3HB ALA 12 -5.788 -8.976 -3.618 96 H ALA 13 H ALA 13 -3.075 -8.405 -0.871 97 HA ALA 13 HA ALA 13 -2.462 -11.269 -1.095 98 1HB ALA 13 1HB ALA 13 -0.440 -9.020 -1.152 99 2HB ALA 13 2HB ALA 13 -0.310 -10.663 -1.825 100 3HB ALA 13 3HB ALA 13 -1.359 -9.459 -2.612 101 H MET 14 H MET 14 -2.625 -8.443 0.993 102 HA MET 14 HA MET 14 -0.917 -9.700 2.948 103 1HB MET 14 1HB MET 14 -2.438 -7.032 2.922 104 2HB MET 14 2HB MET 14 -1.331 -7.517 4.191 105 1HG MET 14 1HG MET 14 0.544 -7.115 2.903 106 2HG MET 14 2HG MET 14 -0.205 -7.707 1.434 107 1HE MET 14 1HE MET 14 1.501 -4.595 2.216 108 2HE MET 14 2HE MET 14 1.451 -5.717 0.836 109 3HE MET 14 3HE MET 14 0.875 -4.044 0.644 110 H SER 15 H SER 15 -1.777 -9.474 5.360 111 HA SER 15 HA SER 15 -4.121 -11.062 5.417 112 1HB SER 15 1HB SER 15 -3.634 -10.498 8.046 113 2HB SER 15 2HB SER 15 -2.824 -11.771 7.155 114 HG SER 15 HG SER 15 -1.498 -10.058 8.395 115 H VAL 16 H VAL 16 -6.018 -10.523 6.905 116 HA VAL 16 HA VAL 16 -7.204 -8.158 6.116 117 HB VAL 16 HB VAL 16 -7.776 -9.888 8.531 118 1HG1 VAL 16 1HG1 VAL 16 -9.989 -8.984 8.533 119 2HG1 VAL 16 2HG1 VAL 16 -8.862 -7.607 8.504 120 3HG1 VAL 16 3HG1 VAL 16 -9.701 -8.102 7.014 121 1HG2 VAL 16 1HG2 VAL 16 -9.621 -10.638 6.722 122 2HG2 VAL 16 2HG2 VAL 16 -8.295 -10.208 5.616 123 3HG2 VAL 16 3HG2 VAL 16 -8.037 -11.434 6.880 124 H MET 17 H MET 17 -5.391 -8.987 9.127 125 HA MET 17 HA MET 17 -5.900 -6.608 10.432 126 1HB MET 17 1HB MET 17 -3.794 -8.780 10.538 127 2HB MET 17 2HB MET 17 -3.460 -7.306 11.425 128 1HG MET 17 1HG MET 17 -5.657 -7.539 12.623 129 2HG MET 17 2HG MET 17 -5.969 -9.025 11.748 130 1HE MET 17 1HE MET 17 -4.996 -8.933 15.579 131 2HE MET 17 2HE MET 17 -6.323 -8.860 14.395 132 3HE MET 17 3HE MET 17 -5.657 -10.434 14.889 133 H ASP 18 H ASP 18 -3.174 -7.575 8.249 134 HA ASP 18 HA ASP 18 -1.700 -5.279 8.605 135 1HB ASP 18 1HB ASP 18 -0.814 -7.301 7.515 136 2HB ASP 18 2HB ASP 18 -1.960 -7.139 6.199 137 H VAL 19 H VAL 19 -4.616 -6.004 6.738 138 HA VAL 19 HA VAL 19 -4.319 -3.788 4.938 139 HB VAL 19 HB VAL 19 -6.493 -5.796 5.520 140 1HG1 VAL 19 1HG1 VAL 19 -7.637 -4.868 3.479 141 2HG1 VAL 19 2HG1 VAL 19 -7.671 -3.800 4.903 142 3HG1 VAL 19 3HG1 VAL 19 -6.536 -3.472 3.571 143 1HG2 VAL 19 1HG2 VAL 19 -4.375 -6.462 4.281 144 2HG2 VAL 19 2HG2 VAL 19 -5.909 -6.767 3.430 145 3HG2 VAL 19 3HG2 VAL 19 -4.902 -5.370 2.977 146 H VAL 20 H VAL 20 -6.210 -4.601 7.904 147 HA VAL 20 HA VAL 20 -7.781 -2.331 7.973 148 HB VAL 20 HB VAL 20 -6.645 -4.152 10.084 149 1HG1 VAL 20 1HG1 VAL 20 -6.920 -2.148 11.310 150 2HG1 VAL 20 2HG1 VAL 20 -8.426 -1.734 10.457 151 3HG1 VAL 20 3HG1 VAL 20 -8.400 -3.089 11.611 152 1HG2 VAL 20 1HG2 VAL 20 -9.561 -3.856 9.501 153 2HG2 VAL 20 2HG2 VAL 20 -8.549 -4.681 8.292 154 3HG2 VAL 20 3HG2 VAL 20 -8.623 -5.298 9.960 155 H GLU 21 H GLU 21 -4.387 -2.881 9.017 156 HA GLU 21 HA GLU 21 -4.153 -0.386 10.271 157 1HB GLU 21 1HB GLU 21 -2.137 -2.399 9.212 158 2HB GLU 21 2HB GLU 21 -1.626 -0.897 9.955 159 1HG GLU 21 1HG GLU 21 -3.458 -1.772 11.816 160 2HG GLU 21 2HG GLU 21 -2.870 -3.306 11.206 161 H LEU 22 H LEU 22 -3.369 -1.624 6.968 162 HA LEU 22 HA LEU 22 -2.098 0.618 5.994 163 1HB LEU 22 1HB LEU 22 -2.305 -1.644 4.945 164 2HB LEU 22 2HB LEU 22 -3.940 -1.228 4.473 165 HG LEU 22 HG LEU 22 -2.791 0.840 3.324 166 1HD1 LEU 22 1HD1 LEU 22 -0.571 0.855 3.018 167 2HD1 LEU 22 2HD1 LEU 22 -0.533 -0.243 4.418 168 3HD1 LEU 22 3HD1 LEU 22 -0.488 -0.905 2.767 169 1HD2 LEU 22 1HD2 LEU 22 -4.037 -0.838 2.116 170 2HD2 LEU 22 2HD2 LEU 22 -2.518 -0.493 1.254 171 3HD2 LEU 22 3HD2 LEU 22 -2.675 -1.980 2.221 172 H ILE 23 H ILE 23 -5.614 -0.230 5.586 173 HA ILE 23 HA ILE 23 -6.353 2.150 4.437 174 HB ILE 23 HB ILE 23 -7.713 -0.029 5.918 175 1HG1 ILE 23 1HG1 ILE 23 -9.006 -0.161 3.837 176 2HG1 ILE 23 2HG1 ILE 23 -8.215 1.279 3.229 177 1HG2 ILE 23 1HG2 ILE 23 -8.844 1.790 6.954 178 2HG2 ILE 23 2HG2 ILE 23 -8.983 2.670 5.413 179 3HG2 ILE 23 3HG2 ILE 23 -9.909 1.171 5.669 180 1HD1 ILE 23 1HD1 ILE 23 -6.723 -1.255 4.044 181 2HD1 ILE 23 2HD1 ILE 23 -7.199 -0.865 2.374 182 3HD1 ILE 23 3HD1 ILE 23 -6.035 0.172 3.232 183 H SER 24 H SER 24 -6.009 1.281 7.913 184 HA SER 24 HA SER 24 -7.241 3.529 8.912 185 1HB SER 24 1HB SER 24 -5.256 1.524 9.944 186 2HB SER 24 2HB SER 24 -5.458 2.993 10.878 187 HG SER 24 HG SER 24 -7.529 2.465 11.379 188 H ALA 25 H ALA 25 -3.875 2.929 7.812 189 HA ALA 25 HA ALA 25 -2.733 5.252 8.863 190 1HB ALA 25 1HB ALA 25 -1.219 4.747 6.677 191 2HB ALA 25 2HB ALA 25 -1.120 3.783 8.169 192 3HB ALA 25 3HB ALA 25 -2.090 3.199 6.796 193 H MET 26 H MET 26 -3.686 4.584 5.413 194 HA MET 26 HA MET 26 -3.322 7.088 4.491 195 1HB MET 26 1HB MET 26 -5.418 4.969 3.788 196 2HB MET 26 2HB MET 26 -5.213 6.416 2.821 197 1HG MET 26 1HG MET 26 -2.761 5.804 2.527 198 2HG MET 26 2HG MET 26 -3.074 4.303 3.375 199 1HE MET 26 1HE MET 26 -3.068 2.537 0.063 200 2HE MET 26 2HE MET 26 -1.880 3.621 0.826 201 3HE MET 26 3HE MET 26 -2.781 2.450 1.818 202 H GLU 27 H GLU 27 -6.178 5.777 6.238 203 HA GLU 27 HA GLU 27 -7.958 7.762 5.734 204 1HB GLU 27 1HB GLU 27 -7.490 5.912 8.069 205 2HB GLU 27 2HB GLU 27 -8.697 7.172 8.236 206 1HG GLU 27 1HG GLU 27 -8.723 5.466 5.739 207 2HG GLU 27 2HG GLU 27 -9.338 4.779 7.229 208 H GLU 28 H GLU 28 -5.409 7.626 8.305 209 HA GLU 28 HA GLU 28 -6.182 10.192 9.269 210 1HB GLU 28 1HB GLU 28 -5.337 8.489 10.824 211 2HB GLU 28 2HB GLU 28 -3.828 8.375 9.941 212 1HG GLU 28 1HG GLU 28 -3.139 10.579 10.598 213 2HG GLU 28 2HG GLU 28 -4.757 11.029 11.097 214 H LYS 29 H LYS 29 -3.449 8.770 7.379 215 HA LYS 29 HA LYS 29 -1.798 10.943 7.279 216 1HB LYS 29 1HB LYS 29 -1.136 8.781 6.450 217 2HB LYS 29 2HB LYS 29 -2.368 8.811 5.204 218 1HG LYS 29 1HG LYS 29 -0.416 9.471 4.040 219 2HG LYS 29 2HG LYS 29 -1.218 10.996 4.363 220 1HD LYS 29 1HD LYS 29 0.227 11.387 6.331 221 2HD LYS 29 2HD LYS 29 0.970 9.812 6.136 222 1HE LYS 29 1HE LYS 29 1.036 11.836 3.869 223 2HE LYS 29 2HE LYS 29 2.206 11.922 5.171 224 1HZ LYS 29 1HZ LYS 29 1.726 9.512 3.560 225 2HZ LYS 29 2HZ LYS 29 2.933 10.578 3.285 226 3HZ LYS 29 3HZ LYS 29 2.903 9.718 4.673 227 H PHE 30 H PHE 30 -4.160 10.080 4.650 228 HA PHE 30 HA PHE 30 -3.997 12.720 3.602 229 1HB PHE 30 1HB PHE 30 -5.913 10.350 3.162 230 2HB PHE 30 2HB PHE 30 -5.832 11.746 2.106 231 HD1 PHE 30 1HD PHE 30 -3.274 12.256 1.317 232 HD2 PHE 30 2HD PHE 30 -4.835 8.466 2.413 233 HE1 PHE 30 1HE PHE 30 -1.486 11.128 -0.037 234 HE2 PHE 30 2HE PHE 30 -3.048 7.338 1.059 235 HZ PHE 30 HZ PHE 30 -1.395 8.682 -0.150 236 H GLY 31 H GLY 31 -5.567 11.461 6.314 237 1HA GLY 31 1HA GLY 31 -7.316 12.125 7.571 238 2HA GLY 31 2HA GLY 31 -6.894 13.735 7.021 239 H VAL 32 H VAL 32 -8.406 10.789 5.498 240 HA VAL 32 HA VAL 32 -10.638 12.536 4.721 241 HB VAL 32 HB VAL 32 -9.443 10.266 3.119 242 1HG1 VAL 32 1HG1 VAL 32 -11.965 10.854 2.947 243 2HG1 VAL 32 2HG1 VAL 32 -11.405 12.320 2.107 244 3HG1 VAL 32 3HG1 VAL 32 -11.014 10.712 1.450 245 1HG2 VAL 32 1HG2 VAL 32 -9.011 13.241 3.036 246 2HG2 VAL 32 2HG2 VAL 32 -7.833 11.916 2.882 247 3HG2 VAL 32 3HG2 VAL 32 -8.933 12.290 1.533 248 H SER 33 H SER 33 -11.226 11.665 7.014 249 HA SER 33 HA SER 33 -12.354 8.999 6.703 250 1HB SER 33 1HB SER 33 -12.346 8.826 9.119 251 2HB SER 33 2HB SER 33 -10.761 9.380 8.616 252 HG SER 33 HG SER 33 -11.308 11.524 9.229 253 H ALA 34 H ALA 34 -14.601 8.649 7.199 254 HA ALA 34 HA ALA 34 -16.743 9.157 7.464 255 1HB ALA 34 1HB ALA 34 -17.390 10.927 8.875 256 2HB ALA 34 2HB ALA 34 -15.737 10.551 9.419 257 3HB ALA 34 3HB ALA 34 -16.030 11.956 8.366 258 H ALA 35 H ALA 35 -17.377 9.055 5.319 259 HA ALA 35 HA ALA 35 -17.949 11.570 4.073 260 1HB ALA 35 1HB ALA 35 -15.865 9.685 2.911 261 2HB ALA 35 2HB ALA 35 -16.695 10.941 1.962 262 3HB ALA 35 3HB ALA 35 -15.662 11.402 3.336 263 H ALA 36 H ALA 36 -20.103 10.729 4.405 264 HA ALA 36 HA ALA 36 -21.066 8.295 3.735 265 1HB ALA 36 1HB ALA 36 -22.311 11.040 3.306 266 2HB ALA 36 2HB ALA 36 -23.213 9.505 3.279 267 3HB ALA 36 3HB ALA 36 -22.408 10.038 4.775 268 H ALA 37 H ALA 37 -22.318 7.553 1.790 269 HA ALA 37 HA ALA 37 -22.394 7.021 -0.356 270 1HB ALA 37 1HB ALA 37 -22.371 8.820 -1.994 271 2HB ALA 37 2HB ALA 37 -23.192 9.391 -0.522 272 3HB ALA 37 3HB ALA 37 -21.517 9.892 -0.859 273 1H SER 1 H SER 1 10.937 -4.308 -0.332 274 HA SER 1 HA SER 1 10.758 -4.094 2.538 275 1HB SER 1 1HB SER 1 11.565 -1.775 0.729 276 2HB SER 1 2HB SER 1 11.044 -1.578 2.391 277 HG SER 1 HG SER 1 12.841 -3.006 3.023 278 H ILE 2 H ILE 2 8.642 -5.102 1.810 279 HA ILE 2 HA ILE 2 6.875 -3.143 0.542 280 HB ILE 2 HB ILE 2 6.357 -6.070 1.044 281 1HG1 ILE 2 1HG1 ILE 2 7.578 -4.754 -1.399 282 2HG1 ILE 2 2HG1 ILE 2 8.371 -5.880 -0.316 283 1HG2 ILE 2 1HG2 ILE 2 4.559 -5.861 -0.461 284 2HG2 ILE 2 2HG2 ILE 2 4.439 -4.451 0.618 285 3HG2 ILE 2 3HG2 ILE 2 5.102 -4.262 -1.023 286 1HD1 ILE 2 1HD1 ILE 2 7.673 -7.264 -2.098 287 2HD1 ILE 2 2HD1 ILE 2 6.385 -7.499 -0.891 288 3HD1 ILE 2 3HD1 ILE 2 6.120 -6.411 -2.275 289 H THR 3 H THR 3 7.361 -2.103 2.865 290 HA THR 3 HA THR 3 5.720 -3.269 4.942 291 HB THR 3 HB THR 3 6.582 -1.213 6.179 292 HG1 THR 3 1HG THR 3 7.502 0.317 4.859 293 1HG2 THR 3 1HG2 THR 3 8.646 -2.865 4.632 294 2HG2 THR 3 2HG2 THR 3 9.050 -1.777 5.981 295 3HG2 THR 3 3HG2 THR 3 8.030 -3.207 6.266 296 H LYS 4 H LYS 4 4.004 -2.047 6.046 297 HA LYS 4 HA LYS 4 2.012 -1.324 4.281 298 1HB LYS 4 1HB LYS 4 2.446 -1.010 7.233 299 2HB LYS 4 2HB LYS 4 1.084 -0.200 6.485 300 1HG LYS 4 1HG LYS 4 0.123 -2.255 5.720 301 2HG LYS 4 2HG LYS 4 1.620 -3.140 5.935 302 1HD LYS 4 1HD LYS 4 0.241 -1.857 8.319 303 2HD LYS 4 2HD LYS 4 -0.293 -3.416 7.721 304 1HE LYS 4 1HE LYS 4 1.964 -4.366 8.042 305 2HE LYS 4 2HE LYS 4 2.597 -2.797 8.499 306 1HZ LYS 4 1HZ LYS 4 0.392 -3.341 10.092 307 2HZ LYS 4 2HZ LYS 4 1.352 -4.662 10.118 308 3HZ LYS 4 3HZ LYS 4 1.955 -3.205 10.547 309 H ASP 5 H ASP 5 4.355 0.727 6.114 310 HA ASP 5 HA ASP 5 3.236 3.137 5.490 311 1HB ASP 5 1HB ASP 5 6.054 2.204 6.077 312 2HB ASP 5 2HB ASP 5 5.804 3.872 5.603 313 H GLN 6 H GLN 6 5.660 1.097 3.735 314 HA GLN 6 HA GLN 6 6.488 2.899 1.886 315 1HB GLN 6 1HB GLN 6 6.272 -0.089 1.989 316 2HB GLN 6 2HB GLN 6 6.580 0.618 0.415 317 1HG GLN 6 1HG GLN 6 8.213 1.532 2.798 318 2HG GLN 6 2HG GLN 6 8.604 0.010 2.024 319 1HE2 GLN 6 1HE2 GLN 6 8.941 3.357 1.971 320 2HE2 GLN 6 2HE2 GLN 6 9.705 3.559 0.430 321 H ILE 7 H ILE 7 3.385 1.240 2.144 322 HA ILE 7 HA ILE 7 2.675 1.799 -0.595 323 HB ILE 7 HB ILE 7 1.418 0.400 1.727 324 1HG1 ILE 7 1HG1 ILE 7 1.080 -1.265 -0.281 325 2HG1 ILE 7 2HG1 ILE 7 2.316 -0.293 -1.054 326 1HG2 ILE 7 1HG2 ILE 7 -0.420 1.728 1.000 327 2HG2 ILE 7 2HG2 ILE 7 -0.051 1.419 -0.714 328 3HG2 ILE 7 3HG2 ILE 7 -0.643 0.097 0.321 329 1HD1 ILE 7 1HD1 ILE 7 3.896 -0.715 0.748 330 2HD1 ILE 7 2HD1 ILE 7 2.633 -1.491 1.734 331 3HD1 ILE 7 3HD1 ILE 7 3.210 -2.279 0.245 332 H ILE 8 H ILE 8 2.284 3.186 2.655 333 HA ILE 8 HA ILE 8 0.135 4.868 2.094 334 HB ILE 8 HB ILE 8 2.422 5.214 4.036 335 1HG1 ILE 8 1HG1 ILE 8 1.395 3.116 4.473 336 2HG1 ILE 8 2HG1 ILE 8 0.787 4.243 5.669 337 1HG2 ILE 8 1HG2 ILE 8 1.448 7.047 4.852 338 2HG2 ILE 8 2HG2 ILE 8 0.535 7.099 3.325 339 3HG2 ILE 8 3HG2 ILE 8 -0.180 6.332 4.764 340 1HD1 ILE 8 1HD1 ILE 8 -1.113 2.993 4.863 341 2HD1 ILE 8 2HD1 ILE 8 -1.239 4.619 4.150 342 3HD1 ILE 8 3HD1 ILE 8 -0.646 3.259 3.166 343 H GLU 9 H GLU 9 3.695 5.275 1.678 344 HA GLU 9 HA GLU 9 3.373 7.949 0.801 345 1HB GLU 9 1HB GLU 9 5.774 7.912 0.455 346 2HB GLU 9 2HB GLU 9 5.428 7.070 1.952 347 1HG GLU 9 1HG GLU 9 6.588 5.300 1.133 348 2HG GLU 9 2HG GLU 9 5.279 5.046 -0.004 349 H ALA 10 H ALA 10 2.951 4.843 -0.632 350 HA ALA 10 HA ALA 10 3.786 5.567 -3.271 351 1HB ALA 10 1HB ALA 10 2.938 3.370 -3.860 352 2HB ALA 10 2HB ALA 10 3.820 3.241 -2.320 353 3HB ALA 10 3HB ALA 10 2.040 3.259 -2.327 354 H VAL 11 H VAL 11 0.744 5.498 -1.370 355 HA VAL 11 HA VAL 11 -0.871 6.102 -3.651 356 HB VAL 11 HB VAL 11 -1.328 6.002 -0.672 357 1HG1 VAL 11 1HG1 VAL 11 -3.383 6.606 -2.826 358 2HG1 VAL 11 2HG1 VAL 11 -3.722 6.329 -1.101 359 3HG1 VAL 11 3HG1 VAL 11 -2.779 7.752 -1.606 360 1HG2 VAL 11 1HG2 VAL 11 -1.188 3.813 -1.444 361 2HG2 VAL 11 2HG2 VAL 11 -2.936 4.136 -1.542 362 3HG2 VAL 11 3HG2 VAL 11 -1.934 4.206 -3.012 363 H ALA 12 H ALA 12 1.093 7.872 -1.342 364 HA ALA 12 HA ALA 12 -0.276 10.366 -1.913 365 1HB ALA 12 1HB ALA 12 2.117 9.642 -0.175 366 2HB ALA 12 2HB ALA 12 1.414 11.272 -0.303 367 3HB ALA 12 3HB ALA 12 0.450 9.938 0.374 368 H ALA 13 H ALA 13 1.353 8.557 -3.898 369 HA ALA 13 HA ALA 13 3.310 10.597 -4.687 370 1HB ALA 13 1HB ALA 13 4.403 8.793 -5.918 371 2HB ALA 13 2HB ALA 13 4.148 8.290 -4.230 372 3HB ALA 13 3HB ALA 13 3.078 7.675 -5.513 373 H MET 14 H MET 14 0.278 9.008 -5.468 374 HA MET 14 HA MET 14 0.424 10.063 -8.170 375 1HB MET 14 1HB MET 14 -1.510 8.125 -6.784 376 2HB MET 14 2HB MET 14 -1.698 8.641 -8.448 377 1HG MET 14 1HG MET 14 -0.314 6.947 -9.062 378 2HG MET 14 2HG MET 14 1.001 7.800 -8.278 379 1HE MET 14 1HE MET 14 -1.441 4.296 -6.618 380 2HE MET 14 2HE MET 14 -2.246 5.805 -7.110 381 3HE MET 14 3HE MET 14 -1.338 4.851 -8.307 382 H SER 15 H SER 15 -1.973 10.771 -8.965 383 HA SER 15 HA SER 15 -2.511 13.045 -7.355 384 1HB SER 15 1HB SER 15 -4.448 13.112 -9.284 385 2HB SER 15 2HB SER 15 -2.818 13.714 -9.514 386 HG SER 15 HG SER 15 -4.069 11.467 -10.622 387 H VAL 16 H VAL 16 -4.821 13.652 -6.723 388 HA VAL 16 HA VAL 16 -5.874 11.760 -5.023 389 HB VAL 16 HB VAL 16 -7.050 14.232 -6.294 390 1HG1 VAL 16 1HG1 VAL 16 -8.721 14.147 -4.410 391 2HG1 VAL 16 2HG1 VAL 16 -8.939 12.900 -5.662 392 3HG1 VAL 16 3HG1 VAL 16 -8.194 12.475 -4.102 393 1HG2 VAL 16 1HG2 VAL 16 -5.142 14.686 -4.880 394 2HG2 VAL 16 2HG2 VAL 16 -6.621 15.198 -4.033 395 3HG2 VAL 16 3HG2 VAL 16 -5.815 13.679 -3.576 396 H MET 17 H MET 17 -6.817 12.634 -8.399 397 HA MET 17 HA MET 17 -9.088 11.145 -8.558 398 1HB MET 17 1HB MET 17 -6.971 12.128 -10.459 399 2HB MET 17 2HB MET 17 -8.024 10.877 -11.090 400 1HG MET 17 1HG MET 17 -9.358 12.683 -11.628 401 2HG MET 17 2HG MET 17 -9.923 12.472 -9.983 402 1HE MET 17 1HE MET 17 -9.787 16.287 -10.394 403 2HE MET 17 2HE MET 17 -10.659 14.817 -10.892 404 3HE MET 17 3HE MET 17 -10.430 15.175 -9.163 405 H ASP 18 H ASP 18 -5.662 10.114 -9.066 406 HA ASP 18 HA ASP 18 -6.297 7.595 -10.030 407 1HB ASP 18 1HB ASP 18 -4.029 8.944 -9.951 408 2HB ASP 18 2HB ASP 18 -3.813 8.188 -8.385 409 H VAL 19 H VAL 19 -6.241 9.040 -6.814 410 HA VAL 19 HA VAL 19 -5.978 6.515 -5.443 411 HB VAL 19 HB VAL 19 -6.457 9.356 -4.532 412 1HG1 VAL 19 1HG1 VAL 19 -5.961 8.496 -2.243 413 2HG1 VAL 19 2HG1 VAL 19 -7.492 7.886 -2.916 414 3HG1 VAL 19 3HG1 VAL 19 -6.053 6.838 -2.885 415 1HG2 VAL 19 1HG2 VAL 19 -4.099 8.936 -3.557 416 2HG2 VAL 19 2HG2 VAL 19 -4.027 7.573 -4.699 417 3HG2 VAL 19 3HG2 VAL 19 -4.249 9.231 -5.306 418 H VAL 20 H VAL 20 -8.497 8.722 -6.606 419 HA VAL 20 HA VAL 20 -10.571 7.748 -4.974 420 HB VAL 20 HB VAL 20 -10.408 9.229 -7.585 421 1HG1 VAL 20 1HG1 VAL 20 -12.880 8.155 -6.214 422 2HG1 VAL 20 2HG1 VAL 20 -12.929 9.585 -7.273 423 3HG1 VAL 20 3HG1 VAL 20 -12.401 8.013 -7.922 424 1HG2 VAL 20 1HG2 VAL 20 -9.854 10.386 -5.445 425 2HG2 VAL 20 2HG2 VAL 20 -11.250 11.091 -6.294 426 3HG2 VAL 20 3HG2 VAL 20 -11.506 10.047 -4.876 427 H GLU 21 H GLU 21 -9.384 6.874 -8.279 428 HA GLU 21 HA GLU 21 -11.353 4.955 -8.705 429 1HB GLU 21 1HB GLU 21 -8.605 5.443 -9.899 430 2HB GLU 21 2HB GLU 21 -9.584 4.086 -10.418 431 1HG GLU 21 1HG GLU 21 -11.296 5.483 -11.297 432 2HG GLU 21 2HG GLU 21 -10.794 6.865 -10.343 433 H LEU 22 H LEU 22 -8.014 4.792 -7.341 434 HA LEU 22 HA LEU 22 -7.842 2.036 -7.123 435 1HB LEU 22 1HB LEU 22 -6.007 3.678 -6.862 436 2HB LEU 22 2HB LEU 22 -6.666 4.144 -5.307 437 HG LEU 22 HG LEU 22 -6.405 1.618 -4.702 438 1HD1 LEU 22 1HD1 LEU 22 -4.356 1.806 -6.925 439 2HD1 LEU 22 2HD1 LEU 22 -4.668 0.421 -5.851 440 3HD1 LEU 22 3HD1 LEU 22 -5.897 0.921 -7.038 441 1HD2 LEU 22 1HD2 LEU 22 -4.140 3.605 -4.927 442 2HD2 LEU 22 2HD2 LEU 22 -5.167 3.246 -3.519 443 3HD2 LEU 22 3HD2 LEU 22 -3.982 2.044 -4.086 444 H ILE 23 H ILE 23 -8.834 4.431 -4.569 445 HA ILE 23 HA ILE 23 -9.491 2.505 -2.693 446 HB ILE 23 HB ILE 23 -10.355 5.357 -3.110 447 1HG1 ILE 23 1HG1 ILE 23 -7.949 4.680 -2.510 448 2HG1 ILE 23 2HG1 ILE 23 -8.726 5.923 -1.549 449 1HG2 ILE 23 1HG2 ILE 23 -11.121 3.464 -0.881 450 2HG2 ILE 23 2HG2 ILE 23 -11.159 5.235 -0.715 451 3HG2 ILE 23 3HG2 ILE 23 -12.187 4.433 -1.927 452 1HD1 ILE 23 1HD1 ILE 23 -8.756 2.981 -0.752 453 2HD1 ILE 23 2HD1 ILE 23 -7.496 4.120 -0.220 454 3HD1 ILE 23 3HD1 ILE 23 -9.191 4.384 0.254 455 H SER 24 H SER 24 -11.319 3.840 -5.450 456 HA SER 24 HA SER 24 -13.811 2.941 -4.616 457 1HB SER 24 1HB SER 24 -12.593 3.727 -7.266 458 2HB SER 24 2HB SER 24 -14.186 2.995 -7.253 459 HG SER 24 HG SER 24 -13.971 5.457 -7.071 460 H ALA 25 H ALA 25 -11.177 1.452 -6.580 461 HA ALA 25 HA ALA 25 -12.555 -0.789 -7.450 462 1HB ALA 25 1HB ALA 25 -9.648 -0.178 -6.858 463 2HB ALA 25 2HB ALA 25 -10.158 -1.771 -7.467 464 3HB ALA 25 3HB ALA 25 -10.461 -0.309 -8.436 465 H MET 26 H MET 26 -10.316 -0.502 -4.593 466 HA MET 26 HA MET 26 -10.743 -2.995 -3.617 467 1HB MET 26 1HB MET 26 -10.209 -0.318 -2.230 468 2HB MET 26 2HB MET 26 -10.191 -1.828 -1.341 469 1HG MET 26 1HG MET 26 -8.426 -2.708 -2.911 470 2HG MET 26 2HG MET 26 -8.422 -1.167 -3.746 471 1HE MET 26 1HE MET 26 -5.658 -1.707 -2.961 472 2HE MET 26 2HE MET 26 -6.283 -0.114 -3.452 473 3HE MET 26 3HE MET 26 -5.233 -0.256 -2.022 474 H GLU 27 H GLU 27 -12.665 0.005 -3.028 475 HA GLU 27 HA GLU 27 -14.233 -0.860 -1.007 476 1HB GLU 27 1HB GLU 27 -14.505 1.110 -3.223 477 2HB GLU 27 2HB GLU 27 -16.021 0.616 -2.497 478 1HG GLU 27 1HG GLU 27 -14.855 1.063 -0.201 479 2HG GLU 27 2HG GLU 27 -13.627 1.902 -1.128 480 H GLU 28 H GLU 28 -14.652 -1.436 -4.552 481 HA GLU 28 HA GLU 28 -17.084 -2.835 -4.123 482 1HB GLU 28 1HB GLU 28 -16.417 -1.501 -6.213 483 2HB GLU 28 2HB GLU 28 -15.363 -2.836 -6.635 484 1HG GLU 28 1HG GLU 28 -17.951 -3.924 -5.941 485 2HG GLU 28 2HG GLU 28 -18.201 -2.606 -7.068 486 H LYS 29 H LYS 29 -13.693 -3.728 -5.056 487 HA LYS 29 HA LYS 29 -14.069 -6.405 -5.446 488 1HB LYS 29 1HB LYS 29 -12.004 -5.293 -6.003 489 2HB LYS 29 2HB LYS 29 -11.691 -4.901 -4.325 490 1HG LYS 29 1HG LYS 29 -10.368 -6.817 -4.601 491 2HG LYS 29 2HG LYS 29 -11.834 -7.508 -3.934 492 1HD LYS 29 1HD LYS 29 -11.475 -8.913 -5.773 493 2HD LYS 29 2HD LYS 29 -12.581 -7.740 -6.460 494 1HE LYS 29 1HE LYS 29 -10.641 -6.449 -7.381 495 2HE LYS 29 2HE LYS 29 -9.535 -7.622 -6.694 496 1HZ LYS 29 1HZ LYS 29 -10.517 -9.304 -8.063 497 2HZ LYS 29 2HZ LYS 29 -11.631 -8.265 -8.652 498 3HZ LYS 29 3HZ LYS 29 -10.051 -8.058 -9.010 499 H PHE 30 H PHE 30 -12.813 -4.963 -2.351 500 HA PHE 30 HA PHE 30 -13.378 -7.383 -0.970 501 1HB PHE 30 1HB PHE 30 -12.639 -4.513 -0.144 502 2HB PHE 30 2HB PHE 30 -12.677 -5.847 0.992 503 HD1 PHE 30 1HD PHE 30 -10.779 -4.179 -1.582 504 HD2 PHE 30 2HD PHE 30 -11.052 -7.733 0.721 505 HE1 PHE 30 1HE PHE 30 -8.398 -4.732 -2.153 506 HE2 PHE 30 2HE PHE 30 -8.671 -8.286 0.150 507 HZ PHE 30 HZ PHE 30 -7.372 -6.779 -1.280 508 H GLY 31 H GLY 31 -15.397 -4.931 -2.080 509 1HA GLY 31 1HA GLY 31 -17.430 -4.158 -1.487 510 2HA GLY 31 2HA GLY 31 -17.697 -5.793 -0.915 511 H VAL 32 H VAL 32 -15.629 -3.025 0.237 512 HA VAL 32 HA VAL 32 -16.825 -3.437 2.886 513 HB VAL 32 HB VAL 32 -14.362 -3.805 2.568 514 1HG1 VAL 32 1HG1 VAL 32 -12.938 -2.211 1.824 515 2HG1 VAL 32 2HG1 VAL 32 -14.400 -1.546 1.056 516 3HG1 VAL 32 3HG1 VAL 32 -13.835 -0.890 2.611 517 1HG2 VAL 32 1HG2 VAL 32 -15.231 -1.609 4.478 518 2HG2 VAL 32 2HG2 VAL 32 -15.295 -3.363 4.772 519 3HG2 VAL 32 3HG2 VAL 32 -13.723 -2.545 4.605 520 H SER 33 H SER 33 -18.590 -2.171 1.392 521 HA SER 33 HA SER 33 -18.193 0.611 2.143 522 1HB SER 33 1HB SER 33 -17.870 0.147 -0.378 523 2HB SER 33 2HB SER 33 -19.582 -0.223 -0.433 524 HG SER 33 HG SER 33 -18.332 2.286 0.266 525 H ALA 34 H ALA 34 -19.496 0.044 4.045 526 HA ALA 34 HA ALA 34 -22.235 0.502 3.673 527 1HB ALA 34 1HB ALA 34 -22.372 -1.764 2.846 528 2HB ALA 34 2HB ALA 34 -21.402 -2.375 4.208 529 3HB ALA 34 3HB ALA 34 -23.042 -1.746 4.495 530 H ALA 35 H ALA 35 -21.147 2.103 5.174 531 HA ALA 35 HA ALA 35 -20.583 2.858 7.190 532 1HB ALA 35 1HB ALA 35 -22.845 0.928 7.802 533 2HB ALA 35 2HB ALA 35 -22.156 2.018 9.030 534 3HB ALA 35 3HB ALA 35 -22.930 2.691 7.576 535 H ALA 36 H ALA 36 -18.426 1.730 6.805 536 HA ALA 36 HA ALA 36 -17.689 -0.700 7.682 537 1HB ALA 36 1HB ALA 36 -16.019 0.612 6.705 538 2HB ALA 36 2HB ALA 36 -16.359 2.009 7.755 539 3HB ALA 36 3HB ALA 36 -15.518 0.585 8.413 540 H ALA 37 H ALA 37 -17.183 -1.729 9.642 541 HA ALA 37 HA ALA 37 -18.643 -0.812 11.886 542 1HB ALA 37 1HB ALA 37 -17.808 -2.838 12.933 543 2HB ALA 37 2HB ALA 37 -18.236 -3.206 11.244 544 3HB ALA 37 3HB ALA 37 -16.529 -2.994 11.705 Start of MODEL 5 1 1H SER 1 H SER 1 5.856 -1.442 -13.558 2 HA SER 1 HA SER 1 3.658 -1.374 -13.773 3 1HB SER 1 1HB SER 1 4.478 -3.807 -14.116 4 2HB SER 1 2HB SER 1 3.757 -4.161 -12.559 5 HG SER 1 HG SER 1 1.857 -2.842 -13.861 6 H ILE 2 H ILE 2 3.488 0.268 -11.931 7 HA ILE 2 HA ILE 2 2.238 -0.900 -9.558 8 HB ILE 2 HB ILE 2 3.152 1.943 -9.949 9 1HG1 ILE 2 1HG1 ILE 2 4.758 -0.369 -8.821 10 2HG1 ILE 2 2HG1 ILE 2 5.040 0.403 -10.369 11 1HG2 ILE 2 1HG2 ILE 2 1.902 0.426 -7.792 12 2HG2 ILE 2 2HG2 ILE 2 3.411 1.224 -7.289 13 3HG2 ILE 2 3HG2 ILE 2 2.092 2.183 -8.003 14 1HD1 ILE 2 1HD1 ILE 2 6.335 1.935 -9.325 15 2HD1 ILE 2 2HD1 ILE 2 4.893 2.518 -8.459 16 3HD1 ILE 2 3HD1 ILE 2 5.912 1.250 -7.737 17 H THR 3 H THR 3 0.506 -1.338 -11.443 18 HA THR 3 HA THR 3 -1.112 0.978 -12.020 19 HB THR 3 HB THR 3 -2.540 -0.869 -13.103 20 HG1 THR 3 1HG THR 3 -1.732 -2.965 -12.799 21 1HG2 THR 3 1HG2 THR 3 -0.903 -1.442 -14.858 22 2HG2 THR 3 2HG2 THR 3 -0.677 0.263 -14.400 23 3HG2 THR 3 3HG2 THR 3 0.444 -0.979 -13.790 24 H LYS 4 H LYS 4 -3.444 1.075 -11.493 25 HA LYS 4 HA LYS 4 -3.816 1.020 -8.755 26 1HB LYS 4 1HB LYS 4 -5.620 1.306 -11.137 27 2HB LYS 4 2HB LYS 4 -6.331 1.131 -9.545 28 1HG LYS 4 1HG LYS 4 -5.160 3.090 -8.708 29 2HG LYS 4 2HG LYS 4 -4.145 3.174 -10.134 30 1HD LYS 4 1HD LYS 4 -7.119 3.279 -10.575 31 2HD LYS 4 2HD LYS 4 -6.378 4.686 -9.838 32 1HE LYS 4 1HE LYS 4 -6.210 5.183 -12.138 33 2HE LYS 4 2HE LYS 4 -4.623 4.527 -11.785 34 1HZ LYS 4 1HZ LYS 4 -5.978 3.629 -13.754 35 2HZ LYS 4 2HZ LYS 4 -5.120 2.585 -12.838 36 3HZ LYS 4 3HZ LYS 4 -6.735 2.715 -12.633 37 H ASP 5 H ASP 5 -4.775 -1.362 -11.299 38 HA ASP 5 HA ASP 5 -6.257 -2.967 -9.630 39 1HB ASP 5 1HB ASP 5 -4.704 -3.426 -12.191 40 2HB ASP 5 2HB ASP 5 -5.439 -4.797 -11.383 41 H GLN 6 H GLN 6 -2.743 -2.867 -10.455 42 HA GLN 6 HA GLN 6 -2.026 -5.297 -9.408 43 1HB GLN 6 1HB GLN 6 -0.635 -2.733 -10.060 44 2HB GLN 6 2HB GLN 6 0.226 -3.809 -8.977 45 1HG GLN 6 1HG GLN 6 -0.994 -4.811 -11.581 46 2HG GLN 6 2HG GLN 6 0.613 -4.115 -11.529 47 1HE2 GLN 6 1HE2 GLN 6 0.629 -6.525 -12.405 48 2HE2 GLN 6 2HE2 GLN 6 1.134 -7.712 -11.248 49 H ILE 7 H ILE 7 -2.954 -2.307 -7.815 50 HA ILE 7 HA ILE 7 -1.696 -3.028 -5.323 51 HB ILE 7 HB ILE 7 -3.388 -0.743 -6.287 52 1HG1 ILE 7 1HG1 ILE 7 -0.780 -0.389 -4.904 53 2HG1 ILE 7 2HG1 ILE 7 -0.723 -1.157 -6.478 54 1HG2 ILE 7 1HG2 ILE 7 -2.829 -1.571 -3.462 55 2HG2 ILE 7 2HG2 ILE 7 -2.868 0.159 -3.880 56 3HG2 ILE 7 3HG2 ILE 7 -4.296 -0.862 -4.178 57 1HD1 ILE 7 1HD1 ILE 7 -2.217 0.772 -7.327 58 2HD1 ILE 7 2HD1 ILE 7 -1.859 1.579 -5.781 59 3HD1 ILE 7 3HD1 ILE 7 -0.538 1.191 -6.909 60 H ILE 8 H ILE 8 -4.854 -3.279 -6.946 61 HA ILE 8 HA ILE 8 -6.383 -3.836 -4.676 62 HB ILE 8 HB ILE 8 -6.721 -4.683 -7.555 63 1HG1 ILE 8 1HG1 ILE 8 -7.780 -2.298 -6.011 64 2HG1 ILE 8 2HG1 ILE 8 -6.589 -2.265 -7.296 65 1HG2 ILE 8 1HG2 ILE 8 -8.755 -4.661 -5.307 66 2HG2 ILE 8 2HG2 ILE 8 -9.072 -5.040 -7.017 67 3HG2 ILE 8 3HG2 ILE 8 -8.029 -6.108 -6.048 68 1HD1 ILE 8 1HD1 ILE 8 -8.486 -3.528 -8.682 69 2HD1 ILE 8 2HD1 ILE 8 -9.555 -2.788 -7.466 70 3HD1 ILE 8 3HD1 ILE 8 -8.529 -1.758 -8.493 71 H GLU 9 H GLU 9 -4.647 -6.020 -6.993 72 HA GLU 9 HA GLU 9 -5.441 -8.331 -5.645 73 1HB GLU 9 1HB GLU 9 -3.873 -9.484 -7.100 74 2HB GLU 9 2HB GLU 9 -4.668 -8.229 -8.030 75 1HG GLU 9 1HG GLU 9 -2.515 -7.695 -8.636 76 2HG GLU 9 2HG GLU 9 -2.537 -6.794 -7.133 77 H ALA 10 H ALA 10 -3.066 -5.895 -4.951 78 HA ALA 10 HA ALA 10 -1.265 -7.581 -3.517 79 1HB ALA 10 1HB ALA 10 -0.497 -5.506 -4.524 80 2HB ALA 10 2HB ALA 10 -1.697 -4.568 -3.602 81 3HB ALA 10 3HB ALA 10 -0.352 -5.370 -2.755 82 H VAL 11 H VAL 11 -4.120 -5.529 -2.760 83 HA VAL 11 HA VAL 11 -3.854 -5.758 0.038 84 HB VAL 11 HB VAL 11 -6.067 -5.013 -1.858 85 1HG1 VAL 11 1HG1 VAL 11 -7.128 -6.129 0.060 86 2HG1 VAL 11 2HG1 VAL 11 -6.250 -5.055 1.174 87 3HG1 VAL 11 3HG1 VAL 11 -7.461 -4.381 0.057 88 1HG2 VAL 11 1HG2 VAL 11 -5.772 -2.795 -0.692 89 2HG2 VAL 11 2HG2 VAL 11 -4.357 -3.493 0.132 90 3HG2 VAL 11 3HG2 VAL 11 -4.369 -3.341 -1.641 91 H ALA 12 H ALA 12 -5.146 -7.836 -2.521 92 HA ALA 12 HA ALA 12 -6.541 -9.508 -0.619 93 1HB ALA 12 1HB ALA 12 -6.040 -9.743 -3.614 94 2HB ALA 12 2HB ALA 12 -7.087 -10.822 -2.661 95 3HB ALA 12 3HB ALA 12 -7.506 -9.100 -2.834 96 H ALA 13 H ALA 13 -3.376 -8.943 -1.061 97 HA ALA 13 HA ALA 13 -2.601 -11.764 -1.175 98 1HB ALA 13 1HB ALA 13 -0.568 -9.584 -1.092 99 2HB ALA 13 2HB ALA 13 -0.627 -11.057 -2.089 100 3HB ALA 13 3HB ALA 13 -1.607 -9.641 -2.536 101 H MET 14 H MET 14 -2.852 -8.903 0.899 102 HA MET 14 HA MET 14 -1.321 -10.286 2.942 103 1HB MET 14 1HB MET 14 -2.365 -7.412 2.689 104 2HB MET 14 2HB MET 14 -1.506 -7.996 4.100 105 1HG MET 14 1HG MET 14 0.475 -7.589 3.070 106 2HG MET 14 2HG MET 14 0.066 -8.743 1.815 107 1HE MET 14 1HE MET 14 -1.207 -4.801 2.649 108 2HE MET 14 2HE MET 14 0.416 -5.398 3.070 109 3HE MET 14 3HE MET 14 0.205 -4.291 1.693 110 H SER 15 H SER 15 -2.253 -9.743 5.309 111 HA SER 15 HA SER 15 -4.793 -11.007 5.307 112 1HB SER 15 1HB SER 15 -4.354 -10.382 7.932 113 2HB SER 15 2HB SER 15 -3.693 -11.800 7.143 114 HG SER 15 HG SER 15 -1.896 -10.864 8.008 115 H VAL 16 H VAL 16 -6.590 -10.112 6.845 116 HA VAL 16 HA VAL 16 -7.406 -7.627 5.868 117 HB VAL 16 HB VAL 16 -8.312 -9.326 8.196 118 1HG1 VAL 16 1HG1 VAL 16 -9.012 -7.070 8.679 119 2HG1 VAL 16 2HG1 VAL 16 -9.596 -6.843 7.013 120 3HG1 VAL 16 3HG1 VAL 16 -10.424 -7.986 8.098 121 1HG2 VAL 16 1HG2 VAL 16 -8.510 -10.282 5.890 122 2HG2 VAL 16 2HG2 VAL 16 -10.069 -10.067 6.722 123 3HG2 VAL 16 3HG2 VAL 16 -9.566 -8.914 5.463 124 H MET 17 H MET 17 -5.896 -8.638 8.992 125 HA MET 17 HA MET 17 -6.104 -6.231 10.272 126 1HB MET 17 1HB MET 17 -4.266 -8.624 10.377 127 2HB MET 17 2HB MET 17 -3.726 -7.196 11.237 128 1HG MET 17 1HG MET 17 -5.142 -7.674 12.946 129 2HG MET 17 2HG MET 17 -6.513 -7.549 11.862 130 1HE MET 17 1HE MET 17 -7.436 -9.537 13.802 131 2HE MET 17 2HE MET 17 -6.454 -10.999 14.059 132 3HE MET 17 3HE MET 17 -5.783 -9.397 14.449 133 H ASP 18 H ASP 18 -3.520 -7.438 8.045 134 HA ASP 18 HA ASP 18 -1.774 -5.360 8.398 135 1HB ASP 18 1HB ASP 18 -1.331 -7.482 7.130 136 2HB ASP 18 2HB ASP 18 -2.373 -6.919 5.839 137 H VAL 19 H VAL 19 -4.765 -5.692 6.465 138 HA VAL 19 HA VAL 19 -4.237 -3.347 4.891 139 HB VAL 19 HB VAL 19 -6.612 -5.191 5.186 140 1HG1 VAL 19 1HG1 VAL 19 -6.213 -2.828 3.324 141 2HG1 VAL 19 2HG1 VAL 19 -7.461 -4.078 3.105 142 3HG1 VAL 19 3HG1 VAL 19 -7.485 -3.041 4.551 143 1HG2 VAL 19 1HG2 VAL 19 -4.460 -6.040 4.120 144 2HG2 VAL 19 2HG2 VAL 19 -5.934 -6.162 3.129 145 3HG2 VAL 19 3HG2 VAL 19 -4.756 -4.866 2.815 146 H VAL 20 H VAL 20 -5.883 -4.222 7.908 147 HA VAL 20 HA VAL 20 -7.514 -1.943 8.086 148 HB VAL 20 HB VAL 20 -6.387 -3.920 10.057 149 1HG1 VAL 20 1HG1 VAL 20 -8.041 -2.909 11.703 150 2HG1 VAL 20 2HG1 VAL 20 -6.573 -1.954 11.382 151 3HG1 VAL 20 3HG1 VAL 20 -8.116 -1.497 10.621 152 1HG2 VAL 20 1HG2 VAL 20 -9.306 -3.503 9.564 153 2HG2 VAL 20 2HG2 VAL 20 -8.346 -4.284 8.284 154 3HG2 VAL 20 3HG2 VAL 20 -8.402 -4.997 9.914 155 H GLU 21 H GLU 21 -4.165 -2.691 9.222 156 HA GLU 21 HA GLU 21 -3.804 -0.285 10.544 157 1HB GLU 21 1HB GLU 21 -1.914 -2.315 9.319 158 2HB GLU 21 2HB GLU 21 -1.288 -0.850 10.049 159 1HG GLU 21 1HG GLU 21 -2.867 -1.535 12.084 160 2HG GLU 21 2HG GLU 21 -2.784 -3.130 11.363 161 H LEU 22 H LEU 22 -3.052 -1.303 7.151 162 HA LEU 22 HA LEU 22 -1.814 1.023 6.330 163 1HB LEU 22 1HB LEU 22 -1.904 -1.123 5.112 164 2HB LEU 22 2HB LEU 22 -3.589 -0.829 4.733 165 HG LEU 22 HG LEU 22 -2.698 1.382 3.649 166 1HD1 LEU 22 1HD1 LEU 22 -0.307 0.554 4.630 167 2HD1 LEU 22 2HD1 LEU 22 -0.234 -0.099 2.976 168 3HD1 LEU 22 3HD1 LEU 22 -0.503 1.641 3.234 169 1HD2 LEU 22 1HD2 LEU 22 -2.477 0.260 1.512 170 2HD2 LEU 22 2HD2 LEU 22 -2.201 -1.299 2.327 171 3HD2 LEU 22 3HD2 LEU 22 -3.781 -0.491 2.464 172 H ILE 23 H ILE 23 -5.307 0.128 5.829 173 HA ILE 23 HA ILE 23 -6.098 2.529 4.796 174 HB ILE 23 HB ILE 23 -7.525 0.440 6.420 175 1HG1 ILE 23 1HG1 ILE 23 -6.650 -0.006 4.072 176 2HG1 ILE 23 2HG1 ILE 23 -8.344 -0.344 4.366 177 1HG2 ILE 23 1HG2 ILE 23 -8.908 2.204 6.944 178 2HG2 ILE 23 2HG2 ILE 23 -8.561 3.074 5.431 179 3HG2 ILE 23 3HG2 ILE 23 -9.620 1.644 5.412 180 1HD1 ILE 23 1HD1 ILE 23 -7.738 2.436 3.450 181 2HD1 ILE 23 2HD1 ILE 23 -7.458 1.142 2.259 182 3HD1 ILE 23 3HD1 ILE 23 -9.070 1.349 2.986 183 H SER 24 H SER 24 -5.637 1.575 8.227 184 HA SER 24 HA SER 24 -6.881 3.832 9.276 185 1HB SER 24 1HB SER 24 -5.019 1.707 10.295 186 2HB SER 24 2HB SER 24 -5.178 3.156 11.268 187 HG SER 24 HG SER 24 -7.071 2.449 11.951 188 H ALA 25 H ALA 25 -3.521 3.101 8.240 189 HA ALA 25 HA ALA 25 -2.295 5.332 9.389 190 1HB ALA 25 1HB ALA 25 -1.075 3.375 8.558 191 2HB ALA 25 2HB ALA 25 -1.609 3.722 6.896 192 3HB ALA 25 3HB ALA 25 -0.507 4.844 7.730 193 H MET 26 H MET 26 -3.294 4.803 5.926 194 HA MET 26 HA MET 26 -2.781 7.307 5.055 195 1HB MET 26 1HB MET 26 -4.992 5.320 4.320 196 2HB MET 26 2HB MET 26 -4.720 6.778 3.387 197 1HG MET 26 1HG MET 26 -2.394 6.080 2.898 198 2HG MET 26 2HG MET 26 -2.571 4.671 3.925 199 1HE MET 26 1HE MET 26 -4.790 5.412 -0.039 200 2HE MET 26 2HE MET 26 -5.409 6.130 1.467 201 3HE MET 26 3HE MET 26 -3.796 6.580 0.864 202 H GLU 27 H GLU 27 -5.706 6.107 6.775 203 HA GLU 27 HA GLU 27 -7.389 8.173 6.311 204 1HB GLU 27 1HB GLU 27 -7.013 6.195 8.521 205 2HB GLU 27 2HB GLU 27 -8.024 7.575 8.899 206 1HG GLU 27 1HG GLU 27 -9.063 6.964 6.463 207 2HG GLU 27 2HG GLU 27 -8.478 5.373 6.904 208 H GLU 28 H GLU 28 -4.911 7.896 8.950 209 HA GLU 28 HA GLU 28 -5.549 10.495 9.895 210 1HB GLU 28 1HB GLU 28 -4.793 8.764 11.454 211 2HB GLU 28 2HB GLU 28 -3.294 8.559 10.572 212 1HG GLU 28 1HG GLU 28 -2.421 10.637 11.290 213 2HG GLU 28 2HG GLU 28 -4.006 11.306 11.623 214 H LYS 29 H LYS 29 -2.817 8.963 8.077 215 HA LYS 29 HA LYS 29 -1.098 11.077 8.001 216 1HB LYS 29 1HB LYS 29 -0.494 8.886 7.198 217 2HB LYS 29 2HB LYS 29 -1.685 8.960 5.916 218 1HG LYS 29 1HG LYS 29 0.327 9.543 4.813 219 2HG LYS 29 2HG LYS 29 -0.429 11.096 5.106 220 1HD LYS 29 1HD LYS 29 1.239 10.230 7.381 221 2HD LYS 29 2HD LYS 29 2.159 10.338 5.893 222 1HE LYS 29 1HE LYS 29 1.453 12.662 5.547 223 2HE LYS 29 2HE LYS 29 0.333 12.573 6.891 224 1HZ LYS 29 1HZ LYS 29 1.990 12.762 8.365 225 2HZ LYS 29 2HZ LYS 29 3.070 11.906 7.488 226 3HZ LYS 29 3HZ LYS 29 2.783 13.472 7.126 227 H PHE 30 H PHE 30 -3.436 10.288 5.327 228 HA PHE 30 HA PHE 30 -3.053 12.868 4.204 229 1HB PHE 30 1HB PHE 30 -4.987 10.516 3.799 230 2HB PHE 30 2HB PHE 30 -5.059 11.941 2.782 231 HD1 PHE 30 1HD PHE 30 -3.214 12.454 1.231 232 HD2 PHE 30 2HD PHE 30 -3.234 8.893 3.539 233 HE1 PHE 30 1HE PHE 30 -1.458 11.471 -0.270 234 HE2 PHE 30 2HE PHE 30 -1.478 7.910 2.038 235 HZ PHE 30 HZ PHE 30 -0.611 9.211 0.151 236 H GLY 31 H GLY 31 -4.939 11.702 6.818 237 1HA GLY 31 1HA GLY 31 -6.805 12.466 7.862 238 2HA GLY 31 2HA GLY 31 -5.996 14.007 7.657 239 H VAL 32 H VAL 32 -7.237 11.996 4.953 240 HA VAL 32 HA VAL 32 -9.438 13.902 4.629 241 HB VAL 32 HB VAL 32 -7.355 13.100 2.600 242 1HG1 VAL 32 1HG1 VAL 32 -9.128 12.908 1.184 243 2HG1 VAL 32 2HG1 VAL 32 -10.193 13.912 2.198 244 3HG1 VAL 32 3HG1 VAL 32 -8.977 14.682 1.150 245 1HG2 VAL 32 1HG2 VAL 32 -7.430 15.250 4.279 246 2HG2 VAL 32 2HG2 VAL 32 -6.619 15.233 2.694 247 3HG2 VAL 32 3HG2 VAL 32 -8.261 15.904 2.847 248 H SER 33 H SER 33 -10.280 11.836 5.845 249 HA SER 33 HA SER 33 -11.428 10.211 3.757 250 1HB SER 33 1HB SER 33 -9.588 9.216 5.892 251 2HB SER 33 2HB SER 33 -11.033 8.259 5.631 252 HG SER 33 HG SER 33 -8.812 8.688 3.926 253 H ALA 34 H ALA 34 -13.477 9.197 4.437 254 HA ALA 34 HA ALA 34 -14.463 9.385 7.042 255 1HB ALA 34 1HB ALA 34 -14.421 11.880 5.768 256 2HB ALA 34 2HB ALA 34 -16.097 11.312 5.570 257 3HB ALA 34 3HB ALA 34 -15.385 11.435 7.197 258 H ALA 35 H ALA 35 -14.652 7.168 5.972 259 HA ALA 35 HA ALA 35 -17.346 6.864 5.060 260 1HB ALA 35 1HB ALA 35 -16.632 5.665 2.946 261 2HB ALA 35 2HB ALA 35 -16.390 7.428 2.921 262 3HB ALA 35 3HB ALA 35 -15.005 6.344 3.190 263 H ALA 36 H ALA 36 -17.922 5.303 6.496 264 HA ALA 36 HA ALA 36 -16.356 3.618 7.879 265 1HB ALA 36 1HB ALA 36 -18.352 2.177 8.070 266 2HB ALA 36 2HB ALA 36 -18.791 3.899 8.175 267 3HB ALA 36 3HB ALA 36 -19.081 2.996 6.668 268 H ALA 37 H ALA 37 -15.482 1.508 7.642 269 HA ALA 37 HA ALA 37 -15.764 0.050 5.235 270 1HB ALA 37 1HB ALA 37 -12.983 1.155 5.559 271 2HB ALA 37 2HB ALA 37 -13.790 0.521 4.105 272 3HB ALA 37 3HB ALA 37 -14.212 2.135 4.725 273 1H SER 1 H SER 1 10.709 -3.624 -1.167 274 HA SER 1 HA SER 1 10.531 -4.095 1.673 275 1HB SER 1 1HB SER 1 11.761 -1.625 0.405 276 2HB SER 1 2HB SER 1 11.020 -1.548 1.991 277 HG SER 1 HG SER 1 13.248 -3.207 1.180 278 H ILE 2 H ILE 2 8.317 -4.653 0.796 279 HA ILE 2 HA ILE 2 6.798 -2.302 -0.034 280 HB ILE 2 HB ILE 2 5.931 -5.190 0.009 281 1HG1 ILE 2 1HG1 ILE 2 7.196 -3.639 -2.269 282 2HG1 ILE 2 2HG1 ILE 2 7.951 -4.944 -1.376 283 1HG2 ILE 2 1HG2 ILE 2 3.949 -4.385 -0.570 284 2HG2 ILE 2 2HG2 ILE 2 4.581 -2.721 -0.523 285 3HG2 ILE 2 3HG2 ILE 2 4.678 -3.668 -2.027 286 1HD1 ILE 2 1HD1 ILE 2 6.144 -5.117 -3.620 287 2HD1 ILE 2 2HD1 ILE 2 6.984 -6.437 -2.772 288 3HD1 ILE 2 3HD1 ILE 2 5.381 -5.901 -2.215 289 H THR 3 H THR 3 7.457 -1.749 2.426 290 HA THR 3 HA THR 3 5.765 -3.021 4.367 291 HB THR 3 HB THR 3 6.768 -1.134 5.798 292 HG1 THR 3 1HG THR 3 8.062 0.321 4.645 293 1HG2 THR 3 1HG2 THR 3 9.262 -1.847 5.209 294 2HG2 THR 3 2HG2 THR 3 8.157 -3.050 5.916 295 3HG2 THR 3 3HG2 THR 3 8.467 -3.048 4.163 296 H LYS 4 H LYS 4 4.177 -1.834 5.702 297 HA LYS 4 HA LYS 4 2.162 -0.801 4.119 298 1HB LYS 4 1HB LYS 4 2.716 -0.895 7.064 299 2HB LYS 4 2HB LYS 4 1.385 0.087 6.487 300 1HG LYS 4 1HG LYS 4 0.101 -1.754 6.171 301 2HG LYS 4 2HG LYS 4 1.300 -2.452 5.101 302 1HD LYS 4 1HD LYS 4 1.230 -4.052 6.814 303 2HD LYS 4 2HD LYS 4 2.585 -3.064 7.323 304 1HE LYS 4 1HE LYS 4 0.396 -1.735 8.456 305 2HE LYS 4 2HE LYS 4 -0.062 -3.420 8.597 306 1HZ LYS 4 1HZ LYS 4 1.189 -3.025 10.463 307 2HZ LYS 4 2HZ LYS 4 2.294 -3.710 9.474 308 3HZ LYS 4 3HZ LYS 4 2.290 -2.092 9.698 309 H ASP 5 H ASP 5 4.689 0.872 6.083 310 HA ASP 5 HA ASP 5 3.726 3.412 5.749 311 1HB ASP 5 1HB ASP 5 6.483 2.228 6.156 312 2HB ASP 5 2HB ASP 5 6.339 3.951 5.869 313 H GLN 6 H GLN 6 5.943 1.385 3.728 314 HA GLN 6 HA GLN 6 6.715 3.352 1.966 315 1HB GLN 6 1HB GLN 6 6.607 0.353 1.931 316 2HB GLN 6 2HB GLN 6 6.849 1.153 0.391 317 1HG GLN 6 1HG GLN 6 8.515 2.202 2.640 318 2HG GLN 6 2HG GLN 6 8.875 0.557 2.153 319 1HE2 GLN 6 1HE2 GLN 6 8.647 3.898 1.123 320 2HE2 GLN 6 2HE2 GLN 6 9.597 3.780 -0.321 321 H ILE 7 H ILE 7 3.675 1.624 2.315 322 HA ILE 7 HA ILE 7 2.824 2.151 -0.380 323 HB ILE 7 HB ILE 7 1.467 1.006 2.056 324 1HG1 ILE 7 1HG1 ILE 7 3.302 -0.272 0.784 325 2HG1 ILE 7 2HG1 ILE 7 1.787 -1.092 1.106 326 1HG2 ILE 7 1HG2 ILE 7 -0.356 0.360 0.444 327 2HG2 ILE 7 2HG2 ILE 7 -0.273 2.090 0.854 328 3HG2 ILE 7 3HG2 ILE 7 0.354 1.515 -0.710 329 1HD1 ILE 7 1HD1 ILE 7 2.300 0.401 -1.500 330 2HD1 ILE 7 2HD1 ILE 7 2.696 -1.321 -1.281 331 3HD1 ILE 7 3HD1 ILE 7 1.008 -0.772 -1.151 332 H ILE 8 H ILE 8 2.705 3.691 2.803 333 HA ILE 8 HA ILE 8 0.561 5.412 2.331 334 HB ILE 8 HB ILE 8 3.012 5.668 4.072 335 1HG1 ILE 8 1HG1 ILE 8 1.434 3.745 4.479 336 2HG1 ILE 8 2HG1 ILE 8 1.679 4.826 5.835 337 1HG2 ILE 8 1HG2 ILE 8 2.141 7.890 3.630 338 2HG2 ILE 8 2HG2 ILE 8 0.495 7.357 4.050 339 3HG2 ILE 8 3HG2 ILE 8 1.763 7.400 5.299 340 1HD1 ILE 8 1HD1 ILE 8 -0.587 5.482 3.974 341 2HD1 ILE 8 2HD1 ILE 8 -0.781 4.070 5.042 342 3HD1 ILE 8 3HD1 ILE 8 -0.475 5.679 5.740 343 H GLU 9 H GLU 9 4.080 5.660 1.584 344 HA GLU 9 HA GLU 9 3.769 8.285 0.566 345 1HB GLU 9 1HB GLU 9 6.023 6.253 0.567 346 2HB GLU 9 2HB GLU 9 6.169 7.752 -0.329 347 1HG GLU 9 1HG GLU 9 5.280 7.854 2.563 348 2HG GLU 9 2HG GLU 9 6.978 7.608 2.205 349 H ALA 10 H ALA 10 3.038 5.147 -0.608 350 HA ALA 10 HA ALA 10 3.726 5.620 -3.347 351 1HB ALA 10 1HB ALA 10 1.968 3.500 -2.046 352 2HB ALA 10 2HB ALA 10 2.630 3.452 -3.698 353 3HB ALA 10 3HB ALA 10 3.725 3.370 -2.297 354 H VAL 11 H VAL 11 0.836 5.892 -1.239 355 HA VAL 11 HA VAL 11 -0.912 6.427 -3.433 356 HB VAL 11 HB VAL 11 -1.131 6.627 -0.431 357 1HG1 VAL 11 1HG1 VAL 11 -2.819 8.075 -0.721 358 2HG1 VAL 11 2HG1 VAL 11 -2.843 7.825 -2.483 359 3HG1 VAL 11 3HG1 VAL 11 -3.724 6.708 -1.414 360 1HG2 VAL 11 1HG2 VAL 11 -2.093 4.681 -2.530 361 2HG2 VAL 11 2HG2 VAL 11 -1.149 4.367 -1.053 362 3HG2 VAL 11 3HG2 VAL 11 -2.875 4.787 -0.934 363 H ALA 12 H ALA 12 1.229 8.270 -1.291 364 HA ALA 12 HA ALA 12 0.022 10.787 -1.984 365 1HB ALA 12 1HB ALA 12 1.656 9.792 0.070 366 2HB ALA 12 2HB ALA 12 2.709 10.896 -0.846 367 3HB ALA 12 3HB ALA 12 1.169 11.486 -0.176 368 H ALA 13 H ALA 13 1.680 8.580 -3.778 369 HA ALA 13 HA ALA 13 3.416 10.535 -5.076 370 1HB ALA 13 1HB ALA 13 4.186 8.195 -4.407 371 2HB ALA 13 2HB ALA 13 3.103 7.573 -5.675 372 3HB ALA 13 3HB ALA 13 4.458 8.643 -6.109 373 H MET 14 H MET 14 0.334 8.851 -5.367 374 HA MET 14 HA MET 14 0.202 9.539 -8.177 375 1HB MET 14 1HB MET 14 -1.702 7.960 -6.358 376 2HB MET 14 2HB MET 14 -1.905 8.137 -8.089 377 1HG MET 14 1HG MET 14 0.203 6.942 -8.519 378 2HG MET 14 2HG MET 14 0.580 6.903 -6.809 379 1HE MET 14 1HE MET 14 1.001 4.637 -8.025 380 2HE MET 14 2HE MET 14 0.476 3.865 -6.509 381 3HE MET 14 3HE MET 14 -0.189 3.314 -8.065 382 H SER 15 H SER 15 -2.115 10.334 -8.912 383 HA SER 15 HA SER 15 -2.539 12.747 -7.478 384 1HB SER 15 1HB SER 15 -4.529 12.715 -9.355 385 2HB SER 15 2HB SER 15 -2.893 13.253 -9.674 386 HG SER 15 HG SER 15 -4.085 10.696 -10.261 387 H VAL 16 H VAL 16 -4.832 13.472 -6.866 388 HA VAL 16 HA VAL 16 -5.893 11.725 -5.000 389 HB VAL 16 HB VAL 16 -7.207 14.077 -6.375 390 1HG1 VAL 16 1HG1 VAL 16 -8.825 14.082 -4.770 391 2HG1 VAL 16 2HG1 VAL 16 -8.473 12.338 -4.768 392 3HG1 VAL 16 3HG1 VAL 16 -7.755 13.392 -3.527 393 1HG2 VAL 16 1HG2 VAL 16 -6.338 15.105 -4.054 394 2HG2 VAL 16 2HG2 VAL 16 -5.076 13.873 -4.300 395 3HG2 VAL 16 3HG2 VAL 16 -5.358 15.119 -5.540 396 H MET 17 H MET 17 -6.885 12.451 -8.395 397 HA MET 17 HA MET 17 -9.235 11.041 -8.362 398 1HB MET 17 1HB MET 17 -7.204 11.879 -10.439 399 2HB MET 17 2HB MET 17 -8.410 10.714 -10.947 400 1HG MET 17 1HG MET 17 -9.310 13.194 -9.459 401 2HG MET 17 2HG MET 17 -8.887 13.330 -11.155 402 1HE MET 17 1HE MET 17 -10.182 10.579 -12.677 403 2HE MET 17 2HE MET 17 -11.451 11.743 -13.124 404 3HE MET 17 3HE MET 17 -9.765 12.287 -12.951 405 H ASP 18 H ASP 18 -5.880 9.928 -9.153 406 HA ASP 18 HA ASP 18 -6.546 7.421 -10.007 407 1HB ASP 18 1HB ASP 18 -4.278 8.444 -10.159 408 2HB ASP 18 2HB ASP 18 -4.097 8.326 -8.420 409 H VAL 19 H VAL 19 -6.302 8.844 -6.747 410 HA VAL 19 HA VAL 19 -6.159 6.323 -5.398 411 HB VAL 19 HB VAL 19 -6.580 9.177 -4.503 412 1HG1 VAL 19 1HG1 VAL 19 -6.524 6.614 -2.912 413 2HG1 VAL 19 2HG1 VAL 19 -5.982 8.152 -2.199 414 3HG1 VAL 19 3HG1 VAL 19 -7.651 7.987 -2.798 415 1HG2 VAL 19 1HG2 VAL 19 -4.296 9.046 -3.712 416 2HG2 VAL 19 2HG2 VAL 19 -4.194 7.329 -4.170 417 3HG2 VAL 19 3HG2 VAL 19 -4.346 8.578 -5.429 418 H VAL 20 H VAL 20 -8.671 8.753 -6.242 419 HA VAL 20 HA VAL 20 -10.740 7.648 -4.745 420 HB VAL 20 HB VAL 20 -10.579 9.294 -7.256 421 1HG1 VAL 20 1HG1 VAL 20 -13.092 8.288 -5.886 422 2HG1 VAL 20 2HG1 VAL 20 -13.054 9.648 -7.034 423 3HG1 VAL 20 3HG1 VAL 20 -12.590 8.015 -7.572 424 1HG2 VAL 20 1HG2 VAL 20 -11.748 10.936 -5.641 425 2HG2 VAL 20 2HG2 VAL 20 -11.255 9.805 -4.358 426 3HG2 VAL 20 3HG2 VAL 20 -10.023 10.585 -5.379 427 H GLU 21 H GLU 21 -9.572 6.961 -8.098 428 HA GLU 21 HA GLU 21 -11.581 5.124 -8.658 429 1HB GLU 21 1HB GLU 21 -8.811 5.623 -9.791 430 2HB GLU 21 2HB GLU 21 -9.798 4.305 -10.393 431 1HG GLU 21 1HG GLU 21 -11.406 5.735 -11.321 432 2HG GLU 21 2HG GLU 21 -11.089 7.020 -10.172 433 H LEU 22 H LEU 22 -8.258 4.775 -7.287 434 HA LEU 22 HA LEU 22 -8.139 2.017 -7.264 435 1HB LEU 22 1HB LEU 22 -6.268 3.541 -6.843 436 2HB LEU 22 2HB LEU 22 -6.973 4.001 -5.307 437 HG LEU 22 HG LEU 22 -6.414 1.101 -5.786 438 1HD1 LEU 22 1HD1 LEU 22 -4.294 1.568 -6.375 439 2HD1 LEU 22 2HD1 LEU 22 -4.364 3.229 -5.737 440 3HD1 LEU 22 3HD1 LEU 22 -4.082 1.862 -4.632 441 1HD2 LEU 22 1HD2 LEU 22 -7.444 1.453 -3.735 442 2HD2 LEU 22 2HD2 LEU 22 -5.717 1.390 -3.309 443 3HD2 LEU 22 3HD2 LEU 22 -6.549 2.960 -3.425 444 H ILE 23 H ILE 23 -9.038 4.156 -4.461 445 HA ILE 23 HA ILE 23 -9.848 2.198 -2.766 446 HB ILE 23 HB ILE 23 -10.778 5.025 -3.179 447 1HG1 ILE 23 1HG1 ILE 23 -9.229 3.863 -0.863 448 2HG1 ILE 23 2HG1 ILE 23 -8.430 4.363 -2.340 449 1HG2 ILE 23 1HG2 ILE 23 -12.700 4.201 -2.188 450 2HG2 ILE 23 2HG2 ILE 23 -11.819 2.982 -1.237 451 3HG2 ILE 23 3HG2 ILE 23 -11.731 4.700 -0.781 452 1HD1 ILE 23 1HD1 ILE 23 -8.351 6.283 -0.927 453 2HD1 ILE 23 2HD1 ILE 23 -9.675 6.623 -2.067 454 3HD1 ILE 23 3HD1 ILE 23 -10.042 6.075 -0.414 455 H SER 24 H SER 24 -11.895 3.907 -5.229 456 HA SER 24 HA SER 24 -14.224 2.632 -4.591 457 1HB SER 24 1HB SER 24 -13.135 4.057 -6.981 458 2HB SER 24 2HB SER 24 -14.525 3.033 -7.284 459 HG SER 24 HG SER 24 -15.636 4.735 -6.592 460 H ALA 25 H ALA 25 -11.461 1.583 -6.608 461 HA ALA 25 HA ALA 25 -12.713 -0.458 -8.010 462 1HB ALA 25 1HB ALA 25 -9.847 -0.567 -7.040 463 2HB ALA 25 2HB ALA 25 -10.524 -1.116 -8.593 464 3HB ALA 25 3HB ALA 25 -10.367 0.625 -8.256 465 H MET 26 H MET 26 -10.669 -0.714 -5.007 466 HA MET 26 HA MET 26 -11.011 -3.365 -4.620 467 1HB MET 26 1HB MET 26 -10.756 -1.044 -2.639 468 2HB MET 26 2HB MET 26 -10.681 -2.713 -2.111 469 1HG MET 26 1HG MET 26 -8.724 -3.139 -3.544 470 2HG MET 26 2HG MET 26 -8.852 -1.547 -4.264 471 1HE MET 26 1HE MET 26 -6.040 -2.355 -2.984 472 2HE MET 26 2HE MET 26 -6.561 -0.878 -3.829 473 3HE MET 26 3HE MET 26 -5.745 -0.760 -2.252 474 H GLU 27 H GLU 27 -13.190 -0.674 -3.624 475 HA GLU 27 HA GLU 27 -14.822 -2.003 -1.932 476 1HB GLU 27 1HB GLU 27 -15.081 0.330 -3.756 477 2HB GLU 27 2HB GLU 27 -16.608 -0.395 -3.293 478 1HG GLU 27 1HG GLU 27 -16.329 1.057 -1.502 479 2HG GLU 27 2HG GLU 27 -15.524 -0.354 -0.845 480 H GLU 28 H GLU 28 -14.878 -1.987 -5.539 481 HA GLU 28 HA GLU 28 -17.224 -3.598 -5.587 482 1HB GLU 28 1HB GLU 28 -16.442 -1.847 -7.342 483 2HB GLU 28 2HB GLU 28 -15.346 -3.086 -7.921 484 1HG GLU 28 1HG GLU 28 -17.556 -4.599 -7.906 485 2HG GLU 28 2HG GLU 28 -18.368 -3.048 -7.978 486 H LYS 29 H LYS 29 -13.698 -4.046 -6.304 487 HA LYS 29 HA LYS 29 -13.804 -6.640 -7.187 488 1HB LYS 29 1HB LYS 29 -11.817 -5.285 -7.376 489 2HB LYS 29 2HB LYS 29 -11.656 -5.172 -5.636 490 1HG LYS 29 1HG LYS 29 -10.240 -6.957 -5.890 491 2HG LYS 29 2HG LYS 29 -11.721 -7.895 -5.909 492 1HD LYS 29 1HD LYS 29 -11.642 -7.231 -8.537 493 2HD LYS 29 2HD LYS 29 -9.926 -7.127 -8.197 494 1HE LYS 29 1HE LYS 29 -10.134 -9.389 -8.781 495 2HE LYS 29 2HE LYS 29 -10.261 -9.480 -7.036 496 1HZ LYS 29 1HZ LYS 29 -12.069 -10.653 -7.731 497 2HZ LYS 29 2HZ LYS 29 -12.753 -9.185 -7.520 498 3HZ LYS 29 3HZ LYS 29 -12.375 -9.701 -9.022 499 H PHE 30 H PHE 30 -13.036 -5.583 -3.790 500 HA PHE 30 HA PHE 30 -13.330 -8.239 -2.838 501 1HB PHE 30 1HB PHE 30 -13.132 -5.428 -1.619 502 2HB PHE 30 2HB PHE 30 -13.241 -6.850 -0.601 503 HD1 PHE 30 1HD PHE 30 -11.119 -4.982 -2.923 504 HD2 PHE 30 2HD PHE 30 -11.377 -8.393 -0.412 505 HE1 PHE 30 1HE PHE 30 -8.631 -5.277 -3.069 506 HE2 PHE 30 2HE PHE 30 -8.889 -8.688 -0.557 507 HZ PHE 30 HZ PHE 30 -7.545 -7.126 -1.884 508 H GLY 31 H GLY 31 -15.595 -5.860 -3.761 509 1HA GLY 31 1HA GLY 31 -17.783 -5.521 -3.304 510 2HA GLY 31 2HA GLY 31 -17.842 -7.272 -3.272 511 H VAL 32 H VAL 32 -16.397 -4.796 -1.028 512 HA VAL 32 HA VAL 32 -18.113 -5.931 1.072 513 HB VAL 32 HB VAL 32 -15.270 -4.915 1.228 514 1HG1 VAL 32 1HG1 VAL 32 -17.295 -4.833 3.225 515 2HG1 VAL 32 2HG1 VAL 32 -16.163 -6.134 3.667 516 3HG1 VAL 32 3HG1 VAL 32 -15.558 -4.482 3.395 517 1HG2 VAL 32 1HG2 VAL 32 -15.230 -7.385 2.333 518 2HG2 VAL 32 2HG2 VAL 32 -16.532 -7.603 1.138 519 3HG2 VAL 32 3HG2 VAL 32 -14.918 -7.070 0.609 520 H SER 33 H SER 33 -19.586 -4.218 -0.009 521 HA SER 33 HA SER 33 -19.159 -1.779 1.491 522 1HB SER 33 1HB SER 33 -19.625 -1.972 -1.503 523 2HB SER 33 2HB SER 33 -20.103 -0.541 -0.613 524 HG SER 33 HG SER 33 -17.764 -0.626 0.237 525 H ALA 34 H ALA 34 -20.795 -3.341 2.681 526 HA ALA 34 HA ALA 34 -23.347 -2.237 2.419 527 1HB ALA 34 1HB ALA 34 -23.715 -3.505 0.448 528 2HB ALA 34 2HB ALA 34 -22.896 -4.937 1.115 529 3HB ALA 34 3HB ALA 34 -24.489 -4.450 1.743 530 H ALA 35 H ALA 35 -21.937 -2.197 4.603 531 HA ALA 35 HA ALA 35 -21.561 -2.992 6.658 532 1HB ALA 35 1HB ALA 35 -24.467 -3.243 6.035 533 2HB ALA 35 2HB ALA 35 -23.907 -4.033 7.529 534 3HB ALA 35 3HB ALA 35 -23.644 -2.289 7.292 535 H ALA 36 H ALA 36 -19.972 -4.608 6.213 536 HA ALA 36 HA ALA 36 -19.149 -6.665 5.978 537 1HB ALA 36 1HB ALA 36 -19.814 -8.177 7.734 538 2HB ALA 36 2HB ALA 36 -19.959 -6.522 8.372 539 3HB ALA 36 3HB ALA 36 -21.415 -7.411 7.865 540 H ALA 37 H ALA 37 -19.567 -7.061 3.756 541 HA ALA 37 HA ALA 37 -22.109 -8.241 3.048 542 1HB ALA 37 1HB ALA 37 -21.183 -8.145 0.764 543 2HB ALA 37 2HB ALA 37 -21.006 -6.578 1.588 544 3HB ALA 37 3HB ALA 37 -19.602 -7.658 1.419 Start of MODEL 6 1 1H SER 1 H SER 1 6.153 -1.971 -14.652 2 HA SER 1 HA SER 1 3.944 -1.999 -14.658 3 1HB SER 1 1HB SER 1 4.718 -4.379 -15.016 4 2HB SER 1 2HB SER 1 4.428 -4.696 -13.317 5 HG SER 1 HG SER 1 2.153 -3.675 -14.014 6 H ILE 2 H ILE 2 3.872 -0.231 -12.933 7 HA ILE 2 HA ILE 2 2.792 -1.289 -10.418 8 HB ILE 2 HB ILE 2 3.836 1.492 -10.919 9 1HG1 ILE 2 1HG1 ILE 2 5.355 -0.950 -9.964 10 2HG1 ILE 2 2HG1 ILE 2 5.656 -0.024 -11.421 11 1HG2 ILE 2 1HG2 ILE 2 3.834 1.750 -8.586 12 2HG2 ILE 2 2HG2 ILE 2 2.285 0.957 -8.961 13 3HG2 ILE 2 3HG2 ILE 2 3.636 0.004 -8.302 14 1HD1 ILE 2 1HD1 ILE 2 6.008 0.898 -8.539 15 2HD1 ILE 2 2HD1 ILE 2 7.260 0.733 -9.793 16 3HD1 ILE 2 3HD1 ILE 2 6.038 2.022 -9.919 17 H THR 3 H THR 3 0.901 -1.687 -12.103 18 HA THR 3 HA THR 3 -0.605 0.718 -12.670 19 HB THR 3 HB THR 3 -2.187 -1.055 -13.647 20 HG1 THR 3 1HG THR 3 -1.316 -3.218 -13.521 21 1HG2 THR 3 1HG2 THR 3 -0.732 -1.692 -15.497 22 2HG2 THR 3 2HG2 THR 3 -0.251 -0.050 -15.006 23 3HG2 THR 3 3HG2 THR 3 0.724 -1.451 -14.502 24 H LYS 4 H LYS 4 -2.884 0.967 -12.006 25 HA LYS 4 HA LYS 4 -3.098 0.942 -9.247 26 1HB LYS 4 1HB LYS 4 -5.000 1.368 -11.527 27 2HB LYS 4 2HB LYS 4 -5.643 1.224 -9.903 28 1HG LYS 4 1HG LYS 4 -4.802 3.255 -9.250 29 2HG LYS 4 2HG LYS 4 -3.271 2.996 -10.062 30 1HD LYS 4 1HD LYS 4 -4.239 4.787 -11.276 31 2HD LYS 4 2HD LYS 4 -4.569 3.391 -12.283 32 1HE LYS 4 1HE LYS 4 -6.862 3.221 -11.361 33 2HE LYS 4 2HE LYS 4 -6.541 4.534 -10.246 34 1HZ LYS 4 1HZ LYS 4 -7.226 4.658 -12.981 35 2HZ LYS 4 2HZ LYS 4 -7.254 5.840 -11.855 36 3HZ LYS 4 3HZ LYS 4 -5.878 5.530 -12.678 37 H ASP 5 H ASP 5 -4.354 -1.365 -11.728 38 HA ASP 5 HA ASP 5 -5.840 -2.895 -10.015 39 1HB ASP 5 1HB ASP 5 -4.212 -4.055 -12.308 40 2HB ASP 5 2HB ASP 5 -5.781 -4.586 -11.734 41 H GLN 6 H GLN 6 -2.357 -3.081 -11.004 42 HA GLN 6 HA GLN 6 -1.723 -5.462 -9.849 43 1HB GLN 6 1HB GLN 6 -0.239 -2.993 -10.628 44 2HB GLN 6 2HB GLN 6 0.596 -4.040 -9.497 45 1HG GLN 6 1HG GLN 6 -0.674 -5.098 -12.059 46 2HG GLN 6 2HG GLN 6 0.977 -4.513 -12.007 47 1HE2 GLN 6 1HE2 GLN 6 1.028 -6.886 -12.776 48 2HE2 GLN 6 2HE2 GLN 6 1.319 -8.095 -11.570 49 H ILE 7 H ILE 7 -2.382 -2.331 -8.349 50 HA ILE 7 HA ILE 7 -1.110 -3.038 -5.870 51 HB ILE 7 HB ILE 7 -2.750 -0.702 -6.824 52 1HG1 ILE 7 1HG1 ILE 7 0.069 -0.626 -5.780 53 2HG1 ILE 7 2HG1 ILE 7 -0.238 -1.156 -7.421 54 1HG2 ILE 7 1HG2 ILE 7 -3.418 -0.876 -4.570 55 2HG2 ILE 7 2HG2 ILE 7 -1.780 -1.317 -4.031 56 3HG2 ILE 7 3HG2 ILE 7 -2.116 0.338 -4.592 57 1HD1 ILE 7 1HD1 ILE 7 -1.352 1.453 -6.306 58 2HD1 ILE 7 2HD1 ILE 7 0.212 1.343 -7.149 59 3HD1 ILE 7 3HD1 ILE 7 -1.293 0.938 -8.009 60 H ILE 8 H ILE 8 -4.348 -3.140 -7.356 61 HA ILE 8 HA ILE 8 -5.821 -3.552 -5.031 62 HB ILE 8 HB ILE 8 -6.272 -4.517 -7.856 63 1HG1 ILE 8 1HG1 ILE 8 -6.045 -2.091 -7.692 64 2HG1 ILE 8 2HG1 ILE 8 -7.691 -2.550 -8.082 65 1HG2 ILE 8 1HG2 ILE 8 -8.017 -4.590 -5.406 66 2HG2 ILE 8 2HG2 ILE 8 -8.722 -4.468 -7.036 67 3HG2 ILE 8 3HG2 ILE 8 -7.701 -5.862 -6.610 68 1HD1 ILE 8 1HD1 ILE 8 -7.821 -0.841 -6.380 69 2HD1 ILE 8 2HD1 ILE 8 -8.239 -2.381 -5.592 70 3HD1 ILE 8 3HD1 ILE 8 -6.621 -1.677 -5.365 71 H GLU 9 H GLU 9 -4.049 -5.839 -7.190 72 HA GLU 9 HA GLU 9 -4.920 -8.100 -5.781 73 1HB GLU 9 1HB GLU 9 -2.591 -7.634 -7.688 74 2HB GLU 9 2HB GLU 9 -2.984 -9.213 -7.039 75 1HG GLU 9 1HG GLU 9 -5.159 -9.221 -8.096 76 2HG GLU 9 2HG GLU 9 -5.063 -7.513 -8.475 77 H ALA 10 H ALA 10 -2.666 -5.608 -5.040 78 HA ALA 10 HA ALA 10 -0.820 -7.232 -3.576 79 1HB ALA 10 1HB ALA 10 -0.431 -4.954 -4.745 80 2HB ALA 10 2HB ALA 10 -1.214 -4.239 -3.316 81 3HB ALA 10 3HB ALA 10 0.281 -5.187 -3.130 82 H VAL 11 H VAL 11 -3.677 -5.152 -2.862 83 HA VAL 11 HA VAL 11 -3.422 -5.466 -0.050 84 HB VAL 11 HB VAL 11 -5.583 -4.478 -1.904 85 1HG1 VAL 11 1HG1 VAL 11 -5.654 -4.571 1.132 86 2HG1 VAL 11 2HG1 VAL 11 -6.807 -3.695 0.097 87 3HG1 VAL 11 3HG1 VAL 11 -6.712 -5.471 0.018 88 1HG2 VAL 11 1HG2 VAL 11 -3.856 -2.897 -1.806 89 2HG2 VAL 11 2HG2 VAL 11 -5.021 -2.323 -0.589 90 3HG2 VAL 11 3HG2 VAL 11 -3.554 -3.190 -0.076 91 H ALA 12 H ALA 12 -4.699 -7.393 -2.688 92 HA ALA 12 HA ALA 12 -6.329 -8.985 -0.891 93 1HB ALA 12 1HB ALA 12 -6.941 -8.298 -3.297 94 2HB ALA 12 2HB ALA 12 -5.737 -9.499 -3.821 95 3HB ALA 12 3HB ALA 12 -7.150 -10.012 -2.868 96 H ALA 13 H ALA 13 -3.141 -8.644 -1.111 97 HA ALA 13 HA ALA 13 -2.560 -11.510 -1.329 98 1HB ALA 13 1HB ALA 13 -0.322 -10.875 -1.841 99 2HB ALA 13 2HB ALA 13 -1.354 -9.759 -2.766 100 3HB ALA 13 3HB ALA 13 -0.578 -9.213 -1.260 101 H MET 14 H MET 14 -2.719 -8.714 0.827 102 HA MET 14 HA MET 14 -1.242 -10.176 2.845 103 1HB MET 14 1HB MET 14 -2.370 -7.320 2.806 104 2HB MET 14 2HB MET 14 -1.343 -7.969 4.069 105 1HG MET 14 1HG MET 14 0.573 -7.798 2.793 106 2HG MET 14 2HG MET 14 -0.240 -8.273 1.315 107 1HE MET 14 1HE MET 14 1.936 -5.925 1.958 108 2HE MET 14 2HE MET 14 1.447 -6.270 0.281 109 3HE MET 14 3HE MET 14 1.380 -4.603 0.904 110 H SER 15 H SER 15 -2.184 -9.835 5.207 111 HA SER 15 HA SER 15 -4.724 -11.080 5.124 112 1HB SER 15 1HB SER 15 -4.309 -10.591 7.782 113 2HB SER 15 2HB SER 15 -3.633 -11.962 6.924 114 HG SER 15 HG SER 15 -2.195 -10.338 8.253 115 H VAL 16 H VAL 16 -6.550 -10.280 6.662 116 HA VAL 16 HA VAL 16 -7.441 -7.821 5.769 117 HB VAL 16 HB VAL 16 -8.191 -9.560 8.116 118 1HG1 VAL 16 1HG1 VAL 16 -10.309 -8.229 8.216 119 2HG1 VAL 16 2HG1 VAL 16 -8.864 -7.329 8.735 120 3HG1 VAL 16 3HG1 VAL 16 -9.561 -7.040 7.123 121 1HG2 VAL 16 1HG2 VAL 16 -9.931 -10.377 6.755 122 2HG2 VAL 16 2HG2 VAL 16 -9.768 -9.042 5.589 123 3HG2 VAL 16 3HG2 VAL 16 -8.516 -10.304 5.678 124 H MET 17 H MET 17 -5.723 -8.743 8.805 125 HA MET 17 HA MET 17 -5.952 -6.385 10.130 126 1HB MET 17 1HB MET 17 -3.958 -8.639 10.005 127 2HB MET 17 2HB MET 17 -3.401 -7.181 10.803 128 1HG MET 17 1HG MET 17 -6.061 -8.499 11.508 129 2HG MET 17 2HG MET 17 -4.561 -8.947 12.296 130 1HE MET 17 1HE MET 17 -6.329 -6.751 14.978 131 2HE MET 17 2HE MET 17 -7.322 -7.485 13.696 132 3HE MET 17 3HE MET 17 -5.963 -8.394 14.399 133 H ASP 18 H ASP 18 -3.536 -7.327 7.611 134 HA ASP 18 HA ASP 18 -1.934 -5.107 7.882 135 1HB ASP 18 1HB ASP 18 -1.425 -7.197 6.559 136 2HB ASP 18 2HB ASP 18 -2.572 -6.679 5.341 137 H VAL 19 H VAL 19 -5.040 -5.686 6.227 138 HA VAL 19 HA VAL 19 -4.863 -3.342 4.588 139 HB VAL 19 HB VAL 19 -7.156 -5.210 5.222 140 1HG1 VAL 19 1HG1 VAL 19 -6.854 -3.117 3.043 141 2HG1 VAL 19 2HG1 VAL 19 -8.172 -4.309 3.149 142 3HG1 VAL 19 3HG1 VAL 19 -7.987 -3.071 4.415 143 1HG2 VAL 19 1HG2 VAL 19 -5.570 -6.555 4.162 144 2HG2 VAL 19 2HG2 VAL 19 -6.582 -5.989 2.812 145 3HG2 VAL 19 3HG2 VAL 19 -4.999 -5.233 3.115 146 H VAL 20 H VAL 20 -6.073 -4.240 7.799 147 HA VAL 20 HA VAL 20 -7.761 -1.987 8.104 148 HB VAL 20 HB VAL 20 -6.511 -4.008 9.949 149 1HG1 VAL 20 1HG1 VAL 20 -8.171 -1.586 10.701 150 2HG1 VAL 20 2HG1 VAL 20 -8.008 -3.020 11.743 151 3HG1 VAL 20 3HG1 VAL 20 -6.571 -2.060 11.319 152 1HG2 VAL 20 1HG2 VAL 20 -9.427 -3.443 9.338 153 2HG2 VAL 20 2HG2 VAL 20 -8.437 -4.616 8.438 154 3HG2 VAL 20 3HG2 VAL 20 -8.739 -4.854 10.176 155 H GLU 21 H GLU 21 -4.379 -2.771 9.151 156 HA GLU 21 HA GLU 21 -3.956 -0.348 10.413 157 1HB GLU 21 1HB GLU 21 -2.111 -2.418 9.182 158 2HB GLU 21 2HB GLU 21 -1.459 -0.956 9.894 159 1HG GLU 21 1HG GLU 21 -3.354 -2.838 11.373 160 2HG GLU 21 2HG GLU 21 -1.608 -2.956 11.474 161 H LEU 22 H LEU 22 -3.314 -1.428 7.020 162 HA LEU 22 HA LEU 22 -2.010 0.855 6.160 163 1HB LEU 22 1HB LEU 22 -2.139 -1.304 4.976 164 2HB LEU 22 2HB LEU 22 -3.823 -0.994 4.603 165 HG LEU 22 HG LEU 22 -2.936 1.173 3.458 166 1HD1 LEU 22 1HD1 LEU 22 -0.609 0.790 4.450 167 2HD1 LEU 22 2HD1 LEU 22 -0.413 -0.462 3.201 168 3HD1 LEU 22 3HD1 LEU 22 -0.708 1.229 2.728 169 1HD2 LEU 22 1HD2 LEU 22 -2.474 -1.575 2.267 170 2HD2 LEU 22 2HD2 LEU 22 -3.996 -0.653 2.261 171 3HD2 LEU 22 3HD2 LEU 22 -2.589 -0.053 1.351 172 H ILE 23 H ILE 23 -5.520 0.024 5.675 173 HA ILE 23 HA ILE 23 -6.246 2.442 4.613 174 HB ILE 23 HB ILE 23 -7.746 0.384 6.212 175 1HG1 ILE 23 1HG1 ILE 23 -6.917 -0.284 4.000 176 2HG1 ILE 23 2HG1 ILE 23 -8.668 -0.242 4.061 177 1HG2 ILE 23 1HG2 ILE 23 -9.801 1.595 5.178 178 2HG2 ILE 23 2HG2 ILE 23 -9.081 2.215 6.683 179 3HG2 ILE 23 3HG2 ILE 23 -8.724 3.011 5.131 180 1HD1 ILE 23 1HD1 ILE 23 -8.184 0.855 2.026 181 2HD1 ILE 23 2HD1 ILE 23 -8.428 2.211 3.153 182 3HD1 ILE 23 3HD1 ILE 23 -6.779 1.706 2.711 183 H SER 24 H SER 24 -5.844 1.473 8.045 184 HA SER 24 HA SER 24 -7.114 3.682 9.119 185 1HB SER 24 1HB SER 24 -5.125 1.649 10.099 186 2HB SER 24 2HB SER 24 -5.370 3.077 11.085 187 HG SER 24 HG SER 24 -7.046 1.980 11.857 188 H ALA 25 H ALA 25 -3.734 3.096 8.045 189 HA ALA 25 HA ALA 25 -2.594 5.372 9.191 190 1HB ALA 25 1HB ALA 25 -0.863 4.983 7.352 191 2HB ALA 25 2HB ALA 25 -1.196 3.594 8.414 192 3HB ALA 25 3HB ALA 25 -1.902 3.656 6.782 193 H MET 26 H MET 26 -3.609 4.814 5.738 194 HA MET 26 HA MET 26 -3.198 7.355 4.889 195 1HB MET 26 1HB MET 26 -5.283 5.252 4.113 196 2HB MET 26 2HB MET 26 -5.099 6.737 3.201 197 1HG MET 26 1HG MET 26 -2.675 6.178 2.812 198 2HG MET 26 2HG MET 26 -2.892 4.676 3.688 199 1HE MET 26 1HE MET 26 -2.950 2.814 0.453 200 2HE MET 26 2HE MET 26 -1.775 4.039 0.988 201 3HE MET 26 3HE MET 26 -2.475 2.902 2.166 202 H GLU 27 H GLU 27 -6.121 5.967 6.487 203 HA GLU 27 HA GLU 27 -7.865 7.986 6.060 204 1HB GLU 27 1HB GLU 27 -7.468 5.965 8.240 205 2HB GLU 27 2HB GLU 27 -8.586 7.272 8.577 206 1HG GLU 27 1HG GLU 27 -9.799 6.754 6.428 207 2HG GLU 27 2HG GLU 27 -8.708 5.409 6.157 208 H GLU 28 H GLU 28 -5.358 7.729 8.658 209 HA GLU 28 HA GLU 28 -6.180 10.206 9.783 210 1HB GLU 28 1HB GLU 28 -5.158 8.199 11.028 211 2HB GLU 28 2HB GLU 28 -3.611 8.679 10.361 212 1HG GLU 28 1HG GLU 28 -4.094 11.034 11.349 213 2HG GLU 28 2HG GLU 28 -5.397 10.275 12.241 214 H LYS 29 H LYS 29 -3.294 8.997 7.944 215 HA LYS 29 HA LYS 29 -1.804 11.283 7.963 216 1HB LYS 29 1HB LYS 29 -0.939 9.197 7.135 217 2HB LYS 29 2HB LYS 29 -2.111 9.152 5.833 218 1HG LYS 29 1HG LYS 29 -0.945 10.663 4.544 219 2HG LYS 29 2HG LYS 29 -0.486 11.646 5.920 220 1HD LYS 29 1HD LYS 29 1.316 10.126 6.517 221 2HD LYS 29 2HD LYS 29 0.753 8.911 5.388 222 1HE LYS 29 1HE LYS 29 2.596 9.982 4.291 223 2HE LYS 29 2HE LYS 29 1.163 10.620 3.509 224 1HZ LYS 29 1HZ LYS 29 1.314 12.563 4.856 225 2HZ LYS 29 2HZ LYS 29 2.561 11.959 5.720 226 3HZ LYS 29 3HZ LYS 29 2.763 12.325 4.141 227 H PHE 30 H PHE 30 -4.000 10.307 5.231 228 HA PHE 30 HA PHE 30 -3.876 12.935 4.159 229 1HB PHE 30 1HB PHE 30 -5.566 10.413 3.683 230 2HB PHE 30 2HB PHE 30 -5.739 11.839 2.680 231 HD1 PHE 30 1HD PHE 30 -3.836 12.576 1.250 232 HD2 PHE 30 2HD PHE 30 -3.742 8.909 3.383 233 HE1 PHE 30 1HE PHE 30 -1.964 11.772 -0.215 234 HE2 PHE 30 2HE PHE 30 -1.869 8.105 1.918 235 HZ PHE 30 HZ PHE 30 -1.003 9.546 0.136 236 H GLY 31 H GLY 31 -5.576 11.622 6.787 237 1HA GLY 31 1HA GLY 31 -7.422 12.231 7.928 238 2HA GLY 31 2HA GLY 31 -6.976 13.857 7.449 239 H VAL 32 H VAL 32 -8.047 11.127 5.331 240 HA VAL 32 HA VAL 32 -10.488 12.669 4.789 241 HB VAL 32 HB VAL 32 -8.709 11.194 2.839 242 1HG1 VAL 32 1HG1 VAL 32 -10.861 10.761 2.034 243 2HG1 VAL 32 2HG1 VAL 32 -11.484 12.344 2.557 244 3HG1 VAL 32 3HG1 VAL 32 -10.387 12.236 1.159 245 1HG2 VAL 32 1HG2 VAL 32 -9.227 13.858 2.023 246 2HG2 VAL 32 2HG2 VAL 32 -8.775 13.926 3.743 247 3HG2 VAL 32 3HG2 VAL 32 -7.684 13.155 2.567 248 H SER 33 H SER 33 -11.101 11.167 6.696 249 HA SER 33 HA SER 33 -11.588 8.481 5.709 250 1HB SER 33 1HB SER 33 -12.096 7.942 8.092 251 2HB SER 33 2HB SER 33 -10.483 8.593 7.885 252 HG SER 33 HG SER 33 -11.850 9.488 9.702 253 H ALA 34 H ALA 34 -13.185 10.095 4.316 254 HA ALA 34 HA ALA 34 -15.757 9.323 4.942 255 1HB ALA 34 1HB ALA 34 -16.585 11.764 5.489 256 2HB ALA 34 2HB ALA 34 -15.965 10.724 6.794 257 3HB ALA 34 3HB ALA 34 -14.923 11.984 6.089 258 H ALA 35 H ALA 35 -15.857 8.891 2.734 259 HA ALA 35 HA ALA 35 -16.534 11.072 1.072 260 1HB ALA 35 1HB ALA 35 -13.866 9.707 0.526 261 2HB ALA 35 2HB ALA 35 -14.670 10.894 -0.528 262 3HB ALA 35 3HB ALA 35 -14.078 11.386 1.077 263 H ALA 36 H ALA 36 -18.353 9.452 1.283 264 HA ALA 36 HA ALA 36 -18.349 6.889 0.463 265 1HB ALA 36 1HB ALA 36 -20.684 7.430 -0.429 266 2HB ALA 36 2HB ALA 36 -20.357 7.916 1.252 267 3HB ALA 36 3HB ALA 36 -20.332 9.132 -0.047 268 H ALA 37 H ALA 37 -18.599 5.754 -1.549 269 HA ALA 37 HA ALA 37 -17.932 7.357 -3.914 270 1HB ALA 37 1HB ALA 37 -15.945 6.116 -2.849 271 2HB ALA 37 2HB ALA 37 -16.760 4.616 -3.352 272 3HB ALA 37 3HB ALA 37 -16.255 5.808 -4.574 273 1H SER 1 H SER 1 10.608 -4.672 -0.984 274 HA SER 1 HA SER 1 10.558 -4.468 1.891 275 1HB SER 1 1HB SER 1 11.141 -2.060 1.856 276 2HB SER 1 2HB SER 1 12.464 -3.045 1.267 277 HG SER 1 HG SER 1 10.616 -1.451 -0.277 278 H ILE 2 H ILE 2 8.338 -5.284 1.236 279 HA ILE 2 HA ILE 2 6.700 -3.125 0.112 280 HB ILE 2 HB ILE 2 5.957 -6.034 0.359 281 1HG1 ILE 2 1HG1 ILE 2 7.344 -4.635 -1.945 282 2HG1 ILE 2 2HG1 ILE 2 7.987 -5.940 -0.968 283 1HG2 ILE 2 1HG2 ILE 2 4.242 -5.531 -1.219 284 2HG2 ILE 2 2HG2 ILE 2 4.158 -4.307 0.070 285 3HG2 ILE 2 3HG2 ILE 2 4.889 -3.897 -1.500 286 1HD1 ILE 2 1HD1 ILE 2 5.913 -7.312 -1.721 287 2HD1 ILE 2 2HD1 ILE 2 5.683 -6.043 -2.947 288 3HD1 ILE 2 3HD1 ILE 2 7.178 -7.010 -2.936 289 H THR 3 H THR 3 7.249 -2.306 2.487 290 HA THR 3 HA THR 3 5.578 -3.559 4.491 291 HB THR 3 HB THR 3 6.582 -1.705 5.899 292 HG1 THR 3 1HG THR 3 7.979 -0.260 4.739 293 1HG2 THR 3 1HG2 THR 3 8.952 -2.392 5.713 294 2HG2 THR 3 2HG2 THR 3 7.913 -3.829 5.555 295 3HG2 THR 3 3HG2 THR 3 8.643 -3.096 4.107 296 H LYS 4 H LYS 4 3.977 -2.297 5.748 297 HA LYS 4 HA LYS 4 1.985 -1.362 4.084 298 1HB LYS 4 1HB LYS 4 2.504 -1.310 7.031 299 2HB LYS 4 2HB LYS 4 1.204 -0.317 6.403 300 1HG LYS 4 1HG LYS 4 0.171 -2.283 5.315 301 2HG LYS 4 2HG LYS 4 1.513 -3.297 5.805 302 1HD LYS 4 1HD LYS 4 0.173 -1.796 8.018 303 2HD LYS 4 2HD LYS 4 -0.810 -3.024 7.246 304 1HE LYS 4 1HE LYS 4 0.330 -4.144 9.040 305 2HE LYS 4 2HE LYS 4 1.141 -4.658 7.573 306 1HZ LYS 4 1HZ LYS 4 2.917 -3.266 8.009 307 2HZ LYS 4 2HZ LYS 4 2.103 -2.348 9.086 308 3HZ LYS 4 3HZ LYS 4 2.555 -3.865 9.485 309 H ASP 5 H ASP 5 4.507 0.427 5.944 310 HA ASP 5 HA ASP 5 3.494 2.934 5.529 311 1HB ASP 5 1HB ASP 5 6.471 2.308 5.497 312 2HB ASP 5 2HB ASP 5 5.686 3.741 6.131 313 H GLN 6 H GLN 6 5.884 0.974 3.614 314 HA GLN 6 HA GLN 6 6.586 2.863 1.793 315 1HB GLN 6 1HB GLN 6 6.629 -0.084 1.965 316 2HB GLN 6 2HB GLN 6 6.551 0.494 0.313 317 1HG GLN 6 1HG GLN 6 8.899 0.306 0.959 318 2HG GLN 6 2HG GLN 6 8.510 2.003 0.761 319 1HE2 GLN 6 1HE2 GLN 6 9.898 -0.280 2.729 320 2HE2 GLN 6 2HE2 GLN 6 10.041 0.636 4.192 321 H ILE 7 H ILE 7 3.543 1.135 2.147 322 HA ILE 7 HA ILE 7 2.723 1.616 -0.569 323 HB ILE 7 HB ILE 7 1.289 0.511 1.847 324 1HG1 ILE 7 1HG1 ILE 7 3.252 -0.769 0.795 325 2HG1 ILE 7 2HG1 ILE 7 1.740 -1.623 1.034 326 1HG2 ILE 7 1HG2 ILE 7 -0.394 1.460 0.467 327 2HG2 ILE 7 2HG2 ILE 7 0.371 0.841 -1.016 328 3HG2 ILE 7 3HG2 ILE 7 -0.382 -0.288 0.135 329 1HD1 ILE 7 1HD1 ILE 7 1.139 -1.429 -1.295 330 2HD1 ILE 7 2HD1 ILE 7 2.436 -0.247 -1.595 331 3HD1 ILE 7 3HD1 ILE 7 2.842 -1.946 -1.253 332 H ILE 8 H ILE 8 2.399 3.104 2.653 333 HA ILE 8 HA ILE 8 0.265 4.795 2.079 334 HB ILE 8 HB ILE 8 2.606 5.173 3.950 335 1HG1 ILE 8 1HG1 ILE 8 1.383 3.070 4.321 336 2HG1 ILE 8 2HG1 ILE 8 1.198 4.193 5.653 337 1HG2 ILE 8 1HG2 ILE 8 1.635 7.295 3.753 338 2HG2 ILE 8 2HG2 ILE 8 -0.016 6.636 3.660 339 3HG2 ILE 8 3HG2 ILE 8 0.876 6.590 5.200 340 1HD1 ILE 8 1HD1 ILE 8 -0.828 3.820 3.398 341 2HD1 ILE 8 2HD1 ILE 8 -0.967 3.125 5.031 342 3HD1 ILE 8 3HD1 ILE 8 -1.020 4.890 4.808 343 H GLU 9 H GLU 9 3.824 5.167 1.591 344 HA GLU 9 HA GLU 9 3.592 7.809 0.692 345 1HB GLU 9 1HB GLU 9 5.780 5.715 0.365 346 2HB GLU 9 2HB GLU 9 5.958 7.370 -0.182 347 1HG GLU 9 1HG GLU 9 5.275 6.587 2.691 348 2HG GLU 9 2HG GLU 9 6.898 6.939 2.132 349 H ALA 10 H ALA 10 2.760 4.791 -0.729 350 HA ALA 10 HA ALA 10 3.423 5.452 -3.425 351 1HB ALA 10 1HB ALA 10 3.142 3.129 -2.294 352 2HB ALA 10 2HB ALA 10 1.397 3.388 -2.531 353 3HB ALA 10 3HB ALA 10 2.490 3.348 -3.935 354 H VAL 11 H VAL 11 0.501 5.596 -1.318 355 HA VAL 11 HA VAL 11 -1.184 6.457 -3.444 356 HB VAL 11 HB VAL 11 -1.400 6.243 -0.454 357 1HG1 VAL 11 1HG1 VAL 11 -2.648 8.233 -0.903 358 2HG1 VAL 11 2HG1 VAL 11 -3.400 7.513 -2.347 359 3HG1 VAL 11 3HG1 VAL 11 -3.821 6.905 -0.727 360 1HG2 VAL 11 1HG2 VAL 11 -3.266 4.672 -1.120 361 2HG2 VAL 11 2HG2 VAL 11 -2.727 4.865 -2.806 362 3HG2 VAL 11 3HG2 VAL 11 -1.629 4.158 -1.596 363 H ALA 12 H ALA 12 1.169 7.955 -1.340 364 HA ALA 12 HA ALA 12 0.027 10.595 -1.726 365 1HB ALA 12 1HB ALA 12 2.696 9.963 -0.455 366 2HB ALA 12 2HB ALA 12 1.570 11.296 -0.101 367 3HB ALA 12 3HB ALA 12 1.177 9.638 0.415 368 H ALA 13 H ALA 13 1.297 8.604 -3.853 369 HA ALA 13 HA ALA 13 3.245 10.534 -4.908 370 1HB ALA 13 1HB ALA 13 2.911 7.656 -5.791 371 2HB ALA 13 2HB ALA 13 4.325 8.721 -5.972 372 3HB ALA 13 3HB ALA 13 3.890 8.085 -4.367 373 H MET 14 H MET 14 0.156 8.881 -5.366 374 HA MET 14 HA MET 14 0.052 9.834 -8.101 375 1HB MET 14 1HB MET 14 -1.801 8.028 -6.449 376 2HB MET 14 2HB MET 14 -2.087 8.432 -8.130 377 1HG MET 14 1HG MET 14 -0.666 6.795 -8.808 378 2HG MET 14 2HG MET 14 0.644 7.501 -7.883 379 1HE MET 14 1HE MET 14 -2.049 4.918 -8.210 380 2HE MET 14 2HE MET 14 -2.187 4.134 -6.618 381 3HE MET 14 3HE MET 14 -2.858 5.763 -6.869 382 H SER 15 H SER 15 -2.301 10.643 -8.764 383 HA SER 15 HA SER 15 -2.724 12.931 -7.139 384 1HB SER 15 1HB SER 15 -4.728 13.040 -8.997 385 2HB SER 15 2HB SER 15 -3.096 13.608 -9.285 386 HG SER 15 HG SER 15 -4.214 11.940 -10.819 387 H VAL 16 H VAL 16 -5.119 13.593 -6.615 388 HA VAL 16 HA VAL 16 -6.125 11.688 -4.828 389 HB VAL 16 HB VAL 16 -7.319 14.218 -5.976 390 1HG1 VAL 16 1HG1 VAL 16 -8.763 14.180 -3.928 391 2HG1 VAL 16 2HG1 VAL 16 -9.122 12.887 -5.096 392 3HG1 VAL 16 3HG1 VAL 16 -8.200 12.521 -3.619 393 1HG2 VAL 16 1HG2 VAL 16 -5.646 13.630 -3.523 394 2HG2 VAL 16 2HG2 VAL 16 -5.326 14.788 -4.836 395 3HG2 VAL 16 3HG2 VAL 16 -6.638 15.100 -3.675 396 H MET 17 H MET 17 -7.152 12.740 -8.129 397 HA MET 17 HA MET 17 -9.468 11.236 -8.189 398 1HB MET 17 1HB MET 17 -7.593 12.510 -10.179 399 2HB MET 17 2HB MET 17 -8.706 11.322 -10.827 400 1HG MET 17 1HG MET 17 -9.886 13.389 -11.001 401 2HG MET 17 2HG MET 17 -10.585 12.614 -9.594 402 1HE MET 17 1HE MET 17 -10.875 15.590 -10.223 403 2HE MET 17 2HE MET 17 -11.483 15.015 -8.652 404 3HE MET 17 3HE MET 17 -10.448 16.461 -8.730 405 H ASP 18 H ASP 18 -6.093 10.446 -9.230 406 HA ASP 18 HA ASP 18 -6.712 8.015 -10.372 407 1HB ASP 18 1HB ASP 18 -4.508 9.401 -10.409 408 2HB ASP 18 2HB ASP 18 -4.127 8.629 -8.882 409 H VAL 19 H VAL 19 -6.225 9.088 -7.012 410 HA VAL 19 HA VAL 19 -5.812 6.447 -5.979 411 HB VAL 19 HB VAL 19 -6.188 9.195 -4.811 412 1HG1 VAL 19 1HG1 VAL 19 -7.334 7.764 -3.254 413 2HG1 VAL 19 2HG1 VAL 19 -6.022 6.562 -3.311 414 3HG1 VAL 19 3HG1 VAL 19 -5.738 8.155 -2.570 415 1HG2 VAL 19 1HG2 VAL 19 -3.910 9.032 -4.187 416 2HG2 VAL 19 2HG2 VAL 19 -3.869 7.277 -4.485 417 3HG2 VAL 19 3HG2 VAL 19 -3.993 8.410 -5.852 418 H VAL 20 H VAL 20 -8.525 8.682 -6.553 419 HA VAL 20 HA VAL 20 -10.388 7.460 -4.878 420 HB VAL 20 HB VAL 20 -10.508 9.141 -7.361 421 1HG1 VAL 20 1HG1 VAL 20 -13.017 9.295 -6.924 422 2HG1 VAL 20 2HG1 VAL 20 -12.433 7.796 -7.686 423 3HG1 VAL 20 3HG1 VAL 20 -12.837 7.815 -5.952 424 1HG2 VAL 20 1HG2 VAL 20 -9.984 9.922 -4.906 425 2HG2 VAL 20 2HG2 VAL 20 -11.067 10.881 -5.943 426 3HG2 VAL 20 3HG2 VAL 20 -11.748 9.799 -4.704 427 H GLU 21 H GLU 21 -9.463 6.844 -8.320 428 HA GLU 21 HA GLU 21 -11.382 4.921 -8.784 429 1HB GLU 21 1HB GLU 21 -8.665 5.517 -9.980 430 2HB GLU 21 2HB GLU 21 -9.561 4.109 -10.515 431 1HG GLU 21 1HG GLU 21 -10.864 6.857 -10.423 432 2HG GLU 21 2HG GLU 21 -9.912 6.353 -11.805 433 H LEU 22 H LEU 22 -7.964 4.612 -7.613 434 HA LEU 22 HA LEU 22 -7.873 1.863 -7.452 435 1HB LEU 22 1HB LEU 22 -5.964 3.382 -7.232 436 2HB LEU 22 2HB LEU 22 -6.560 3.926 -5.677 437 HG LEU 22 HG LEU 22 -6.407 1.388 -5.025 438 1HD1 LEU 22 1HD1 LEU 22 -4.873 0.048 -6.181 439 2HD1 LEU 22 2HD1 LEU 22 -5.871 0.786 -7.457 440 3HD1 LEU 22 3HD1 LEU 22 -4.241 1.420 -7.124 441 1HD2 LEU 22 1HD2 LEU 22 -4.031 1.735 -4.337 442 2HD2 LEU 22 2HD2 LEU 22 -4.019 3.229 -5.305 443 3HD2 LEU 22 3HD2 LEU 22 -5.121 3.078 -3.915 444 H ILE 23 H ILE 23 -8.567 4.148 -4.705 445 HA ILE 23 HA ILE 23 -9.267 2.254 -2.877 446 HB ILE 23 HB ILE 23 -10.118 5.101 -3.302 447 1HG1 ILE 23 1HG1 ILE 23 -8.406 3.826 -1.151 448 2HG1 ILE 23 2HG1 ILE 23 -7.766 4.507 -2.633 449 1HG2 ILE 23 1HG2 ILE 23 -11.089 5.045 -1.009 450 2HG2 ILE 23 2HG2 ILE 23 -12.016 4.113 -2.210 451 3HG2 ILE 23 3HG2 ILE 23 -10.968 3.270 -1.044 452 1HD1 ILE 23 1HD1 ILE 23 -7.600 6.286 -1.072 453 2HD1 ILE 23 2HD1 ILE 23 -9.075 6.670 -1.991 454 3HD1 ILE 23 3HD1 ILE 23 -9.200 5.939 -0.373 455 H SER 24 H SER 24 -11.309 3.770 -5.433 456 HA SER 24 HA SER 24 -13.709 2.793 -4.546 457 1HB SER 24 1HB SER 24 -12.618 3.689 -7.202 458 2HB SER 24 2HB SER 24 -14.166 2.867 -7.204 459 HG SER 24 HG SER 24 -13.963 5.374 -6.860 460 H ALA 25 H ALA 25 -11.155 1.295 -6.584 461 HA ALA 25 HA ALA 25 -12.584 -0.919 -7.457 462 1HB ALA 25 1HB ALA 25 -10.614 -1.221 -8.489 463 2HB ALA 25 2HB ALA 25 -9.911 0.085 -7.506 464 3HB ALA 25 3HB ALA 25 -9.837 -1.599 -6.933 465 H MET 26 H MET 26 -10.296 -0.667 -4.635 466 HA MET 26 HA MET 26 -10.742 -3.155 -3.650 467 1HB MET 26 1HB MET 26 -10.160 -0.483 -2.271 468 2HB MET 26 2HB MET 26 -10.143 -1.995 -1.384 469 1HG MET 26 1HG MET 26 -8.413 -2.887 -2.993 470 2HG MET 26 2HG MET 26 -8.399 -1.336 -3.809 471 1HE MET 26 1HE MET 26 -5.174 -0.495 -2.109 472 2HE MET 26 2HE MET 26 -5.660 -1.879 -3.117 473 3HE MET 26 3HE MET 26 -6.255 -0.246 -3.502 474 H GLU 27 H GLU 27 -12.626 -0.132 -3.066 475 HA GLU 27 HA GLU 27 -14.169 -0.981 -1.007 476 1HB GLU 27 1HB GLU 27 -14.532 0.969 -3.260 477 2HB GLU 27 2HB GLU 27 -15.961 0.560 -2.331 478 1HG GLU 27 1HG GLU 27 -14.674 1.109 -0.211 479 2HG GLU 27 2HG GLU 27 -13.334 1.640 -1.208 480 H GLU 28 H GLU 28 -14.651 -1.519 -4.549 481 HA GLU 28 HA GLU 28 -17.117 -2.847 -4.103 482 1HB GLU 28 1HB GLU 28 -16.398 -1.526 -6.198 483 2HB GLU 28 2HB GLU 28 -15.429 -2.918 -6.635 484 1HG GLU 28 1HG GLU 28 -18.150 -3.724 -5.878 485 2HG GLU 28 2HG GLU 28 -18.180 -2.537 -7.167 486 H LYS 29 H LYS 29 -13.748 -3.831 -5.006 487 HA LYS 29 HA LYS 29 -14.244 -6.507 -5.417 488 1HB LYS 29 1HB LYS 29 -12.166 -5.484 -6.065 489 2HB LYS 29 2HB LYS 29 -11.779 -5.065 -4.409 490 1HG LYS 29 1HG LYS 29 -11.113 -7.210 -3.870 491 2HG LYS 29 2HG LYS 29 -12.343 -7.961 -4.867 492 1HD LYS 29 1HD LYS 29 -11.059 -7.639 -6.884 493 2HD LYS 29 2HD LYS 29 -9.968 -6.511 -6.103 494 1HE LYS 29 1HE LYS 29 -9.100 -8.339 -4.642 495 2HE LYS 29 2HE LYS 29 -10.212 -9.472 -5.384 496 1HZ LYS 29 1HZ LYS 29 -7.783 -9.131 -6.254 497 2HZ LYS 29 2HZ LYS 29 -9.003 -9.529 -7.264 498 3HZ LYS 29 3HZ LYS 29 -8.497 -7.979 -7.166 499 H PHE 30 H PHE 30 -12.821 -5.090 -2.383 500 HA PHE 30 HA PHE 30 -13.394 -7.494 -0.974 501 1HB PHE 30 1HB PHE 30 -12.542 -4.646 -0.175 502 2HB PHE 30 2HB PHE 30 -12.552 -5.989 0.950 503 HD1 PHE 30 1HD PHE 30 -10.992 -7.915 0.572 504 HD2 PHE 30 2HD PHE 30 -10.745 -4.335 -1.693 505 HE1 PHE 30 1HE PHE 30 -8.656 -8.517 -0.124 506 HE2 PHE 30 2HE PHE 30 -8.409 -4.936 -2.388 507 HZ PHE 30 HZ PHE 30 -7.393 -7.020 -1.596 508 H GLY 31 H GLY 31 -15.404 -5.017 -2.011 509 1HA GLY 31 1HA GLY 31 -17.409 -4.225 -1.350 510 2HA GLY 31 2HA GLY 31 -17.662 -5.852 -0.749 511 H VAL 32 H VAL 32 -15.610 -3.017 0.268 512 HA VAL 32 HA VAL 32 -16.606 -3.471 2.991 513 HB VAL 32 HB VAL 32 -14.173 -3.739 2.566 514 1HG1 VAL 32 1HG1 VAL 32 -13.391 -0.994 2.487 515 2HG1 VAL 32 2HG1 VAL 32 -13.053 -2.282 1.306 516 3HG1 VAL 32 3HG1 VAL 32 -14.519 -1.286 1.141 517 1HG2 VAL 32 1HG2 VAL 32 -13.437 -2.329 4.468 518 2HG2 VAL 32 2HG2 VAL 32 -14.982 -1.449 4.389 519 3HG2 VAL 32 3HG2 VAL 32 -14.964 -3.181 4.797 520 H SER 33 H SER 33 -18.507 -2.286 1.551 521 HA SER 33 HA SER 33 -18.060 0.570 1.803 522 1HB SER 33 1HB SER 33 -20.183 0.758 0.465 523 2HB SER 33 2HB SER 33 -18.901 -0.099 -0.369 524 HG SER 33 HG SER 33 -19.963 -2.019 -0.160 525 H ALA 34 H ALA 34 -18.645 1.415 3.771 526 HA ALA 34 HA ALA 34 -19.783 1.812 5.625 527 1HB ALA 34 1HB ALA 34 -22.221 1.628 5.560 528 2HB ALA 34 2HB ALA 34 -21.625 2.233 3.996 529 3HB ALA 34 3HB ALA 34 -22.127 0.533 4.160 530 H ALA 35 H ALA 35 -18.285 0.182 6.578 531 HA ALA 35 HA ALA 35 -17.797 -1.722 7.633 532 1HB ALA 35 1HB ALA 35 -19.310 -0.464 9.194 533 2HB ALA 35 2HB ALA 35 -20.673 -1.439 8.591 534 3HB ALA 35 3HB ALA 35 -19.328 -2.225 9.452 535 H ALA 36 H ALA 36 -17.544 -3.036 5.708 536 HA ALA 36 HA ALA 36 -17.915 -4.829 4.467 537 1HB ALA 36 1HB ALA 36 -18.303 -5.737 6.853 538 2HB ALA 36 2HB ALA 36 -20.037 -5.688 6.454 539 3HB ALA 36 3HB ALA 36 -18.932 -6.705 5.498 540 H ALA 37 H ALA 37 -19.852 -6.184 3.346 541 HA ALA 37 HA ALA 37 -21.915 -4.206 2.654 542 1HB ALA 37 1HB ALA 37 -21.791 -5.159 0.343 543 2HB ALA 37 2HB ALA 37 -20.282 -4.364 0.852 544 3HB ALA 37 3HB ALA 37 -20.398 -6.140 0.857 Start of MODEL 7 1 1H SER 1 H SER 1 6.092 -0.713 -14.724 2 HA SER 1 HA SER 1 3.886 -0.801 -14.776 3 1HB SER 1 1HB SER 1 4.881 -3.165 -15.266 4 2HB SER 1 2HB SER 1 4.223 -3.624 -13.709 5 HG SER 1 HG SER 1 2.296 -3.789 -14.610 6 H ILE 2 H ILE 2 3.738 0.735 -12.844 7 HA ILE 2 HA ILE 2 2.742 -0.640 -10.459 8 HB ILE 2 HB ILE 2 3.490 2.265 -10.750 9 1HG1 ILE 2 1HG1 ILE 2 5.237 -0.073 -9.931 10 2HG1 ILE 2 2HG1 ILE 2 5.446 0.953 -11.336 11 1HG2 ILE 2 1HG2 ILE 2 2.006 1.610 -8.858 12 2HG2 ILE 2 2HG2 ILE 2 3.290 0.520 -8.283 13 3HG2 ILE 2 3HG2 ILE 2 3.578 2.275 -8.352 14 1HD1 ILE 2 1HD1 ILE 2 6.966 1.816 -9.707 15 2HD1 ILE 2 2HD1 ILE 2 5.588 2.943 -9.686 16 3HD1 ILE 2 3HD1 ILE 2 5.753 1.715 -8.408 17 H THR 3 H THR 3 0.901 -1.077 -12.227 18 HA THR 3 HA THR 3 -0.856 1.139 -12.668 19 HB THR 3 HB THR 3 -2.178 -0.532 -13.825 20 HG1 THR 3 1HG THR 3 -0.559 -2.250 -12.091 21 1HG2 THR 3 1HG2 THR 3 -0.636 -1.321 -15.370 22 2HG2 THR 3 2HG2 THR 3 0.468 -0.236 -14.492 23 3HG2 THR 3 3HG2 THR 3 0.435 -1.974 -14.107 24 H LYS 4 H LYS 4 -3.138 1.191 -11.933 25 HA LYS 4 HA LYS 4 -3.272 1.157 -9.155 26 1HB LYS 4 1HB LYS 4 -5.112 1.643 -11.420 27 2HB LYS 4 2HB LYS 4 -5.888 1.132 -9.935 28 1HG LYS 4 1HG LYS 4 -4.809 2.946 -8.675 29 2HG LYS 4 2HG LYS 4 -3.845 3.397 -10.067 30 1HD LYS 4 1HD LYS 4 -6.898 3.490 -9.981 31 2HD LYS 4 2HD LYS 4 -5.859 4.877 -9.722 32 1HE LYS 4 1HE LYS 4 -6.053 5.191 -11.980 33 2HE LYS 4 2HE LYS 4 -4.845 3.927 -12.105 34 1HZ LYS 4 1HZ LYS 4 -7.155 2.571 -11.830 35 2HZ LYS 4 2HZ LYS 4 -7.602 3.835 -12.762 36 3HZ LYS 4 3HZ LYS 4 -6.388 2.854 -13.243 37 H ASP 5 H ASP 5 -4.138 -1.280 -11.636 38 HA ASP 5 HA ASP 5 -5.689 -2.868 -10.017 39 1HB ASP 5 1HB ASP 5 -4.004 -3.318 -12.484 40 2HB ASP 5 2HB ASP 5 -4.659 -4.724 -11.667 41 H GLN 6 H GLN 6 -2.136 -2.901 -10.772 42 HA GLN 6 HA GLN 6 -1.437 -5.201 -9.541 43 1HB GLN 6 1HB GLN 6 -0.031 -2.582 -10.023 44 2HB GLN 6 2HB GLN 6 0.772 -3.771 -9.018 45 1HG GLN 6 1HG GLN 6 -0.417 -4.727 -11.617 46 2HG GLN 6 2HG GLN 6 1.037 -3.752 -11.705 47 1HE2 GLN 6 1HE2 GLN 6 0.385 -6.657 -12.170 48 2HE2 GLN 6 2HE2 GLN 6 1.557 -7.557 -11.267 49 H ILE 7 H ILE 7 -2.418 -2.127 -8.088 50 HA ILE 7 HA ILE 7 -1.330 -2.783 -5.512 51 HB ILE 7 HB ILE 7 -3.075 -0.551 -6.541 52 1HG1 ILE 7 1HG1 ILE 7 -0.586 -0.758 -7.170 53 2HG1 ILE 7 2HG1 ILE 7 -1.169 0.777 -6.556 54 1HG2 ILE 7 1HG2 ILE 7 -3.754 -0.828 -4.286 55 2HG2 ILE 7 2HG2 ILE 7 -2.080 -1.084 -3.736 56 3HG2 ILE 7 3HG2 ILE 7 -2.593 0.522 -4.307 57 1HD1 ILE 7 1HD1 ILE 7 -0.247 0.368 -4.363 58 2HD1 ILE 7 2HD1 ILE 7 0.073 -1.340 -4.748 59 3HD1 ILE 7 3HD1 ILE 7 1.023 -0.057 -5.535 60 H ILE 8 H ILE 8 -4.432 -3.031 -7.261 61 HA ILE 8 HA ILE 8 -6.049 -3.512 -5.037 62 HB ILE 8 HB ILE 8 -6.313 -4.410 -7.908 63 1HG1 ILE 8 1HG1 ILE 8 -6.112 -1.982 -7.665 64 2HG1 ILE 8 2HG1 ILE 8 -7.717 -2.447 -8.192 65 1HG2 ILE 8 1HG2 ILE 8 -7.862 -5.767 -6.918 66 2HG2 ILE 8 2HG2 ILE 8 -8.121 -4.667 -5.543 67 3HG2 ILE 8 3HG2 ILE 8 -8.837 -4.293 -7.129 68 1HD1 ILE 8 1HD1 ILE 8 -7.963 -0.767 -6.457 69 2HD1 ILE 8 2HD1 ILE 8 -8.480 -2.326 -5.771 70 3HD1 ILE 8 3HD1 ILE 8 -6.879 -1.663 -5.366 71 H GLU 9 H GLU 9 -4.181 -5.737 -7.193 72 HA GLU 9 HA GLU 9 -5.099 -8.033 -5.885 73 1HB GLU 9 1HB GLU 9 -2.901 -7.390 -7.844 74 2HB GLU 9 2HB GLU 9 -2.861 -8.948 -7.042 75 1HG GLU 9 1HG GLU 9 -5.401 -7.943 -8.380 76 2HG GLU 9 2HG GLU 9 -4.155 -8.756 -9.306 77 H ALA 10 H ALA 10 -2.884 -5.569 -4.961 78 HA ALA 10 HA ALA 10 -1.098 -7.229 -3.472 79 1HB ALA 10 1HB ALA 10 -1.268 -4.409 -2.687 80 2HB ALA 10 2HB ALA 10 0.101 -5.321 -3.368 81 3HB ALA 10 3HB ALA 10 -1.125 -4.616 -4.449 82 H VAL 11 H VAL 11 -4.089 -5.341 -2.860 83 HA VAL 11 HA VAL 11 -3.918 -5.704 -0.030 84 HB VAL 11 HB VAL 11 -5.966 -4.630 -1.954 85 1HG1 VAL 11 1HG1 VAL 11 -6.312 -5.320 0.951 86 2HG1 VAL 11 2HG1 VAL 11 -7.131 -3.890 0.278 87 3HG1 VAL 11 3HG1 VAL 11 -7.450 -5.502 -0.405 88 1HG2 VAL 11 1HG2 VAL 11 -5.493 -2.645 -0.204 89 2HG2 VAL 11 2HG2 VAL 11 -3.948 -3.517 -0.066 90 3HG2 VAL 11 3HG2 VAL 11 -4.493 -2.918 -1.651 91 H ALA 12 H ALA 12 -5.098 -7.523 -2.795 92 HA ALA 12 HA ALA 12 -6.818 -9.180 -1.171 93 1HB ALA 12 1HB ALA 12 -6.921 -8.427 -3.757 94 2HB ALA 12 2HB ALA 12 -6.008 -9.944 -3.946 95 3HB ALA 12 3HB ALA 12 -7.613 -9.962 -3.178 96 H ALA 13 H ALA 13 -3.542 -8.813 -1.353 97 HA ALA 13 HA ALA 13 -3.021 -11.699 -1.269 98 1HB ALA 13 1HB ALA 13 -0.858 -11.230 -2.005 99 2HB ALA 13 2HB ALA 13 -1.802 -9.980 -2.849 100 3HB ALA 13 3HB ALA 13 -0.892 -9.566 -1.376 101 H MET 14 H MET 14 -3.180 -8.708 0.578 102 HA MET 14 HA MET 14 -1.648 -9.892 2.722 103 1HB MET 14 1HB MET 14 -2.962 -7.138 2.382 104 2HB MET 14 2HB MET 14 -1.966 -7.585 3.753 105 1HG MET 14 1HG MET 14 0.016 -7.559 2.511 106 2HG MET 14 2HG MET 14 -0.782 -8.008 1.017 107 1HE MET 14 1HE MET 14 1.262 -5.094 2.097 108 2HE MET 14 2HE MET 14 1.251 -6.221 0.720 109 3HE MET 14 3HE MET 14 0.885 -4.498 0.463 110 H SER 15 H SER 15 -2.608 -9.440 5.048 111 HA SER 15 HA SER 15 -5.141 -10.752 5.038 112 1HB SER 15 1HB SER 15 -4.636 -10.261 7.679 113 2HB SER 15 2HB SER 15 -4.004 -11.641 6.805 114 HG SER 15 HG SER 15 -2.244 -10.655 7.817 115 H VAL 16 H VAL 16 -6.923 -9.930 6.599 116 HA VAL 16 HA VAL 16 -7.764 -7.415 5.794 117 HB VAL 16 HB VAL 16 -8.535 -9.203 8.100 118 1HG1 VAL 16 1HG1 VAL 16 -9.713 -6.563 7.219 119 2HG1 VAL 16 2HG1 VAL 16 -10.690 -7.793 8.055 120 3HG1 VAL 16 3HG1 VAL 16 -9.260 -7.097 8.855 121 1HG2 VAL 16 1HG2 VAL 16 -10.073 -8.618 5.559 122 2HG2 VAL 16 2HG2 VAL 16 -8.881 -9.934 5.680 123 3HG2 VAL 16 3HG2 VAL 16 -10.320 -9.938 6.727 124 H MET 17 H MET 17 -6.045 -8.505 8.776 125 HA MET 17 HA MET 17 -6.200 -6.143 10.148 126 1HB MET 17 1HB MET 17 -4.376 -8.538 10.073 127 2HB MET 17 2HB MET 17 -3.736 -7.130 10.897 128 1HG MET 17 1HG MET 17 -6.529 -7.616 11.669 129 2HG MET 17 2HG MET 17 -5.542 -9.035 11.958 130 1HE MET 17 1HE MET 17 -6.326 -8.229 14.769 131 2HE MET 17 2HE MET 17 -6.085 -6.510 15.163 132 3HE MET 17 3HE MET 17 -7.122 -6.972 13.792 133 H ASP 18 H ASP 18 -3.785 -7.236 7.693 134 HA ASP 18 HA ASP 18 -2.033 -5.142 8.040 135 1HB ASP 18 1HB ASP 18 -1.649 -7.263 6.709 136 2HB ASP 18 2HB ASP 18 -2.696 -6.629 5.455 137 H VAL 19 H VAL 19 -5.173 -5.420 6.433 138 HA VAL 19 HA VAL 19 -4.783 -3.068 4.809 139 HB VAL 19 HB VAL 19 -7.152 -4.876 5.319 140 1HG1 VAL 19 1HG1 VAL 19 -8.416 -3.242 4.459 141 2HG1 VAL 19 2HG1 VAL 19 -6.991 -2.262 4.039 142 3HG1 VAL 19 3HG1 VAL 19 -7.569 -3.517 2.917 143 1HG2 VAL 19 1HG2 VAL 19 -6.681 -5.858 3.192 144 2HG2 VAL 19 2HG2 VAL 19 -5.438 -4.636 2.830 145 3HG2 VAL 19 3HG2 VAL 19 -5.156 -5.841 4.109 146 H VAL 20 H VAL 20 -6.106 -3.994 7.965 147 HA VAL 20 HA VAL 20 -7.641 -1.644 8.331 148 HB VAL 20 HB VAL 20 -6.525 -3.769 10.153 149 1HG1 VAL 20 1HG1 VAL 20 -6.668 -2.234 11.807 150 2HG1 VAL 20 2HG1 VAL 20 -7.702 -1.144 10.852 151 3HG1 VAL 20 3HG1 VAL 20 -8.416 -2.546 11.684 152 1HG2 VAL 20 1HG2 VAL 20 -8.738 -4.607 10.241 153 2HG2 VAL 20 2HG2 VAL 20 -9.414 -3.127 9.520 154 3HG2 VAL 20 3HG2 VAL 20 -8.437 -4.234 8.527 155 H GLU 21 H GLU 21 -4.275 -2.652 9.147 156 HA GLU 21 HA GLU 21 -3.683 -0.354 10.594 157 1HB GLU 21 1HB GLU 21 -2.092 -2.527 9.249 158 2HB GLU 21 2HB GLU 21 -1.235 -1.088 9.763 159 1HG GLU 21 1HG GLU 21 -3.141 -2.273 11.755 160 2HG GLU 21 2HG GLU 21 -1.706 -3.216 11.405 161 H LEU 22 H LEU 22 -3.123 -1.247 7.124 162 HA LEU 22 HA LEU 22 -1.836 1.079 6.368 163 1HB LEU 22 1HB LEU 22 -2.074 -1.059 5.092 164 2HB LEU 22 2HB LEU 22 -3.717 -0.592 4.699 165 HG LEU 22 HG LEU 22 -2.468 1.611 3.816 166 1HD1 LEU 22 1HD1 LEU 22 -0.416 -0.465 3.096 167 2HD1 LEU 22 2HD1 LEU 22 -0.318 1.310 3.008 168 3HD1 LEU 22 3HD1 LEU 22 -0.255 0.493 4.588 169 1HD2 LEU 22 1HD2 LEU 22 -3.761 0.711 2.204 170 2HD2 LEU 22 2HD2 LEU 22 -2.206 0.100 1.591 171 3HD2 LEU 22 3HD2 LEU 22 -3.254 -0.956 2.568 172 H ILE 23 H ILE 23 -5.372 0.279 6.071 173 HA ILE 23 HA ILE 23 -6.160 2.722 5.104 174 HB ILE 23 HB ILE 23 -7.534 0.613 6.743 175 1HG1 ILE 23 1HG1 ILE 23 -6.815 0.302 4.297 176 2HG1 ILE 23 2HG1 ILE 23 -8.464 -0.103 4.733 177 1HG2 ILE 23 1HG2 ILE 23 -9.676 1.853 6.019 178 2HG2 ILE 23 2HG2 ILE 23 -8.776 2.460 7.430 179 3HG2 ILE 23 3HG2 ILE 23 -8.621 3.278 5.857 180 1HD1 ILE 23 1HD1 ILE 23 -7.977 1.397 2.598 181 2HD1 ILE 23 2HD1 ILE 23 -9.369 1.764 3.645 182 3HD1 ILE 23 3HD1 ILE 23 -7.868 2.708 3.798 183 H SER 24 H SER 24 -5.462 1.693 8.464 184 HA SER 24 HA SER 24 -6.617 3.943 9.644 185 1HB SER 24 1HB SER 24 -4.709 1.780 10.507 186 2HB SER 24 2HB SER 24 -4.846 3.198 11.527 187 HG SER 24 HG SER 24 -6.845 1.254 10.854 188 H ALA 25 H ALA 25 -3.339 3.168 8.394 189 HA ALA 25 HA ALA 25 -2.014 5.389 9.449 190 1HB ALA 25 1HB ALA 25 -1.591 3.336 7.342 191 2HB ALA 25 2HB ALA 25 -0.682 4.852 7.129 192 3HB ALA 25 3HB ALA 25 -0.494 3.905 8.624 193 H MET 26 H MET 26 -3.280 4.871 6.074 194 HA MET 26 HA MET 26 -2.822 7.374 5.169 195 1HB MET 26 1HB MET 26 -5.099 5.405 4.602 196 2HB MET 26 2HB MET 26 -4.878 6.858 3.648 197 1HG MET 26 1HG MET 26 -2.580 6.126 3.025 198 2HG MET 26 2HG MET 26 -2.746 4.698 4.027 199 1HE MET 26 1HE MET 26 -4.084 6.735 1.114 200 2HE MET 26 2HE MET 26 -5.122 5.617 0.197 201 3HE MET 26 3HE MET 26 -5.686 6.286 1.748 202 H GLU 27 H GLU 27 -5.607 6.185 7.111 203 HA GLU 27 HA GLU 27 -7.303 8.273 6.791 204 1HB GLU 27 1HB GLU 27 -6.800 6.231 8.900 205 2HB GLU 27 2HB GLU 27 -7.697 7.636 9.440 206 1HG GLU 27 1HG GLU 27 -9.237 7.312 7.415 207 2HG GLU 27 2HG GLU 27 -8.417 5.792 7.118 208 H GLU 28 H GLU 28 -4.644 7.936 9.240 209 HA GLU 28 HA GLU 28 -5.195 10.507 10.289 210 1HB GLU 28 1HB GLU 28 -4.179 8.461 11.508 211 2HB GLU 28 2HB GLU 28 -2.665 8.880 10.733 212 1HG GLU 28 1HG GLU 28 -3.442 11.339 11.734 213 2HG GLU 28 2HG GLU 28 -4.105 10.260 12.946 214 H LYS 29 H LYS 29 -2.639 9.048 8.184 215 HA LYS 29 HA LYS 29 -0.970 11.213 7.994 216 1HB LYS 29 1HB LYS 29 -0.361 9.045 7.143 217 2HB LYS 29 2HB LYS 29 -1.665 9.067 5.972 218 1HG LYS 29 1HG LYS 29 0.221 9.710 4.692 219 2HG LYS 29 2HG LYS 29 -0.566 11.237 5.040 220 1HD LYS 29 1HD LYS 29 1.058 11.043 7.239 221 2HD LYS 29 2HD LYS 29 2.025 10.154 6.079 222 1HE LYS 29 1HE LYS 29 2.778 12.344 5.709 223 2HE LYS 29 2HE LYS 29 1.542 12.200 4.475 224 1HZ LYS 29 1HZ LYS 29 1.194 14.197 5.643 225 2HZ LYS 29 2HZ LYS 29 -0.006 13.191 6.104 226 3HZ LYS 29 3HZ LYS 29 1.254 13.471 7.104 227 H PHE 30 H PHE 30 -3.462 10.343 5.491 228 HA PHE 30 HA PHE 30 -3.323 12.971 4.413 229 1HB PHE 30 1HB PHE 30 -5.174 10.537 4.078 230 2HB PHE 30 2HB PHE 30 -5.320 11.966 3.074 231 HD1 PHE 30 1HD PHE 30 -3.558 12.526 1.448 232 HD2 PHE 30 2HD PHE 30 -3.388 8.960 3.741 233 HE1 PHE 30 1HE PHE 30 -1.842 11.594 -0.129 234 HE2 PHE 30 2HE PHE 30 -1.672 8.028 2.164 235 HZ PHE 30 HZ PHE 30 -0.920 9.356 0.248 236 H GLY 31 H GLY 31 -4.668 11.898 7.257 237 1HA GLY 31 1HA GLY 31 -6.389 12.548 8.567 238 2HA GLY 31 2HA GLY 31 -6.026 14.140 7.930 239 H VAL 32 H VAL 32 -7.490 11.144 6.469 240 HA VAL 32 HA VAL 32 -9.790 12.822 5.734 241 HB VAL 32 HB VAL 32 -8.309 12.234 3.839 242 1HG1 VAL 32 1HG1 VAL 32 -7.790 9.908 4.956 243 2HG1 VAL 32 2HG1 VAL 32 -9.214 9.376 4.030 244 3HG1 VAL 32 3HG1 VAL 32 -7.812 10.073 3.184 245 1HG2 VAL 32 1HG2 VAL 32 -10.120 12.260 2.528 246 2HG2 VAL 32 2HG2 VAL 32 -10.628 10.644 3.075 247 3HG2 VAL 32 3HG2 VAL 32 -11.093 12.087 4.008 248 H SER 33 H SER 33 -10.197 11.953 8.121 249 HA SER 33 HA SER 33 -11.603 9.421 7.771 250 1HB SER 33 1HB SER 33 -11.188 9.004 10.212 251 2HB SER 33 2HB SER 33 -9.720 9.036 9.255 252 HG SER 33 HG SER 33 -9.336 10.291 11.097 253 H ALA 34 H ALA 34 -13.141 11.387 7.012 254 HA ALA 34 HA ALA 34 -15.221 11.511 8.826 255 1HB ALA 34 1HB ALA 34 -14.677 14.271 8.895 256 2HB ALA 34 2HB ALA 34 -14.593 13.130 10.258 257 3HB ALA 34 3HB ALA 34 -13.133 13.487 9.306 258 H ALA 35 H ALA 35 -15.628 10.742 6.465 259 HA ALA 35 HA ALA 35 -17.071 12.812 5.177 260 1HB ALA 35 1HB ALA 35 -14.906 13.493 4.336 261 2HB ALA 35 2HB ALA 35 -14.497 11.818 3.894 262 3HB ALA 35 3HB ALA 35 -15.780 12.682 3.014 263 H ALA 36 H ALA 36 -18.532 10.995 5.915 264 HA ALA 36 HA ALA 36 -18.507 8.440 5.091 265 1HB ALA 36 1HB ALA 36 -21.130 9.006 4.746 266 2HB ALA 36 2HB ALA 36 -20.363 8.911 6.349 267 3HB ALA 36 3HB ALA 36 -20.617 10.495 5.577 268 H ALA 37 H ALA 37 -18.394 7.358 3.185 269 HA ALA 37 HA ALA 37 -19.709 8.290 0.860 270 1HB ALA 37 1HB ALA 37 -17.986 9.874 0.562 271 2HB ALA 37 2HB ALA 37 -16.733 8.758 1.156 272 3HB ALA 37 3HB ALA 37 -17.472 8.497 -0.441 273 1H SER 1 H SER 1 10.474 -4.026 -1.557 274 HA SER 1 HA SER 1 10.475 -4.319 1.310 275 1HB SER 1 1HB SER 1 11.011 -1.902 1.653 276 2HB SER 1 2HB SER 1 12.352 -2.799 0.968 277 HG SER 1 HG SER 1 10.545 -0.998 -0.386 278 H ILE 2 H ILE 2 8.246 -5.022 0.588 279 HA ILE 2 HA ILE 2 6.581 -2.778 -0.268 280 HB ILE 2 HB ILE 2 5.827 -5.690 -0.075 281 1HG1 ILE 2 1HG1 ILE 2 6.960 -4.221 -2.475 282 2HG1 ILE 2 2HG1 ILE 2 7.807 -5.431 -1.531 283 1HG2 ILE 2 1HG2 ILE 2 4.536 -4.104 -2.128 284 2HG2 ILE 2 2HG2 ILE 2 3.826 -5.073 -0.815 285 3HG2 ILE 2 3HG2 ILE 2 4.309 -3.386 -0.515 286 1HD1 ILE 2 1HD1 ILE 2 6.265 -5.969 -3.760 287 2HD1 ILE 2 2HD1 ILE 2 6.682 -7.163 -2.508 288 3HD1 ILE 2 3HD1 ILE 2 5.122 -6.309 -2.439 289 H THR 3 H THR 3 7.342 -2.122 2.144 290 HA THR 3 HA THR 3 5.765 -3.382 4.192 291 HB THR 3 HB THR 3 6.784 -1.425 5.523 292 HG1 THR 3 1HG THR 3 7.919 0.043 4.264 293 1HG2 THR 3 1HG2 THR 3 8.066 -3.540 5.429 294 2HG2 THR 3 2HG2 THR 3 8.665 -3.128 3.805 295 3HG2 THR 3 3HG2 THR 3 9.181 -2.170 5.213 296 H LYS 4 H LYS 4 4.206 -2.191 5.556 297 HA LYS 4 HA LYS 4 2.118 -1.218 4.023 298 1HB LYS 4 1HB LYS 4 2.775 -1.289 6.944 299 2HB LYS 4 2HB LYS 4 1.430 -0.296 6.419 300 1HG LYS 4 1HG LYS 4 0.435 -2.266 5.239 301 2HG LYS 4 2HG LYS 4 1.781 -3.259 5.758 302 1HD LYS 4 1HD LYS 4 0.528 -1.820 8.011 303 2HD LYS 4 2HD LYS 4 -0.614 -2.847 7.167 304 1HE LYS 4 1HE LYS 4 0.289 -4.377 8.687 305 2HE LYS 4 2HE LYS 4 1.326 -4.658 7.303 306 1HZ LYS 4 1HZ LYS 4 2.679 -4.361 9.186 307 2HZ LYS 4 2HZ LYS 4 2.856 -3.007 8.290 308 3HZ LYS 4 3HZ LYS 4 1.929 -2.981 9.634 309 H ASP 5 H ASP 5 4.697 0.515 5.863 310 HA ASP 5 HA ASP 5 3.638 3.028 5.569 311 1HB ASP 5 1HB ASP 5 6.411 1.903 5.964 312 2HB ASP 5 2HB ASP 5 6.268 3.611 5.598 313 H GLN 6 H GLN 6 6.006 1.155 3.547 314 HA GLN 6 HA GLN 6 6.686 3.086 1.776 315 1HB GLN 6 1HB GLN 6 6.525 0.099 1.704 316 2HB GLN 6 2HB GLN 6 6.681 0.895 0.151 317 1HG GLN 6 1HG GLN 6 8.519 1.466 2.523 318 2HG GLN 6 2HG GLN 6 8.889 0.289 1.278 319 1HE2 GLN 6 1HE2 GLN 6 10.213 2.795 2.072 320 2HE2 GLN 6 2HE2 GLN 6 10.326 3.784 0.654 321 H ILE 7 H ILE 7 3.644 1.284 2.055 322 HA ILE 7 HA ILE 7 2.785 1.922 -0.601 323 HB ILE 7 HB ILE 7 1.465 0.661 1.795 324 1HG1 ILE 7 1HG1 ILE 7 2.056 -0.605 -0.878 325 2HG1 ILE 7 2HG1 ILE 7 3.282 -0.515 0.371 326 1HG2 ILE 7 1HG2 ILE 7 0.282 1.454 -0.858 327 2HG2 ILE 7 2HG2 ILE 7 -0.341 0.057 0.054 328 3HG2 ILE 7 3HG2 ILE 7 -0.368 1.681 0.784 329 1HD1 ILE 7 1HD1 ILE 7 2.296 -2.579 0.860 330 2HD1 ILE 7 2HD1 ILE 7 1.366 -1.501 1.929 331 3HD1 ILE 7 3HD1 ILE 7 0.672 -2.032 0.378 332 H ILE 8 H ILE 8 2.535 3.309 2.664 333 HA ILE 8 HA ILE 8 0.377 4.996 2.240 334 HB ILE 8 HB ILE 8 2.828 5.350 3.969 335 1HG1 ILE 8 1HG1 ILE 8 1.694 3.284 4.481 336 2HG1 ILE 8 2HG1 ILE 8 1.393 4.445 5.759 337 1HG2 ILE 8 1HG2 ILE 8 0.383 6.991 3.606 338 2HG2 ILE 8 2HG2 ILE 8 0.896 6.681 5.282 339 3HG2 ILE 8 3HG2 ILE 8 2.018 7.454 4.136 340 1HD1 ILE 8 1HD1 ILE 8 -0.729 3.431 5.293 341 2HD1 ILE 8 2HD1 ILE 8 -0.797 5.040 4.534 342 3HD1 ILE 8 3HD1 ILE 8 -0.504 3.596 3.535 343 H GLU 9 H GLU 9 3.888 5.408 1.513 344 HA GLU 9 HA GLU 9 3.521 8.064 0.645 345 1HB GLU 9 1HB GLU 9 5.778 6.050 0.484 346 2HB GLU 9 2HB GLU 9 5.895 7.567 -0.386 347 1HG GLU 9 1HG GLU 9 5.262 8.701 1.884 348 2HG GLU 9 2HG GLU 9 5.626 7.151 2.615 349 H ALA 10 H ALA 10 2.680 5.051 -0.703 350 HA ALA 10 HA ALA 10 3.315 5.648 -3.427 351 1HB ALA 10 1HB ALA 10 1.302 3.594 -2.503 352 2HB ALA 10 2HB ALA 10 2.441 3.520 -3.868 353 3HB ALA 10 3HB ALA 10 3.038 3.351 -2.200 354 H VAL 11 H VAL 11 0.423 5.810 -1.279 355 HA VAL 11 HA VAL 11 -1.317 6.601 -3.375 356 HB VAL 11 HB VAL 11 -1.448 6.614 -0.365 357 1HG1 VAL 11 1HG1 VAL 11 -3.180 8.023 -2.290 358 2HG1 VAL 11 2HG1 VAL 11 -4.050 6.954 -1.163 359 3HG1 VAL 11 3HG1 VAL 11 -2.995 8.242 -0.533 360 1HG2 VAL 11 1HG2 VAL 11 -3.135 4.851 -0.733 361 2HG2 VAL 11 2HG2 VAL 11 -2.886 4.988 -2.490 362 3HG2 VAL 11 3HG2 VAL 11 -1.560 4.424 -1.444 363 H ALA 12 H ALA 12 0.953 8.232 -1.195 364 HA ALA 12 HA ALA 12 -0.167 10.830 -1.754 365 1HB ALA 12 1HB ALA 12 2.420 10.997 -0.567 366 2HB ALA 12 2HB ALA 12 0.838 11.231 0.214 367 3HB ALA 12 3HB ALA 12 1.586 9.617 0.185 368 H ALA 13 H ALA 13 1.417 8.660 -3.638 369 HA ALA 13 HA ALA 13 3.210 10.649 -4.825 370 1HB ALA 13 1HB ALA 13 4.170 8.452 -4.195 371 2HB ALA 13 2HB ALA 13 2.989 7.641 -5.251 372 3HB ALA 13 3HB ALA 13 4.224 8.714 -5.954 373 H MET 14 H MET 14 0.196 8.865 -5.226 374 HA MET 14 HA MET 14 0.124 9.598 -8.029 375 1HB MET 14 1HB MET 14 -1.771 7.907 -6.302 376 2HB MET 14 2HB MET 14 -1.925 8.111 -8.036 377 1HG MET 14 1HG MET 14 0.466 7.163 -8.241 378 2HG MET 14 2HG MET 14 0.363 6.750 -6.542 379 1HE MET 14 1HE MET 14 0.333 4.037 -6.599 380 2HE MET 14 2HE MET 14 -0.137 3.287 -8.144 381 3HE MET 14 3HE MET 14 1.079 4.587 -8.118 382 H SER 15 H SER 15 -2.189 10.328 -8.823 383 HA SER 15 HA SER 15 -2.699 12.725 -7.421 384 1HB SER 15 1HB SER 15 -4.708 12.597 -9.273 385 2HB SER 15 2HB SER 15 -3.090 13.168 -9.625 386 HG SER 15 HG SER 15 -4.355 10.750 -10.362 387 H VAL 16 H VAL 16 -4.957 13.410 -6.734 388 HA VAL 16 HA VAL 16 -5.992 11.641 -4.873 389 HB VAL 16 HB VAL 16 -7.204 14.067 -6.208 390 1HG1 VAL 16 1HG1 VAL 16 -8.745 12.342 -4.941 391 2HG1 VAL 16 2HG1 VAL 16 -8.043 13.103 -3.493 392 3HG1 VAL 16 3HG1 VAL 16 -8.930 14.092 -4.678 393 1HG2 VAL 16 1HG2 VAL 16 -5.146 14.630 -5.097 394 2HG2 VAL 16 2HG2 VAL 16 -6.495 15.195 -4.082 395 3HG2 VAL 16 3HG2 VAL 16 -5.616 13.710 -3.647 396 H MET 17 H MET 17 -7.052 12.424 -8.238 397 HA MET 17 HA MET 17 -9.380 10.970 -8.178 398 1HB MET 17 1HB MET 17 -7.444 11.961 -10.266 399 2HB MET 17 2HB MET 17 -8.579 10.736 -10.799 400 1HG MET 17 1HG MET 17 -10.089 12.619 -9.250 401 2HG MET 17 2HG MET 17 -9.058 13.561 -10.307 402 1HE MET 17 1HE MET 17 -11.923 13.981 -12.390 403 2HE MET 17 2HE MET 17 -10.545 14.582 -11.436 404 3HE MET 17 3HE MET 17 -10.289 13.992 -13.096 405 H ASP 18 H ASP 18 -6.016 9.958 -9.035 406 HA ASP 18 HA ASP 18 -6.639 7.467 -9.979 407 1HB ASP 18 1HB ASP 18 -4.402 8.430 -10.198 408 2HB ASP 18 2HB ASP 18 -4.202 8.493 -8.459 409 H VAL 19 H VAL 19 -6.526 8.802 -6.700 410 HA VAL 19 HA VAL 19 -6.273 6.242 -5.416 411 HB VAL 19 HB VAL 19 -6.804 9.042 -4.410 412 1HG1 VAL 19 1HG1 VAL 19 -7.778 7.317 -2.908 413 2HG1 VAL 19 2HG1 VAL 19 -6.173 6.558 -2.781 414 3HG1 VAL 19 3HG1 VAL 19 -6.429 8.207 -2.163 415 1HG2 VAL 19 1HG2 VAL 19 -4.545 8.452 -5.460 416 2HG2 VAL 19 2HG2 VAL 19 -4.519 9.134 -3.816 417 3HG2 VAL 19 3HG2 VAL 19 -4.297 7.384 -4.058 418 H VAL 20 H VAL 20 -8.826 8.449 -6.507 419 HA VAL 20 HA VAL 20 -10.891 7.281 -4.963 420 HB VAL 20 HB VAL 20 -10.861 8.923 -7.499 421 1HG1 VAL 20 1HG1 VAL 20 -13.016 7.400 -6.392 422 2HG1 VAL 20 2HG1 VAL 20 -13.360 9.128 -6.137 423 3HG1 VAL 20 3HG1 VAL 20 -13.034 8.518 -7.777 424 1HG2 VAL 20 1HG2 VAL 20 -10.060 10.275 -5.758 425 2HG2 VAL 20 2HG2 VAL 20 -11.798 10.654 -5.827 426 3HG2 VAL 20 3HG2 VAL 20 -11.174 9.565 -4.565 427 H GLU 21 H GLU 21 -9.326 6.561 -8.089 428 HA GLU 21 HA GLU 21 -11.314 4.742 -8.899 429 1HB GLU 21 1HB GLU 21 -8.530 5.461 -9.795 430 2HB GLU 21 2HB GLU 21 -9.215 3.957 -10.379 431 1HG GLU 21 1HG GLU 21 -11.100 6.246 -10.526 432 2HG GLU 21 2HG GLU 21 -9.658 6.470 -11.495 433 H LEU 22 H LEU 22 -8.053 4.414 -7.350 434 HA LEU 22 HA LEU 22 -7.961 1.671 -7.194 435 1HB LEU 22 1HB LEU 22 -6.169 3.331 -6.658 436 2HB LEU 22 2HB LEU 22 -6.965 3.632 -5.126 437 HG LEU 22 HG LEU 22 -6.725 1.017 -4.830 438 1HD1 LEU 22 1HD1 LEU 22 -5.176 -0.097 -6.055 439 2HD1 LEU 22 2HD1 LEU 22 -5.669 1.090 -7.287 440 3HD1 LEU 22 3HD1 LEU 22 -4.185 1.355 -6.340 441 1HD2 LEU 22 1HD2 LEU 22 -5.702 2.908 -3.485 442 2HD2 LEU 22 2HD2 LEU 22 -4.801 1.373 -3.508 443 3HD2 LEU 22 3HD2 LEU 22 -4.261 2.737 -4.516 444 H ILE 23 H ILE 23 -9.200 3.966 -4.658 445 HA ILE 23 HA ILE 23 -10.092 2.054 -2.910 446 HB ILE 23 HB ILE 23 -11.002 4.854 -3.516 447 1HG1 ILE 23 1HG1 ILE 23 -9.582 3.783 -1.072 448 2HG1 ILE 23 2HG1 ILE 23 -8.715 4.303 -2.504 449 1HG2 ILE 23 1HG2 ILE 23 -12.295 2.834 -1.785 450 2HG2 ILE 23 2HG2 ILE 23 -12.006 4.425 -1.042 451 3HG2 ILE 23 3HG2 ILE 23 -12.956 4.303 -2.542 452 1HD1 ILE 23 1HD1 ILE 23 -8.904 6.141 -0.843 453 2HD1 ILE 23 2HD1 ILE 23 -9.758 6.551 -2.351 454 3HD1 ILE 23 3HD1 ILE 23 -10.679 6.026 -0.921 455 H SER 24 H SER 24 -11.761 3.485 -5.772 456 HA SER 24 HA SER 24 -14.221 2.370 -5.251 457 1HB SER 24 1HB SER 24 -12.816 3.444 -7.679 458 2HB SER 24 2HB SER 24 -14.275 2.513 -7.954 459 HG SER 24 HG SER 24 -14.226 5.050 -7.398 460 H ALA 25 H ALA 25 -11.305 1.080 -6.899 461 HA ALA 25 HA ALA 25 -12.495 -1.146 -8.083 462 1HB ALA 25 1HB ALA 25 -9.876 -1.868 -7.424 463 2HB ALA 25 2HB ALA 25 -10.402 -1.046 -8.913 464 3HB ALA 25 3HB ALA 25 -9.821 -0.092 -7.527 465 H MET 26 H MET 26 -10.566 -0.955 -5.000 466 HA MET 26 HA MET 26 -11.038 -3.501 -4.185 467 1HB MET 26 1HB MET 26 -10.700 -0.881 -2.636 468 2HB MET 26 2HB MET 26 -10.744 -2.429 -1.816 469 1HG MET 26 1HG MET 26 -8.839 -3.182 -3.388 470 2HG MET 26 2HG MET 26 -8.714 -1.511 -3.901 471 1HE MET 26 1HE MET 26 -6.054 -1.956 -2.953 472 2HE MET 26 2HE MET 26 -6.827 -0.360 -3.116 473 3HE MET 26 3HE MET 26 -5.883 -0.748 -1.657 474 H GLU 27 H GLU 27 -13.063 -0.556 -3.664 475 HA GLU 27 HA GLU 27 -14.832 -1.552 -1.876 476 1HB GLU 27 1HB GLU 27 -14.912 0.530 -4.015 477 2HB GLU 27 2HB GLU 27 -16.474 -0.002 -3.426 478 1HG GLU 27 1HG GLU 27 -15.505 0.353 -1.034 479 2HG GLU 27 2HG GLU 27 -14.194 1.214 -1.815 480 H GLU 28 H GLU 28 -14.769 -1.989 -5.454 481 HA GLU 28 HA GLU 28 -17.271 -3.337 -5.422 482 1HB GLU 28 1HB GLU 28 -16.187 -1.922 -7.334 483 2HB GLU 28 2HB GLU 28 -15.277 -3.371 -7.711 484 1HG GLU 28 1HG GLU 28 -17.769 -4.464 -7.523 485 2HG GLU 28 2HG GLU 28 -18.215 -2.840 -8.007 486 H LYS 29 H LYS 29 -13.796 -4.260 -5.888 487 HA LYS 29 HA LYS 29 -14.224 -6.934 -6.434 488 1HB LYS 29 1HB LYS 29 -12.100 -5.877 -6.836 489 2HB LYS 29 2HB LYS 29 -11.893 -5.501 -5.138 490 1HG LYS 29 1HG LYS 29 -10.582 -7.449 -5.409 491 2HG LYS 29 2HG LYS 29 -12.072 -8.073 -4.729 492 1HD LYS 29 1HD LYS 29 -12.780 -8.281 -7.307 493 2HD LYS 29 2HD LYS 29 -11.047 -8.279 -7.564 494 1HE LYS 29 1HE LYS 29 -10.848 -10.166 -5.875 495 2HE LYS 29 2HE LYS 29 -12.597 -10.211 -5.774 496 1HZ LYS 29 1HZ LYS 29 -11.099 -10.548 -8.279 497 2HZ LYS 29 2HZ LYS 29 -11.660 -11.784 -7.370 498 3HZ LYS 29 3HZ LYS 29 -12.707 -10.747 -8.073 499 H PHE 30 H PHE 30 -13.208 -5.526 -3.235 500 HA PHE 30 HA PHE 30 -13.877 -7.970 -1.932 501 1HB PHE 30 1HB PHE 30 -13.191 -5.119 -0.994 502 2HB PHE 30 2HB PHE 30 -13.282 -6.491 0.093 503 HD1 PHE 30 1HD PHE 30 -11.621 -8.341 -0.119 504 HD2 PHE 30 2HD PHE 30 -11.262 -4.741 -2.337 505 HE1 PHE 30 1HE PHE 30 -9.207 -8.859 -0.570 506 HE2 PHE 30 2HE PHE 30 -8.848 -5.259 -2.788 507 HZ PHE 30 HZ PHE 30 -7.849 -7.312 -1.899 508 H GLY 31 H GLY 31 -15.837 -5.615 -3.219 509 1HA GLY 31 1HA GLY 31 -17.911 -4.843 -2.782 510 2HA GLY 31 2HA GLY 31 -18.189 -6.456 -2.157 511 H VAL 32 H VAL 32 -16.214 -3.629 -0.988 512 HA VAL 32 HA VAL 32 -17.669 -3.872 1.554 513 HB VAL 32 HB VAL 32 -15.332 -4.509 1.724 514 1HG1 VAL 32 1HG1 VAL 32 -13.581 -2.676 1.393 515 2HG1 VAL 32 2HG1 VAL 32 -14.267 -3.407 -0.078 516 3HG1 VAL 32 3HG1 VAL 32 -14.824 -1.805 0.463 517 1HG2 VAL 32 1HG2 VAL 32 -16.605 -2.412 3.214 518 2HG2 VAL 32 2HG2 VAL 32 -15.446 -3.641 3.773 519 3HG2 VAL 32 3HG2 VAL 32 -14.857 -2.087 3.136 520 H SER 33 H SER 33 -19.069 -2.511 -0.277 521 HA SER 33 HA SER 33 -18.283 0.269 0.071 522 1HB SER 33 1HB SER 33 -19.743 0.755 -1.855 523 2HB SER 33 2HB SER 33 -18.560 -0.469 -2.273 524 HG SER 33 HG SER 33 -20.822 -1.665 -1.255 525 H ALA 34 H ALA 34 -19.579 1.645 1.286 526 HA ALA 34 HA ALA 34 -21.185 2.303 2.657 527 1HB ALA 34 1HB ALA 34 -23.543 1.633 2.058 528 2HB ALA 34 2HB ALA 34 -22.603 2.292 0.698 529 3HB ALA 34 3HB ALA 34 -22.861 0.536 0.833 530 H ALA 35 H ALA 35 -20.297 1.394 4.554 531 HA ALA 35 HA ALA 35 -21.923 -0.546 5.805 532 1HB ALA 35 1HB ALA 35 -19.161 -1.404 4.857 533 2HB ALA 35 2HB ALA 35 -20.101 -2.263 6.100 534 3HB ALA 35 3HB ALA 35 -20.725 -2.144 4.437 535 H ALA 36 H ALA 36 -22.076 1.101 7.383 536 HA ALA 36 HA ALA 36 -21.457 2.367 9.094 537 1HB ALA 36 1HB ALA 36 -21.089 0.563 10.457 538 2HB ALA 36 2HB ALA 36 -19.905 -0.171 9.348 539 3HB ALA 36 3HB ALA 36 -19.418 1.173 10.409 540 H ALA 37 H ALA 37 -20.767 3.986 7.405 541 HA ALA 37 HA ALA 37 -17.865 4.416 7.614 542 1HB ALA 37 1HB ALA 37 -18.651 3.701 5.330 543 2HB ALA 37 2HB ALA 37 -19.669 5.160 5.278 544 3HB ALA 37 3HB ALA 37 -17.898 5.313 5.363 Start of MODEL 8 1 1H SER 1 H SER 1 4.673 -1.982 -15.579 2 HA SER 1 HA SER 1 2.472 -1.913 -15.403 3 1HB SER 1 1HB SER 1 3.110 -4.572 -14.050 4 2HB SER 1 2HB SER 1 1.524 -4.144 -14.661 5 HG SER 1 HG SER 1 2.473 -3.914 -16.801 6 H ILE 2 H ILE 2 2.616 -0.055 -13.780 7 HA ILE 2 HA ILE 2 1.818 -0.906 -11.096 8 HB ILE 2 HB ILE 2 2.651 1.845 -12.003 9 1HG1 ILE 2 1HG1 ILE 2 4.383 -0.392 -10.914 10 2HG1 ILE 2 2HG1 ILE 2 4.467 0.306 -12.520 11 1HG2 ILE 2 1HG2 ILE 2 2.841 0.696 -9.226 12 2HG2 ILE 2 2HG2 ILE 2 2.829 2.398 -9.747 13 3HG2 ILE 2 3HG2 ILE 2 1.335 1.433 -9.826 14 1HD1 ILE 2 1HD1 ILE 2 5.065 1.706 -9.878 15 2HD1 ILE 2 2HD1 ILE 2 6.209 1.338 -11.191 16 3HD1 ILE 2 3HD1 ILE 2 4.941 2.563 -11.434 17 H THR 3 H THR 3 -0.221 -1.543 -12.565 18 HA THR 3 HA THR 3 -1.930 0.739 -13.075 19 HB THR 3 HB THR 3 -3.484 -1.151 -13.823 20 HG1 THR 3 1HG THR 3 -2.489 -3.267 -13.681 21 1HG2 THR 3 1HG2 THR 3 -1.769 -0.157 -15.428 22 2HG2 THR 3 2HG2 THR 3 -0.632 -1.424 -14.907 23 3HG2 THR 3 3HG2 THR 3 -2.137 -1.869 -15.747 24 H LYS 4 H LYS 4 -4.143 0.868 -12.181 25 HA LYS 4 HA LYS 4 -4.039 0.969 -9.411 26 1HB LYS 4 1HB LYS 4 -6.193 1.217 -11.480 27 2HB LYS 4 2HB LYS 4 -6.657 1.095 -9.795 28 1HG LYS 4 1HG LYS 4 -5.328 3.049 -9.200 29 2HG LYS 4 2HG LYS 4 -4.563 3.085 -10.776 30 1HD LYS 4 1HD LYS 4 -7.578 3.376 -10.443 31 2HD LYS 4 2HD LYS 4 -6.501 4.756 -10.367 32 1HE LYS 4 1HE LYS 4 -6.743 2.828 -12.727 33 2HE LYS 4 2HE LYS 4 -7.417 4.445 -12.662 34 1HZ LYS 4 1HZ LYS 4 -5.434 4.785 -13.692 35 2HZ LYS 4 2HZ LYS 4 -4.990 5.081 -12.148 36 3HZ LYS 4 3HZ LYS 4 -4.628 3.647 -12.841 37 H ASP 5 H ASP 5 -5.425 -1.505 -11.646 38 HA ASP 5 HA ASP 5 -6.655 -3.010 -9.716 39 1HB ASP 5 1HB ASP 5 -5.432 -3.639 -12.418 40 2HB ASP 5 2HB ASP 5 -6.084 -4.943 -11.446 41 H GLN 6 H GLN 6 -3.287 -3.045 -11.038 42 HA GLN 6 HA GLN 6 -2.431 -5.381 -9.916 43 1HB GLN 6 1HB GLN 6 -1.132 -2.859 -10.871 44 2HB GLN 6 2HB GLN 6 -0.145 -3.898 -9.862 45 1HG GLN 6 1HG GLN 6 -1.701 -5.005 -12.234 46 2HG GLN 6 2HG GLN 6 -0.104 -4.313 -12.433 47 1HE2 GLN 6 1HE2 GLN 6 0.010 -6.668 -13.215 48 2HE2 GLN 6 2HE2 GLN 6 0.605 -7.832 -12.078 49 H ILE 7 H ILE 7 -3.026 -2.219 -8.436 50 HA ILE 7 HA ILE 7 -1.459 -2.765 -6.107 51 HB ILE 7 HB ILE 7 -3.492 -0.629 -6.757 52 1HG1 ILE 7 1HG1 ILE 7 -1.551 -0.493 -8.188 53 2HG1 ILE 7 2HG1 ILE 7 -1.512 0.813 -7.020 54 1HG2 ILE 7 1HG2 ILE 7 -3.527 -0.690 -4.429 55 2HG2 ILE 7 2HG2 ILE 7 -1.798 -1.096 -4.312 56 3HG2 ILE 7 3HG2 ILE 7 -2.296 0.543 -4.795 57 1HD1 ILE 7 1HD1 ILE 7 0.172 -1.706 -7.090 58 2HD1 ILE 7 2HD1 ILE 7 0.702 -0.011 -6.973 59 3HD1 ILE 7 3HD1 ILE 7 -0.047 -0.809 -5.569 60 H ILE 8 H ILE 8 -4.841 -3.172 -7.170 61 HA ILE 8 HA ILE 8 -5.970 -3.635 -4.671 62 HB ILE 8 HB ILE 8 -6.700 -4.741 -7.385 63 1HG1 ILE 8 1HG1 ILE 8 -7.515 -2.216 -5.926 64 2HG1 ILE 8 2HG1 ILE 8 -6.650 -2.338 -7.445 65 1HG2 ILE 8 1HG2 ILE 8 -7.666 -5.966 -5.397 66 2HG2 ILE 8 2HG2 ILE 8 -8.505 -4.454 -4.976 67 3HG2 ILE 8 3HG2 ILE 8 -8.847 -5.260 -6.526 68 1HD1 ILE 8 1HD1 ILE 8 -9.564 -2.830 -6.870 69 2HD1 ILE 8 2HD1 ILE 8 -8.808 -1.984 -8.241 70 3HD1 ILE 8 3HD1 ILE 8 -8.799 -3.763 -8.178 71 H GLU 9 H GLU 9 -4.386 -5.879 -7.026 72 HA GLU 9 HA GLU 9 -4.889 -8.120 -5.400 73 1HB GLU 9 1HB GLU 9 -2.989 -7.677 -7.742 74 2HB GLU 9 2HB GLU 9 -3.240 -9.238 -6.988 75 1HG GLU 9 1HG GLU 9 -5.699 -9.067 -7.491 76 2HG GLU 9 2HG GLU 9 -5.417 -7.530 -8.283 77 H ALA 10 H ALA 10 -2.646 -5.521 -5.216 78 HA ALA 10 HA ALA 10 -0.479 -7.015 -4.090 79 1HB ALA 10 1HB ALA 10 -1.000 -4.023 -3.972 80 2HB ALA 10 2HB ALA 10 0.563 -4.866 -3.853 81 3HB ALA 10 3HB ALA 10 -0.319 -4.840 -5.399 82 H VAL 11 H VAL 11 -3.297 -5.118 -2.929 83 HA VAL 11 HA VAL 11 -2.433 -5.320 -0.194 84 HB VAL 11 HB VAL 11 -4.872 -4.245 -1.601 85 1HG1 VAL 11 1HG1 VAL 11 -4.367 -4.527 1.371 86 2HG1 VAL 11 2HG1 VAL 11 -5.492 -3.324 0.695 87 3HG1 VAL 11 3HG1 VAL 11 -5.781 -5.061 0.431 88 1HG2 VAL 11 1HG2 VAL 11 -4.052 -2.088 -0.886 89 2HG2 VAL 11 2HG2 VAL 11 -2.755 -2.848 0.067 90 3HG2 VAL 11 3HG2 VAL 11 -2.735 -2.957 -1.710 91 H ALA 12 H ALA 12 -4.116 -7.284 -2.508 92 HA ALA 12 HA ALA 12 -5.646 -8.684 -0.488 93 1HB ALA 12 1HB ALA 12 -6.715 -9.726 -2.299 94 2HB ALA 12 2HB ALA 12 -6.326 -8.114 -2.947 95 3HB ALA 12 3HB ALA 12 -5.313 -9.514 -3.376 96 H ALA 13 H ALA 13 -2.489 -8.520 -0.856 97 HA ALA 13 HA ALA 13 -2.017 -11.405 -1.041 98 1HB ALA 13 1HB ALA 13 -0.725 -9.927 -2.547 99 2HB ALA 13 2HB ALA 13 -0.099 -9.041 -1.135 100 3HB ALA 13 3HB ALA 13 0.334 -10.751 -1.377 101 H MET 14 H MET 14 -2.147 -8.642 1.131 102 HA MET 14 HA MET 14 -0.648 -10.075 3.139 103 1HB MET 14 1HB MET 14 -1.979 -7.309 3.100 104 2HB MET 14 2HB MET 14 -1.030 -7.912 4.444 105 1HG MET 14 1HG MET 14 0.788 -7.016 3.404 106 2HG MET 14 2HG MET 14 0.669 -8.337 2.258 107 1HE MET 14 1HE MET 14 0.315 -4.019 1.355 108 2HE MET 14 2HE MET 14 0.035 -4.617 3.008 109 3HE MET 14 3HE MET 14 1.551 -5.012 2.163 110 H SER 15 H SER 15 -1.668 -9.842 5.502 111 HA SER 15 HA SER 15 -4.025 -11.368 5.382 112 1HB SER 15 1HB SER 15 -3.815 -10.698 8.026 113 2HB SER 15 2HB SER 15 -2.920 -12.004 7.274 114 HG SER 15 HG SER 15 -1.077 -10.887 7.421 115 H VAL 16 H VAL 16 -6.071 -10.790 6.636 116 HA VAL 16 HA VAL 16 -7.156 -8.447 5.634 117 HB VAL 16 HB VAL 16 -7.987 -10.237 7.924 118 1HG1 VAL 16 1HG1 VAL 16 -9.554 -8.056 6.506 119 2HG1 VAL 16 2HG1 VAL 16 -10.261 -9.271 7.598 120 3HG1 VAL 16 3HG1 VAL 16 -9.078 -8.095 8.221 121 1HG2 VAL 16 1HG2 VAL 16 -8.011 -11.544 5.983 122 2HG2 VAL 16 2HG2 VAL 16 -9.687 -10.957 6.107 123 3HG2 VAL 16 3HG2 VAL 16 -8.559 -10.193 4.961 124 H MET 17 H MET 17 -5.796 -9.215 8.896 125 HA MET 17 HA MET 17 -6.421 -6.805 10.062 126 1HB MET 17 1HB MET 17 -4.400 -9.006 10.472 127 2HB MET 17 2HB MET 17 -4.073 -7.501 11.310 128 1HG MET 17 1HG MET 17 -6.778 -8.905 11.469 129 2HG MET 17 2HG MET 17 -5.479 -9.238 12.597 130 1HE MET 17 1HE MET 17 -6.611 -8.211 14.932 131 2HE MET 17 2HE MET 17 -7.930 -7.048 14.656 132 3HE MET 17 3HE MET 17 -7.905 -8.592 13.770 133 H ASP 18 H ASP 18 -3.502 -7.812 8.177 134 HA ASP 18 HA ASP 18 -2.046 -5.522 8.642 135 1HB ASP 18 1HB ASP 18 -1.150 -7.621 7.633 136 2HB ASP 18 2HB ASP 18 -2.093 -7.336 6.184 137 H VAL 19 H VAL 19 -4.803 -6.241 6.551 138 HA VAL 19 HA VAL 19 -4.336 -4.027 4.775 139 HB VAL 19 HB VAL 19 -6.503 -6.087 5.133 140 1HG1 VAL 19 1HG1 VAL 19 -7.545 -5.126 3.057 141 2HG1 VAL 19 2HG1 VAL 19 -7.705 -4.105 4.506 142 3HG1 VAL 19 3HG1 VAL 19 -6.500 -3.700 3.260 143 1HG2 VAL 19 1HG2 VAL 19 -4.208 -5.639 3.284 144 2HG2 VAL 19 2HG2 VAL 19 -4.887 -7.153 3.930 145 3HG2 VAL 19 3HG2 VAL 19 -5.696 -6.319 2.582 146 H VAL 20 H VAL 20 -6.241 -4.794 7.702 147 HA VAL 20 HA VAL 20 -7.908 -2.540 7.591 148 HB VAL 20 HB VAL 20 -6.974 -4.408 9.755 149 1HG1 VAL 20 1HG1 VAL 20 -8.773 -3.329 11.194 150 2HG1 VAL 20 2HG1 VAL 20 -7.276 -2.392 10.975 151 3HG1 VAL 20 3HG1 VAL 20 -8.737 -1.963 10.053 152 1HG2 VAL 20 1HG2 VAL 20 -8.615 -5.142 7.982 153 2HG2 VAL 20 2HG2 VAL 20 -9.200 -5.280 9.658 154 3HG2 VAL 20 3HG2 VAL 20 -9.751 -3.935 8.631 155 H GLU 21 H GLU 21 -4.678 -3.156 9.089 156 HA GLU 21 HA GLU 21 -4.478 -0.681 10.310 157 1HB GLU 21 1HB GLU 21 -2.437 -2.707 9.343 158 2HB GLU 21 2HB GLU 21 -1.924 -1.203 10.081 159 1HG GLU 21 1HG GLU 21 -3.323 -1.733 12.100 160 2HG GLU 21 2HG GLU 21 -3.794 -3.252 11.363 161 H LEU 22 H LEU 22 -3.456 -1.840 7.039 162 HA LEU 22 HA LEU 22 -2.183 0.455 6.195 163 1HB LEU 22 1HB LEU 22 -2.169 -1.727 5.061 164 2HB LEU 22 2HB LEU 22 -3.840 -1.495 4.588 165 HG LEU 22 HG LEU 22 -1.964 0.660 3.782 166 1HD1 LEU 22 1HD1 LEU 22 -1.661 -2.180 2.874 167 2HD1 LEU 22 2HD1 LEU 22 -1.399 -0.852 1.718 168 3HD1 LEU 22 3HD1 LEU 22 -0.422 -0.945 3.204 169 1HD2 LEU 22 1HD2 LEU 22 -3.285 0.569 1.716 170 2HD2 LEU 22 2HD2 LEU 22 -4.167 -0.844 2.344 171 3HD2 LEU 22 3HD2 LEU 22 -4.317 0.732 3.158 172 H ILE 23 H ILE 23 -5.618 -0.480 5.439 173 HA ILE 23 HA ILE 23 -6.338 1.885 4.288 174 HB ILE 23 HB ILE 23 -7.858 -0.197 5.824 175 1HG1 ILE 23 1HG1 ILE 23 -7.934 0.568 2.894 176 2HG1 ILE 23 2HG1 ILE 23 -6.867 -0.658 3.551 177 1HG2 ILE 23 1HG2 ILE 23 -8.960 2.342 4.608 178 2HG2 ILE 23 2HG2 ILE 23 -9.947 0.895 4.925 179 3HG2 ILE 23 3HG2 ILE 23 -9.149 1.741 6.272 180 1HD1 ILE 23 1HD1 ILE 23 -9.782 -0.772 3.046 181 2HD1 ILE 23 2HD1 ILE 23 -8.595 -2.094 3.156 182 3HD1 ILE 23 3HD1 ILE 23 -9.305 -1.409 4.638 183 H SER 24 H SER 24 -6.169 1.031 7.775 184 HA SER 24 HA SER 24 -7.538 3.281 8.651 185 1HB SER 24 1HB SER 24 -5.717 1.233 9.880 186 2HB SER 24 2HB SER 24 -5.988 2.702 10.795 187 HG SER 24 HG SER 24 -8.098 1.021 9.736 188 H ALA 25 H ALA 25 -4.089 2.627 7.903 189 HA ALA 25 HA ALA 25 -3.019 4.920 9.084 190 1HB ALA 25 1HB ALA 25 -1.916 3.655 6.572 191 2HB ALA 25 2HB ALA 25 -1.045 4.298 7.985 192 3HB ALA 25 3HB ALA 25 -1.920 2.753 8.107 193 H MET 26 H MET 26 -3.609 4.301 5.545 194 HA MET 26 HA MET 26 -3.126 6.821 4.712 195 1HB MET 26 1HB MET 26 -5.137 4.729 3.726 196 2HB MET 26 2HB MET 26 -4.786 6.181 2.810 197 1HG MET 26 1HG MET 26 -2.411 5.559 2.622 198 2HG MET 26 2HG MET 26 -2.641 4.190 3.692 199 1HE MET 26 1HE MET 26 -1.667 2.493 2.046 200 2HE MET 26 2HE MET 26 -2.147 2.335 0.339 201 3HE MET 26 3HE MET 26 -1.306 3.802 0.895 202 H GLU 27 H GLU 27 -6.140 5.498 6.140 203 HA GLU 27 HA GLU 27 -7.872 7.476 5.463 204 1HB GLU 27 1HB GLU 27 -7.640 5.489 7.667 205 2HB GLU 27 2HB GLU 27 -8.683 6.851 8.023 206 1HG GLU 27 1HG GLU 27 -9.877 6.439 5.816 207 2HG GLU 27 2HG GLU 27 -8.902 4.998 5.605 208 H GLU 28 H GLU 28 -5.495 7.376 8.180 209 HA GLU 28 HA GLU 28 -6.409 9.894 9.152 210 1HB GLU 28 1HB GLU 28 -5.588 8.188 10.717 211 2HB GLU 28 2HB GLU 28 -4.031 8.145 9.916 212 1HG GLU 28 1HG GLU 28 -3.491 10.395 10.619 213 2HG GLU 28 2HG GLU 28 -5.140 10.715 11.117 214 H LYS 29 H LYS 29 -3.469 8.606 7.471 215 HA LYS 29 HA LYS 29 -1.969 10.900 7.471 216 1HB LYS 29 1HB LYS 29 -1.067 8.770 6.795 217 2HB LYS 29 2HB LYS 29 -2.165 8.668 5.433 218 1HG LYS 29 1HG LYS 29 -0.494 9.625 4.215 219 2HG LYS 29 2HG LYS 29 -0.955 11.129 4.989 220 1HD LYS 29 1HD LYS 29 0.705 10.781 6.775 221 2HD LYS 29 2HD LYS 29 1.093 9.188 6.158 222 1HE LYS 29 1HE LYS 29 1.836 10.268 3.983 223 2HE LYS 29 2HE LYS 29 1.559 11.838 4.710 224 1HZ LYS 29 1HZ LYS 29 3.096 11.004 6.519 225 2HZ LYS 29 2HZ LYS 29 3.535 9.827 5.475 226 3HZ LYS 29 3HZ LYS 29 3.775 11.395 5.086 227 H PHE 30 H PHE 30 -4.022 9.772 4.687 228 HA PHE 30 HA PHE 30 -3.882 12.349 3.500 229 1HB PHE 30 1HB PHE 30 -5.529 9.790 3.072 230 2HB PHE 30 2HB PHE 30 -5.663 11.165 1.994 231 HD1 PHE 30 1HD PHE 30 -3.610 11.903 0.714 232 HD2 PHE 30 2HD PHE 30 -3.775 8.231 2.834 233 HE1 PHE 30 1HE PHE 30 -1.667 11.044 -0.623 234 HE2 PHE 30 2HE PHE 30 -1.833 7.372 1.497 235 HZ PHE 30 HZ PHE 30 -0.802 8.788 -0.215 236 H GLY 31 H GLY 31 -5.631 11.196 6.145 237 1HA GLY 31 1HA GLY 31 -7.539 11.825 7.175 238 2HA GLY 31 2HA GLY 31 -7.088 13.428 6.628 239 H VAL 32 H VAL 32 -8.240 10.469 4.851 240 HA VAL 32 HA VAL 32 -10.539 12.072 3.972 241 HB VAL 32 HB VAL 32 -8.807 10.194 2.356 242 1HG1 VAL 32 1HG1 VAL 32 -11.540 11.336 1.836 243 2HG1 VAL 32 2HG1 VAL 32 -10.417 11.071 0.480 244 3HG1 VAL 32 3HG1 VAL 32 -10.908 9.704 1.510 245 1HG2 VAL 32 1HG2 VAL 32 -8.902 13.096 2.702 246 2HG2 VAL 32 2HG2 VAL 32 -7.660 12.073 1.941 247 3HG2 VAL 32 3HG2 VAL 32 -9.074 12.605 1.000 248 H SER 33 H SER 33 -11.322 10.958 6.066 249 HA SER 33 HA SER 33 -11.939 8.176 5.578 250 1HB SER 33 1HB SER 33 -11.058 8.828 7.805 251 2HB SER 33 2HB SER 33 -12.395 9.939 8.027 252 HG SER 33 HG SER 33 -13.064 7.243 7.412 253 H ALA 34 H ALA 34 -13.626 8.140 4.058 254 HA ALA 34 HA ALA 34 -16.208 8.776 4.957 255 1HB ALA 34 1HB ALA 34 -16.470 10.502 2.926 256 2HB ALA 34 2HB ALA 34 -16.005 11.038 4.558 257 3HB ALA 34 3HB ALA 34 -14.760 10.817 3.306 258 H ALA 35 H ALA 35 -16.614 6.635 4.312 259 HA ALA 35 HA ALA 35 -17.164 6.312 1.535 260 1HB ALA 35 1HB ALA 35 -15.638 4.448 1.125 261 2HB ALA 35 2HB ALA 35 -14.704 5.892 1.586 262 3HB ALA 35 3HB ALA 35 -14.976 4.592 2.771 263 H ALA 36 H ALA 36 -19.278 5.824 2.126 264 HA ALA 36 HA ALA 36 -19.813 3.194 2.873 265 1HB ALA 36 1HB ALA 36 -19.734 5.227 5.086 266 2HB ALA 36 2HB ALA 36 -21.006 3.982 5.113 267 3HB ALA 36 3HB ALA 36 -19.292 3.503 5.109 268 H ALA 37 H ALA 37 -22.331 3.069 3.508 269 HA ALA 37 HA ALA 37 -24.404 3.418 2.820 270 1HB ALA 37 1HB ALA 37 -25.265 5.640 2.931 271 2HB ALA 37 2HB ALA 37 -23.926 5.583 4.102 272 3HB ALA 37 3HB ALA 37 -23.689 6.353 2.515 273 1H SER 1 H SER 1 10.987 -3.935 0.944 274 HA SER 1 HA SER 1 10.762 -3.200 3.722 275 1HB SER 1 1HB SER 1 11.244 -1.189 1.482 276 2HB SER 1 2HB SER 1 10.649 -0.741 3.069 277 HG SER 1 HG SER 1 13.231 -1.297 2.264 278 H ILE 2 H ILE 2 8.823 -4.623 3.270 279 HA ILE 2 HA ILE 2 6.817 -3.281 1.613 280 HB ILE 2 HB ILE 2 6.725 -6.083 2.716 281 1HG1 ILE 2 1HG1 ILE 2 7.849 -5.166 0.053 282 2HG1 ILE 2 2HG1 ILE 2 8.773 -5.830 1.386 283 1HG2 ILE 2 1HG2 ILE 2 4.580 -5.172 2.012 284 2HG2 ILE 2 2HG2 ILE 2 5.266 -4.729 0.430 285 3HG2 ILE 2 3HG2 ILE 2 5.123 -6.443 0.890 286 1HD1 ILE 2 1HD1 ILE 2 8.436 -7.735 0.066 287 2HD1 ILE 2 2HD1 ILE 2 7.068 -7.857 1.199 288 3HD1 ILE 2 3HD1 ILE 2 6.810 -7.219 -0.443 289 H THR 3 H THR 3 7.030 -1.714 3.656 290 HA THR 3 HA THR 3 5.299 -2.697 5.802 291 HB THR 3 HB THR 3 6.122 -0.627 6.951 292 HG1 THR 3 1HG THR 3 7.252 0.844 5.671 293 1HG2 THR 3 1HG2 THR 3 8.471 -1.983 5.538 294 2HG2 THR 3 2HG2 THR 3 8.482 -1.188 7.130 295 3HG2 THR 3 3HG2 THR 3 7.615 -2.726 6.910 296 H LYS 4 H LYS 4 3.529 -1.305 6.593 297 HA LYS 4 HA LYS 4 1.783 -0.754 4.488 298 1HB LYS 4 1HB LYS 4 1.775 -0.444 7.453 299 2HB LYS 4 2HB LYS 4 0.599 0.492 6.553 300 1HG LYS 4 1HG LYS 4 -0.601 -1.483 6.820 301 2HG LYS 4 2HG LYS 4 0.174 -1.818 5.285 302 1HD LYS 4 1HD LYS 4 0.850 -3.744 6.337 303 2HD LYS 4 2HD LYS 4 2.128 -2.722 6.962 304 1HE LYS 4 1HE LYS 4 0.656 -2.209 8.972 305 2HE LYS 4 2HE LYS 4 -0.510 -3.367 8.362 306 1HZ LYS 4 1HZ LYS 4 2.287 -3.989 9.015 307 2HZ LYS 4 2HZ LYS 4 0.997 -4.350 9.948 308 3HZ LYS 4 3HZ LYS 4 1.174 -5.062 8.489 309 H ASP 5 H ASP 5 3.895 1.353 6.508 310 HA ASP 5 HA ASP 5 2.851 3.750 5.729 311 1HB ASP 5 1HB ASP 5 5.600 2.823 6.592 312 2HB ASP 5 2HB ASP 5 5.404 4.480 6.057 313 H GLN 6 H GLN 6 5.452 1.692 4.262 314 HA GLN 6 HA GLN 6 6.376 3.449 2.405 315 1HB GLN 6 1HB GLN 6 6.395 0.527 2.805 316 2HB GLN 6 2HB GLN 6 6.494 0.969 1.112 317 1HG GLN 6 1HG GLN 6 8.753 0.814 2.143 318 2HG GLN 6 2HG GLN 6 8.429 2.433 1.557 319 1HE2 GLN 6 1HE2 GLN 6 9.256 0.493 4.208 320 2HE2 GLN 6 2HE2 GLN 6 9.405 1.752 5.388 321 H ILE 7 H ILE 7 3.330 1.662 2.490 322 HA ILE 7 HA ILE 7 2.813 1.981 -0.309 323 HB ILE 7 HB ILE 7 0.924 1.217 1.917 324 1HG1 ILE 7 1HG1 ILE 7 2.675 -0.329 2.136 325 2HG1 ILE 7 2HG1 ILE 7 1.475 -1.147 1.155 326 1HG2 ILE 7 1HG2 ILE 7 0.720 0.272 -0.918 327 2HG2 ILE 7 2HG2 ILE 7 -0.546 0.474 0.316 328 3HG2 ILE 7 3HG2 ILE 7 0.144 1.901 -0.494 329 1HD1 ILE 7 1HD1 ILE 7 2.791 -0.238 -0.902 330 2HD1 ILE 7 2HD1 ILE 7 4.093 0.106 0.261 331 3HD1 ILE 7 3HD1 ILE 7 3.526 -1.565 0.029 332 H ILE 8 H ILE 8 2.089 3.693 2.744 333 HA ILE 8 HA ILE 8 0.080 5.351 1.795 334 HB ILE 8 HB ILE 8 2.187 5.827 3.904 335 1HG1 ILE 8 1HG1 ILE 8 -0.638 4.742 4.102 336 2HG1 ILE 8 2HG1 ILE 8 0.837 3.813 4.285 337 1HG2 ILE 8 1HG2 ILE 8 1.247 7.949 3.231 338 2HG2 ILE 8 2HG2 ILE 8 -0.405 7.299 3.363 339 3HG2 ILE 8 3HG2 ILE 8 0.597 7.485 4.822 340 1HD1 ILE 8 1HD1 ILE 8 1.350 5.780 6.095 341 2HD1 ILE 8 2HD1 ILE 8 -0.428 5.764 6.167 342 3HD1 ILE 8 3HD1 ILE 8 0.490 4.279 6.515 343 H GLU 9 H GLU 9 3.666 5.621 1.622 344 HA GLU 9 HA GLU 9 3.572 8.200 0.504 345 1HB GLU 9 1HB GLU 9 5.781 6.096 0.510 346 2HB GLU 9 2HB GLU 9 6.002 7.758 -0.001 347 1HG GLU 9 1HG GLU 9 5.084 6.871 2.776 348 2HG GLU 9 2HG GLU 9 6.698 7.419 2.371 349 H ALA 10 H ALA 10 3.085 4.974 -0.735 350 HA ALA 10 HA ALA 10 3.871 5.558 -3.420 351 1HB ALA 10 1HB ALA 10 3.856 3.284 -2.276 352 2HB ALA 10 2HB ALA 10 2.081 3.321 -2.405 353 3HB ALA 10 3HB ALA 10 3.081 3.339 -3.878 354 H VAL 11 H VAL 11 0.831 5.543 -1.495 355 HA VAL 11 HA VAL 11 -0.843 6.005 -3.730 356 HB VAL 11 HB VAL 11 -1.135 6.264 -0.744 357 1HG1 VAL 11 1HG1 VAL 11 -3.268 6.797 -2.841 358 2HG1 VAL 11 2HG1 VAL 11 -3.547 6.660 -1.088 359 3HG1 VAL 11 3HG1 VAL 11 -2.556 7.992 -1.730 360 1HG2 VAL 11 1HG2 VAL 11 -2.729 4.368 -1.098 361 2HG2 VAL 11 2HG2 VAL 11 -2.251 4.344 -2.813 362 3HG2 VAL 11 3HG2 VAL 11 -1.049 3.993 -1.549 363 H ALA 12 H ALA 12 1.309 7.985 -1.806 364 HA ALA 12 HA ALA 12 -0.031 10.432 -2.614 365 1HB ALA 12 1HB ALA 12 0.845 10.206 -0.320 366 2HB ALA 12 2HB ALA 12 2.478 9.916 -0.966 367 3HB ALA 12 3HB ALA 12 1.696 11.497 -1.201 368 H ALA 13 H ALA 13 1.557 8.271 -4.344 369 HA ALA 13 HA ALA 13 3.471 10.148 -5.526 370 1HB ALA 13 1HB ALA 13 3.172 7.180 -6.088 371 2HB ALA 13 2HB ALA 13 4.572 8.229 -6.417 372 3HB ALA 13 3HB ALA 13 4.151 7.806 -4.740 373 H MET 14 H MET 14 0.385 8.516 -5.957 374 HA MET 14 HA MET 14 0.431 9.113 -8.789 375 1HB MET 14 1HB MET 14 -1.600 7.652 -7.010 376 2HB MET 14 2HB MET 14 -1.756 7.809 -8.748 377 1HG MET 14 1HG MET 14 -0.464 5.963 -9.017 378 2HG MET 14 2HG MET 14 0.884 6.809 -8.285 379 1HE MET 14 1HE MET 14 -0.988 3.417 -7.703 380 2HE MET 14 2HE MET 14 -2.106 3.960 -6.429 381 3HE MET 14 3HE MET 14 -2.117 4.755 -8.022 382 H SER 15 H SER 15 -1.864 9.921 -9.653 383 HA SER 15 HA SER 15 -2.149 12.472 -8.500 384 1HB SER 15 1HB SER 15 -4.236 12.311 -10.262 385 2HB SER 15 2HB SER 15 -2.592 12.703 -10.726 386 HG SER 15 HG SER 15 -3.214 11.024 -12.076 387 H VAL 16 H VAL 16 -4.357 13.409 -7.878 388 HA VAL 16 HA VAL 16 -5.408 11.963 -5.754 389 HB VAL 16 HB VAL 16 -6.425 14.329 -7.330 390 1HG1 VAL 16 1HG1 VAL 16 -8.372 13.377 -6.317 391 2HG1 VAL 16 2HG1 VAL 16 -7.515 13.099 -4.782 392 3HG1 VAL 16 3HG1 VAL 16 -7.878 14.759 -5.311 393 1HG2 VAL 16 1HG2 VAL 16 -5.563 15.654 -5.503 394 2HG2 VAL 16 2HG2 VAL 16 -5.132 14.190 -4.588 395 3HG2 VAL 16 3HG2 VAL 16 -4.271 14.583 -6.095 396 H MET 17 H MET 17 -6.602 12.438 -9.135 397 HA MET 17 HA MET 17 -8.986 11.095 -8.776 398 1HB MET 17 1HB MET 17 -7.185 11.853 -11.072 399 2HB MET 17 2HB MET 17 -8.387 10.625 -11.419 400 1HG MET 17 1HG MET 17 -9.100 13.278 -10.089 401 2HG MET 17 2HG MET 17 -9.106 13.067 -11.829 402 1HE MET 17 1HE MET 17 -11.712 13.785 -9.785 403 2HE MET 17 2HE MET 17 -11.551 13.949 -11.550 404 3HE MET 17 3HE MET 17 -12.899 13.011 -10.863 405 H ASP 18 H ASP 18 -5.725 9.911 -9.798 406 HA ASP 18 HA ASP 18 -6.506 7.365 -10.463 407 1HB ASP 18 1HB ASP 18 -4.248 8.464 -10.862 408 2HB ASP 18 2HB ASP 18 -3.871 8.213 -9.169 409 H VAL 19 H VAL 19 -5.916 8.973 -7.344 410 HA VAL 19 HA VAL 19 -5.647 6.529 -5.868 411 HB VAL 19 HB VAL 19 -5.846 9.454 -5.181 412 1HG1 VAL 19 1HG1 VAL 19 -5.352 8.738 -2.805 413 2HG1 VAL 19 2HG1 VAL 19 -7.006 8.409 -3.375 414 3HG1 VAL 19 3HG1 VAL 19 -5.816 7.088 -3.286 415 1HG2 VAL 19 1HG2 VAL 19 -3.707 8.694 -6.073 416 2HG2 VAL 19 2HG2 VAL 19 -3.548 9.089 -4.344 417 3HG2 VAL 19 3HG2 VAL 19 -3.641 7.389 -4.864 418 H VAL 20 H VAL 20 -8.202 8.948 -6.603 419 HA VAL 20 HA VAL 20 -10.116 7.983 -4.829 420 HB VAL 20 HB VAL 20 -10.250 9.417 -7.478 421 1HG1 VAL 20 1HG1 VAL 20 -12.331 8.221 -7.332 422 2HG1 VAL 20 2HG1 VAL 20 -12.536 8.677 -5.624 423 3HG1 VAL 20 3HG1 VAL 20 -12.640 9.919 -6.895 424 1HG2 VAL 20 1HG2 VAL 20 -11.288 10.950 -5.335 425 2HG2 VAL 20 2HG2 VAL 20 -9.785 10.200 -4.745 426 3HG2 VAL 20 3HG2 VAL 20 -9.764 11.193 -6.222 427 H GLU 21 H GLU 21 -9.457 7.141 -8.297 428 HA GLU 21 HA GLU 21 -11.469 5.280 -8.511 429 1HB GLU 21 1HB GLU 21 -8.794 5.607 -9.910 430 2HB GLU 21 2HB GLU 21 -9.877 4.296 -10.335 431 1HG GLU 21 1HG GLU 21 -11.661 5.866 -10.925 432 2HG GLU 21 2HG GLU 21 -10.746 7.222 -10.296 433 H LEU 22 H LEU 22 -8.030 4.919 -7.452 434 HA LEU 22 HA LEU 22 -7.995 2.164 -7.245 435 1HB LEU 22 1HB LEU 22 -6.026 3.585 -7.160 436 2HB LEU 22 2HB LEU 22 -6.543 4.263 -5.629 437 HG LEU 22 HG LEU 22 -4.714 2.475 -5.598 438 1HD1 LEU 22 1HD1 LEU 22 -7.062 1.821 -3.819 439 2HD1 LEU 22 2HD1 LEU 22 -5.322 1.753 -3.450 440 3HD1 LEU 22 3HD1 LEU 22 -6.128 3.327 -3.648 441 1HD2 LEU 22 1HD2 LEU 22 -7.071 0.600 -5.925 442 2HD2 LEU 22 2HD2 LEU 22 -5.856 0.936 -7.182 443 3HD2 LEU 22 3HD2 LEU 22 -5.367 0.160 -5.656 444 H ILE 23 H ILE 23 -8.410 4.487 -4.475 445 HA ILE 23 HA ILE 23 -9.109 2.676 -2.591 446 HB ILE 23 HB ILE 23 -9.986 5.519 -3.041 447 1HG1 ILE 23 1HG1 ILE 23 -7.601 5.145 -2.620 448 2HG1 ILE 23 2HG1 ILE 23 -8.362 6.020 -1.306 449 1HG2 ILE 23 1HG2 ILE 23 -11.746 4.820 -1.712 450 2HG2 ILE 23 2HG2 ILE 23 -10.756 3.625 -0.839 451 3HG2 ILE 23 3HG2 ILE 23 -10.552 5.362 -0.508 452 1HD1 ILE 23 1HD1 ILE 23 -7.455 3.129 -1.371 453 2HD1 ILE 23 2HD1 ILE 23 -7.067 4.395 -0.182 454 3HD1 ILE 23 3HD1 ILE 23 -8.689 3.661 -0.203 455 H SER 24 H SER 24 -11.314 4.289 -4.968 456 HA SER 24 HA SER 24 -13.638 3.243 -3.979 457 1HB SER 24 1HB SER 24 -12.730 4.271 -6.654 458 2HB SER 24 2HB SER 24 -14.264 3.425 -6.599 459 HG SER 24 HG SER 24 -14.925 4.921 -4.876 460 H ALA 25 H ALA 25 -11.207 1.855 -6.231 461 HA ALA 25 HA ALA 25 -12.729 -0.322 -7.099 462 1HB ALA 25 1HB ALA 25 -9.725 -0.359 -6.732 463 2HB ALA 25 2HB ALA 25 -10.704 -1.087 -8.028 464 3HB ALA 25 3HB ALA 25 -10.489 0.679 -7.961 465 H MET 26 H MET 26 -10.040 -0.283 -4.644 466 HA MET 26 HA MET 26 -10.406 -2.808 -3.750 467 1HB MET 26 1HB MET 26 -9.556 -0.249 -2.298 468 2HB MET 26 2HB MET 26 -9.428 -1.824 -1.540 469 1HG MET 26 1HG MET 26 -7.892 -2.616 -3.275 470 2HG MET 26 2HG MET 26 -8.155 -1.177 -4.240 471 1HE MET 26 1HE MET 26 -6.033 -1.292 -0.154 472 2HE MET 26 2HE MET 26 -7.806 -1.160 -0.236 473 3HE MET 26 3HE MET 26 -6.989 -2.599 -0.893 474 H GLU 27 H GLU 27 -12.138 0.186 -2.750 475 HA GLU 27 HA GLU 27 -13.349 -0.704 -0.507 476 1HB GLU 27 1HB GLU 27 -14.079 1.263 -2.653 477 2HB GLU 27 2HB GLU 27 -15.338 0.832 -1.513 478 1HG GLU 27 1HG GLU 27 -12.573 1.611 -0.525 479 2HG GLU 27 2HG GLU 27 -13.742 2.845 -0.948 480 H GLU 28 H GLU 28 -14.350 -1.231 -3.936 481 HA GLU 28 HA GLU 28 -16.686 -2.632 -3.116 482 1HB GLU 28 1HB GLU 28 -16.371 -1.238 -5.265 483 2HB GLU 28 2HB GLU 28 -15.457 -2.592 -5.899 484 1HG GLU 28 1HG GLU 28 -17.637 -3.958 -5.042 485 2HG GLU 28 2HG GLU 28 -18.397 -2.399 -5.291 486 H LYS 29 H LYS 29 -13.450 -3.452 -4.501 487 HA LYS 29 HA LYS 29 -13.899 -6.134 -4.954 488 1HB LYS 29 1HB LYS 29 -11.965 -4.989 -5.823 489 2HB LYS 29 2HB LYS 29 -11.374 -4.634 -4.213 490 1HG LYS 29 1HG LYS 29 -10.106 -6.530 -4.782 491 2HG LYS 29 2HG LYS 29 -11.415 -7.239 -3.858 492 1HD LYS 29 1HD LYS 29 -12.645 -7.726 -5.993 493 2HD LYS 29 2HD LYS 29 -11.314 -7.042 -6.906 494 1HE LYS 29 1HE LYS 29 -10.933 -9.409 -6.914 495 2HE LYS 29 2HE LYS 29 -9.783 -8.763 -5.760 496 1HZ LYS 29 1HZ LYS 29 -11.148 -9.435 -3.992 497 2HZ LYS 29 2HZ LYS 29 -12.418 -9.774 -4.960 498 3HZ LYS 29 3HZ LYS 29 -11.084 -10.715 -5.004 499 H PHE 30 H PHE 30 -12.222 -4.701 -2.058 500 HA PHE 30 HA PHE 30 -12.441 -7.159 -0.657 501 1HB PHE 30 1HB PHE 30 -11.743 -4.248 0.035 502 2HB PHE 30 2HB PHE 30 -11.649 -5.521 1.236 503 HD1 PHE 30 1HD PHE 30 -10.149 -4.162 -1.814 504 HD2 PHE 30 2HD PHE 30 -9.892 -7.187 1.151 505 HE1 PHE 30 1HE PHE 30 -7.817 -4.704 -2.569 506 HE2 PHE 30 2HE PHE 30 -7.560 -7.729 0.396 507 HZ PHE 30 HZ PHE 30 -6.550 -6.481 -1.454 508 H GLY 31 H GLY 31 -14.730 -4.776 -1.397 509 1HA GLY 31 1HA GLY 31 -16.712 -4.165 -0.511 510 2HA GLY 31 2HA GLY 31 -16.811 -5.842 -0.012 511 H VAL 32 H VAL 32 -14.820 -2.977 1.039 512 HA VAL 32 HA VAL 32 -15.804 -3.502 3.760 513 HB VAL 32 HB VAL 32 -13.112 -2.471 2.844 514 1HG1 VAL 32 1HG1 VAL 32 -14.425 -2.601 5.541 515 2HG1 VAL 32 2HG1 VAL 32 -12.668 -2.857 5.412 516 3HG1 VAL 32 3HG1 VAL 32 -13.391 -1.335 4.836 517 1HG2 VAL 32 1HG2 VAL 32 -14.008 -5.106 4.040 518 2HG2 VAL 32 2HG2 VAL 32 -13.172 -4.822 2.494 519 3HG2 VAL 32 3HG2 VAL 32 -12.310 -4.571 4.032 520 H SER 33 H SER 33 -17.617 -2.091 2.703 521 HA SER 33 HA SER 33 -16.837 0.675 2.551 522 1HB SER 33 1HB SER 33 -19.547 -0.672 2.159 523 2HB SER 33 2HB SER 33 -19.228 1.029 1.880 524 HG SER 33 HG SER 33 -17.482 -0.767 0.562 525 H ALA 34 H ALA 34 -16.270 1.077 4.787 526 HA ALA 34 HA ALA 34 -18.493 1.805 6.398 527 1HB ALA 34 1HB ALA 34 -18.409 -0.670 6.788 528 2HB ALA 34 2HB ALA 34 -16.746 -0.480 7.394 529 3HB ALA 34 3HB ALA 34 -18.101 0.286 8.258 530 H ALA 35 H ALA 35 -17.466 3.855 6.263 531 HA ALA 35 HA ALA 35 -15.367 4.195 8.185 532 1HB ALA 35 1HB ALA 35 -13.810 5.284 6.578 533 2HB ALA 35 2HB ALA 35 -14.034 3.552 6.231 534 3HB ALA 35 3HB ALA 35 -14.864 4.773 5.237 535 H ALA 36 H ALA 36 -16.562 5.665 9.346 536 HA ALA 36 HA ALA 36 -17.564 7.569 9.856 537 1HB ALA 36 1HB ALA 36 -16.700 8.724 7.192 538 2HB ALA 36 2HB ALA 36 -16.894 9.552 8.755 539 3HB ALA 36 3HB ALA 36 -15.532 8.433 8.503 540 H ALA 37 H ALA 37 -19.697 8.220 9.802 541 HA ALA 37 HA ALA 37 -21.229 7.221 7.520 542 1HB ALA 37 1HB ALA 37 -21.696 6.514 9.939 543 2HB ALA 37 2HB ALA 37 -22.271 8.177 10.207 544 3HB ALA 37 3HB ALA 37 -23.085 7.135 9.016 Start of MODEL 9 1 1H SER 1 H SER 1 6.077 -2.692 -14.648 2 HA SER 1 HA SER 1 3.882 -2.455 -14.663 3 1HB SER 1 1HB SER 1 4.326 -4.915 -14.898 4 2HB SER 1 2HB SER 1 4.081 -5.110 -13.174 5 HG SER 1 HG SER 1 1.951 -3.744 -14.215 6 H ILE 2 H ILE 2 4.021 -0.586 -13.056 7 HA ILE 2 HA ILE 2 2.899 -1.340 -10.456 8 HB ILE 2 HB ILE 2 4.124 1.300 -11.239 9 1HG1 ILE 2 1HG1 ILE 2 5.478 -1.136 -10.047 10 2HG1 ILE 2 2HG1 ILE 2 5.809 -0.408 -11.606 11 1HG2 ILE 2 1HG2 ILE 2 3.844 0.089 -8.487 12 2HG2 ILE 2 2HG2 ILE 2 4.201 1.775 -8.935 13 3HG2 ILE 2 3HG2 ILE 2 2.579 1.101 -9.225 14 1HD1 ILE 2 1HD1 ILE 2 7.506 0.411 -10.114 15 2HD1 ILE 2 2HD1 ILE 2 6.373 1.763 -10.350 16 3HD1 ILE 2 3HD1 ILE 2 6.309 0.798 -8.855 17 H THR 3 H THR 3 0.942 -1.750 -12.072 18 HA THR 3 HA THR 3 -0.432 0.749 -12.680 19 HB THR 3 HB THR 3 -2.030 -0.891 -13.803 20 HG1 THR 3 1HG THR 3 -0.137 -2.945 -13.638 21 1HG2 THR 3 1HG2 THR 3 -0.414 -1.745 -15.521 22 2HG2 THR 3 2HG2 THR 3 -0.122 -0.027 -15.157 23 3HG2 THR 3 3HG2 THR 3 0.938 -1.277 -14.462 24 H LYS 4 H LYS 4 -2.748 0.996 -12.082 25 HA LYS 4 HA LYS 4 -2.971 0.890 -9.308 26 1HB LYS 4 1HB LYS 4 -4.687 1.669 -11.602 27 2HB LYS 4 2HB LYS 4 -5.531 1.271 -10.120 28 1HG LYS 4 1HG LYS 4 -5.022 3.651 -10.077 29 2HG LYS 4 2HG LYS 4 -4.026 2.864 -8.868 30 1HD LYS 4 1HD LYS 4 -2.596 4.396 -10.080 31 2HD LYS 4 2HD LYS 4 -2.136 2.774 -10.559 32 1HE LYS 4 1HE LYS 4 -3.244 2.956 -12.679 33 2HE LYS 4 2HE LYS 4 -4.188 4.341 -12.166 34 1HZ LYS 4 1HZ LYS 4 -2.329 4.954 -13.565 35 2HZ LYS 4 2HZ LYS 4 -2.183 5.631 -12.086 36 3HZ LYS 4 3HZ LYS 4 -1.266 4.340 -12.487 37 H ASP 5 H ASP 5 -4.166 -1.280 -11.913 38 HA ASP 5 HA ASP 5 -5.877 -2.745 -10.331 39 1HB ASP 5 1HB ASP 5 -4.295 -3.334 -12.851 40 2HB ASP 5 2HB ASP 5 -5.234 -4.612 -12.105 41 H GLN 6 H GLN 6 -2.376 -3.163 -11.192 42 HA GLN 6 HA GLN 6 -1.988 -5.611 -10.042 43 1HB GLN 6 1HB GLN 6 -0.312 -3.337 -10.911 44 2HB GLN 6 2HB GLN 6 0.426 -4.275 -9.628 45 1HG GLN 6 1HG GLN 6 1.104 -5.271 -11.731 46 2HG GLN 6 2HG GLN 6 -0.020 -6.378 -10.969 47 1HE2 GLN 6 1HE2 GLN 6 0.817 -5.500 -13.827 48 2HE2 GLN 6 2HE2 GLN 6 -0.670 -5.281 -14.687 49 H ILE 7 H ILE 7 -2.416 -2.438 -8.557 50 HA ILE 7 HA ILE 7 -1.193 -3.171 -6.077 51 HB ILE 7 HB ILE 7 -2.836 -0.821 -7.000 52 1HG1 ILE 7 1HG1 ILE 7 0.062 -0.894 -6.146 53 2HG1 ILE 7 2HG1 ILE 7 -0.431 -1.208 -7.798 54 1HG2 ILE 7 1HG2 ILE 7 -3.382 -1.045 -4.695 55 2HG2 ILE 7 2HG2 ILE 7 -1.691 -1.385 -4.258 56 3HG2 ILE 7 3HG2 ILE 7 -2.154 0.237 -4.823 57 1HD1 ILE 7 1HD1 ILE 7 -0.506 1.022 -8.162 58 2HD1 ILE 7 2HD1 ILE 7 -1.842 1.139 -6.992 59 3HD1 ILE 7 3HD1 ILE 7 -0.160 1.339 -6.445 60 H ILE 8 H ILE 8 -4.439 -3.245 -7.544 61 HA ILE 8 HA ILE 8 -5.922 -3.542 -5.216 62 HB ILE 8 HB ILE 8 -6.394 -4.632 -7.993 63 1HG1 ILE 8 1HG1 ILE 8 -6.059 -2.183 -7.886 64 2HG1 ILE 8 2HG1 ILE 8 -7.675 -2.635 -8.391 65 1HG2 ILE 8 1HG2 ILE 8 -8.192 -4.438 -5.576 66 2HG2 ILE 8 2HG2 ILE 8 -8.829 -4.511 -7.237 67 3HG2 ILE 8 3HG2 ILE 8 -7.844 -5.851 -6.602 68 1HD1 ILE 8 1HD1 ILE 8 -8.526 -2.258 -6.087 69 2HD1 ILE 8 2HD1 ILE 8 -6.884 -1.825 -5.555 70 3HD1 ILE 8 3HD1 ILE 8 -7.740 -0.796 -6.728 71 H GLU 9 H GLU 9 -4.345 -6.018 -7.341 72 HA GLU 9 HA GLU 9 -5.244 -8.155 -5.785 73 1HB GLU 9 1HB GLU 9 -2.915 -7.940 -7.741 74 2HB GLU 9 2HB GLU 9 -3.489 -9.452 -7.068 75 1HG GLU 9 1HG GLU 9 -5.840 -8.738 -7.975 76 2HG GLU 9 2HG GLU 9 -4.967 -7.550 -8.923 77 H ALA 10 H ALA 10 -2.878 -5.740 -5.206 78 HA ALA 10 HA ALA 10 -1.032 -7.369 -3.756 79 1HB ALA 10 1HB ALA 10 -0.659 -5.106 -4.982 80 2HB ALA 10 2HB ALA 10 -1.348 -4.368 -3.517 81 3HB ALA 10 3HB ALA 10 0.132 -5.350 -3.407 82 H VAL 11 H VAL 11 -3.827 -5.222 -2.998 83 HA VAL 11 HA VAL 11 -3.511 -5.447 -0.197 84 HB VAL 11 HB VAL 11 -5.733 -4.585 -2.037 85 1HG1 VAL 11 1HG1 VAL 11 -6.797 -5.567 -0.064 86 2HG1 VAL 11 2HG1 VAL 11 -5.773 -4.574 1.000 87 3HG1 VAL 11 3HG1 VAL 11 -6.973 -3.796 -0.059 88 1HG2 VAL 11 1HG2 VAL 11 -5.231 -2.372 -0.843 89 2HG2 VAL 11 2HG2 VAL 11 -3.762 -3.171 -0.232 90 3HG2 VAL 11 3HG2 VAL 11 -4.006 -2.978 -1.984 91 H ALA 12 H ALA 12 -4.980 -7.436 -2.731 92 HA ALA 12 HA ALA 12 -6.489 -8.996 -0.834 93 1HB ALA 12 1HB ALA 12 -6.019 -9.983 -3.601 94 2HB ALA 12 2HB ALA 12 -7.536 -9.821 -2.685 95 3HB ALA 12 3HB ALA 12 -6.813 -8.396 -3.470 96 H ALA 13 H ALA 13 -3.251 -8.664 -1.408 97 HA ALA 13 HA ALA 13 -2.695 -11.533 -1.317 98 1HB ALA 13 1HB ALA 13 -1.548 -10.025 -2.986 99 2HB ALA 13 2HB ALA 13 -0.777 -9.190 -1.616 100 3HB ALA 13 3HB ALA 13 -0.437 -10.911 -1.915 101 H MET 14 H MET 14 -2.851 -8.603 0.615 102 HA MET 14 HA MET 14 -1.171 -9.774 2.649 103 1HB MET 14 1HB MET 14 -2.660 -7.092 2.511 104 2HB MET 14 2HB MET 14 -1.509 -7.529 3.758 105 1HG MET 14 1HG MET 14 0.296 -7.097 2.414 106 2HG MET 14 2HG MET 14 -0.418 -7.907 1.034 107 1HE MET 14 1HE MET 14 1.188 -4.747 1.084 108 2HE MET 14 2HE MET 14 0.029 -3.566 1.740 109 3HE MET 14 3HE MET 14 0.568 -4.934 2.742 110 H SER 15 H SER 15 -2.037 -9.451 5.031 111 HA SER 15 HA SER 15 -4.455 -10.943 5.112 112 1HB SER 15 1HB SER 15 -3.906 -10.405 7.735 113 2HB SER 15 2HB SER 15 -3.178 -11.722 6.836 114 HG SER 15 HG SER 15 -1.923 -9.662 8.000 115 H VAL 16 H VAL 16 -6.309 -10.296 6.599 116 HA VAL 16 HA VAL 16 -7.338 -7.836 5.861 117 HB VAL 16 HB VAL 16 -8.011 -9.664 8.173 118 1HG1 VAL 16 1HG1 VAL 16 -8.936 -7.472 8.627 119 2HG1 VAL 16 2HG1 VAL 16 -9.594 -7.366 6.976 120 3HG1 VAL 16 3HG1 VAL 16 -10.246 -8.565 8.119 121 1HG2 VAL 16 1HG2 VAL 16 -9.931 -10.255 6.546 122 2HG2 VAL 16 2HG2 VAL 16 -8.909 -9.508 5.294 123 3HG2 VAL 16 3HG2 VAL 16 -8.311 -10.912 6.210 124 H MET 17 H MET 17 -5.492 -8.858 8.777 125 HA MET 17 HA MET 17 -5.885 -6.569 10.246 126 1HB MET 17 1HB MET 17 -3.844 -8.781 10.093 127 2HB MET 17 2HB MET 17 -3.349 -7.352 10.979 128 1HG MET 17 1HG MET 17 -4.367 -8.733 12.634 129 2HG MET 17 2HG MET 17 -5.600 -7.545 12.259 130 1HE MET 17 1HE MET 17 -6.394 -9.862 13.725 131 2HE MET 17 2HE MET 17 -7.795 -9.068 12.967 132 3HE MET 17 3HE MET 17 -7.607 -10.834 12.857 133 H ASP 18 H ASP 18 -3.350 -7.369 7.793 134 HA ASP 18 HA ASP 18 -1.827 -5.109 8.223 135 1HB ASP 18 1HB ASP 18 -1.141 -7.139 6.907 136 2HB ASP 18 2HB ASP 18 -2.251 -6.673 5.633 137 H VAL 19 H VAL 19 -4.840 -5.727 6.449 138 HA VAL 19 HA VAL 19 -4.654 -3.367 4.829 139 HB VAL 19 HB VAL 19 -6.802 -5.420 5.361 140 1HG1 VAL 19 1HG1 VAL 19 -7.992 -4.358 3.402 141 2HG1 VAL 19 2HG1 VAL 19 -8.003 -3.404 4.904 142 3HG1 VAL 19 3HG1 VAL 19 -6.896 -2.968 3.580 143 1HG2 VAL 19 1HG2 VAL 19 -6.355 -5.995 2.962 144 2HG2 VAL 19 2HG2 VAL 19 -4.991 -4.852 2.993 145 3HG2 VAL 19 3HG2 VAL 19 -4.977 -6.283 4.050 146 H VAL 20 H VAL 20 -5.987 -4.333 7.981 147 HA VAL 20 HA VAL 20 -7.664 -2.078 8.283 148 HB VAL 20 HB VAL 20 -6.469 -4.143 10.111 149 1HG1 VAL 20 1HG1 VAL 20 -7.968 -3.156 11.911 150 2HG1 VAL 20 2HG1 VAL 20 -6.494 -2.234 11.528 151 3HG1 VAL 20 3HG1 VAL 20 -8.070 -1.695 10.900 152 1HG2 VAL 20 1HG2 VAL 20 -9.366 -3.498 9.481 153 2HG2 VAL 20 2HG2 VAL 20 -8.393 -4.684 8.578 154 3HG2 VAL 20 3HG2 VAL 20 -8.723 -4.937 10.309 155 H GLU 21 H GLU 21 -4.365 -2.894 9.574 156 HA GLU 21 HA GLU 21 -3.941 -0.489 10.806 157 1HB GLU 21 1HB GLU 21 -2.095 -2.561 9.593 158 2HB GLU 21 2HB GLU 21 -1.427 -1.095 10.283 159 1HG GLU 21 1HG GLU 21 -3.449 -2.648 11.905 160 2HG GLU 21 2HG GLU 21 -1.820 -3.283 11.781 161 H LEU 22 H LEU 22 -3.290 -1.496 7.397 162 HA LEU 22 HA LEU 22 -1.932 0.769 6.588 163 1HB LEU 22 1HB LEU 22 -2.059 -1.288 5.310 164 2HB LEU 22 2HB LEU 22 -3.778 -1.063 5.053 165 HG LEU 22 HG LEU 22 -2.188 -0.491 3.132 166 1HD1 LEU 22 1HD1 LEU 22 -4.642 0.166 3.406 167 2HD1 LEU 22 2HD1 LEU 22 -4.039 1.773 3.877 168 3HD1 LEU 22 3HD1 LEU 22 -3.661 1.118 2.266 169 1HD2 LEU 22 1HD2 LEU 22 -1.142 1.678 3.117 170 2HD2 LEU 22 2HD2 LEU 22 -1.775 2.044 4.740 171 3HD2 LEU 22 3HD2 LEU 22 -0.559 0.762 4.527 172 H ILE 23 H ILE 23 -5.449 0.071 5.968 173 HA ILE 23 HA ILE 23 -6.108 2.545 5.048 174 HB ILE 23 HB ILE 23 -7.663 0.468 6.564 175 1HG1 ILE 23 1HG1 ILE 23 -6.892 -0.131 4.323 176 2HG1 ILE 23 2HG1 ILE 23 -8.638 0.004 4.383 177 1HG2 ILE 23 1HG2 ILE 23 -8.948 2.297 7.141 178 2HG2 ILE 23 2HG2 ILE 23 -8.563 3.181 5.646 179 3HG2 ILE 23 3HG2 ILE 23 -9.686 1.801 5.599 180 1HD1 ILE 23 1HD1 ILE 23 -8.152 1.197 2.427 181 2HD1 ILE 23 2HD1 ILE 23 -8.198 2.510 3.628 182 3HD1 ILE 23 3HD1 ILE 23 -6.634 1.855 3.085 183 H SER 24 H SER 24 -5.885 1.418 8.465 184 HA SER 24 HA SER 24 -6.987 3.674 9.592 185 1HB SER 24 1HB SER 24 -5.141 1.491 10.527 186 2HB SER 24 2HB SER 24 -5.312 2.898 11.556 187 HG SER 24 HG SER 24 -6.890 0.904 11.686 188 H ALA 25 H ALA 25 -3.637 2.907 8.537 189 HA ALA 25 HA ALA 25 -2.398 5.128 9.711 190 1HB ALA 25 1HB ALA 25 -0.525 4.488 8.421 191 2HB ALA 25 2HB ALA 25 -1.408 2.965 8.683 192 3HB ALA 25 3HB ALA 25 -1.538 3.812 7.122 193 H MET 26 H MET 26 -3.274 4.595 6.217 194 HA MET 26 HA MET 26 -2.759 7.093 5.360 195 1HB MET 26 1HB MET 26 -4.966 5.120 4.571 196 2HB MET 26 2HB MET 26 -4.640 6.566 3.636 197 1HG MET 26 1HG MET 26 -2.335 5.831 3.188 198 2HG MET 26 2HG MET 26 -2.513 4.467 4.274 199 1HE MET 26 1HE MET 26 -4.749 5.025 0.290 200 2HE MET 26 2HE MET 26 -5.434 5.710 1.783 201 3HE MET 26 3HE MET 26 -3.848 6.264 1.196 202 H GLU 27 H GLU 27 -5.694 5.912 7.058 203 HA GLU 27 HA GLU 27 -7.386 7.963 6.569 204 1HB GLU 27 1HB GLU 27 -7.004 5.986 8.759 205 2HB GLU 27 2HB GLU 27 -7.940 7.396 9.211 206 1HG GLU 27 1HG GLU 27 -9.351 7.014 7.102 207 2HG GLU 27 2HG GLU 27 -8.507 5.492 6.895 208 H GLU 28 H GLU 28 -4.790 7.769 9.084 209 HA GLU 28 HA GLU 28 -5.458 10.334 10.092 210 1HB GLU 28 1HB GLU 28 -4.413 8.395 11.401 211 2HB GLU 28 2HB GLU 28 -2.905 8.747 10.581 212 1HG GLU 28 1HG GLU 28 -3.110 11.154 11.435 213 2HG GLU 28 2HG GLU 28 -4.474 10.628 12.401 214 H LYS 29 H LYS 29 -2.810 8.934 8.057 215 HA LYS 29 HA LYS 29 -1.241 11.183 7.868 216 1HB LYS 29 1HB LYS 29 -0.482 9.019 7.128 217 2HB LYS 29 2HB LYS 29 -1.729 8.932 5.901 218 1HG LYS 29 1HG LYS 29 0.213 9.622 4.709 219 2HG LYS 29 2HG LYS 29 -0.714 11.096 4.909 220 1HD LYS 29 1HD LYS 29 0.905 10.873 7.250 221 2HD LYS 29 2HD LYS 29 1.951 10.461 5.906 222 1HE LYS 29 1HE LYS 29 1.230 12.573 4.731 223 2HE LYS 29 2HE LYS 29 0.251 12.991 6.123 224 1HZ LYS 29 1HZ LYS 29 2.362 12.781 7.427 225 2HZ LYS 29 2HZ LYS 29 3.166 12.745 6.006 226 3HZ LYS 29 3HZ LYS 29 2.281 14.056 6.410 227 H PHE 30 H PHE 30 -3.647 10.082 5.370 228 HA PHE 30 HA PHE 30 -3.568 12.635 4.124 229 1HB PHE 30 1HB PHE 30 -5.334 10.126 3.943 230 2HB PHE 30 2HB PHE 30 -5.552 11.488 2.863 231 HD1 PHE 30 1HD PHE 30 -3.463 8.625 3.691 232 HD2 PHE 30 2HD PHE 30 -3.852 12.018 1.172 233 HE1 PHE 30 1HE PHE 30 -1.722 7.681 2.149 234 HE2 PHE 30 2HE PHE 30 -2.111 11.073 -0.370 235 HZ PHE 30 HZ PHE 30 -1.067 8.916 0.137 236 H GLY 31 H GLY 31 -4.985 11.621 6.996 237 1HA GLY 31 1HA GLY 31 -6.752 12.288 8.230 238 2HA GLY 31 2HA GLY 31 -6.401 13.868 7.557 239 H VAL 32 H VAL 32 -7.757 10.793 6.154 240 HA VAL 32 HA VAL 32 -9.978 12.423 5.137 241 HB VAL 32 HB VAL 32 -8.419 11.343 3.499 242 1HG1 VAL 32 1HG1 VAL 32 -8.525 9.156 5.122 243 2HG1 VAL 32 2HG1 VAL 32 -9.694 8.698 3.860 244 3HG1 VAL 32 3HG1 VAL 32 -8.024 9.120 3.414 245 1HG2 VAL 32 1HG2 VAL 32 -11.321 10.447 3.448 246 2HG2 VAL 32 2HG2 VAL 32 -10.682 12.001 2.859 247 3HG2 VAL 32 3HG2 VAL 32 -10.224 10.485 2.047 248 H SER 33 H SER 33 -10.440 11.992 7.676 249 HA SER 33 HA SER 33 -12.292 9.764 7.626 250 1HB SER 33 1HB SER 33 -10.144 9.094 8.818 251 2HB SER 33 2HB SER 33 -10.472 10.344 10.002 252 HG SER 33 HG SER 33 -11.337 7.868 10.114 253 H ALA 34 H ALA 34 -13.883 11.494 7.280 254 HA ALA 34 HA ALA 34 -14.837 12.577 9.743 255 1HB ALA 34 1HB ALA 34 -13.195 14.287 9.348 256 2HB ALA 34 2HB ALA 34 -13.634 14.397 7.627 257 3HB ALA 34 3HB ALA 34 -14.772 14.963 8.873 258 H ALA 35 H ALA 35 -16.684 11.320 9.213 259 HA ALA 35 HA ALA 35 -18.485 10.679 8.059 260 1HB ALA 35 1HB ALA 35 -19.997 12.597 7.511 261 2HB ALA 35 2HB ALA 35 -19.264 12.726 9.128 262 3HB ALA 35 3HB ALA 35 -18.633 13.708 7.784 263 H ALA 36 H ALA 36 -16.947 9.682 6.418 264 HA ALA 36 HA ALA 36 -16.101 10.790 4.116 265 1HB ALA 36 1HB ALA 36 -16.406 8.515 3.131 266 2HB ALA 36 2HB ALA 36 -15.682 8.472 4.757 267 3HB ALA 36 3HB ALA 36 -17.402 8.070 4.537 268 H ALA 37 H ALA 37 -16.964 10.967 1.927 269 HA ALA 37 HA ALA 37 -19.884 10.987 1.789 270 1HB ALA 37 1HB ALA 37 -19.785 13.209 0.665 271 2HB ALA 37 2HB ALA 37 -19.235 13.277 2.356 272 3HB ALA 37 3HB ALA 37 -18.045 13.294 1.033 273 1H SER 1 H SER 1 10.803 -4.570 0.005 274 HA SER 1 HA SER 1 10.689 -3.809 2.784 275 1HB SER 1 1HB SER 1 11.334 -1.823 0.559 276 2HB SER 1 2HB SER 1 10.962 -1.384 2.214 277 HG SER 1 HG SER 1 12.844 -2.716 2.866 278 H ILE 2 H ILE 2 8.587 -5.001 2.272 279 HA ILE 2 HA ILE 2 6.734 -3.282 0.789 280 HB ILE 2 HB ILE 2 6.276 -6.125 1.671 281 1HG1 ILE 2 1HG1 ILE 2 7.476 -5.172 -0.946 282 2HG1 ILE 2 2HG1 ILE 2 8.320 -6.057 0.309 283 1HG2 ILE 2 1HG2 ILE 2 4.405 -6.109 0.359 284 2HG2 ILE 2 2HG2 ILE 2 4.433 -4.405 0.871 285 3HG2 ILE 2 3HG2 ILE 2 5.041 -4.860 -0.738 286 1HD1 ILE 2 1HD1 ILE 2 6.892 -8.008 0.009 287 2HD1 ILE 2 2HD1 ILE 2 5.818 -7.107 -1.088 288 3HD1 ILE 2 3HD1 ILE 2 7.478 -7.503 -1.594 289 H THR 3 H THR 3 7.237 -1.945 2.947 290 HA THR 3 HA THR 3 5.716 -2.915 5.210 291 HB THR 3 HB THR 3 6.561 -0.709 6.173 292 HG1 THR 3 1HG THR 3 7.860 0.528 4.702 293 1HG2 THR 3 1HG2 THR 3 8.750 -2.265 4.704 294 2HG2 THR 3 2HG2 THR 3 8.943 -1.283 6.176 295 3HG2 THR 3 3HG2 THR 3 8.022 -2.805 6.236 296 H LYS 4 H LYS 4 4.013 -1.606 6.243 297 HA LYS 4 HA LYS 4 1.990 -1.030 4.395 298 1HB LYS 4 1HB LYS 4 2.356 -0.843 7.349 299 2HB LYS 4 2HB LYS 4 1.056 0.098 6.646 300 1HG LYS 4 1HG LYS 4 0.045 -1.874 5.647 301 2HG LYS 4 2HG LYS 4 1.450 -2.858 6.009 302 1HD LYS 4 1HD LYS 4 -0.166 -1.505 8.209 303 2HD LYS 4 2HD LYS 4 -0.602 -3.084 7.585 304 1HE LYS 4 1HE LYS 4 0.994 -4.077 8.856 305 2HE LYS 4 2HE LYS 4 2.242 -3.081 8.133 306 1HZ LYS 4 1HZ LYS 4 1.590 -1.327 9.702 307 2HZ LYS 4 2HZ LYS 4 0.553 -2.361 10.425 308 3HZ LYS 4 3HZ LYS 4 2.158 -2.665 10.447 309 H ASP 5 H ASP 5 4.311 1.032 6.221 310 HA ASP 5 HA ASP 5 3.162 3.443 5.642 311 1HB ASP 5 1HB ASP 5 6.005 2.528 6.148 312 2HB ASP 5 2HB ASP 5 5.717 4.201 5.715 313 H GLN 6 H GLN 6 5.464 1.365 3.794 314 HA GLN 6 HA GLN 6 6.199 3.176 1.876 315 1HB GLN 6 1HB GLN 6 6.093 0.192 2.088 316 2HB GLN 6 2HB GLN 6 6.262 0.843 0.470 317 1HG GLN 6 1HG GLN 6 8.031 1.842 2.731 318 2HG GLN 6 2HG GLN 6 8.431 0.368 1.871 319 1HE2 GLN 6 1HE2 GLN 6 8.753 0.437 -0.408 320 2HE2 GLN 6 2HE2 GLN 6 9.317 1.877 -1.191 321 H ILE 7 H ILE 7 3.159 1.459 2.358 322 HA ILE 7 HA ILE 7 2.281 1.832 -0.351 323 HB ILE 7 HB ILE 7 0.810 0.940 2.132 324 1HG1 ILE 7 1HG1 ILE 7 2.599 -0.591 1.671 325 2HG1 ILE 7 2HG1 ILE 7 1.091 -1.332 1.175 326 1HG2 ILE 7 1HG2 ILE 7 -0.848 1.679 0.649 327 2HG2 ILE 7 2HG2 ILE 7 0.016 1.054 -0.776 328 3HG2 ILE 7 3HG2 ILE 7 -0.743 -0.076 0.371 329 1HD1 ILE 7 1HD1 ILE 7 3.239 -0.102 -0.589 330 2HD1 ILE 7 2HD1 ILE 7 2.599 -1.763 -0.622 331 3HD1 ILE 7 3HD1 ILE 7 1.594 -0.411 -1.196 332 H ILE 8 H ILE 8 2.071 3.502 2.787 333 HA ILE 8 HA ILE 8 -0.047 5.202 2.169 334 HB ILE 8 HB ILE 8 2.337 5.594 3.980 335 1HG1 ILE 8 1HG1 ILE 8 -0.438 4.489 4.495 336 2HG1 ILE 8 2HG1 ILE 8 1.071 3.599 4.544 337 1HG2 ILE 8 1HG2 ILE 8 1.074 7.314 5.096 338 2HG2 ILE 8 2HG2 ILE 8 1.214 7.723 3.369 339 3HG2 ILE 8 3HG2 ILE 8 -0.311 7.064 4.006 340 1HD1 ILE 8 1HD1 ILE 8 0.802 4.076 6.808 341 2HD1 ILE 8 2HD1 ILE 8 1.762 5.489 6.307 342 3HD1 ILE 8 3HD1 ILE 8 -0.003 5.632 6.491 343 H GLU 9 H GLU 9 3.518 5.517 1.644 344 HA GLU 9 HA GLU 9 3.247 8.101 0.565 345 1HB GLU 9 1HB GLU 9 5.535 6.092 0.369 346 2HB GLU 9 2HB GLU 9 5.649 7.779 -0.094 347 1HG GLU 9 1HG GLU 9 4.690 8.155 2.399 348 2HG GLU 9 2HG GLU 9 5.402 6.574 2.659 349 H ALA 10 H ALA 10 2.566 4.956 -0.642 350 HA ALA 10 HA ALA 10 3.285 5.456 -3.365 351 1HB ALA 10 1HB ALA 10 2.330 3.289 -3.762 352 2HB ALA 10 2HB ALA 10 3.171 3.199 -2.195 353 3HB ALA 10 3HB ALA 10 1.398 3.351 -2.246 354 H VAL 11 H VAL 11 0.435 5.879 -1.263 355 HA VAL 11 HA VAL 11 -1.298 6.390 -3.502 356 HB VAL 11 HB VAL 11 -1.583 6.480 -0.502 357 1HG1 VAL 11 1HG1 VAL 11 -3.601 7.291 -2.614 358 2HG1 VAL 11 2HG1 VAL 11 -4.043 6.854 -0.946 359 3HG1 VAL 11 3HG1 VAL 11 -2.992 8.259 -1.250 360 1HG2 VAL 11 1HG2 VAL 11 -3.155 4.780 -2.433 361 2HG2 VAL 11 2HG2 VAL 11 -1.524 4.297 -1.910 362 3HG2 VAL 11 3HG2 VAL 11 -2.817 4.510 -0.706 363 H ALA 12 H ALA 12 0.914 8.149 -1.423 364 HA ALA 12 HA ALA 12 -0.327 10.696 -2.022 365 1HB ALA 12 1HB ALA 12 2.185 9.908 -0.491 366 2HB ALA 12 2HB ALA 12 1.550 11.565 -0.624 367 3HB ALA 12 3HB ALA 12 0.598 10.311 0.207 368 H ALA 13 H ALA 13 1.255 8.562 -3.890 369 HA ALA 13 HA ALA 13 3.137 10.488 -5.026 370 1HB ALA 13 1HB ALA 13 4.031 8.543 -6.220 371 2HB ALA 13 2HB ALA 13 3.918 8.189 -4.480 372 3HB ALA 13 3HB ALA 13 2.705 7.528 -5.603 373 H MET 14 H MET 14 0.027 8.877 -5.530 374 HA MET 14 HA MET 14 0.021 9.760 -8.291 375 1HB MET 14 1HB MET 14 -1.992 8.069 -6.705 376 2HB MET 14 2HB MET 14 -2.038 8.327 -8.438 377 1HG MET 14 1HG MET 14 0.079 7.136 -8.746 378 2HG MET 14 2HG MET 14 0.348 7.056 -7.017 379 1HE MET 14 1HE MET 14 0.777 4.649 -8.344 380 2HE MET 14 2HE MET 14 0.413 4.337 -6.630 381 3HE MET 14 3HE MET 14 -0.367 3.360 -7.897 382 H SER 15 H SER 15 -2.242 10.621 -9.078 383 HA SER 15 HA SER 15 -2.759 12.915 -7.508 384 1HB SER 15 1HB SER 15 -4.709 12.965 -9.425 385 2HB SER 15 2HB SER 15 -3.073 13.537 -9.681 386 HG SER 15 HG SER 15 -3.879 11.996 -11.323 387 H VAL 16 H VAL 16 -5.047 13.575 -6.864 388 HA VAL 16 HA VAL 16 -6.137 11.687 -5.155 389 HB VAL 16 HB VAL 16 -7.222 14.242 -6.342 390 1HG1 VAL 16 1HG1 VAL 16 -8.837 14.185 -4.400 391 2HG1 VAL 16 2HG1 VAL 16 -9.156 12.999 -5.688 392 3HG1 VAL 16 3HG1 VAL 16 -8.388 12.478 -4.170 393 1HG2 VAL 16 1HG2 VAL 16 -6.464 15.316 -4.400 394 2HG2 VAL 16 2HG2 VAL 16 -6.285 13.786 -3.508 395 3HG2 VAL 16 3HG2 VAL 16 -5.144 14.195 -4.811 396 H MET 17 H MET 17 -7.132 12.726 -8.474 397 HA MET 17 HA MET 17 -9.437 11.241 -8.587 398 1HB MET 17 1HB MET 17 -7.463 12.409 -10.545 399 2HB MET 17 2HB MET 17 -8.576 11.223 -11.196 400 1HG MET 17 1HG MET 17 -9.510 13.615 -9.545 401 2HG MET 17 2HG MET 17 -9.358 13.675 -11.290 402 1HE MET 17 1HE MET 17 -11.422 13.448 -12.636 403 2HE MET 17 2HE MET 17 -12.976 13.096 -11.842 404 3HE MET 17 3HE MET 17 -11.927 14.388 -11.211 405 H ASP 18 H ASP 18 -6.041 10.345 -9.455 406 HA ASP 18 HA ASP 18 -6.714 7.894 -10.563 407 1HB ASP 18 1HB ASP 18 -4.501 9.196 -10.726 408 2HB ASP 18 2HB ASP 18 -4.116 8.597 -9.125 409 H VAL 19 H VAL 19 -6.296 9.075 -7.250 410 HA VAL 19 HA VAL 19 -5.848 6.486 -6.106 411 HB VAL 19 HB VAL 19 -6.320 9.266 -5.059 412 1HG1 VAL 19 1HG1 VAL 19 -7.489 7.896 -3.477 413 2HG1 VAL 19 2HG1 VAL 19 -6.175 6.695 -3.456 414 3HG1 VAL 19 3HG1 VAL 19 -5.913 8.314 -2.764 415 1HG2 VAL 19 1HG2 VAL 19 -4.051 9.046 -4.213 416 2HG2 VAL 19 2HG2 VAL 19 -3.981 7.352 -4.757 417 3HG2 VAL 19 3HG2 VAL 19 -4.084 8.667 -5.952 418 H VAL 20 H VAL 20 -8.596 8.594 -6.895 419 HA VAL 20 HA VAL 20 -10.469 7.376 -5.200 420 HB VAL 20 HB VAL 20 -10.567 9.035 -7.697 421 1HG1 VAL 20 1HG1 VAL 20 -13.080 9.126 -7.372 422 2HG1 VAL 20 2HG1 VAL 20 -12.442 7.608 -8.050 423 3HG1 VAL 20 3HG1 VAL 20 -12.916 7.688 -6.335 424 1HG2 VAL 20 1HG2 VAL 20 -11.513 10.706 -6.244 425 2HG2 VAL 20 2HG2 VAL 20 -11.675 9.532 -4.916 426 3HG2 VAL 20 3HG2 VAL 20 -10.059 10.042 -5.460 427 H GLU 21 H GLU 21 -9.500 6.766 -8.635 428 HA GLU 21 HA GLU 21 -11.351 4.795 -9.118 429 1HB GLU 21 1HB GLU 21 -8.593 5.373 -10.241 430 2HB GLU 21 2HB GLU 21 -9.519 3.999 -10.814 431 1HG GLU 21 1HG GLU 21 -10.867 6.703 -10.688 432 2HG GLU 21 2HG GLU 21 -9.739 6.388 -11.991 433 H LEU 22 H LEU 22 -7.972 4.563 -7.829 434 HA LEU 22 HA LEU 22 -7.843 1.811 -7.640 435 1HB LEU 22 1HB LEU 22 -5.960 3.355 -7.393 436 2HB LEU 22 2HB LEU 22 -6.604 3.919 -5.864 437 HG LEU 22 HG LEU 22 -6.425 1.439 -5.111 438 1HD1 LEU 22 1HD1 LEU 22 -5.955 0.696 -7.514 439 2HD1 LEU 22 2HD1 LEU 22 -4.309 1.322 -7.258 440 3HD1 LEU 22 3HD1 LEU 22 -4.934 0.014 -6.225 441 1HD2 LEU 22 1HD2 LEU 22 -5.085 3.126 -4.095 442 2HD2 LEU 22 2HD2 LEU 22 -4.005 1.778 -4.523 443 3HD2 LEU 22 3HD2 LEU 22 -4.035 3.248 -5.527 444 H ILE 23 H ILE 23 -8.668 4.135 -4.962 445 HA ILE 23 HA ILE 23 -9.338 2.191 -3.137 446 HB ILE 23 HB ILE 23 -10.226 5.049 -3.470 447 1HG1 ILE 23 1HG1 ILE 23 -7.842 4.713 -3.057 448 2HG1 ILE 23 2HG1 ILE 23 -8.622 5.484 -1.690 449 1HG2 ILE 23 1HG2 ILE 23 -10.804 4.768 -0.953 450 2HG2 ILE 23 2HG2 ILE 23 -11.980 4.252 -2.186 451 3HG2 ILE 23 3HG2 ILE 23 -10.968 3.043 -1.359 452 1HD1 ILE 23 1HD1 ILE 23 -7.284 3.820 -0.677 453 2HD1 ILE 23 2HD1 ILE 23 -8.891 3.057 -0.736 454 3HD1 ILE 23 3HD1 ILE 23 -7.655 2.622 -1.940 455 H SER 24 H SER 24 -11.218 3.586 -5.828 456 HA SER 24 HA SER 24 -13.705 2.767 -4.910 457 1HB SER 24 1HB SER 24 -12.552 3.566 -7.578 458 2HB SER 24 2HB SER 24 -14.148 2.844 -7.552 459 HG SER 24 HG SER 24 -14.729 4.509 -5.914 460 H ALA 25 H ALA 25 -11.182 1.186 -6.934 461 HA ALA 25 HA ALA 25 -12.670 -1.006 -7.767 462 1HB ALA 25 1HB ALA 25 -10.296 -2.066 -7.836 463 2HB ALA 25 2HB ALA 25 -10.603 -0.622 -8.831 464 3HB ALA 25 3HB ALA 25 -9.730 -0.470 -7.287 465 H MET 26 H MET 26 -10.411 -0.693 -4.931 466 HA MET 26 HA MET 26 -10.861 -3.171 -3.901 467 1HB MET 26 1HB MET 26 -10.269 -0.469 -2.591 468 2HB MET 26 2HB MET 26 -10.283 -1.951 -1.656 469 1HG MET 26 1HG MET 26 -8.536 -2.918 -3.188 470 2HG MET 26 2HG MET 26 -8.507 -1.415 -4.089 471 1HE MET 26 1HE MET 26 -6.348 -0.317 -3.817 472 2HE MET 26 2HE MET 26 -5.283 -0.521 -2.405 473 3HE MET 26 3HE MET 26 -5.787 -1.941 -3.352 474 H GLU 27 H GLU 27 -12.702 -0.111 -3.335 475 HA GLU 27 HA GLU 27 -14.281 -0.904 -1.302 476 1HB GLU 27 1HB GLU 27 -14.600 0.989 -3.601 477 2HB GLU 27 2HB GLU 27 -16.058 0.594 -2.714 478 1HG GLU 27 1HG GLU 27 -14.840 1.187 -0.563 479 2HG GLU 27 2HG GLU 27 -13.474 1.710 -1.528 480 H GLU 28 H GLU 28 -14.701 -1.580 -4.823 481 HA GLU 28 HA GLU 28 -17.203 -2.846 -4.365 482 1HB GLU 28 1HB GLU 28 -16.439 -1.587 -6.487 483 2HB GLU 28 2HB GLU 28 -15.505 -3.017 -6.883 484 1HG GLU 28 1HG GLU 28 -17.696 -4.362 -6.596 485 2HG GLU 28 2HG GLU 28 -18.528 -2.820 -6.546 486 H LYS 29 H LYS 29 -13.852 -3.909 -5.252 487 HA LYS 29 HA LYS 29 -14.393 -6.586 -5.580 488 1HB LYS 29 1HB LYS 29 -12.304 -5.647 -6.275 489 2HB LYS 29 2HB LYS 29 -11.905 -5.137 -4.647 490 1HG LYS 29 1HG LYS 29 -11.416 -7.320 -3.925 491 2HG LYS 29 2HG LYS 29 -12.464 -8.066 -5.115 492 1HD LYS 29 1HD LYS 29 -10.883 -7.530 -6.925 493 2HD LYS 29 2HD LYS 29 -9.875 -6.611 -5.826 494 1HE LYS 29 1HE LYS 29 -9.469 -8.703 -4.482 495 2HE LYS 29 2HE LYS 29 -10.433 -9.610 -5.630 496 1HZ LYS 29 1HZ LYS 29 -8.021 -8.087 -6.336 497 2HZ LYS 29 2HZ LYS 29 -8.066 -9.702 -6.097 498 3HZ LYS 29 3HZ LYS 29 -8.888 -9.038 -7.342 499 H PHE 30 H PHE 30 -12.963 -5.082 -2.590 500 HA PHE 30 HA PHE 30 -13.546 -7.440 -1.108 501 1HB PHE 30 1HB PHE 30 -12.669 -4.576 -0.401 502 2HB PHE 30 2HB PHE 30 -12.690 -5.882 0.768 503 HD1 PHE 30 1HD PHE 30 -11.169 -7.862 0.404 504 HD2 PHE 30 2HD PHE 30 -10.849 -4.301 -1.882 505 HE1 PHE 30 1HE PHE 30 -8.839 -8.506 -0.274 506 HE2 PHE 30 2HE PHE 30 -8.519 -4.945 -2.560 507 HZ PHE 30 HZ PHE 30 -7.542 -7.040 -1.747 508 H GLY 31 H GLY 31 -15.543 -4.993 -2.226 509 1HA GLY 31 1HA GLY 31 -17.540 -4.165 -1.604 510 2HA GLY 31 2HA GLY 31 -17.784 -5.715 -0.824 511 H VAL 32 H VAL 32 -15.706 -2.787 -0.199 512 HA VAL 32 HA VAL 32 -16.926 -2.681 2.468 513 HB VAL 32 HB VAL 32 -14.012 -2.213 1.809 514 1HG1 VAL 32 1HG1 VAL 32 -14.702 -0.843 3.665 515 2HG1 VAL 32 2HG1 VAL 32 -15.543 -2.213 4.430 516 3HG1 VAL 32 3HG1 VAL 32 -13.767 -2.216 4.304 517 1HG2 VAL 32 1HG2 VAL 32 -14.282 -4.541 1.617 518 2HG2 VAL 32 2HG2 VAL 32 -13.730 -4.297 3.292 519 3HG2 VAL 32 3HG2 VAL 32 -15.450 -4.609 2.959 520 H SER 33 H SER 33 -18.349 -1.201 1.057 521 HA SER 33 HA SER 33 -17.009 1.313 0.537 522 1HB SER 33 1HB SER 33 -19.037 1.913 -0.719 523 2HB SER 33 2HB SER 33 -18.426 0.363 -1.259 524 HG SER 33 HG SER 33 -20.087 -0.715 -0.213 525 H ALA 34 H ALA 34 -17.316 3.106 1.844 526 HA ALA 34 HA ALA 34 -19.475 2.912 3.831 527 1HB ALA 34 1HB ALA 34 -17.931 4.067 5.402 528 2HB ALA 34 2HB ALA 34 -17.304 2.482 4.888 529 3HB ALA 34 3HB ALA 34 -16.641 3.974 4.179 530 H ALA 35 H ALA 35 -20.545 4.030 1.851 531 HA ALA 35 HA ALA 35 -20.822 6.740 2.447 532 1HB ALA 35 1HB ALA 35 -18.730 7.237 1.477 533 2HB ALA 35 2HB ALA 35 -18.948 6.046 0.173 534 3HB ALA 35 3HB ALA 35 -19.891 7.555 0.165 535 H ALA 36 H ALA 36 -22.917 5.476 2.469 536 HA ALA 36 HA ALA 36 -24.417 6.093 0.204 537 1HB ALA 36 1HB ALA 36 -23.400 3.248 0.403 538 2HB ALA 36 2HB ALA 36 -24.949 3.624 -0.389 539 3HB ALA 36 3HB ALA 36 -23.437 4.325 -1.014 540 H ALA 37 H ALA 37 -25.708 7.002 1.873 541 HA ALA 37 HA ALA 37 -27.252 7.042 3.459 542 1HB ALA 37 1HB ALA 37 -28.401 5.684 1.676 543 2HB ALA 37 2HB ALA 37 -27.893 4.213 2.540 544 3HB ALA 37 3HB ALA 37 -28.998 5.368 3.323 Start of MODEL 10 1 1H SER 1 H SER 1 5.233 -2.251 -14.866 2 HA SER 1 HA SER 1 3.033 -2.074 -14.803 3 1HB SER 1 1HB SER 1 3.879 -4.790 -14.043 4 2HB SER 1 2HB SER 1 2.237 -4.449 -13.535 5 HG SER 1 HG SER 1 1.774 -4.978 -15.569 6 H ILE 2 H ILE 2 3.178 -0.249 -13.146 7 HA ILE 2 HA ILE 2 2.206 -1.098 -10.519 8 HB ILE 2 HB ILE 2 3.195 1.630 -11.327 9 1HG1 ILE 2 1HG1 ILE 2 4.815 -0.663 -10.181 10 2HG1 ILE 2 2HG1 ILE 2 4.943 -0.037 -11.813 11 1HG2 ILE 2 1HG2 ILE 2 3.174 2.177 -9.107 12 2HG2 ILE 2 2HG2 ILE 2 1.792 1.056 -9.163 13 3HG2 ILE 2 3HG2 ILE 2 3.373 0.492 -8.569 14 1HD1 ILE 2 1HD1 ILE 2 6.614 0.835 -9.986 15 2HD1 ILE 2 2HD1 ILE 2 5.885 2.010 -11.106 16 3HD1 ILE 2 3HD1 ILE 2 5.246 1.842 -9.454 17 H THR 3 H THR 3 0.216 -1.619 -12.098 18 HA THR 3 HA THR 3 -1.366 0.776 -12.578 19 HB THR 3 HB THR 3 -2.908 -0.964 -13.623 20 HG1 THR 3 1HG THR 3 -2.186 -3.121 -13.437 21 1HG2 THR 3 1HG2 THR 3 -1.632 -0.573 -15.481 22 2HG2 THR 3 2HG2 THR 3 -0.185 -0.300 -14.482 23 3HG2 THR 3 3HG2 THR 3 -0.618 -1.950 -14.988 24 H LYS 4 H LYS 4 -3.627 0.909 -11.826 25 HA LYS 4 HA LYS 4 -3.732 0.776 -9.068 26 1HB LYS 4 1HB LYS 4 -5.731 1.206 -11.259 27 2HB LYS 4 2HB LYS 4 -6.318 0.954 -9.628 28 1HG LYS 4 1HG LYS 4 -5.968 3.197 -9.366 29 2HG LYS 4 2HG LYS 4 -4.284 2.758 -9.161 30 1HD LYS 4 1HD LYS 4 -4.044 4.309 -10.869 31 2HD LYS 4 2HD LYS 4 -4.270 2.868 -11.842 32 1HE LYS 4 1HE LYS 4 -6.869 3.976 -11.109 33 2HE LYS 4 2HE LYS 4 -5.879 5.225 -11.836 34 1HZ LYS 4 1HZ LYS 4 -5.388 3.478 -13.582 35 2HZ LYS 4 2HZ LYS 4 -6.672 2.661 -12.988 36 3HZ LYS 4 3HZ LYS 4 -6.872 4.161 -13.603 37 H ASP 5 H ASP 5 -4.971 -1.510 -11.574 38 HA ASP 5 HA ASP 5 -6.353 -3.119 -9.823 39 1HB ASP 5 1HB ASP 5 -5.124 -3.443 -12.551 40 2HB ASP 5 2HB ASP 5 -5.613 -4.909 -11.725 41 H GLN 6 H GLN 6 -2.923 -3.086 -10.946 42 HA GLN 6 HA GLN 6 -2.177 -5.550 -9.996 43 1HB GLN 6 1HB GLN 6 -0.795 -3.014 -10.747 44 2HB GLN 6 2HB GLN 6 0.133 -4.098 -9.730 45 1HG GLN 6 1HG GLN 6 -1.298 -5.430 -11.983 46 2HG GLN 6 2HG GLN 6 -0.048 -4.306 -12.477 47 1HE2 GLN 6 1HE2 GLN 6 0.046 -7.061 -12.902 48 2HE2 GLN 6 2HE2 GLN 6 1.358 -7.752 -12.007 49 H ILE 7 H ILE 7 -2.721 -2.473 -8.317 50 HA ILE 7 HA ILE 7 -1.289 -3.231 -5.969 51 HB ILE 7 HB ILE 7 -3.197 -1.000 -6.645 52 1HG1 ILE 7 1HG1 ILE 7 -0.278 -0.774 -5.929 53 2HG1 ILE 7 2HG1 ILE 7 -0.772 -1.172 -7.562 54 1HG2 ILE 7 1HG2 ILE 7 -2.710 0.000 -4.490 55 2HG2 ILE 7 2HG2 ILE 7 -3.459 -1.599 -4.268 56 3HG2 ILE 7 3HG2 ILE 7 -1.706 -1.399 -4.037 57 1HD1 ILE 7 1HD1 ILE 7 -2.010 1.197 -6.125 58 2HD1 ILE 7 2HD1 ILE 7 -0.439 1.345 -6.950 59 3HD1 ILE 7 3HD1 ILE 7 -1.891 0.895 -7.875 60 H ILE 8 H ILE 8 -4.659 -3.423 -7.164 61 HA ILE 8 HA ILE 8 -5.912 -4.038 -4.785 62 HB ILE 8 HB ILE 8 -6.473 -4.950 -7.607 63 1HG1 ILE 8 1HG1 ILE 8 -7.542 -2.639 -5.961 64 2HG1 ILE 8 2HG1 ILE 8 -6.470 -2.527 -7.343 65 1HG2 ILE 8 1HG2 ILE 8 -8.055 -5.282 -5.065 66 2HG2 ILE 8 2HG2 ILE 8 -8.849 -5.199 -6.656 67 3HG2 ILE 8 3HG2 ILE 8 -7.666 -6.486 -6.317 68 1HD1 ILE 8 1HD1 ILE 8 -8.464 -2.200 -8.457 69 2HD1 ILE 8 2HD1 ILE 8 -8.456 -3.980 -8.489 70 3HD1 ILE 8 3HD1 ILE 8 -9.404 -3.116 -7.255 71 H GLU 9 H GLU 9 -4.248 -6.213 -7.154 72 HA GLU 9 HA GLU 9 -4.854 -8.545 -5.798 73 1HB GLU 9 1HB GLU 9 -2.754 -7.731 -7.810 74 2HB GLU 9 2HB GLU 9 -2.631 -9.307 -7.054 75 1HG GLU 9 1HG GLU 9 -4.784 -9.998 -7.892 76 2HG GLU 9 2HG GLU 9 -5.231 -8.359 -8.322 77 H ALA 10 H ALA 10 -2.633 -5.963 -5.063 78 HA ALA 10 HA ALA 10 -0.813 -7.555 -3.536 79 1HB ALA 10 1HB ALA 10 -0.866 -4.987 -4.657 80 2HB ALA 10 2HB ALA 10 -0.900 -4.702 -2.901 81 3HB ALA 10 3HB ALA 10 0.412 -5.666 -3.621 82 H VAL 11 H VAL 11 -3.617 -5.370 -2.867 83 HA VAL 11 HA VAL 11 -3.436 -5.587 -0.075 84 HB VAL 11 HB VAL 11 -5.624 -4.846 -2.009 85 1HG1 VAL 11 1HG1 VAL 11 -7.059 -5.425 -0.345 86 2HG1 VAL 11 2HG1 VAL 11 -5.805 -5.349 0.916 87 3HG1 VAL 11 3HG1 VAL 11 -6.560 -3.851 0.320 88 1HG2 VAL 11 1HG2 VAL 11 -5.237 -2.581 -1.078 89 2HG2 VAL 11 2HG2 VAL 11 -3.928 -3.240 -0.067 90 3HG2 VAL 11 3HG2 VAL 11 -3.782 -3.265 -1.841 91 H ALA 12 H ALA 12 -4.627 -7.729 -2.601 92 HA ALA 12 HA ALA 12 -6.252 -9.250 -0.761 93 1HB ALA 12 1HB ALA 12 -6.868 -8.847 -3.160 94 2HB ALA 12 2HB ALA 12 -5.459 -9.820 -3.644 95 3HB ALA 12 3HB ALA 12 -6.788 -10.572 -2.730 96 H ALA 13 H ALA 13 -2.988 -8.857 -1.131 97 HA ALA 13 HA ALA 13 -2.346 -11.699 -1.015 98 1HB ALA 13 1HB ALA 13 -0.166 -11.068 -1.600 99 2HB ALA 13 2HB ALA 13 -1.161 -9.879 -2.475 100 3HB ALA 13 3HB ALA 13 -0.361 -9.422 -0.952 101 H MET 14 H MET 14 -2.686 -8.794 0.960 102 HA MET 14 HA MET 14 -1.252 -10.070 3.125 103 1HB MET 14 1HB MET 14 -2.546 -7.298 2.850 104 2HB MET 14 2HB MET 14 -1.608 -7.813 4.238 105 1HG MET 14 1HG MET 14 0.320 -7.246 3.182 106 2HG MET 14 2HG MET 14 -0.038 -8.361 1.879 107 1HE MET 14 1HE MET 14 0.352 -5.215 3.248 108 2HE MET 14 2HE MET 14 0.836 -4.422 1.729 109 3HE MET 14 3HE MET 14 -0.736 -4.039 2.471 110 H SER 15 H SER 15 -2.345 -9.684 5.416 111 HA SER 15 HA SER 15 -4.855 -11.016 5.232 112 1HB SER 15 1HB SER 15 -4.531 -10.528 7.905 113 2HB SER 15 2HB SER 15 -3.828 -11.898 7.068 114 HG SER 15 HG SER 15 -1.867 -11.088 7.363 115 H VAL 16 H VAL 16 -6.700 -10.223 6.803 116 HA VAL 16 HA VAL 16 -7.544 -7.733 5.848 117 HB VAL 16 HB VAL 16 -8.533 -9.396 8.173 118 1HG1 VAL 16 1HG1 VAL 16 -10.364 -7.640 6.611 119 2HG1 VAL 16 2HG1 VAL 16 -10.382 -8.075 8.337 120 3HG1 VAL 16 3HG1 VAL 16 -9.245 -6.841 7.741 121 1HG2 VAL 16 1HG2 VAL 16 -8.486 -9.980 5.408 122 2HG2 VAL 16 2HG2 VAL 16 -9.364 -10.843 6.693 123 3HG2 VAL 16 3HG2 VAL 16 -10.163 -9.529 5.797 124 H MET 17 H MET 17 -6.158 -8.799 9.012 125 HA MET 17 HA MET 17 -6.454 -6.380 10.294 126 1HB MET 17 1HB MET 17 -4.719 -8.832 10.557 127 2HB MET 17 2HB MET 17 -4.178 -7.416 11.437 128 1HG MET 17 1HG MET 17 -6.549 -7.243 12.415 129 2HG MET 17 2HG MET 17 -6.887 -8.802 11.691 130 1HE MET 17 1HE MET 17 -5.999 -11.059 14.425 131 2HE MET 17 2HE MET 17 -7.340 -10.225 13.603 132 3HE MET 17 3HE MET 17 -6.102 -11.076 12.648 133 H ASP 18 H ASP 18 -3.733 -7.665 8.286 134 HA ASP 18 HA ASP 18 -1.961 -5.641 8.789 135 1HB ASP 18 1HB ASP 18 -1.565 -7.820 7.523 136 2HB ASP 18 2HB ASP 18 -2.354 -7.100 6.135 137 H VAL 19 H VAL 19 -4.753 -5.906 6.554 138 HA VAL 19 HA VAL 19 -4.033 -3.586 5.043 139 HB VAL 19 HB VAL 19 -6.598 -5.185 5.178 140 1HG1 VAL 19 1HG1 VAL 19 -7.445 -3.948 3.482 141 2HG1 VAL 19 2HG1 VAL 19 -6.321 -2.709 4.090 142 3HG1 VAL 19 3HG1 VAL 19 -5.858 -3.728 2.706 143 1HG2 VAL 19 1HG2 VAL 19 -4.076 -5.994 4.267 144 2HG2 VAL 19 2HG2 VAL 19 -5.642 -6.764 3.918 145 3HG2 VAL 19 3HG2 VAL 19 -4.975 -5.555 2.795 146 H VAL 20 H VAL 20 -6.015 -4.375 7.894 147 HA VAL 20 HA VAL 20 -7.558 -2.056 7.947 148 HB VAL 20 HB VAL 20 -6.640 -4.098 9.929 149 1HG1 VAL 20 1HG1 VAL 20 -8.170 -2.899 11.614 150 2HG1 VAL 20 2HG1 VAL 20 -6.540 -2.231 11.358 151 3HG1 VAL 20 3HG1 VAL 20 -7.949 -1.456 10.595 152 1HG2 VAL 20 1HG2 VAL 20 -9.420 -3.178 9.132 153 2HG2 VAL 20 2HG2 VAL 20 -8.534 -4.503 8.339 154 3HG2 VAL 20 3HG2 VAL 20 -8.984 -4.636 10.056 155 H GLU 21 H GLU 21 -4.236 -2.786 9.118 156 HA GLU 21 HA GLU 21 -3.920 -0.360 10.456 157 1HB GLU 21 1HB GLU 21 -2.110 -2.541 9.457 158 2HB GLU 21 2HB GLU 21 -1.364 -1.013 9.878 159 1HG GLU 21 1HG GLU 21 -3.336 -2.304 11.788 160 2HG GLU 21 2HG GLU 21 -1.678 -2.869 11.735 161 H LEU 22 H LEU 22 -3.089 -1.459 7.110 162 HA LEU 22 HA LEU 22 -1.823 0.834 6.251 163 1HB LEU 22 1HB LEU 22 -2.031 -1.405 5.115 164 2HB LEU 22 2HB LEU 22 -3.636 -0.925 4.602 165 HG LEU 22 HG LEU 22 -2.282 1.192 3.666 166 1HD1 LEU 22 1HD1 LEU 22 -0.200 -0.316 2.615 167 2HD1 LEU 22 2HD1 LEU 22 -0.077 0.957 3.853 168 3HD1 LEU 22 3HD1 LEU 22 -0.221 -0.749 4.342 169 1HD2 LEU 22 1HD2 LEU 22 -2.251 0.082 1.477 170 2HD2 LEU 22 2HD2 LEU 22 -2.501 -1.490 2.273 171 3HD2 LEU 22 3HD2 LEU 22 -3.762 -0.237 2.363 172 H ILE 23 H ILE 23 -5.345 -0.024 5.962 173 HA ILE 23 HA ILE 23 -6.088 2.380 4.801 174 HB ILE 23 HB ILE 23 -7.560 0.305 6.403 175 1HG1 ILE 23 1HG1 ILE 23 -7.712 1.024 3.463 176 2HG1 ILE 23 2HG1 ILE 23 -6.660 -0.219 4.110 177 1HG2 ILE 23 1HG2 ILE 23 -8.526 2.962 5.446 178 2HG2 ILE 23 2HG2 ILE 23 -9.605 1.557 5.273 179 3HG2 ILE 23 3HG2 ILE 23 -8.991 2.016 6.880 180 1HD1 ILE 23 1HD1 ILE 23 -9.455 -0.416 3.463 181 2HD1 ILE 23 2HD1 ILE 23 -8.376 -1.690 4.081 182 3HD1 ILE 23 3HD1 ILE 23 -9.278 -0.658 5.217 183 H SER 24 H SER 24 -5.584 1.445 8.217 184 HA SER 24 HA SER 24 -6.901 3.656 9.283 185 1HB SER 24 1HB SER 24 -4.998 1.565 10.278 186 2HB SER 24 2HB SER 24 -5.144 3.013 11.253 187 HG SER 24 HG SER 24 -7.195 1.120 10.538 188 H ALA 25 H ALA 25 -3.540 3.038 8.195 189 HA ALA 25 HA ALA 25 -2.377 5.315 9.336 190 1HB ALA 25 1HB ALA 25 -0.683 4.891 7.427 191 2HB ALA 25 2HB ALA 25 -0.939 3.585 8.609 192 3HB ALA 25 3HB ALA 25 -1.708 3.499 7.006 193 H MET 26 H MET 26 -3.474 4.706 5.918 194 HA MET 26 HA MET 26 -3.038 7.219 4.996 195 1HB MET 26 1HB MET 26 -5.186 5.140 4.336 196 2HB MET 26 2HB MET 26 -5.004 6.600 3.384 197 1HG MET 26 1HG MET 26 -2.589 5.980 2.959 198 2HG MET 26 2HG MET 26 -2.842 4.486 3.838 199 1HE MET 26 1HE MET 26 -3.013 2.311 1.749 200 2HE MET 26 2HE MET 26 -2.517 3.266 0.331 201 3HE MET 26 3HE MET 26 -1.793 3.596 1.923 202 H GLU 27 H GLU 27 -5.939 5.924 6.710 203 HA GLU 27 HA GLU 27 -7.654 7.967 6.284 204 1HB GLU 27 1HB GLU 27 -7.247 5.961 8.465 205 2HB GLU 27 2HB GLU 27 -8.293 7.312 8.855 206 1HG GLU 27 1HG GLU 27 -9.308 6.719 6.410 207 2HG GLU 27 2HG GLU 27 -8.678 5.135 6.816 208 H GLU 28 H GLU 28 -5.041 7.731 8.769 209 HA GLU 28 HA GLU 28 -5.821 10.233 9.892 210 1HB GLU 28 1HB GLU 28 -4.794 8.177 11.114 211 2HB GLU 28 2HB GLU 28 -3.252 8.724 10.485 212 1HG GLU 28 1HG GLU 28 -4.384 11.072 11.527 213 2HG GLU 28 2HG GLU 28 -4.888 9.846 12.673 214 H LYS 29 H LYS 29 -3.168 8.928 7.830 215 HA LYS 29 HA LYS 29 -1.538 11.167 7.867 216 1HB LYS 29 1HB LYS 29 -0.768 9.031 7.053 217 2HB LYS 29 2HB LYS 29 -1.955 9.025 5.765 218 1HG LYS 29 1HG LYS 29 -0.276 9.927 4.500 219 2HG LYS 29 2HG LYS 29 -0.723 11.434 5.275 220 1HD LYS 29 1HD LYS 29 1.032 10.005 7.069 221 2HD LYS 29 2HD LYS 29 1.767 9.992 5.478 222 1HE LYS 29 1HE LYS 29 0.680 12.528 6.787 223 2HE LYS 29 2HE LYS 29 2.348 12.014 6.940 224 1HZ LYS 29 1HZ LYS 29 1.964 13.563 5.112 225 2HZ LYS 29 2HZ LYS 29 2.592 12.149 4.591 226 3HZ LYS 29 3HZ LYS 29 1.007 12.471 4.366 227 H PHE 30 H PHE 30 -3.849 10.213 5.222 228 HA PHE 30 HA PHE 30 -3.729 12.835 4.126 229 1HB PHE 30 1HB PHE 30 -5.531 10.372 3.735 230 2HB PHE 30 2HB PHE 30 -5.618 11.781 2.696 231 HD1 PHE 30 1HD PHE 30 -3.704 8.806 3.556 232 HD2 PHE 30 2HD PHE 30 -3.786 12.297 1.147 233 HE1 PHE 30 1HE PHE 30 -1.897 7.845 2.103 234 HE2 PHE 30 2HE PHE 30 -1.980 11.337 -0.307 235 HZ PHE 30 HZ PHE 30 -1.056 9.122 0.188 236 H GLY 31 H GLY 31 -5.269 11.619 6.867 237 1HA GLY 31 1HA GLY 31 -7.030 12.269 8.110 238 2HA GLY 31 2HA GLY 31 -6.682 13.872 7.494 239 H VAL 32 H VAL 32 -8.083 10.798 6.126 240 HA VAL 32 HA VAL 32 -10.402 12.404 5.312 241 HB VAL 32 HB VAL 32 -9.010 10.234 3.729 242 1HG1 VAL 32 1HG1 VAL 32 -10.685 11.218 1.942 243 2HG1 VAL 32 2HG1 VAL 32 -11.209 9.962 3.089 244 3HG1 VAL 32 3HG1 VAL 32 -11.624 11.668 3.386 245 1HG2 VAL 32 1HG2 VAL 32 -9.009 13.239 3.551 246 2HG2 VAL 32 2HG2 VAL 32 -7.652 12.094 3.426 247 3HG2 VAL 32 3HG2 VAL 32 -8.808 12.255 2.081 248 H SER 33 H SER 33 -10.987 11.556 7.585 249 HA SER 33 HA SER 33 -11.736 8.762 7.468 250 1HB SER 33 1HB SER 33 -10.854 10.536 9.545 251 2HB SER 33 2HB SER 33 -12.486 10.043 9.951 252 HG SER 33 HG SER 33 -11.495 8.295 10.718 253 H ALA 34 H ALA 34 -13.917 8.068 7.536 254 HA ALA 34 HA ALA 34 -16.084 8.191 7.099 255 1HB ALA 34 1HB ALA 34 -17.398 9.619 8.535 256 2HB ALA 34 2HB ALA 34 -15.972 9.091 9.460 257 3HB ALA 34 3HB ALA 34 -16.029 10.731 8.772 258 H ALA 35 H ALA 35 -15.648 8.556 4.811 259 HA ALA 35 HA ALA 35 -16.980 10.835 3.830 260 1HB ALA 35 1HB ALA 35 -14.261 11.009 2.746 261 2HB ALA 35 2HB ALA 35 -15.321 12.294 3.373 262 3HB ALA 35 3HB ALA 35 -14.317 11.343 4.493 263 H ALA 36 H ALA 36 -18.033 8.767 3.097 264 HA ALA 36 HA ALA 36 -18.314 7.061 1.680 265 1HB ALA 36 1HB ALA 36 -18.737 9.171 0.362 266 2HB ALA 36 2HB ALA 36 -17.084 9.032 -0.285 267 3HB ALA 36 3HB ALA 36 -18.286 7.765 -0.633 268 H ALA 37 H ALA 37 -16.390 6.077 3.037 269 HA ALA 37 HA ALA 37 -14.613 4.926 1.077 270 1HB ALA 37 1HB ALA 37 -12.601 5.442 2.527 271 2HB ALA 37 2HB ALA 37 -13.292 6.848 1.683 272 3HB ALA 37 3HB ALA 37 -13.621 6.600 3.414 273 1H SER 1 H SER 1 11.574 -3.605 -0.184 274 HA SER 1 HA SER 1 11.340 -3.398 2.682 275 1HB SER 1 1HB SER 1 12.579 -1.352 0.966 276 2HB SER 1 2HB SER 1 11.212 -0.715 1.859 277 HG SER 1 HG SER 1 12.310 -1.886 3.781 278 H ILE 2 H ILE 2 9.332 -4.592 1.944 279 HA ILE 2 HA ILE 2 7.418 -2.828 0.610 280 HB ILE 2 HB ILE 2 7.115 -5.764 1.218 281 1HG1 ILE 2 1HG1 ILE 2 8.254 -4.512 -1.299 282 2HG1 ILE 2 2HG1 ILE 2 9.178 -5.391 -0.098 283 1HG2 ILE 2 1HG2 ILE 2 5.833 -4.651 -1.162 284 2HG2 ILE 2 2HG2 ILE 2 5.161 -5.653 0.147 285 3HG2 ILE 2 3HG2 ILE 2 5.283 -3.889 0.350 286 1HD1 ILE 2 1HD1 ILE 2 6.744 -6.682 -1.361 287 2HD1 ILE 2 2HD1 ILE 2 8.305 -6.673 -2.216 288 3HD1 ILE 2 3HD1 ILE 2 8.166 -7.459 -0.625 289 H THR 3 H THR 3 7.802 -1.682 2.912 290 HA THR 3 HA THR 3 6.200 -2.912 4.990 291 HB THR 3 HB THR 3 6.934 -0.784 6.203 292 HG1 THR 3 1HG THR 3 8.629 0.359 4.833 293 1HG2 THR 3 1HG2 THR 3 9.336 -1.320 6.281 294 2HG2 THR 3 2HG2 THR 3 8.422 -2.846 6.209 295 3HG2 THR 3 3HG2 THR 3 9.217 -2.215 4.747 296 H LYS 4 H LYS 4 4.410 -1.751 6.048 297 HA LYS 4 HA LYS 4 2.454 -1.082 4.183 298 1HB LYS 4 1HB LYS 4 2.711 -0.973 7.165 299 2HB LYS 4 2HB LYS 4 1.370 -0.131 6.415 300 1HG LYS 4 1HG LYS 4 0.269 -2.092 6.146 301 2HG LYS 4 2HG LYS 4 1.566 -2.696 5.134 302 1HD LYS 4 1HD LYS 4 2.069 -2.706 8.095 303 2HD LYS 4 2HD LYS 4 0.874 -3.844 7.505 304 1HE LYS 4 1HE LYS 4 3.645 -3.600 6.254 305 2HE LYS 4 2HE LYS 4 3.314 -4.683 7.591 306 1HZ LYS 4 1HZ LYS 4 2.986 -5.326 5.045 307 2HZ LYS 4 2HZ LYS 4 2.186 -6.055 6.268 308 3HZ LYS 4 3HZ LYS 4 1.461 -4.868 5.412 309 H ASP 5 H ASP 5 4.601 0.952 6.254 310 HA ASP 5 HA ASP 5 3.451 3.359 5.706 311 1HB ASP 5 1HB ASP 5 6.462 2.943 5.868 312 2HB ASP 5 2HB ASP 5 5.550 4.343 6.397 313 H GLN 6 H GLN 6 5.977 1.471 3.922 314 HA GLN 6 HA GLN 6 6.700 3.387 2.114 315 1HB GLN 6 1HB GLN 6 6.756 0.393 2.201 316 2HB GLN 6 2HB GLN 6 6.999 1.129 0.629 317 1HG GLN 6 1HG GLN 6 8.536 2.252 2.973 318 2HG GLN 6 2HG GLN 6 9.048 0.711 2.315 319 1HE2 GLN 6 1HE2 GLN 6 10.176 3.500 2.312 320 2HE2 GLN 6 2HE2 GLN 6 10.571 3.850 0.662 321 H ILE 7 H ILE 7 3.732 1.520 2.366 322 HA ILE 7 HA ILE 7 3.013 1.936 -0.393 323 HB ILE 7 HB ILE 7 1.533 0.759 1.960 324 1HG1 ILE 7 1HG1 ILE 7 3.600 -0.429 1.050 325 2HG1 ILE 7 2HG1 ILE 7 2.117 -1.358 1.149 326 1HG2 ILE 7 1HG2 ILE 7 -0.136 1.598 0.502 327 2HG2 ILE 7 2HG2 ILE 7 0.736 1.034 -0.943 328 3HG2 ILE 7 3HG2 ILE 7 -0.001 -0.145 0.168 329 1HD1 ILE 7 1HD1 ILE 7 1.672 -0.945 -1.261 330 2HD1 ILE 7 2HD1 ILE 7 3.163 0.021 -1.367 331 3HD1 ILE 7 3HD1 ILE 7 3.255 -1.723 -1.024 332 H ILE 8 H ILE 8 2.603 3.492 2.756 333 HA ILE 8 HA ILE 8 0.345 5.016 2.161 334 HB ILE 8 HB ILE 8 2.677 5.608 3.987 335 1HG1 ILE 8 1HG1 ILE 8 1.553 3.428 4.398 336 2HG1 ILE 8 2HG1 ILE 8 1.417 4.558 5.730 337 1HG2 ILE 8 1HG2 ILE 8 0.025 6.942 3.571 338 2HG2 ILE 8 2HG2 ILE 8 0.737 6.883 5.202 339 3HG2 ILE 8 3HG2 ILE 8 1.630 7.653 3.867 340 1HD1 ILE 8 1HD1 ILE 8 -0.740 3.349 5.144 341 2HD1 ILE 8 2HD1 ILE 8 -0.868 5.125 5.136 342 3HD1 ILE 8 3HD1 ILE 8 -0.741 4.235 3.599 343 H GLU 9 H GLU 9 3.846 5.507 1.501 344 HA GLU 9 HA GLU 9 3.436 8.121 0.523 345 1HB GLU 9 1HB GLU 9 5.745 6.151 0.396 346 2HB GLU 9 2HB GLU 9 5.827 7.699 -0.422 347 1HG GLU 9 1HG GLU 9 6.735 8.297 1.636 348 2HG GLU 9 2HG GLU 9 5.047 8.656 1.944 349 H ALA 10 H ALA 10 2.751 5.001 -0.715 350 HA ALA 10 HA ALA 10 3.340 5.545 -3.458 351 1HB ALA 10 1HB ALA 10 3.152 3.278 -2.137 352 2HB ALA 10 2HB ALA 10 1.414 3.434 -2.489 353 3HB ALA 10 3HB ALA 10 2.590 3.364 -3.824 354 H VAL 11 H VAL 11 0.466 5.681 -1.291 355 HA VAL 11 HA VAL 11 -1.266 6.389 -3.466 356 HB VAL 11 HB VAL 11 -1.516 6.076 -0.490 357 1HG1 VAL 11 1HG1 VAL 11 -3.524 7.358 -2.361 358 2HG1 VAL 11 2HG1 VAL 11 -3.984 6.608 -0.814 359 3HG1 VAL 11 3HG1 VAL 11 -2.871 7.996 -0.833 360 1HG2 VAL 11 1HG2 VAL 11 -3.291 4.439 -1.233 361 2HG2 VAL 11 2HG2 VAL 11 -2.753 4.725 -2.906 362 3HG2 VAL 11 3HG2 VAL 11 -1.628 4.027 -1.716 363 H ALA 12 H ALA 12 1.010 7.997 -1.406 364 HA ALA 12 HA ALA 12 -0.324 10.566 -1.740 365 1HB ALA 12 1HB ALA 12 2.092 11.011 -0.464 366 2HB ALA 12 2HB ALA 12 0.535 10.718 0.348 367 3HB ALA 12 3HB ALA 12 1.665 9.370 0.078 368 H ALA 13 H ALA 13 1.337 8.592 -3.726 369 HA ALA 13 HA ALA 13 3.129 10.680 -4.732 370 1HB ALA 13 1HB ALA 13 4.246 8.590 -4.322 371 2HB ALA 13 2HB ALA 13 2.968 7.673 -5.155 372 3HB ALA 13 3HB ALA 13 4.050 8.738 -6.085 373 H MET 14 H MET 14 0.133 8.928 -5.304 374 HA MET 14 HA MET 14 0.121 9.764 -8.072 375 1HB MET 14 1HB MET 14 -1.917 8.156 -6.431 376 2HB MET 14 2HB MET 14 -1.958 8.357 -8.172 377 1HG MET 14 1HG MET 14 0.564 7.384 -7.954 378 2HG MET 14 2HG MET 14 -0.102 6.680 -6.494 379 1HE MET 14 1HE MET 14 -0.323 4.446 -6.699 380 2HE MET 14 2HE MET 14 -0.967 3.482 -8.049 381 3HE MET 14 3HE MET 14 0.621 4.272 -8.198 382 H SER 15 H SER 15 -2.164 10.602 -8.872 383 HA SER 15 HA SER 15 -2.611 12.969 -7.367 384 1HB SER 15 1HB SER 15 -4.505 13.052 -9.337 385 2HB SER 15 2HB SER 15 -2.844 13.566 -9.556 386 HG SER 15 HG SER 15 -4.163 11.519 -10.778 387 H VAL 16 H VAL 16 -4.982 13.711 -6.949 388 HA VAL 16 HA VAL 16 -6.124 11.909 -5.153 389 HB VAL 16 HB VAL 16 -7.258 14.383 -6.472 390 1HG1 VAL 16 1HG1 VAL 16 -8.156 12.841 -4.018 391 2HG1 VAL 16 2HG1 VAL 16 -8.703 14.486 -4.421 392 3HG1 VAL 16 3HG1 VAL 16 -9.074 13.132 -5.515 393 1HG2 VAL 16 1HG2 VAL 16 -5.333 15.113 -5.378 394 2HG2 VAL 16 2HG2 VAL 16 -6.598 15.343 -4.147 395 3HG2 VAL 16 3HG2 VAL 16 -5.513 13.935 -4.056 396 H MET 17 H MET 17 -6.936 12.789 -8.556 397 HA MET 17 HA MET 17 -9.278 11.391 -8.743 398 1HB MET 17 1HB MET 17 -7.096 12.295 -10.614 399 2HB MET 17 2HB MET 17 -8.195 11.091 -11.257 400 1HG MET 17 1HG MET 17 -9.374 13.016 -11.824 401 2HG MET 17 2HG MET 17 -10.069 12.718 -10.243 402 1HE MET 17 1HE MET 17 -9.499 16.537 -11.061 403 2HE MET 17 2HE MET 17 -10.473 15.099 -11.451 404 3HE MET 17 3HE MET 17 -10.521 15.789 -9.811 405 H ASP 18 H ASP 18 -5.877 10.259 -9.221 406 HA ASP 18 HA ASP 18 -6.602 7.739 -10.141 407 1HB ASP 18 1HB ASP 18 -4.329 8.856 -10.338 408 2HB ASP 18 2HB ASP 18 -4.075 8.554 -8.631 409 H VAL 19 H VAL 19 -6.446 9.252 -6.962 410 HA VAL 19 HA VAL 19 -6.135 6.801 -5.506 411 HB VAL 19 HB VAL 19 -6.846 9.620 -4.671 412 1HG1 VAL 19 1HG1 VAL 19 -7.645 7.870 -3.075 413 2HG1 VAL 19 2HG1 VAL 19 -5.964 7.307 -2.914 414 3HG1 VAL 19 3HG1 VAL 19 -6.406 8.951 -2.394 415 1HG2 VAL 19 1HG2 VAL 19 -4.424 8.590 -5.606 416 2HG2 VAL 19 2HG2 VAL 19 -4.661 10.099 -4.692 417 3HG2 VAL 19 3HG2 VAL 19 -4.250 8.594 -3.835 418 H VAL 20 H VAL 20 -8.767 8.836 -6.752 419 HA VAL 20 HA VAL 20 -10.801 7.718 -5.148 420 HB VAL 20 HB VAL 20 -10.687 9.248 -7.733 421 1HG1 VAL 20 1HG1 VAL 20 -12.571 7.787 -8.054 422 2HG1 VAL 20 2HG1 VAL 20 -13.161 8.098 -6.404 423 3HG1 VAL 20 3HG1 VAL 20 -13.189 9.399 -7.619 424 1HG2 VAL 20 1HG2 VAL 20 -11.512 9.832 -4.888 425 2HG2 VAL 20 2HG2 VAL 20 -10.316 10.669 -5.906 426 3HG2 VAL 20 3HG2 VAL 20 -12.055 10.854 -6.240 427 H GLU 21 H GLU 21 -9.516 6.974 -8.450 428 HA GLU 21 HA GLU 21 -11.335 4.998 -9.031 429 1HB GLU 21 1HB GLU 21 -8.585 5.737 -9.970 430 2HB GLU 21 2HB GLU 21 -9.155 4.137 -10.399 431 1HG GLU 21 1HG GLU 21 -11.241 5.149 -11.363 432 2HG GLU 21 2HG GLU 21 -10.645 6.746 -10.957 433 H LEU 22 H LEU 22 -8.053 4.762 -7.499 434 HA LEU 22 HA LEU 22 -7.971 2.018 -7.263 435 1HB LEU 22 1HB LEU 22 -6.100 3.585 -6.921 436 2HB LEU 22 2HB LEU 22 -6.816 4.104 -5.408 437 HG LEU 22 HG LEU 22 -6.617 1.721 -4.591 438 1HD1 LEU 22 1HD1 LEU 22 -5.176 1.438 -7.223 439 2HD1 LEU 22 2HD1 LEU 22 -4.805 0.391 -5.833 440 3HD1 LEU 22 3HD1 LEU 22 -6.447 0.411 -6.518 441 1HD2 LEU 22 1HD2 LEU 22 -5.036 3.593 -4.036 442 2HD2 LEU 22 2HD2 LEU 22 -4.342 1.958 -3.925 443 3HD2 LEU 22 3HD2 LEU 22 -3.970 2.989 -5.327 444 H ILE 23 H ILE 23 -8.905 4.373 -4.650 445 HA ILE 23 HA ILE 23 -9.717 2.546 -2.813 446 HB ILE 23 HB ILE 23 -10.663 5.330 -3.439 447 1HG1 ILE 23 1HG1 ILE 23 -8.354 5.081 -2.667 448 2HG1 ILE 23 2HG1 ILE 23 -9.338 5.928 -1.491 449 1HG2 ILE 23 1HG2 ILE 23 -12.521 4.877 -2.269 450 2HG2 ILE 23 2HG2 ILE 23 -11.855 3.372 -1.591 451 3HG2 ILE 23 3HG2 ILE 23 -11.443 4.939 -0.855 452 1HD1 ILE 23 1HD1 ILE 23 -9.674 3.306 -0.677 453 2HD1 ILE 23 2HD1 ILE 23 -8.001 3.290 -1.283 454 3HD1 ILE 23 3HD1 ILE 23 -8.472 4.430 0.000 455 H SER 24 H SER 24 -11.652 3.955 -5.525 456 HA SER 24 HA SER 24 -14.032 2.787 -4.790 457 1HB SER 24 1HB SER 24 -12.877 3.927 -7.312 458 2HB SER 24 2HB SER 24 -14.317 2.943 -7.486 459 HG SER 24 HG SER 24 -14.342 4.901 -5.421 460 H ALA 25 H ALA 25 -11.249 1.564 -6.694 461 HA ALA 25 HA ALA 25 -12.480 -0.648 -7.837 462 1HB ALA 25 1HB ALA 25 -10.099 0.490 -8.112 463 2HB ALA 25 2HB ALA 25 -9.618 -0.738 -6.917 464 3HB ALA 25 3HB ALA 25 -10.328 -1.238 -8.471 465 H MET 26 H MET 26 -10.248 -0.668 -4.963 466 HA MET 26 HA MET 26 -10.784 -3.220 -4.221 467 1HB MET 26 1HB MET 26 -10.113 -0.734 -2.559 468 2HB MET 26 2HB MET 26 -10.093 -2.346 -1.874 469 1HG MET 26 1HG MET 26 -8.305 -3.059 -3.336 470 2HG MET 26 2HG MET 26 -8.494 -1.662 -4.377 471 1HE MET 26 1HE MET 26 -5.098 -0.696 -2.916 472 2HE MET 26 2HE MET 26 -5.627 -2.327 -3.395 473 3HE MET 26 3HE MET 26 -6.119 -0.914 -4.359 474 H GLU 27 H GLU 27 -12.632 -0.233 -3.502 475 HA GLU 27 HA GLU 27 -14.162 -1.142 -1.445 476 1HB GLU 27 1HB GLU 27 -14.480 0.915 -3.596 477 2HB GLU 27 2HB GLU 27 -15.941 0.463 -2.741 478 1HG GLU 27 1HG GLU 27 -13.531 0.966 -1.032 479 2HG GLU 27 2HG GLU 27 -14.199 2.368 -1.843 480 H GLU 28 H GLU 28 -14.618 -1.579 -4.997 481 HA GLU 28 HA GLU 28 -17.081 -2.956 -4.564 482 1HB GLU 28 1HB GLU 28 -16.338 -1.465 -6.604 483 2HB GLU 28 2HB GLU 28 -15.553 -2.922 -7.180 484 1HG GLU 28 1HG GLU 28 -18.045 -3.900 -6.467 485 2HG GLU 28 2HG GLU 28 -18.455 -2.281 -6.998 486 H LYS 29 H LYS 29 -13.696 -3.755 -5.552 487 HA LYS 29 HA LYS 29 -14.080 -6.407 -6.171 488 1HB LYS 29 1HB LYS 29 -12.033 -5.240 -6.688 489 2HB LYS 29 2HB LYS 29 -11.686 -4.973 -4.991 490 1HG LYS 29 1HG LYS 29 -10.347 -6.855 -5.574 491 2HG LYS 29 2HG LYS 29 -11.712 -7.547 -4.721 492 1HD LYS 29 1HD LYS 29 -12.315 -7.283 -7.575 493 2HD LYS 29 2HD LYS 29 -10.830 -8.184 -7.343 494 1HE LYS 29 1HE LYS 29 -11.921 -9.826 -5.945 495 2HE LYS 29 2HE LYS 29 -13.346 -8.826 -5.750 496 1HZ LYS 29 1HZ LYS 29 -13.646 -9.043 -8.188 497 2HZ LYS 29 2HZ LYS 29 -12.452 -10.156 -8.206 498 3HZ LYS 29 3HZ LYS 29 -13.821 -10.441 -7.363 499 H PHE 30 H PHE 30 -12.792 -5.158 -3.005 500 HA PHE 30 HA PHE 30 -13.298 -7.665 -1.769 501 1HB PHE 30 1HB PHE 30 -12.545 -4.827 -0.873 502 2HB PHE 30 2HB PHE 30 -12.713 -6.126 0.291 503 HD1 PHE 30 1HD PHE 30 -11.088 -7.938 0.378 504 HD2 PHE 30 2HD PHE 30 -10.676 -4.780 -2.426 505 HE1 PHE 30 1HE PHE 30 -8.709 -8.621 -0.041 506 HE2 PHE 30 2HE PHE 30 -8.297 -5.463 -2.845 507 HZ PHE 30 HZ PHE 30 -7.342 -7.375 -1.647 508 H GLY 31 H GLY 31 -15.373 -5.175 -2.709 509 1HA GLY 31 1HA GLY 31 -17.416 -4.479 -2.050 510 2HA GLY 31 2HA GLY 31 -17.659 -6.162 -1.626 511 H VAL 32 H VAL 32 -15.634 -3.478 -0.225 512 HA VAL 32 HA VAL 32 -16.746 -4.213 2.388 513 HB VAL 32 HB VAL 32 -14.313 -4.465 2.057 514 1HG1 VAL 32 1HG1 VAL 32 -13.199 -2.946 0.860 515 2HG1 VAL 32 2HG1 VAL 32 -14.584 -1.827 0.896 516 3HG1 VAL 32 3HG1 VAL 32 -13.389 -1.808 2.216 517 1HG2 VAL 32 1HG2 VAL 32 -15.397 -2.489 4.059 518 2HG2 VAL 32 2HG2 VAL 32 -14.886 -4.178 4.298 519 3HG2 VAL 32 3HG2 VAL 32 -13.667 -2.907 4.039 520 H SER 33 H SER 33 -18.594 -2.861 1.039 521 HA SER 33 HA SER 33 -18.134 -0.050 1.595 522 1HB SER 33 1HB SER 33 -18.928 -0.704 -0.685 523 2HB SER 33 2HB SER 33 -20.368 -1.409 0.021 524 HG SER 33 HG SER 33 -20.932 0.722 0.851 525 H ALA 34 H ALA 34 -18.320 -0.567 3.981 526 HA ALA 34 HA ALA 34 -19.448 -0.503 5.882 527 1HB ALA 34 1HB ALA 34 -21.226 0.776 3.926 528 2HB ALA 34 2HB ALA 34 -22.111 0.062 5.296 529 3HB ALA 34 3HB ALA 34 -20.828 1.260 5.593 530 H ALA 35 H ALA 35 -19.189 -2.711 6.379 531 HA ALA 35 HA ALA 35 -21.622 -4.184 6.471 532 1HB ALA 35 1HB ALA 35 -19.442 -4.972 4.514 533 2HB ALA 35 2HB ALA 35 -20.590 -6.157 5.181 534 3HB ALA 35 3HB ALA 35 -21.186 -4.787 4.213 535 H ALA 36 H ALA 36 -21.462 -4.707 8.600 536 HA ALA 36 HA ALA 36 -20.678 -5.558 10.485 537 1HB ALA 36 1HB ALA 36 -19.042 -7.061 8.438 538 2HB ALA 36 2HB ALA 36 -18.747 -7.303 10.177 539 3HB ALA 36 3HB ALA 36 -20.351 -7.652 9.489 540 H ALA 37 H ALA 37 -18.617 -5.683 11.947 541 HA ALA 37 HA ALA 37 -16.872 -4.671 12.857 542 1HB ALA 37 1HB ALA 37 -16.217 -4.896 10.101 543 2HB ALA 37 2HB ALA 37 -15.712 -3.267 10.612 544 3HB ALA 37 3HB ALA 37 -15.102 -4.700 11.475 Start of MODEL 11 1 1H SER 1 H SER 1 5.905 -1.951 -14.334 2 HA SER 1 HA SER 1 3.696 -1.922 -14.362 3 1HB SER 1 1HB SER 1 4.183 -4.514 -12.826 4 2HB SER 1 2HB SER 1 2.722 -4.136 -13.718 5 HG SER 1 HG SER 1 3.698 -4.596 -15.582 6 H ILE 2 H ILE 2 3.662 -0.010 -12.794 7 HA ILE 2 HA ILE 2 2.566 -0.810 -10.195 8 HB ILE 2 HB ILE 2 3.592 1.911 -10.980 9 1HG1 ILE 2 1HG1 ILE 2 5.146 -0.386 -9.753 10 2HG1 ILE 2 2HG1 ILE 2 5.398 0.307 -11.343 11 1HG2 ILE 2 1HG2 ILE 2 3.157 0.584 -8.289 12 2HG2 ILE 2 2HG2 ILE 2 3.809 2.218 -8.560 13 3HG2 ILE 2 3HG2 ILE 2 2.132 1.841 -9.024 14 1HD1 ILE 2 1HD1 ILE 2 5.980 1.514 -8.633 15 2HD1 ILE 2 2HD1 ILE 2 7.020 1.431 -10.075 16 3HD1 ILE 2 3HD1 ILE 2 5.667 2.586 -10.019 17 H THR 3 H THR 3 0.675 -1.380 -11.844 18 HA THR 3 HA THR 3 -0.872 1.003 -12.494 19 HB THR 3 HB THR 3 -2.316 -0.729 -13.648 20 HG1 THR 3 1HG THR 3 -1.415 -2.924 -13.518 21 1HG2 THR 3 1HG2 THR 3 0.609 -1.321 -14.278 22 2HG2 THR 3 2HG2 THR 3 -0.774 -1.299 -15.398 23 3HG2 THR 3 3HG2 THR 3 -0.138 0.227 -14.739 24 H LYS 4 H LYS 4 -3.174 1.144 -11.896 25 HA LYS 4 HA LYS 4 -3.486 1.037 -9.158 26 1HB LYS 4 1HB LYS 4 -5.332 1.392 -11.493 27 2HB LYS 4 2HB LYS 4 -6.024 1.170 -9.899 28 1HG LYS 4 1HG LYS 4 -4.700 3.072 -9.021 29 2HG LYS 4 2HG LYS 4 -3.899 3.261 -10.567 30 1HD LYS 4 1HD LYS 4 -6.921 3.494 -10.196 31 2HD LYS 4 2HD LYS 4 -5.834 4.868 -10.165 32 1HE LYS 4 1HE LYS 4 -6.038 4.975 -12.425 33 2HE LYS 4 2HE LYS 4 -5.105 3.494 -12.516 34 1HZ LYS 4 1HZ LYS 4 -7.374 2.411 -12.053 35 2HZ LYS 4 2HZ LYS 4 -7.993 3.824 -12.590 36 3HZ LYS 4 3HZ LYS 4 -7.031 2.932 -13.563 37 H ASP 5 H ASP 5 -4.516 -1.302 -11.711 38 HA ASP 5 HA ASP 5 -6.017 -2.908 -10.090 39 1HB ASP 5 1HB ASP 5 -4.361 -3.402 -12.582 40 2HB ASP 5 2HB ASP 5 -5.159 -4.752 -11.799 41 H GLN 6 H GLN 6 -2.481 -2.957 -10.897 42 HA GLN 6 HA GLN 6 -1.846 -5.345 -9.745 43 1HB GLN 6 1HB GLN 6 -0.336 -2.803 -10.318 44 2HB GLN 6 2HB GLN 6 0.458 -4.023 -9.342 45 1HG GLN 6 1HG GLN 6 -0.871 -4.732 -11.988 46 2HG GLN 6 2HG GLN 6 0.777 -4.137 -11.926 47 1HE2 GLN 6 1HE2 GLN 6 0.067 -6.642 -12.895 48 2HE2 GLN 6 2HE2 GLN 6 0.703 -7.887 -11.871 49 H ILE 7 H ILE 7 -2.677 -2.268 -8.247 50 HA ILE 7 HA ILE 7 -1.467 -2.933 -5.728 51 HB ILE 7 HB ILE 7 -3.321 -0.702 -6.565 52 1HG1 ILE 7 1HG1 ILE 7 -1.000 -0.870 -7.632 53 2HG1 ILE 7 2HG1 ILE 7 -1.443 0.648 -6.878 54 1HG2 ILE 7 1HG2 ILE 7 -1.934 -1.301 -3.958 55 2HG2 ILE 7 2HG2 ILE 7 -2.354 0.362 -4.433 56 3HG2 ILE 7 3HG2 ILE 7 -3.633 -0.864 -4.257 57 1HD1 ILE 7 1HD1 ILE 7 -0.113 0.198 -4.926 58 2HD1 ILE 7 2HD1 ILE 7 0.081 -1.515 -5.370 59 3HD1 ILE 7 3HD1 ILE 7 0.899 -0.251 -6.320 60 H ILE 8 H ILE 8 -4.594 -3.285 -7.367 61 HA ILE 8 HA ILE 8 -6.167 -3.667 -5.092 62 HB ILE 8 HB ILE 8 -6.503 -4.794 -7.874 63 1HG1 ILE 8 1HG1 ILE 8 -6.183 -2.374 -7.929 64 2HG1 ILE 8 2HG1 ILE 8 -7.830 -2.806 -8.344 65 1HG2 ILE 8 1HG2 ILE 8 -8.953 -4.677 -7.237 66 2HG2 ILE 8 2HG2 ILE 8 -7.992 -5.952 -6.451 67 3HG2 ILE 8 3HG2 ILE 8 -8.411 -4.474 -5.553 68 1HD1 ILE 8 1HD1 ILE 8 -6.911 -1.891 -5.578 69 2HD1 ILE 8 2HD1 ILE 8 -7.751 -0.875 -6.773 70 3HD1 ILE 8 3HD1 ILE 8 -8.586 -2.269 -6.048 71 H GLU 9 H GLU 9 -4.434 -6.031 -7.229 72 HA GLU 9 HA GLU 9 -5.214 -8.242 -5.740 73 1HB GLU 9 1HB GLU 9 -3.456 -9.438 -6.992 74 2HB GLU 9 2HB GLU 9 -4.368 -8.385 -8.056 75 1HG GLU 9 1HG GLU 9 -2.599 -6.685 -7.997 76 2HG GLU 9 2HG GLU 9 -1.725 -7.570 -6.762 77 H ALA 10 H ALA 10 -2.972 -5.696 -5.066 78 HA ALA 10 HA ALA 10 -1.146 -7.251 -3.513 79 1HB ALA 10 1HB ALA 10 0.020 -5.268 -3.312 80 2HB ALA 10 2HB ALA 10 -0.933 -4.904 -4.770 81 3HB ALA 10 3HB ALA 10 -1.458 -4.285 -3.186 82 H VAL 11 H VAL 11 -4.028 -5.172 -2.911 83 HA VAL 11 HA VAL 11 -3.807 -5.338 -0.092 84 HB VAL 11 HB VAL 11 -5.963 -4.526 -2.030 85 1HG1 VAL 11 1HG1 VAL 11 -7.266 -3.703 -0.084 86 2HG1 VAL 11 2HG1 VAL 11 -7.129 -5.477 -0.122 87 3HG1 VAL 11 3HG1 VAL 11 -6.125 -4.531 1.002 88 1HG2 VAL 11 1HG2 VAL 11 -3.984 -3.115 -0.261 89 2HG2 VAL 11 2HG2 VAL 11 -4.385 -2.831 -1.972 90 3HG2 VAL 11 3HG2 VAL 11 -5.513 -2.314 -0.695 91 H ALA 12 H ALA 12 -4.968 -7.466 -2.623 92 HA ALA 12 HA ALA 12 -6.558 -9.007 -0.738 93 1HB ALA 12 1HB ALA 12 -7.083 -8.406 -3.259 94 2HB ALA 12 2HB ALA 12 -6.024 -9.797 -3.595 95 3HB ALA 12 3HB ALA 12 -7.494 -10.013 -2.615 96 H ALA 13 H ALA 13 -3.337 -8.609 -1.279 97 HA ALA 13 HA ALA 13 -2.713 -11.463 -1.237 98 1HB ALA 13 1HB ALA 13 -1.520 -10.025 -2.852 99 2HB ALA 13 2HB ALA 13 -0.943 -9.000 -1.516 100 3HB ALA 13 3HB ALA 13 -0.402 -10.691 -1.638 101 H MET 14 H MET 14 -2.892 -8.544 0.745 102 HA MET 14 HA MET 14 -1.363 -9.833 2.832 103 1HB MET 14 1HB MET 14 -2.632 -7.056 2.536 104 2HB MET 14 2HB MET 14 -1.776 -7.558 3.981 105 1HG MET 14 1HG MET 14 0.227 -7.094 3.016 106 2HG MET 14 2HG MET 14 -0.123 -8.167 1.676 107 1HE MET 14 1HE MET 14 -0.961 -4.911 3.328 108 2HE MET 14 2HE MET 14 0.497 -4.348 2.476 109 3HE MET 14 3HE MET 14 -1.103 -3.715 2.017 110 H SER 15 H SER 15 -2.357 -9.387 5.184 111 HA SER 15 HA SER 15 -4.818 -10.809 5.148 112 1HB SER 15 1HB SER 15 -4.422 -10.205 7.786 113 2HB SER 15 2HB SER 15 -3.685 -11.573 6.975 114 HG SER 15 HG SER 15 -1.926 -10.582 7.825 115 H VAL 16 H VAL 16 -6.718 -10.060 6.566 116 HA VAL 16 HA VAL 16 -7.578 -7.543 5.694 117 HB VAL 16 HB VAL 16 -8.572 -9.452 7.812 118 1HG1 VAL 16 1HG1 VAL 16 -10.764 -8.137 7.490 119 2HG1 VAL 16 2HG1 VAL 16 -9.498 -7.407 8.506 120 3HG1 VAL 16 3HG1 VAL 16 -9.735 -6.840 6.835 121 1HG2 VAL 16 1HG2 VAL 16 -10.003 -10.324 6.199 122 2HG2 VAL 16 2HG2 VAL 16 -9.890 -8.879 5.166 123 3HG2 VAL 16 3HG2 VAL 16 -8.521 -10.013 5.263 124 H MET 17 H MET 17 -6.247 -8.729 8.837 125 HA MET 17 HA MET 17 -6.602 -6.368 10.216 126 1HB MET 17 1HB MET 17 -4.844 -8.811 10.411 127 2HB MET 17 2HB MET 17 -4.338 -7.428 11.362 128 1HG MET 17 1HG MET 17 -5.766 -8.574 12.855 129 2HG MET 17 2HG MET 17 -6.826 -7.345 12.194 130 1HE MET 17 1HE MET 17 -8.916 -8.787 12.964 131 2HE MET 17 2HE MET 17 -9.071 -7.872 11.445 132 3HE MET 17 3HE MET 17 -9.714 -9.528 11.556 133 H ASP 18 H ASP 18 -3.829 -7.542 8.210 134 HA ASP 18 HA ASP 18 -2.116 -5.481 8.830 135 1HB ASP 18 1HB ASP 18 -1.501 -7.585 7.620 136 2HB ASP 18 2HB ASP 18 -2.395 -7.038 6.216 137 H VAL 19 H VAL 19 -4.889 -5.756 6.615 138 HA VAL 19 HA VAL 19 -4.210 -3.434 5.085 139 HB VAL 19 HB VAL 19 -6.591 -5.267 5.282 140 1HG1 VAL 19 1HG1 VAL 19 -6.329 -2.695 3.707 141 2HG1 VAL 19 2HG1 VAL 19 -7.454 -3.995 3.247 142 3HG1 VAL 19 3HG1 VAL 19 -7.626 -3.184 4.822 143 1HG2 VAL 19 1HG2 VAL 19 -4.867 -4.687 2.868 144 2HG2 VAL 19 2HG2 VAL 19 -4.395 -5.891 4.091 145 3HG2 VAL 19 3HG2 VAL 19 -5.915 -6.091 3.186 146 H VAL 20 H VAL 20 -6.193 -4.246 7.949 147 HA VAL 20 HA VAL 20 -7.625 -1.866 8.102 148 HB VAL 20 HB VAL 20 -6.696 -3.913 10.101 149 1HG1 VAL 20 1HG1 VAL 20 -6.782 -1.951 11.438 150 2HG1 VAL 20 2HG1 VAL 20 -8.262 -1.375 10.634 151 3HG1 VAL 20 3HG1 VAL 20 -8.326 -2.796 11.704 152 1HG2 VAL 20 1HG2 VAL 20 -9.565 -3.301 9.554 153 2HG2 VAL 20 2HG2 VAL 20 -8.637 -4.100 8.263 154 3HG2 VAL 20 3HG2 VAL 20 -8.762 -4.858 9.869 155 H GLU 21 H GLU 21 -4.385 -2.802 9.413 156 HA GLU 21 HA GLU 21 -3.931 -0.428 10.741 157 1HB GLU 21 1HB GLU 21 -2.123 -2.553 9.559 158 2HB GLU 21 2HB GLU 21 -1.430 -1.121 10.295 159 1HG GLU 21 1HG GLU 21 -3.455 -2.916 11.709 160 2HG GLU 21 2HG GLU 21 -1.721 -3.116 11.865 161 H LEU 22 H LEU 22 -3.248 -1.428 7.340 162 HA LEU 22 HA LEU 22 -1.832 0.820 6.564 163 1HB LEU 22 1HB LEU 22 -2.016 -1.256 5.286 164 2HB LEU 22 2HB LEU 22 -3.708 -0.931 4.969 165 HG LEU 22 HG LEU 22 -1.941 1.263 4.138 166 1HD1 LEU 22 1HD1 LEU 22 -1.109 0.032 2.117 167 2HD1 LEU 22 2HD1 LEU 22 -0.341 -0.437 3.652 168 3HD1 LEU 22 3HD1 LEU 22 -1.581 -1.484 2.921 169 1HD2 LEU 22 1HD2 LEU 22 -3.282 1.075 2.070 170 2HD2 LEU 22 2HD2 LEU 22 -4.076 -0.371 2.739 171 3HD2 LEU 22 3HD2 LEU 22 -4.283 1.207 3.536 172 H ILE 23 H ILE 23 -5.366 0.175 5.977 173 HA ILE 23 HA ILE 23 -6.007 2.640 5.030 174 HB ILE 23 HB ILE 23 -7.559 0.623 6.628 175 1HG1 ILE 23 1HG1 ILE 23 -6.875 -0.060 4.397 176 2HG1 ILE 23 2HG1 ILE 23 -8.612 0.159 4.470 177 1HG2 ILE 23 1HG2 ILE 23 -8.752 2.540 7.197 178 2HG2 ILE 23 2HG2 ILE 23 -8.467 3.309 5.617 179 3HG2 ILE 23 3HG2 ILE 23 -9.595 1.939 5.749 180 1HD1 ILE 23 1HD1 ILE 23 -8.269 1.390 2.564 181 2HD1 ILE 23 2HD1 ILE 23 -7.857 2.682 3.716 182 3HD1 ILE 23 3HD1 ILE 23 -6.565 1.716 2.963 183 H SER 24 H SER 24 -5.636 1.589 8.450 184 HA SER 24 HA SER 24 -6.698 3.920 9.532 185 1HB SER 24 1HB SER 24 -5.015 1.636 10.521 186 2HB SER 24 2HB SER 24 -5.062 3.077 11.518 187 HG SER 24 HG SER 24 -6.751 1.405 11.959 188 H ALA 25 H ALA 25 -3.400 2.946 8.494 189 HA ALA 25 HA ALA 25 -1.979 5.042 9.636 190 1HB ALA 25 1HB ALA 25 -1.237 2.861 8.391 191 2HB ALA 25 2HB ALA 25 -1.320 3.873 6.929 192 3HB ALA 25 3HB ALA 25 -0.225 4.319 8.259 193 H MET 26 H MET 26 -3.106 4.755 6.185 194 HA MET 26 HA MET 26 -2.471 7.276 5.444 195 1HB MET 26 1HB MET 26 -4.796 5.454 4.632 196 2HB MET 26 2HB MET 26 -4.443 6.940 3.772 197 1HG MET 26 1HG MET 26 -2.225 6.142 3.137 198 2HG MET 26 2HG MET 26 -2.350 4.759 4.206 199 1HE MET 26 1HE MET 26 -1.821 3.010 2.384 200 2HE MET 26 2HE MET 26 -2.560 3.000 0.765 201 3HE MET 26 3HE MET 26 -1.527 4.360 1.263 202 H GLU 27 H GLU 27 -5.438 6.126 7.127 203 HA GLU 27 HA GLU 27 -6.997 8.322 6.851 204 1HB GLU 27 1HB GLU 27 -6.727 6.129 8.848 205 2HB GLU 27 2HB GLU 27 -7.572 7.549 9.432 206 1HG GLU 27 1HG GLU 27 -8.990 7.438 7.279 207 2HG GLU 27 2HG GLU 27 -8.270 5.868 6.986 208 H GLU 28 H GLU 28 -4.318 7.744 9.196 209 HA GLU 28 HA GLU 28 -4.818 10.223 10.501 210 1HB GLU 28 1HB GLU 28 -3.938 8.310 11.764 211 2HB GLU 28 2HB GLU 28 -2.532 8.218 10.723 212 1HG GLU 28 1HG GLU 28 -1.598 10.227 11.578 213 2HG GLU 28 2HG GLU 28 -3.138 10.805 12.181 214 H LYS 29 H LYS 29 -2.395 8.884 8.180 215 HA LYS 29 HA LYS 29 -0.679 11.056 8.163 216 1HB LYS 29 1HB LYS 29 -0.062 8.923 7.221 217 2HB LYS 29 2HB LYS 29 -1.343 9.011 6.029 218 1HG LYS 29 1HG LYS 29 0.402 9.800 4.725 219 2HG LYS 29 2HG LYS 29 -0.138 11.327 5.395 220 1HD LYS 29 1HD LYS 29 1.571 11.165 7.197 221 2HD LYS 29 2HD LYS 29 2.090 9.607 6.585 222 1HE LYS 29 1HE LYS 29 2.895 10.587 4.511 223 2HE LYS 29 2HE LYS 29 2.126 12.123 4.861 224 1HZ LYS 29 1HZ LYS 29 4.504 10.967 6.066 225 2HZ LYS 29 2HZ LYS 29 4.251 12.489 5.530 226 3HZ LYS 29 3HZ LYS 29 3.608 12.007 6.951 227 H PHE 30 H PHE 30 -3.217 10.288 5.671 228 HA PHE 30 HA PHE 30 -3.073 12.931 4.645 229 1HB PHE 30 1HB PHE 30 -4.948 10.516 4.352 230 2HB PHE 30 2HB PHE 30 -5.199 11.982 3.425 231 HD1 PHE 30 1HD PHE 30 -3.185 8.983 3.793 232 HD2 PHE 30 2HD PHE 30 -3.567 12.656 1.702 233 HE1 PHE 30 1HE PHE 30 -1.586 8.154 2.046 234 HE2 PHE 30 2HE PHE 30 -1.967 11.826 -0.046 235 HZ PHE 30 HZ PHE 30 -0.996 9.586 0.147 236 H GLY 31 H GLY 31 -4.344 11.803 7.518 237 1HA GLY 31 1HA GLY 31 -5.977 12.484 8.920 238 2HA GLY 31 2HA GLY 31 -5.590 14.079 8.307 239 H VAL 32 H VAL 32 -7.229 11.160 6.873 240 HA VAL 32 HA VAL 32 -9.500 12.929 6.277 241 HB VAL 32 HB VAL 32 -8.139 12.320 4.299 242 1HG1 VAL 32 1HG1 VAL 32 -8.092 9.767 5.496 243 2HG1 VAL 32 2HG1 VAL 32 -9.057 9.592 4.011 244 3HG1 VAL 32 3HG1 VAL 32 -7.403 10.246 3.926 245 1HG2 VAL 32 1HG2 VAL 32 -10.085 11.385 2.954 246 2HG2 VAL 32 2HG2 VAL 32 -10.981 11.289 4.489 247 3HG2 VAL 32 3HG2 VAL 32 -10.415 12.865 3.886 248 H SER 33 H SER 33 -9.785 12.017 8.679 249 HA SER 33 HA SER 33 -11.016 9.392 8.481 250 1HB SER 33 1HB SER 33 -10.944 9.474 11.014 251 2HB SER 33 2HB SER 33 -9.373 9.484 10.237 252 HG SER 33 HG SER 33 -10.703 11.938 10.967 253 H ALA 34 H ALA 34 -13.238 9.186 8.622 254 HA ALA 34 HA ALA 34 -15.372 9.734 8.813 255 1HB ALA 34 1HB ALA 34 -14.107 10.770 11.133 256 2HB ALA 34 2HB ALA 34 -15.250 12.020 10.584 257 3HB ALA 34 3HB ALA 34 -15.828 10.370 10.919 258 H ALA 35 H ALA 35 -15.615 10.419 6.650 259 HA ALA 35 HA ALA 35 -16.245 13.188 6.375 260 1HB ALA 35 1HB ALA 35 -13.967 12.100 4.679 261 2HB ALA 35 2HB ALA 35 -14.611 13.759 4.699 262 3HB ALA 35 3HB ALA 35 -13.727 13.131 6.110 263 H ALA 36 H ALA 36 -18.302 12.578 5.720 264 HA ALA 36 HA ALA 36 -19.071 10.465 4.246 265 1HB ALA 36 1HB ALA 36 -20.186 13.228 3.707 266 2HB ALA 36 2HB ALA 36 -21.049 11.674 3.814 267 3HB ALA 36 3HB ALA 36 -20.403 12.436 5.287 268 H ALA 37 H ALA 37 -19.389 9.988 1.997 269 HA ALA 37 HA ALA 37 -18.511 11.735 -0.031 270 1HB ALA 37 1HB ALA 37 -16.549 9.764 1.112 271 2HB ALA 37 2HB ALA 37 -16.559 10.039 -0.647 272 3HB ALA 37 3HB ALA 37 -16.272 11.399 0.465 273 1H SER 1 H SER 1 11.004 -3.398 -0.317 274 HA SER 1 HA SER 1 10.910 -2.802 2.502 275 1HB SER 1 1HB SER 1 12.279 -1.002 1.224 276 2HB SER 1 2HB SER 1 10.762 -0.535 0.482 277 HG SER 1 HG SER 1 11.065 -0.728 3.348 278 H ILE 2 H ILE 2 9.054 -4.348 2.099 279 HA ILE 2 HA ILE 2 6.837 -3.065 0.681 280 HB ILE 2 HB ILE 2 7.039 -5.928 1.601 281 1HG1 ILE 2 1HG1 ILE 2 7.879 -4.730 -1.054 282 2HG1 ILE 2 2HG1 ILE 2 8.924 -5.494 0.127 283 1HG2 ILE 2 1HG2 ILE 2 4.795 -4.790 1.015 284 2HG2 ILE 2 2HG2 ILE 2 5.376 -4.853 -0.666 285 3HG2 ILE 2 3HG2 ILE 2 5.183 -6.358 0.266 286 1HD1 ILE 2 1HD1 ILE 2 6.709 -6.813 -1.499 287 2HD1 ILE 2 2HD1 ILE 2 8.456 -7.148 -1.568 288 3HD1 ILE 2 3HD1 ILE 2 7.516 -7.614 -0.130 289 H THR 3 H THR 3 7.071 -1.596 2.775 290 HA THR 3 HA THR 3 5.582 -2.854 4.973 291 HB THR 3 HB THR 3 6.489 -0.855 6.249 292 HG1 THR 3 1HG THR 3 8.288 -0.465 4.053 293 1HG2 THR 3 1HG2 THR 3 8.529 -2.519 4.684 294 2HG2 THR 3 2HG2 THR 3 8.952 -1.455 6.047 295 3HG2 THR 3 3HG2 THR 3 7.903 -2.868 6.314 296 H LYS 4 H LYS 4 3.888 -1.571 6.049 297 HA LYS 4 HA LYS 4 1.976 -0.766 4.209 298 1HB LYS 4 1HB LYS 4 2.284 -0.646 7.180 299 2HB LYS 4 2HB LYS 4 1.017 0.318 6.450 300 1HG LYS 4 1HG LYS 4 -0.204 -1.618 6.588 301 2HG LYS 4 2HG LYS 4 0.629 -2.032 5.103 302 1HD LYS 4 1HD LYS 4 1.259 -3.906 6.266 303 2HD LYS 4 2HD LYS 4 2.505 -2.858 6.913 304 1HE LYS 4 1HE LYS 4 1.080 -2.320 8.873 305 2HE LYS 4 2HE LYS 4 -0.230 -3.279 8.212 306 1HZ LYS 4 1HZ LYS 4 1.338 -5.181 8.266 307 2HZ LYS 4 2HZ LYS 4 2.391 -4.252 9.101 308 3HZ LYS 4 3HZ LYS 4 0.930 -4.605 9.739 309 H ASP 5 H ASP 5 4.325 1.131 6.181 310 HA ASP 5 HA ASP 5 3.291 3.603 5.647 311 1HB ASP 5 1HB ASP 5 6.071 2.558 6.238 312 2HB ASP 5 2HB ASP 5 5.873 4.254 5.846 313 H GLN 6 H GLN 6 5.644 1.538 3.835 314 HA GLN 6 HA GLN 6 6.487 3.410 2.022 315 1HB GLN 6 1HB GLN 6 6.342 0.414 2.100 316 2HB GLN 6 2HB GLN 6 6.652 1.148 0.539 317 1HG GLN 6 1HG GLN 6 8.239 1.907 3.029 318 2HG GLN 6 2HG GLN 6 8.716 0.579 1.990 319 1HE2 GLN 6 1HE2 GLN 6 8.925 1.058 -0.344 320 2HE2 GLN 6 2HE2 GLN 6 9.592 2.580 -0.832 321 H ILE 7 H ILE 7 3.419 1.705 2.291 322 HA ILE 7 HA ILE 7 2.700 2.125 -0.457 323 HB ILE 7 HB ILE 7 1.099 1.189 1.927 324 1HG1 ILE 7 1HG1 ILE 7 3.118 -0.194 1.188 325 2HG1 ILE 7 2HG1 ILE 7 1.573 -1.014 1.305 326 1HG2 ILE 7 1HG2 ILE 7 -0.538 1.895 0.459 327 2HG2 ILE 7 2HG2 ILE 7 0.427 1.499 -0.983 328 3HG2 ILE 7 3HG2 ILE 7 -0.315 0.197 -0.024 329 1HD1 ILE 7 1HD1 ILE 7 1.317 -1.181 -1.021 330 2HD1 ILE 7 2HD1 ILE 7 2.368 0.221 -1.338 331 3HD1 ILE 7 3HD1 ILE 7 3.082 -1.334 -0.848 332 H ILE 8 H ILE 8 2.351 3.766 2.676 333 HA ILE 8 HA ILE 8 0.251 5.462 2.006 334 HB ILE 8 HB ILE 8 2.592 5.859 3.872 335 1HG1 ILE 8 1HG1 ILE 8 -0.201 4.774 4.336 336 2HG1 ILE 8 2HG1 ILE 8 1.294 3.862 4.390 337 1HG2 ILE 8 1HG2 ILE 8 0.817 7.803 2.999 338 2HG2 ILE 8 2HG2 ILE 8 0.120 7.252 4.541 339 3HG2 ILE 8 3HG2 ILE 8 1.797 7.847 4.485 340 1HD1 ILE 8 1HD1 ILE 8 0.154 5.760 6.390 341 2HD1 ILE 8 2HD1 ILE 8 1.170 4.319 6.637 342 3HD1 ILE 8 3HD1 ILE 8 1.915 5.861 6.152 343 H GLU 9 H GLU 9 3.827 5.807 1.574 344 HA GLU 9 HA GLU 9 3.644 8.382 0.527 345 1HB GLU 9 1HB GLU 9 5.787 6.232 0.251 346 2HB GLU 9 2HB GLU 9 5.994 7.876 -0.321 347 1HG GLU 9 1HG GLU 9 5.377 8.632 2.082 348 2HG GLU 9 2HG GLU 9 5.562 6.954 2.551 349 H ALA 10 H ALA 10 2.840 5.276 -0.779 350 HA ALA 10 HA ALA 10 3.372 5.921 -3.513 351 1HB ALA 10 1HB ALA 10 2.869 3.621 -2.023 352 2HB ALA 10 2HB ALA 10 1.386 3.825 -2.985 353 3HB ALA 10 3HB ALA 10 2.967 3.719 -3.797 354 H VAL 11 H VAL 11 0.484 5.848 -1.334 355 HA VAL 11 HA VAL 11 -1.338 6.592 -3.341 356 HB VAL 11 HB VAL 11 -1.331 6.658 -0.331 357 1HG1 VAL 11 1HG1 VAL 11 -2.738 8.509 -0.916 358 2HG1 VAL 11 2HG1 VAL 11 -3.536 7.573 -2.203 359 3HG1 VAL 11 3HG1 VAL 11 -3.798 7.142 -0.495 360 1HG2 VAL 11 1HG2 VAL 11 -3.118 4.909 -0.694 361 2HG2 VAL 11 2HG2 VAL 11 -2.706 4.951 -2.425 362 3HG2 VAL 11 3HG2 VAL 11 -1.484 4.450 -1.232 363 H ALA 12 H ALA 12 1.137 8.324 -1.611 364 HA ALA 12 HA ALA 12 -0.173 10.883 -2.094 365 1HB ALA 12 1HB ALA 12 1.285 11.752 -0.505 366 2HB ALA 12 2HB ALA 12 1.108 10.079 0.076 367 3HB ALA 12 3HB ALA 12 2.551 10.551 -0.854 368 H ALA 13 H ALA 13 1.422 8.701 -3.941 369 HA ALA 13 HA ALA 13 3.234 10.638 -5.168 370 1HB ALA 13 1HB ALA 13 4.247 8.720 -6.227 371 2HB ALA 13 2HB ALA 13 4.013 8.325 -4.507 372 3HB ALA 13 3HB ALA 13 2.900 7.667 -5.731 373 H MET 14 H MET 14 0.160 8.944 -5.563 374 HA MET 14 HA MET 14 0.104 9.714 -8.360 375 1HB MET 14 1HB MET 14 -1.789 7.976 -6.678 376 2HB MET 14 2HB MET 14 -1.936 8.216 -8.408 377 1HG MET 14 1HG MET 14 -0.394 6.599 -8.826 378 2HG MET 14 2HG MET 14 0.786 7.389 -7.799 379 1HE MET 14 1HE MET 14 -0.644 3.714 -7.820 380 2HE MET 14 2HE MET 14 0.759 4.680 -8.337 381 3HE MET 14 3HE MET 14 0.824 3.758 -6.815 382 H SER 15 H SER 15 -2.277 10.382 -9.113 383 HA SER 15 HA SER 15 -2.795 12.763 -7.660 384 1HB SER 15 1HB SER 15 -4.782 12.672 -9.537 385 2HB SER 15 2HB SER 15 -3.165 13.268 -9.855 386 HG SER 15 HG SER 15 -2.748 11.566 -11.102 387 H VAL 16 H VAL 16 -5.105 13.397 -7.031 388 HA VAL 16 HA VAL 16 -6.143 11.603 -5.206 389 HB VAL 16 HB VAL 16 -7.419 13.959 -6.608 390 1HG1 VAL 16 1HG1 VAL 16 -8.293 12.360 -4.190 391 2HG1 VAL 16 2HG1 VAL 16 -8.849 14.023 -4.497 392 3HG1 VAL 16 3HG1 VAL 16 -9.216 12.732 -5.666 393 1HG2 VAL 16 1HG2 VAL 16 -5.611 14.882 -5.509 394 2HG2 VAL 16 2HG2 VAL 16 -6.851 14.954 -4.234 395 3HG2 VAL 16 3HG2 VAL 16 -5.630 13.659 -4.215 396 H MET 17 H MET 17 -7.095 12.298 -8.620 397 HA MET 17 HA MET 17 -9.367 10.761 -8.645 398 1HB MET 17 1HB MET 17 -7.348 11.743 -10.667 399 2HB MET 17 2HB MET 17 -8.455 10.500 -11.215 400 1HG MET 17 1HG MET 17 -10.389 11.929 -10.410 401 2HG MET 17 2HG MET 17 -9.245 13.188 -9.990 402 1HE MET 17 1HE MET 17 -11.276 14.047 -11.351 403 2HE MET 17 2HE MET 17 -10.877 14.723 -12.949 404 3HE MET 17 3HE MET 17 -11.751 13.177 -12.830 405 H ASP 18 H ASP 18 -5.936 9.848 -9.351 406 HA ASP 18 HA ASP 18 -6.431 7.304 -10.221 407 1HB ASP 18 1HB ASP 18 -4.224 8.446 -10.324 408 2HB ASP 18 2HB ASP 18 -4.085 8.367 -8.578 409 H VAL 19 H VAL 19 -6.368 8.745 -6.962 410 HA VAL 19 HA VAL 19 -6.161 6.218 -5.615 411 HB VAL 19 HB VAL 19 -6.661 9.057 -4.711 412 1HG1 VAL 19 1HG1 VAL 19 -7.759 7.642 -3.108 413 2HG1 VAL 19 2HG1 VAL 19 -6.372 6.527 -3.060 414 3HG1 VAL 19 3HG1 VAL 19 -6.214 8.174 -2.403 415 1HG2 VAL 19 1HG2 VAL 19 -4.396 8.470 -5.626 416 2HG2 VAL 19 2HG2 VAL 19 -4.389 9.017 -3.932 417 3HG2 VAL 19 3HG2 VAL 19 -4.231 7.285 -4.308 418 H VAL 20 H VAL 20 -8.693 8.465 -6.721 419 HA VAL 20 HA VAL 20 -10.778 7.399 -5.171 420 HB VAL 20 HB VAL 20 -10.641 8.918 -7.772 421 1HG1 VAL 20 1HG1 VAL 20 -13.114 9.309 -7.446 422 2HG1 VAL 20 2HG1 VAL 20 -12.668 7.661 -7.951 423 3HG1 VAL 20 3HG1 VAL 20 -13.096 7.986 -6.254 424 1HG2 VAL 20 1HG2 VAL 20 -10.152 9.799 -5.272 425 2HG2 VAL 20 2HG2 VAL 20 -10.889 10.811 -6.537 426 3HG2 VAL 20 3HG2 VAL 20 -11.918 10.018 -5.320 427 H GLU 21 H GLU 21 -9.568 6.672 -8.508 428 HA GLU 21 HA GLU 21 -11.463 4.716 -9.020 429 1HB GLU 21 1HB GLU 21 -8.718 5.352 -10.125 430 2HB GLU 21 2HB GLU 21 -9.550 3.904 -10.656 431 1HG GLU 21 1HG GLU 21 -11.504 5.250 -11.376 432 2HG GLU 21 2HG GLU 21 -10.752 6.711 -10.765 433 H LEU 22 H LEU 22 -8.189 4.591 -7.514 434 HA LEU 22 HA LEU 22 -7.922 1.841 -7.399 435 1HB LEU 22 1HB LEU 22 -6.193 3.582 -6.945 436 2HB LEU 22 2HB LEU 22 -6.945 3.872 -5.388 437 HG LEU 22 HG LEU 22 -6.454 1.066 -5.596 438 1HD1 LEU 22 1HD1 LEU 22 -4.189 2.804 -6.554 439 2HD1 LEU 22 2HD1 LEU 22 -3.885 1.279 -5.689 440 3HD1 LEU 22 3HD1 LEU 22 -4.795 1.268 -7.218 441 1HD2 LEU 22 1HD2 LEU 22 -5.114 3.213 -3.927 442 2HD2 LEU 22 2HD2 LEU 22 -6.612 2.341 -3.518 443 3HD2 LEU 22 3HD2 LEU 22 -5.068 1.461 -3.618 444 H ILE 23 H ILE 23 -9.121 4.059 -4.774 445 HA ILE 23 HA ILE 23 -9.884 2.057 -3.046 446 HB ILE 23 HB ILE 23 -10.849 4.875 -3.468 447 1HG1 ILE 23 1HG1 ILE 23 -8.541 4.614 -2.712 448 2HG1 ILE 23 2HG1 ILE 23 -9.540 5.336 -1.467 449 1HG2 ILE 23 1HG2 ILE 23 -11.706 4.429 -0.994 450 2HG2 ILE 23 2HG2 ILE 23 -12.733 4.142 -2.419 451 3HG2 ILE 23 3HG2 ILE 23 -11.905 2.778 -1.629 452 1HD1 ILE 23 1HD1 ILE 23 -8.491 3.732 -0.174 453 2HD1 ILE 23 2HD1 ILE 23 -9.853 2.744 -0.755 454 3HD1 ILE 23 3HD1 ILE 23 -8.265 2.623 -1.548 455 H SER 24 H SER 24 -11.769 3.673 -5.678 456 HA SER 24 HA SER 24 -14.178 2.537 -5.092 457 1HB SER 24 1HB SER 24 -12.890 3.621 -7.585 458 2HB SER 24 2HB SER 24 -14.397 2.745 -7.771 459 HG SER 24 HG SER 24 -15.013 4.863 -7.438 460 H ALA 25 H ALA 25 -11.389 1.255 -6.962 461 HA ALA 25 HA ALA 25 -12.677 -0.923 -8.120 462 1HB ALA 25 1HB ALA 25 -10.378 -1.801 -8.382 463 2HB ALA 25 2HB ALA 25 -10.465 -0.071 -8.793 464 3HB ALA 25 3HB ALA 25 -9.784 -0.581 -7.229 465 H MET 26 H MET 26 -10.683 -0.744 -5.081 466 HA MET 26 HA MET 26 -11.039 -3.337 -4.330 467 1HB MET 26 1HB MET 26 -10.734 -0.746 -2.729 468 2HB MET 26 2HB MET 26 -10.719 -2.312 -1.941 469 1HG MET 26 1HG MET 26 -8.790 -3.020 -3.368 470 2HG MET 26 2HG MET 26 -8.811 -1.465 -4.176 471 1HE MET 26 1HE MET 26 -6.127 -1.986 -3.206 472 2HE MET 26 2HE MET 26 -6.665 -0.353 -3.667 473 3HE MET 26 3HE MET 26 -5.742 -0.595 -2.165 474 H GLU 27 H GLU 27 -13.126 -0.465 -3.650 475 HA GLU 27 HA GLU 27 -14.784 -1.521 -1.815 476 1HB GLU 27 1HB GLU 27 -15.119 0.497 -4.015 477 2HB GLU 27 2HB GLU 27 -16.571 -0.040 -3.195 478 1HG GLU 27 1HG GLU 27 -14.136 0.846 -1.607 479 2HG GLU 27 2HG GLU 27 -15.271 2.026 -2.231 480 H GLU 28 H GLU 28 -14.947 -1.917 -5.404 481 HA GLU 28 HA GLU 28 -17.328 -3.462 -5.185 482 1HB GLU 28 1HB GLU 28 -16.639 -1.918 -7.137 483 2HB GLU 28 2HB GLU 28 -15.541 -3.190 -7.632 484 1HG GLU 28 1HG GLU 28 -18.031 -4.485 -7.137 485 2HG GLU 28 2HG GLU 28 -18.432 -3.014 -8.001 486 H LYS 29 H LYS 29 -13.843 -4.060 -5.974 487 HA LYS 29 HA LYS 29 -14.023 -6.710 -6.637 488 1HB LYS 29 1HB LYS 29 -12.009 -5.425 -6.966 489 2HB LYS 29 2HB LYS 29 -11.814 -5.176 -5.242 490 1HG LYS 29 1HG LYS 29 -10.394 -6.988 -5.489 491 2HG LYS 29 2HG LYS 29 -11.882 -7.865 -5.193 492 1HD LYS 29 1HD LYS 29 -12.253 -7.980 -7.701 493 2HD LYS 29 2HD LYS 29 -10.690 -7.222 -7.932 494 1HE LYS 29 1HE LYS 29 -9.609 -9.114 -6.668 495 2HE LYS 29 2HE LYS 29 -11.177 -9.879 -6.500 496 1HZ LYS 29 1HZ LYS 29 -11.327 -9.979 -8.890 497 2HZ LYS 29 2HZ LYS 29 -9.879 -9.244 -9.059 498 3HZ LYS 29 3HZ LYS 29 -9.967 -10.727 -8.383 499 H PHE 30 H PHE 30 -13.130 -5.434 -3.348 500 HA PHE 30 HA PHE 30 -13.547 -7.996 -2.193 501 1HB PHE 30 1HB PHE 30 -13.162 -5.126 -1.161 502 2HB PHE 30 2HB PHE 30 -13.259 -6.494 -0.070 503 HD1 PHE 30 1HD PHE 30 -11.469 -8.195 -0.052 504 HD2 PHE 30 2HD PHE 30 -11.181 -4.705 -2.449 505 HE1 PHE 30 1HE PHE 30 -9.002 -8.580 -0.316 506 HE2 PHE 30 2HE PHE 30 -8.714 -5.090 -2.713 507 HZ PHE 30 HZ PHE 30 -7.655 -7.023 -1.644 508 H GLY 31 H GLY 31 -15.683 -5.547 -3.229 509 1HA GLY 31 1HA GLY 31 -17.829 -5.032 -2.741 510 2HA GLY 31 2HA GLY 31 -17.997 -6.767 -2.566 511 H VAL 32 H VAL 32 -16.321 -4.225 -0.571 512 HA VAL 32 HA VAL 32 -18.068 -5.034 1.649 513 HB VAL 32 HB VAL 32 -15.113 -4.397 1.678 514 1HG1 VAL 32 1HG1 VAL 32 -17.143 -4.558 3.892 515 2HG1 VAL 32 2HG1 VAL 32 -15.465 -5.072 4.187 516 3HG1 VAL 32 3HG1 VAL 32 -15.806 -3.407 3.657 517 1HG2 VAL 32 1HG2 VAL 32 -14.884 -6.602 1.400 518 2HG2 VAL 32 2HG2 VAL 32 -15.629 -6.816 3.002 519 3HG2 VAL 32 3HG2 VAL 32 -16.639 -6.864 1.538 520 H SER 33 H SER 33 -19.328 -3.209 0.472 521 HA SER 33 HA SER 33 -18.217 -0.613 0.994 522 1HB SER 33 1HB SER 33 -19.462 -1.043 -1.108 523 2HB SER 33 2HB SER 33 -20.896 -1.464 -0.193 524 HG SER 33 HG SER 33 -21.196 0.675 -0.737 525 H ALA 34 H ALA 34 -18.133 -0.726 3.357 526 HA ALA 34 HA ALA 34 -20.362 0.356 4.615 527 1HB ALA 34 1HB ALA 34 -20.710 -1.746 6.162 528 2HB ALA 34 2HB ALA 34 -21.557 -1.648 4.599 529 3HB ALA 34 3HB ALA 34 -20.090 -2.644 4.756 530 H ALA 35 H ALA 35 -18.844 1.786 5.473 531 HA ALA 35 HA ALA 35 -17.354 0.750 7.704 532 1HB ALA 35 1HB ALA 35 -15.734 0.326 5.955 533 2HB ALA 35 2HB ALA 35 -15.971 1.954 5.275 534 3HB ALA 35 3HB ALA 35 -15.201 1.758 6.868 535 H ALA 36 H ALA 36 -18.132 2.117 9.238 536 HA ALA 36 HA ALA 36 -19.332 4.498 8.916 537 1HB ALA 36 1HB ALA 36 -17.424 3.701 11.153 538 2HB ALA 36 2HB ALA 36 -18.682 4.957 11.253 539 3HB ALA 36 3HB ALA 36 -19.142 3.251 11.038 540 H ALA 37 H ALA 37 -18.792 6.460 8.104 541 HA ALA 37 HA ALA 37 -16.337 7.703 8.629 542 1HB ALA 37 1HB ALA 37 -15.712 5.830 6.940 543 2HB ALA 37 2HB ALA 37 -16.565 6.830 5.739 544 3HB ALA 37 3HB ALA 37 -15.153 7.486 6.602 Start of MODEL 12 1 1H SER 1 H SER 1 5.215 -2.396 -14.904 2 HA SER 1 HA SER 1 3.013 -2.366 -14.744 3 1HB SER 1 1HB SER 1 3.786 -4.802 -14.664 4 2HB SER 1 2HB SER 1 3.495 -4.771 -12.936 5 HG SER 1 HG SER 1 1.537 -5.431 -13.593 6 H ILE 2 H ILE 2 3.099 -0.310 -13.372 7 HA ILE 2 HA ILE 2 2.275 -0.848 -10.611 8 HB ILE 2 HB ILE 2 3.180 1.778 -11.780 9 1HG1 ILE 2 1HG1 ILE 2 4.859 -0.379 -10.469 10 2HG1 ILE 2 2HG1 ILE 2 4.973 0.171 -12.129 11 1HG2 ILE 2 1HG2 ILE 2 1.864 1.801 -9.662 12 2HG2 ILE 2 2HG2 ILE 2 3.135 0.806 -8.912 13 3HG2 ILE 2 3HG2 ILE 2 3.516 2.442 -9.500 14 1HD1 ILE 2 1HD1 ILE 2 5.683 1.685 -9.594 15 2HD1 ILE 2 2HD1 ILE 2 6.704 1.355 -11.015 16 3HD1 ILE 2 3HD1 ILE 2 5.383 2.544 -11.124 17 H THR 3 H THR 3 0.227 -1.600 -11.946 18 HA THR 3 HA THR 3 -1.414 0.714 -12.661 19 HB THR 3 HB THR 3 -2.899 -1.122 -13.596 20 HG1 THR 3 1HG THR 3 -1.994 -3.269 -13.392 21 1HG2 THR 3 1HG2 THR 3 -1.070 -0.177 -15.057 22 2HG2 THR 3 2HG2 THR 3 0.044 -1.402 -14.404 23 3HG2 THR 3 3HG2 THR 3 -1.361 -1.904 -15.375 24 H LYS 4 H LYS 4 -3.677 0.810 -11.899 25 HA LYS 4 HA LYS 4 -3.721 0.833 -9.122 26 1HB LYS 4 1HB LYS 4 -5.729 1.200 -11.309 27 2HB LYS 4 2HB LYS 4 -6.324 0.974 -9.677 28 1HG LYS 4 1HG LYS 4 -5.814 3.123 -9.175 29 2HG LYS 4 2HG LYS 4 -4.124 2.817 -9.518 30 1HD LYS 4 1HD LYS 4 -4.760 4.591 -10.999 31 2HD LYS 4 2HD LYS 4 -4.670 3.158 -12.004 32 1HE LYS 4 1HE LYS 4 -7.050 2.930 -12.108 33 2HE LYS 4 2HE LYS 4 -7.303 3.972 -10.721 34 1HZ LYS 4 1HZ LYS 4 -7.767 5.115 -12.762 35 2HZ LYS 4 2HZ LYS 4 -6.482 5.813 -12.034 36 3HZ LYS 4 3HZ LYS 4 -6.259 4.841 -13.328 37 H ASP 5 H ASP 5 -4.959 -1.570 -11.510 38 HA ASP 5 HA ASP 5 -6.349 -3.110 -9.721 39 1HB ASP 5 1HB ASP 5 -4.929 -3.667 -12.338 40 2HB ASP 5 2HB ASP 5 -5.629 -5.006 -11.450 41 H GLN 6 H GLN 6 -2.885 -3.144 -10.770 42 HA GLN 6 HA GLN 6 -2.130 -5.505 -9.634 43 1HB GLN 6 1HB GLN 6 -0.738 -2.953 -10.377 44 2HB GLN 6 2HB GLN 6 0.152 -4.070 -9.361 45 1HG GLN 6 1HG GLN 6 -1.233 -4.969 -11.922 46 2HG GLN 6 2HG GLN 6 0.409 -4.358 -11.920 47 1HE2 GLN 6 1HE2 GLN 6 -0.161 -6.882 -12.781 48 2HE2 GLN 6 2HE2 GLN 6 0.505 -8.063 -11.703 49 H ILE 7 H ILE 7 -2.875 -2.395 -8.129 50 HA ILE 7 HA ILE 7 -1.518 -2.999 -5.683 51 HB ILE 7 HB ILE 7 -3.538 -0.865 -6.382 52 1HG1 ILE 7 1HG1 ILE 7 -1.583 -0.668 -7.786 53 2HG1 ILE 7 2HG1 ILE 7 -1.574 0.610 -6.587 54 1HG2 ILE 7 1HG2 ILE 7 -1.968 -1.460 -3.905 55 2HG2 ILE 7 2HG2 ILE 7 -2.247 0.236 -4.365 56 3HG2 ILE 7 3HG2 ILE 7 -3.630 -0.851 -4.092 57 1HD1 ILE 7 1HD1 ILE 7 0.121 -1.910 -6.653 58 2HD1 ILE 7 2HD1 ILE 7 0.657 -0.214 -6.581 59 3HD1 ILE 7 3HD1 ILE 7 -0.088 -0.974 -5.154 60 H ILE 8 H ILE 8 -4.803 -3.349 -7.049 61 HA ILE 8 HA ILE 8 -6.176 -3.843 -4.702 62 HB ILE 8 HB ILE 8 -6.580 -4.931 -7.489 63 1HG1 ILE 8 1HG1 ILE 8 -7.730 -2.516 -6.061 64 2HG1 ILE 8 2HG1 ILE 8 -6.597 -2.498 -7.398 65 1HG2 ILE 8 1HG2 ILE 8 -8.866 -5.423 -6.838 66 2HG2 ILE 8 2HG2 ILE 8 -7.726 -6.319 -5.806 67 3HG2 ILE 8 3HG2 ILE 8 -8.541 -4.866 -5.179 68 1HD1 ILE 8 1HD1 ILE 8 -9.532 -3.128 -7.397 69 2HD1 ILE 8 2HD1 ILE 8 -8.561 -2.238 -8.595 70 3HD1 ILE 8 3HD1 ILE 8 -8.509 -4.016 -8.552 71 H GLU 9 H GLU 9 -4.310 -6.088 -6.838 72 HA GLU 9 HA GLU 9 -4.981 -8.343 -5.327 73 1HB GLU 9 1HB GLU 9 -2.728 -7.794 -7.302 74 2HB GLU 9 2HB GLU 9 -3.009 -9.373 -6.598 75 1HG GLU 9 1HG GLU 9 -5.126 -7.803 -8.142 76 2HG GLU 9 2HG GLU 9 -4.100 -9.026 -8.866 77 H ALA 10 H ALA 10 -2.859 -5.692 -4.737 78 HA ALA 10 HA ALA 10 -0.913 -7.131 -3.219 79 1HB ALA 10 1HB ALA 10 -0.733 -4.845 -4.463 80 2HB ALA 10 2HB ALA 10 -1.499 -4.172 -3.004 81 3HB ALA 10 3HB ALA 10 0.061 -5.019 -2.880 82 H VAL 11 H VAL 11 -4.021 -5.466 -2.625 83 HA VAL 11 HA VAL 11 -3.702 -5.623 0.227 84 HB VAL 11 HB VAL 11 -5.874 -4.740 -1.661 85 1HG1 VAL 11 1HG1 VAL 11 -6.043 -4.975 1.361 86 2HG1 VAL 11 2HG1 VAL 11 -7.170 -4.031 0.357 87 3HG1 VAL 11 3HG1 VAL 11 -7.062 -5.796 0.155 88 1HG2 VAL 11 1HG2 VAL 11 -5.490 -2.555 -0.533 89 2HG2 VAL 11 2HG2 VAL 11 -4.177 -3.303 0.408 90 3HG2 VAL 11 3HG2 VAL 11 -4.044 -3.178 -1.363 91 H ALA 12 H ALA 12 -4.749 -7.686 -2.377 92 HA ALA 12 HA ALA 12 -6.396 -9.313 -0.634 93 1HB ALA 12 1HB ALA 12 -6.874 -8.777 -3.098 94 2HB ALA 12 2HB ALA 12 -5.538 -9.888 -3.487 95 3HB ALA 12 3HB ALA 12 -6.973 -10.489 -2.623 96 H ALA 13 H ALA 13 -3.127 -8.803 -1.011 97 HA ALA 13 HA ALA 13 -2.421 -11.634 -0.905 98 1HB ALA 13 1HB ALA 13 -0.691 -9.134 -1.100 99 2HB ALA 13 2HB ALA 13 -0.134 -10.817 -1.257 100 3HB ALA 13 3HB ALA 13 -1.227 -10.125 -2.478 101 H MET 14 H MET 14 -2.815 -8.736 1.061 102 HA MET 14 HA MET 14 -1.285 -9.952 3.198 103 1HB MET 14 1HB MET 14 -2.650 -7.212 2.956 104 2HB MET 14 2HB MET 14 -1.625 -7.696 4.292 105 1HG MET 14 1HG MET 14 0.306 -7.965 2.752 106 2HG MET 14 2HG MET 14 -0.708 -7.578 1.377 107 1HE MET 14 1HE MET 14 0.454 -5.449 0.450 108 2HE MET 14 2HE MET 14 1.310 -4.316 1.523 109 3HE MET 14 3HE MET 14 1.754 -6.040 1.513 110 H SER 15 H SER 15 -2.311 -9.614 5.508 111 HA SER 15 HA SER 15 -4.787 -10.997 5.410 112 1HB SER 15 1HB SER 15 -4.422 -10.442 8.065 113 2HB SER 15 2HB SER 15 -3.692 -11.805 7.240 114 HG SER 15 HG SER 15 -1.764 -10.940 7.549 115 H VAL 16 H VAL 16 -6.650 -10.244 6.949 116 HA VAL 16 HA VAL 16 -7.570 -7.779 6.009 117 HB VAL 16 HB VAL 16 -8.457 -9.571 8.275 118 1HG1 VAL 16 1HG1 VAL 16 -9.431 -7.527 8.859 119 2HG1 VAL 16 2HG1 VAL 16 -9.673 -7.043 7.163 120 3HG1 VAL 16 3HG1 VAL 16 -10.691 -8.315 7.879 121 1HG2 VAL 16 1HG2 VAL 16 -8.551 -10.604 6.053 122 2HG2 VAL 16 2HG2 VAL 16 -10.187 -10.299 6.685 123 3HG2 VAL 16 3HG2 VAL 16 -9.499 -9.227 5.442 124 H MET 17 H MET 17 -6.131 -8.799 9.166 125 HA MET 17 HA MET 17 -6.482 -6.355 10.412 126 1HB MET 17 1HB MET 17 -4.745 -8.798 10.759 127 2HB MET 17 2HB MET 17 -4.248 -7.366 11.639 128 1HG MET 17 1HG MET 17 -7.105 -8.428 11.754 129 2HG MET 17 2HG MET 17 -5.863 -8.973 12.863 130 1HE MET 17 1HE MET 17 -8.056 -8.136 14.203 131 2HE MET 17 2HE MET 17 -6.659 -7.892 15.280 132 3HE MET 17 3HE MET 17 -7.893 -6.618 15.119 133 H ASP 18 H ASP 18 -3.718 -7.687 8.495 134 HA ASP 18 HA ASP 18 -1.968 -5.631 8.956 135 1HB ASP 18 1HB ASP 18 -1.727 -7.918 7.664 136 2HB ASP 18 2HB ASP 18 -2.213 -6.998 6.254 137 H VAL 19 H VAL 19 -4.797 -5.945 6.808 138 HA VAL 19 HA VAL 19 -4.085 -3.712 5.162 139 HB VAL 19 HB VAL 19 -6.457 -5.538 5.435 140 1HG1 VAL 19 1HG1 VAL 19 -7.348 -4.314 3.365 141 2HG1 VAL 19 2HG1 VAL 19 -7.553 -3.508 4.939 142 3HG1 VAL 19 3HG1 VAL 19 -6.263 -2.982 3.830 143 1HG2 VAL 19 1HG2 VAL 19 -5.836 -6.298 3.248 144 2HG2 VAL 19 2HG2 VAL 19 -4.661 -4.975 3.056 145 3HG2 VAL 19 3HG2 VAL 19 -4.361 -6.267 4.244 146 H VAL 20 H VAL 20 -6.004 -4.346 8.097 147 HA VAL 20 HA VAL 20 -7.486 -1.987 8.102 148 HB VAL 20 HB VAL 20 -6.510 -3.894 10.212 149 1HG1 VAL 20 1HG1 VAL 20 -8.044 -2.711 11.811 150 2HG1 VAL 20 2HG1 VAL 20 -6.580 -1.795 11.378 151 3HG1 VAL 20 3HG1 VAL 20 -8.145 -1.374 10.640 152 1HG2 VAL 20 1HG2 VAL 20 -8.267 -4.990 9.316 153 2HG2 VAL 20 2HG2 VAL 20 -9.242 -3.867 10.293 154 3HG2 VAL 20 3HG2 VAL 20 -8.940 -3.519 8.574 155 H GLU 21 H GLU 21 -4.172 -2.768 9.285 156 HA GLU 21 HA GLU 21 -3.747 -0.313 10.505 157 1HB GLU 21 1HB GLU 21 -1.963 -2.503 9.433 158 2HB GLU 21 2HB GLU 21 -1.236 -0.998 9.959 159 1HG GLU 21 1HG GLU 21 -2.895 -1.448 12.081 160 2HG GLU 21 2HG GLU 21 -2.629 -3.105 11.577 161 H LEU 22 H LEU 22 -3.022 -1.517 7.168 162 HA LEU 22 HA LEU 22 -1.694 0.710 6.237 163 1HB LEU 22 1HB LEU 22 -1.894 -1.489 5.123 164 2HB LEU 22 2HB LEU 22 -3.560 -1.121 4.722 165 HG LEU 22 HG LEU 22 -1.791 0.999 3.816 166 1HD1 LEU 22 1HD1 LEU 22 -0.071 -0.673 3.666 167 2HD1 LEU 22 2HD1 LEU 22 -1.177 -1.807 2.855 168 3HD1 LEU 22 3HD1 LEU 22 -0.667 -0.316 2.027 169 1HD2 LEU 22 1HD2 LEU 22 -3.684 -0.892 2.393 170 2HD2 LEU 22 2HD2 LEU 22 -4.058 0.733 3.015 171 3HD2 LEU 22 3HD2 LEU 22 -2.915 0.538 1.664 172 H ILE 23 H ILE 23 -5.224 -0.043 5.765 173 HA ILE 23 HA ILE 23 -5.892 2.374 4.661 174 HB ILE 23 HB ILE 23 -7.431 0.370 6.289 175 1HG1 ILE 23 1HG1 ILE 23 -7.749 1.057 3.368 176 2HG1 ILE 23 2HG1 ILE 23 -6.509 -0.057 3.910 177 1HG2 ILE 23 1HG2 ILE 23 -8.381 2.998 5.166 178 2HG2 ILE 23 2HG2 ILE 23 -9.478 1.604 5.316 179 3HG2 ILE 23 3HG2 ILE 23 -8.686 2.274 6.763 180 1HD1 ILE 23 1HD1 ILE 23 -9.518 -0.323 4.327 181 2HD1 ILE 23 2HD1 ILE 23 -8.467 -1.366 3.339 182 3HD1 ILE 23 3HD1 ILE 23 -8.321 -1.380 5.113 183 H SER 24 H SER 24 -5.542 1.450 8.116 184 HA SER 24 HA SER 24 -6.792 3.707 9.122 185 1HB SER 24 1HB SER 24 -4.871 1.651 10.203 186 2HB SER 24 2HB SER 24 -5.171 3.084 11.166 187 HG SER 24 HG SER 24 -6.785 0.880 10.764 188 H ALA 25 H ALA 25 -3.385 3.001 8.202 189 HA ALA 25 HA ALA 25 -2.204 5.244 9.339 190 1HB ALA 25 1HB ALA 25 -1.572 3.360 7.074 191 2HB ALA 25 2HB ALA 25 -0.564 4.807 7.313 192 3HB ALA 25 3HB ALA 25 -0.718 3.605 8.617 193 H MET 26 H MET 26 -3.428 4.721 5.954 194 HA MET 26 HA MET 26 -2.907 7.244 5.052 195 1HB MET 26 1HB MET 26 -5.105 5.218 4.397 196 2HB MET 26 2HB MET 26 -4.929 6.698 3.476 197 1HG MET 26 1HG MET 26 -2.562 6.072 2.926 198 2HG MET 26 2HG MET 26 -2.746 4.587 3.839 199 1HE MET 26 1HE MET 26 -1.780 4.121 1.057 200 2HE MET 26 2HE MET 26 -2.367 2.828 2.130 201 3HE MET 26 3HE MET 26 -2.925 2.905 0.441 202 H GLU 27 H GLU 27 -5.857 5.974 6.718 203 HA GLU 27 HA GLU 27 -7.498 8.084 6.397 204 1HB GLU 27 1HB GLU 27 -7.125 6.020 8.539 205 2HB GLU 27 2HB GLU 27 -8.163 7.376 8.931 206 1HG GLU 27 1HG GLU 27 -9.444 6.943 6.778 207 2HG GLU 27 2HG GLU 27 -8.466 5.509 6.532 208 H GLU 28 H GLU 28 -4.873 7.688 8.848 209 HA GLU 28 HA GLU 28 -5.547 10.162 10.075 210 1HB GLU 28 1HB GLU 28 -4.518 8.090 11.209 211 2HB GLU 28 2HB GLU 28 -2.997 8.547 10.468 212 1HG GLU 28 1HG GLU 28 -3.360 10.887 11.541 213 2HG GLU 28 2HG GLU 28 -4.632 10.138 12.486 214 H LYS 29 H LYS 29 -2.942 8.910 7.904 215 HA LYS 29 HA LYS 29 -1.336 11.157 7.926 216 1HB LYS 29 1HB LYS 29 -0.577 9.051 7.036 217 2HB LYS 29 2HB LYS 29 -1.814 9.058 5.795 218 1HG LYS 29 1HG LYS 29 0.065 9.855 4.620 219 2HG LYS 29 2HG LYS 29 -0.756 11.343 5.048 220 1HD LYS 29 1HD LYS 29 0.723 11.496 7.111 221 2HD LYS 29 2HD LYS 29 1.600 10.093 6.536 222 1HE LYS 29 1HE LYS 29 2.000 11.405 4.343 223 2HE LYS 29 2HE LYS 29 1.385 12.816 5.180 224 1HZ LYS 29 1HZ LYS 29 3.094 12.470 6.854 225 2HZ LYS 29 2HZ LYS 29 3.685 11.194 6.024 226 3HZ LYS 29 3HZ LYS 29 3.748 12.690 5.374 227 H PHE 30 H PHE 30 -3.726 10.252 5.335 228 HA PHE 30 HA PHE 30 -3.660 12.900 4.300 229 1HB PHE 30 1HB PHE 30 -5.438 10.421 3.915 230 2HB PHE 30 2HB PHE 30 -5.614 11.859 2.930 231 HD1 PHE 30 1HD PHE 30 -3.717 8.840 3.480 232 HD2 PHE 30 2HD PHE 30 -3.744 12.549 1.419 233 HE1 PHE 30 1HE PHE 30 -1.964 7.978 1.905 234 HE2 PHE 30 2HE PHE 30 -1.990 11.687 -0.156 235 HZ PHE 30 HZ PHE 30 -1.121 9.412 0.106 236 H GLY 31 H GLY 31 -5.042 11.677 7.093 237 1HA GLY 31 1HA GLY 31 -6.781 12.278 8.402 238 2HA GLY 31 2HA GLY 31 -6.407 13.894 7.838 239 H VAL 32 H VAL 32 -7.872 10.952 6.269 240 HA VAL 32 HA VAL 32 -10.039 12.710 5.358 241 HB VAL 32 HB VAL 32 -8.683 11.742 3.588 242 1HG1 VAL 32 1HG1 VAL 32 -7.711 9.774 4.196 243 2HG1 VAL 32 2HG1 VAL 32 -9.123 9.236 5.136 244 3HG1 VAL 32 3HG1 VAL 32 -9.131 9.099 3.361 245 1HG2 VAL 32 1HG2 VAL 32 -10.439 10.972 2.217 246 2HG2 VAL 32 2HG2 VAL 32 -11.314 10.252 3.590 247 3HG2 VAL 32 3HG2 VAL 32 -11.228 12.022 3.419 248 H SER 33 H SER 33 -10.428 12.159 7.918 249 HA SER 33 HA SER 33 -11.981 9.704 7.988 250 1HB SER 33 1HB SER 33 -11.944 10.059 10.487 251 2HB SER 33 2HB SER 33 -10.359 9.829 9.775 252 HG SER 33 HG SER 33 -9.794 11.873 10.237 253 H ALA 34 H ALA 34 -14.218 9.742 8.546 254 HA ALA 34 HA ALA 34 -15.514 12.063 9.466 255 1HB ALA 34 1HB ALA 34 -16.818 12.523 7.359 256 2HB ALA 34 2HB ALA 34 -15.097 12.964 7.259 257 3HB ALA 34 3HB ALA 34 -15.679 11.470 6.486 258 H ALA 35 H ALA 35 -15.937 10.078 10.846 259 HA ALA 35 HA ALA 35 -18.504 9.057 10.142 260 1HB ALA 35 1HB ALA 35 -16.080 7.223 10.139 261 2HB ALA 35 2HB ALA 35 -17.750 6.637 10.330 262 3HB ALA 35 3HB ALA 35 -17.265 7.469 8.834 263 H ALA 36 H ALA 36 -18.883 10.318 12.106 264 HA ALA 36 HA ALA 36 -17.655 10.111 14.490 265 1HB ALA 36 1HB ALA 36 -20.637 10.199 13.884 266 2HB ALA 36 2HB ALA 36 -19.919 10.558 15.473 267 3HB ALA 36 3HB ALA 36 -19.541 11.589 14.072 268 H ALA 37 H ALA 37 -16.835 8.288 15.416 269 HA ALA 37 HA ALA 37 -18.627 6.342 16.409 270 1HB ALA 37 1HB ALA 37 -16.936 5.659 13.984 271 2HB ALA 37 2HB ALA 37 -17.496 4.418 15.131 272 3HB ALA 37 3HB ALA 37 -18.679 5.395 14.229 273 1H SER 1 H SER 1 11.043 -3.214 -1.319 274 HA SER 1 HA SER 1 10.931 -3.202 1.562 275 1HB SER 1 1HB SER 1 11.353 -0.661 -0.073 276 2HB SER 1 2HB SER 1 11.021 -0.708 1.647 277 HG SER 1 HG SER 1 13.021 -1.771 2.012 278 H ILE 2 H ILE 2 8.907 -4.376 0.817 279 HA ILE 2 HA ILE 2 6.896 -2.502 -0.195 280 HB ILE 2 HB ILE 2 6.704 -5.503 0.027 281 1HG1 ILE 2 1HG1 ILE 2 7.674 -3.814 -2.294 282 2HG1 ILE 2 2HG1 ILE 2 8.594 -5.010 -1.402 283 1HG2 ILE 2 1HG2 ILE 2 5.129 -3.541 -1.659 284 2HG2 ILE 2 2HG2 ILE 2 4.858 -5.294 -1.503 285 3HG2 ILE 2 3HG2 ILE 2 4.580 -4.222 -0.109 286 1HD1 ILE 2 1HD1 ILE 2 7.890 -6.163 -3.357 287 2HD1 ILE 2 2HD1 ILE 2 6.743 -6.704 -2.107 288 3HD1 ILE 2 3HD1 ILE 2 6.255 -5.463 -3.286 289 H THR 3 H THR 3 7.360 -1.621 2.179 290 HA THR 3 HA THR 3 5.845 -3.162 4.143 291 HB THR 3 HB THR 3 6.808 -1.350 5.672 292 HG1 THR 3 1HG THR 3 8.673 -0.653 3.693 293 1HG2 THR 3 1HG2 THR 3 9.218 -2.018 5.397 294 2HG2 THR 3 2HG2 THR 3 8.136 -3.432 5.373 295 3HG2 THR 3 3HG2 THR 3 8.804 -2.796 3.850 296 H LYS 4 H LYS 4 4.216 -2.068 5.502 297 HA LYS 4 HA LYS 4 2.185 -1.054 3.950 298 1HB LYS 4 1HB LYS 4 2.752 -1.183 6.888 299 2HB LYS 4 2HB LYS 4 1.409 -0.199 6.344 300 1HG LYS 4 1HG LYS 4 0.137 -2.024 5.860 301 2HG LYS 4 2HG LYS 4 1.433 -2.784 4.957 302 1HD LYS 4 1HD LYS 4 1.068 -4.268 6.775 303 2HD LYS 4 2HD LYS 4 2.490 -3.365 7.255 304 1HE LYS 4 1HE LYS 4 0.139 -1.900 8.114 305 2HE LYS 4 2HE LYS 4 -0.023 -3.566 8.634 306 1HZ LYS 4 1HZ LYS 4 1.176 -2.359 10.258 307 2HZ LYS 4 2HZ LYS 4 2.234 -3.380 9.547 308 3HZ LYS 4 3HZ LYS 4 2.255 -1.791 9.170 309 H ASP 5 H ASP 5 4.686 0.669 5.900 310 HA ASP 5 HA ASP 5 3.625 3.179 5.632 311 1HB ASP 5 1HB ASP 5 6.437 2.101 5.969 312 2HB ASP 5 2HB ASP 5 6.204 3.825 5.752 313 H GLN 6 H GLN 6 6.062 1.383 3.616 314 HA GLN 6 HA GLN 6 6.722 3.369 1.896 315 1HB GLN 6 1HB GLN 6 6.596 0.367 1.682 316 2HB GLN 6 2HB GLN 6 6.925 1.282 0.224 317 1HG GLN 6 1HG GLN 6 8.477 1.825 2.781 318 2HG GLN 6 2HG GLN 6 8.948 0.522 1.708 319 1HE2 GLN 6 1HE2 GLN 6 9.406 1.015 -0.521 320 2HE2 GLN 6 2HE2 GLN 6 10.080 2.550 -0.958 321 H ILE 7 H ILE 7 3.718 1.526 2.118 322 HA ILE 7 HA ILE 7 2.890 2.127 -0.557 323 HB ILE 7 HB ILE 7 1.477 0.932 1.826 324 1HG1 ILE 7 1HG1 ILE 7 3.283 -0.453 0.957 325 2HG1 ILE 7 2HG1 ILE 7 1.723 -1.176 0.617 326 1HG2 ILE 7 1HG2 ILE 7 -0.119 0.164 -0.107 327 2HG2 ILE 7 2HG2 ILE 7 -0.326 1.756 0.662 328 3HG2 ILE 7 3HG2 ILE 7 0.488 1.629 -0.916 329 1HD1 ILE 7 1HD1 ILE 7 3.614 0.219 -1.298 330 2HD1 ILE 7 2HD1 ILE 7 2.866 -1.390 -1.439 331 3HD1 ILE 7 3HD1 ILE 7 1.883 0.074 -1.686 332 H ILE 8 H ILE 8 2.570 3.537 2.695 333 HA ILE 8 HA ILE 8 0.418 5.218 2.202 334 HB ILE 8 HB ILE 8 2.815 5.617 3.997 335 1HG1 ILE 8 1HG1 ILE 8 1.771 3.518 4.505 336 2HG1 ILE 8 2HG1 ILE 8 1.334 4.672 5.750 337 1HG2 ILE 8 1HG2 ILE 8 1.781 7.720 3.839 338 2HG2 ILE 8 2HG2 ILE 8 0.146 7.017 3.834 339 3HG2 ILE 8 3HG2 ILE 8 1.121 6.991 5.323 340 1HD1 ILE 8 1HD1 ILE 8 -0.831 5.113 4.481 341 2HD1 ILE 8 2HD1 ILE 8 -0.393 3.762 3.408 342 3HD1 ILE 8 3HD1 ILE 8 -0.677 3.467 5.140 343 H GLU 9 H GLU 9 3.972 5.734 1.720 344 HA GLU 9 HA GLU 9 3.620 8.342 0.778 345 1HB GLU 9 1HB GLU 9 5.907 6.350 0.495 346 2HB GLU 9 2HB GLU 9 6.011 8.002 -0.080 347 1HG GLU 9 1HG GLU 9 5.472 8.816 2.246 348 2HG GLU 9 2HG GLU 9 5.450 7.155 2.802 349 H ALA 10 H ALA 10 2.911 5.286 -0.609 350 HA ALA 10 HA ALA 10 3.550 5.964 -3.316 351 1HB ALA 10 1HB ALA 10 3.426 3.633 -2.181 352 2HB ALA 10 2HB ALA 10 1.665 3.780 -2.397 353 3HB ALA 10 3HB ALA 10 2.741 3.805 -3.815 354 H VAL 11 H VAL 11 0.576 5.796 -1.259 355 HA VAL 11 HA VAL 11 -1.145 6.580 -3.359 356 HB VAL 11 HB VAL 11 -1.352 6.435 -0.359 357 1HG1 VAL 11 1HG1 VAL 11 -3.795 6.871 -0.625 358 2HG1 VAL 11 2HG1 VAL 11 -2.776 8.287 -0.983 359 3HG1 VAL 11 3HG1 VAL 11 -3.490 7.344 -2.314 360 1HG2 VAL 11 1HG2 VAL 11 -3.098 4.681 -1.041 361 2HG2 VAL 11 2HG2 VAL 11 -2.407 4.803 -2.677 362 3HG2 VAL 11 3HG2 VAL 11 -1.385 4.280 -1.316 363 H ALA 12 H ALA 12 1.151 8.255 -1.359 364 HA ALA 12 HA ALA 12 -0.187 10.809 -1.754 365 1HB ALA 12 1HB ALA 12 1.396 11.659 -0.188 366 2HB ALA 12 2HB ALA 12 0.929 10.056 0.430 367 3HB ALA 12 3HB ALA 12 2.482 10.268 -0.414 368 H ALA 13 H ALA 13 1.367 8.812 -3.761 369 HA ALA 13 HA ALA 13 3.158 10.863 -4.849 370 1HB ALA 13 1HB ALA 13 3.021 7.987 -5.760 371 2HB ALA 13 2HB ALA 13 4.394 9.118 -5.804 372 3HB ALA 13 3HB ALA 13 3.871 8.414 -4.255 373 H MET 14 H MET 14 0.170 9.042 -5.329 374 HA MET 14 HA MET 14 0.075 9.882 -8.096 375 1HB MET 14 1HB MET 14 -1.843 8.177 -6.409 376 2HB MET 14 2HB MET 14 -1.975 8.409 -8.141 377 1HG MET 14 1HG MET 14 -0.481 6.742 -8.526 378 2HG MET 14 2HG MET 14 0.727 7.545 -7.543 379 1HE MET 14 1HE MET 14 -0.079 4.413 -8.036 380 2HE MET 14 2HE MET 14 -0.883 3.630 -6.654 381 3HE MET 14 3HE MET 14 -1.825 4.643 -7.774 382 H SER 15 H SER 15 -2.249 10.643 -8.850 383 HA SER 15 HA SER 15 -2.775 12.975 -7.321 384 1HB SER 15 1HB SER 15 -4.722 12.972 -9.241 385 2HB SER 15 2HB SER 15 -3.094 13.566 -9.502 386 HG SER 15 HG SER 15 -4.356 11.369 -10.609 387 H VAL 16 H VAL 16 -5.129 13.607 -6.777 388 HA VAL 16 HA VAL 16 -6.178 11.739 -5.006 389 HB VAL 16 HB VAL 16 -7.384 14.199 -6.285 390 1HG1 VAL 16 1HG1 VAL 16 -9.205 12.880 -5.446 391 2HG1 VAL 16 2HG1 VAL 16 -8.336 12.540 -3.930 392 3HG1 VAL 16 3HG1 VAL 16 -8.904 14.191 -4.280 393 1HG2 VAL 16 1HG2 VAL 16 -5.782 13.719 -3.766 394 2HG2 VAL 16 2HG2 VAL 16 -5.474 14.875 -5.084 395 3HG2 VAL 16 3HG2 VAL 16 -6.828 15.146 -3.961 396 H MET 17 H MET 17 -7.110 12.631 -8.380 397 HA MET 17 HA MET 17 -9.391 11.116 -8.508 398 1HB MET 17 1HB MET 17 -7.337 12.168 -10.459 399 2HB MET 17 2HB MET 17 -8.460 10.972 -11.076 400 1HG MET 17 1HG MET 17 -9.405 13.444 -9.559 401 2HG MET 17 2HG MET 17 -9.167 13.453 -11.295 402 1HE MET 17 1HE MET 17 -11.591 14.218 -11.466 403 2HE MET 17 2HE MET 17 -13.024 13.236 -11.078 404 3HE MET 17 3HE MET 17 -12.073 13.979 -9.770 405 H ASP 18 H ASP 18 -5.961 10.206 -9.232 406 HA ASP 18 HA ASP 18 -6.549 7.707 -10.238 407 1HB ASP 18 1HB ASP 18 -4.343 8.898 -10.413 408 2HB ASP 18 2HB ASP 18 -4.072 8.626 -8.703 409 H VAL 19 H VAL 19 -6.405 9.023 -6.960 410 HA VAL 19 HA VAL 19 -6.076 6.436 -5.720 411 HB VAL 19 HB VAL 19 -6.415 9.260 -4.719 412 1HG1 VAL 19 1HG1 VAL 19 -7.550 7.992 -3.071 413 2HG1 VAL 19 2HG1 VAL 19 -6.359 6.672 -3.149 414 3HG1 VAL 19 3HG1 VAL 19 -5.906 8.239 -2.436 415 1HG2 VAL 19 1HG2 VAL 19 -4.105 7.311 -4.432 416 2HG2 VAL 19 2HG2 VAL 19 -4.215 8.574 -5.682 417 3HG2 VAL 19 3HG2 VAL 19 -4.132 9.028 -3.963 418 H VAL 20 H VAL 20 -8.636 8.695 -6.669 419 HA VAL 20 HA VAL 20 -10.629 7.621 -4.978 420 HB VAL 20 HB VAL 20 -10.644 9.269 -7.502 421 1HG1 VAL 20 1HG1 VAL 20 -13.014 8.342 -5.850 422 2HG1 VAL 20 2HG1 VAL 20 -13.072 9.676 -7.027 423 3HG1 VAL 20 3HG1 VAL 20 -12.701 8.023 -7.572 424 1HG2 VAL 20 1HG2 VAL 20 -10.008 9.977 -4.949 425 2HG2 VAL 20 2HG2 VAL 20 -10.692 11.087 -6.160 426 3HG2 VAL 20 3HG2 VAL 20 -11.757 10.309 -4.965 427 H GLU 21 H GLU 21 -9.480 6.920 -8.317 428 HA GLU 21 HA GLU 21 -11.518 5.094 -8.871 429 1HB GLU 21 1HB GLU 21 -8.753 5.573 -10.031 430 2HB GLU 21 2HB GLU 21 -9.773 4.281 -10.631 431 1HG GLU 21 1HG GLU 21 -11.623 6.140 -10.849 432 2HG GLU 21 2HG GLU 21 -10.294 7.273 -10.703 433 H LEU 22 H LEU 22 -8.165 4.750 -7.562 434 HA LEU 22 HA LEU 22 -8.055 1.999 -7.469 435 1HB LEU 22 1HB LEU 22 -6.205 3.599 -7.068 436 2HB LEU 22 2HB LEU 22 -6.893 3.973 -5.499 437 HG LEU 22 HG LEU 22 -6.339 1.101 -6.054 438 1HD1 LEU 22 1HD1 LEU 22 -3.931 1.460 -5.345 439 2HD1 LEU 22 2HD1 LEU 22 -4.345 1.930 -7.011 440 3HD1 LEU 22 3HD1 LEU 22 -4.164 3.176 -5.753 441 1HD2 LEU 22 1HD2 LEU 22 -7.256 1.642 -3.926 442 2HD2 LEU 22 2HD2 LEU 22 -5.542 1.235 -3.672 443 3HD2 LEU 22 3HD2 LEU 22 -6.063 2.937 -3.665 444 H ILE 23 H ILE 23 -9.028 4.233 -4.766 445 HA ILE 23 HA ILE 23 -9.808 2.277 -3.016 446 HB ILE 23 HB ILE 23 -10.669 5.123 -3.438 447 1HG1 ILE 23 1HG1 ILE 23 -9.169 3.926 -1.108 448 2HG1 ILE 23 2HG1 ILE 23 -8.345 4.391 -2.584 449 1HG2 ILE 23 1HG2 ILE 23 -11.712 4.925 -1.126 450 2HG2 ILE 23 2HG2 ILE 23 -12.624 4.221 -2.483 451 3HG2 ILE 23 3HG2 ILE 23 -11.704 3.164 -1.386 452 1HD1 ILE 23 1HD1 ILE 23 -9.423 6.698 -2.358 453 2HD1 ILE 23 2HD1 ILE 23 -9.983 6.188 -0.747 454 3HD1 ILE 23 3HD1 ILE 23 -8.240 6.288 -1.093 455 H SER 24 H SER 24 -11.703 3.864 -5.649 456 HA SER 24 HA SER 24 -14.119 2.725 -4.982 457 1HB SER 24 1HB SER 24 -12.913 3.944 -7.443 458 2HB SER 24 2HB SER 24 -14.372 3.001 -7.673 459 HG SER 24 HG SER 24 -15.450 4.343 -6.102 460 H ALA 25 H ALA 25 -11.347 1.518 -6.912 461 HA ALA 25 HA ALA 25 -12.631 -0.649 -8.108 462 1HB ALA 25 1HB ALA 25 -9.734 -0.653 -7.237 463 2HB ALA 25 2HB ALA 25 -10.460 -1.322 -8.718 464 3HB ALA 25 3HB ALA 25 -10.302 0.440 -8.521 465 H MET 26 H MET 26 -10.442 -0.635 -5.198 466 HA MET 26 HA MET 26 -10.863 -3.207 -4.472 467 1HB MET 26 1HB MET 26 -10.407 -0.672 -2.815 468 2HB MET 26 2HB MET 26 -10.380 -2.264 -2.082 469 1HG MET 26 1HG MET 26 -8.531 -2.964 -3.574 470 2HG MET 26 2HG MET 26 -8.602 -1.435 -4.428 471 1HE MET 26 1HE MET 26 -5.310 -0.906 -2.531 472 2HE MET 26 2HE MET 26 -5.851 -2.536 -2.998 473 3HE MET 26 3HE MET 26 -6.142 -1.157 -4.085 474 H GLU 27 H GLU 27 -12.867 -0.311 -3.703 475 HA GLU 27 HA GLU 27 -14.471 -1.362 -1.798 476 1HB GLU 27 1HB GLU 27 -14.758 0.748 -3.893 477 2HB GLU 27 2HB GLU 27 -16.257 0.184 -3.182 478 1HG GLU 27 1HG GLU 27 -15.384 0.655 -0.903 479 2HG GLU 27 2HG GLU 27 -13.843 1.149 -1.576 480 H GLU 28 H GLU 28 -14.705 -1.735 -5.378 481 HA GLU 28 HA GLU 28 -17.149 -3.179 -5.135 482 1HB GLU 28 1HB GLU 28 -16.412 -1.654 -7.090 483 2HB GLU 28 2HB GLU 28 -15.387 -2.978 -7.606 484 1HG GLU 28 1HG GLU 28 -17.574 -4.439 -7.418 485 2HG GLU 28 2HG GLU 28 -18.417 -2.903 -7.431 486 H LYS 29 H LYS 29 -13.695 -3.908 -5.938 487 HA LYS 29 HA LYS 29 -14.019 -6.564 -6.597 488 1HB LYS 29 1HB LYS 29 -11.976 -5.340 -7.031 489 2HB LYS 29 2HB LYS 29 -11.683 -5.118 -5.318 490 1HG LYS 29 1HG LYS 29 -12.087 -7.954 -6.153 491 2HG LYS 29 2HG LYS 29 -10.657 -7.193 -6.822 492 1HD LYS 29 1HD LYS 29 -10.075 -6.429 -4.440 493 2HD LYS 29 2HD LYS 29 -11.387 -7.441 -3.869 494 1HE LYS 29 1HE LYS 29 -9.291 -8.640 -5.699 495 2HE LYS 29 2HE LYS 29 -8.908 -8.403 -4.005 496 1HZ LYS 29 1HZ LYS 29 -9.865 -10.558 -4.403 497 2HZ LYS 29 2HZ LYS 29 -10.857 -9.686 -3.443 498 3HZ LYS 29 3HZ LYS 29 -11.226 -9.899 -5.019 499 H PHE 30 H PHE 30 -12.917 -5.275 -3.377 500 HA PHE 30 HA PHE 30 -13.376 -7.794 -2.153 501 1HB PHE 30 1HB PHE 30 -12.844 -4.918 -1.214 502 2HB PHE 30 2HB PHE 30 -12.974 -6.242 -0.073 503 HD1 PHE 30 1HD PHE 30 -11.362 -8.242 -0.432 504 HD2 PHE 30 2HD PHE 30 -10.785 -4.418 -2.178 505 HE1 PHE 30 1HE PHE 30 -8.925 -8.754 -0.748 506 HE2 PHE 30 2HE PHE 30 -8.348 -4.930 -2.495 507 HZ PHE 30 HZ PHE 30 -7.447 -7.092 -1.776 508 H GLY 31 H GLY 31 -15.504 -5.385 -3.211 509 1HA GLY 31 1HA GLY 31 -17.629 -4.834 -2.726 510 2HA GLY 31 2HA GLY 31 -17.792 -6.483 -2.157 511 H VAL 32 H VAL 32 -16.139 -3.445 -1.007 512 HA VAL 32 HA VAL 32 -17.610 -3.772 1.506 513 HB VAL 32 HB VAL 32 -14.685 -3.048 1.257 514 1HG1 VAL 32 1HG1 VAL 32 -15.975 -2.012 3.156 515 2HG1 VAL 32 2HG1 VAL 32 -16.294 -3.658 3.754 516 3HG1 VAL 32 3HG1 VAL 32 -14.622 -3.056 3.652 517 1HG2 VAL 32 1HG2 VAL 32 -14.386 -5.264 2.500 518 2HG2 VAL 32 2HG2 VAL 32 -16.051 -5.643 1.998 519 3HG2 VAL 32 3HG2 VAL 32 -14.795 -5.358 0.770 520 H SER 33 H SER 33 -19.013 -2.220 0.217 521 HA SER 33 HA SER 33 -17.807 0.426 0.165 522 1HB SER 33 1HB SER 33 -20.351 -0.619 -1.157 523 2HB SER 33 2HB SER 33 -19.771 1.030 -1.283 524 HG SER 33 HG SER 33 -18.841 -1.312 -2.546 525 H ALA 34 H ALA 34 -18.001 0.809 2.473 526 HA ALA 34 HA ALA 34 -19.001 1.489 4.326 527 1HB ALA 34 1HB ALA 34 -21.311 2.242 2.491 528 2HB ALA 34 2HB ALA 34 -20.933 2.944 4.083 529 3HB ALA 34 3HB ALA 34 -19.836 3.215 2.708 530 H ALA 35 H ALA 35 -19.011 -1.013 4.621 531 HA ALA 35 HA ALA 35 -20.017 -2.811 5.424 532 1HB ALA 35 1HB ALA 35 -22.425 -1.042 5.979 533 2HB ALA 35 2HB ALA 35 -21.907 -2.498 6.862 534 3HB ALA 35 3HB ALA 35 -20.945 -1.004 6.966 535 H ALA 36 H ALA 36 -20.166 -4.050 3.540 536 HA ALA 36 HA ALA 36 -21.736 -3.723 1.391 537 1HB ALA 36 1HB ALA 36 -21.665 -6.202 1.177 538 2HB ALA 36 2HB ALA 36 -20.092 -5.520 1.656 539 3HB ALA 36 3HB ALA 36 -21.124 -6.315 2.869 540 H ALA 37 H ALA 37 -23.876 -3.418 1.051 541 HA ALA 37 HA ALA 37 -25.696 -4.440 3.118 542 1HB ALA 37 1HB ALA 37 -27.192 -2.631 2.441 543 2HB ALA 37 2HB ALA 37 -25.588 -1.963 2.824 544 3HB ALA 37 3HB ALA 37 -26.084 -2.168 1.127 Start of MODEL 13 1 1H SER 1 H SER 1 5.870 -0.853 -13.504 2 HA SER 1 HA SER 1 3.674 -1.022 -13.671 3 1HB SER 1 1HB SER 1 4.450 -3.579 -12.210 4 2HB SER 1 2HB SER 1 2.869 -3.347 -12.930 5 HG SER 1 HG SER 1 5.402 -3.217 -14.335 6 H ILE 2 H ILE 2 3.366 0.860 -12.098 7 HA ILE 2 HA ILE 2 2.253 -0.043 -9.547 8 HB ILE 2 HB ILE 2 2.930 2.771 -10.388 9 1HG1 ILE 2 1HG1 ILE 2 4.690 0.734 -8.993 10 2HG1 ILE 2 2HG1 ILE 2 4.956 1.438 -10.576 11 1HG2 ILE 2 1HG2 ILE 2 2.852 3.281 -8.049 12 2HG2 ILE 2 2HG2 ILE 2 1.345 2.441 -8.486 13 3HG2 ILE 2 3HG2 ILE 2 2.635 1.566 -7.626 14 1HD1 ILE 2 1HD1 ILE 2 5.048 2.837 -7.876 15 2HD1 ILE 2 2HD1 ILE 2 6.346 2.691 -9.084 16 3HD1 ILE 2 3HD1 ILE 2 4.946 3.742 -9.405 17 H THR 3 H THR 3 0.544 -0.908 -11.292 18 HA THR 3 HA THR 3 -1.298 1.189 -12.090 19 HB THR 3 HB THR 3 -2.484 -0.846 -13.093 20 HG1 THR 3 1HG THR 3 -1.140 -2.819 -12.886 21 1HG2 THR 3 1HG2 THR 3 0.414 -0.179 -13.680 22 2HG2 THR 3 2HG2 THR 3 -0.323 -1.587 -14.483 23 3HG2 THR 3 3HG2 THR 3 -1.016 0.035 -14.718 24 H LYS 4 H LYS 4 -3.621 1.060 -11.564 25 HA LYS 4 HA LYS 4 -3.979 1.062 -8.808 26 1HB LYS 4 1HB LYS 4 -5.797 1.171 -11.195 27 2HB LYS 4 2HB LYS 4 -6.493 0.979 -9.599 28 1HG LYS 4 1HG LYS 4 -5.352 3.021 -8.805 29 2HG LYS 4 2HG LYS 4 -4.511 3.184 -10.334 30 1HD LYS 4 1HD LYS 4 -7.548 3.107 -10.238 31 2HD LYS 4 2HD LYS 4 -6.683 4.601 -9.937 32 1HE LYS 4 1HE LYS 4 -5.942 3.002 -12.390 33 2HE LYS 4 2HE LYS 4 -7.446 3.901 -12.416 34 1HZ LYS 4 1HZ LYS 4 -5.669 5.252 -13.206 35 2HZ LYS 4 2HZ LYS 4 -6.178 5.868 -11.783 36 3HZ LYS 4 3HZ LYS 4 -4.787 5.016 -11.852 37 H ASP 5 H ASP 5 -4.757 -1.425 -11.312 38 HA ASP 5 HA ASP 5 -6.123 -3.113 -9.637 39 1HB ASP 5 1HB ASP 5 -4.500 -3.480 -12.165 40 2HB ASP 5 2HB ASP 5 -5.094 -4.904 -11.335 41 H GLN 6 H GLN 6 -2.616 -2.694 -10.342 42 HA GLN 6 HA GLN 6 -1.712 -5.046 -9.245 43 1HB GLN 6 1HB GLN 6 -0.560 -2.406 -9.974 44 2HB GLN 6 2HB GLN 6 0.351 -3.271 -8.752 45 1HG GLN 6 1HG GLN 6 -0.540 -4.535 -11.385 46 2HG GLN 6 2HG GLN 6 1.024 -3.776 -11.162 47 1HE2 GLN 6 1HE2 GLN 6 0.317 -6.541 -11.771 48 2HE2 GLN 6 2HE2 GLN 6 0.997 -7.546 -10.535 49 H ILE 7 H ILE 7 -2.915 -2.100 -7.734 50 HA ILE 7 HA ILE 7 -1.700 -2.660 -5.192 51 HB ILE 7 HB ILE 7 -3.779 -0.660 -6.082 52 1HG1 ILE 7 1HG1 ILE 7 -1.415 -0.486 -7.001 53 2HG1 ILE 7 2HG1 ILE 7 -2.055 0.929 -6.189 54 1HG2 ILE 7 1HG2 ILE 7 -4.280 -0.718 -3.861 55 2HG2 ILE 7 2HG2 ILE 7 -2.668 -1.309 -3.392 56 3HG2 ILE 7 3HG2 ILE 7 -2.900 0.405 -3.812 57 1HD1 ILE 7 1HD1 ILE 7 0.383 -0.161 -5.619 58 2HD1 ILE 7 2HD1 ILE 7 -0.570 0.774 -4.441 59 3HD1 ILE 7 3HD1 ILE 7 -0.626 -1.005 -4.419 60 H ILE 8 H ILE 8 -4.782 -3.269 -6.885 61 HA ILE 8 HA ILE 8 -6.311 -3.916 -4.654 62 HB ILE 8 HB ILE 8 -6.472 -4.909 -7.501 63 1HG1 ILE 8 1HG1 ILE 8 -7.773 -2.553 -6.106 64 2HG1 ILE 8 2HG1 ILE 8 -6.559 -2.483 -7.367 65 1HG2 ILE 8 1HG2 ILE 8 -7.744 -6.081 -5.440 66 2HG2 ILE 8 2HG2 ILE 8 -8.894 -4.770 -5.795 67 3HG2 ILE 8 3HG2 ILE 8 -8.443 -5.927 -7.070 68 1HD1 ILE 8 1HD1 ILE 8 -8.430 -2.254 -8.700 69 2HD1 ILE 8 2HD1 ILE 8 -8.374 -4.032 -8.653 70 3HD1 ILE 8 3HD1 ILE 8 -9.474 -3.147 -7.568 71 H GLU 9 H GLU 9 -4.291 -6.002 -6.825 72 HA GLU 9 HA GLU 9 -4.914 -8.333 -5.427 73 1HB GLU 9 1HB GLU 9 -3.061 -9.337 -6.728 74 2HB GLU 9 2HB GLU 9 -4.091 -8.351 -7.747 75 1HG GLU 9 1HG GLU 9 -2.416 -6.866 -8.210 76 2HG GLU 9 2HG GLU 9 -1.898 -6.788 -6.537 77 H ALA 10 H ALA 10 -2.882 -5.646 -4.667 78 HA ALA 10 HA ALA 10 -0.920 -7.106 -3.187 79 1HB ALA 10 1HB ALA 10 0.121 -5.083 -3.056 80 2HB ALA 10 2HB ALA 10 -1.040 -4.628 -4.327 81 3HB ALA 10 3HB ALA 10 -1.378 -4.224 -2.626 82 H VAL 11 H VAL 11 -4.029 -5.441 -2.541 83 HA VAL 11 HA VAL 11 -3.753 -5.592 0.284 84 HB VAL 11 HB VAL 11 -6.028 -5.033 -1.613 85 1HG1 VAL 11 1HG1 VAL 11 -7.388 -4.385 0.330 86 2HG1 VAL 11 2HG1 VAL 11 -6.973 -6.115 0.375 87 3HG1 VAL 11 3HG1 VAL 11 -6.108 -4.965 1.423 88 1HG2 VAL 11 1HG2 VAL 11 -5.462 -2.906 0.204 89 2HG2 VAL 11 2HG2 VAL 11 -3.919 -3.468 -0.482 90 3HG2 VAL 11 3HG2 VAL 11 -5.237 -2.951 -1.561 91 H ALA 12 H ALA 12 -4.895 -7.731 -2.301 92 HA ALA 12 HA ALA 12 -6.252 -9.477 -0.452 93 1HB ALA 12 1HB ALA 12 -6.439 -10.881 -2.591 94 2HB ALA 12 2HB ALA 12 -7.223 -9.283 -2.620 95 3HB ALA 12 3HB ALA 12 -5.655 -9.520 -3.428 96 H ALA 13 H ALA 13 -3.056 -8.761 -0.983 97 HA ALA 13 HA ALA 13 -2.146 -11.529 -0.948 98 1HB ALA 13 1HB ALA 13 -0.221 -10.721 -1.850 99 2HB ALA 13 2HB ALA 13 -1.214 -9.293 -2.228 100 3HB ALA 13 3HB ALA 13 -0.192 -9.306 -0.771 101 H MET 14 H MET 14 -2.644 -8.689 1.107 102 HA MET 14 HA MET 14 -1.108 -9.965 3.212 103 1HB MET 14 1HB MET 14 -2.405 -7.192 2.979 104 2HB MET 14 2HB MET 14 -1.474 -7.719 4.366 105 1HG MET 14 1HG MET 14 0.525 -7.389 3.300 106 2HG MET 14 2HG MET 14 -0.031 -8.151 1.823 107 1HE MET 14 1HE MET 14 1.798 -5.225 1.916 108 2HE MET 14 2HE MET 14 1.482 -6.523 0.740 109 3HE MET 14 3HE MET 14 1.067 -4.838 0.339 110 H SER 15 H SER 15 -2.155 -9.608 5.532 111 HA SER 15 HA SER 15 -4.636 -10.978 5.407 112 1HB SER 15 1HB SER 15 -4.303 -10.419 8.064 113 2HB SER 15 2HB SER 15 -3.567 -11.786 7.252 114 HG SER 15 HG SER 15 -1.606 -10.805 7.242 115 H VAL 16 H VAL 16 -6.556 -10.225 6.810 116 HA VAL 16 HA VAL 16 -7.419 -7.741 5.893 117 HB VAL 16 HB VAL 16 -8.387 -9.534 8.125 118 1HG1 VAL 16 1HG1 VAL 16 -10.567 -8.308 7.842 119 2HG1 VAL 16 2HG1 VAL 16 -9.264 -7.350 8.585 120 3HG1 VAL 16 3HG1 VAL 16 -9.691 -7.097 6.875 121 1HG2 VAL 16 1HG2 VAL 16 -9.949 -9.273 5.635 122 2HG2 VAL 16 2HG2 VAL 16 -8.346 -10.020 5.430 123 3HG2 VAL 16 3HG2 VAL 16 -9.515 -10.721 6.575 124 H MET 17 H MET 17 -6.066 -8.795 9.076 125 HA MET 17 HA MET 17 -6.447 -6.407 10.379 126 1HB MET 17 1HB MET 17 -4.603 -8.786 10.622 127 2HB MET 17 2HB MET 17 -4.159 -7.365 11.546 128 1HG MET 17 1HG MET 17 -7.043 -8.149 11.718 129 2HG MET 17 2HG MET 17 -5.915 -9.278 12.440 130 1HE MET 17 1HE MET 17 -8.019 -8.171 13.765 131 2HE MET 17 2HE MET 17 -7.271 -7.856 15.349 132 3HE MET 17 3HE MET 17 -7.990 -6.517 14.423 133 H ASP 18 H ASP 18 -3.655 -7.565 8.389 134 HA ASP 18 HA ASP 18 -1.996 -5.441 8.942 135 1HB ASP 18 1HB ASP 18 -1.770 -7.742 7.518 136 2HB ASP 18 2HB ASP 18 -1.989 -6.633 6.179 137 H VAL 19 H VAL 19 -4.802 -5.827 6.807 138 HA VAL 19 HA VAL 19 -4.159 -3.560 5.165 139 HB VAL 19 HB VAL 19 -6.498 -5.440 5.420 140 1HG1 VAL 19 1HG1 VAL 19 -7.487 -3.306 4.882 141 2HG1 VAL 19 2HG1 VAL 19 -6.262 -3.003 3.627 142 3HG1 VAL 19 3HG1 VAL 19 -7.456 -4.305 3.409 143 1HG2 VAL 19 1HG2 VAL 19 -5.813 -6.253 3.277 144 2HG2 VAL 19 2HG2 VAL 19 -4.652 -4.919 3.072 145 3HG2 VAL 19 3HG2 VAL 19 -4.359 -6.173 4.301 146 H VAL 20 H VAL 20 -5.970 -4.280 8.132 147 HA VAL 20 HA VAL 20 -7.508 -1.915 8.134 148 HB VAL 20 HB VAL 20 -6.686 -3.969 10.163 149 1HG1 VAL 20 1HG1 VAL 20 -8.009 -1.310 10.682 150 2HG1 VAL 20 2HG1 VAL 20 -8.392 -2.729 11.686 151 3HG1 VAL 20 3HG1 VAL 20 -6.719 -2.129 11.596 152 1HG2 VAL 20 1HG2 VAL 20 -9.337 -3.128 8.946 153 2HG2 VAL 20 2HG2 VAL 20 -8.430 -4.625 8.625 154 3HG2 VAL 20 3HG2 VAL 20 -9.154 -4.349 10.228 155 H GLU 21 H GLU 21 -4.207 -2.783 9.206 156 HA GLU 21 HA GLU 21 -3.784 -0.453 10.677 157 1HB GLU 21 1HB GLU 21 -1.989 -2.523 9.393 158 2HB GLU 21 2HB GLU 21 -1.280 -1.083 10.097 159 1HG GLU 21 1HG GLU 21 -3.254 -2.808 11.647 160 2HG GLU 21 2HG GLU 21 -1.539 -3.168 11.630 161 H LEU 22 H LEU 22 -3.025 -1.368 7.252 162 HA LEU 22 HA LEU 22 -1.794 0.990 6.509 163 1HB LEU 22 1HB LEU 22 -1.869 -1.119 5.224 164 2HB LEU 22 2HB LEU 22 -3.554 -0.820 4.847 165 HG LEU 22 HG LEU 22 -2.652 1.436 3.848 166 1HD1 LEU 22 1HD1 LEU 22 -0.185 -0.190 3.322 167 2HD1 LEU 22 2HD1 LEU 22 -0.443 1.567 3.198 168 3HD1 LEU 22 3HD1 LEU 22 -0.303 0.799 4.798 169 1HD2 LEU 22 1HD2 LEU 22 -3.721 -0.544 2.673 170 2HD2 LEU 22 2HD2 LEU 22 -2.626 0.464 1.698 171 3HD2 LEU 22 3HD2 LEU 22 -2.069 -1.106 2.324 172 H ILE 23 H ILE 23 -5.286 0.085 6.024 173 HA ILE 23 HA ILE 23 -6.122 2.475 5.024 174 HB ILE 23 HB ILE 23 -7.477 0.380 6.695 175 1HG1 ILE 23 1HG1 ILE 23 -7.841 1.151 3.787 176 2HG1 ILE 23 2HG1 ILE 23 -6.727 -0.086 4.334 177 1HG2 ILE 23 1HG2 ILE 23 -8.619 2.460 7.221 178 2HG2 ILE 23 2HG2 ILE 23 -8.776 2.839 5.489 179 3HG2 ILE 23 3HG2 ILE 23 -9.635 1.439 6.176 180 1HD1 ILE 23 1HD1 ILE 23 -9.757 -0.065 4.548 181 2HD1 ILE 23 2HD1 ILE 23 -8.708 -1.283 3.785 182 3HD1 ILE 23 3HD1 ILE 23 -8.765 -1.144 5.558 183 H SER 24 H SER 24 -5.415 1.581 8.412 184 HA SER 24 HA SER 24 -6.662 3.863 9.479 185 1HB SER 24 1HB SER 24 -4.845 1.693 10.495 186 2HB SER 24 2HB SER 24 -4.970 3.151 11.459 187 HG SER 24 HG SER 24 -6.580 1.727 12.176 188 H ALA 25 H ALA 25 -3.332 3.006 8.430 189 HA ALA 25 HA ALA 25 -2.010 5.198 9.518 190 1HB ALA 25 1HB ALA 25 -0.594 3.532 8.758 191 2HB ALA 25 2HB ALA 25 -1.547 3.245 7.282 192 3HB ALA 25 3HB ALA 25 -0.492 4.673 7.396 193 H MET 26 H MET 26 -3.297 4.712 6.149 194 HA MET 26 HA MET 26 -2.699 7.205 5.234 195 1HB MET 26 1HB MET 26 -4.999 5.280 4.621 196 2HB MET 26 2HB MET 26 -4.758 6.741 3.684 197 1HG MET 26 1HG MET 26 -2.512 6.008 3.002 198 2HG MET 26 2HG MET 26 -2.588 4.627 4.078 199 1HE MET 26 1HE MET 26 -3.954 6.453 1.098 200 2HE MET 26 2HE MET 26 -4.912 5.264 0.183 201 3HE MET 26 3HE MET 26 -5.586 6.008 1.653 202 H GLU 27 H GLU 27 -5.675 6.075 6.954 203 HA GLU 27 HA GLU 27 -7.227 8.253 6.656 204 1HB GLU 27 1HB GLU 27 -6.918 6.144 8.742 205 2HB GLU 27 2HB GLU 27 -7.802 7.569 9.250 206 1HG GLU 27 1HG GLU 27 -9.293 7.341 7.238 207 2HG GLU 27 2HG GLU 27 -8.425 5.892 6.772 208 H GLU 28 H GLU 28 -4.546 7.765 9.024 209 HA GLU 28 HA GLU 28 -5.105 10.264 10.269 210 1HB GLU 28 1HB GLU 28 -4.136 8.127 11.368 211 2HB GLU 28 2HB GLU 28 -2.606 8.571 10.638 212 1HG GLU 28 1HG GLU 28 -3.276 10.971 11.766 213 2HG GLU 28 2HG GLU 28 -4.099 9.892 12.875 214 H LYS 29 H LYS 29 -2.586 8.893 8.068 215 HA LYS 29 HA LYS 29 -0.898 11.090 8.062 216 1HB LYS 29 1HB LYS 29 -0.228 8.925 7.213 217 2HB LYS 29 2HB LYS 29 -1.439 8.987 5.948 218 1HG LYS 29 1HG LYS 29 0.329 11.366 5.978 219 2HG LYS 29 2HG LYS 29 1.200 9.868 5.715 220 1HD LYS 29 1HD LYS 29 -0.308 9.285 3.833 221 2HD LYS 29 2HD LYS 29 -1.265 10.724 4.124 222 1HE LYS 29 1HE LYS 29 1.674 11.172 3.747 223 2HE LYS 29 2HE LYS 29 0.800 10.622 2.331 224 1HZ LYS 29 1HZ LYS 29 0.376 12.795 2.160 225 2HZ LYS 29 2HZ LYS 29 -0.834 12.487 3.212 226 3HZ LYS 29 3HZ LYS 29 0.576 13.111 3.750 227 H PHE 30 H PHE 30 -3.344 10.209 5.515 228 HA PHE 30 HA PHE 30 -3.196 12.812 4.394 229 1HB PHE 30 1HB PHE 30 -5.063 10.384 4.158 230 2HB PHE 30 2HB PHE 30 -5.284 11.809 3.162 231 HD1 PHE 30 1HD PHE 30 -3.422 12.484 1.587 232 HD2 PHE 30 2HD PHE 30 -3.474 8.739 3.582 233 HE1 PHE 30 1HE PHE 30 -1.781 11.574 -0.079 234 HE2 PHE 30 2HE PHE 30 -1.832 7.829 1.916 235 HZ PHE 30 HZ PHE 30 -1.005 9.257 0.105 236 H GLY 31 H GLY 31 -4.539 11.767 7.275 237 1HA GLY 31 1HA GLY 31 -6.192 12.507 8.621 238 2HA GLY 31 2HA GLY 31 -5.787 14.078 7.960 239 H VAL 32 H VAL 32 -7.414 11.113 6.609 240 HA VAL 32 HA VAL 32 -9.739 12.815 6.058 241 HB VAL 32 HB VAL 32 -8.326 10.888 4.214 242 1HG1 VAL 32 1HG1 VAL 32 -10.452 10.264 3.665 243 2HG1 VAL 32 2HG1 VAL 32 -11.173 11.780 4.256 244 3HG1 VAL 32 3HG1 VAL 32 -10.349 11.741 2.678 245 1HG2 VAL 32 1HG2 VAL 32 -7.622 12.690 3.065 246 2HG2 VAL 32 2HG2 VAL 32 -9.188 13.521 3.221 247 3HG2 VAL 32 3HG2 VAL 32 -8.003 13.600 4.547 248 H SER 33 H SER 33 -10.106 11.736 8.314 249 HA SER 33 HA SER 33 -11.130 9.047 7.872 250 1HB SER 33 1HB SER 33 -11.130 8.894 10.388 251 2HB SER 33 2HB SER 33 -9.537 9.125 9.693 252 HG SER 33 HG SER 33 -9.742 10.558 11.444 253 H ALA 34 H ALA 34 -13.295 8.516 8.723 254 HA ALA 34 HA ALA 34 -15.457 8.898 8.989 255 1HB ALA 34 1HB ALA 34 -16.056 10.963 10.400 256 2HB ALA 34 2HB ALA 34 -14.950 9.780 11.139 257 3HB ALA 34 3HB ALA 34 -14.307 11.293 10.455 258 H ALA 35 H ALA 35 -15.993 9.043 6.777 259 HA ALA 35 HA ALA 35 -16.908 11.634 5.972 260 1HB ALA 35 1HB ALA 35 -14.463 11.662 5.364 261 2HB ALA 35 2HB ALA 35 -14.763 10.266 4.301 262 3HB ALA 35 3HB ALA 35 -15.557 11.824 3.970 263 H ALA 36 H ALA 36 -18.914 10.426 6.134 264 HA ALA 36 HA ALA 36 -19.738 9.345 3.701 265 1HB ALA 36 1HB ALA 36 -18.261 7.491 5.179 266 2HB ALA 36 2HB ALA 36 -19.953 7.083 5.550 267 3HB ALA 36 3HB ALA 36 -19.396 7.122 3.860 268 H ALA 37 H ALA 37 -21.837 9.963 3.652 269 HA ALA 37 HA ALA 37 -23.136 10.756 6.048 270 1HB ALA 37 1HB ALA 37 -25.100 10.950 4.334 271 2HB ALA 37 2HB ALA 37 -23.684 12.012 4.143 272 3HB ALA 37 3HB ALA 37 -23.857 10.567 3.118 273 1H SER 1 H SER 1 10.481 -4.303 -1.343 274 HA SER 1 HA SER 1 10.384 -4.399 1.536 275 1HB SER 1 1HB SER 1 11.535 -2.083 -0.062 276 2HB SER 1 2HB SER 1 10.861 -1.841 1.537 277 HG SER 1 HG SER 1 12.721 -3.969 1.273 278 H ILE 2 H ILE 2 8.159 -5.085 0.776 279 HA ILE 2 HA ILE 2 6.589 -2.829 -0.228 280 HB ILE 2 HB ILE 2 5.743 -5.711 0.021 281 1HG1 ILE 2 1HG1 ILE 2 7.037 -4.348 -2.360 282 2HG1 ILE 2 2HG1 ILE 2 7.774 -5.586 -1.362 283 1HG2 ILE 2 1HG2 ILE 2 4.642 -3.934 -2.069 284 2HG2 ILE 2 2HG2 ILE 2 3.838 -5.135 -1.030 285 3HG2 ILE 2 3HG2 ILE 2 4.211 -3.516 -0.393 286 1HD1 ILE 2 1HD1 ILE 2 6.200 -7.257 -2.071 287 2HD1 ILE 2 2HD1 ILE 2 5.117 -6.035 -2.781 288 3HD1 ILE 2 3HD1 ILE 2 6.684 -6.389 -3.548 289 H THR 3 H THR 3 7.246 -2.079 2.164 290 HA THR 3 HA THR 3 5.594 -3.275 4.202 291 HB THR 3 HB THR 3 6.658 -1.415 5.566 292 HG1 THR 3 1HG THR 3 8.260 -0.172 4.258 293 1HG2 THR 3 1HG2 THR 3 8.444 -3.123 3.770 294 2HG2 THR 3 2HG2 THR 3 9.114 -2.054 5.026 295 3HG2 THR 3 3HG2 THR 3 8.039 -3.398 5.481 296 H LYS 4 H LYS 4 4.016 -2.040 5.482 297 HA LYS 4 HA LYS 4 2.022 -0.989 3.884 298 1HB LYS 4 1HB LYS 4 2.585 -1.137 6.807 299 2HB LYS 4 2HB LYS 4 1.363 0.008 6.291 300 1HG LYS 4 1HG LYS 4 0.073 -1.927 6.558 301 2HG LYS 4 2HG LYS 4 0.440 -2.006 4.846 302 1HD LYS 4 1HD LYS 4 2.554 -3.256 6.473 303 2HD LYS 4 2HD LYS 4 0.991 -3.992 6.765 304 1HE LYS 4 1HE LYS 4 0.680 -4.341 4.314 305 2HE LYS 4 2HE LYS 4 2.220 -3.567 3.998 306 1HZ LYS 4 1HZ LYS 4 2.010 -5.900 5.757 307 2HZ LYS 4 2HZ LYS 4 2.207 -6.051 4.143 308 3HZ LYS 4 3HZ LYS 4 3.347 -5.298 5.037 309 H ASP 5 H ASP 5 4.649 0.639 5.740 310 HA ASP 5 HA ASP 5 3.696 3.188 5.504 311 1HB ASP 5 1HB ASP 5 6.452 1.968 5.754 312 2HB ASP 5 2HB ASP 5 6.327 3.694 5.479 313 H GLN 6 H GLN 6 5.781 1.192 3.320 314 HA GLN 6 HA GLN 6 6.474 3.189 1.560 315 1HB GLN 6 1HB GLN 6 6.492 0.237 1.617 316 2HB GLN 6 2HB GLN 6 6.322 0.880 -0.004 317 1HG GLN 6 1HG GLN 6 8.704 0.640 0.499 318 2HG GLN 6 2HG GLN 6 8.324 2.346 0.378 319 1HE2 GLN 6 1HE2 GLN 6 10.051 0.208 2.054 320 2HE2 GLN 6 2HE2 GLN 6 10.152 0.967 3.608 321 H ILE 7 H ILE 7 3.454 1.410 1.993 322 HA ILE 7 HA ILE 7 2.466 2.028 -0.627 323 HB ILE 7 HB ILE 7 1.270 0.798 1.848 324 1HG1 ILE 7 1HG1 ILE 7 1.632 -0.495 -0.848 325 2HG1 ILE 7 2HG1 ILE 7 2.972 -0.393 0.276 326 1HG2 ILE 7 1HG2 ILE 7 -0.070 1.562 -0.744 327 2HG2 ILE 7 2HG2 ILE 7 -0.671 0.237 0.280 328 3HG2 ILE 7 3HG2 ILE 7 -0.588 1.893 0.926 329 1HD1 ILE 7 1HD1 ILE 7 1.244 -2.460 0.299 330 2HD1 ILE 7 2HD1 ILE 7 2.012 -1.863 1.790 331 3HD1 ILE 7 3HD1 ILE 7 0.353 -1.364 1.381 332 H ILE 8 H ILE 8 2.475 3.479 2.608 333 HA ILE 8 HA ILE 8 0.291 5.172 2.306 334 HB ILE 8 HB ILE 8 2.842 5.561 3.875 335 1HG1 ILE 8 1HG1 ILE 8 1.778 3.451 4.432 336 2HG1 ILE 8 2HG1 ILE 8 1.596 4.592 5.750 337 1HG2 ILE 8 1HG2 ILE 8 0.209 7.014 3.865 338 2HG2 ILE 8 2HG2 ILE 8 1.191 6.912 5.346 339 3HG2 ILE 8 3HG2 ILE 8 1.866 7.665 3.882 340 1HD1 ILE 8 1HD1 ILE 8 -0.709 5.156 4.914 341 2HD1 ILE 8 2HD1 ILE 8 -0.518 3.913 3.654 342 3HD1 ILE 8 3HD1 ILE 8 -0.537 3.445 5.371 343 H GLU 9 H GLU 9 3.798 5.674 1.535 344 HA GLU 9 HA GLU 9 3.293 8.261 0.536 345 1HB GLU 9 1HB GLU 9 5.649 8.260 -0.079 346 2HB GLU 9 2HB GLU 9 5.483 7.519 1.501 347 1HG GLU 9 1HG GLU 9 5.541 5.249 0.438 348 2HG GLU 9 2HG GLU 9 5.720 5.995 -1.138 349 H ALA 10 H ALA 10 2.773 5.097 -0.693 350 HA ALA 10 HA ALA 10 3.375 5.639 -3.427 351 1HB ALA 10 1HB ALA 10 3.388 3.377 -2.295 352 2HB ALA 10 2HB ALA 10 1.611 3.466 -2.237 353 3HB ALA 10 3HB ALA 10 2.451 3.443 -3.807 354 H VAL 11 H VAL 11 0.550 5.926 -1.261 355 HA VAL 11 HA VAL 11 -1.249 6.426 -3.441 356 HB VAL 11 HB VAL 11 -1.423 6.503 -0.436 357 1HG1 VAL 11 1HG1 VAL 11 -4.002 6.762 -1.082 358 2HG1 VAL 11 2HG1 VAL 11 -2.954 8.168 -0.780 359 3HG1 VAL 11 3HG1 VAL 11 -3.302 7.661 -2.450 360 1HG2 VAL 11 1HG2 VAL 11 -1.566 4.406 -2.165 361 2HG2 VAL 11 2HG2 VAL 11 -2.388 4.463 -0.587 362 3HG2 VAL 11 3HG2 VAL 11 -3.281 4.875 -2.071 363 H ALA 12 H ALA 12 0.926 8.248 -1.335 364 HA ALA 12 HA ALA 12 -0.342 10.763 -1.984 365 1HB ALA 12 1HB ALA 12 2.262 11.018 -0.768 366 2HB ALA 12 2HB ALA 12 0.663 11.373 -0.071 367 3HB ALA 12 3HB ALA 12 1.349 9.737 0.065 368 H ALA 13 H ALA 13 1.409 8.606 -3.749 369 HA ALA 13 HA ALA 13 3.178 10.597 -4.943 370 1HB ALA 13 1HB ALA 13 4.108 8.611 -6.131 371 2HB ALA 13 2HB ALA 13 4.156 8.433 -4.360 372 3HB ALA 13 3HB ALA 13 2.910 7.585 -5.306 373 H MET 14 H MET 14 0.143 8.859 -5.401 374 HA MET 14 HA MET 14 0.110 9.632 -8.193 375 1HB MET 14 1HB MET 14 -1.892 7.998 -6.535 376 2HB MET 14 2HB MET 14 -1.918 8.163 -8.279 377 1HG MET 14 1HG MET 14 0.587 7.235 -8.093 378 2HG MET 14 2HG MET 14 0.028 6.622 -6.550 379 1HE MET 14 1HE MET 14 -1.360 5.117 -6.050 380 2HE MET 14 2HE MET 14 -2.880 4.865 -6.941 381 3HE MET 14 3HE MET 14 -1.575 3.660 -7.049 382 H SER 15 H SER 15 -2.196 10.406 -8.991 383 HA SER 15 HA SER 15 -2.670 12.792 -7.538 384 1HB SER 15 1HB SER 15 -4.614 12.781 -9.460 385 2HB SER 15 2HB SER 15 -2.969 13.316 -9.739 386 HG SER 15 HG SER 15 -3.420 11.817 -11.354 387 H VAL 16 H VAL 16 -4.945 13.508 -6.921 388 HA VAL 16 HA VAL 16 -6.087 11.731 -5.142 389 HB VAL 16 HB VAL 16 -7.235 14.168 -6.516 390 1HG1 VAL 16 1HG1 VAL 16 -8.173 12.767 -3.990 391 2HG1 VAL 16 2HG1 VAL 16 -8.815 14.293 -4.644 392 3HG1 VAL 16 3HG1 VAL 16 -9.019 12.777 -5.556 393 1HG2 VAL 16 1HG2 VAL 16 -6.656 15.103 -4.127 394 2HG2 VAL 16 2HG2 VAL 16 -5.508 13.743 -4.094 395 3HG2 VAL 16 3HG2 VAL 16 -5.392 14.974 -5.374 396 H MET 17 H MET 17 -6.979 12.539 -8.549 397 HA MET 17 HA MET 17 -9.319 11.133 -8.643 398 1HB MET 17 1HB MET 17 -7.196 11.998 -10.605 399 2HB MET 17 2HB MET 17 -8.346 10.812 -11.189 400 1HG MET 17 1HG MET 17 -10.206 12.271 -10.887 401 2HG MET 17 2HG MET 17 -9.343 13.297 -9.758 402 1HE MET 17 1HE MET 17 -8.198 15.855 -11.007 403 2HE MET 17 2HE MET 17 -7.426 14.494 -10.157 404 3HE MET 17 3HE MET 17 -6.758 15.073 -11.703 405 H ASP 18 H ASP 18 -5.936 9.999 -9.245 406 HA ASP 18 HA ASP 18 -6.620 7.496 -10.159 407 1HB ASP 18 1HB ASP 18 -4.328 8.676 -10.150 408 2HB ASP 18 2HB ASP 18 -4.166 8.174 -8.479 409 H VAL 19 H VAL 19 -6.557 8.942 -6.934 410 HA VAL 19 HA VAL 19 -6.402 6.415 -5.560 411 HB VAL 19 HB VAL 19 -6.789 9.278 -4.684 412 1HG1 VAL 19 1HG1 VAL 19 -7.949 8.000 -3.047 413 2HG1 VAL 19 2HG1 VAL 19 -6.692 6.740 -3.033 414 3HG1 VAL 19 3HG1 VAL 19 -6.345 8.351 -2.361 415 1HG2 VAL 19 1HG2 VAL 19 -4.550 8.673 -5.551 416 2HG2 VAL 19 2HG2 VAL 19 -4.522 9.080 -3.819 417 3HG2 VAL 19 3HG2 VAL 19 -4.446 7.378 -4.335 418 H VAL 20 H VAL 20 -8.846 8.691 -6.756 419 HA VAL 20 HA VAL 20 -10.980 7.656 -5.213 420 HB VAL 20 HB VAL 20 -10.833 9.220 -7.793 421 1HG1 VAL 20 1HG1 VAL 20 -12.998 8.805 -8.129 422 2HG1 VAL 20 2HG1 VAL 20 -13.087 7.837 -6.638 423 3HG1 VAL 20 3HG1 VAL 20 -13.356 9.595 -6.575 424 1HG2 VAL 20 1HG2 VAL 20 -11.091 11.143 -6.529 425 2HG2 VAL 20 2HG2 VAL 20 -11.824 10.275 -5.158 426 3HG2 VAL 20 3HG2 VAL 20 -10.074 10.148 -5.459 427 H GLU 21 H GLU 21 -9.614 6.946 -8.477 428 HA GLU 21 HA GLU 21 -11.575 5.061 -9.112 429 1HB GLU 21 1HB GLU 21 -8.780 5.635 -10.140 430 2HB GLU 21 2HB GLU 21 -9.691 4.271 -10.756 431 1HG GLU 21 1HG GLU 21 -11.583 5.835 -11.340 432 2HG GLU 21 2HG GLU 21 -10.611 7.185 -10.788 433 H LEU 22 H LEU 22 -8.298 4.832 -7.608 434 HA LEU 22 HA LEU 22 -8.099 2.086 -7.501 435 1HB LEU 22 1HB LEU 22 -6.331 3.749 -6.999 436 2HB LEU 22 2HB LEU 22 -7.120 4.101 -5.475 437 HG LEU 22 HG LEU 22 -6.385 1.258 -6.034 438 1HD1 LEU 22 1HD1 LEU 22 -4.357 2.240 -6.739 439 2HD1 LEU 22 2HD1 LEU 22 -4.396 3.452 -5.437 440 3HD1 LEU 22 3HD1 LEU 22 -4.096 1.741 -5.051 441 1HD2 LEU 22 1HD2 LEU 22 -5.687 2.279 -3.433 442 2HD2 LEU 22 2HD2 LEU 22 -7.360 2.729 -3.840 443 3HD2 LEU 22 3HD2 LEU 22 -6.862 1.020 -3.882 444 H ILE 23 H ILE 23 -9.279 4.279 -4.847 445 HA ILE 23 HA ILE 23 -10.119 2.329 -3.140 446 HB ILE 23 HB ILE 23 -11.084 5.119 -3.686 447 1HG1 ILE 23 1HG1 ILE 23 -8.809 4.650 -2.689 448 2HG1 ILE 23 2HG1 ILE 23 -9.852 5.710 -1.763 449 1HG2 ILE 23 1HG2 ILE 23 -12.204 4.804 -1.346 450 2HG2 ILE 23 2HG2 ILE 23 -13.062 4.307 -2.825 451 3HG2 ILE 23 3HG2 ILE 23 -12.251 3.087 -1.814 452 1HD1 ILE 23 1HD1 ILE 23 -8.570 3.472 -0.756 453 2HD1 ILE 23 2HD1 ILE 23 -9.988 4.250 -0.013 454 3HD1 ILE 23 3HD1 ILE 23 -10.204 2.847 -1.086 455 H SER 24 H SER 24 -12.009 3.883 -5.817 456 HA SER 24 HA SER 24 -14.356 2.581 -5.329 457 1HB SER 24 1HB SER 24 -13.073 3.861 -7.715 458 2HB SER 24 2HB SER 24 -14.452 2.828 -8.038 459 HG SER 24 HG SER 24 -15.302 4.871 -7.676 460 H ALA 25 H ALA 25 -11.411 1.507 -7.067 461 HA ALA 25 HA ALA 25 -12.510 -0.721 -8.337 462 1HB ALA 25 1HB ALA 25 -10.179 0.520 -8.511 463 2HB ALA 25 2HB ALA 25 -9.683 -0.688 -7.302 464 3HB ALA 25 3HB ALA 25 -10.306 -1.216 -8.883 465 H MET 26 H MET 26 -10.444 -0.658 -5.339 466 HA MET 26 HA MET 26 -10.816 -3.252 -4.668 467 1HB MET 26 1HB MET 26 -10.481 -0.741 -2.945 468 2HB MET 26 2HB MET 26 -10.408 -2.350 -2.254 469 1HG MET 26 1HG MET 26 -8.491 -2.941 -3.677 470 2HG MET 26 2HG MET 26 -8.628 -1.436 -4.564 471 1HE MET 26 1HE MET 26 -8.107 -3.118 -1.191 472 2HE MET 26 2HE MET 26 -7.390 -1.863 -0.152 473 3HE MET 26 3HE MET 26 -9.118 -1.790 -0.572 474 H GLU 27 H GLU 27 -12.937 -0.433 -3.956 475 HA GLU 27 HA GLU 27 -14.556 -1.547 -2.091 476 1HB GLU 27 1HB GLU 27 -14.854 0.568 -4.181 477 2HB GLU 27 2HB GLU 27 -16.350 -0.044 -3.505 478 1HG GLU 27 1HG GLU 27 -15.421 0.379 -1.185 479 2HG GLU 27 2HG GLU 27 -14.001 1.096 -1.919 480 H GLU 28 H GLU 28 -14.681 -1.890 -5.680 481 HA GLU 28 HA GLU 28 -17.071 -3.424 -5.534 482 1HB GLU 28 1HB GLU 28 -16.272 -1.892 -7.468 483 2HB GLU 28 2HB GLU 28 -15.207 -3.206 -7.926 484 1HG GLU 28 1HG GLU 28 -17.514 -4.621 -7.671 485 2HG GLU 28 2HG GLU 28 -18.206 -3.056 -8.050 486 H LYS 29 H LYS 29 -13.560 -4.050 -6.149 487 HA LYS 29 HA LYS 29 -13.773 -6.730 -6.776 488 1HB LYS 29 1HB LYS 29 -11.751 -5.472 -7.162 489 2HB LYS 29 2HB LYS 29 -11.546 -5.162 -5.450 490 1HG LYS 29 1HG LYS 29 -10.151 -6.996 -5.609 491 2HG LYS 29 2HG LYS 29 -11.649 -7.858 -5.325 492 1HD LYS 29 1HD LYS 29 -11.970 -8.014 -7.842 493 2HD LYS 29 2HD LYS 29 -10.389 -7.286 -8.048 494 1HE LYS 29 1HE LYS 29 -9.381 -9.295 -7.740 495 2HE LYS 29 2HE LYS 29 -10.123 -9.460 -6.162 496 1HZ LYS 29 1HZ LYS 29 -11.883 -10.599 -7.039 497 2HZ LYS 29 2HZ LYS 29 -11.707 -9.996 -8.547 498 3HZ LYS 29 3HZ LYS 29 -10.672 -11.133 -7.996 499 H PHE 30 H PHE 30 -12.815 -5.357 -3.544 500 HA PHE 30 HA PHE 30 -13.261 -7.871 -2.300 501 1HB PHE 30 1HB PHE 30 -12.786 -4.976 -1.392 502 2HB PHE 30 2HB PHE 30 -12.935 -6.281 -0.232 503 HD1 PHE 30 1HD PHE 30 -11.220 -8.072 -0.160 504 HD2 PHE 30 2HD PHE 30 -10.782 -4.671 -2.661 505 HE1 PHE 30 1HE PHE 30 -8.771 -8.565 -0.402 506 HE2 PHE 30 2HE PHE 30 -8.333 -5.164 -2.902 507 HZ PHE 30 HZ PHE 30 -7.356 -7.105 -1.770 508 H GLY 31 H GLY 31 -15.425 -5.605 -3.497 509 1HA GLY 31 1HA GLY 31 -17.578 -5.094 -3.077 510 2HA GLY 31 2HA GLY 31 -17.697 -6.741 -2.490 511 H VAL 32 H VAL 32 -16.131 -3.675 -1.295 512 HA VAL 32 HA VAL 32 -17.650 -4.054 1.190 513 HB VAL 32 HB VAL 32 -14.756 -3.263 0.830 514 1HG1 VAL 32 1HG1 VAL 32 -14.962 -3.332 3.478 515 2HG1 VAL 32 2HG1 VAL 32 -15.297 -1.848 2.554 516 3HG1 VAL 32 3HG1 VAL 32 -16.642 -2.866 3.120 517 1HG2 VAL 32 1HG2 VAL 32 -14.207 -5.343 1.464 518 2HG2 VAL 32 2HG2 VAL 32 -15.423 -5.362 2.764 519 3HG2 VAL 32 3HG2 VAL 32 -15.895 -5.772 1.097 520 H SER 33 H SER 33 -19.086 -2.650 -0.364 521 HA SER 33 HA SER 33 -18.187 0.111 -0.171 522 1HB SER 33 1HB SER 33 -18.900 -0.934 -2.426 523 2HB SER 33 2HB SER 33 -20.537 -0.929 -1.801 524 HG SER 33 HG SER 33 -20.155 1.453 -1.384 525 H ALA 34 H ALA 34 -18.737 0.002 2.204 526 HA ALA 34 HA ALA 34 -21.638 0.302 2.582 527 1HB ALA 34 1HB ALA 34 -20.945 -1.747 3.646 528 2HB ALA 34 2HB ALA 34 -19.534 -0.952 4.385 529 3HB ALA 34 3HB ALA 34 -21.176 -0.533 4.927 530 H ALA 35 H ALA 35 -20.796 2.575 1.801 531 HA ALA 35 HA ALA 35 -20.873 4.275 3.999 532 1HB ALA 35 1HB ALA 35 -18.731 4.238 4.702 533 2HB ALA 35 2HB ALA 35 -18.207 3.290 3.290 534 3HB ALA 35 3HB ALA 35 -18.319 5.063 3.180 535 H ALA 36 H ALA 36 -22.566 4.715 2.285 536 HA ALA 36 HA ALA 36 -23.387 5.998 0.682 537 1HB ALA 36 1HB ALA 36 -21.699 7.977 0.005 538 2HB ALA 36 2HB ALA 36 -22.592 7.977 1.545 539 3HB ALA 36 3HB ALA 36 -20.895 7.442 1.499 540 H ALA 37 H ALA 37 -23.351 6.354 -1.658 541 HA ALA 37 HA ALA 37 -21.816 4.327 -2.965 542 1HB ALA 37 1HB ALA 37 -23.704 6.462 -4.040 543 2HB ALA 37 2HB ALA 37 -23.100 5.052 -4.944 544 3HB ALA 37 3HB ALA 37 -24.168 4.819 -3.539 Start of MODEL 14 1 1H SER 1 H SER 1 5.801 -2.077 -14.989 2 HA SER 1 HA SER 1 3.595 -2.051 -14.873 3 1HB SER 1 1HB SER 1 4.256 -4.651 -13.422 4 2HB SER 1 2HB SER 1 2.676 -4.277 -14.082 5 HG SER 1 HG SER 1 3.715 -5.444 -15.682 6 H ILE 2 H ILE 2 3.658 -0.139 -13.307 7 HA ILE 2 HA ILE 2 2.763 -0.935 -10.633 8 HB ILE 2 HB ILE 2 3.679 1.791 -11.533 9 1HG1 ILE 2 1HG1 ILE 2 5.334 -0.473 -10.382 10 2HG1 ILE 2 2HG1 ILE 2 5.495 0.239 -11.975 11 1HG2 ILE 2 1HG2 ILE 2 3.694 0.627 -8.749 12 2HG2 ILE 2 2HG2 ILE 2 3.837 2.328 -9.251 13 3HG2 ILE 2 3HG2 ILE 2 2.283 1.478 -9.421 14 1HD1 ILE 2 1HD1 ILE 2 5.945 2.482 -10.833 15 2HD1 ILE 2 2HD1 ILE 2 6.019 1.591 -9.294 16 3HD1 ILE 2 3HD1 ILE 2 7.196 1.241 -10.583 17 H THR 3 H THR 3 0.775 -1.560 -12.161 18 HA THR 3 HA THR 3 -0.873 0.769 -12.725 19 HB THR 3 HB THR 3 -2.368 -1.008 -13.711 20 HG1 THR 3 1HG THR 3 -1.462 -3.199 -13.548 21 1HG2 THR 3 1HG2 THR 3 -1.029 -1.455 -15.581 22 2HG2 THR 3 2HG2 THR 3 -0.082 -0.133 -14.858 23 3HG2 THR 3 3HG2 THR 3 0.402 -1.825 -14.590 24 H LYS 4 H LYS 4 -3.124 0.891 -11.945 25 HA LYS 4 HA LYS 4 -3.168 0.775 -9.155 26 1HB LYS 4 1HB LYS 4 -5.134 1.385 -11.326 27 2HB LYS 4 2HB LYS 4 -5.756 1.084 -9.716 28 1HG LYS 4 1HG LYS 4 -5.364 3.398 -9.641 29 2HG LYS 4 2HG LYS 4 -3.893 2.770 -8.925 30 1HD LYS 4 1HD LYS 4 -3.910 3.079 -11.914 31 2HD LYS 4 2HD LYS 4 -3.886 4.556 -10.973 32 1HE LYS 4 1HE LYS 4 -1.983 2.933 -9.684 33 2HE LYS 4 2HE LYS 4 -1.746 2.567 -11.382 34 1HZ LYS 4 1HZ LYS 4 -1.924 5.320 -10.388 35 2HZ LYS 4 2HZ LYS 4 -0.507 4.516 -10.500 36 3HZ LYS 4 3HZ LYS 4 -1.383 4.818 -11.844 37 H ASP 5 H ASP 5 -4.516 -1.397 -11.701 38 HA ASP 5 HA ASP 5 -5.999 -2.991 -10.066 39 1HB ASP 5 1HB ASP 5 -4.332 -4.062 -12.377 40 2HB ASP 5 2HB ASP 5 -5.897 -4.637 -11.836 41 H GLN 6 H GLN 6 -2.486 -3.052 -10.905 42 HA GLN 6 HA GLN 6 -1.890 -5.518 -9.849 43 1HB GLN 6 1HB GLN 6 -0.349 -3.020 -10.482 44 2HB GLN 6 2HB GLN 6 0.452 -4.211 -9.476 45 1HG GLN 6 1HG GLN 6 -0.916 -4.997 -12.080 46 2HG GLN 6 2HG GLN 6 0.738 -4.418 -12.056 47 1HE2 GLN 6 1HE2 GLN 6 2.294 -5.532 -10.721 48 2HE2 GLN 6 2HE2 GLN 6 2.149 -7.235 -10.440 49 H ILE 7 H ILE 7 -2.571 -2.430 -8.287 50 HA ILE 7 HA ILE 7 -1.336 -3.175 -5.805 51 HB ILE 7 HB ILE 7 -3.149 -0.890 -6.584 52 1HG1 ILE 7 1HG1 ILE 7 -0.970 -0.901 -7.731 53 2HG1 ILE 7 2HG1 ILE 7 -1.140 0.452 -6.631 54 1HG2 ILE 7 1HG2 ILE 7 -3.484 -1.055 -4.291 55 2HG2 ILE 7 2HG2 ILE 7 -1.817 -1.595 -3.980 56 3HG2 ILE 7 3HG2 ILE 7 -2.136 0.100 -4.421 57 1HD1 ILE 7 1HD1 ILE 7 0.437 -2.113 -6.169 58 2HD1 ILE 7 2HD1 ILE 7 1.067 -0.452 -6.275 59 3HD1 ILE 7 3HD1 ILE 7 0.090 -0.945 -4.871 60 H ILE 8 H ILE 8 -4.486 -3.476 -7.396 61 HA ILE 8 HA ILE 8 -6.046 -3.808 -5.106 62 HB ILE 8 HB ILE 8 -6.399 -4.911 -7.896 63 1HG1 ILE 8 1HG1 ILE 8 -6.124 -2.470 -7.844 64 2HG1 ILE 8 2HG1 ILE 8 -7.741 -2.942 -8.326 65 1HG2 ILE 8 1HG2 ILE 8 -8.866 -4.804 -7.195 66 2HG2 ILE 8 2HG2 ILE 8 -7.879 -6.148 -6.574 67 3HG2 ILE 8 3HG2 ILE 8 -8.254 -4.760 -5.524 68 1HD1 ILE 8 1HD1 ILE 8 -6.902 -2.021 -5.538 69 2HD1 ILE 8 2HD1 ILE 8 -7.867 -1.094 -6.712 70 3HD1 ILE 8 3HD1 ILE 8 -8.538 -2.569 -5.975 71 H GLU 9 H GLU 9 -4.338 -6.215 -7.212 72 HA GLU 9 HA GLU 9 -5.192 -8.392 -5.690 73 1HB GLU 9 1HB GLU 9 -3.706 -9.694 -7.049 74 2HB GLU 9 2HB GLU 9 -4.322 -8.421 -8.083 75 1HG GLU 9 1HG GLU 9 -2.127 -8.021 -8.572 76 2HG GLU 9 2HG GLU 9 -2.088 -7.188 -7.031 77 H ALA 10 H ALA 10 -2.831 -5.926 -5.120 78 HA ALA 10 HA ALA 10 -1.035 -7.521 -3.576 79 1HB ALA 10 1HB ALA 10 0.126 -5.488 -3.241 80 2HB ALA 10 2HB ALA 10 -0.595 -5.316 -4.859 81 3HB ALA 10 3HB ALA 10 -1.344 -4.509 -3.461 82 H VAL 11 H VAL 11 -3.978 -5.581 -3.013 83 HA VAL 11 HA VAL 11 -3.653 -5.689 -0.157 84 HB VAL 11 HB VAL 11 -5.737 -4.648 -2.060 85 1HG1 VAL 11 1HG1 VAL 11 -6.913 -3.754 -0.003 86 2HG1 VAL 11 2HG1 VAL 11 -7.066 -5.506 -0.274 87 3HG1 VAL 11 3HG1 VAL 11 -5.935 -4.892 0.955 88 1HG2 VAL 11 1HG2 VAL 11 -4.151 -3.009 -1.943 89 2HG2 VAL 11 2HG2 VAL 11 -5.096 -2.567 -0.501 90 3HG2 VAL 11 3HG2 VAL 11 -3.594 -3.505 -0.327 91 H ALA 12 H ALA 12 -4.894 -7.711 -2.704 92 HA ALA 12 HA ALA 12 -6.643 -9.157 -0.893 93 1HB ALA 12 1HB ALA 12 -6.554 -8.659 -3.673 94 2HB ALA 12 2HB ALA 12 -6.203 -10.393 -3.484 95 3HB ALA 12 3HB ALA 12 -7.697 -9.707 -2.801 96 H ALA 13 H ALA 13 -3.373 -8.916 -1.270 97 HA ALA 13 HA ALA 13 -2.915 -11.800 -1.059 98 1HB ALA 13 1HB ALA 13 -0.949 -9.503 -1.427 99 2HB ALA 13 2HB ALA 13 -0.584 -11.242 -1.527 100 3HB ALA 13 3HB ALA 13 -1.631 -10.481 -2.748 101 H MET 14 H MET 14 -3.102 -8.800 0.739 102 HA MET 14 HA MET 14 -1.523 -9.898 2.891 103 1HB MET 14 1HB MET 14 -2.984 -7.216 2.564 104 2HB MET 14 2HB MET 14 -1.918 -7.606 3.899 105 1HG MET 14 1HG MET 14 0.021 -7.579 2.544 106 2HG MET 14 2HG MET 14 -0.874 -7.898 1.072 107 1HE MET 14 1HE MET 14 1.149 -6.111 0.811 108 2HE MET 14 2HE MET 14 0.768 -4.378 0.669 109 3HE MET 14 3HE MET 14 1.252 -5.057 2.242 110 H SER 15 H SER 15 -2.490 -9.489 5.216 111 HA SER 15 HA SER 15 -4.952 -10.911 5.253 112 1HB SER 15 1HB SER 15 -4.496 -10.275 7.873 113 2HB SER 15 2HB SER 15 -3.779 -11.654 7.063 114 HG SER 15 HG SER 15 -2.284 -10.141 8.255 115 H VAL 16 H VAL 16 -6.839 -10.146 6.652 116 HA VAL 16 HA VAL 16 -7.781 -7.710 5.750 117 HB VAL 16 HB VAL 16 -8.546 -9.449 8.098 118 1HG1 VAL 16 1HG1 VAL 16 -10.741 -8.221 8.019 119 2HG1 VAL 16 2HG1 VAL 16 -9.372 -7.257 8.623 120 3HG1 VAL 16 3HG1 VAL 16 -9.964 -7.019 6.962 121 1HG2 VAL 16 1HG2 VAL 16 -9.612 -9.155 5.274 122 2HG2 VAL 16 2HG2 VAL 16 -8.848 -10.584 6.010 123 3HG2 VAL 16 3HG2 VAL 16 -10.453 -10.049 6.563 124 H MET 17 H MET 17 -6.179 -8.599 8.867 125 HA MET 17 HA MET 17 -6.502 -6.155 10.083 126 1HB MET 17 1HB MET 17 -4.656 -8.522 10.316 127 2HB MET 17 2HB MET 17 -4.100 -7.054 11.096 128 1HG MET 17 1HG MET 17 -6.911 -8.145 11.550 129 2HG MET 17 2HG MET 17 -5.549 -8.669 12.520 130 1HE MET 17 1HE MET 17 -7.142 -8.034 14.269 131 2HE MET 17 2HE MET 17 -7.064 -6.458 15.094 132 3HE MET 17 3HE MET 17 -8.266 -6.732 13.810 133 H ASP 18 H ASP 18 -3.873 -7.371 7.921 134 HA ASP 18 HA ASP 18 -2.144 -5.281 8.298 135 1HB ASP 18 1HB ASP 18 -1.660 -7.429 7.080 136 2HB ASP 18 2HB ASP 18 -2.652 -6.880 5.744 137 H VAL 19 H VAL 19 -5.176 -5.554 6.508 138 HA VAL 19 HA VAL 19 -4.632 -3.275 4.824 139 HB VAL 19 HB VAL 19 -7.025 -5.070 5.240 140 1HG1 VAL 19 1HG1 VAL 19 -6.688 -2.759 3.299 141 2HG1 VAL 19 2HG1 VAL 19 -8.000 -3.960 3.242 142 3HG1 VAL 19 3HG1 VAL 19 -7.853 -2.868 4.640 143 1HG2 VAL 19 1HG2 VAL 19 -6.478 -5.857 2.962 144 2HG2 VAL 19 2HG2 VAL 19 -5.051 -4.793 2.948 145 3HG2 VAL 19 3HG2 VAL 19 -5.146 -6.139 4.108 146 H VAL 20 H VAL 20 -6.520 -4.126 7.765 147 HA VAL 20 HA VAL 20 -7.922 -1.733 7.976 148 HB VAL 20 HB VAL 20 -6.995 -3.819 9.937 149 1HG1 VAL 20 1HG1 VAL 20 -8.742 -2.667 11.484 150 2HG1 VAL 20 2HG1 VAL 20 -7.096 -1.996 11.387 151 3HG1 VAL 20 3HG1 VAL 20 -8.426 -1.225 10.490 152 1HG2 VAL 20 1HG2 VAL 20 -8.742 -4.462 8.336 153 2HG2 VAL 20 2HG2 VAL 20 -9.380 -4.400 9.997 154 3HG2 VAL 20 3HG2 VAL 20 -9.736 -3.080 8.857 155 H GLU 21 H GLU 21 -4.600 -2.680 8.948 156 HA GLU 21 HA GLU 21 -4.142 -0.344 10.427 157 1HB GLU 21 1HB GLU 21 -2.334 -2.446 9.189 158 2HB GLU 21 2HB GLU 21 -1.665 -1.057 10.022 159 1HG GLU 21 1HG GLU 21 -3.214 -1.692 12.007 160 2HG GLU 21 2HG GLU 21 -3.486 -3.210 11.175 161 H LEU 22 H LEU 22 -3.490 -1.335 7.017 162 HA LEU 22 HA LEU 22 -1.994 0.852 6.250 163 1HB LEU 22 1HB LEU 22 -2.330 -1.222 4.967 164 2HB LEU 22 2HB LEU 22 -3.981 -0.744 4.627 165 HG LEU 22 HG LEU 22 -2.939 1.371 3.552 166 1HD1 LEU 22 1HD1 LEU 22 -0.702 1.290 2.813 167 2HD1 LEU 22 2HD1 LEU 22 -0.653 0.850 4.538 168 3HD1 LEU 22 3HD1 LEU 22 -0.516 -0.414 3.292 169 1HD2 LEU 22 1HD2 LEU 22 -4.092 -0.420 2.325 170 2HD2 LEU 22 2HD2 LEU 22 -2.719 0.245 1.409 171 3HD2 LEU 22 3HD2 LEU 22 -2.564 -1.329 2.226 172 H ILE 23 H ILE 23 -5.574 0.389 5.780 173 HA ILE 23 HA ILE 23 -6.070 2.924 4.851 174 HB ILE 23 HB ILE 23 -7.646 0.762 6.128 175 1HG1 ILE 23 1HG1 ILE 23 -8.930 0.949 4.043 176 2HG1 ILE 23 2HG1 ILE 23 -7.990 2.349 3.567 177 1HG2 ILE 23 1HG2 ILE 23 -8.631 2.549 7.326 178 2HG2 ILE 23 2HG2 ILE 23 -8.620 3.614 5.900 179 3HG2 ILE 23 3HG2 ILE 23 -9.714 2.211 5.955 180 1HD1 ILE 23 1HD1 ILE 23 -5.927 1.019 3.501 181 2HD1 ILE 23 2HD1 ILE 23 -6.792 -0.401 4.138 182 3HD1 ILE 23 3HD1 ILE 23 -7.175 0.219 2.515 183 H SER 24 H SER 24 -6.008 1.705 8.254 184 HA SER 24 HA SER 24 -6.909 3.999 9.435 185 1HB SER 24 1HB SER 24 -5.164 1.705 10.307 186 2HB SER 24 2HB SER 24 -5.275 3.094 11.369 187 HG SER 24 HG SER 24 -7.382 1.341 10.481 188 H ALA 25 H ALA 25 -3.618 3.064 8.328 189 HA ALA 25 HA ALA 25 -2.212 5.138 9.549 190 1HB ALA 25 1HB ALA 25 -1.513 3.959 6.851 191 2HB ALA 25 2HB ALA 25 -0.429 4.448 8.175 192 3HB ALA 25 3HB ALA 25 -1.419 2.978 8.332 193 H MET 26 H MET 26 -3.261 4.882 6.070 194 HA MET 26 HA MET 26 -2.548 7.383 5.350 195 1HB MET 26 1HB MET 26 -4.907 5.631 4.485 196 2HB MET 26 2HB MET 26 -4.493 7.106 3.634 197 1HG MET 26 1HG MET 26 -2.257 6.240 3.091 198 2HG MET 26 2HG MET 26 -2.509 4.829 4.098 199 1HE MET 26 1HE MET 26 -2.699 3.050 0.724 200 2HE MET 26 2HE MET 26 -1.624 4.426 1.071 201 3HE MET 26 3HE MET 26 -1.932 3.200 2.324 202 H GLU 27 H GLU 27 -5.568 6.324 6.991 203 HA GLU 27 HA GLU 27 -7.078 8.545 6.659 204 1HB GLU 27 1HB GLU 27 -6.866 6.407 8.736 205 2HB GLU 27 2HB GLU 27 -7.747 7.843 9.217 206 1HG GLU 27 1HG GLU 27 -9.161 7.640 7.140 207 2HG GLU 27 2HG GLU 27 -8.307 6.168 6.723 208 H GLU 28 H GLU 28 -4.509 7.934 9.131 209 HA GLU 28 HA GLU 28 -4.949 10.493 10.302 210 1HB GLU 28 1HB GLU 28 -4.149 8.341 11.489 211 2HB GLU 28 2HB GLU 28 -2.577 8.648 10.778 212 1HG GLU 28 1HG GLU 28 -2.890 11.080 11.800 213 2HG GLU 28 2HG GLU 28 -4.081 10.302 12.823 214 H LYS 29 H LYS 29 -2.410 8.909 8.262 215 HA LYS 29 HA LYS 29 -0.565 10.922 8.235 216 1HB LYS 29 1HB LYS 29 -0.129 8.741 7.297 217 2HB LYS 29 2HB LYS 29 -1.353 8.962 6.064 218 1HG LYS 29 1HG LYS 29 0.397 9.679 4.772 219 2HG LYS 29 2HG LYS 29 0.173 11.198 5.616 220 1HD LYS 29 1HD LYS 29 1.890 10.600 7.272 221 2HD LYS 29 2HD LYS 29 2.030 8.985 6.605 222 1HE LYS 29 1HE LYS 29 2.808 9.969 4.425 223 2HE LYS 29 2HE LYS 29 2.702 11.573 5.123 224 1HZ LYS 29 1HZ LYS 29 4.691 9.579 5.505 225 2HZ LYS 29 2HZ LYS 29 4.777 11.192 5.746 226 3HZ LYS 29 3HZ LYS 29 4.176 10.223 6.914 227 H PHE 30 H PHE 30 -3.077 10.411 5.652 228 HA PHE 30 HA PHE 30 -2.631 13.024 4.639 229 1HB PHE 30 1HB PHE 30 -4.734 10.814 4.280 230 2HB PHE 30 2HB PHE 30 -4.801 12.296 3.347 231 HD1 PHE 30 1HD PHE 30 -3.177 9.086 3.741 232 HD2 PHE 30 2HD PHE 30 -2.994 12.814 1.720 233 HE1 PHE 30 1HE PHE 30 -1.613 8.092 2.048 234 HE2 PHE 30 2HE PHE 30 -1.429 11.819 0.028 235 HZ PHE 30 HZ PHE 30 -0.757 9.470 0.212 236 H GLY 31 H GLY 31 -4.354 11.841 7.350 237 1HA GLY 31 1HA GLY 31 -5.982 12.692 8.660 238 2HA GLY 31 2HA GLY 31 -5.243 14.233 8.275 239 H VAL 32 H VAL 32 -7.215 11.833 6.372 240 HA VAL 32 HA VAL 32 -9.173 13.982 5.974 241 HB VAL 32 HB VAL 32 -8.206 11.999 3.905 242 1HG1 VAL 32 1HG1 VAL 32 -10.605 12.574 3.703 243 2HG1 VAL 32 2HG1 VAL 32 -10.171 14.299 3.633 244 3HG1 VAL 32 3HG1 VAL 32 -9.642 13.195 2.341 245 1HG2 VAL 32 1HG2 VAL 32 -6.484 13.481 3.806 246 2HG2 VAL 32 2HG2 VAL 32 -7.650 14.409 2.832 247 3HG2 VAL 32 3HG2 VAL 32 -7.423 14.794 4.555 248 H SER 33 H SER 33 -9.977 12.791 7.997 249 HA SER 33 HA SER 33 -11.292 10.319 7.222 250 1HB SER 33 1HB SER 33 -9.828 10.624 9.384 251 2HB SER 33 2HB SER 33 -11.227 11.456 10.032 252 HG SER 33 HG SER 33 -10.807 8.812 9.941 253 H ALA 34 H ALA 34 -13.270 10.756 6.284 254 HA ALA 34 HA ALA 34 -14.865 12.901 7.497 255 1HB ALA 34 1HB ALA 34 -14.335 13.243 5.136 256 2HB ALA 34 2HB ALA 34 -14.949 11.621 4.735 257 3HB ALA 34 3HB ALA 34 -16.068 12.879 5.311 258 H ALA 35 H ALA 35 -14.984 10.916 9.183 259 HA ALA 35 HA ALA 35 -16.112 9.179 10.020 260 1HB ALA 35 1HB ALA 35 -17.655 11.066 10.334 261 2HB ALA 35 2HB ALA 35 -18.379 10.759 8.737 262 3HB ALA 35 3HB ALA 35 -18.563 9.563 10.043 263 H ALA 36 H ALA 36 -15.032 7.646 8.518 264 HA ALA 36 HA ALA 36 -15.793 6.902 6.061 265 1HB ALA 36 1HB ALA 36 -15.164 5.008 8.362 266 2HB ALA 36 2HB ALA 36 -14.945 4.679 6.627 267 3HB ALA 36 3HB ALA 36 -13.954 5.920 7.429 268 H ALA 37 H ALA 37 -17.764 6.571 5.169 269 HA ALA 37 HA ALA 37 -19.557 4.724 6.482 270 1HB ALA 37 1HB ALA 37 -20.293 7.625 5.926 271 2HB ALA 37 2HB ALA 37 -21.467 6.343 6.311 272 3HB ALA 37 3HB ALA 37 -20.241 6.817 7.511 273 1H SER 1 H SER 1 10.399 -4.051 -0.836 274 HA SER 1 HA SER 1 10.192 -4.095 2.039 275 1HB SER 1 1HB SER 1 11.461 -1.828 0.455 276 2HB SER 1 2HB SER 1 10.794 -1.583 2.057 277 HG SER 1 HG SER 1 12.464 -3.801 1.981 278 H ILE 2 H ILE 2 7.973 -4.711 1.174 279 HA ILE 2 HA ILE 2 6.535 -2.373 0.148 280 HB ILE 2 HB ILE 2 5.593 -5.235 0.217 281 1HG1 ILE 2 1HG1 ILE 2 7.108 -3.800 -1.984 282 2HG1 ILE 2 2HG1 ILE 2 7.673 -5.171 -1.050 283 1HG2 ILE 2 1HG2 ILE 2 4.702 -3.120 -1.717 284 2HG2 ILE 2 2HG2 ILE 2 3.852 -4.576 -1.146 285 3HG2 ILE 2 3HG2 ILE 2 4.026 -3.168 -0.071 286 1HD1 ILE 2 1HD1 ILE 2 6.814 -5.930 -3.230 287 2HD1 ILE 2 2HD1 ILE 2 5.774 -6.548 -1.924 288 3HD1 ILE 2 3HD1 ILE 2 5.245 -5.157 -2.901 289 H THR 3 H THR 3 7.079 -1.753 2.605 290 HA THR 3 HA THR 3 5.315 -2.980 4.513 291 HB THR 3 HB THR 3 6.279 -1.129 5.964 292 HG1 THR 3 1HG THR 3 7.878 0.200 4.791 293 1HG2 THR 3 1HG2 THR 3 8.581 -2.228 4.324 294 2HG2 THR 3 2HG2 THR 3 8.463 -2.023 6.088 295 3HG2 THR 3 3HG2 THR 3 7.592 -3.353 5.286 296 H LYS 4 H LYS 4 3.673 -1.766 5.752 297 HA LYS 4 HA LYS 4 1.714 -0.787 4.080 298 1HB LYS 4 1HB LYS 4 2.188 -0.789 7.035 299 2HB LYS 4 2HB LYS 4 0.897 0.214 6.405 300 1HG LYS 4 1HG LYS 4 -0.344 -1.708 6.536 301 2HG LYS 4 2HG LYS 4 0.414 -2.089 5.003 302 1HD LYS 4 1HD LYS 4 1.270 -3.950 5.978 303 2HD LYS 4 2HD LYS 4 2.322 -2.904 6.911 304 1HE LYS 4 1HE LYS 4 -0.521 -3.594 7.785 305 2HE LYS 4 2HE LYS 4 0.876 -4.533 8.272 306 1HZ LYS 4 1HZ LYS 4 0.343 -1.714 8.868 307 2HZ LYS 4 2HZ LYS 4 0.509 -2.948 9.926 308 3HZ LYS 4 3HZ LYS 4 1.808 -2.394 9.106 309 H ASP 5 H ASP 5 4.203 0.964 6.021 310 HA ASP 5 HA ASP 5 3.187 3.482 5.571 311 1HB ASP 5 1HB ASP 5 5.944 2.380 6.177 312 2HB ASP 5 2HB ASP 5 5.763 4.092 5.853 313 H GLN 6 H GLN 6 5.585 1.445 3.775 314 HA GLN 6 HA GLN 6 6.478 3.341 2.022 315 1HB GLN 6 1HB GLN 6 6.282 0.344 2.008 316 2HB GLN 6 2HB GLN 6 6.660 1.124 0.485 317 1HG GLN 6 1HG GLN 6 8.170 1.803 3.042 318 2HG GLN 6 2HG GLN 6 8.651 0.462 2.021 319 1HE2 GLN 6 1HE2 GLN 6 10.522 2.194 2.283 320 2HE2 GLN 6 2HE2 GLN 6 10.716 3.260 0.931 321 H ILE 7 H ILE 7 3.408 1.585 2.129 322 HA ILE 7 HA ILE 7 2.762 2.100 -0.610 323 HB ILE 7 HB ILE 7 1.260 0.994 1.752 324 1HG1 ILE 7 1HG1 ILE 7 1.947 -0.378 -0.848 325 2HG1 ILE 7 2HG1 ILE 7 3.092 -0.304 0.477 326 1HG2 ILE 7 1HG2 ILE 7 -0.578 0.465 0.172 327 2HG2 ILE 7 2HG2 ILE 7 -0.378 2.209 0.467 328 3HG2 ILE 7 3HG2 ILE 7 0.216 1.489 -1.049 329 1HD1 ILE 7 1HD1 ILE 7 1.385 -1.338 1.997 330 2HD1 ILE 7 2HD1 ILE 7 0.270 -1.463 0.615 331 3HD1 ILE 7 3HD1 ILE 7 1.792 -2.386 0.617 332 H ILE 8 H ILE 8 2.231 3.637 2.570 333 HA ILE 8 HA ILE 8 0.223 5.397 1.862 334 HB ILE 8 HB ILE 8 2.521 5.697 3.796 335 1HG1 ILE 8 1HG1 ILE 8 -0.336 4.748 4.164 336 2HG1 ILE 8 2HG1 ILE 8 1.109 3.759 4.248 337 1HG2 ILE 8 1HG2 ILE 8 -0.041 7.309 3.643 338 2HG2 ILE 8 2HG2 ILE 8 1.237 7.452 4.874 339 3HG2 ILE 8 3HG2 ILE 8 1.577 7.889 3.182 340 1HD1 ILE 8 1HD1 ILE 8 0.059 5.766 6.217 341 2HD1 ILE 8 2HD1 ILE 8 0.852 4.199 6.505 342 3HD1 ILE 8 3HD1 ILE 8 1.827 5.622 6.067 343 H GLU 9 H GLU 9 3.808 5.669 1.488 344 HA GLU 9 HA GLU 9 3.738 8.269 0.524 345 1HB GLU 9 1HB GLU 9 5.757 6.018 0.164 346 2HB GLU 9 2HB GLU 9 6.044 7.647 -0.413 347 1HG GLU 9 1HG GLU 9 5.692 8.517 1.922 348 2HG GLU 9 2HG GLU 9 5.457 6.874 2.485 349 H ALA 10 H ALA 10 2.786 5.252 -0.904 350 HA ALA 10 HA ALA 10 3.311 5.996 -3.613 351 1HB ALA 10 1HB ALA 10 2.417 3.894 -4.133 352 2HB ALA 10 2HB ALA 10 3.073 3.637 -2.498 353 3HB ALA 10 3HB ALA 10 1.327 3.898 -2.726 354 H VAL 11 H VAL 11 0.480 6.002 -1.372 355 HA VAL 11 HA VAL 11 -1.344 6.879 -3.341 356 HB VAL 11 HB VAL 11 -1.317 6.786 -0.333 357 1HG1 VAL 11 1HG1 VAL 11 -3.762 7.371 -0.447 358 2HG1 VAL 11 2HG1 VAL 11 -2.658 8.717 -0.816 359 3HG1 VAL 11 3HG1 VAL 11 -3.503 7.872 -2.135 360 1HG2 VAL 11 1HG2 VAL 11 -3.163 5.121 -0.767 361 2HG2 VAL 11 2HG2 VAL 11 -2.775 5.245 -2.500 362 3HG2 VAL 11 3HG2 VAL 11 -1.555 4.636 -1.356 363 H ALA 12 H ALA 12 1.233 8.419 -1.610 364 HA ALA 12 HA ALA 12 0.015 11.050 -1.885 365 1HB ALA 12 1HB ALA 12 2.036 11.777 -0.625 366 2HB ALA 12 2HB ALA 12 1.129 10.504 0.227 367 3HB ALA 12 3HB ALA 12 2.628 10.098 -0.642 368 H ALA 13 H ALA 13 1.650 8.842 -3.812 369 HA ALA 13 HA ALA 13 3.297 10.863 -5.123 370 1HB ALA 13 1HB ALA 13 3.900 8.687 -6.484 371 2HB ALA 13 2HB ALA 13 4.544 8.914 -4.840 372 3HB ALA 13 3HB ALA 13 3.141 7.852 -5.108 373 H MET 14 H MET 14 0.228 9.182 -5.338 374 HA MET 14 HA MET 14 0.015 9.941 -8.136 375 1HB MET 14 1HB MET 14 -1.702 8.134 -6.344 376 2HB MET 14 2HB MET 14 -2.054 8.444 -8.033 377 1HG MET 14 1HG MET 14 -0.515 6.913 -8.723 378 2HG MET 14 2HG MET 14 0.738 7.623 -7.724 379 1HE MET 14 1HE MET 14 -1.763 4.767 -8.191 380 2HE MET 14 2HE MET 14 -2.188 4.286 -6.530 381 3HE MET 14 3HE MET 14 -2.729 5.858 -7.168 382 H SER 15 H SER 15 -2.407 10.598 -8.743 383 HA SER 15 HA SER 15 -2.892 12.933 -7.198 384 1HB SER 15 1HB SER 15 -4.955 12.865 -8.993 385 2HB SER 15 2HB SER 15 -3.365 13.506 -9.355 386 HG SER 15 HG SER 15 -4.616 11.404 -10.507 387 H VAL 16 H VAL 16 -5.263 13.497 -6.565 388 HA VAL 16 HA VAL 16 -6.144 11.604 -4.714 389 HB VAL 16 HB VAL 16 -7.444 14.056 -5.909 390 1HG1 VAL 16 1HG1 VAL 16 -9.168 12.554 -5.009 391 2HG1 VAL 16 2HG1 VAL 16 -8.291 12.465 -3.463 392 3HG1 VAL 16 3HG1 VAL 16 -8.989 14.011 -4.001 393 1HG2 VAL 16 1HG2 VAL 16 -6.029 13.634 -3.255 394 2HG2 VAL 16 2HG2 VAL 16 -5.340 14.450 -4.679 395 3HG2 VAL 16 3HG2 VAL 16 -6.745 15.153 -3.842 396 H MET 17 H MET 17 -7.333 12.512 -8.007 397 HA MET 17 HA MET 17 -9.560 10.895 -7.973 398 1HB MET 17 1HB MET 17 -7.768 12.149 -10.053 399 2HB MET 17 2HB MET 17 -8.856 10.900 -10.624 400 1HG MET 17 1HG MET 17 -10.793 12.131 -10.062 401 2HG MET 17 2HG MET 17 -9.966 13.083 -8.845 402 1HE MET 17 1HE MET 17 -11.298 15.377 -11.745 403 2HE MET 17 2HE MET 17 -11.813 14.315 -10.413 404 3HE MET 17 3HE MET 17 -10.773 15.721 -10.080 405 H ASP 18 H ASP 18 -6.169 10.202 -9.028 406 HA ASP 18 HA ASP 18 -6.655 7.723 -10.088 407 1HB ASP 18 1HB ASP 18 -4.491 9.207 -10.025 408 2HB ASP 18 2HB ASP 18 -4.146 8.401 -8.507 409 H VAL 19 H VAL 19 -6.375 8.886 -6.740 410 HA VAL 19 HA VAL 19 -5.933 6.254 -5.655 411 HB VAL 19 HB VAL 19 -6.341 9.003 -4.480 412 1HG1 VAL 19 1HG1 VAL 19 -7.339 7.418 -2.931 413 2HG1 VAL 19 2HG1 VAL 19 -5.897 6.379 -3.015 414 3HG1 VAL 19 3HG1 VAL 19 -5.787 7.996 -2.280 415 1HG2 VAL 19 1HG2 VAL 19 -4.041 9.000 -4.029 416 2HG2 VAL 19 2HG2 VAL 19 -3.905 7.237 -4.231 417 3HG2 VAL 19 3HG2 VAL 19 -4.155 8.279 -5.652 418 H VAL 20 H VAL 20 -8.610 8.453 -6.385 419 HA VAL 20 HA VAL 20 -10.493 7.227 -4.673 420 HB VAL 20 HB VAL 20 -10.702 8.949 -7.142 421 1HG1 VAL 20 1HG1 VAL 20 -12.923 7.955 -5.327 422 2HG1 VAL 20 2HG1 VAL 20 -13.094 9.275 -6.509 423 3HG1 VAL 20 3HG1 VAL 20 -12.723 7.626 -7.065 424 1HG2 VAL 20 1HG2 VAL 20 -11.718 10.031 -4.636 425 2HG2 VAL 20 2HG2 VAL 20 -10.011 9.544 -4.501 426 3HG2 VAL 20 3HG2 VAL 20 -10.510 10.698 -5.761 427 H GLU 21 H GLU 21 -9.383 6.671 -8.043 428 HA GLU 21 HA GLU 21 -11.392 4.843 -8.667 429 1HB GLU 21 1HB GLU 21 -8.625 5.400 -9.781 430 2HB GLU 21 2HB GLU 21 -9.596 4.088 -10.419 431 1HG GLU 21 1HG GLU 21 -11.425 5.653 -10.975 432 2HG GLU 21 2HG GLU 21 -10.562 6.979 -10.222 433 H LEU 22 H LEU 22 -8.031 4.461 -7.376 434 HA LEU 22 HA LEU 22 -7.952 1.705 -7.322 435 1HB LEU 22 1HB LEU 22 -6.066 3.243 -6.934 436 2HB LEU 22 2HB LEU 22 -6.737 3.665 -5.371 437 HG LEU 22 HG LEU 22 -6.573 1.130 -4.844 438 1HD1 LEU 22 1HD1 LEU 22 -4.368 1.140 -6.883 439 2HD1 LEU 22 2HD1 LEU 22 -5.178 -0.231 -6.087 440 3HD1 LEU 22 3HD1 LEU 22 -6.026 0.692 -7.352 441 1HD2 LEU 22 1HD2 LEU 22 -4.259 1.391 -4.072 442 2HD2 LEU 22 2HD2 LEU 22 -4.078 2.833 -5.101 443 3HD2 LEU 22 3HD2 LEU 22 -5.233 2.845 -3.747 444 H ILE 23 H ILE 23 -8.862 3.920 -4.581 445 HA ILE 23 HA ILE 23 -9.638 1.952 -2.842 446 HB ILE 23 HB ILE 23 -10.519 4.803 -3.216 447 1HG1 ILE 23 1HG1 ILE 23 -8.871 3.602 -0.988 448 2HG1 ILE 23 2HG1 ILE 23 -8.145 4.123 -2.495 449 1HG2 ILE 23 1HG2 ILE 23 -12.380 4.174 -2.080 450 2HG2 ILE 23 2HG2 ILE 23 -11.606 2.737 -1.370 451 3HG2 ILE 23 3HG2 ILE 23 -11.277 4.351 -0.694 452 1HD1 ILE 23 1HD1 ILE 23 -8.018 5.969 -0.916 453 2HD1 ILE 23 2HD1 ILE 23 -9.214 6.399 -2.163 454 3HD1 ILE 23 3HD1 ILE 23 -9.758 5.845 -0.561 455 H SER 24 H SER 24 -11.432 3.432 -5.571 456 HA SER 24 HA SER 24 -13.910 2.413 -4.817 457 1HB SER 24 1HB SER 24 -12.708 3.591 -7.304 458 2HB SER 24 2HB SER 24 -14.208 2.704 -7.494 459 HG SER 24 HG SER 24 -15.276 4.128 -6.115 460 H ALA 25 H ALA 25 -11.201 1.152 -6.807 461 HA ALA 25 HA ALA 25 -12.547 -0.979 -7.988 462 1HB ALA 25 1HB ALA 25 -10.494 -0.609 -8.951 463 2HB ALA 25 2HB ALA 25 -9.717 -0.206 -7.401 464 3HB ALA 25 3HB ALA 25 -10.027 -1.906 -7.825 465 H MET 26 H MET 26 -10.523 -0.867 -4.969 466 HA MET 26 HA MET 26 -10.893 -3.478 -4.261 467 1HB MET 26 1HB MET 26 -10.513 -0.912 -2.638 468 2HB MET 26 2HB MET 26 -10.538 -2.481 -1.857 469 1HG MET 26 1HG MET 26 -8.655 -3.230 -3.364 470 2HG MET 26 2HG MET 26 -8.606 -1.626 -4.068 471 1HE MET 26 1HE MET 26 -6.497 -0.528 -3.482 472 2HE MET 26 2HE MET 26 -5.542 -0.905 -2.028 473 3HE MET 26 3HE MET 26 -5.942 -2.194 -3.188 474 H GLU 27 H GLU 27 -12.898 -0.578 -3.428 475 HA GLU 27 HA GLU 27 -14.558 -1.659 -1.622 476 1HB GLU 27 1HB GLU 27 -14.844 0.454 -3.727 477 2HB GLU 27 2HB GLU 27 -16.328 -0.102 -2.979 478 1HG GLU 27 1HG GLU 27 -15.393 0.377 -0.721 479 2HG GLU 27 2HG GLU 27 -13.877 0.882 -1.442 480 H GLU 28 H GLU 28 -14.778 -1.942 -5.219 481 HA GLU 28 HA GLU 28 -17.210 -3.409 -5.010 482 1HB GLU 28 1HB GLU 28 -16.831 -1.912 -6.918 483 2HB GLU 28 2HB GLU 28 -15.386 -2.791 -7.374 484 1HG GLU 28 1HG GLU 28 -16.620 -4.722 -8.053 485 2HG GLU 28 2HG GLU 28 -18.052 -4.231 -7.169 486 H LYS 29 H LYS 29 -13.760 -4.097 -5.869 487 HA LYS 29 HA LYS 29 -14.045 -6.726 -6.600 488 1HB LYS 29 1HB LYS 29 -11.997 -5.509 -6.951 489 2HB LYS 29 2HB LYS 29 -11.759 -5.288 -5.229 490 1HG LYS 29 1HG LYS 29 -10.352 -7.122 -5.715 491 2HG LYS 29 2HG LYS 29 -11.789 -7.898 -5.079 492 1HD LYS 29 1HD LYS 29 -12.617 -8.147 -7.486 493 2HD LYS 29 2HD LYS 29 -11.057 -7.557 -8.024 494 1HE LYS 29 1HE LYS 29 -10.114 -9.478 -6.426 495 2HE LYS 29 2HE LYS 29 -11.719 -10.156 -6.620 496 1HZ LYS 29 1HZ LYS 29 -9.741 -9.606 -8.701 497 2HZ LYS 29 2HZ LYS 29 -10.482 -11.019 -8.351 498 3HZ LYS 29 3HZ LYS 29 -11.317 -9.816 -9.073 499 H PHE 30 H PHE 30 -13.047 -5.546 -3.305 500 HA PHE 30 HA PHE 30 -13.508 -8.117 -2.192 501 1HB PHE 30 1HB PHE 30 -13.044 -5.278 -1.110 502 2HB PHE 30 2HB PHE 30 -13.149 -6.666 -0.045 503 HD1 PHE 30 1HD PHE 30 -11.093 -4.912 -2.488 504 HD2 PHE 30 2HD PHE 30 -11.379 -8.360 -0.031 505 HE1 PHE 30 1HE PHE 30 -8.641 -5.341 -2.806 506 HE2 PHE 30 2HE PHE 30 -8.926 -8.789 -0.349 507 HZ PHE 30 HZ PHE 30 -7.587 -7.275 -1.733 508 H GLY 31 H GLY 31 -15.606 -5.605 -3.147 509 1HA GLY 31 1HA GLY 31 -17.733 -5.058 -2.645 510 2HA GLY 31 2HA GLY 31 -17.935 -6.772 -2.339 511 H VAL 32 H VAL 32 -16.253 -4.013 -0.654 512 HA VAL 32 HA VAL 32 -17.927 -4.557 1.673 513 HB VAL 32 HB VAL 32 -14.923 -4.646 1.546 514 1HG1 VAL 32 1HG1 VAL 32 -14.973 -3.236 3.338 515 2HG1 VAL 32 2HG1 VAL 32 -16.650 -3.655 3.765 516 3HG1 VAL 32 3HG1 VAL 32 -15.320 -4.756 4.197 517 1HG2 VAL 32 1HG2 VAL 32 -16.958 -6.431 2.923 518 2HG2 VAL 32 2HG2 VAL 32 -16.196 -6.760 1.348 519 3HG2 VAL 32 3HG2 VAL 32 -15.202 -6.702 2.824 520 H SER 33 H SER 33 -18.973 -2.604 0.710 521 HA SER 33 HA SER 33 -17.393 -0.235 1.342 522 1HB SER 33 1HB SER 33 -18.823 0.996 -0.241 523 2HB SER 33 2HB SER 33 -18.064 -0.369 -1.036 524 HG SER 33 HG SER 33 -20.449 -1.184 0.036 525 H ALA 34 H ALA 34 -18.077 -0.755 3.651 526 HA ALA 34 HA ALA 34 -20.538 0.653 4.218 527 1HB ALA 34 1HB ALA 34 -21.560 -1.114 5.464 528 2HB ALA 34 2HB ALA 34 -21.105 -1.817 3.893 529 3HB ALA 34 3HB ALA 34 -20.112 -2.140 5.335 530 H ALA 35 H ALA 35 -18.807 2.167 4.909 531 HA ALA 35 HA ALA 35 -17.467 3.086 6.413 532 1HB ALA 35 1HB ALA 35 -18.124 2.864 8.722 533 2HB ALA 35 2HB ALA 35 -19.600 2.744 7.733 534 3HB ALA 35 3HB ALA 35 -18.864 1.274 8.416 535 H ALA 36 H ALA 36 -15.425 2.396 5.747 536 HA ALA 36 HA ALA 36 -14.314 -0.045 5.876 537 1HB ALA 36 1HB ALA 36 -13.341 2.146 5.019 538 2HB ALA 36 2HB ALA 36 -12.857 2.493 6.696 539 3HB ALA 36 3HB ALA 36 -12.192 1.073 5.854 540 H ALA 37 H ALA 37 -13.590 -1.483 7.406 541 HA ALA 37 HA ALA 37 -14.317 -0.947 10.119 542 1HB ALA 37 1HB ALA 37 -14.682 -3.153 9.235 543 2HB ALA 37 2HB ALA 37 -12.994 -3.278 8.684 544 3HB ALA 37 3HB ALA 37 -13.365 -3.281 10.425 Start of MODEL 15 1 1H SER 1 H SER 1 6.543 -1.974 -13.928 2 HA SER 1 HA SER 1 4.348 -1.798 -14.099 3 1HB SER 1 1HB SER 1 4.786 -4.633 -13.092 4 2HB SER 1 2HB SER 1 3.215 -4.090 -13.647 5 HG SER 1 HG SER 1 5.662 -4.338 -15.144 6 H ILE 2 H ILE 2 4.294 -0.152 -12.256 7 HA ILE 2 HA ILE 2 3.038 -1.261 -9.857 8 HB ILE 2 HB ILE 2 4.100 1.529 -10.278 9 1HG1 ILE 2 1HG1 ILE 2 5.565 -0.892 -9.187 10 2HG1 ILE 2 2HG1 ILE 2 5.910 -0.069 -10.695 11 1HG2 ILE 2 1HG2 ILE 2 4.211 1.517 -7.801 12 2HG2 ILE 2 2HG2 ILE 2 2.556 1.349 -8.434 13 3HG2 ILE 2 3HG2 ILE 2 3.415 -0.075 -7.801 14 1HD1 ILE 2 1HD1 ILE 2 6.347 0.898 -7.864 15 2HD1 ILE 2 2HD1 ILE 2 7.467 0.923 -9.247 16 3HD1 ILE 2 3HD1 ILE 2 6.121 2.086 -9.170 17 H THR 3 H THR 3 1.245 -1.612 -11.699 18 HA THR 3 HA THR 3 -0.268 0.783 -12.243 19 HB THR 3 HB THR 3 -1.790 -0.948 -13.338 20 HG1 THR 3 1HG THR 3 -0.910 -3.141 -13.212 21 1HG2 THR 3 1HG2 THR 3 1.109 -0.576 -13.964 22 2HG2 THR 3 2HG2 THR 3 0.376 -2.043 -14.656 23 3HG2 THR 3 3HG2 THR 3 -0.304 -0.443 -15.038 24 H LYS 4 H LYS 4 -2.573 1.006 -11.660 25 HA LYS 4 HA LYS 4 -2.900 0.964 -8.923 26 1HB LYS 4 1HB LYS 4 -4.722 1.327 -11.275 27 2HB LYS 4 2HB LYS 4 -5.431 1.152 -9.683 28 1HG LYS 4 1HG LYS 4 -5.009 3.354 -9.341 29 2HG LYS 4 2HG LYS 4 -3.305 2.952 -9.268 30 1HD LYS 4 1HD LYS 4 -3.296 4.541 -10.982 31 2HD LYS 4 2HD LYS 4 -3.434 3.065 -11.915 32 1HE LYS 4 1HE LYS 4 -6.101 3.645 -11.341 33 2HE LYS 4 2HE LYS 4 -5.410 5.244 -11.535 34 1HZ LYS 4 1HZ LYS 4 -6.084 4.458 -13.637 35 2HZ LYS 4 2HZ LYS 4 -4.452 4.430 -13.641 36 3HZ LYS 4 3HZ LYS 4 -5.292 3.040 -13.470 37 H ASP 5 H ASP 5 -3.978 -1.399 -11.433 38 HA ASP 5 HA ASP 5 -5.522 -2.935 -9.779 39 1HB ASP 5 1HB ASP 5 -3.926 -3.459 -12.292 40 2HB ASP 5 2HB ASP 5 -4.651 -4.826 -11.469 41 H GLN 6 H GLN 6 -1.993 -3.090 -10.603 42 HA GLN 6 HA GLN 6 -1.377 -5.443 -9.395 43 1HB GLN 6 1HB GLN 6 0.120 -2.929 -10.044 44 2HB GLN 6 2HB GLN 6 0.907 -4.044 -8.944 45 1HG GLN 6 1HG GLN 6 -0.305 -5.419 -11.262 46 2HG GLN 6 2HG GLN 6 0.887 -4.228 -11.742 47 1HE2 GLN 6 1HE2 GLN 6 2.082 -6.078 -12.486 48 2HE2 GLN 6 2HE2 GLN 6 3.100 -6.963 -11.399 49 H ILE 7 H ILE 7 -2.180 -2.323 -7.948 50 HA ILE 7 HA ILE 7 -1.051 -3.020 -5.393 51 HB ILE 7 HB ILE 7 -2.713 -0.691 -6.352 52 1HG1 ILE 7 1HG1 ILE 7 0.218 -0.782 -5.595 53 2HG1 ILE 7 2HG1 ILE 7 -0.360 -0.964 -7.240 54 1HG2 ILE 7 1HG2 ILE 7 -1.397 -1.111 -3.654 55 2HG2 ILE 7 2HG2 ILE 7 -2.182 0.384 -4.217 56 3HG2 ILE 7 3HG2 ILE 7 -3.146 -1.094 -3.983 57 1HD1 ILE 7 1HD1 ILE 7 -0.728 1.449 -5.415 58 2HD1 ILE 7 2HD1 ILE 7 0.183 1.370 -6.942 59 3HD1 ILE 7 3HD1 ILE 7 -1.593 1.259 -6.959 60 H ILE 8 H ILE 8 -4.136 -3.244 -7.119 61 HA ILE 8 HA ILE 8 -5.770 -3.540 -4.854 62 HB ILE 8 HB ILE 8 -6.104 -4.470 -7.707 63 1HG1 ILE 8 1HG1 ILE 8 -5.818 -2.058 -7.520 64 2HG1 ILE 8 2HG1 ILE 8 -7.462 -2.459 -7.974 65 1HG2 ILE 8 1HG2 ILE 8 -7.743 -5.728 -6.792 66 2HG2 ILE 8 2HG2 ILE 8 -7.836 -4.741 -5.315 67 3HG2 ILE 8 3HG2 ILE 8 -8.625 -4.182 -6.809 68 1HD1 ILE 8 1HD1 ILE 8 -8.026 -2.336 -5.443 69 2HD1 ILE 8 2HD1 ILE 8 -6.440 -1.548 -5.261 70 3HD1 ILE 8 3HD1 ILE 8 -7.694 -0.800 -6.279 71 H GLU 9 H GLU 9 -4.134 -5.936 -7.028 72 HA GLU 9 HA GLU 9 -5.120 -8.124 -5.591 73 1HB GLU 9 1HB GLU 9 -3.608 -9.451 -6.967 74 2HB GLU 9 2HB GLU 9 -4.335 -8.208 -7.965 75 1HG GLU 9 1HG GLU 9 -2.168 -7.792 -8.594 76 2HG GLU 9 2HG GLU 9 -2.115 -6.857 -7.113 77 H ALA 10 H ALA 10 -2.657 -5.804 -4.918 78 HA ALA 10 HA ALA 10 -0.917 -7.558 -3.477 79 1HB ALA 10 1HB ALA 10 -0.120 -5.510 -4.596 80 2HB ALA 10 2HB ALA 10 -1.162 -4.522 -3.545 81 3HB ALA 10 3HB ALA 10 0.193 -5.441 -2.846 82 H VAL 11 H VAL 11 -3.677 -5.380 -2.763 83 HA VAL 11 HA VAL 11 -3.383 -5.635 0.059 84 HB VAL 11 HB VAL 11 -5.546 -4.614 -1.777 85 1HG1 VAL 11 1HG1 VAL 11 -6.743 -3.785 0.182 86 2HG1 VAL 11 2HG1 VAL 11 -6.597 -5.558 0.253 87 3HG1 VAL 11 3HG1 VAL 11 -5.543 -4.536 1.260 88 1HG2 VAL 11 1HG2 VAL 11 -3.293 -3.426 -0.226 89 2HG2 VAL 11 2HG2 VAL 11 -3.968 -2.966 -1.807 90 3HG2 VAL 11 3HG2 VAL 11 -4.807 -2.495 -0.310 91 H ALA 12 H ALA 12 -4.840 -7.510 -2.547 92 HA ALA 12 HA ALA 12 -6.455 -9.038 -0.684 93 1HB ALA 12 1HB ALA 12 -6.073 -9.776 -3.570 94 2HB ALA 12 2HB ALA 12 -7.540 -9.835 -2.564 95 3HB ALA 12 3HB ALA 12 -6.953 -8.276 -3.190 96 H ALA 13 H ALA 13 -3.310 -8.854 -0.862 97 HA ALA 13 HA ALA 13 -2.858 -11.742 -1.147 98 1HB ALA 13 1HB ALA 13 -0.635 -11.239 -1.755 99 2HB ALA 13 2HB ALA 13 -1.592 -9.981 -2.574 100 3HB ALA 13 3HB ALA 13 -0.722 -9.598 -1.070 101 H MET 14 H MET 14 -2.846 -8.937 1.004 102 HA MET 14 HA MET 14 -1.443 -10.458 3.022 103 1HB MET 14 1HB MET 14 -2.555 -7.596 3.029 104 2HB MET 14 2HB MET 14 -1.531 -8.274 4.279 105 1HG MET 14 1HG MET 14 0.379 -8.010 3.033 106 2HG MET 14 2HG MET 14 -0.385 -8.578 1.562 107 1HE MET 14 1HE MET 14 1.160 -5.715 0.410 108 2HE MET 14 2HE MET 14 1.333 -4.946 2.006 109 3HE MET 14 3HE MET 14 1.666 -6.684 1.815 110 H SER 15 H SER 15 -2.421 -10.088 5.388 111 HA SER 15 HA SER 15 -4.959 -11.344 5.256 112 1HB SER 15 1HB SER 15 -4.572 -10.887 7.925 113 2HB SER 15 2HB SER 15 -3.896 -12.253 7.059 114 HG SER 15 HG SER 15 -2.620 -9.816 7.871 115 H VAL 16 H VAL 16 -6.792 -10.554 6.803 116 HA VAL 16 HA VAL 16 -7.662 -8.086 5.895 117 HB VAL 16 HB VAL 16 -8.481 -9.826 8.221 118 1HG1 VAL 16 1HG1 VAL 16 -10.693 -8.425 7.895 119 2HG1 VAL 16 2HG1 VAL 16 -9.386 -7.833 8.947 120 3HG1 VAL 16 3HG1 VAL 16 -9.565 -7.184 7.300 121 1HG2 VAL 16 1HG2 VAL 16 -8.766 -10.793 5.972 122 2HG2 VAL 16 2HG2 VAL 16 -10.331 -10.473 6.756 123 3HG2 VAL 16 3HG2 VAL 16 -9.730 -9.377 5.488 124 H MET 17 H MET 17 -6.050 -9.045 8.981 125 HA MET 17 HA MET 17 -6.305 -6.656 10.277 126 1HB MET 17 1HB MET 17 -4.392 -8.985 10.313 127 2HB MET 17 2HB MET 17 -3.845 -7.538 11.137 128 1HG MET 17 1HG MET 17 -5.040 -8.321 12.922 129 2HG MET 17 2HG MET 17 -6.449 -7.727 12.066 130 1HE MET 17 1HE MET 17 -7.725 -9.264 13.493 131 2HE MET 17 2HE MET 17 -7.932 -11.011 13.222 132 3HE MET 17 3HE MET 17 -6.554 -10.416 14.179 133 H ASP 18 H ASP 18 -3.770 -7.737 7.938 134 HA ASP 18 HA ASP 18 -2.123 -5.549 8.274 135 1HB ASP 18 1HB ASP 18 -1.906 -7.848 6.913 136 2HB ASP 18 2HB ASP 18 -2.455 -6.864 5.571 137 H VAL 19 H VAL 19 -5.143 -6.084 6.485 138 HA VAL 19 HA VAL 19 -4.799 -3.810 4.766 139 HB VAL 19 HB VAL 19 -7.176 -5.591 5.341 140 1HG1 VAL 19 1HG1 VAL 19 -7.990 -3.527 4.439 141 2HG1 VAL 19 2HG1 VAL 19 -6.708 -3.490 3.204 142 3HG1 VAL 19 3HG1 VAL 19 -7.990 -4.721 3.119 143 1HG2 VAL 19 1HG2 VAL 19 -4.754 -6.011 3.817 144 2HG2 VAL 19 2HG2 VAL 19 -6.093 -7.135 4.150 145 3HG2 VAL 19 3HG2 VAL 19 -6.175 -6.044 2.746 146 H VAL 20 H VAL 20 -6.207 -4.570 7.934 147 HA VAL 20 HA VAL 20 -7.828 -2.265 8.107 148 HB VAL 20 HB VAL 20 -6.651 -4.203 10.091 149 1HG1 VAL 20 1HG1 VAL 20 -6.790 -2.143 11.315 150 2HG1 VAL 20 2HG1 VAL 20 -8.404 -1.790 10.651 151 3HG1 VAL 20 3HG1 VAL 20 -8.184 -3.147 11.783 152 1HG2 VAL 20 1HG2 VAL 20 -8.615 -4.699 8.421 153 2HG2 VAL 20 2HG2 VAL 20 -8.732 -5.217 10.120 154 3HG2 VAL 20 3HG2 VAL 20 -9.578 -3.748 9.577 155 H GLU 21 H GLU 21 -4.431 -3.044 9.035 156 HA GLU 21 HA GLU 21 -3.954 -0.656 10.349 157 1HB GLU 21 1HB GLU 21 -2.212 -2.731 9.007 158 2HB GLU 21 2HB GLU 21 -1.479 -1.249 9.589 159 1HG GLU 21 1HG GLU 21 -2.670 -1.720 11.845 160 2HG GLU 21 2HG GLU 21 -3.016 -3.318 11.215 161 H LEU 22 H LEU 22 -3.481 -1.635 6.897 162 HA LEU 22 HA LEU 22 -2.253 0.668 6.012 163 1HB LEU 22 1HB LEU 22 -2.489 -1.446 4.770 164 2HB LEU 22 2HB LEU 22 -4.196 -1.119 4.542 165 HG LEU 22 HG LEU 22 -2.356 1.014 3.615 166 1HD1 LEU 22 1HD1 LEU 22 -0.960 -0.593 2.748 167 2HD1 LEU 22 2HD1 LEU 22 -2.271 -1.776 2.525 168 3HD1 LEU 22 3HD1 LEU 22 -2.121 -0.394 1.414 169 1HD2 LEU 22 1HD2 LEU 22 -4.753 -0.339 2.347 170 2HD2 LEU 22 2HD2 LEU 22 -4.791 1.147 3.326 171 3HD2 LEU 22 3HD2 LEU 22 -3.934 1.131 1.765 172 H ILE 23 H ILE 23 -5.796 -0.117 5.734 173 HA ILE 23 HA ILE 23 -6.618 2.305 4.823 174 HB ILE 23 HB ILE 23 -7.936 0.262 6.590 175 1HG1 ILE 23 1HG1 ILE 23 -7.302 -0.169 4.141 176 2HG1 ILE 23 2HG1 ILE 23 -8.941 -0.534 4.644 177 1HG2 ILE 23 1HG2 ILE 23 -9.160 2.796 5.472 178 2HG2 ILE 23 2HG2 ILE 23 -10.093 1.408 6.082 179 3HG2 ILE 23 3HG2 ILE 23 -9.025 2.315 7.180 180 1HD1 ILE 23 1HD1 ILE 23 -8.241 2.181 3.474 181 2HD1 ILE 23 2HD1 ILE 23 -8.628 0.791 2.431 182 3HD1 ILE 23 3HD1 ILE 23 -9.837 1.402 3.586 183 H SER 24 H SER 24 -6.135 1.300 8.267 184 HA SER 24 HA SER 24 -7.111 3.633 9.354 185 1HB SER 24 1HB SER 24 -5.364 1.383 10.268 186 2HB SER 24 2HB SER 24 -5.281 2.849 11.224 187 HG SER 24 HG SER 24 -6.949 1.667 12.126 188 H ALA 25 H ALA 25 -3.889 2.752 8.064 189 HA ALA 25 HA ALA 25 -2.418 4.820 9.202 190 1HB ALA 25 1HB ALA 25 -1.808 2.653 7.772 191 2HB ALA 25 2HB ALA 25 -1.809 3.827 6.434 192 3HB ALA 25 3HB ALA 25 -0.723 4.063 7.825 193 H MET 26 H MET 26 -3.573 4.631 5.756 194 HA MET 26 HA MET 26 -3.012 7.209 5.142 195 1HB MET 26 1HB MET 26 -5.259 5.356 4.185 196 2HB MET 26 2HB MET 26 -4.896 6.874 3.388 197 1HG MET 26 1HG MET 26 -2.672 6.134 2.771 198 2HG MET 26 2HG MET 26 -2.756 4.749 3.842 199 1HE MET 26 1HE MET 26 -2.825 3.040 0.353 200 2HE MET 26 2HE MET 26 -1.981 4.567 0.703 201 3HE MET 26 3HE MET 26 -1.973 3.251 1.901 202 H GLU 27 H GLU 27 -5.846 5.882 6.867 203 HA GLU 27 HA GLU 27 -7.558 7.994 6.548 204 1HB GLU 27 1HB GLU 27 -7.207 5.794 8.548 205 2HB GLU 27 2HB GLU 27 -8.225 7.131 9.044 206 1HG GLU 27 1HG GLU 27 -9.430 6.857 6.757 207 2HG GLU 27 2HG GLU 27 -8.578 5.332 6.612 208 H GLU 28 H GLU 28 -4.937 7.465 8.975 209 HA GLU 28 HA GLU 28 -5.564 9.936 10.261 210 1HB GLU 28 1HB GLU 28 -4.748 8.037 11.588 211 2HB GLU 28 2HB GLU 28 -3.278 7.953 10.637 212 1HG GLU 28 1HG GLU 28 -2.344 9.834 11.638 213 2HG GLU 28 2HG GLU 28 -3.896 10.607 11.895 214 H LYS 29 H LYS 29 -2.980 8.602 8.115 215 HA LYS 29 HA LYS 29 -1.257 10.741 8.171 216 1HB LYS 29 1HB LYS 29 -0.662 8.626 7.178 217 2HB LYS 29 2HB LYS 29 -1.907 8.781 5.955 218 1HG LYS 29 1HG LYS 29 -0.108 9.570 4.725 219 2HG LYS 29 2HG LYS 29 -0.635 11.086 5.428 220 1HD LYS 29 1HD LYS 29 0.998 10.654 7.355 221 2HD LYS 29 2HD LYS 29 1.609 9.286 6.447 222 1HE LYS 29 1HE LYS 29 1.657 11.306 4.533 223 2HE LYS 29 2HE LYS 29 2.036 12.191 5.997 224 1HZ LYS 29 1HZ LYS 29 3.604 10.275 4.608 225 2HZ LYS 29 2HZ LYS 29 4.069 11.416 5.679 226 3HZ LYS 29 3HZ LYS 29 3.532 9.968 6.210 227 H PHE 30 H PHE 30 -3.706 10.112 5.554 228 HA PHE 30 HA PHE 30 -3.461 12.782 4.628 229 1HB PHE 30 1HB PHE 30 -5.269 10.358 4.157 230 2HB PHE 30 2HB PHE 30 -5.634 11.875 3.359 231 HD1 PHE 30 1HD PHE 30 -4.387 12.598 1.467 232 HD2 PHE 30 2HD PHE 30 -3.115 9.195 3.659 233 HE1 PHE 30 1HE PHE 30 -2.769 12.023 -0.364 234 HE2 PHE 30 2HE PHE 30 -1.497 8.620 1.828 235 HZ PHE 30 HZ PHE 30 -1.344 10.041 -0.162 236 H GLY 31 H GLY 31 -4.994 11.491 7.348 237 1HA GLY 31 1HA GLY 31 -6.735 12.130 8.644 238 2HA GLY 31 2HA GLY 31 -6.156 13.742 8.272 239 H VAL 32 H VAL 32 -7.671 11.301 6.065 240 HA VAL 32 HA VAL 32 -9.992 13.078 5.859 241 HB VAL 32 HB VAL 32 -8.286 11.966 3.635 242 1HG1 VAL 32 1HG1 VAL 32 -10.209 13.192 2.247 243 2HG1 VAL 32 2HG1 VAL 32 -10.304 11.469 2.680 244 3HG1 VAL 32 3HG1 VAL 32 -11.187 12.678 3.642 245 1HG2 VAL 32 1HG2 VAL 32 -9.093 14.653 3.201 246 2HG2 VAL 32 2HG2 VAL 32 -8.559 14.535 4.895 247 3HG2 VAL 32 3HG2 VAL 32 -7.466 14.038 3.580 248 H SER 33 H SER 33 -10.774 11.419 7.457 249 HA SER 33 HA SER 33 -11.444 8.949 6.059 250 1HB SER 33 1HB SER 33 -11.664 7.908 8.290 251 2HB SER 33 2HB SER 33 -10.064 8.589 8.071 252 HG SER 33 HG SER 33 -11.171 9.055 10.175 253 H ALA 34 H ALA 34 -13.266 10.152 5.032 254 HA ALA 34 HA ALA 34 -15.664 9.759 6.416 255 1HB ALA 34 1HB ALA 34 -15.388 12.687 5.967 256 2HB ALA 34 2HB ALA 34 -16.239 11.801 7.255 257 3HB ALA 34 3HB ALA 34 -14.476 12.026 7.345 258 H ALA 35 H ALA 35 -15.895 8.607 4.384 259 HA ALA 35 HA ALA 35 -16.253 8.390 2.187 260 1HB ALA 35 1HB ALA 35 -18.428 9.133 3.126 261 2HB ALA 35 2HB ALA 35 -17.997 10.821 2.761 262 3HB ALA 35 3HB ALA 35 -18.221 9.654 1.436 263 H ALA 36 H ALA 36 -13.928 9.027 1.780 264 HA ALA 36 HA ALA 36 -12.982 11.487 1.254 265 1HB ALA 36 1HB ALA 36 -11.867 10.012 -0.785 266 2HB ALA 36 2HB ALA 36 -11.327 9.974 0.911 267 3HB ALA 36 3HB ALA 36 -12.454 8.735 0.307 268 H ALA 37 H ALA 37 -12.855 12.903 -0.579 269 HA ALA 37 HA ALA 37 -13.669 14.012 -2.310 270 1HB ALA 37 1HB ALA 37 -13.510 11.307 -3.132 271 2HB ALA 37 2HB ALA 37 -15.071 11.913 -3.737 272 3HB ALA 37 3HB ALA 37 -13.562 12.753 -4.169 273 1H SER 1 H SER 1 10.190 -4.155 -0.839 274 HA SER 1 HA SER 1 10.281 -3.490 1.962 275 1HB SER 1 1HB SER 1 10.102 -1.051 1.515 276 2HB SER 1 2HB SER 1 11.630 -1.706 0.960 277 HG SER 1 HG SER 1 9.307 -1.149 -0.682 278 H ILE 2 H ILE 2 8.373 -5.027 1.619 279 HA ILE 2 HA ILE 2 6.127 -3.745 0.270 280 HB ILE 2 HB ILE 2 6.279 -6.523 1.430 281 1HG1 ILE 2 1HG1 ILE 2 6.945 -5.653 -1.398 282 2HG1 ILE 2 2HG1 ILE 2 8.110 -6.177 -0.199 283 1HG2 ILE 2 1HG2 ILE 2 4.517 -5.466 -0.788 284 2HG2 ILE 2 2HG2 ILE 2 4.387 -7.010 0.089 285 3HG2 ILE 2 3HG2 ILE 2 4.033 -5.479 0.925 286 1HD1 ILE 2 1HD1 ILE 2 6.905 -8.382 -0.029 287 2HD1 ILE 2 2HD1 ILE 2 5.815 -7.844 -1.329 288 3HD1 ILE 2 3HD1 ILE 2 7.551 -8.064 -1.657 289 H THR 3 H THR 3 6.582 -2.140 2.268 290 HA THR 3 HA THR 3 5.089 -3.123 4.593 291 HB THR 3 HB THR 3 6.090 -1.044 5.646 292 HG1 THR 3 1HG THR 3 7.067 0.343 4.209 293 1HG2 THR 3 1HG2 THR 3 8.558 -1.718 5.332 294 2HG2 THR 3 2HG2 THR 3 7.487 -3.016 5.911 295 3HG2 THR 3 3HG2 THR 3 7.980 -2.965 4.202 296 H LYS 4 H LYS 4 3.456 -1.708 5.585 297 HA LYS 4 HA LYS 4 1.551 -0.950 3.690 298 1HB LYS 4 1HB LYS 4 1.846 -0.851 6.645 299 2HB LYS 4 2HB LYS 4 0.692 0.270 5.950 300 1HG LYS 4 1HG LYS 4 -0.710 -1.556 6.123 301 2HG LYS 4 2HG LYS 4 -0.033 -1.924 4.549 302 1HD LYS 4 1HD LYS 4 0.301 -3.960 5.649 303 2HD LYS 4 2HD LYS 4 1.844 -3.180 5.935 304 1HE LYS 4 1HE LYS 4 0.711 -2.252 8.127 305 2HE LYS 4 2HE LYS 4 -0.482 -3.507 7.861 306 1HZ LYS 4 1HZ LYS 4 1.227 -4.369 9.213 307 2HZ LYS 4 2HZ LYS 4 1.389 -5.086 7.754 308 3HZ LYS 4 3HZ LYS 4 2.409 -3.888 8.194 309 H ASP 5 H ASP 5 3.984 0.917 5.578 310 HA ASP 5 HA ASP 5 3.005 3.408 5.016 311 1HB ASP 5 1HB ASP 5 5.747 2.286 5.620 312 2HB ASP 5 2HB ASP 5 5.625 3.971 5.154 313 H GLN 6 H GLN 6 5.240 1.225 3.201 314 HA GLN 6 HA GLN 6 6.132 3.025 1.339 315 1HB GLN 6 1HB GLN 6 5.861 0.046 1.492 316 2HB GLN 6 2HB GLN 6 6.130 0.719 -0.104 317 1HG GLN 6 1HG GLN 6 7.861 1.758 2.127 318 2HG GLN 6 2HG GLN 6 8.164 0.120 1.582 319 1HE2 GLN 6 1HE2 GLN 6 8.742 3.371 1.068 320 2HE2 GLN 6 2HE2 GLN 6 9.453 3.315 -0.511 321 H ILE 7 H ILE 7 3.011 1.389 1.658 322 HA ILE 7 HA ILE 7 2.247 1.929 -1.061 323 HB ILE 7 HB ILE 7 0.867 0.759 1.342 324 1HG1 ILE 7 1HG1 ILE 7 1.174 -0.641 -1.275 325 2HG1 ILE 7 2HG1 ILE 7 2.621 -0.410 -0.314 326 1HG2 ILE 7 1HG2 ILE 7 -0.935 0.223 -0.503 327 2HG2 ILE 7 2HG2 ILE 7 -0.983 1.745 0.418 328 3HG2 ILE 7 3HG2 ILE 7 -0.314 1.724 -1.231 329 1HD1 ILE 7 1HD1 ILE 7 1.353 -2.573 0.147 330 2HD1 ILE 7 2HD1 ILE 7 1.665 -1.569 1.584 331 3HD1 ILE 7 3HD1 ILE 7 0.049 -1.576 0.836 332 H ILE 8 H ILE 8 1.966 3.421 2.156 333 HA ILE 8 HA ILE 8 -0.131 5.162 1.591 334 HB ILE 8 HB ILE 8 2.212 5.414 3.479 335 1HG1 ILE 8 1HG1 ILE 8 -0.604 4.356 3.850 336 2HG1 ILE 8 2HG1 ILE 8 0.883 3.430 3.905 337 1HG2 ILE 8 1HG2 ILE 8 0.995 7.579 2.840 338 2HG2 ILE 8 2HG2 ILE 8 -0.399 6.903 3.716 339 3HG2 ILE 8 3HG2 ILE 8 1.137 7.184 4.570 340 1HD1 ILE 8 1HD1 ILE 8 0.535 3.800 6.181 341 2HD1 ILE 8 2HD1 ILE 8 1.556 5.204 5.786 342 3HD1 ILE 8 3HD1 ILE 8 -0.209 5.395 5.913 343 H GLU 9 H GLU 9 3.451 5.530 1.204 344 HA GLU 9 HA GLU 9 3.284 8.162 0.328 345 1HB GLU 9 1HB GLU 9 5.616 7.914 -0.275 346 2HB GLU 9 2HB GLU 9 5.346 7.011 1.202 347 1HG GLU 9 1HG GLU 9 6.085 5.120 0.200 348 2HG GLU 9 2HG GLU 9 4.790 5.224 -0.976 349 H ALA 10 H ALA 10 2.443 5.171 -1.194 350 HA ALA 10 HA ALA 10 3.012 5.985 -3.873 351 1HB ALA 10 1HB ALA 10 2.643 3.798 -4.256 352 2HB ALA 10 2HB ALA 10 2.380 3.606 -2.506 353 3HB ALA 10 3HB ALA 10 0.997 3.901 -3.587 354 H VAL 11 H VAL 11 0.250 6.118 -1.599 355 HA VAL 11 HA VAL 11 -1.585 6.962 -3.622 356 HB VAL 11 HB VAL 11 -1.633 6.763 -0.618 357 1HG1 VAL 11 1HG1 VAL 11 -3.003 8.654 -0.977 358 2HG1 VAL 11 2HG1 VAL 11 -3.711 7.967 -2.459 359 3HG1 VAL 11 3HG1 VAL 11 -4.127 7.278 -0.871 360 1HG2 VAL 11 1HG2 VAL 11 -1.804 4.650 -1.772 361 2HG2 VAL 11 2HG2 VAL 11 -3.404 5.071 -1.115 362 3HG2 VAL 11 3HG2 VAL 11 -3.069 5.289 -2.850 363 H ALA 12 H ALA 12 0.947 8.432 -1.768 364 HA ALA 12 HA ALA 12 -0.231 11.083 -2.092 365 1HB ALA 12 1HB ALA 12 0.728 10.513 0.095 366 2HB ALA 12 2HB ALA 12 2.283 10.112 -0.673 367 3HB ALA 12 3HB ALA 12 1.690 11.790 -0.687 368 H ALA 13 H ALA 13 1.149 8.971 -4.114 369 HA ALA 13 HA ALA 13 3.083 10.882 -5.216 370 1HB ALA 13 1HB ALA 13 3.848 8.559 -4.600 371 2HB ALA 13 2HB ALA 13 2.732 7.923 -5.832 372 3HB ALA 13 3HB ALA 13 4.085 8.973 -6.315 373 H MET 14 H MET 14 -0.005 9.239 -5.681 374 HA MET 14 HA MET 14 -0.004 10.049 -8.470 375 1HB MET 14 1HB MET 14 -1.884 8.246 -6.843 376 2HB MET 14 2HB MET 14 -2.066 8.555 -8.559 377 1HG MET 14 1HG MET 14 -0.160 7.301 -9.136 378 2HG MET 14 2HG MET 14 0.611 7.552 -7.582 379 1HE MET 14 1HE MET 14 1.299 5.217 -7.266 380 2HE MET 14 2HE MET 14 0.250 3.779 -7.261 381 3HE MET 14 3HE MET 14 0.606 4.615 -8.791 382 H SER 15 H SER 15 -2.348 10.746 -9.268 383 HA SER 15 HA SER 15 -2.886 13.100 -7.789 384 1HB SER 15 1HB SER 15 -4.841 13.045 -9.702 385 2HB SER 15 2HB SER 15 -3.216 13.638 -9.981 386 HG SER 15 HG SER 15 -4.166 11.919 -11.492 387 H VAL 16 H VAL 16 -5.244 13.745 -7.263 388 HA VAL 16 HA VAL 16 -6.286 11.950 -5.425 389 HB VAL 16 HB VAL 16 -7.516 14.328 -6.830 390 1HG1 VAL 16 1HG1 VAL 16 -9.331 13.030 -5.954 391 2HG1 VAL 16 2HG1 VAL 16 -8.476 12.761 -4.416 392 3HG1 VAL 16 3HG1 VAL 16 -9.056 14.390 -4.839 393 1HG2 VAL 16 1HG2 VAL 16 -5.581 15.016 -5.624 394 2HG2 VAL 16 2HG2 VAL 16 -6.983 15.440 -4.614 395 3HG2 VAL 16 3HG2 VAL 16 -6.006 14.005 -4.223 396 H MET 17 H MET 17 -7.276 12.701 -8.824 397 HA MET 17 HA MET 17 -9.494 11.071 -8.847 398 1HB MET 17 1HB MET 17 -7.575 12.212 -10.889 399 2HB MET 17 2HB MET 17 -8.676 10.967 -11.447 400 1HG MET 17 1HG MET 17 -10.624 12.279 -10.693 401 2HG MET 17 2HG MET 17 -9.580 13.477 -9.955 402 1HE MET 17 1HE MET 17 -11.273 12.244 -13.214 403 2HE MET 17 2HE MET 17 -11.932 13.583 -12.244 404 3HE MET 17 3HE MET 17 -11.338 13.888 -13.894 405 H ASP 18 H ASP 18 -6.050 10.360 -9.715 406 HA ASP 18 HA ASP 18 -6.488 7.811 -10.638 407 1HB ASP 18 1HB ASP 18 -4.358 9.070 -10.891 408 2HB ASP 18 2HB ASP 18 -4.075 8.969 -9.164 409 H VAL 19 H VAL 19 -6.234 9.193 -7.362 410 HA VAL 19 HA VAL 19 -5.774 6.672 -6.081 411 HB VAL 19 HB VAL 19 -6.331 9.487 -5.174 412 1HG1 VAL 19 1HG1 VAL 19 -5.949 8.669 -2.837 413 2HG1 VAL 19 2HG1 VAL 19 -7.481 8.119 -3.559 414 3HG1 VAL 19 3HG1 VAL 19 -6.099 7.003 -3.446 415 1HG2 VAL 19 1HG2 VAL 19 -3.939 7.691 -4.674 416 2HG2 VAL 19 2HG2 VAL 19 -4.061 8.829 -6.037 417 3HG2 VAL 19 3HG2 VAL 19 -4.074 9.438 -4.364 418 H VAL 20 H VAL 20 -8.541 8.742 -6.959 419 HA VAL 20 HA VAL 20 -10.431 7.580 -5.273 420 HB VAL 20 HB VAL 20 -10.545 9.007 -7.920 421 1HG1 VAL 20 1HG1 VAL 20 -12.852 7.864 -6.323 422 2HG1 VAL 20 2HG1 VAL 20 -13.041 9.182 -7.504 423 3HG1 VAL 20 3HG1 VAL 20 -12.455 7.588 -8.035 424 1HG2 VAL 20 1HG2 VAL 20 -10.598 10.855 -6.672 425 2HG2 VAL 20 2HG2 VAL 20 -11.966 10.229 -5.719 426 3HG2 VAL 20 3HG2 VAL 20 -10.296 9.844 -5.239 427 H GLU 21 H GLU 21 -9.396 6.765 -8.648 428 HA GLU 21 HA GLU 21 -11.198 4.718 -9.009 429 1HB GLU 21 1HB GLU 21 -8.484 5.367 -10.176 430 2HB GLU 21 2HB GLU 21 -9.273 3.866 -10.616 431 1HG GLU 21 1HG GLU 21 -11.372 5.340 -11.132 432 2HG GLU 21 2HG GLU 21 -10.273 6.703 -11.066 433 H LEU 22 H LEU 22 -7.812 4.663 -7.714 434 HA LEU 22 HA LEU 22 -7.602 1.930 -7.381 435 1HB LEU 22 1HB LEU 22 -5.754 3.516 -7.241 436 2HB LEU 22 2HB LEU 22 -6.405 4.175 -5.753 437 HG LEU 22 HG LEU 22 -6.033 1.298 -5.543 438 1HD1 LEU 22 1HD1 LEU 22 -3.410 1.736 -5.414 439 2HD1 LEU 22 2HD1 LEU 22 -4.215 1.192 -6.905 440 3HD1 LEU 22 3HD1 LEU 22 -3.806 2.911 -6.691 441 1HD2 LEU 22 1HD2 LEU 22 -4.669 3.515 -4.004 442 2HD2 LEU 22 2HD2 LEU 22 -6.346 2.999 -3.703 443 3HD2 LEU 22 3HD2 LEU 22 -5.006 1.848 -3.477 444 H ILE 23 H ILE 23 -8.418 4.353 -4.791 445 HA ILE 23 HA ILE 23 -9.061 2.517 -2.869 446 HB ILE 23 HB ILE 23 -10.042 5.315 -3.393 447 1HG1 ILE 23 1HG1 ILE 23 -7.631 4.976 -2.904 448 2HG1 ILE 23 2HG1 ILE 23 -8.460 5.958 -1.713 449 1HG2 ILE 23 1HG2 ILE 23 -11.796 4.543 -2.091 450 2HG2 ILE 23 2HG2 ILE 23 -10.763 3.424 -1.170 451 3HG2 ILE 23 3HG2 ILE 23 -10.661 5.177 -0.875 452 1HD1 ILE 23 1HD1 ILE 23 -7.635 3.038 -1.460 453 2HD1 ILE 23 2HD1 ILE 23 -7.106 4.417 -0.466 454 3HD1 ILE 23 3HD1 ILE 23 -8.773 3.809 -0.330 455 H SER 24 H SER 24 -11.023 3.733 -5.606 456 HA SER 24 HA SER 24 -13.457 2.840 -4.619 457 1HB SER 24 1HB SER 24 -12.382 3.631 -7.319 458 2HB SER 24 2HB SER 24 -13.934 2.819 -7.266 459 HG SER 24 HG SER 24 -14.851 4.506 -6.189 460 H ALA 25 H ALA 25 -10.899 1.300 -6.628 461 HA ALA 25 HA ALA 25 -12.316 -0.937 -7.445 462 1HB ALA 25 1HB ALA 25 -10.343 -1.053 -8.522 463 2HB ALA 25 2HB ALA 25 -9.559 0.010 -7.330 464 3HB ALA 25 3HB ALA 25 -9.656 -1.742 -7.032 465 H MET 26 H MET 26 -10.079 -0.574 -4.596 466 HA MET 26 HA MET 26 -10.550 -3.040 -3.532 467 1HB MET 26 1HB MET 26 -9.926 -0.324 -2.266 468 2HB MET 26 2HB MET 26 -9.959 -1.790 -1.307 469 1HG MET 26 1HG MET 26 -8.241 -2.800 -2.880 470 2HG MET 26 2HG MET 26 -8.155 -1.263 -3.718 471 1HE MET 26 1HE MET 26 -4.895 -0.666 -1.929 472 2HE MET 26 2HE MET 26 -5.514 -1.936 -3.011 473 3HE MET 26 3HE MET 26 -5.908 -0.229 -3.325 474 H GLU 27 H GLU 27 -12.360 0.048 -3.029 475 HA GLU 27 HA GLU 27 -13.940 -0.694 -0.972 476 1HB GLU 27 1HB GLU 27 -14.230 1.178 -3.290 477 2HB GLU 27 2HB GLU 27 -15.699 0.809 -2.409 478 1HG GLU 27 1HG GLU 27 -14.312 1.329 -0.253 479 2HG GLU 27 2HG GLU 27 -13.139 2.052 -1.336 480 H GLU 28 H GLU 28 -14.485 -1.305 -4.501 481 HA GLU 28 HA GLU 28 -16.950 -2.598 -3.989 482 1HB GLU 28 1HB GLU 28 -16.250 -1.351 -6.126 483 2HB GLU 28 2HB GLU 28 -15.283 -2.755 -6.532 484 1HG GLU 28 1HG GLU 28 -17.971 -3.584 -5.740 485 2HG GLU 28 2HG GLU 28 -18.064 -2.379 -7.009 486 H LYS 29 H LYS 29 -13.620 -3.676 -4.942 487 HA LYS 29 HA LYS 29 -14.141 -6.345 -5.253 488 1HB LYS 29 1HB LYS 29 -12.042 -5.361 -5.901 489 2HB LYS 29 2HB LYS 29 -11.664 -4.922 -4.247 490 1HG LYS 29 1HG LYS 29 -10.446 -6.906 -4.453 491 2HG LYS 29 2HG LYS 29 -11.941 -7.516 -3.772 492 1HD LYS 29 1HD LYS 29 -11.992 -7.326 -6.733 493 2HD LYS 29 2HD LYS 29 -10.759 -8.415 -6.129 494 1HE LYS 29 1HE LYS 29 -13.664 -8.529 -5.199 495 2HE LYS 29 2HE LYS 29 -13.063 -9.466 -6.552 496 1HZ LYS 29 1HZ LYS 29 -12.222 -10.908 -5.140 497 2HZ LYS 29 2HZ LYS 29 -11.345 -9.767 -4.368 498 3HZ LYS 29 3HZ LYS 29 -12.873 -10.087 -3.887 499 H PHE 30 H PHE 30 -12.694 -4.903 -2.244 500 HA PHE 30 HA PHE 30 -13.357 -7.258 -0.790 501 1HB PHE 30 1HB PHE 30 -12.403 -4.434 -0.017 502 2HB PHE 30 2HB PHE 30 -12.424 -5.785 1.099 503 HD1 PHE 30 1HD PHE 30 -10.893 -7.715 0.727 504 HD2 PHE 30 2HD PHE 30 -10.652 -4.184 -1.615 505 HE1 PHE 30 1HE PHE 30 -8.585 -8.365 -0.017 506 HE2 PHE 30 2HE PHE 30 -8.345 -4.834 -2.359 507 HZ PHE 30 HZ PHE 30 -7.339 -6.917 -1.551 508 H GLY 31 H GLY 31 -15.281 -4.753 -1.885 509 1HA GLY 31 1HA GLY 31 -17.254 -3.872 -1.248 510 2HA GLY 31 2HA GLY 31 -17.546 -5.442 -0.526 511 H VAL 32 H VAL 32 -15.339 -2.650 0.252 512 HA VAL 32 HA VAL 32 -16.514 -2.684 2.946 513 HB VAL 32 HB VAL 32 -14.212 -3.536 2.872 514 1HG1 VAL 32 1HG1 VAL 32 -12.716 -2.651 1.475 515 2HG1 VAL 32 2HG1 VAL 32 -13.823 -1.313 1.084 516 3HG1 VAL 32 3HG1 VAL 32 -12.707 -1.170 2.463 517 1HG2 VAL 32 1HG2 VAL 32 -13.334 -2.189 4.669 518 2HG2 VAL 32 2HG2 VAL 32 -14.341 -0.803 4.185 519 3HG2 VAL 32 3HG2 VAL 32 -15.104 -2.272 4.839 520 H SER 33 H SER 33 -18.068 -1.264 1.478 521 HA SER 33 HA SER 33 -16.944 1.419 1.358 522 1HB SER 33 1HB SER 33 -18.810 1.924 -0.212 523 2HB SER 33 2HB SER 33 -17.795 0.620 -0.793 524 HG SER 33 HG SER 33 -20.326 0.298 0.583 525 H ALA 34 H ALA 34 -17.270 1.435 3.799 526 HA ALA 34 HA ALA 34 -19.565 2.866 4.463 527 1HB ALA 34 1HB ALA 34 -20.088 0.680 6.149 528 2HB ALA 34 2HB ALA 34 -21.083 1.235 4.781 529 3HB ALA 34 3HB ALA 34 -19.860 -0.035 4.535 530 H ALA 35 H ALA 35 -18.085 4.248 5.459 531 HA ALA 35 HA ALA 35 -17.238 3.440 8.062 532 1HB ALA 35 1HB ALA 35 -14.790 4.033 7.525 533 2HB ALA 35 2HB ALA 35 -15.375 2.443 6.979 534 3HB ALA 35 3HB ALA 35 -15.227 3.783 5.817 535 H ALA 36 H ALA 36 -18.548 5.193 8.724 536 HA ALA 36 HA ALA 36 -18.988 7.296 9.253 537 1HB ALA 36 1HB ALA 36 -16.272 8.089 8.158 538 2HB ALA 36 2HB ALA 36 -17.192 8.835 9.487 539 3HB ALA 36 3HB ALA 36 -16.455 7.229 9.706 540 H ALA 37 H ALA 37 -20.295 8.779 8.254 541 HA ALA 37 HA ALA 37 -20.516 8.659 5.427 542 1HB ALA 37 1HB ALA 37 -22.505 8.962 6.714 543 2HB ALA 37 2HB ALA 37 -21.803 10.330 7.612 544 3HB ALA 37 3HB ALA 37 -22.218 10.514 5.891 Start of MODEL 16 1 1H SER 1 H SER 1 5.833 -1.920 -15.307 2 HA SER 1 HA SER 1 3.630 -1.775 -15.246 3 1HB SER 1 1HB SER 1 2.546 -4.017 -15.070 4 2HB SER 1 2HB SER 1 4.004 -4.052 -16.042 5 HG SER 1 HG SER 1 3.949 -4.738 -13.229 6 H ILE 2 H ILE 2 3.740 -0.246 -13.308 7 HA ILE 2 HA ILE 2 2.749 -1.522 -10.868 8 HB ILE 2 HB ILE 2 3.726 1.308 -11.220 9 1HG1 ILE 2 1HG1 ILE 2 5.318 -1.158 -10.460 10 2HG1 ILE 2 2HG1 ILE 2 5.515 -0.198 -11.913 11 1HG2 ILE 2 1HG2 ILE 2 3.918 1.345 -8.846 12 2HG2 ILE 2 2HG2 ILE 2 2.293 0.733 -9.238 13 3HG2 ILE 2 3HG2 ILE 2 3.569 -0.397 -8.725 14 1HD1 ILE 2 1HD1 ILE 2 6.171 0.545 -9.052 15 2HD1 ILE 2 2HD1 ILE 2 7.193 0.666 -10.504 16 3HD1 ILE 2 3HD1 ILE 2 5.861 1.820 -10.255 17 H THR 3 H THR 3 0.782 -1.798 -12.536 18 HA THR 3 HA THR 3 -0.799 0.567 -12.875 19 HB THR 3 HB THR 3 -2.308 -0.968 -13.985 20 HG1 THR 3 1HG THR 3 -0.714 -2.972 -12.548 21 1HG2 THR 3 1HG2 THR 3 -0.918 -1.921 -15.592 22 2HG2 THR 3 2HG2 THR 3 0.296 -0.891 -14.797 23 3HG2 THR 3 3HG2 THR 3 0.176 -2.616 -14.372 24 H LYS 4 H LYS 4 -3.069 0.733 -12.047 25 HA LYS 4 HA LYS 4 -3.027 0.688 -9.247 26 1HB LYS 4 1HB LYS 4 -4.890 1.464 -11.396 27 2HB LYS 4 2HB LYS 4 -5.679 0.941 -9.922 28 1HG LYS 4 1HG LYS 4 -4.434 2.570 -8.589 29 2HG LYS 4 2HG LYS 4 -3.409 2.981 -9.949 30 1HD LYS 4 1HD LYS 4 -6.423 3.459 -9.792 31 2HD LYS 4 2HD LYS 4 -5.187 4.688 -9.604 32 1HE LYS 4 1HE LYS 4 -4.385 3.756 -11.999 33 2HE LYS 4 2HE LYS 4 -6.054 3.231 -12.102 34 1HZ LYS 4 1HZ LYS 4 -5.653 5.482 -12.945 35 2HZ LYS 4 2HZ LYS 4 -6.772 5.448 -11.756 36 3HZ LYS 4 3HZ LYS 4 -5.260 5.980 -11.441 37 H ASP 5 H ASP 5 -4.229 -1.593 -11.726 38 HA ASP 5 HA ASP 5 -5.847 -3.094 -10.107 39 1HB ASP 5 1HB ASP 5 -4.176 -3.691 -12.563 40 2HB ASP 5 2HB ASP 5 -5.017 -5.006 -11.766 41 H GLN 6 H GLN 6 -2.299 -3.278 -10.814 42 HA GLN 6 HA GLN 6 -1.746 -5.635 -9.561 43 1HB GLN 6 1HB GLN 6 -0.253 -3.242 -10.419 44 2HB GLN 6 2HB GLN 6 0.490 -4.030 -9.041 45 1HG GLN 6 1HG GLN 6 1.229 -4.874 -11.352 46 2HG GLN 6 2HG GLN 6 0.738 -6.107 -10.207 47 1HE2 GLN 6 1HE2 GLN 6 -0.050 -7.653 -11.462 48 2HE2 GLN 6 2HE2 GLN 6 -1.385 -7.498 -12.555 49 H ILE 7 H ILE 7 -2.544 -2.474 -8.197 50 HA ILE 7 HA ILE 7 -1.433 -3.077 -5.621 51 HB ILE 7 HB ILE 7 -3.244 -0.841 -6.540 52 1HG1 ILE 7 1HG1 ILE 7 -1.263 -0.676 -7.816 53 2HG1 ILE 7 2HG1 ILE 7 -1.095 0.481 -6.511 54 1HG2 ILE 7 1HG2 ILE 7 -2.422 0.326 -4.518 55 2HG2 ILE 7 2HG2 ILE 7 -3.390 -1.120 -4.146 56 3HG2 ILE 7 3HG2 ILE 7 -1.617 -1.177 -4.007 57 1HD1 ILE 7 1HD1 ILE 7 0.230 -2.243 -6.776 58 2HD1 ILE 7 2HD1 ILE 7 1.004 -0.650 -6.598 59 3HD1 ILE 7 3HD1 ILE 7 0.156 -1.386 -5.217 60 H ILE 8 H ILE 8 -4.519 -3.435 -7.330 61 HA ILE 8 HA ILE 8 -6.160 -3.740 -5.091 62 HB ILE 8 HB ILE 8 -6.389 -4.921 -7.861 63 1HG1 ILE 8 1HG1 ILE 8 -6.169 -2.506 -7.946 64 2HG1 ILE 8 2HG1 ILE 8 -7.809 -2.981 -8.343 65 1HG2 ILE 8 1HG2 ILE 8 -8.854 -4.915 -7.308 66 2HG2 ILE 8 2HG2 ILE 8 -7.869 -6.134 -6.463 67 3HG2 ILE 8 3HG2 ILE 8 -8.389 -4.661 -5.608 68 1HD1 ILE 8 1HD1 ILE 8 -7.882 -1.074 -6.813 69 2HD1 ILE 8 2HD1 ILE 8 -8.488 -2.513 -5.959 70 3HD1 ILE 8 3HD1 ILE 8 -6.838 -1.923 -5.649 71 H GLU 9 H GLU 9 -4.241 -6.119 -7.027 72 HA GLU 9 HA GLU 9 -5.113 -8.285 -5.460 73 1HB GLU 9 1HB GLU 9 -2.698 -8.021 -7.307 74 2HB GLU 9 2HB GLU 9 -3.303 -9.534 -6.661 75 1HG GLU 9 1HG GLU 9 -5.619 -8.634 -7.719 76 2HG GLU 9 2HG GLU 9 -4.522 -7.734 -8.748 77 H ALA 10 H ALA 10 -2.847 -5.732 -4.945 78 HA ALA 10 HA ALA 10 -0.979 -7.222 -3.383 79 1HB ALA 10 1HB ALA 10 0.042 -5.079 -3.004 80 2HB ALA 10 2HB ALA 10 -0.529 -5.091 -4.690 81 3HB ALA 10 3HB ALA 10 -1.454 -4.220 -3.443 82 H VAL 11 H VAL 11 -4.030 -5.474 -2.851 83 HA VAL 11 HA VAL 11 -3.677 -5.493 0.012 84 HB VAL 11 HB VAL 11 -5.823 -4.586 -1.894 85 1HG1 VAL 11 1HG1 VAL 11 -5.974 -4.774 1.128 86 2HG1 VAL 11 2HG1 VAL 11 -7.016 -3.705 0.158 87 3HG1 VAL 11 3HG1 VAL 11 -7.089 -5.468 -0.074 88 1HG2 VAL 11 1HG2 VAL 11 -4.115 -2.986 -1.782 89 2HG2 VAL 11 2HG2 VAL 11 -5.320 -2.399 -0.610 90 3HG2 VAL 11 3HG2 VAL 11 -3.859 -3.239 -0.039 91 H ALA 12 H ALA 12 -5.037 -7.507 -2.543 92 HA ALA 12 HA ALA 12 -6.551 -9.066 -0.609 93 1HB ALA 12 1HB ALA 12 -6.999 -8.351 -3.232 94 2HB ALA 12 2HB ALA 12 -6.349 -9.999 -3.407 95 3HB ALA 12 3HB ALA 12 -7.787 -9.712 -2.398 96 H ALA 13 H ALA 13 -3.419 -8.752 -0.963 97 HA ALA 13 HA ALA 13 -2.873 -11.627 -1.225 98 1HB ALA 13 1HB ALA 13 -0.482 -10.762 -1.561 99 2HB ALA 13 2HB ALA 13 -1.641 -10.415 -2.866 100 3HB ALA 13 3HB ALA 13 -1.200 -9.140 -1.705 101 H MET 14 H MET 14 -2.817 -8.768 0.854 102 HA MET 14 HA MET 14 -1.172 -10.164 2.778 103 1HB MET 14 1HB MET 14 -2.389 -7.345 2.777 104 2HB MET 14 2HB MET 14 -1.257 -7.938 3.977 105 1HG MET 14 1HG MET 14 0.493 -8.222 2.260 106 2HG MET 14 2HG MET 14 -0.636 -7.802 0.987 107 1HE MET 14 1HE MET 14 1.881 -4.859 1.243 108 2HE MET 14 2HE MET 14 1.732 -6.574 0.793 109 3HE MET 14 3HE MET 14 0.665 -5.362 0.044 110 H SER 15 H SER 15 -1.917 -9.875 5.194 111 HA SER 15 HA SER 15 -4.385 -11.199 5.376 112 1HB SER 15 1HB SER 15 -3.835 -10.495 7.962 113 2HB SER 15 2HB SER 15 -3.129 -11.880 7.155 114 HG SER 15 HG SER 15 -1.966 -9.233 7.349 115 H VAL 16 H VAL 16 -6.222 -10.434 6.847 116 HA VAL 16 HA VAL 16 -7.225 -8.017 5.927 117 HB VAL 16 HB VAL 16 -7.926 -9.764 8.287 118 1HG1 VAL 16 1HG1 VAL 16 -8.950 -7.834 8.997 119 2HG1 VAL 16 2HG1 VAL 16 -9.128 -7.186 7.348 120 3HG1 VAL 16 3HG1 VAL 16 -10.216 -8.473 7.921 121 1HG2 VAL 16 1HG2 VAL 16 -9.769 -10.515 6.847 122 2HG2 VAL 16 2HG2 VAL 16 -9.199 -9.440 5.548 123 3HG2 VAL 16 3HG2 VAL 16 -8.189 -10.806 6.080 124 H MET 17 H MET 17 -5.507 -8.879 8.982 125 HA MET 17 HA MET 17 -5.893 -6.500 10.278 126 1HB MET 17 1HB MET 17 -3.889 -8.744 10.331 127 2HB MET 17 2HB MET 17 -3.379 -7.266 11.123 128 1HG MET 17 1HG MET 17 -6.091 -8.531 11.704 129 2HG MET 17 2HG MET 17 -4.646 -9.019 12.568 130 1HE MET 17 1HE MET 17 -5.085 -8.035 15.109 131 2HE MET 17 2HE MET 17 -6.385 -6.822 15.199 132 3HE MET 17 3HE MET 17 -6.633 -8.326 14.280 133 H ASP 18 H ASP 18 -3.320 -7.461 7.930 134 HA ASP 18 HA ASP 18 -1.747 -5.231 8.261 135 1HB ASP 18 1HB ASP 18 -1.061 -7.264 7.014 136 2HB ASP 18 2HB ASP 18 -2.254 -6.931 5.774 137 H VAL 19 H VAL 19 -4.786 -5.812 6.513 138 HA VAL 19 HA VAL 19 -4.535 -3.485 4.848 139 HB VAL 19 HB VAL 19 -6.766 -5.451 5.384 140 1HG1 VAL 19 1HG1 VAL 19 -6.650 -3.177 3.374 141 2HG1 VAL 19 2HG1 VAL 19 -7.880 -4.463 3.398 142 3HG1 VAL 19 3HG1 VAL 19 -7.759 -3.322 4.759 143 1HG2 VAL 19 1HG2 VAL 19 -4.943 -5.095 2.980 144 2HG2 VAL 19 2HG2 VAL 19 -4.801 -6.371 4.213 145 3HG2 VAL 19 3HG2 VAL 19 -6.232 -6.309 3.157 146 H VAL 20 H VAL 20 -5.949 -4.396 7.985 147 HA VAL 20 HA VAL 20 -7.602 -2.140 8.261 148 HB VAL 20 HB VAL 20 -6.336 -4.114 10.143 149 1HG1 VAL 20 1HG1 VAL 20 -7.998 -3.046 11.849 150 2HG1 VAL 20 2HG1 VAL 20 -6.405 -2.295 11.591 151 3HG1 VAL 20 3HG1 VAL 20 -7.852 -1.602 10.819 152 1HG2 VAL 20 1HG2 VAL 20 -8.752 -4.721 10.504 153 2HG2 VAL 20 2HG2 VAL 20 -9.170 -3.586 9.199 154 3HG2 VAL 20 3HG2 VAL 20 -8.152 -5.004 8.853 155 H GLU 21 H GLU 21 -4.247 -2.867 9.451 156 HA GLU 21 HA GLU 21 -3.833 -0.429 10.630 157 1HB GLU 21 1HB GLU 21 -1.996 -2.504 9.413 158 2HB GLU 21 2HB GLU 21 -1.325 -1.006 10.025 159 1HG GLU 21 1HG GLU 21 -3.166 -2.788 11.681 160 2HG GLU 21 2HG GLU 21 -1.421 -2.954 11.695 161 H LEU 22 H LEU 22 -3.222 -1.503 7.230 162 HA LEU 22 HA LEU 22 -1.986 0.786 6.318 163 1HB LEU 22 1HB LEU 22 -2.146 -1.348 5.119 164 2HB LEU 22 2HB LEU 22 -3.859 -1.082 4.857 165 HG LEU 22 HG LEU 22 -2.954 1.173 3.735 166 1HD1 LEU 22 1HD1 LEU 22 -0.660 -0.777 3.391 167 2HD1 LEU 22 2HD1 LEU 22 -0.883 0.731 2.472 168 3HD1 LEU 22 3HD1 LEU 22 -0.612 0.791 4.231 169 1HD2 LEU 22 1HD2 LEU 22 -2.950 -0.078 1.544 170 2HD2 LEU 22 2HD2 LEU 22 -3.132 -1.576 2.488 171 3HD2 LEU 22 3HD2 LEU 22 -4.387 -0.316 2.568 172 H ILE 23 H ILE 23 -5.508 -0.038 5.913 173 HA ILE 23 HA ILE 23 -6.313 2.359 4.928 174 HB ILE 23 HB ILE 23 -7.662 0.293 6.633 175 1HG1 ILE 23 1HG1 ILE 23 -8.181 1.126 3.769 176 2HG1 ILE 23 2HG1 ILE 23 -7.012 -0.103 4.210 177 1HG2 ILE 23 1HG2 ILE 23 -9.825 1.449 6.104 178 2HG2 ILE 23 2HG2 ILE 23 -8.796 2.285 7.292 179 3HG2 ILE 23 3HG2 ILE 23 -8.874 2.872 5.614 180 1HD1 ILE 23 1HD1 ILE 23 -10.022 -0.144 4.605 181 2HD1 ILE 23 2HD1 ILE 23 -8.994 -1.333 3.769 182 3HD1 ILE 23 3HD1 ILE 23 -8.957 -1.217 5.545 183 H SER 24 H SER 24 -5.827 1.433 8.382 184 HA SER 24 HA SER 24 -6.930 3.727 9.439 185 1HB SER 24 1HB SER 24 -5.036 1.604 10.392 186 2HB SER 24 2HB SER 24 -5.108 3.075 11.341 187 HG SER 24 HG SER 24 -7.525 2.752 11.318 188 H ALA 25 H ALA 25 -3.640 2.974 8.219 189 HA ALA 25 HA ALA 25 -2.310 5.173 9.279 190 1HB ALA 25 1HB ALA 25 -1.831 3.702 6.655 191 2HB ALA 25 2HB ALA 25 -0.645 4.687 7.544 192 3HB ALA 25 3HB ALA 25 -1.253 3.172 8.252 193 H MET 26 H MET 26 -3.495 4.762 5.861 194 HA MET 26 HA MET 26 -3.016 7.291 5.064 195 1HB MET 26 1HB MET 26 -5.270 5.347 4.345 196 2HB MET 26 2HB MET 26 -5.014 6.831 3.450 197 1HG MET 26 1HG MET 26 -2.659 6.106 2.944 198 2HG MET 26 2HG MET 26 -2.941 4.612 3.814 199 1HE MET 26 1HE MET 26 -2.664 2.844 2.132 200 2HE MET 26 2HE MET 26 -3.164 2.954 0.427 201 3HE MET 26 3HE MET 26 -1.944 4.079 1.071 202 H GLU 27 H GLU 27 -5.863 6.047 6.873 203 HA GLU 27 HA GLU 27 -7.530 8.174 6.579 204 1HB GLU 27 1HB GLU 27 -7.103 6.092 8.702 205 2HB GLU 27 2HB GLU 27 -8.140 7.445 9.109 206 1HG GLU 27 1HG GLU 27 -9.447 7.000 6.967 207 2HG GLU 27 2HG GLU 27 -8.477 5.560 6.730 208 H GLU 28 H GLU 28 -4.882 7.694 9.002 209 HA GLU 28 HA GLU 28 -5.437 10.209 10.201 210 1HB GLU 28 1HB GLU 28 -4.467 8.105 11.340 211 2HB GLU 28 2HB GLU 28 -2.940 8.512 10.582 212 1HG GLU 28 1HG GLU 28 -3.513 10.939 11.654 213 2HG GLU 28 2HG GLU 28 -4.415 9.942 12.778 214 H LYS 29 H LYS 29 -2.933 8.829 7.993 215 HA LYS 29 HA LYS 29 -1.206 10.964 7.943 216 1HB LYS 29 1HB LYS 29 -0.649 8.831 6.968 217 2HB LYS 29 2HB LYS 29 -1.944 8.960 5.794 218 1HG LYS 29 1HG LYS 29 -0.216 9.736 4.466 219 2HG LYS 29 2HG LYS 29 -0.684 11.264 5.185 220 1HD LYS 29 1HD LYS 29 1.054 10.946 6.969 221 2HD LYS 29 2HD LYS 29 1.531 9.432 6.226 222 1HE LYS 29 1HE LYS 29 2.084 10.677 4.103 223 2HE LYS 29 2HE LYS 29 1.666 12.182 4.897 224 1HZ LYS 29 1HZ LYS 29 3.809 10.338 5.691 225 2HZ LYS 29 2HZ LYS 29 3.988 11.833 5.058 226 3HZ LYS 29 3HZ LYS 29 3.371 11.650 6.559 227 H PHE 30 H PHE 30 -3.718 10.292 5.400 228 HA PHE 30 HA PHE 30 -3.539 12.981 4.486 229 1HB PHE 30 1HB PHE 30 -5.467 10.630 4.007 230 2HB PHE 30 2HB PHE 30 -5.518 12.108 3.066 231 HD1 PHE 30 1HD PHE 30 -3.897 8.924 3.517 232 HD2 PHE 30 2HD PHE 30 -3.552 12.705 1.622 233 HE1 PHE 30 1HE PHE 30 -2.195 7.976 1.934 234 HE2 PHE 30 2HE PHE 30 -1.850 11.757 0.039 235 HZ PHE 30 HZ PHE 30 -1.192 9.404 0.214 236 H GLY 31 H GLY 31 -4.906 11.733 7.255 237 1HA GLY 31 1HA GLY 31 -6.586 12.360 8.626 238 2HA GLY 31 2HA GLY 31 -6.183 13.976 8.081 239 H VAL 32 H VAL 32 -7.776 11.104 6.507 240 HA VAL 32 HA VAL 32 -10.015 12.899 5.870 241 HB VAL 32 HB VAL 32 -8.539 12.338 3.942 242 1HG1 VAL 32 1HG1 VAL 32 -8.051 10.225 3.272 243 2HG1 VAL 32 2HG1 VAL 32 -8.349 9.850 4.986 244 3HG1 VAL 32 3HG1 VAL 32 -9.630 9.579 3.780 245 1HG2 VAL 32 1HG2 VAL 32 -10.745 12.984 3.398 246 2HG2 VAL 32 2HG2 VAL 32 -10.459 11.490 2.474 247 3HG2 VAL 32 3HG2 VAL 32 -11.429 11.443 3.966 248 H SER 33 H SER 33 -10.489 11.951 8.190 249 HA SER 33 HA SER 33 -12.304 9.779 7.690 250 1HB SER 33 1HB SER 33 -10.238 8.625 8.421 251 2HB SER 33 2HB SER 33 -10.156 9.633 9.852 252 HG SER 33 HG SER 33 -11.141 7.450 10.139 253 H ALA 34 H ALA 34 -13.674 11.797 7.943 254 HA ALA 34 HA ALA 34 -14.911 11.843 10.404 255 1HB ALA 34 1HB ALA 34 -13.523 13.088 11.672 256 2HB ALA 34 2HB ALA 34 -12.509 13.513 10.272 257 3HB ALA 34 3HB ALA 34 -13.968 14.466 10.636 258 H ALA 35 H ALA 35 -16.277 11.543 8.330 259 HA ALA 35 HA ALA 35 -17.756 13.906 7.946 260 1HB ALA 35 1HB ALA 35 -16.067 12.993 5.582 261 2HB ALA 35 2HB ALA 35 -17.299 14.277 5.561 262 3HB ALA 35 3HB ALA 35 -15.812 14.486 6.516 263 H ALA 36 H ALA 36 -19.088 12.068 8.859 264 HA ALA 36 HA ALA 36 -19.630 9.710 7.691 265 1HB ALA 36 1HB ALA 36 -20.645 10.630 9.777 266 2HB ALA 36 2HB ALA 36 -21.693 11.668 8.780 267 3HB ALA 36 3HB ALA 36 -21.852 9.897 8.693 268 H ALA 37 H ALA 37 -19.984 9.149 5.606 269 HA ALA 37 HA ALA 37 -22.117 10.322 4.159 270 1HB ALA 37 1HB ALA 37 -19.955 11.914 4.021 271 2HB ALA 37 2HB ALA 37 -19.517 10.756 2.742 272 3HB ALA 37 3HB ALA 37 -21.043 11.666 2.634 273 1H SER 1 H SER 1 9.771 -3.703 -2.336 274 HA SER 1 HA SER 1 9.906 -4.321 0.479 275 1HB SER 1 1HB SER 1 11.157 -1.900 -0.832 276 2HB SER 1 2HB SER 1 10.491 -1.748 0.781 277 HG SER 1 HG SER 1 12.503 -3.665 -0.043 278 H ILE 2 H ILE 2 7.584 -4.751 -0.108 279 HA ILE 2 HA ILE 2 6.084 -2.297 -0.652 280 HB ILE 2 HB ILE 2 5.103 -5.143 -0.790 281 1HG1 ILE 2 1HG1 ILE 2 6.325 -3.461 -2.998 282 2HG1 ILE 2 2HG1 ILE 2 7.011 -4.915 -2.299 283 1HG2 ILE 2 1HG2 ILE 2 3.949 -2.991 -2.464 284 2HG2 ILE 2 2HG2 ILE 2 3.162 -4.335 -1.603 285 3HG2 ILE 2 3HG2 ILE 2 3.648 -2.871 -0.714 286 1HD1 ILE 2 1HD1 ILE 2 4.462 -4.669 -3.944 287 2HD1 ILE 2 2HD1 ILE 2 5.923 -5.614 -4.319 288 3HD1 ILE 2 3HD1 ILE 2 4.847 -6.126 -2.997 289 H THR 3 H THR 3 6.926 -1.944 1.765 290 HA THR 3 HA THR 3 5.345 -3.328 3.729 291 HB THR 3 HB THR 3 6.500 -1.571 5.215 292 HG1 THR 3 1HG THR 3 8.163 -0.380 3.923 293 1HG2 THR 3 1HG2 THR 3 8.792 -2.442 4.881 294 2HG2 THR 3 2HG2 THR 3 7.630 -3.781 4.724 295 3HG2 THR 3 3HG2 THR 3 8.347 -3.050 3.268 296 H LYS 4 H LYS 4 3.901 -2.188 5.265 297 HA LYS 4 HA LYS 4 1.787 -1.053 3.913 298 1HB LYS 4 1HB LYS 4 2.593 -1.255 6.796 299 2HB LYS 4 2HB LYS 4 1.225 -0.248 6.367 300 1HG LYS 4 1HG LYS 4 0.121 -2.146 5.239 301 2HG LYS 4 2HG LYS 4 1.525 -3.162 5.500 302 1HD LYS 4 1HD LYS 4 -0.046 -1.884 7.784 303 2HD LYS 4 2HD LYS 4 -0.399 -3.484 7.163 304 1HE LYS 4 1HE LYS 4 1.142 -4.243 8.662 305 2HE LYS 4 2HE LYS 4 2.353 -3.623 7.557 306 1HZ LYS 4 1HZ LYS 4 1.452 -2.537 10.054 307 2HZ LYS 4 2HZ LYS 4 2.914 -2.425 9.335 308 3HZ LYS 4 3HZ LYS 4 1.702 -1.429 8.880 309 H ASP 5 H ASP 5 4.492 0.517 5.723 310 HA ASP 5 HA ASP 5 3.496 3.073 5.561 311 1HB ASP 5 1HB ASP 5 6.277 1.889 5.785 312 2HB ASP 5 2HB ASP 5 6.102 3.623 5.604 313 H GLN 6 H GLN 6 5.778 1.220 3.421 314 HA GLN 6 HA GLN 6 6.484 3.224 1.737 315 1HB GLN 6 1HB GLN 6 6.225 0.239 1.461 316 2HB GLN 6 2HB GLN 6 6.527 1.167 0.006 317 1HG GLN 6 1HG GLN 6 8.207 1.538 2.520 318 2HG GLN 6 2HG GLN 6 8.595 0.317 1.324 319 1HE2 GLN 6 1HE2 GLN 6 10.191 2.542 2.089 320 2HE2 GLN 6 2HE2 GLN 6 10.426 3.568 0.713 321 H ILE 7 H ILE 7 3.395 1.549 2.021 322 HA ILE 7 HA ILE 7 2.546 2.236 -0.636 323 HB ILE 7 HB ILE 7 1.206 0.942 1.732 324 1HG1 ILE 7 1HG1 ILE 7 1.749 -0.305 -0.954 325 2HG1 ILE 7 2HG1 ILE 7 3.020 -0.210 0.249 326 1HG2 ILE 7 1HG2 ILE 7 -0.560 2.100 0.665 327 2HG2 ILE 7 2HG2 ILE 7 0.044 1.687 -0.957 328 3HG2 ILE 7 3HG2 ILE 7 -0.643 0.419 0.086 329 1HD1 ILE 7 1HD1 ILE 7 1.906 -1.630 1.753 330 2HD1 ILE 7 2HD1 ILE 7 0.305 -1.262 1.069 331 3HD1 ILE 7 3HD1 ILE 7 1.429 -2.321 0.184 332 H ILE 8 H ILE 8 2.281 3.514 2.682 333 HA ILE 8 HA ILE 8 0.173 5.268 2.273 334 HB ILE 8 HB ILE 8 2.585 5.601 4.060 335 1HG1 ILE 8 1HG1 ILE 8 1.693 3.458 4.534 336 2HG1 ILE 8 2HG1 ILE 8 1.095 4.533 5.783 337 1HG2 ILE 8 1HG2 ILE 8 1.638 7.596 4.443 338 2HG2 ILE 8 2HG2 ILE 8 0.090 7.122 3.704 339 3HG2 ILE 8 3HG2 ILE 8 0.450 6.666 5.386 340 1HD1 ILE 8 1HD1 ILE 8 -0.442 3.615 3.310 341 2HD1 ILE 8 2HD1 ILE 8 -0.741 3.117 4.993 342 3HD1 ILE 8 3HD1 ILE 8 -1.052 4.797 4.493 343 H GLU 9 H GLU 9 3.698 5.586 1.599 344 HA GLU 9 HA GLU 9 3.394 8.283 0.787 345 1HB GLU 9 1HB GLU 9 5.679 6.290 0.472 346 2HB GLU 9 2HB GLU 9 5.790 7.971 -0.011 347 1HG GLU 9 1HG GLU 9 4.855 7.336 2.793 348 2HG GLU 9 2HG GLU 9 6.562 7.182 2.427 349 H ALA 10 H ALA 10 2.817 5.190 -0.657 350 HA ALA 10 HA ALA 10 3.436 5.947 -3.341 351 1HB ALA 10 1HB ALA 10 1.673 3.669 -2.375 352 2HB ALA 10 2HB ALA 10 2.593 3.774 -3.895 353 3HB ALA 10 3HB ALA 10 3.451 3.600 -2.345 354 H VAL 11 H VAL 11 0.574 5.959 -1.188 355 HA VAL 11 HA VAL 11 -1.206 6.636 -3.331 356 HB VAL 11 HB VAL 11 -1.414 6.417 -0.336 357 1HG1 VAL 11 1HG1 VAL 11 -2.861 8.253 -0.835 358 2HG1 VAL 11 2HG1 VAL 11 -3.511 7.434 -2.275 359 3HG1 VAL 11 3HG1 VAL 11 -3.889 6.812 -0.651 360 1HG2 VAL 11 1HG2 VAL 11 -3.177 4.688 -1.095 361 2HG2 VAL 11 2HG2 VAL 11 -2.422 4.833 -2.701 362 3HG2 VAL 11 3HG2 VAL 11 -1.457 4.284 -1.310 363 H ALA 12 H ALA 12 1.003 8.292 -1.177 364 HA ALA 12 HA ALA 12 -0.334 10.839 -1.569 365 1HB ALA 12 1HB ALA 12 2.358 10.512 -0.267 366 2HB ALA 12 2HB ALA 12 1.020 11.610 0.148 367 3HB ALA 12 3HB ALA 12 0.918 9.884 0.568 368 H ALA 13 H ALA 13 1.491 8.837 -3.467 369 HA ALA 13 HA ALA 13 3.176 10.983 -4.522 370 1HB ALA 13 1HB ALA 13 4.324 9.138 -5.706 371 2HB ALA 13 2HB ALA 13 4.268 8.849 -3.950 372 3HB ALA 13 3HB ALA 13 3.153 7.980 -5.031 373 H MET 14 H MET 14 0.240 9.154 -5.062 374 HA MET 14 HA MET 14 0.259 9.886 -7.867 375 1HB MET 14 1HB MET 14 -1.691 8.175 -6.225 376 2HB MET 14 2HB MET 14 -1.743 8.358 -7.967 377 1HG MET 14 1HG MET 14 0.915 7.588 -7.495 378 2HG MET 14 2HG MET 14 0.020 6.653 -6.314 379 1HE MET 14 1HE MET 14 -1.286 3.819 -8.217 380 2HE MET 14 2HE MET 14 -0.224 4.392 -6.908 381 3HE MET 14 3HE MET 14 -1.930 4.897 -6.955 382 H SER 15 H SER 15 -2.047 10.570 -8.735 383 HA SER 15 HA SER 15 -2.668 12.944 -7.329 384 1HB SER 15 1HB SER 15 -4.592 12.796 -9.266 385 2HB SER 15 2HB SER 15 -2.973 13.408 -9.542 386 HG SER 15 HG SER 15 -2.936 11.868 -11.047 387 H VAL 16 H VAL 16 -5.007 13.557 -6.787 388 HA VAL 16 HA VAL 16 -6.082 11.685 -5.014 389 HB VAL 16 HB VAL 16 -7.258 14.178 -6.260 390 1HG1 VAL 16 1HG1 VAL 16 -9.014 12.718 -5.339 391 2HG1 VAL 16 2HG1 VAL 16 -8.150 12.663 -3.783 392 3HG1 VAL 16 3HG1 VAL 16 -8.821 14.202 -4.375 393 1HG2 VAL 16 1HG2 VAL 16 -5.564 13.664 -3.817 394 2HG2 VAL 16 2HG2 VAL 16 -5.348 14.874 -5.105 395 3HG2 VAL 16 3HG2 VAL 16 -6.648 15.074 -3.906 396 H MET 17 H MET 17 -7.013 12.677 -8.364 397 HA MET 17 HA MET 17 -9.316 11.192 -8.508 398 1HB MET 17 1HB MET 17 -7.277 12.285 -10.456 399 2HB MET 17 2HB MET 17 -8.431 11.130 -11.093 400 1HG MET 17 1HG MET 17 -10.270 12.602 -9.974 401 2HG MET 17 2HG MET 17 -9.020 13.815 -9.778 402 1HE MET 17 1HE MET 17 -11.489 14.578 -12.891 403 2HE MET 17 2HE MET 17 -11.706 13.991 -11.225 404 3HE MET 17 3HE MET 17 -10.738 15.452 -11.535 405 H ASP 18 H ASP 18 -5.907 10.276 -9.319 406 HA ASP 18 HA ASP 18 -6.484 7.813 -10.375 407 1HB ASP 18 1HB ASP 18 -4.267 8.753 -10.592 408 2HB ASP 18 2HB ASP 18 -4.078 8.892 -8.856 409 H VAL 19 H VAL 19 -6.277 9.011 -7.026 410 HA VAL 19 HA VAL 19 -6.010 6.405 -5.865 411 HB VAL 19 HB VAL 19 -6.423 9.199 -4.821 412 1HG1 VAL 19 1HG1 VAL 19 -6.030 8.130 -2.526 413 2HG1 VAL 19 2HG1 VAL 19 -7.649 7.943 -3.243 414 3HG1 VAL 19 3HG1 VAL 19 -6.492 6.591 -3.292 415 1HG2 VAL 19 1HG2 VAL 19 -4.174 8.459 -5.681 416 2HG2 VAL 19 2HG2 VAL 19 -4.189 8.985 -3.980 417 3HG2 VAL 19 3HG2 VAL 19 -4.142 7.250 -4.374 418 H VAL 20 H VAL 20 -8.607 8.615 -6.827 419 HA VAL 20 HA VAL 20 -10.627 7.476 -5.233 420 HB VAL 20 HB VAL 20 -10.518 9.154 -7.719 421 1HG1 VAL 20 1HG1 VAL 20 -12.443 7.878 -8.206 422 2HG1 VAL 20 2HG1 VAL 20 -12.964 7.854 -6.505 423 3HG1 VAL 20 3HG1 VAL 20 -13.058 9.364 -7.443 424 1HG2 VAL 20 1HG2 VAL 20 -10.064 10.153 -5.481 425 2HG2 VAL 20 2HG2 VAL 20 -11.485 10.854 -6.293 426 3HG2 VAL 20 3HG2 VAL 20 -11.703 9.680 -4.974 427 H GLU 21 H GLU 21 -9.202 6.675 -8.420 428 HA GLU 21 HA GLU 21 -11.201 4.864 -9.139 429 1HB GLU 21 1HB GLU 21 -8.328 5.299 -10.009 430 2HB GLU 21 2HB GLU 21 -9.263 3.966 -10.658 431 1HG GLU 21 1HG GLU 21 -10.225 6.863 -10.716 432 2HG GLU 21 2HG GLU 21 -9.334 6.124 -12.031 433 H LEU 22 H LEU 22 -7.914 4.415 -7.657 434 HA LEU 22 HA LEU 22 -8.026 1.679 -7.349 435 1HB LEU 22 1HB LEU 22 -6.056 3.136 -7.033 436 2HB LEU 22 2HB LEU 22 -6.739 3.718 -5.528 437 HG LEU 22 HG LEU 22 -6.757 1.200 -4.836 438 1HD1 LEU 22 1HD1 LEU 22 -4.518 1.073 -6.861 439 2HD1 LEU 22 2HD1 LEU 22 -5.202 -0.241 -5.874 440 3HD1 LEU 22 3HD1 LEU 22 -6.160 0.472 -7.194 441 1HD2 LEU 22 1HD2 LEU 22 -4.139 2.712 -5.044 442 2HD2 LEU 22 2HD2 LEU 22 -5.392 2.981 -3.810 443 3HD2 LEU 22 3HD2 LEU 22 -4.538 1.421 -3.887 444 H ILE 23 H ILE 23 -8.884 4.202 -4.870 445 HA ILE 23 HA ILE 23 -9.822 2.512 -2.954 446 HB ILE 23 HB ILE 23 -10.503 5.317 -3.751 447 1HG1 ILE 23 1HG1 ILE 23 -9.190 4.158 -1.275 448 2HG1 ILE 23 2HG1 ILE 23 -8.323 4.758 -2.675 449 1HG2 ILE 23 1HG2 ILE 23 -12.599 4.505 -2.896 450 2HG2 ILE 23 2HG2 ILE 23 -11.792 3.753 -1.500 451 3HG2 ILE 23 3HG2 ILE 23 -11.829 5.525 -1.657 452 1HD1 ILE 23 1HD1 ILE 23 -9.722 6.957 -2.322 453 2HD1 ILE 23 2HD1 ILE 23 -10.010 6.306 -0.691 454 3HD1 ILE 23 3HD1 ILE 23 -8.348 6.629 -1.239 455 H SER 24 H SER 24 -11.445 3.633 -5.948 456 HA SER 24 HA SER 24 -13.977 2.746 -5.156 457 1HB SER 24 1HB SER 24 -12.696 3.634 -7.734 458 2HB SER 24 2HB SER 24 -14.241 2.812 -7.831 459 HG SER 24 HG SER 24 -13.604 5.291 -6.511 460 H ALA 25 H ALA 25 -11.242 1.293 -6.982 461 HA ALA 25 HA ALA 25 -12.569 -0.948 -7.955 462 1HB ALA 25 1HB ALA 25 -10.091 -1.882 -7.716 463 2HB ALA 25 2HB ALA 25 -10.479 -0.604 -8.893 464 3HB ALA 25 3HB ALA 25 -9.729 -0.181 -7.336 465 H MET 26 H MET 26 -10.428 -0.700 -5.020 466 HA MET 26 HA MET 26 -10.926 -3.193 -4.076 467 1HB MET 26 1HB MET 26 -10.384 -0.536 -2.655 468 2HB MET 26 2HB MET 26 -10.418 -2.052 -1.776 469 1HG MET 26 1HG MET 26 -8.617 -2.956 -3.270 470 2HG MET 26 2HG MET 26 -8.579 -1.435 -4.141 471 1HE MET 26 1HE MET 26 -5.343 -0.774 -2.290 472 2HE MET 26 2HE MET 26 -5.880 -2.230 -3.161 473 3HE MET 26 3HE MET 26 -6.279 -0.615 -3.796 474 H GLU 27 H GLU 27 -12.812 -0.163 -3.531 475 HA GLU 27 HA GLU 27 -14.455 -1.016 -1.561 476 1HB GLU 27 1HB GLU 27 -14.616 0.986 -3.757 477 2HB GLU 27 2HB GLU 27 -16.164 0.515 -3.086 478 1HG GLU 27 1HG GLU 27 -15.224 0.975 -0.764 479 2HG GLU 27 2HG GLU 27 -13.771 1.592 -1.524 480 H GLU 28 H GLU 28 -14.739 -1.580 -5.115 481 HA GLU 28 HA GLU 28 -17.233 -2.898 -4.799 482 1HB GLU 28 1HB GLU 28 -16.378 -1.587 -6.860 483 2HB GLU 28 2HB GLU 28 -15.418 -3.004 -7.238 484 1HG GLU 28 1HG GLU 28 -18.244 -3.647 -6.611 485 2HG GLU 28 2HG GLU 28 -18.070 -2.592 -8.000 486 H LYS 29 H LYS 29 -13.815 -3.880 -5.482 487 HA LYS 29 HA LYS 29 -14.271 -6.563 -5.897 488 1HB LYS 29 1HB LYS 29 -12.157 -5.522 -6.405 489 2HB LYS 29 2HB LYS 29 -11.886 -5.109 -4.724 490 1HG LYS 29 1HG LYS 29 -10.768 -7.083 -4.555 491 2HG LYS 29 2HG LYS 29 -12.337 -7.861 -4.593 492 1HD LYS 29 1HD LYS 29 -10.755 -7.170 -7.110 493 2HD LYS 29 2HD LYS 29 -10.651 -8.725 -6.309 494 1HE LYS 29 1HE LYS 29 -13.265 -8.783 -6.520 495 2HE LYS 29 2HE LYS 29 -13.066 -7.482 -7.677 496 1HZ LYS 29 1HZ LYS 29 -11.740 -10.098 -7.859 497 2HZ LYS 29 2HZ LYS 29 -13.050 -9.645 -8.721 498 3HZ LYS 29 3HZ LYS 29 -11.620 -8.891 -8.953 499 H PHE 30 H PHE 30 -13.057 -5.116 -2.787 500 HA PHE 30 HA PHE 30 -13.747 -7.495 -1.391 501 1HB PHE 30 1HB PHE 30 -12.934 -4.643 -0.569 502 2HB PHE 30 2HB PHE 30 -13.030 -5.973 0.568 503 HD1 PHE 30 1HD PHE 30 -11.438 -7.879 0.372 504 HD2 PHE 30 2HD PHE 30 -11.054 -4.390 -2.013 505 HE1 PHE 30 1HE PHE 30 -9.063 -8.499 -0.152 506 HE2 PHE 30 2HE PHE 30 -8.679 -5.010 -2.537 507 HZ PHE 30 HZ PHE 30 -7.712 -7.057 -1.601 508 H GLY 31 H GLY 31 -15.686 -5.087 -2.635 509 1HA GLY 31 1HA GLY 31 -17.739 -4.294 -2.151 510 2HA GLY 31 2HA GLY 31 -18.011 -5.877 -1.452 511 H VAL 32 H VAL 32 -15.855 -3.134 -0.433 512 HA VAL 32 HA VAL 32 -17.277 -3.180 2.139 513 HB VAL 32 HB VAL 32 -14.901 -3.965 2.117 514 1HG1 VAL 32 1HG1 VAL 32 -13.130 -2.667 1.480 515 2HG1 VAL 32 2HG1 VAL 32 -14.362 -2.010 0.375 516 3HG1 VAL 32 3HG1 VAL 32 -13.959 -1.142 1.875 517 1HG2 VAL 32 1HG2 VAL 32 -15.595 -1.486 3.724 518 2HG2 VAL 32 2HG2 VAL 32 -15.868 -3.184 4.180 519 3HG2 VAL 32 3HG2 VAL 32 -14.209 -2.550 4.065 520 H SER 33 H SER 33 -18.710 -1.782 0.474 521 HA SER 33 HA SER 33 -17.666 0.932 0.522 522 1HB SER 33 1HB SER 33 -19.526 1.388 -1.137 523 2HB SER 33 2HB SER 33 -18.307 0.262 -1.701 524 HG SER 33 HG SER 33 -19.705 -1.465 -1.434 525 H ALA 34 H ALA 34 -18.211 0.697 2.977 526 HA ALA 34 HA ALA 34 -20.468 2.213 3.531 527 1HB ALA 34 1HB ALA 34 -21.522 0.144 4.920 528 2HB ALA 34 2HB ALA 34 -22.039 0.567 3.270 529 3HB ALA 34 3HB ALA 34 -20.864 -0.745 3.525 530 H ALA 35 H ALA 35 -18.735 3.289 4.649 531 HA ALA 35 HA ALA 35 -18.529 2.626 7.340 532 1HB ALA 35 1HB ALA 35 -17.119 0.803 6.938 533 2HB ALA 35 2HB ALA 35 -16.331 1.588 5.549 534 3HB ALA 35 3HB ALA 35 -15.957 2.125 7.205 535 H ALA 36 H ALA 36 -18.620 4.712 8.015 536 HA ALA 36 HA ALA 36 -16.480 6.454 7.625 537 1HB ALA 36 1HB ALA 36 -18.867 6.842 5.791 538 2HB ALA 36 2HB ALA 36 -17.787 8.182 6.244 539 3HB ALA 36 3HB ALA 36 -17.141 6.777 5.362 540 H ALA 37 H ALA 37 -16.559 7.083 9.739 541 HA ALA 37 HA ALA 37 -18.650 8.798 10.561 542 1HB ALA 37 1HB ALA 37 -20.084 7.153 11.215 543 2HB ALA 37 2HB ALA 37 -18.806 5.915 11.263 544 3HB ALA 37 3HB ALA 37 -19.003 7.044 12.625 Start of MODEL 17 1 1H SER 1 H SER 1 6.107 -1.509 -13.701 2 HA SER 1 HA SER 1 3.903 -1.576 -13.827 3 1HB SER 1 1HB SER 1 4.862 -4.003 -13.781 4 2HB SER 1 2HB SER 1 4.142 -4.122 -12.188 5 HG SER 1 HG SER 1 2.875 -4.734 -14.306 6 H ILE 2 H ILE 2 3.715 0.328 -12.262 7 HA ILE 2 HA ILE 2 2.534 -0.528 -9.717 8 HB ILE 2 HB ILE 2 3.481 2.240 -10.423 9 1HG1 ILE 2 1HG1 ILE 2 5.105 0.016 -9.150 10 2HG1 ILE 2 2HG1 ILE 2 5.353 0.675 -10.755 11 1HG2 ILE 2 1HG2 ILE 2 2.845 2.792 -8.369 12 2HG2 ILE 2 2HG2 ILE 2 2.046 1.206 -8.255 13 3HG2 ILE 2 3HG2 ILE 2 3.711 1.408 -7.659 14 1HD1 ILE 2 1HD1 ILE 2 6.432 1.642 -8.309 15 2HD1 ILE 2 2HD1 ILE 2 6.573 2.388 -9.919 16 3HD1 ILE 2 3HD1 ILE 2 5.240 2.855 -8.835 17 H THR 3 H THR 3 0.741 -1.153 -11.448 18 HA THR 3 HA THR 3 -0.857 1.183 -12.153 19 HB THR 3 HB THR 3 -2.198 -0.633 -13.355 20 HG1 THR 3 1HG THR 3 -0.988 -2.730 -13.324 21 1HG2 THR 3 1HG2 THR 3 0.768 -0.215 -13.829 22 2HG2 THR 3 2HG2 THR 3 -0.091 -1.454 -14.774 23 3HG2 THR 3 3HG2 THR 3 -0.605 0.248 -14.863 24 H LYS 4 H LYS 4 -3.202 1.205 -11.679 25 HA LYS 4 HA LYS 4 -3.633 1.027 -8.949 26 1HB LYS 4 1HB LYS 4 -5.383 1.404 -11.359 27 2HB LYS 4 2HB LYS 4 -6.129 1.147 -9.795 28 1HG LYS 4 1HG LYS 4 -4.978 3.074 -8.838 29 2HG LYS 4 2HG LYS 4 -3.966 3.248 -10.259 30 1HD LYS 4 1HD LYS 4 -6.978 3.370 -10.565 31 2HD LYS 4 2HD LYS 4 -6.123 4.773 -9.954 32 1HE LYS 4 1HE LYS 4 -5.385 5.317 -12.033 33 2HE LYS 4 2HE LYS 4 -4.708 3.718 -12.271 34 1HZ LYS 4 1HZ LYS 4 -6.780 4.654 -13.613 35 2HZ LYS 4 2HZ LYS 4 -6.509 3.061 -13.382 36 3HZ LYS 4 3HZ LYS 4 -7.569 3.856 -12.427 37 H ASP 5 H ASP 5 -4.497 -1.240 -11.627 38 HA ASP 5 HA ASP 5 -6.005 -2.955 -10.130 39 1HB ASP 5 1HB ASP 5 -4.286 -3.224 -12.596 40 2HB ASP 5 2HB ASP 5 -4.910 -4.694 -11.874 41 H GLN 6 H GLN 6 -2.440 -2.773 -10.708 42 HA GLN 6 HA GLN 6 -1.754 -5.189 -9.601 43 1HB GLN 6 1HB GLN 6 -0.348 -2.583 -10.100 44 2HB GLN 6 2HB GLN 6 0.455 -3.731 -9.048 45 1HG GLN 6 1HG GLN 6 -0.690 -4.754 -11.647 46 2HG GLN 6 2HG GLN 6 0.780 -3.802 -11.715 47 1HE2 GLN 6 1HE2 GLN 6 1.753 -5.742 -12.520 48 2HE2 GLN 6 2HE2 GLN 6 2.325 -6.966 -11.437 49 H ILE 7 H ILE 7 -2.726 -2.141 -8.095 50 HA ILE 7 HA ILE 7 -1.588 -2.782 -5.547 51 HB ILE 7 HB ILE 7 -3.454 -0.630 -6.533 52 1HG1 ILE 7 1HG1 ILE 7 -0.974 -0.696 -7.190 53 2HG1 ILE 7 2HG1 ILE 7 -1.611 0.794 -6.522 54 1HG2 ILE 7 1HG2 ILE 7 -2.411 -1.128 -3.738 55 2HG2 ILE 7 2HG2 ILE 7 -3.027 0.446 -4.296 56 3HG2 ILE 7 3HG2 ILE 7 -4.101 -0.973 -4.272 57 1HD1 ILE 7 1HD1 ILE 7 0.631 0.024 -5.560 58 2HD1 ILE 7 2HD1 ILE 7 -0.635 0.365 -4.357 59 3HD1 ILE 7 3HD1 ILE 7 -0.254 -1.318 -4.794 60 H ILE 8 H ILE 8 -4.675 -3.245 -7.255 61 HA ILE 8 HA ILE 8 -6.282 -3.780 -5.056 62 HB ILE 8 HB ILE 8 -6.392 -4.913 -7.854 63 1HG1 ILE 8 1HG1 ILE 8 -6.381 -2.528 -7.986 64 2HG1 ILE 8 2HG1 ILE 8 -8.028 -3.071 -8.237 65 1HG2 ILE 8 1HG2 ILE 8 -8.043 -6.185 -7.072 66 2HG2 ILE 8 2HG2 ILE 8 -8.054 -5.348 -5.502 67 3HG2 ILE 8 3HG2 ILE 8 -8.977 -4.684 -6.871 68 1HD1 ILE 8 1HD1 ILE 8 -8.451 -2.658 -5.749 69 2HD1 ILE 8 2HD1 ILE 8 -6.849 -1.885 -5.689 70 3HD1 ILE 8 3HD1 ILE 8 -8.131 -1.198 -6.716 71 H GLU 9 H GLU 9 -4.167 -5.956 -7.029 72 HA GLU 9 HA GLU 9 -4.917 -8.219 -5.533 73 1HB GLU 9 1HB GLU 9 -2.792 -7.610 -7.597 74 2HB GLU 9 2HB GLU 9 -2.728 -9.127 -6.721 75 1HG GLU 9 1HG GLU 9 -5.445 -8.506 -7.710 76 2HG GLU 9 2HG GLU 9 -4.268 -8.610 -9.005 77 H ALA 10 H ALA 10 -2.989 -5.528 -4.787 78 HA ALA 10 HA ALA 10 -0.925 -6.923 -3.364 79 1HB ALA 10 1HB ALA 10 -0.052 -4.769 -2.958 80 2HB ALA 10 2HB ALA 10 -0.831 -4.617 -4.551 81 3HB ALA 10 3HB ALA 10 -1.648 -3.995 -3.097 82 H VAL 11 H VAL 11 -4.044 -5.290 -2.653 83 HA VAL 11 HA VAL 11 -3.692 -5.568 0.176 84 HB VAL 11 HB VAL 11 -5.971 -4.735 -1.617 85 1HG1 VAL 11 1HG1 VAL 11 -7.294 -5.426 0.097 86 2HG1 VAL 11 2HG1 VAL 11 -5.968 -5.389 1.284 87 3HG1 VAL 11 3HG1 VAL 11 -6.781 -3.878 0.811 88 1HG2 VAL 11 1HG2 VAL 11 -4.676 -2.979 0.437 89 2HG2 VAL 11 2HG2 VAL 11 -3.800 -3.316 -1.075 90 3HG2 VAL 11 3HG2 VAL 11 -5.410 -2.559 -1.129 91 H ALA 12 H ALA 12 -4.968 -7.474 -2.510 92 HA ALA 12 HA ALA 12 -6.456 -9.225 -0.772 93 1HB ALA 12 1HB ALA 12 -5.713 -9.484 -3.714 94 2HB ALA 12 2HB ALA 12 -6.962 -10.408 -2.846 95 3HB ALA 12 3HB ALA 12 -7.165 -8.658 -3.100 96 H ALA 13 H ALA 13 -3.215 -8.671 -1.196 97 HA ALA 13 HA ALA 13 -2.468 -11.488 -1.265 98 1HB ALA 13 1HB ALA 13 -1.277 -9.871 -2.715 99 2HB ALA 13 2HB ALA 13 -0.791 -8.945 -1.275 100 3HB ALA 13 3HB ALA 13 -0.185 -10.602 -1.514 101 H MET 14 H MET 14 -2.849 -8.709 0.892 102 HA MET 14 HA MET 14 -1.406 -10.144 2.962 103 1HB MET 14 1HB MET 14 -2.516 -7.283 2.841 104 2HB MET 14 2HB MET 14 -1.579 -7.924 4.177 105 1HG MET 14 1HG MET 14 0.364 -8.298 2.670 106 2HG MET 14 2HG MET 14 -0.571 -7.746 1.295 107 1HE MET 14 1HE MET 14 0.733 -6.079 0.476 108 2HE MET 14 2HE MET 14 1.184 -4.528 1.223 109 3HE MET 14 3HE MET 14 2.104 -6.002 1.608 110 H SER 15 H SER 15 -2.432 -9.816 5.283 111 HA SER 15 HA SER 15 -5.030 -10.960 5.078 112 1HB SER 15 1HB SER 15 -4.630 -10.647 7.766 113 2HB SER 15 2HB SER 15 -4.034 -12.010 6.841 114 HG SER 15 HG SER 15 -2.614 -9.673 7.727 115 H VAL 16 H VAL 16 -6.852 -10.137 6.581 116 HA VAL 16 HA VAL 16 -7.489 -7.530 5.842 117 HB VAL 16 HB VAL 16 -8.612 -9.267 8.050 118 1HG1 VAL 16 1HG1 VAL 16 -10.411 -7.401 6.655 119 2HG1 VAL 16 2HG1 VAL 16 -10.248 -7.760 8.391 120 3HG1 VAL 16 3HG1 VAL 16 -9.142 -6.602 7.614 121 1HG2 VAL 16 1HG2 VAL 16 -8.877 -10.569 6.148 122 2HG2 VAL 16 2HG2 VAL 16 -10.393 -9.638 6.169 123 3HG2 VAL 16 3HG2 VAL 16 -9.070 -9.160 5.078 124 H MET 17 H MET 17 -6.168 -8.911 8.907 125 HA MET 17 HA MET 17 -6.371 -6.641 10.420 126 1HB MET 17 1HB MET 17 -4.549 -9.066 10.366 127 2HB MET 17 2HB MET 17 -4.139 -7.766 11.467 128 1HG MET 17 1HG MET 17 -5.548 -8.947 12.873 129 2HG MET 17 2HG MET 17 -6.763 -7.958 12.089 130 1HE MET 17 1HE MET 17 -8.784 -9.219 12.148 131 2HE MET 17 2HE MET 17 -8.978 -10.964 11.859 132 3HE MET 17 3HE MET 17 -8.068 -10.393 13.278 133 H ASP 18 H ASP 18 -3.658 -7.739 8.281 134 HA ASP 18 HA ASP 18 -1.940 -5.693 8.973 135 1HB ASP 18 1HB ASP 18 -1.409 -7.825 7.682 136 2HB ASP 18 2HB ASP 18 -2.157 -7.101 6.272 137 H VAL 19 H VAL 19 -4.711 -5.924 6.757 138 HA VAL 19 HA VAL 19 -3.989 -3.626 5.211 139 HB VAL 19 HB VAL 19 -6.455 -5.354 5.423 140 1HG1 VAL 19 1HG1 VAL 19 -5.942 -2.992 3.586 141 2HG1 VAL 19 2HG1 VAL 19 -7.245 -4.184 3.363 142 3HG1 VAL 19 3HG1 VAL 19 -7.225 -3.147 4.810 143 1HG2 VAL 19 1HG2 VAL 19 -4.681 -5.066 3.008 144 2HG2 VAL 19 2HG2 VAL 19 -4.200 -6.128 4.353 145 3HG2 VAL 19 3HG2 VAL 19 -5.729 -6.421 3.491 146 H VAL 20 H VAL 20 -5.942 -4.368 8.102 147 HA VAL 20 HA VAL 20 -7.448 -2.037 8.182 148 HB VAL 20 HB VAL 20 -6.455 -4.025 10.192 149 1HG1 VAL 20 1HG1 VAL 20 -6.391 -1.989 11.467 150 2HG1 VAL 20 2HG1 VAL 20 -7.967 -1.471 10.823 151 3HG1 VAL 20 3HG1 VAL 20 -7.869 -2.871 11.917 152 1HG2 VAL 20 1HG2 VAL 20 -9.264 -3.208 9.381 153 2HG2 VAL 20 2HG2 VAL 20 -8.348 -4.545 8.644 154 3HG2 VAL 20 3HG2 VAL 20 -8.790 -4.612 10.367 155 H GLU 21 H GLU 21 -4.161 -2.788 9.501 156 HA GLU 21 HA GLU 21 -3.801 -0.333 10.713 157 1HB GLU 21 1HB GLU 21 -1.978 -2.518 9.719 158 2HB GLU 21 2HB GLU 21 -1.257 -0.997 10.206 159 1HG GLU 21 1HG GLU 21 -1.820 -1.274 12.442 160 2HG GLU 21 2HG GLU 21 -3.302 -2.135 12.079 161 H LEU 22 H LEU 22 -2.925 -1.505 7.399 162 HA LEU 22 HA LEU 22 -1.629 0.761 6.520 163 1HB LEU 22 1HB LEU 22 -1.778 -1.466 5.408 164 2HB LEU 22 2HB LEU 22 -3.409 -1.069 4.906 165 HG LEU 22 HG LEU 22 -1.235 0.846 4.175 166 1HD1 LEU 22 1HD1 LEU 22 -1.613 -1.851 2.850 167 2HD1 LEU 22 2HD1 LEU 22 -0.721 -0.486 2.136 168 3HD1 LEU 22 3HD1 LEU 22 -0.149 -1.231 3.649 169 1HD2 LEU 22 1HD2 LEU 22 -3.052 0.125 2.067 170 2HD2 LEU 22 2HD2 LEU 22 -3.964 0.486 3.552 171 3HD2 LEU 22 3HD2 LEU 22 -2.832 1.689 2.889 172 H ILE 23 H ILE 23 -5.116 -0.082 5.905 173 HA ILE 23 HA ILE 23 -5.803 2.327 4.797 174 HB ILE 23 HB ILE 23 -7.370 0.287 6.358 175 1HG1 ILE 23 1HG1 ILE 23 -6.533 -0.531 4.265 176 2HG1 ILE 23 2HG1 ILE 23 -8.256 -0.258 4.104 177 1HG2 ILE 23 1HG2 ILE 23 -9.423 1.372 5.507 178 2HG2 ILE 23 2HG2 ILE 23 -8.536 2.382 6.673 179 3HG2 ILE 23 3HG2 ILE 23 -8.437 2.739 4.932 180 1HD1 ILE 23 1HD1 ILE 23 -7.418 0.720 2.137 181 2HD1 ILE 23 2HD1 ILE 23 -7.548 2.127 3.218 182 3HD1 ILE 23 3HD1 ILE 23 -5.967 1.352 2.952 183 H SER 24 H SER 24 -5.392 1.419 8.224 184 HA SER 24 HA SER 24 -6.783 3.603 9.249 185 1HB SER 24 1HB SER 24 -4.867 1.552 10.296 186 2HB SER 24 2HB SER 24 -5.052 3.003 11.262 187 HG SER 24 HG SER 24 -6.997 2.356 11.889 188 H ALA 25 H ALA 25 -3.376 3.057 8.263 189 HA ALA 25 HA ALA 25 -2.300 5.387 9.373 190 1HB ALA 25 1HB ALA 25 -0.584 4.073 8.687 191 2HB ALA 25 2HB ALA 25 -1.559 3.303 7.412 192 3HB ALA 25 3HB ALA 25 -0.798 4.885 7.118 193 H MET 26 H MET 26 -3.328 4.710 5.946 194 HA MET 26 HA MET 26 -2.993 7.220 4.998 195 1HB MET 26 1HB MET 26 -5.092 5.079 4.372 196 2HB MET 26 2HB MET 26 -4.931 6.524 3.394 197 1HG MET 26 1HG MET 26 -2.563 5.951 2.891 198 2HG MET 26 2HG MET 26 -2.663 4.543 3.928 199 1HE MET 26 1HE MET 26 -4.831 5.176 -0.070 200 2HE MET 26 2HE MET 26 -5.569 5.853 1.402 201 3HE MET 26 3HE MET 26 -3.949 6.386 0.892 202 H GLU 27 H GLU 27 -5.781 5.878 6.833 203 HA GLU 27 HA GLU 27 -7.598 7.839 6.383 204 1HB GLU 27 1HB GLU 27 -7.059 5.889 8.576 205 2HB GLU 27 2HB GLU 27 -8.101 7.229 9.010 206 1HG GLU 27 1HG GLU 27 -9.540 6.728 7.001 207 2HG GLU 27 2HG GLU 27 -8.518 5.351 6.635 208 H GLU 28 H GLU 28 -5.091 7.717 9.012 209 HA GLU 28 HA GLU 28 -5.848 10.260 9.969 210 1HB GLU 28 1HB GLU 28 -4.876 8.587 11.469 211 2HB GLU 28 2HB GLU 28 -3.410 8.513 10.513 212 1HG GLU 28 1HG GLU 28 -2.611 10.549 11.307 213 2HG GLU 28 2HG GLU 28 -4.213 11.230 11.506 214 H LYS 29 H LYS 29 -3.109 8.974 7.984 215 HA LYS 29 HA LYS 29 -1.606 11.268 7.847 216 1HB LYS 29 1HB LYS 29 -0.807 9.110 7.086 217 2HB LYS 29 2HB LYS 29 -2.002 9.063 5.806 218 1HG LYS 29 1HG LYS 29 -0.603 10.207 4.440 219 2HG LYS 29 2HG LYS 29 -0.607 11.562 5.551 220 1HD LYS 29 1HD LYS 29 1.136 9.159 6.154 221 2HD LYS 29 2HD LYS 29 1.669 10.324 4.959 222 1HE LYS 29 1HE LYS 29 0.759 11.871 7.174 223 2HE LYS 29 2HE LYS 29 1.674 10.549 7.872 224 1HZ LYS 29 1HZ LYS 29 2.609 12.413 5.804 225 2HZ LYS 29 2HZ LYS 29 3.140 12.310 7.345 226 3HZ LYS 29 3HZ LYS 29 3.454 11.103 6.291 227 H PHE 30 H PHE 30 -3.855 10.142 5.220 228 HA PHE 30 HA PHE 30 -3.857 12.749 4.085 229 1HB PHE 30 1HB PHE 30 -5.489 10.172 3.694 230 2HB PHE 30 2HB PHE 30 -5.662 11.560 2.639 231 HD1 PHE 30 1HD PHE 30 -3.722 12.277 1.229 232 HD2 PHE 30 2HD PHE 30 -3.682 8.653 3.436 233 HE1 PHE 30 1HE PHE 30 -1.831 11.433 -0.190 234 HE2 PHE 30 2HE PHE 30 -1.791 7.809 2.017 235 HZ PHE 30 HZ PHE 30 -0.888 9.209 0.221 236 H GLY 31 H GLY 31 -5.320 11.604 6.853 237 1HA GLY 31 1HA GLY 31 -7.141 12.189 8.049 238 2HA GLY 31 2HA GLY 31 -6.858 13.781 7.374 239 H VAL 32 H VAL 32 -8.061 10.618 6.024 240 HA VAL 32 HA VAL 32 -10.343 12.131 4.954 241 HB VAL 32 HB VAL 32 -8.842 11.336 3.225 242 1HG1 VAL 32 1HG1 VAL 32 -7.746 9.499 4.350 243 2HG1 VAL 32 2HG1 VAL 32 -9.274 8.592 4.451 244 3HG1 VAL 32 3HG1 VAL 32 -8.516 8.887 2.867 245 1HG2 VAL 32 1HG2 VAL 32 -10.997 9.357 2.845 246 2HG2 VAL 32 2HG2 VAL 32 -11.559 10.986 3.293 247 3HG2 VAL 32 3HG2 VAL 32 -10.536 10.762 1.853 248 H SER 33 H SER 33 -10.574 11.433 7.575 249 HA SER 33 HA SER 33 -12.389 9.170 7.369 250 1HB SER 33 1HB SER 33 -11.662 8.272 9.486 251 2HB SER 33 2HB SER 33 -10.229 8.505 8.505 252 HG SER 33 HG SER 33 -9.632 9.424 10.411 253 H ALA 34 H ALA 34 -14.130 9.223 9.080 254 HA ALA 34 HA ALA 34 -14.577 11.980 10.004 255 1HB ALA 34 1HB ALA 34 -17.000 11.436 9.791 256 2HB ALA 34 2HB ALA 34 -16.140 11.334 8.236 257 3HB ALA 34 3HB ALA 34 -16.562 9.847 9.118 258 H ALA 35 H ALA 35 -13.042 10.892 11.756 259 HA ALA 35 HA ALA 35 -14.634 10.468 14.022 260 1HB ALA 35 1HB ALA 35 -14.461 8.167 12.503 261 2HB ALA 35 2HB ALA 35 -13.109 7.970 13.645 262 3HB ALA 35 3HB ALA 35 -14.762 8.219 14.257 263 H ALA 36 H ALA 36 -13.129 12.319 14.360 264 HA ALA 36 HA ALA 36 -10.453 12.326 14.245 265 1HB ALA 36 1HB ALA 36 -12.514 13.560 15.991 266 2HB ALA 36 2HB ALA 36 -10.855 13.589 16.635 267 3HB ALA 36 3HB ALA 36 -11.207 14.318 15.050 268 H ALA 37 H ALA 37 -9.103 10.641 14.699 269 HA ALA 37 HA ALA 37 -8.635 9.917 17.360 270 1HB ALA 37 1HB ALA 37 -9.692 7.521 15.923 271 2HB ALA 37 2HB ALA 37 -9.725 7.922 17.657 272 3HB ALA 37 3HB ALA 37 -10.892 8.679 16.546 273 1H SER 1 H SER 1 10.123 -4.198 -2.008 274 HA SER 1 HA SER 1 10.312 -4.309 0.867 275 1HB SER 1 1HB SER 1 11.514 -2.169 -0.857 276 2HB SER 1 2HB SER 1 10.669 -1.632 0.581 277 HG SER 1 HG SER 1 12.896 -3.473 0.438 278 H ILE 2 H ILE 2 8.024 -5.008 0.314 279 HA ILE 2 HA ILE 2 6.355 -2.750 -0.509 280 HB ILE 2 HB ILE 2 5.532 -5.633 -0.231 281 1HG1 ILE 2 1HG1 ILE 2 6.633 -4.269 -2.706 282 2HG1 ILE 2 2HG1 ILE 2 7.468 -5.484 -1.759 283 1HG2 ILE 2 1HG2 ILE 2 3.967 -3.461 -0.488 284 2HG2 ILE 2 2HG2 ILE 2 4.306 -3.788 -2.205 285 3HG2 ILE 2 3HG2 ILE 2 3.569 -5.049 -1.187 286 1HD1 ILE 2 1HD1 ILE 2 6.051 -7.214 -2.450 287 2HD1 ILE 2 2HD1 ILE 2 4.692 -6.110 -2.769 288 3HD1 ILE 2 3HD1 ILE 2 6.062 -6.184 -3.902 289 H THR 3 H THR 3 7.231 -2.050 1.833 290 HA THR 3 HA THR 3 5.787 -3.277 3.995 291 HB THR 3 HB THR 3 6.897 -1.373 5.261 292 HG1 THR 3 1HG THR 3 8.384 -0.131 3.768 293 1HG2 THR 3 1HG2 THR 3 9.058 -2.332 3.406 294 2HG2 THR 3 2HG2 THR 3 9.020 -2.324 5.186 295 3HG2 THR 3 3HG2 THR 3 8.156 -3.592 4.282 296 H LYS 4 H LYS 4 4.279 -2.108 5.409 297 HA LYS 4 HA LYS 4 2.113 -1.135 4.000 298 1HB LYS 4 1HB LYS 4 2.940 -1.072 6.893 299 2HB LYS 4 2HB LYS 4 1.496 -0.225 6.376 300 1HG LYS 4 1HG LYS 4 0.346 -2.174 5.898 301 2HG LYS 4 2HG LYS 4 1.776 -3.010 5.326 302 1HD LYS 4 1HD LYS 4 1.096 -4.079 7.393 303 2HD LYS 4 2HD LYS 4 2.572 -3.193 7.725 304 1HE LYS 4 1HE LYS 4 0.218 -1.485 8.126 305 2HE LYS 4 2HE LYS 4 0.100 -2.946 9.087 306 1HZ LYS 4 1HZ LYS 4 1.293 -1.242 10.249 307 2HZ LYS 4 2HZ LYS 4 2.305 -2.486 9.939 308 3HZ LYS 4 3HZ LYS 4 2.400 -1.116 9.055 309 H ASP 5 H ASP 5 4.751 0.636 5.731 310 HA ASP 5 HA ASP 5 3.713 3.141 5.424 311 1HB ASP 5 1HB ASP 5 6.681 2.528 5.153 312 2HB ASP 5 2HB ASP 5 5.943 3.947 5.869 313 H GLN 6 H GLN 6 5.820 1.144 3.257 314 HA GLN 6 HA GLN 6 6.495 3.057 1.445 315 1HB GLN 6 1HB GLN 6 6.251 0.082 1.430 316 2HB GLN 6 2HB GLN 6 6.291 0.838 -0.150 317 1HG GLN 6 1HG GLN 6 8.305 1.867 1.807 318 2HG GLN 6 2HG GLN 6 8.533 0.204 1.305 319 1HE2 GLN 6 1HE2 GLN 6 8.154 3.522 0.197 320 2HE2 GLN 6 2HE2 GLN 6 8.940 3.354 -1.337 321 H ILE 7 H ILE 7 3.401 1.425 1.953 322 HA ILE 7 HA ILE 7 2.393 2.109 -0.648 323 HB ILE 7 HB ILE 7 1.072 0.968 1.817 324 1HG1 ILE 7 1HG1 ILE 7 2.771 -0.515 0.919 325 2HG1 ILE 7 2HG1 ILE 7 1.172 -1.162 0.608 326 1HG2 ILE 7 1HG2 ILE 7 0.012 1.631 -0.913 327 2HG2 ILE 7 2HG2 ILE 7 -0.646 0.249 -0.004 328 3HG2 ILE 7 3HG2 ILE 7 -0.722 1.888 0.688 329 1HD1 ILE 7 1HD1 ILE 7 2.282 -1.437 -1.464 330 2HD1 ILE 7 2HD1 ILE 7 1.348 0.059 -1.703 331 3HD1 ILE 7 3HD1 ILE 7 3.089 0.145 -1.345 332 H ILE 8 H ILE 8 2.462 3.468 2.633 333 HA ILE 8 HA ILE 8 0.336 5.253 2.344 334 HB ILE 8 HB ILE 8 2.845 5.484 4.011 335 1HG1 ILE 8 1HG1 ILE 8 1.796 3.395 4.506 336 2HG1 ILE 8 2HG1 ILE 8 1.422 4.506 5.809 337 1HG2 ILE 8 1HG2 ILE 8 0.614 7.271 3.637 338 2HG2 ILE 8 2HG2 ILE 8 0.644 6.662 5.310 339 3HG2 ILE 8 3HG2 ILE 8 2.077 7.471 4.632 340 1HD1 ILE 8 1HD1 ILE 8 -0.641 3.401 5.283 341 2HD1 ILE 8 2HD1 ILE 8 -0.777 5.027 4.573 342 3HD1 ILE 8 3HD1 ILE 8 -0.401 3.631 3.534 343 H GLU 9 H GLU 9 3.878 5.600 1.669 344 HA GLU 9 HA GLU 9 3.528 8.273 0.824 345 1HB GLU 9 1HB GLU 9 5.909 8.177 0.260 346 2HB GLU 9 2HB GLU 9 5.645 7.425 1.820 347 1HG GLU 9 1HG GLU 9 6.689 5.573 1.031 348 2HG GLU 9 2HG GLU 9 5.316 5.311 -0.026 349 H ALA 10 H ALA 10 2.929 5.208 -0.608 350 HA ALA 10 HA ALA 10 3.657 5.915 -3.283 351 1HB ALA 10 1HB ALA 10 2.607 3.754 -3.825 352 2HB ALA 10 2HB ALA 10 3.702 3.591 -2.432 353 3HB ALA 10 3HB ALA 10 1.941 3.654 -2.178 354 H VAL 11 H VAL 11 0.677 5.858 -1.265 355 HA VAL 11 HA VAL 11 -1.039 6.522 -3.422 356 HB VAL 11 HB VAL 11 -1.280 6.595 -0.416 357 1HG1 VAL 11 1HG1 VAL 11 -2.942 8.090 -0.729 358 2HG1 VAL 11 2HG1 VAL 11 -3.061 7.750 -2.472 359 3HG1 VAL 11 3HG1 VAL 11 -3.863 6.678 -1.299 360 1HG2 VAL 11 1HG2 VAL 11 -1.232 4.446 -2.032 361 2HG2 VAL 11 2HG2 VAL 11 -2.221 4.527 -0.555 362 3HG2 VAL 11 3HG2 VAL 11 -2.963 4.846 -2.141 363 H ALA 12 H ALA 12 1.051 8.317 -1.189 364 HA ALA 12 HA ALA 12 -0.202 10.835 -1.820 365 1HB ALA 12 1HB ALA 12 2.463 10.818 -0.540 366 2HB ALA 12 2HB ALA 12 0.944 11.579 -0.010 367 3HB ALA 12 3HB ALA 12 1.236 9.853 0.314 368 H ALA 13 H ALA 13 1.552 8.737 -3.635 369 HA ALA 13 HA ALA 13 3.268 10.799 -4.804 370 1HB ALA 13 1HB ALA 13 4.712 9.089 -4.978 371 2HB ALA 13 2HB ALA 13 3.494 7.970 -4.320 372 3HB ALA 13 3HB ALA 13 3.579 8.262 -6.074 373 H MET 14 H MET 14 0.319 8.918 -5.258 374 HA MET 14 HA MET 14 0.283 9.557 -8.072 375 1HB MET 14 1HB MET 14 -1.685 8.014 -6.291 376 2HB MET 14 2HB MET 14 -1.795 8.116 -8.037 377 1HG MET 14 1HG MET 14 -0.222 6.488 -8.328 378 2HG MET 14 2HG MET 14 0.887 7.252 -7.207 379 1HE MET 14 1HE MET 14 -0.151 3.660 -7.285 380 2HE MET 14 2HE MET 14 -1.831 3.784 -6.710 381 3HE MET 14 3HE MET 14 -1.307 4.715 -8.133 382 H SER 15 H SER 15 -2.008 10.283 -8.945 383 HA SER 15 HA SER 15 -2.524 12.743 -7.623 384 1HB SER 15 1HB SER 15 -4.405 12.632 -9.604 385 2HB SER 15 2HB SER 15 -2.756 13.169 -9.852 386 HG SER 15 HG SER 15 -2.248 11.322 -10.891 387 H VAL 16 H VAL 16 -4.828 13.470 -7.121 388 HA VAL 16 HA VAL 16 -6.002 11.779 -5.284 389 HB VAL 16 HB VAL 16 -7.197 14.089 -6.830 390 1HG1 VAL 16 1HG1 VAL 16 -8.708 12.430 -5.448 391 2HG1 VAL 16 2HG1 VAL 16 -8.043 13.317 -4.055 392 3HG1 VAL 16 3HG1 VAL 16 -8.941 14.190 -5.320 393 1HG2 VAL 16 1HG2 VAL 16 -5.355 15.040 -5.806 394 2HG2 VAL 16 2HG2 VAL 16 -6.594 15.236 -4.542 395 3HG2 VAL 16 3HG2 VAL 16 -5.404 13.917 -4.425 396 H MET 17 H MET 17 -6.770 12.355 -8.764 397 HA MET 17 HA MET 17 -9.098 10.918 -8.846 398 1HB MET 17 1HB MET 17 -6.916 11.677 -10.795 399 2HB MET 17 2HB MET 17 -8.065 10.470 -11.338 400 1HG MET 17 1HG MET 17 -9.278 12.324 -11.980 401 2HG MET 17 2HG MET 17 -9.824 12.278 -10.315 402 1HE MET 17 1HE MET 17 -9.710 15.830 -10.385 403 2HE MET 17 2HE MET 17 -10.500 14.267 -10.071 404 3HE MET 17 3HE MET 17 -9.414 14.975 -8.852 405 H ASP 18 H ASP 18 -5.685 9.802 -9.317 406 HA ASP 18 HA ASP 18 -6.319 7.232 -10.063 407 1HB ASP 18 1HB ASP 18 -4.054 8.319 -10.211 408 2HB ASP 18 2HB ASP 18 -3.904 8.214 -8.469 409 H VAL 19 H VAL 19 -6.275 8.895 -6.934 410 HA VAL 19 HA VAL 19 -6.105 6.480 -5.387 411 HB VAL 19 HB VAL 19 -6.575 9.391 -4.742 412 1HG1 VAL 19 1HG1 VAL 19 -6.419 7.024 -2.847 413 2HG1 VAL 19 2HG1 VAL 19 -6.277 8.727 -2.349 414 3HG1 VAL 19 3HG1 VAL 19 -7.790 8.135 -3.077 415 1HG2 VAL 19 1HG2 VAL 19 -4.328 9.153 -3.656 416 2HG2 VAL 19 2HG2 VAL 19 -4.221 7.516 -4.348 417 3HG2 VAL 19 3HG2 VAL 19 -4.311 8.932 -5.423 418 H VAL 20 H VAL 20 -8.594 8.591 -6.781 419 HA VAL 20 HA VAL 20 -10.714 7.599 -5.180 420 HB VAL 20 HB VAL 20 -10.574 9.056 -7.820 421 1HG1 VAL 20 1HG1 VAL 20 -13.020 8.324 -6.178 422 2HG1 VAL 20 2HG1 VAL 20 -13.007 9.496 -7.518 423 3HG1 VAL 20 3HG1 VAL 20 -12.634 7.783 -7.829 424 1HG2 VAL 20 1HG2 VAL 20 -11.827 10.638 -5.889 425 2HG2 VAL 20 2HG2 VAL 20 -10.491 9.847 -5.018 426 3HG2 VAL 20 3HG2 VAL 20 -10.157 10.800 -6.484 427 H GLU 21 H GLU 21 -9.441 6.838 -8.485 428 HA GLU 21 HA GLU 21 -11.308 4.915 -9.086 429 1HB GLU 21 1HB GLU 21 -8.486 5.496 -9.967 430 2HB GLU 21 2HB GLU 21 -9.210 3.981 -10.470 431 1HG GLU 21 1HG GLU 21 -11.008 6.322 -10.799 432 2HG GLU 21 2HG GLU 21 -9.545 6.422 -11.758 433 H LEU 22 H LEU 22 -8.112 4.636 -7.407 434 HA LEU 22 HA LEU 22 -8.105 1.880 -7.129 435 1HB LEU 22 1HB LEU 22 -6.269 3.593 -6.709 436 2HB LEU 22 2HB LEU 22 -6.992 3.842 -5.132 437 HG LEU 22 HG LEU 22 -5.184 2.339 -4.841 438 1HD1 LEU 22 1HD1 LEU 22 -7.370 1.820 -3.676 439 2HD1 LEU 22 2HD1 LEU 22 -7.610 0.537 -4.886 440 3HD1 LEU 22 3HD1 LEU 22 -6.206 0.479 -3.794 441 1HD2 LEU 22 1HD2 LEU 22 -5.434 0.025 -6.153 442 2HD2 LEU 22 2HD2 LEU 22 -6.192 1.101 -7.351 443 3HD2 LEU 22 3HD2 LEU 22 -4.527 1.411 -6.805 444 H ILE 23 H ILE 23 -9.036 4.315 -4.589 445 HA ILE 23 HA ILE 23 -9.985 2.531 -2.768 446 HB ILE 23 HB ILE 23 -10.685 5.374 -3.416 447 1HG1 ILE 23 1HG1 ILE 23 -9.345 4.167 -0.983 448 2HG1 ILE 23 2HG1 ILE 23 -8.466 4.697 -2.403 449 1HG2 ILE 23 1HG2 ILE 23 -12.058 3.554 -1.469 450 2HG2 ILE 23 2HG2 ILE 23 -11.810 5.267 -1.054 451 3HG2 ILE 23 3HG2 ILE 23 -12.730 4.829 -2.514 452 1HD1 ILE 23 1HD1 ILE 23 -10.021 6.349 -0.408 453 2HD1 ILE 23 2HD1 ILE 23 -8.391 6.621 -1.069 454 3HD1 ILE 23 3HD1 ILE 23 -9.824 6.952 -2.071 455 H SER 24 H SER 24 -11.544 3.738 -5.744 456 HA SER 24 HA SER 24 -14.104 2.850 -5.030 457 1HB SER 24 1HB SER 24 -12.760 3.782 -7.562 458 2HB SER 24 2HB SER 24 -14.314 2.983 -7.700 459 HG SER 24 HG SER 24 -14.030 5.507 -7.258 460 H ALA 25 H ALA 25 -11.332 1.438 -6.838 461 HA ALA 25 HA ALA 25 -12.664 -0.760 -7.907 462 1HB ALA 25 1HB ALA 25 -9.822 -0.030 -7.246 463 2HB ALA 25 2HB ALA 25 -10.194 -1.707 -7.712 464 3HB ALA 25 3HB ALA 25 -10.569 -0.370 -8.825 465 H MET 26 H MET 26 -10.529 -0.623 -4.960 466 HA MET 26 HA MET 26 -10.963 -3.161 -4.143 467 1HB MET 26 1HB MET 26 -10.543 -0.569 -2.568 468 2HB MET 26 2HB MET 26 -10.514 -2.135 -1.783 469 1HG MET 26 1HG MET 26 -8.640 -2.870 -3.222 470 2HG MET 26 2HG MET 26 -8.713 -1.374 -4.133 471 1HE MET 26 1HE MET 26 -7.398 -1.854 0.244 472 2HE MET 26 2HE MET 26 -9.138 -1.737 -0.116 473 3HE MET 26 3HE MET 26 -8.176 -3.074 -0.793 474 H GLU 27 H GLU 27 -12.993 -0.249 -3.530 475 HA GLU 27 HA GLU 27 -14.605 -1.230 -1.589 476 1HB GLU 27 1HB GLU 27 -14.875 0.806 -3.756 477 2HB GLU 27 2HB GLU 27 -16.381 0.264 -3.043 478 1HG GLU 27 1HG GLU 27 -15.104 0.647 -0.740 479 2HG GLU 27 2HG GLU 27 -14.049 1.660 -1.706 480 H GLU 28 H GLU 28 -14.856 -1.692 -5.163 481 HA GLU 28 HA GLU 28 -17.277 -3.168 -4.849 482 1HB GLU 28 1HB GLU 28 -16.561 -1.641 -6.840 483 2HB GLU 28 2HB GLU 28 -15.603 -3.006 -7.378 484 1HG GLU 28 1HG GLU 28 -18.103 -4.151 -6.770 485 2HG GLU 28 2HG GLU 28 -18.521 -2.611 -7.494 486 H LYS 29 H LYS 29 -13.839 -3.844 -5.773 487 HA LYS 29 HA LYS 29 -14.085 -6.505 -6.366 488 1HB LYS 29 1HB LYS 29 -12.063 -5.261 -6.793 489 2HB LYS 29 2HB LYS 29 -11.804 -4.979 -5.084 490 1HG LYS 29 1HG LYS 29 -10.555 -6.877 -5.072 491 2HG LYS 29 2HG LYS 29 -12.057 -7.766 -5.222 492 1HD LYS 29 1HD LYS 29 -10.999 -6.669 -7.787 493 2HD LYS 29 2HD LYS 29 -9.986 -7.888 -7.040 494 1HE LYS 29 1HE LYS 29 -11.992 -9.411 -6.872 495 2HE LYS 29 2HE LYS 29 -12.955 -8.200 -7.694 496 1HZ LYS 29 1HZ LYS 29 -11.504 -10.113 -8.894 497 2HZ LYS 29 2HZ LYS 29 -12.079 -8.772 -9.627 498 3HZ LYS 29 3HZ LYS 29 -10.544 -8.804 -9.069 499 H PHE 30 H PHE 30 -13.024 -5.187 -3.144 500 HA PHE 30 HA PHE 30 -13.447 -7.723 -1.933 501 1HB PHE 30 1HB PHE 30 -12.895 -4.852 -0.992 502 2HB PHE 30 2HB PHE 30 -13.024 -6.174 0.151 503 HD1 PHE 30 1HD PHE 30 -11.291 -7.877 0.286 504 HD2 PHE 30 2HD PHE 30 -10.980 -4.675 -2.481 505 HE1 PHE 30 1HE PHE 30 -8.861 -8.405 -0.051 506 HE2 PHE 30 2HE PHE 30 -8.549 -5.203 -2.819 507 HZ PHE 30 HZ PHE 30 -7.519 -7.062 -1.600 508 H GLY 31 H GLY 31 -15.596 -5.313 -2.945 509 1HA GLY 31 1HA GLY 31 -17.691 -4.707 -2.328 510 2HA GLY 31 2HA GLY 31 -17.887 -6.435 -2.114 511 H VAL 32 H VAL 32 -15.928 -4.035 -0.221 512 HA VAL 32 HA VAL 32 -17.356 -4.977 2.160 513 HB VAL 32 HB VAL 32 -14.956 -5.395 2.108 514 1HG1 VAL 32 1HG1 VAL 32 -14.872 -2.612 1.180 515 2HG1 VAL 32 2HG1 VAL 32 -13.705 -2.958 2.478 516 3HG1 VAL 32 3HG1 VAL 32 -13.686 -3.924 0.983 517 1HG2 VAL 32 1HG2 VAL 32 -15.043 -3.211 4.107 518 2HG2 VAL 32 2HG2 VAL 32 -16.386 -4.377 4.187 519 3HG2 VAL 32 3HG2 VAL 32 -14.704 -4.946 4.311 520 H SER 33 H SER 33 -18.998 -3.369 0.872 521 HA SER 33 HA SER 33 -18.942 -1.028 2.506 522 1HB SER 33 1HB SER 33 -18.932 -0.790 -0.536 523 2HB SER 33 2HB SER 33 -19.280 0.532 0.560 524 HG SER 33 HG SER 33 -17.155 0.850 0.445 525 H ALA 34 H ALA 34 -21.084 0.095 2.479 526 HA ALA 34 HA ALA 34 -23.295 0.074 2.522 527 1HB ALA 34 1HB ALA 34 -22.868 -1.351 -0.130 528 2HB ALA 34 2HB ALA 34 -24.457 -0.796 0.448 529 3HB ALA 34 3HB ALA 34 -23.163 0.384 0.135 530 H ALA 35 H ALA 35 -23.011 -1.327 4.468 531 HA ALA 35 HA ALA 35 -24.728 -3.541 4.335 532 1HB ALA 35 1HB ALA 35 -22.847 -5.200 5.085 533 2HB ALA 35 2HB ALA 35 -23.065 -4.868 3.350 534 3HB ALA 35 3HB ALA 35 -21.754 -4.070 4.251 535 H ALA 36 H ALA 36 -25.537 -1.987 5.969 536 HA ALA 36 HA ALA 36 -24.915 -2.811 8.554 537 1HB ALA 36 1HB ALA 36 -23.006 -1.631 8.894 538 2HB ALA 36 2HB ALA 36 -23.291 -0.581 7.486 539 3HB ALA 36 3HB ALA 36 -24.093 -0.229 9.035 540 H ALA 37 H ALA 37 -26.063 -1.274 10.204 541 HA ALA 37 HA ALA 37 -28.530 -0.417 8.896 542 1HB ALA 37 1HB ALA 37 -29.145 -1.871 10.576 543 2HB ALA 37 2HB ALA 37 -27.744 -1.459 11.595 544 3HB ALA 37 3HB ALA 37 -29.135 -0.351 11.503 Start of MODEL 18 1 1H SER 1 H SER 1 5.125 -1.849 -15.212 2 HA SER 1 HA SER 1 2.920 -1.707 -15.134 3 1HB SER 1 1HB SER 1 3.612 -4.344 -13.808 4 2HB SER 1 2HB SER 1 1.939 -3.918 -14.104 5 HG SER 1 HG SER 1 2.339 -3.813 -16.345 6 H ILE 2 H ILE 2 3.109 0.214 -13.556 7 HA ILE 2 HA ILE 2 2.243 -0.481 -10.861 8 HB ILE 2 HB ILE 2 3.001 2.221 -11.966 9 1HG1 ILE 2 1HG1 ILE 2 4.778 0.358 -12.177 10 2HG1 ILE 2 2HG1 ILE 2 5.232 1.880 -11.436 11 1HG2 ILE 2 1HG2 ILE 2 2.666 1.117 -9.171 12 2HG2 ILE 2 2HG2 ILE 2 3.501 2.647 -9.529 13 3HG2 ILE 2 3HG2 ILE 2 1.781 2.454 -9.945 14 1HD1 ILE 2 1HD1 ILE 2 6.019 -0.160 -10.163 15 2HD1 ILE 2 2HD1 ILE 2 5.015 0.945 -9.194 16 3HD1 ILE 2 3HD1 ILE 2 4.313 -0.556 -9.844 17 H THR 3 H THR 3 0.241 -1.277 -12.335 18 HA THR 3 HA THR 3 -1.555 0.950 -12.874 19 HB THR 3 HB THR 3 -2.970 -0.933 -13.805 20 HG1 THR 3 1HG THR 3 -1.987 -3.046 -13.632 21 1HG2 THR 3 1HG2 THR 3 -1.122 0.117 -15.236 22 2HG2 THR 3 2HG2 THR 3 -0.051 -1.195 -14.688 23 3HG2 THR 3 3HG2 THR 3 -1.500 -1.572 -15.651 24 H LYS 4 H LYS 4 -3.798 0.919 -12.045 25 HA LYS 4 HA LYS 4 -3.737 0.849 -9.252 26 1HB LYS 4 1HB LYS 4 -5.803 1.320 -11.361 27 2HB LYS 4 2HB LYS 4 -6.358 1.001 -9.730 28 1HG LYS 4 1HG LYS 4 -5.262 2.910 -8.838 29 2HG LYS 4 2HG LYS 4 -4.143 3.020 -10.182 30 1HD LYS 4 1HD LYS 4 -7.137 3.415 -10.570 31 2HD LYS 4 2HD LYS 4 -6.094 4.740 -10.094 32 1HE LYS 4 1HE LYS 4 -4.628 3.847 -12.184 33 2HE LYS 4 2HE LYS 4 -6.187 3.238 -12.704 34 1HZ LYS 4 1HZ LYS 4 -7.024 5.537 -12.268 35 2HZ LYS 4 2HZ LYS 4 -5.471 6.018 -12.120 36 3HZ LYS 4 3HZ LYS 4 -6.000 5.393 -13.532 37 H ASP 5 H ASP 5 -5.035 -1.438 -11.721 38 HA ASP 5 HA ASP 5 -6.388 -3.066 -9.996 39 1HB ASP 5 1HB ASP 5 -4.996 -3.475 -12.649 40 2HB ASP 5 2HB ASP 5 -5.621 -4.883 -11.814 41 H GLN 6 H GLN 6 -2.924 -3.008 -11.027 42 HA GLN 6 HA GLN 6 -2.182 -5.435 -9.975 43 1HB GLN 6 1HB GLN 6 -0.847 -2.979 -10.927 44 2HB GLN 6 2HB GLN 6 0.082 -3.822 -9.703 45 1HG GLN 6 1HG GLN 6 0.522 -4.555 -12.117 46 2HG GLN 6 2HG GLN 6 0.160 -5.849 -10.991 47 1HE2 GLN 6 1HE2 GLN 6 -0.657 -7.274 -12.423 48 2HE2 GLN 6 2HE2 GLN 6 -2.141 -7.069 -13.292 49 H ILE 7 H ILE 7 -2.890 -2.355 -8.413 50 HA ILE 7 HA ILE 7 -1.447 -2.989 -6.017 51 HB ILE 7 HB ILE 7 -3.430 -0.812 -6.685 52 1HG1 ILE 7 1HG1 ILE 7 -1.412 -0.683 -8.040 53 2HG1 ILE 7 2HG1 ILE 7 -1.461 0.626 -6.875 54 1HG2 ILE 7 1HG2 ILE 7 -1.980 -1.506 -4.175 55 2HG2 ILE 7 2HG2 ILE 7 -2.099 0.213 -4.621 56 3HG2 ILE 7 3HG2 ILE 7 -3.577 -0.758 -4.415 57 1HD1 ILE 7 1HD1 ILE 7 -0.064 -1.014 -5.344 58 2HD1 ILE 7 2HD1 ILE 7 0.291 -1.841 -6.881 59 3HD1 ILE 7 3HD1 ILE 7 0.752 -0.136 -6.660 60 H ILE 8 H ILE 8 -4.708 -3.431 -7.345 61 HA ILE 8 HA ILE 8 -6.052 -3.904 -4.953 62 HB ILE 8 HB ILE 8 -6.511 -4.998 -7.730 63 1HG1 ILE 8 1HG1 ILE 8 -7.579 -2.546 -6.304 64 2HG1 ILE 8 2HG1 ILE 8 -6.522 -2.577 -7.701 65 1HG2 ILE 8 1HG2 ILE 8 -7.613 -6.092 -5.556 66 2HG2 ILE 8 2HG2 ILE 8 -8.735 -4.727 -5.771 67 3HG2 ILE 8 3HG2 ILE 8 -8.494 -5.897 -7.090 68 1HD1 ILE 8 1HD1 ILE 8 -8.510 -2.347 -8.838 69 2HD1 ILE 8 2HD1 ILE 8 -8.553 -4.118 -8.664 70 3HD1 ILE 8 3HD1 ILE 8 -9.461 -3.090 -7.530 71 H GLU 9 H GLU 9 -4.183 -6.099 -7.133 72 HA GLU 9 HA GLU 9 -4.826 -8.390 -5.673 73 1HB GLU 9 1HB GLU 9 -2.516 -7.798 -7.573 74 2HB GLU 9 2HB GLU 9 -2.884 -9.396 -6.957 75 1HG GLU 9 1HG GLU 9 -5.303 -8.971 -7.881 76 2HG GLU 9 2HG GLU 9 -4.578 -7.657 -8.786 77 H ALA 10 H ALA 10 -2.631 -5.751 -5.101 78 HA ALA 10 HA ALA 10 -0.764 -7.249 -3.530 79 1HB ALA 10 1HB ALA 10 -1.216 -4.423 -4.375 80 2HB ALA 10 2HB ALA 10 -0.331 -4.663 -2.850 81 3HB ALA 10 3HB ALA 10 0.280 -5.387 -4.357 82 H VAL 11 H VAL 11 -3.775 -5.394 -3.024 83 HA VAL 11 HA VAL 11 -3.468 -5.423 -0.168 84 HB VAL 11 HB VAL 11 -5.637 -4.568 -2.080 85 1HG1 VAL 11 1HG1 VAL 11 -6.801 -3.612 -0.080 86 2HG1 VAL 11 2HG1 VAL 11 -6.800 -5.391 -0.136 87 3HG1 VAL 11 3HG1 VAL 11 -5.685 -4.535 0.955 88 1HG2 VAL 11 1HG2 VAL 11 -5.095 -2.315 -1.095 89 2HG2 VAL 11 2HG2 VAL 11 -3.724 -3.080 -0.255 90 3HG2 VAL 11 3HG2 VAL 11 -3.776 -3.055 -2.034 91 H ALA 12 H ALA 12 -4.606 -7.566 -2.665 92 HA ALA 12 HA ALA 12 -6.314 -9.022 -0.819 93 1HB ALA 12 1HB ALA 12 -6.897 -8.547 -3.253 94 2HB ALA 12 2HB ALA 12 -5.600 -9.682 -3.699 95 3HB ALA 12 3HB ALA 12 -7.000 -10.254 -2.759 96 H ALA 13 H ALA 13 -3.105 -8.673 -1.009 97 HA ALA 13 HA ALA 13 -2.512 -11.543 -0.946 98 1HB ALA 13 1HB ALA 13 -1.261 -9.998 -2.518 99 2HB ALA 13 2HB ALA 13 -0.588 -9.192 -1.082 100 3HB ALA 13 3HB ALA 13 -0.231 -10.908 -1.388 101 H MET 14 H MET 14 -2.837 -8.613 0.968 102 HA MET 14 HA MET 14 -1.336 -9.801 3.134 103 1HB MET 14 1HB MET 14 -2.747 -7.087 2.861 104 2HB MET 14 2HB MET 14 -1.719 -7.543 4.205 105 1HG MET 14 1HG MET 14 0.253 -7.485 2.901 106 2HG MET 14 2HG MET 14 -0.607 -7.745 1.397 107 1HE MET 14 1HE MET 14 1.609 -5.036 2.223 108 2HE MET 14 2HE MET 14 1.197 -6.047 0.818 109 3HE MET 14 3HE MET 14 0.878 -4.296 0.779 110 H SER 15 H SER 15 -2.387 -9.462 5.432 111 HA SER 15 HA SER 15 -4.867 -10.853 5.308 112 1HB SER 15 1HB SER 15 -4.492 -10.362 7.973 113 2HB SER 15 2HB SER 15 -3.770 -11.710 7.116 114 HG SER 15 HG SER 15 -1.849 -10.873 7.511 115 H VAL 16 H VAL 16 -6.747 -10.124 6.796 116 HA VAL 16 HA VAL 16 -7.629 -7.622 5.946 117 HB VAL 16 HB VAL 16 -8.549 -9.405 8.209 118 1HG1 VAL 16 1HG1 VAL 16 -9.785 -6.950 6.954 119 2HG1 VAL 16 2HG1 VAL 16 -10.776 -8.195 7.752 120 3HG1 VAL 16 3HG1 VAL 16 -9.531 -7.320 8.676 121 1HG2 VAL 16 1HG2 VAL 16 -8.733 -9.606 5.322 122 2HG2 VAL 16 2HG2 VAL 16 -9.219 -10.772 6.576 123 3HG2 VAL 16 3HG2 VAL 16 -10.352 -9.502 6.055 124 H MET 17 H MET 17 -6.125 -8.735 9.032 125 HA MET 17 HA MET 17 -6.456 -6.359 10.395 126 1HB MET 17 1HB MET 17 -4.627 -8.759 10.536 127 2HB MET 17 2HB MET 17 -4.141 -7.356 11.467 128 1HG MET 17 1HG MET 17 -6.246 -7.351 12.708 129 2HG MET 17 2HG MET 17 -6.939 -8.565 11.651 130 1HE MET 17 1HE MET 17 -5.864 -11.795 12.699 131 2HE MET 17 2HE MET 17 -6.404 -10.719 11.388 132 3HE MET 17 3HE MET 17 -4.682 -11.146 11.537 133 H ASP 18 H ASP 18 -3.750 -7.527 8.294 134 HA ASP 18 HA ASP 18 -2.045 -5.434 8.789 135 1HB ASP 18 1HB ASP 18 -1.921 -7.707 7.312 136 2HB ASP 18 2HB ASP 18 -2.202 -6.573 6.007 137 H VAL 19 H VAL 19 -4.944 -5.754 6.758 138 HA VAL 19 HA VAL 19 -4.382 -3.458 5.147 139 HB VAL 19 HB VAL 19 -6.866 -5.128 5.577 140 1HG1 VAL 19 1HG1 VAL 19 -7.454 -2.868 4.812 141 2HG1 VAL 19 2HG1 VAL 19 -6.311 -3.024 3.457 142 3HG1 VAL 19 3HG1 VAL 19 -7.743 -4.078 3.540 143 1HG2 VAL 19 1HG2 VAL 19 -6.006 -6.593 4.130 144 2HG2 VAL 19 2HG2 VAL 19 -5.644 -5.304 2.958 145 3HG2 VAL 19 3HG2 VAL 19 -4.465 -5.709 4.228 146 H VAL 20 H VAL 20 -6.220 -4.227 8.129 147 HA VAL 20 HA VAL 20 -7.597 -1.820 8.339 148 HB VAL 20 HB VAL 20 -6.606 -3.868 10.308 149 1HG1 VAL 20 1HG1 VAL 20 -8.085 -2.743 12.002 150 2HG1 VAL 20 2HG1 VAL 20 -6.612 -1.835 11.585 151 3HG1 VAL 20 3HG1 VAL 20 -8.183 -1.346 10.904 152 1HG2 VAL 20 1HG2 VAL 20 -8.625 -4.847 10.068 153 2HG2 VAL 20 2HG2 VAL 20 -9.488 -3.292 10.003 154 3HG2 VAL 20 3HG2 VAL 20 -8.690 -3.929 8.545 155 H GLU 21 H GLU 21 -4.365 -2.818 9.656 156 HA GLU 21 HA GLU 21 -3.793 -0.452 10.898 157 1HB GLU 21 1HB GLU 21 -2.108 -2.640 9.671 158 2HB GLU 21 2HB GLU 21 -1.318 -1.201 10.283 159 1HG GLU 21 1HG GLU 21 -3.350 -2.662 12.000 160 2HG GLU 21 2HG GLU 21 -1.704 -3.253 11.897 161 H LEU 22 H LEU 22 -3.268 -1.453 7.469 162 HA LEU 22 HA LEU 22 -1.808 0.758 6.663 163 1HB LEU 22 1HB LEU 22 -2.040 -1.287 5.374 164 2HB LEU 22 2HB LEU 22 -3.748 -0.979 5.132 165 HG LEU 22 HG LEU 22 -2.092 -0.459 3.222 166 1HD1 LEU 22 1HD1 LEU 22 -3.528 1.200 2.338 167 2HD1 LEU 22 2HD1 LEU 22 -4.537 0.179 3.390 168 3HD1 LEU 22 3HD1 LEU 22 -3.990 1.775 3.958 169 1HD2 LEU 22 1HD2 LEU 22 -1.027 1.691 3.220 170 2HD2 LEU 22 2HD2 LEU 22 -1.719 2.094 4.809 171 3HD2 LEU 22 3HD2 LEU 22 -0.501 0.803 4.670 172 H ILE 23 H ILE 23 -5.349 0.214 6.035 173 HA ILE 23 HA ILE 23 -5.924 2.711 5.153 174 HB ILE 23 HB ILE 23 -7.551 0.722 6.718 175 1HG1 ILE 23 1HG1 ILE 23 -6.820 0.029 4.491 176 2HG1 ILE 23 2HG1 ILE 23 -8.558 0.247 4.554 177 1HG2 ILE 23 1HG2 ILE 23 -8.721 2.654 7.251 178 2HG2 ILE 23 2HG2 ILE 23 -8.351 3.435 5.696 179 3HG2 ILE 23 3HG2 ILE 23 -9.526 2.100 5.764 180 1HD1 ILE 23 1HD1 ILE 23 -6.478 2.014 3.240 181 2HD1 ILE 23 2HD1 ILE 23 -7.973 1.340 2.548 182 3HD1 ILE 23 3HD1 ILE 23 -8.058 2.687 3.708 183 H SER 24 H SER 24 -5.681 1.577 8.566 184 HA SER 24 HA SER 24 -6.670 3.877 9.711 185 1HB SER 24 1HB SER 24 -4.861 1.644 10.625 186 2HB SER 24 2HB SER 24 -5.032 3.048 11.661 187 HG SER 24 HG SER 24 -7.397 2.717 11.531 188 H ALA 25 H ALA 25 -3.355 2.957 8.646 189 HA ALA 25 HA ALA 25 -2.000 5.105 9.795 190 1HB ALA 25 1HB ALA 25 -1.251 3.821 7.159 191 2HB ALA 25 2HB ALA 25 -0.188 4.394 8.467 192 3HB ALA 25 3HB ALA 25 -1.150 2.912 8.686 193 H MET 26 H MET 26 -3.109 4.676 6.353 194 HA MET 26 HA MET 26 -2.455 7.167 5.507 195 1HB MET 26 1HB MET 26 -4.772 5.308 4.759 196 2HB MET 26 2HB MET 26 -4.420 6.759 3.841 197 1HG MET 26 1HG MET 26 -2.191 5.944 3.257 198 2HG MET 26 2HG MET 26 -2.330 4.596 4.368 199 1HE MET 26 1HE MET 26 -4.750 5.120 0.480 200 2HE MET 26 2HE MET 26 -5.113 6.078 1.935 201 3HE MET 26 3HE MET 26 -3.540 6.257 1.121 202 H GLU 27 H GLU 27 -5.421 6.083 7.233 203 HA GLU 27 HA GLU 27 -7.002 8.240 6.852 204 1HB GLU 27 1HB GLU 27 -6.688 6.174 8.972 205 2HB GLU 27 2HB GLU 27 -7.545 7.615 9.480 206 1HG GLU 27 1HG GLU 27 -9.030 7.378 7.426 207 2HG GLU 27 2HG GLU 27 -8.237 5.853 7.084 208 H GLU 28 H GLU 28 -4.374 7.817 9.303 209 HA GLU 28 HA GLU 28 -4.863 10.373 10.416 210 1HB GLU 28 1HB GLU 28 -3.852 8.331 11.598 211 2HB GLU 28 2HB GLU 28 -2.363 8.665 10.737 212 1HG GLU 28 1HG GLU 28 -2.918 11.165 11.743 213 2HG GLU 28 2HG GLU 28 -3.627 10.162 12.992 214 H LYS 29 H LYS 29 -2.321 8.932 8.269 215 HA LYS 29 HA LYS 29 -0.690 11.131 8.077 216 1HB LYS 29 1HB LYS 29 -0.036 8.957 7.262 217 2HB LYS 29 2HB LYS 29 -1.315 8.954 6.065 218 1HG LYS 29 1HG LYS 29 0.153 9.898 4.615 219 2HG LYS 29 2HG LYS 29 0.049 11.366 5.567 220 1HD LYS 29 1HD LYS 29 1.934 9.142 6.411 221 2HD LYS 29 2HD LYS 29 2.408 10.258 5.146 222 1HE LYS 29 1HE LYS 29 2.871 11.890 6.658 223 2HE LYS 29 2HE LYS 29 1.282 11.750 7.382 224 1HZ LYS 29 1HZ LYS 29 2.030 10.110 8.816 225 2HZ LYS 29 2HZ LYS 29 3.382 9.796 7.956 226 3HZ LYS 29 3HZ LYS 29 3.258 11.186 8.804 227 H PHE 30 H PHE 30 -3.211 10.176 5.632 228 HA PHE 30 HA PHE 30 -3.084 12.742 4.429 229 1HB PHE 30 1HB PHE 30 -4.945 10.302 4.308 230 2HB PHE 30 2HB PHE 30 -5.211 11.700 3.285 231 HD1 PHE 30 1HD PHE 30 -3.172 8.749 3.848 232 HD2 PHE 30 2HD PHE 30 -3.590 12.267 1.513 233 HE1 PHE 30 1HE PHE 30 -1.572 7.815 2.154 234 HE2 PHE 30 2HE PHE 30 -1.990 11.334 -0.181 235 HZ PHE 30 HZ PHE 30 -1.000 9.119 0.160 236 H GLY 31 H GLY 31 -4.392 11.772 7.362 237 1HA GLY 31 1HA GLY 31 -6.040 12.544 8.700 238 2HA GLY 31 2HA GLY 31 -5.588 14.102 8.037 239 H VAL 32 H VAL 32 -7.288 11.192 6.659 240 HA VAL 32 HA VAL 32 -9.467 13.020 5.917 241 HB VAL 32 HB VAL 32 -8.064 12.219 4.028 242 1HG1 VAL 32 1HG1 VAL 32 -7.767 10.007 3.476 243 2HG1 VAL 32 2HG1 VAL 32 -7.814 9.880 5.250 244 3HG1 VAL 32 3HG1 VAL 32 -9.260 9.484 4.291 245 1HG2 VAL 32 1HG2 VAL 32 -10.553 12.786 3.894 246 2HG2 VAL 32 2HG2 VAL 32 -9.882 11.799 2.574 247 3HG2 VAL 32 3HG2 VAL 32 -10.842 11.030 3.860 248 H SER 33 H SER 33 -9.894 12.285 8.345 249 HA SER 33 HA SER 33 -11.337 9.757 8.208 250 1HB SER 33 1HB SER 33 -10.081 11.268 10.527 251 2HB SER 33 2HB SER 33 -11.263 10.003 10.798 252 HG SER 33 HG SER 33 -9.615 8.652 10.652 253 H ALA 34 H ALA 34 -12.799 11.541 6.944 254 HA ALA 34 HA ALA 34 -15.052 11.954 8.558 255 1HB ALA 34 1HB ALA 34 -15.065 14.416 8.637 256 2HB ALA 34 2HB ALA 34 -13.666 13.764 9.525 257 3HB ALA 34 3HB ALA 34 -13.445 14.456 7.900 258 H ALA 35 H ALA 35 -15.935 10.807 6.755 259 HA ALA 35 HA ALA 35 -16.920 12.446 4.710 260 1HB ALA 35 1HB ALA 35 -15.694 11.159 2.825 261 2HB ALA 35 2HB ALA 35 -14.803 12.454 3.659 262 3HB ALA 35 3HB ALA 35 -14.491 10.751 4.072 263 H ALA 36 H ALA 36 -18.696 11.322 5.916 264 HA ALA 36 HA ALA 36 -19.123 8.687 6.155 265 1HB ALA 36 1HB ALA 36 -21.111 10.781 5.185 266 2HB ALA 36 2HB ALA 36 -21.530 9.220 5.930 267 3HB ALA 36 3HB ALA 36 -20.674 10.458 6.880 268 H ALA 37 H ALA 37 -18.715 7.046 4.759 269 HA ALA 37 HA ALA 37 -19.593 7.444 1.981 270 1HB ALA 37 1HB ALA 37 -17.067 6.188 3.100 271 2HB ALA 37 2HB ALA 37 -17.652 5.841 1.455 272 3HB ALA 37 3HB ALA 37 -17.216 7.505 1.912 273 1H SER 1 H SER 1 9.834 -4.284 -1.174 274 HA SER 1 HA SER 1 9.897 -4.259 1.707 275 1HB SER 1 1HB SER 1 10.541 -1.825 1.735 276 2HB SER 1 2HB SER 1 11.831 -2.888 1.209 277 HG SER 1 HG SER 1 11.810 -2.005 -0.758 278 H ILE 2 H ILE 2 7.618 -4.927 1.067 279 HA ILE 2 HA ILE 2 6.054 -2.653 0.089 280 HB ILE 2 HB ILE 2 5.194 -5.529 0.377 281 1HG1 ILE 2 1HG1 ILE 2 6.426 -4.133 -2.015 282 2HG1 ILE 2 2HG1 ILE 2 7.103 -5.479 -1.120 283 1HG2 ILE 2 1HG2 ILE 2 3.264 -4.968 -0.705 284 2HG2 ILE 2 2HG2 ILE 2 3.578 -3.442 0.155 285 3HG2 ILE 2 3HG2 ILE 2 4.005 -3.598 -1.566 286 1HD1 ILE 2 1HD1 ILE 2 4.548 -5.493 -2.786 287 2HD1 ILE 2 2HD1 ILE 2 6.059 -6.373 -3.120 288 3HD1 ILE 2 3HD1 ILE 2 5.045 -6.840 -1.734 289 H THR 3 H THR 3 6.821 -1.910 2.454 290 HA THR 3 HA THR 3 5.198 -3.036 4.553 291 HB THR 3 HB THR 3 6.328 -1.138 5.840 292 HG1 THR 3 1HG THR 3 7.995 -0.060 4.441 293 1HG2 THR 3 1HG2 THR 3 7.496 -3.390 5.515 294 2HG2 THR 3 2HG2 THR 3 8.277 -2.701 4.071 295 3HG2 THR 3 3HG2 THR 3 8.610 -2.011 5.678 296 H LYS 4 H LYS 4 3.702 -1.722 5.870 297 HA LYS 4 HA LYS 4 1.680 -0.694 4.266 298 1HB LYS 4 1HB LYS 4 2.255 -0.836 7.191 299 2HB LYS 4 2HB LYS 4 1.016 0.288 6.669 300 1HG LYS 4 1HG LYS 4 -0.229 -1.682 6.967 301 2HG LYS 4 2HG LYS 4 0.100 -1.731 5.247 302 1HD LYS 4 1HD LYS 4 2.224 -2.976 6.918 303 2HD LYS 4 2HD LYS 4 0.669 -3.776 7.033 304 1HE LYS 4 1HE LYS 4 0.570 -4.118 4.622 305 2HE LYS 4 2HE LYS 4 1.952 -3.074 4.356 306 1HZ LYS 4 1HZ LYS 4 2.054 -5.577 5.890 307 2HZ LYS 4 2HZ LYS 4 2.505 -5.430 4.328 308 3HZ LYS 4 3HZ LYS 4 3.327 -4.635 5.493 309 H ASP 5 H ASP 5 4.314 0.921 6.123 310 HA ASP 5 HA ASP 5 3.401 3.487 5.801 311 1HB ASP 5 1HB ASP 5 6.128 2.228 6.167 312 2HB ASP 5 2HB ASP 5 6.036 3.949 5.849 313 H GLN 6 H GLN 6 5.414 1.337 3.717 314 HA GLN 6 HA GLN 6 6.231 3.298 1.932 315 1HB GLN 6 1HB GLN 6 6.070 0.292 1.911 316 2HB GLN 6 2HB GLN 6 6.358 1.102 0.384 317 1HG GLN 6 1HG GLN 6 7.998 1.773 2.859 318 2HG GLN 6 2HG GLN 6 8.430 0.431 1.818 319 1HE2 GLN 6 1HE2 GLN 6 9.667 3.093 2.448 320 2HE2 GLN 6 2HE2 GLN 6 9.995 3.845 0.923 321 H ILE 7 H ILE 7 3.186 1.594 2.359 322 HA ILE 7 HA ILE 7 2.284 2.018 -0.323 323 HB ILE 7 HB ILE 7 0.960 1.087 2.219 324 1HG1 ILE 7 1HG1 ILE 7 1.480 -0.463 -0.323 325 2HG1 ILE 7 2HG1 ILE 7 2.673 -0.349 0.956 326 1HG2 ILE 7 1HG2 ILE 7 -0.727 2.260 0.938 327 2HG2 ILE 7 2HG2 ILE 7 -0.264 1.380 -0.538 328 3HG2 ILE 7 3HG2 ILE 7 -0.996 0.504 0.828 329 1HD1 ILE 7 1HD1 ILE 7 0.315 -2.031 0.823 330 2HD1 ILE 7 2HD1 ILE 7 1.617 -2.033 2.037 331 3HD1 ILE 7 3HD1 ILE 7 0.206 -0.969 2.248 332 H ILE 8 H ILE 8 2.216 3.745 2.782 333 HA ILE 8 HA ILE 8 0.143 5.514 2.175 334 HB ILE 8 HB ILE 8 2.559 5.830 3.959 335 1HG1 ILE 8 1HG1 ILE 8 -0.256 4.856 4.530 336 2HG1 ILE 8 2HG1 ILE 8 1.203 3.886 4.537 337 1HG2 ILE 8 1HG2 ILE 8 0.589 7.749 3.177 338 2HG2 ILE 8 2HG2 ILE 8 0.338 7.332 4.889 339 3HG2 ILE 8 3HG2 ILE 8 1.926 7.919 4.339 340 1HD1 ILE 8 1HD1 ILE 8 1.956 5.886 6.256 341 2HD1 ILE 8 2HD1 ILE 8 0.205 5.823 6.567 342 3HD1 ILE 8 3HD1 ILE 8 1.200 4.362 6.780 343 H GLU 9 H GLU 9 3.728 5.757 1.698 344 HA GLU 9 HA GLU 9 3.546 8.293 0.532 345 1HB GLU 9 1HB GLU 9 5.736 6.178 0.343 346 2HB GLU 9 2HB GLU 9 5.918 7.844 -0.169 347 1HG GLU 9 1HG GLU 9 4.944 8.208 2.384 348 2HG GLU 9 2HG GLU 9 5.822 6.706 2.590 349 H ALA 10 H ALA 10 2.721 5.151 -0.604 350 HA ALA 10 HA ALA 10 3.410 5.583 -3.348 351 1HB ALA 10 1HB ALA 10 1.396 3.555 -2.392 352 2HB ALA 10 2HB ALA 10 2.641 3.408 -3.656 353 3HB ALA 10 3HB ALA 10 3.107 3.368 -1.939 354 H VAL 11 H VAL 11 0.487 5.863 -1.261 355 HA VAL 11 HA VAL 11 -1.222 6.421 -3.474 356 HB VAL 11 HB VAL 11 -1.476 6.545 -0.475 357 1HG1 VAL 11 1HG1 VAL 11 -2.889 8.324 -1.173 358 2HG1 VAL 11 2HG1 VAL 11 -3.492 7.398 -2.569 359 3HG1 VAL 11 3HG1 VAL 11 -3.952 6.919 -0.917 360 1HG2 VAL 11 1HG2 VAL 11 -2.868 4.808 -2.540 361 2HG2 VAL 11 2HG2 VAL 11 -1.435 4.324 -1.600 362 3HG2 VAL 11 3HG2 VAL 11 -2.972 4.663 -0.769 363 H ALA 12 H ALA 12 1.057 8.220 -1.544 364 HA ALA 12 HA ALA 12 -0.213 10.756 -2.166 365 1HB ALA 12 1HB ALA 12 0.730 10.492 0.051 366 2HB ALA 12 2HB ALA 12 2.292 9.974 -0.625 367 3HB ALA 12 3HB ALA 12 1.738 11.650 -0.850 368 H ALA 13 H ALA 13 1.275 8.581 -4.028 369 HA ALA 13 HA ALA 13 3.168 10.462 -5.235 370 1HB ALA 13 1HB ALA 13 3.803 8.068 -4.513 371 2HB ALA 13 2HB ALA 13 2.821 7.523 -5.894 372 3HB ALA 13 3HB ALA 13 4.240 8.563 -6.166 373 H MET 14 H MET 14 0.080 8.788 -5.642 374 HA MET 14 HA MET 14 0.038 9.548 -8.438 375 1HB MET 14 1HB MET 14 -1.885 7.884 -6.717 376 2HB MET 14 2HB MET 14 -2.080 8.138 -8.440 377 1HG MET 14 1HG MET 14 -0.712 6.373 -8.839 378 2HG MET 14 2HG MET 14 0.611 7.239 -8.083 379 1HE MET 14 1HE MET 14 -1.909 4.780 -8.167 380 2HE MET 14 2HE MET 14 -1.439 3.604 -6.916 381 3HE MET 14 3HE MET 14 -2.652 4.854 -6.551 382 H SER 15 H SER 15 -2.291 10.319 -9.210 383 HA SER 15 HA SER 15 -2.732 12.719 -7.764 384 1HB SER 15 1HB SER 15 -4.693 12.712 -9.668 385 2HB SER 15 2HB SER 15 -3.048 13.238 -9.964 386 HG SER 15 HG SER 15 -3.743 11.691 -11.557 387 H VAL 16 H VAL 16 -5.018 13.446 -7.159 388 HA VAL 16 HA VAL 16 -6.125 11.693 -5.333 389 HB VAL 16 HB VAL 16 -7.197 14.152 -6.717 390 1HG1 VAL 16 1HG1 VAL 16 -8.863 14.245 -4.843 391 2HG1 VAL 16 2HG1 VAL 16 -9.133 12.918 -5.999 392 3HG1 VAL 16 3HG1 VAL 16 -8.396 12.582 -4.414 393 1HG2 VAL 16 1HG2 VAL 16 -5.210 14.478 -5.301 394 2HG2 VAL 16 2HG2 VAL 16 -6.647 15.266 -4.607 395 3HG2 VAL 16 3HG2 VAL 16 -6.063 13.726 -3.932 396 H MET 17 H MET 17 -7.089 12.458 -8.733 397 HA MET 17 HA MET 17 -9.401 11.012 -8.784 398 1HB MET 17 1HB MET 17 -7.314 11.890 -10.774 399 2HB MET 17 2HB MET 17 -8.430 10.660 -11.334 400 1HG MET 17 1HG MET 17 -9.494 13.142 -9.945 401 2HG MET 17 2HG MET 17 -9.051 13.213 -11.639 402 1HE MET 17 1HE MET 17 -11.661 14.026 -11.505 403 2HE MET 17 2HE MET 17 -13.024 12.889 -11.375 404 3HE MET 17 3HE MET 17 -12.097 13.337 -9.923 405 H ASP 18 H ASP 18 -6.007 9.916 -9.384 406 HA ASP 18 HA ASP 18 -6.664 7.384 -10.243 407 1HB ASP 18 1HB ASP 18 -4.402 8.472 -10.399 408 2HB ASP 18 2HB ASP 18 -4.210 8.294 -8.666 409 H VAL 19 H VAL 19 -6.431 8.886 -7.022 410 HA VAL 19 HA VAL 19 -6.284 6.399 -5.609 411 HB VAL 19 HB VAL 19 -6.728 9.270 -4.783 412 1HG1 VAL 19 1HG1 VAL 19 -7.693 8.316 -2.955 413 2HG1 VAL 19 2HG1 VAL 19 -6.897 6.745 -3.213 414 3HG1 VAL 19 3HG1 VAL 19 -5.993 8.091 -2.479 415 1HG2 VAL 19 1HG2 VAL 19 -4.496 8.846 -5.628 416 2HG2 VAL 19 2HG2 VAL 19 -4.429 9.037 -3.859 417 3HG2 VAL 19 3HG2 VAL 19 -4.333 7.414 -4.584 418 H VAL 20 H VAL 20 -8.788 8.618 -6.803 419 HA VAL 20 HA VAL 20 -10.877 7.565 -5.212 420 HB VAL 20 HB VAL 20 -10.707 9.194 -7.736 421 1HG1 VAL 20 1HG1 VAL 20 -13.194 9.529 -7.502 422 2HG1 VAL 20 2HG1 VAL 20 -12.704 7.910 -8.059 423 3HG1 VAL 20 3HG1 VAL 20 -13.208 8.156 -6.369 424 1HG2 VAL 20 1HG2 VAL 20 -10.187 10.112 -5.389 425 2HG2 VAL 20 2HG2 VAL 20 -11.346 11.016 -6.393 426 3HG2 VAL 20 3HG2 VAL 20 -11.935 9.963 -5.084 427 H GLU 21 H GLU 21 -9.576 6.856 -8.504 428 HA GLU 21 HA GLU 21 -11.513 4.951 -9.108 429 1HB GLU 21 1HB GLU 21 -8.716 5.517 -10.132 430 2HB GLU 21 2HB GLU 21 -9.618 4.140 -10.733 431 1HG GLU 21 1HG GLU 21 -11.438 5.581 -11.512 432 2HG GLU 21 2HG GLU 21 -10.733 6.982 -10.728 433 H LEU 22 H LEU 22 -8.240 4.733 -7.593 434 HA LEU 22 HA LEU 22 -8.054 1.984 -7.463 435 1HB LEU 22 1HB LEU 22 -6.261 3.614 -7.002 436 2HB LEU 22 2HB LEU 22 -7.041 4.035 -5.491 437 HG LEU 22 HG LEU 22 -6.726 1.223 -5.446 438 1HD1 LEU 22 1HD1 LEU 22 -4.181 1.144 -5.635 439 2HD1 LEU 22 2HD1 LEU 22 -5.112 1.171 -7.151 440 3HD1 LEU 22 3HD1 LEU 22 -4.317 2.653 -6.569 441 1HD2 LEU 22 1HD2 LEU 22 -5.025 1.836 -3.638 442 2HD2 LEU 22 2HD2 LEU 22 -5.412 3.532 -4.015 443 3HD2 LEU 22 3HD2 LEU 22 -6.689 2.434 -3.438 444 H ILE 23 H ILE 23 -9.170 4.206 -4.806 445 HA ILE 23 HA ILE 23 -10.002 2.260 -3.085 446 HB ILE 23 HB ILE 23 -10.926 5.073 -3.588 447 1HG1 ILE 23 1HG1 ILE 23 -9.394 3.858 -1.273 448 2HG1 ILE 23 2HG1 ILE 23 -8.633 4.588 -2.673 449 1HG2 ILE 23 1HG2 ILE 23 -12.146 4.956 -1.431 450 2HG2 ILE 23 2HG2 ILE 23 -12.876 3.961 -2.713 451 3HG2 ILE 23 3HG2 ILE 23 -11.913 3.192 -1.428 452 1HD1 ILE 23 1HD1 ILE 23 -8.719 6.460 -1.320 453 2HD1 ILE 23 2HD1 ILE 23 -10.331 6.605 -2.061 454 3HD1 ILE 23 3HD1 ILE 23 -10.158 5.887 -0.442 455 H SER 24 H SER 24 -11.862 3.813 -5.773 456 HA SER 24 HA SER 24 -14.256 2.607 -5.216 457 1HB SER 24 1HB SER 24 -12.970 3.791 -7.658 458 2HB SER 24 2HB SER 24 -14.417 2.835 -7.910 459 HG SER 24 HG SER 24 -15.550 4.207 -6.407 460 H ALA 25 H ALA 25 -11.386 1.434 -7.027 461 HA ALA 25 HA ALA 25 -12.593 -0.771 -8.239 462 1HB ALA 25 1HB ALA 25 -10.273 0.380 -8.589 463 2HB ALA 25 2HB ALA 25 -9.718 -0.722 -7.306 464 3HB ALA 25 3HB ALA 25 -10.401 -1.381 -8.812 465 H MET 26 H MET 26 -10.390 -0.760 -5.340 466 HA MET 26 HA MET 26 -10.822 -3.327 -4.619 467 1HB MET 26 1HB MET 26 -10.336 -0.807 -2.946 468 2HB MET 26 2HB MET 26 -10.294 -2.407 -2.232 469 1HG MET 26 1HG MET 26 -8.445 -3.089 -3.685 470 2HG MET 26 2HG MET 26 -8.578 -1.621 -4.633 471 1HE MET 26 1HE MET 26 -5.715 -2.259 -3.529 472 2HE MET 26 2HE MET 26 -6.286 -0.858 -4.468 473 3HE MET 26 3HE MET 26 -5.331 -0.608 -2.986 474 H GLU 27 H GLU 27 -12.805 -0.428 -3.815 475 HA GLU 27 HA GLU 27 -14.371 -1.451 -1.874 476 1HB GLU 27 1HB GLU 27 -14.761 0.591 -4.035 477 2HB GLU 27 2HB GLU 27 -16.200 0.063 -3.187 478 1HG GLU 27 1HG GLU 27 -14.946 0.528 -0.991 479 2HG GLU 27 2HG GLU 27 -13.688 1.278 -1.953 480 H GLU 28 H GLU 28 -14.712 -1.864 -5.445 481 HA GLU 28 HA GLU 28 -17.091 -3.392 -5.108 482 1HB GLU 28 1HB GLU 28 -16.449 -1.880 -7.113 483 2HB GLU 28 2HB GLU 28 -15.407 -3.190 -7.632 484 1HG GLU 28 1HG GLU 28 -17.635 -4.650 -7.242 485 2HG GLU 28 2HG GLU 28 -18.418 -3.101 -7.486 486 H LYS 29 H LYS 29 -13.659 -4.032 -6.095 487 HA LYS 29 HA LYS 29 -13.872 -6.687 -6.675 488 1HB LYS 29 1HB LYS 29 -11.865 -5.426 -7.107 489 2HB LYS 29 2HB LYS 29 -11.602 -5.141 -5.398 490 1HG LYS 29 1HG LYS 29 -10.149 -6.952 -5.893 491 2HG LYS 29 2HG LYS 29 -11.528 -7.724 -5.136 492 1HD LYS 29 1HD LYS 29 -12.443 -8.390 -7.300 493 2HD LYS 29 2HD LYS 29 -11.267 -7.417 -8.161 494 1HE LYS 29 1HE LYS 29 -9.914 -9.238 -8.237 495 2HE LYS 29 2HE LYS 29 -9.700 -9.089 -6.504 496 1HZ LYS 29 1HZ LYS 29 -11.739 -10.418 -6.260 497 2HZ LYS 29 2HZ LYS 29 -11.772 -10.653 -7.875 498 3HZ LYS 29 3HZ LYS 29 -10.527 -11.232 -6.991 499 H PHE 30 H PHE 30 -12.856 -5.355 -3.443 500 HA PHE 30 HA PHE 30 -13.152 -7.909 -2.246 501 1HB PHE 30 1HB PHE 30 -12.776 -5.012 -1.303 502 2HB PHE 30 2HB PHE 30 -12.868 -6.328 -0.150 503 HD1 PHE 30 1HD PHE 30 -11.030 -7.844 0.151 504 HD2 PHE 30 2HD PHE 30 -10.866 -4.857 -2.858 505 HE1 PHE 30 1HE PHE 30 -8.570 -8.258 -0.125 506 HE2 PHE 30 2HE PHE 30 -8.405 -5.270 -3.134 507 HZ PHE 30 HZ PHE 30 -7.287 -6.966 -1.765 508 H GLY 31 H GLY 31 -15.385 -5.448 -3.135 509 1HA GLY 31 1HA GLY 31 -17.484 -4.923 -2.447 510 2HA GLY 31 2HA GLY 31 -17.671 -6.665 -2.476 511 H VAL 32 H VAL 32 -15.597 -4.747 -0.228 512 HA VAL 32 HA VAL 32 -17.472 -5.405 1.925 513 HB VAL 32 HB VAL 32 -14.517 -5.966 1.770 514 1HG1 VAL 32 1HG1 VAL 32 -14.433 -5.063 3.861 515 2HG1 VAL 32 2HG1 VAL 32 -16.174 -5.291 4.154 516 3HG1 VAL 32 3HG1 VAL 32 -15.058 -6.670 4.304 517 1HG2 VAL 32 1HG2 VAL 32 -16.572 -7.600 1.211 518 2HG2 VAL 32 2HG2 VAL 32 -15.063 -8.171 1.962 519 3HG2 VAL 32 3HG2 VAL 32 -16.492 -7.847 2.972 520 H SER 33 H SER 33 -18.040 -3.086 1.236 521 HA SER 33 HA SER 33 -16.409 -1.344 2.876 522 1HB SER 33 1HB SER 33 -15.622 -0.945 0.585 523 2HB SER 33 2HB SER 33 -17.266 -0.742 0.013 524 HG SER 33 HG SER 33 -16.734 1.341 0.347 525 H ALA 34 H ALA 34 -18.053 -1.285 4.474 526 HA ALA 34 HA ALA 34 -20.119 0.553 4.058 527 1HB ALA 34 1HB ALA 34 -21.386 -0.983 2.829 528 2HB ALA 34 2HB ALA 34 -20.807 -2.374 3.777 529 3HB ALA 34 3HB ALA 34 -21.984 -1.241 4.485 530 H ALA 35 H ALA 35 -18.465 0.961 5.913 531 HA ALA 35 HA ALA 35 -19.819 0.569 8.332 532 1HB ALA 35 1HB ALA 35 -17.274 -1.075 8.051 533 2HB ALA 35 2HB ALA 35 -18.334 -0.963 9.477 534 3HB ALA 35 3HB ALA 35 -18.916 -1.759 7.996 535 H ALA 36 H ALA 36 -19.469 2.900 8.042 536 HA ALA 36 HA ALA 36 -17.296 3.830 9.515 537 1HB ALA 36 1HB ALA 36 -16.230 5.130 7.535 538 2HB ALA 36 2HB ALA 36 -15.808 3.412 7.734 539 3HB ALA 36 3HB ALA 36 -16.998 3.900 6.503 540 H ALA 37 H ALA 37 -17.227 6.339 9.398 541 HA ALA 37 HA ALA 37 -19.555 7.549 8.226 542 1HB ALA 37 1HB ALA 37 -20.086 8.449 10.677 543 2HB ALA 37 2HB ALA 37 -20.786 6.924 10.082 544 3HB ALA 37 3HB ALA 37 -19.362 6.893 11.150 Start of MODEL 19 1 1H SER 1 H SER 1 7.442 -2.049 -12.408 2 HA SER 1 HA SER 1 5.283 -1.824 -12.813 3 1HB SER 1 1HB SER 1 4.095 -4.081 -12.829 4 2HB SER 1 2HB SER 1 5.634 -4.034 -13.666 5 HG SER 1 HG SER 1 5.916 -4.683 -10.967 6 H ILE 2 H ILE 2 5.021 -0.361 -10.840 7 HA ILE 2 HA ILE 2 3.451 -1.677 -8.746 8 HB ILE 2 HB ILE 2 4.652 1.085 -8.677 9 1HG1 ILE 2 1HG1 ILE 2 5.907 -1.514 -7.745 10 2HG1 ILE 2 2HG1 ILE 2 6.448 -0.535 -9.094 11 1HG2 ILE 2 1HG2 ILE 2 3.523 1.236 -6.774 12 2HG2 ILE 2 2HG2 ILE 2 2.958 -0.446 -6.919 13 3HG2 ILE 2 3HG2 ILE 2 4.512 -0.094 -6.125 14 1HD1 ILE 2 1HD1 ILE 2 6.252 1.274 -6.919 15 2HD1 ILE 2 2HD1 ILE 2 6.994 -0.200 -6.251 16 3HD1 ILE 2 3HD1 ILE 2 7.743 0.622 -7.641 17 H THR 3 H THR 3 1.869 -1.738 -10.771 18 HA THR 3 HA THR 3 0.570 0.782 -11.282 19 HB THR 3 HB THR 3 -0.910 -0.744 -12.678 20 HG1 THR 3 1HG THR 3 -0.228 -3.010 -12.601 21 1HG2 THR 3 1HG2 THR 3 0.718 -1.236 -14.329 22 2HG2 THR 3 2HG2 THR 3 1.515 0.064 -13.412 23 3HG2 THR 3 3HG2 THR 3 1.960 -1.634 -13.118 24 H LYS 4 H LYS 4 -1.758 1.140 -10.929 25 HA LYS 4 HA LYS 4 -2.353 0.865 -8.224 26 1HB LYS 4 1HB LYS 4 -3.862 1.757 -10.662 27 2HB LYS 4 2HB LYS 4 -4.725 1.536 -9.153 28 1HG LYS 4 1HG LYS 4 -2.161 3.174 -9.301 29 2HG LYS 4 2HG LYS 4 -3.727 3.888 -9.629 30 1HD LYS 4 1HD LYS 4 -4.511 3.502 -7.405 31 2HD LYS 4 2HD LYS 4 -3.272 2.307 -7.076 32 1HE LYS 4 1HE LYS 4 -1.662 4.437 -7.604 33 2HE LYS 4 2HE LYS 4 -3.078 5.305 -7.046 34 1HZ LYS 4 1HZ LYS 4 -2.218 3.036 -5.471 35 2HZ LYS 4 2HZ LYS 4 -1.292 4.379 -5.405 36 3HZ LYS 4 3HZ LYS 4 -2.868 4.453 -4.985 37 H ASP 5 H ASP 5 -3.474 -0.974 -11.126 38 HA ASP 5 HA ASP 5 -5.358 -2.487 -9.867 39 1HB ASP 5 1HB ASP 5 -3.588 -2.812 -12.269 40 2HB ASP 5 2HB ASP 5 -4.370 -4.269 -11.688 41 H GLN 6 H GLN 6 -1.784 -2.921 -10.203 42 HA GLN 6 HA GLN 6 -1.658 -5.511 -9.270 43 1HB GLN 6 1HB GLN 6 0.222 -3.263 -9.716 44 2HB GLN 6 2HB GLN 6 0.752 -4.384 -8.478 45 1HG GLN 6 1HG GLN 6 -0.143 -6.126 -10.441 46 2HG GLN 6 2HG GLN 6 0.470 -4.800 -11.410 47 1HE2 GLN 6 1HE2 GLN 6 1.347 -6.574 -8.443 48 2HE2 GLN 6 2HE2 GLN 6 3.033 -6.767 -8.793 49 H ILE 7 H ILE 7 -2.133 -2.444 -7.597 50 HA ILE 7 HA ILE 7 -1.272 -3.416 -5.051 51 HB ILE 7 HB ILE 7 -2.749 -0.947 -5.954 52 1HG1 ILE 7 1HG1 ILE 7 0.069 -1.238 -4.883 53 2HG1 ILE 7 2HG1 ILE 7 -0.319 -1.279 -6.591 54 1HG2 ILE 7 1HG2 ILE 7 -3.448 -0.694 -3.856 55 2HG2 ILE 7 2HG2 ILE 7 -2.465 -2.061 -3.277 56 3HG2 ILE 7 3HG2 ILE 7 -1.741 -0.441 -3.418 57 1HD1 ILE 7 1HD1 ILE 7 -1.525 0.977 -6.237 58 2HD1 ILE 7 2HD1 ILE 7 -0.734 1.021 -4.643 59 3HD1 ILE 7 3HD1 ILE 7 0.251 0.998 -6.125 60 H ILE 8 H ILE 8 -4.272 -3.334 -6.948 61 HA ILE 8 HA ILE 8 -6.062 -3.803 -4.863 62 HB ILE 8 HB ILE 8 -6.125 -4.544 -7.787 63 1HG1 ILE 8 1HG1 ILE 8 -5.989 -2.155 -7.415 64 2HG1 ILE 8 2HG1 ILE 8 -7.592 -2.581 -7.981 65 1HG2 ILE 8 1HG2 ILE 8 -8.745 -4.317 -6.740 66 2HG2 ILE 8 2HG2 ILE 8 -7.944 -5.754 -7.420 67 3HG2 ILE 8 3HG2 ILE 8 -7.849 -5.425 -5.674 68 1HD1 ILE 8 1HD1 ILE 8 -8.082 -1.139 -6.195 69 2HD1 ILE 8 2HD1 ILE 8 -8.183 -2.731 -5.406 70 3HD1 ILE 8 3HD1 ILE 8 -6.722 -1.733 -5.212 71 H GLU 9 H GLU 9 -4.237 -6.091 -7.002 72 HA GLU 9 HA GLU 9 -5.329 -8.356 -5.812 73 1HB GLU 9 1HB GLU 9 -2.943 -7.788 -7.570 74 2HB GLU 9 2HB GLU 9 -3.080 -9.373 -6.835 75 1HG GLU 9 1HG GLU 9 -5.491 -9.451 -7.762 76 2HG GLU 9 2HG GLU 9 -5.086 -8.021 -8.690 77 H ALA 10 H ALA 10 -3.001 -6.059 -4.692 78 HA ALA 10 HA ALA 10 -1.456 -7.882 -3.122 79 1HB ALA 10 1HB ALA 10 -0.108 -6.091 -3.318 80 2HB ALA 10 2HB ALA 10 -1.453 -5.067 -3.875 81 3HB ALA 10 3HB ALA 10 -1.148 -5.265 -2.132 82 H VAL 11 H VAL 11 -4.344 -5.813 -2.701 83 HA VAL 11 HA VAL 11 -4.359 -6.124 0.140 84 HB VAL 11 HB VAL 11 -6.252 -5.001 -1.915 85 1HG1 VAL 11 1HG1 VAL 11 -7.725 -4.267 -0.107 86 2HG1 VAL 11 2HG1 VAL 11 -7.607 -6.043 -0.135 87 3HG1 VAL 11 3HG1 VAL 11 -6.709 -5.111 1.087 88 1HG2 VAL 11 1HG2 VAL 11 -4.861 -3.262 -1.620 89 2HG2 VAL 11 2HG2 VAL 11 -5.677 -3.050 -0.052 90 3HG2 VAL 11 3HG2 VAL 11 -4.151 -3.961 -0.145 91 H ALA 12 H ALA 12 -5.459 -7.942 -2.657 92 HA ALA 12 HA ALA 12 -7.298 -9.515 -1.060 93 1HB ALA 12 1HB ALA 12 -8.206 -9.368 -3.152 94 2HB ALA 12 2HB ALA 12 -6.626 -9.142 -3.939 95 3HB ALA 12 3HB ALA 12 -7.157 -10.773 -3.462 96 H ALA 13 H ALA 13 -4.018 -9.270 -1.197 97 HA ALA 13 HA ALA 13 -3.605 -12.176 -1.153 98 1HB ALA 13 1HB ALA 13 -2.159 -9.934 -2.290 99 2HB ALA 13 2HB ALA 13 -1.130 -10.803 -1.125 100 3HB ALA 13 3HB ALA 13 -1.867 -11.679 -2.487 101 H MET 14 H MET 14 -3.595 -9.176 0.701 102 HA MET 14 HA MET 14 -2.146 -10.480 2.842 103 1HB MET 14 1HB MET 14 -3.176 -7.609 2.488 104 2HB MET 14 2HB MET 14 -2.216 -8.146 3.852 105 1HG MET 14 1HG MET 14 -0.303 -8.637 2.417 106 2HG MET 14 2HG MET 14 -1.257 -8.410 0.965 107 1HE MET 14 1HE MET 14 0.980 -7.353 0.706 108 2HE MET 14 2HE MET 14 0.743 -5.645 0.262 109 3HE MET 14 3HE MET 14 1.621 -6.064 1.753 110 H SER 15 H SER 15 -3.046 -9.920 5.166 111 HA SER 15 HA SER 15 -5.699 -10.962 5.177 112 1HB SER 15 1HB SER 15 -5.139 -10.491 7.811 113 2HB SER 15 2HB SER 15 -4.654 -11.940 6.954 114 HG SER 15 HG SER 15 -2.774 -11.185 7.883 115 H VAL 16 H VAL 16 -7.425 -9.948 6.636 116 HA VAL 16 HA VAL 16 -7.988 -7.377 5.803 117 HB VAL 16 HB VAL 16 -8.975 -8.974 8.172 118 1HG1 VAL 16 1HG1 VAL 16 -10.434 -7.355 8.733 119 2HG1 VAL 16 2HG1 VAL 16 -9.329 -6.268 7.858 120 3HG1 VAL 16 3HG1 VAL 16 -10.764 -6.928 7.037 121 1HG2 VAL 16 1HG2 VAL 16 -10.848 -9.559 6.738 122 2HG2 VAL 16 2HG2 VAL 16 -10.201 -8.545 5.426 123 3HG2 VAL 16 3HG2 VAL 16 -9.320 -10.004 5.940 124 H MET 17 H MET 17 -6.472 -8.572 8.857 125 HA MET 17 HA MET 17 -6.429 -6.208 10.204 126 1HB MET 17 1HB MET 17 -4.766 -8.723 10.139 127 2HB MET 17 2HB MET 17 -4.061 -7.364 10.993 128 1HG MET 17 1HG MET 17 -6.916 -7.762 11.663 129 2HG MET 17 2HG MET 17 -5.937 -9.165 12.041 130 1HE MET 17 1HE MET 17 -6.166 -8.892 14.788 131 2HE MET 17 2HE MET 17 -4.724 -9.492 13.934 132 3HE MET 17 3HE MET 17 -4.545 -8.360 15.295 133 H ASP 18 H ASP 18 -4.051 -7.490 7.798 134 HA ASP 18 HA ASP 18 -2.163 -5.527 8.146 135 1HB ASP 18 1HB ASP 18 -1.762 -7.581 6.848 136 2HB ASP 18 2HB ASP 18 -2.962 -7.110 5.661 137 H VAL 19 H VAL 19 -5.236 -5.651 6.322 138 HA VAL 19 HA VAL 19 -4.655 -3.328 4.752 139 HB VAL 19 HB VAL 19 -7.191 -4.904 5.231 140 1HG1 VAL 19 1HG1 VAL 19 -8.279 -3.256 4.193 141 2HG1 VAL 19 2HG1 VAL 19 -6.763 -2.364 3.919 142 3HG1 VAL 19 3HG1 VAL 19 -7.302 -3.585 2.742 143 1HG2 VAL 19 1HG2 VAL 19 -6.734 -5.936 3.071 144 2HG2 VAL 19 2HG2 VAL 19 -5.254 -4.963 2.893 145 3HG2 VAL 19 3HG2 VAL 19 -5.361 -6.193 4.175 146 H VAL 20 H VAL 20 -6.115 -4.089 7.889 147 HA VAL 20 HA VAL 20 -7.547 -1.675 8.166 148 HB VAL 20 HB VAL 20 -6.553 -3.823 10.018 149 1HG1 VAL 20 1HG1 VAL 20 -7.978 -2.644 11.794 150 2HG1 VAL 20 2HG1 VAL 20 -6.377 -1.951 11.444 151 3HG1 VAL 20 3HG1 VAL 20 -7.841 -1.192 10.773 152 1HG2 VAL 20 1HG2 VAL 20 -8.851 -3.474 8.416 153 2HG2 VAL 20 2HG2 VAL 20 -8.548 -4.743 9.627 154 3HG2 VAL 20 3HG2 VAL 20 -9.383 -3.244 10.099 155 H GLU 21 H GLU 21 -4.217 -2.750 9.038 156 HA GLU 21 HA GLU 21 -3.529 -0.471 10.434 157 1HB GLU 21 1HB GLU 21 -2.041 -2.662 9.018 158 2HB GLU 21 2HB GLU 21 -1.129 -1.230 9.450 159 1HG GLU 21 1HG GLU 21 -2.757 -1.906 11.722 160 2HG GLU 21 2HG GLU 21 -2.014 -3.392 11.164 161 H LEU 22 H LEU 22 -3.085 -1.321 6.933 162 HA LEU 22 HA LEU 22 -1.788 0.976 6.154 163 1HB LEU 22 1HB LEU 22 -2.088 -1.069 4.817 164 2HB LEU 22 2HB LEU 22 -3.784 -0.680 4.603 165 HG LEU 22 HG LEU 22 -2.815 1.576 3.607 166 1HD1 LEU 22 1HD1 LEU 22 -0.632 -0.084 2.517 167 2HD1 LEU 22 2HD1 LEU 22 -0.670 1.644 2.941 168 3HD1 LEU 22 3HD1 LEU 22 -0.433 0.420 4.212 169 1HD2 LEU 22 1HD2 LEU 22 -4.063 -0.547 2.564 170 2HD2 LEU 22 2HD2 LEU 22 -3.436 0.791 1.572 171 3HD2 LEU 22 3HD2 LEU 22 -2.497 -0.712 1.734 172 H ILE 23 H ILE 23 -5.357 0.327 5.859 173 HA ILE 23 HA ILE 23 -6.099 2.805 5.036 174 HB ILE 23 HB ILE 23 -7.501 0.796 6.788 175 1HG1 ILE 23 1HG1 ILE 23 -7.911 1.481 3.865 176 2HG1 ILE 23 2HG1 ILE 23 -6.855 0.199 4.422 177 1HG2 ILE 23 1HG2 ILE 23 -8.245 3.527 6.341 178 2HG2 ILE 23 2HG2 ILE 23 -9.394 2.461 5.497 179 3HG2 ILE 23 3HG2 ILE 23 -9.106 2.255 7.241 180 1HD1 ILE 23 1HD1 ILE 23 -8.620 -1.127 5.191 181 2HD1 ILE 23 2HD1 ILE 23 -9.685 0.272 5.469 182 3HD1 ILE 23 3HD1 ILE 23 -9.395 -0.310 3.812 183 H SER 24 H SER 24 -5.591 1.669 8.432 184 HA SER 24 HA SER 24 -6.502 3.964 9.635 185 1HB SER 24 1HB SER 24 -4.728 1.679 10.406 186 2HB SER 24 2HB SER 24 -4.621 3.107 11.417 187 HG SER 24 HG SER 24 -6.609 1.203 11.299 188 H ALA 25 H ALA 25 -3.313 3.112 8.234 189 HA ALA 25 HA ALA 25 -1.832 5.184 9.369 190 1HB ALA 25 1HB ALA 25 -0.154 4.475 7.926 191 2HB ALA 25 2HB ALA 25 -1.193 3.030 7.972 192 3HB ALA 25 3HB ALA 25 -1.290 4.151 6.594 193 H MET 26 H MET 26 -3.207 4.966 6.004 194 HA MET 26 HA MET 26 -2.634 7.522 5.294 195 1HB MET 26 1HB MET 26 -4.949 5.660 4.553 196 2HB MET 26 2HB MET 26 -4.704 7.187 3.730 197 1HG MET 26 1HG MET 26 -2.368 6.456 3.119 198 2HG MET 26 2HG MET 26 -2.667 4.912 3.891 199 1HE MET 26 1HE MET 26 -1.833 4.470 0.957 200 2HE MET 26 2HE MET 26 -2.414 3.329 2.194 201 3HE MET 26 3HE MET 26 -3.132 3.318 0.565 202 H GLU 27 H GLU 27 -5.519 6.261 7.051 203 HA GLU 27 HA GLU 27 -7.105 8.451 6.927 204 1HB GLU 27 1HB GLU 27 -6.732 6.200 8.856 205 2HB GLU 27 2HB GLU 27 -7.630 7.577 9.464 206 1HG GLU 27 1HG GLU 27 -9.239 7.432 7.628 207 2HG GLU 27 2HG GLU 27 -8.273 6.223 6.806 208 H GLU 28 H GLU 28 -4.387 7.777 9.212 209 HA GLU 28 HA GLU 28 -4.880 10.193 10.625 210 1HB GLU 28 1HB GLU 28 -3.991 8.267 11.825 211 2HB GLU 28 2HB GLU 28 -2.622 8.152 10.737 212 1HG GLU 28 1HG GLU 28 -1.488 9.886 11.750 213 2HG GLU 28 2HG GLU 28 -2.946 10.816 12.036 214 H LYS 29 H LYS 29 -2.429 8.969 8.264 215 HA LYS 29 HA LYS 29 -0.731 11.142 8.330 216 1HB LYS 29 1HB LYS 29 -0.122 9.063 7.271 217 2HB LYS 29 2HB LYS 29 -1.414 9.212 6.097 218 1HG LYS 29 1HG LYS 29 -0.045 10.398 4.737 219 2HG LYS 29 2HG LYS 29 0.088 11.648 5.957 220 1HD LYS 29 1HD LYS 29 1.752 9.148 6.286 221 2HD LYS 29 2HD LYS 29 2.249 10.324 5.085 222 1HE LYS 29 1HE LYS 29 1.554 11.311 7.856 223 2HE LYS 29 2HE LYS 29 3.089 10.499 7.623 224 1HZ LYS 29 1HZ LYS 29 2.222 12.708 5.903 225 2HZ LYS 29 2HZ LYS 29 3.074 12.949 7.275 226 3HZ LYS 29 3HZ LYS 29 3.724 12.086 6.051 227 H PHE 30 H PHE 30 -3.301 10.510 5.832 228 HA PHE 30 HA PHE 30 -3.157 13.205 4.944 229 1HB PHE 30 1HB PHE 30 -5.089 10.847 4.540 230 2HB PHE 30 2HB PHE 30 -5.246 12.347 3.648 231 HD1 PHE 30 1HD PHE 30 -3.495 9.205 3.906 232 HD2 PHE 30 2HD PHE 30 -3.430 13.027 2.064 233 HE1 PHE 30 1HE PHE 30 -1.890 8.345 2.178 234 HE2 PHE 30 2HE PHE 30 -1.826 12.167 0.336 235 HZ PHE 30 HZ PHE 30 -1.075 9.836 0.414 236 H GLY 31 H GLY 31 -4.462 11.868 7.736 237 1HA GLY 31 1HA GLY 31 -6.060 12.507 9.195 238 2HA GLY 31 2HA GLY 31 -5.623 14.128 8.693 239 H VAL 32 H VAL 32 -7.275 11.436 6.897 240 HA VAL 32 HA VAL 32 -9.629 13.183 6.724 241 HB VAL 32 HB VAL 32 -8.404 11.464 4.557 242 1HG1 VAL 32 1HG1 VAL 32 -10.604 13.267 3.818 243 2HG1 VAL 32 2HG1 VAL 32 -10.309 11.570 3.370 244 3HG1 VAL 32 3HG1 VAL 32 -11.093 11.958 4.920 245 1HG2 VAL 32 1HG2 VAL 32 -8.796 14.151 3.725 246 2HG2 VAL 32 2HG2 VAL 32 -7.995 14.206 5.314 247 3HG2 VAL 32 3HG2 VAL 32 -7.260 13.287 3.978 248 H SER 33 H SER 33 -9.923 11.782 8.808 249 HA SER 33 HA SER 33 -10.619 9.072 8.253 250 1HB SER 33 1HB SER 33 -10.608 10.841 10.706 251 2HB SER 33 2HB SER 33 -11.480 9.322 10.750 252 HG SER 33 HG SER 33 -9.573 8.471 11.227 253 H ALA 34 H ALA 34 -12.345 9.309 6.682 254 HA ALA 34 HA ALA 34 -14.392 9.767 5.934 255 1HB ALA 34 1HB ALA 34 -14.614 7.928 7.746 256 2HB ALA 34 2HB ALA 34 -15.337 9.203 8.756 257 3HB ALA 34 3HB ALA 34 -16.099 8.751 7.213 258 H ALA 35 H ALA 35 -13.718 12.095 5.714 259 HA ALA 35 HA ALA 35 -15.705 13.746 6.902 260 1HB ALA 35 1HB ALA 35 -13.240 13.450 8.320 261 2HB ALA 35 2HB ALA 35 -13.250 15.073 7.590 262 3HB ALA 35 3HB ALA 35 -14.580 14.570 8.660 263 H ALA 36 H ALA 36 -16.216 14.077 4.680 264 HA ALA 36 HA ALA 36 -16.108 15.097 2.721 265 1HB ALA 36 1HB ALA 36 -14.464 17.141 2.653 266 2HB ALA 36 2HB ALA 36 -15.868 17.185 3.747 267 3HB ALA 36 3HB ALA 36 -14.253 16.799 4.387 268 H ALA 37 H ALA 37 -14.765 15.366 0.717 269 HA ALA 37 HA ALA 37 -12.558 13.441 0.811 270 1HB ALA 37 1HB ALA 37 -13.610 12.581 -0.977 271 2HB ALA 37 2HB ALA 37 -14.806 13.899 -0.942 272 3HB ALA 37 3HB ALA 37 -13.293 14.094 -1.859 273 1H SER 1 H SER 1 9.822 -3.857 -2.681 274 HA SER 1 HA SER 1 9.947 -4.201 0.178 275 1HB SER 1 1HB SER 1 10.598 -1.864 0.590 276 2HB SER 1 2HB SER 1 11.844 -2.690 -0.326 277 HG SER 1 HG SER 1 10.174 -1.650 -2.152 278 H ILE 2 H ILE 2 7.680 -4.865 -0.477 279 HA ILE 2 HA ILE 2 6.012 -2.573 -1.196 280 HB ILE 2 HB ILE 2 5.217 -5.477 -1.093 281 1HG1 ILE 2 1HG1 ILE 2 6.317 -3.955 -3.475 282 2HG1 ILE 2 2HG1 ILE 2 7.175 -5.197 -2.584 283 1HG2 ILE 2 1HG2 ILE 2 3.215 -4.799 -1.780 284 2HG2 ILE 2 2HG2 ILE 2 3.734 -3.136 -1.413 285 3HG2 ILE 2 3HG2 ILE 2 3.920 -3.783 -3.061 286 1HD1 ILE 2 1HD1 ILE 2 6.173 -6.228 -4.547 287 2HD1 ILE 2 2HD1 ILE 2 5.288 -6.806 -3.115 288 3HD1 ILE 2 3HD1 ILE 2 4.579 -5.543 -4.149 289 H THR 3 H THR 3 6.819 -1.979 1.192 290 HA THR 3 HA THR 3 5.243 -3.331 3.216 291 HB THR 3 HB THR 3 6.500 -1.715 4.703 292 HG1 THR 3 1HG THR 3 7.650 -0.102 3.633 293 1HG2 THR 3 1HG2 THR 3 8.622 -2.644 2.791 294 2HG2 THR 3 2HG2 THR 3 8.527 -2.847 4.556 295 3HG2 THR 3 3HG2 THR 3 7.582 -3.910 3.485 296 H LYS 4 H LYS 4 3.786 -2.176 4.674 297 HA LYS 4 HA LYS 4 1.785 -0.873 3.315 298 1HB LYS 4 1HB LYS 4 2.521 -1.247 6.186 299 2HB LYS 4 2HB LYS 4 1.299 -0.048 5.812 300 1HG LYS 4 1HG LYS 4 -0.072 -1.910 5.967 301 2HG LYS 4 2HG LYS 4 0.322 -2.012 4.263 302 1HD LYS 4 1HD LYS 4 2.284 -3.332 6.086 303 2HD LYS 4 2HD LYS 4 0.691 -4.062 6.066 304 1HE LYS 4 1HE LYS 4 0.846 -4.696 3.822 305 2HE LYS 4 2HE LYS 4 1.902 -3.362 3.401 306 1HZ LYS 4 1HZ LYS 4 3.560 -4.559 4.895 307 2HZ LYS 4 2HZ LYS 4 2.598 -5.867 4.722 308 3HZ LYS 4 3HZ LYS 4 3.281 -5.177 3.409 309 H ASP 5 H ASP 5 4.595 0.474 5.132 310 HA ASP 5 HA ASP 5 3.775 3.077 5.141 311 1HB ASP 5 1HB ASP 5 6.413 1.647 5.235 312 2HB ASP 5 2HB ASP 5 6.480 3.366 4.899 313 H GLN 6 H GLN 6 5.628 1.160 2.691 314 HA GLN 6 HA GLN 6 6.359 3.269 1.082 315 1HB GLN 6 1HB GLN 6 6.224 0.322 0.879 316 2HB GLN 6 2HB GLN 6 6.052 1.123 -0.670 317 1HG GLN 6 1HG GLN 6 8.433 0.688 -0.215 318 2HG GLN 6 2HG GLN 6 8.141 2.416 -0.252 319 1HE2 GLN 6 1HE2 GLN 6 9.810 0.148 1.280 320 2HE2 GLN 6 2HE2 GLN 6 9.937 0.792 2.883 321 H ILE 7 H ILE 7 3.259 1.685 1.545 322 HA ILE 7 HA ILE 7 2.211 2.506 -1.001 323 HB ILE 7 HB ILE 7 0.901 1.306 1.442 324 1HG1 ILE 7 1HG1 ILE 7 2.418 -0.293 0.625 325 2HG1 ILE 7 2HG1 ILE 7 0.864 -0.751 -0.044 326 1HG2 ILE 7 1HG2 ILE 7 -1.058 0.982 0.185 327 2HG2 ILE 7 2HG2 ILE 7 -0.583 2.670 -0.122 328 3HG2 ILE 7 3HG2 ILE 7 -0.257 1.417 -1.343 329 1HD1 ILE 7 1HD1 ILE 7 3.202 0.576 -1.447 330 2HD1 ILE 7 2HD1 ILE 7 2.317 -0.899 -1.904 331 3HD1 ILE 7 3HD1 ILE 7 1.557 0.697 -2.116 332 H ILE 8 H ILE 8 2.457 3.752 2.303 333 HA ILE 8 HA ILE 8 0.355 5.595 2.159 334 HB ILE 8 HB ILE 8 2.916 5.735 3.754 335 1HG1 ILE 8 1HG1 ILE 8 1.947 3.616 4.209 336 2HG1 ILE 8 2HG1 ILE 8 1.531 4.664 5.551 337 1HG2 ILE 8 1HG2 ILE 8 0.230 7.092 4.091 338 2HG2 ILE 8 2HG2 ILE 8 1.492 7.038 5.345 339 3HG2 ILE 8 3HG2 ILE 8 1.810 7.856 3.796 340 1HD1 ILE 8 1HD1 ILE 8 -0.708 5.096 4.506 341 2HD1 ILE 8 2HD1 ILE 8 -0.283 3.971 3.194 342 3HD1 ILE 8 3HD1 ILE 8 -0.444 3.372 4.863 343 H GLU 9 H GLU 9 3.883 5.863 1.389 344 HA GLU 9 HA GLU 9 3.652 8.572 0.693 345 1HB GLU 9 1HB GLU 9 5.775 6.445 0.295 346 2HB GLU 9 2HB GLU 9 5.963 8.028 -0.433 347 1HG GLU 9 1HG GLU 9 5.218 7.895 2.489 348 2HG GLU 9 2HG GLU 9 6.867 7.500 2.044 349 H ALA 10 H ALA 10 2.790 5.623 -0.896 350 HA ALA 10 HA ALA 10 3.258 6.524 -3.567 351 1HB ALA 10 1HB ALA 10 1.779 4.203 -2.291 352 2HB ALA 10 2HB ALA 10 1.783 4.473 -4.050 353 3HB ALA 10 3HB ALA 10 3.314 4.177 -3.191 354 H VAL 11 H VAL 11 0.433 6.286 -1.322 355 HA VAL 11 HA VAL 11 -1.428 7.180 -3.245 356 HB VAL 11 HB VAL 11 -1.387 6.874 -0.256 357 1HG1 VAL 11 1HG1 VAL 11 -3.805 7.454 -0.233 358 2HG1 VAL 11 2HG1 VAL 11 -2.760 8.839 -0.632 359 3HG1 VAL 11 3HG1 VAL 11 -3.662 8.005 -1.920 360 1HG2 VAL 11 1HG2 VAL 11 -1.633 4.797 -1.328 361 2HG2 VAL 11 2HG2 VAL 11 -3.295 5.267 -0.899 362 3HG2 VAL 11 3HG2 VAL 11 -2.719 5.462 -2.572 363 H ALA 12 H ALA 12 0.987 8.760 -1.265 364 HA ALA 12 HA ALA 12 -0.368 11.327 -1.479 365 1HB ALA 12 1HB ALA 12 2.076 11.768 -0.277 366 2HB ALA 12 2HB ALA 12 0.565 11.392 0.586 367 3HB ALA 12 3HB ALA 12 1.720 10.092 0.207 368 H ALA 13 H ALA 13 1.527 9.350 -3.419 369 HA ALA 13 HA ALA 13 3.137 11.545 -4.471 370 1HB ALA 13 1HB ALA 13 3.193 8.539 -4.609 371 2HB ALA 13 2HB ALA 13 3.968 9.480 -5.905 372 3HB ALA 13 3HB ALA 13 4.501 9.681 -4.219 373 H MET 14 H MET 14 0.237 9.644 -5.052 374 HA MET 14 HA MET 14 0.192 10.576 -7.805 375 1HB MET 14 1HB MET 14 -1.437 8.483 -6.263 376 2HB MET 14 2HB MET 14 -1.793 8.924 -7.921 377 1HG MET 14 1HG MET 14 -0.118 7.602 -8.714 378 2HG MET 14 2HG MET 14 1.057 8.346 -7.647 379 1HE MET 14 1HE MET 14 0.693 4.701 -8.194 380 2HE MET 14 2HE MET 14 1.868 6.038 -8.175 381 3HE MET 14 3HE MET 14 1.856 4.844 -6.855 382 H SER 15 H SER 15 -2.267 11.011 -8.561 383 HA SER 15 HA SER 15 -3.038 13.227 -6.935 384 1HB SER 15 1HB SER 15 -4.898 13.167 -8.939 385 2HB SER 15 2HB SER 15 -3.327 13.929 -9.087 386 HG SER 15 HG SER 15 -3.566 12.545 -10.862 387 H VAL 16 H VAL 16 -5.421 13.591 -6.386 388 HA VAL 16 HA VAL 16 -6.333 11.531 -4.785 389 HB VAL 16 HB VAL 16 -7.764 13.912 -5.977 390 1HG1 VAL 16 1HG1 VAL 16 -9.616 12.849 -5.226 391 2HG1 VAL 16 2HG1 VAL 16 -8.692 11.766 -4.157 392 3HG1 VAL 16 3HG1 VAL 16 -9.059 13.429 -3.638 393 1HG2 VAL 16 1HG2 VAL 16 -7.358 14.853 -3.660 394 2HG2 VAL 16 2HG2 VAL 16 -6.258 13.482 -3.383 395 3HG2 VAL 16 3HG2 VAL 16 -5.910 14.655 -4.676 396 H MET 17 H MET 17 -7.232 12.477 -8.149 397 HA MET 17 HA MET 17 -9.404 10.868 -8.440 398 1HB MET 17 1HB MET 17 -7.271 12.008 -10.244 399 2HB MET 17 2HB MET 17 -8.279 10.756 -10.943 400 1HG MET 17 1HG MET 17 -10.104 12.455 -9.598 401 2HG MET 17 2HG MET 17 -8.951 13.551 -10.333 402 1HE MET 17 1HE MET 17 -11.766 13.887 -12.579 403 2HE MET 17 2HE MET 17 -12.477 12.494 -11.729 404 3HE MET 17 3HE MET 17 -11.592 13.738 -10.813 405 H ASP 18 H ASP 18 -5.911 10.051 -8.905 406 HA ASP 18 HA ASP 18 -6.351 7.531 -9.941 407 1HB ASP 18 1HB ASP 18 -4.170 8.940 -9.780 408 2HB ASP 18 2HB ASP 18 -4.007 8.305 -8.155 409 H VAL 19 H VAL 19 -6.386 8.866 -6.647 410 HA VAL 19 HA VAL 19 -6.123 6.308 -5.367 411 HB VAL 19 HB VAL 19 -6.812 9.070 -4.345 412 1HG1 VAL 19 1HG1 VAL 19 -7.698 7.663 -2.706 413 2HG1 VAL 19 2HG1 VAL 19 -6.428 6.436 -2.928 414 3HG1 VAL 19 3HG1 VAL 19 -6.047 7.975 -2.119 415 1HG2 VAL 19 1HG2 VAL 19 -4.494 9.084 -3.512 416 2HG2 VAL 19 2HG2 VAL 19 -4.215 7.497 -4.268 417 3HG2 VAL 19 3HG2 VAL 19 -4.556 8.918 -5.283 418 H VAL 20 H VAL 20 -8.689 8.435 -6.571 419 HA VAL 20 HA VAL 20 -10.778 7.273 -5.063 420 HB VAL 20 HB VAL 20 -10.606 8.931 -7.570 421 1HG1 VAL 20 1HG1 VAL 20 -12.549 7.469 -7.845 422 2HG1 VAL 20 2HG1 VAL 20 -13.140 7.927 -6.229 423 3HG1 VAL 20 3HG1 VAL 20 -13.061 9.144 -7.526 424 1HG2 VAL 20 1HG2 VAL 20 -11.234 9.408 -4.675 425 2HG2 VAL 20 2HG2 VAL 20 -10.213 10.345 -5.792 426 3HG2 VAL 20 3HG2 VAL 20 -11.986 10.450 -5.907 427 H GLU 21 H GLU 21 -9.120 6.485 -8.125 428 HA GLU 21 HA GLU 21 -11.044 4.650 -8.991 429 1HB GLU 21 1HB GLU 21 -8.215 5.344 -9.698 430 2HB GLU 21 2HB GLU 21 -8.781 3.766 -10.210 431 1HG GLU 21 1HG GLU 21 -10.572 6.145 -10.709 432 2HG GLU 21 2HG GLU 21 -9.157 5.952 -11.725 433 H LEU 22 H LEU 22 -7.948 4.318 -7.138 434 HA LEU 22 HA LEU 22 -7.943 1.576 -6.877 435 1HB LEU 22 1HB LEU 22 -6.216 3.359 -6.219 436 2HB LEU 22 2HB LEU 22 -7.090 3.474 -4.704 437 HG LEU 22 HG LEU 22 -6.718 0.993 -4.397 438 1HD1 LEU 22 1HD1 LEU 22 -4.604 0.224 -5.750 439 2HD1 LEU 22 2HD1 LEU 22 -6.237 0.058 -6.440 440 3HD1 LEU 22 3HD1 LEU 22 -5.192 1.409 -6.942 441 1HD2 LEU 22 1HD2 LEU 22 -5.273 3.033 -3.539 442 2HD2 LEU 22 2HD2 LEU 22 -4.765 1.349 -3.264 443 3HD2 LEU 22 3HD2 LEU 22 -4.035 2.295 -4.584 444 H ILE 23 H ILE 23 -9.390 4.038 -4.626 445 HA ILE 23 HA ILE 23 -10.423 2.225 -2.831 446 HB ILE 23 HB ILE 23 -11.243 5.001 -3.648 447 1HG1 ILE 23 1HG1 ILE 23 -10.048 4.106 -1.028 448 2HG1 ILE 23 2HG1 ILE 23 -9.035 4.411 -2.425 449 1HG2 ILE 23 1HG2 ILE 23 -13.287 4.231 -2.855 450 2HG2 ILE 23 2HG2 ILE 23 -12.535 3.167 -1.643 451 3HG2 ILE 23 3HG2 ILE 23 -12.528 4.931 -1.405 452 1HD1 ILE 23 1HD1 ILE 23 -11.077 6.443 -1.436 453 2HD1 ILE 23 2HD1 ILE 23 -9.398 6.401 -0.846 454 3HD1 ILE 23 3HD1 ILE 23 -9.729 6.711 -2.567 455 H SER 24 H SER 24 -11.740 3.416 -5.953 456 HA SER 24 HA SER 24 -14.287 2.371 -5.554 457 1HB SER 24 1HB SER 24 -12.710 3.492 -7.816 458 2HB SER 24 2HB SER 24 -13.995 2.402 -8.297 459 HG SER 24 HG SER 24 -15.373 3.765 -6.745 460 H ALA 25 H ALA 25 -11.237 1.038 -6.882 461 HA ALA 25 HA ALA 25 -12.317 -1.216 -8.122 462 1HB ALA 25 1HB ALA 25 -9.781 -1.942 -7.240 463 2HB ALA 25 2HB ALA 25 -10.154 -1.093 -8.760 464 3HB ALA 25 3HB ALA 25 -9.695 -0.166 -7.311 465 H MET 26 H MET 26 -10.560 -1.061 -4.937 466 HA MET 26 HA MET 26 -11.149 -3.579 -4.149 467 1HB MET 26 1HB MET 26 -10.851 -0.982 -2.551 468 2HB MET 26 2HB MET 26 -10.925 -2.548 -1.768 469 1HG MET 26 1HG MET 26 -8.947 -3.293 -3.171 470 2HG MET 26 2HG MET 26 -8.843 -1.671 -3.828 471 1HE MET 26 1HE MET 26 -5.871 -1.250 -1.523 472 2HE MET 26 2HE MET 26 -6.331 -2.313 -2.876 473 3HE MET 26 3HE MET 26 -6.687 -0.570 -2.952 474 H GLU 27 H GLU 27 -13.173 -0.622 -3.868 475 HA GLU 27 HA GLU 27 -15.022 -1.547 -2.093 476 1HB GLU 27 1HB GLU 27 -14.960 0.506 -4.257 477 2HB GLU 27 2HB GLU 27 -16.562 0.005 -3.751 478 1HG GLU 27 1HG GLU 27 -15.716 0.371 -1.311 479 2HG GLU 27 2HG GLU 27 -14.358 1.211 -2.033 480 H GLU 28 H GLU 28 -14.880 -1.972 -5.680 481 HA GLU 28 HA GLU 28 -17.358 -3.373 -5.671 482 1HB GLU 28 1HB GLU 28 -16.269 -1.889 -7.556 483 2HB GLU 28 2HB GLU 28 -15.399 -3.349 -7.982 484 1HG GLU 28 1HG GLU 28 -18.226 -3.957 -7.554 485 2HG GLU 28 2HG GLU 28 -18.061 -2.653 -8.713 486 H LYS 29 H LYS 29 -13.852 -4.168 -6.007 487 HA LYS 29 HA LYS 29 -14.122 -6.824 -6.696 488 1HB LYS 29 1HB LYS 29 -12.016 -5.662 -6.852 489 2HB LYS 29 2HB LYS 29 -11.972 -5.382 -5.123 490 1HG LYS 29 1HG LYS 29 -10.616 -7.270 -5.249 491 2HG LYS 29 2HG LYS 29 -12.168 -8.039 -4.986 492 1HD LYS 29 1HD LYS 29 -11.977 -9.131 -6.960 493 2HD LYS 29 2HD LYS 29 -11.929 -7.602 -7.814 494 1HE LYS 29 1HE LYS 29 -9.359 -7.714 -6.798 495 2HE LYS 29 2HE LYS 29 -9.690 -9.416 -7.050 496 1HZ LYS 29 1HZ LYS 29 -10.091 -9.045 -9.296 497 2HZ LYS 29 2HZ LYS 29 -10.235 -7.427 -9.129 498 3HZ LYS 29 3HZ LYS 29 -8.772 -8.136 -8.979 499 H PHE 30 H PHE 30 -13.335 -5.616 -3.356 500 HA PHE 30 HA PHE 30 -14.099 -8.129 -2.261 501 1HB PHE 30 1HB PHE 30 -13.488 -5.353 -1.078 502 2HB PHE 30 2HB PHE 30 -13.614 -6.810 -0.112 503 HD1 PHE 30 1HD PHE 30 -11.492 -4.832 -2.254 504 HD2 PHE 30 2HD PHE 30 -11.923 -8.632 -0.415 505 HE1 PHE 30 1HE PHE 30 -9.050 -5.285 -2.618 506 HE2 PHE 30 2HE PHE 30 -9.481 -9.085 -0.779 507 HZ PHE 30 HZ PHE 30 -8.074 -7.406 -1.876 508 H GLY 31 H GLY 31 -15.918 -5.537 -3.416 509 1HA GLY 31 1HA GLY 31 -18.055 -4.898 -3.151 510 2HA GLY 31 2HA GLY 31 -18.351 -6.497 -2.498 511 H VAL 32 H VAL 32 -16.587 -3.499 -1.410 512 HA VAL 32 HA VAL 32 -18.182 -3.642 1.050 513 HB VAL 32 HB VAL 32 -15.227 -3.046 0.796 514 1HG1 VAL 32 1HG1 VAL 32 -17.154 -2.836 3.111 515 2HG1 VAL 32 2HG1 VAL 32 -15.415 -3.111 3.372 516 3HG1 VAL 32 3HG1 VAL 32 -15.967 -1.645 2.525 517 1HG2 VAL 32 1HG2 VAL 32 -14.818 -5.095 1.937 518 2HG2 VAL 32 2HG2 VAL 32 -16.547 -5.326 2.294 519 3HG2 VAL 32 3HG2 VAL 32 -15.956 -5.471 0.621 520 H SER 33 H SER 33 -19.479 -2.167 -0.499 521 HA SER 33 HA SER 33 -18.273 0.471 -0.587 522 1HB SER 33 1HB SER 33 -19.159 -0.344 -2.719 523 2HB SER 33 2HB SER 33 -20.711 -0.702 -1.991 524 HG SER 33 HG SER 33 -21.302 1.359 -2.158 525 H ALA 34 H ALA 34 -18.613 0.488 1.875 526 HA ALA 34 HA ALA 34 -20.965 1.971 2.443 527 1HB ALA 34 1HB ALA 34 -21.486 0.170 4.366 528 2HB ALA 34 2HB ALA 34 -22.241 0.082 2.757 529 3HB ALA 34 3HB ALA 34 -20.833 -0.939 3.137 530 H ALA 35 H ALA 35 -19.264 3.476 2.983 531 HA ALA 35 HA ALA 35 -18.489 3.299 5.701 532 1HB ALA 35 1HB ALA 35 -16.557 2.167 5.431 533 2HB ALA 35 2HB ALA 35 -16.652 2.280 3.657 534 3HB ALA 35 3HB ALA 35 -15.944 3.615 4.597 535 H ALA 36 H ALA 36 -19.904 5.238 5.326 536 HA ALA 36 HA ALA 36 -18.362 7.561 5.203 537 1HB ALA 36 1HB ALA 36 -20.156 7.325 2.780 538 2HB ALA 36 2HB ALA 36 -18.832 8.474 3.090 539 3HB ALA 36 3HB ALA 36 -18.465 6.773 2.717 540 H ALA 37 H ALA 37 -19.754 7.181 7.242 541 HA ALA 37 HA ALA 37 -21.458 7.796 8.512 542 1HB ALA 37 1HB ALA 37 -21.436 10.009 7.830 543 2HB ALA 37 2HB ALA 37 -21.786 9.603 6.132 544 3HB ALA 37 3HB ALA 37 -23.086 9.547 7.348 Start of MODEL 20 1 1H SER 1 H SER 1 4.593 -2.965 -15.705 2 HA SER 1 HA SER 1 2.427 -2.842 -15.291 3 1HB SER 1 1HB SER 1 3.232 -5.089 -13.390 4 2HB SER 1 2HB SER 1 1.608 -4.829 -13.994 5 HG SER 1 HG SER 1 2.735 -6.426 -15.256 6 H ILE 2 H ILE 2 2.722 -0.650 -14.185 7 HA ILE 2 HA ILE 2 2.199 -0.849 -11.307 8 HB ILE 2 HB ILE 2 3.044 1.593 -12.859 9 1HG1 ILE 2 1HG1 ILE 2 4.782 -0.483 -11.496 10 2HG1 ILE 2 2HG1 ILE 2 4.755 -0.088 -13.203 11 1HG2 ILE 2 1HG2 ILE 2 3.440 2.607 -10.807 12 2HG2 ILE 2 2HG2 ILE 2 1.935 1.700 -10.523 13 3HG2 ILE 2 3HG2 ILE 2 3.486 1.058 -9.931 14 1HD1 ILE 2 1HD1 ILE 2 6.629 1.103 -12.328 15 2HD1 ILE 2 2HD1 ILE 2 5.354 2.334 -12.501 16 3HD1 ILE 2 3HD1 ILE 2 5.717 1.648 -10.899 17 H THR 3 H THR 3 0.003 -1.668 -12.361 18 HA THR 3 HA THR 3 -1.653 0.657 -13.041 19 HB THR 3 HB THR 3 -3.242 -1.164 -13.807 20 HG1 THR 3 1HG THR 3 -1.103 -3.027 -13.643 21 1HG2 THR 3 1HG2 THR 3 -1.616 -0.342 -15.494 22 2HG2 THR 3 2HG2 THR 3 -0.366 -1.423 -14.834 23 3HG2 THR 3 3HG2 THR 3 -1.797 -2.106 -15.644 24 H LYS 4 H LYS 4 -3.848 0.785 -12.086 25 HA LYS 4 HA LYS 4 -3.648 0.790 -9.298 26 1HB LYS 4 1HB LYS 4 -5.680 1.438 -11.346 27 2HB LYS 4 2HB LYS 4 -6.333 0.971 -9.788 28 1HG LYS 4 1HG LYS 4 -6.016 3.303 -9.551 29 2HG LYS 4 2HG LYS 4 -4.601 2.634 -8.763 30 1HD LYS 4 1HD LYS 4 -3.596 4.232 -10.135 31 2HD LYS 4 2HD LYS 4 -3.504 2.825 -11.176 32 1HE LYS 4 1HE LYS 4 -5.710 3.543 -12.231 33 2HE LYS 4 2HE LYS 4 -5.635 5.012 -11.277 34 1HZ LYS 4 1HZ LYS 4 -3.621 4.141 -13.232 35 2HZ LYS 4 2HZ LYS 4 -4.696 5.354 -13.434 36 3HZ LYS 4 3HZ LYS 4 -3.510 5.490 -12.319 37 H ASP 5 H ASP 5 -4.990 -1.559 -11.650 38 HA ASP 5 HA ASP 5 -6.409 -3.085 -9.874 39 1HB ASP 5 1HB ASP 5 -4.960 -3.658 -12.471 40 2HB ASP 5 2HB ASP 5 -5.673 -4.993 -11.587 41 H GLN 6 H GLN 6 -2.934 -3.153 -10.885 42 HA GLN 6 HA GLN 6 -2.237 -5.516 -9.685 43 1HB GLN 6 1HB GLN 6 -0.744 -3.014 -10.465 44 2HB GLN 6 2HB GLN 6 0.101 -4.229 -9.527 45 1HG GLN 6 1HG GLN 6 -1.430 -4.910 -12.075 46 2HG GLN 6 2HG GLN 6 0.259 -4.444 -12.092 47 1HE2 GLN 6 1HE2 GLN 6 -1.451 -6.993 -12.510 48 2HE2 GLN 6 2HE2 GLN 6 -0.604 -8.236 -11.651 49 H ILE 7 H ILE 7 -2.948 -2.362 -8.294 50 HA ILE 7 HA ILE 7 -1.548 -2.875 -5.845 51 HB ILE 7 HB ILE 7 -3.541 -0.740 -6.611 52 1HG1 ILE 7 1HG1 ILE 7 -1.606 -0.615 -8.038 53 2HG1 ILE 7 2HG1 ILE 7 -1.545 0.693 -6.874 54 1HG2 ILE 7 1HG2 ILE 7 -3.584 -0.772 -4.280 55 2HG2 ILE 7 2HG2 ILE 7 -1.852 -1.162 -4.154 56 3HG2 ILE 7 3HG2 ILE 7 -2.362 0.465 -4.665 57 1HD1 ILE 7 1HD1 ILE 7 -0.070 -0.874 -5.423 58 2HD1 ILE 7 2HD1 ILE 7 0.075 -1.879 -6.884 59 3HD1 ILE 7 3HD1 ILE 7 0.666 -0.200 -6.897 60 H ILE 8 H ILE 8 -4.818 -3.315 -7.184 61 HA ILE 8 HA ILE 8 -6.163 -3.738 -4.784 62 HB ILE 8 HB ILE 8 -6.636 -4.882 -7.539 63 1HG1 ILE 8 1HG1 ILE 8 -7.719 -2.401 -6.173 64 2HG1 ILE 8 2HG1 ILE 8 -6.598 -2.442 -7.519 65 1HG2 ILE 8 1HG2 ILE 8 -8.910 -5.316 -6.831 66 2HG2 ILE 8 2HG2 ILE 8 -7.771 -6.182 -5.772 67 3HG2 ILE 8 3HG2 ILE 8 -8.557 -4.689 -5.203 68 1HD1 ILE 8 1HD1 ILE 8 -9.542 -3.043 -7.475 69 2HD1 ILE 8 2HD1 ILE 8 -8.580 -2.172 -8.693 70 3HD1 ILE 8 3HD1 ILE 8 -8.533 -3.950 -8.627 71 H GLU 9 H GLU 9 -4.384 -6.021 -6.961 72 HA GLU 9 HA GLU 9 -5.001 -8.259 -5.422 73 1HB GLU 9 1HB GLU 9 -2.763 -7.705 -7.413 74 2HB GLU 9 2HB GLU 9 -3.033 -9.283 -6.702 75 1HG GLU 9 1HG GLU 9 -5.362 -9.302 -7.606 76 2HG GLU 9 2HG GLU 9 -5.111 -7.712 -8.300 77 H ALA 10 H ALA 10 -2.944 -5.583 -4.808 78 HA ALA 10 HA ALA 10 -0.927 -6.992 -3.355 79 1HB ALA 10 1HB ALA 10 -0.839 -4.678 -4.553 80 2HB ALA 10 2HB ALA 10 -1.601 -4.057 -3.069 81 3HB ALA 10 3HB ALA 10 -0.013 -4.858 -2.987 82 H VAL 11 H VAL 11 -3.932 -5.140 -2.579 83 HA VAL 11 HA VAL 11 -3.612 -5.402 0.216 84 HB VAL 11 HB VAL 11 -5.879 -4.687 -1.630 85 1HG1 VAL 11 1HG1 VAL 11 -6.891 -5.836 0.279 86 2HG1 VAL 11 2HG1 VAL 11 -5.982 -4.799 1.404 87 3HG1 VAL 11 3HG1 VAL 11 -7.225 -4.089 0.346 88 1HG2 VAL 11 1HG2 VAL 11 -5.612 -2.467 -0.540 89 2HG2 VAL 11 2HG2 VAL 11 -4.238 -3.116 0.385 90 3HG2 VAL 11 3HG2 VAL 11 -4.144 -3.008 -1.389 91 H ALA 12 H ALA 12 -4.760 -7.506 -2.360 92 HA ALA 12 HA ALA 12 -6.194 -9.213 -0.516 93 1HB ALA 12 1HB ALA 12 -5.545 -9.531 -3.475 94 2HB ALA 12 2HB ALA 12 -6.710 -10.498 -2.538 95 3HB ALA 12 3HB ALA 12 -7.014 -8.767 -2.822 96 H ALA 13 H ALA 13 -3.023 -8.566 -0.862 97 HA ALA 13 HA ALA 13 -2.165 -11.360 -0.966 98 1HB ALA 13 1HB ALA 13 -1.114 -9.539 -2.413 99 2HB ALA 13 2HB ALA 13 -0.454 -8.850 -0.911 100 3HB ALA 13 3HB ALA 13 0.018 -10.488 -1.421 101 H MET 14 H MET 14 -2.589 -8.549 1.151 102 HA MET 14 HA MET 14 -1.112 -9.921 3.236 103 1HB MET 14 1HB MET 14 -2.324 -7.107 3.048 104 2HB MET 14 2HB MET 14 -1.442 -7.692 4.445 105 1HG MET 14 1HG MET 14 0.499 -7.060 3.452 106 2HG MET 14 2HG MET 14 0.226 -8.255 2.199 107 1HE MET 14 1HE MET 14 -0.993 -4.547 3.263 108 2HE MET 14 2HE MET 14 0.759 -4.796 3.072 109 3HE MET 14 3HE MET 14 -0.125 -3.768 1.919 110 H SER 15 H SER 15 -2.173 -9.570 5.560 111 HA SER 15 HA SER 15 -4.667 -10.920 5.358 112 1HB SER 15 1HB SER 15 -4.334 -10.501 8.041 113 2HB SER 15 2HB SER 15 -3.612 -11.835 7.162 114 HG SER 15 HG SER 15 -1.647 -10.950 7.337 115 H VAL 16 H VAL 16 -6.523 -10.200 6.939 116 HA VAL 16 HA VAL 16 -7.411 -7.690 6.104 117 HB VAL 16 HB VAL 16 -8.289 -9.544 8.321 118 1HG1 VAL 16 1HG1 VAL 16 -9.612 -7.034 7.250 119 2HG1 VAL 16 2HG1 VAL 16 -10.465 -8.276 8.198 120 3HG1 VAL 16 3HG1 VAL 16 -9.110 -7.377 8.923 121 1HG2 VAL 16 1HG2 VAL 16 -8.447 -10.478 6.055 122 2HG2 VAL 16 2HG2 VAL 16 -10.061 -10.181 6.745 123 3HG2 VAL 16 3HG2 VAL 16 -9.392 -9.064 5.532 124 H MET 17 H MET 17 -5.951 -8.831 9.212 125 HA MET 17 HA MET 17 -6.210 -6.453 10.563 126 1HB MET 17 1HB MET 17 -4.407 -8.875 10.688 127 2HB MET 17 2HB MET 17 -3.909 -7.480 11.625 128 1HG MET 17 1HG MET 17 -6.148 -7.437 12.752 129 2HG MET 17 2HG MET 17 -6.645 -8.832 11.815 130 1HE MET 17 1HE MET 17 -6.483 -8.421 15.054 131 2HE MET 17 2HE MET 17 -7.205 -9.860 14.295 132 3HE MET 17 3HE MET 17 -5.963 -10.048 15.555 133 H ASP 18 H ASP 18 -3.527 -7.660 8.452 134 HA ASP 18 HA ASP 18 -1.789 -5.596 8.910 135 1HB ASP 18 1HB ASP 18 -1.317 -7.719 7.635 136 2HB ASP 18 2HB ASP 18 -2.268 -7.106 6.297 137 H VAL 19 H VAL 19 -4.673 -5.899 6.811 138 HA VAL 19 HA VAL 19 -4.067 -3.575 5.259 139 HB VAL 19 HB VAL 19 -6.422 -5.433 5.530 140 1HG1 VAL 19 1HG1 VAL 19 -7.453 -3.323 5.090 141 2HG1 VAL 19 2HG1 VAL 19 -6.223 -2.901 3.874 142 3HG1 VAL 19 3HG1 VAL 19 -7.389 -4.204 3.545 143 1HG2 VAL 19 1HG2 VAL 19 -4.349 -6.167 4.315 144 2HG2 VAL 19 2HG2 VAL 19 -5.824 -6.156 3.319 145 3HG2 VAL 19 3HG2 VAL 19 -4.629 -4.847 3.154 146 H VAL 20 H VAL 20 -5.834 -4.359 8.243 147 HA VAL 20 HA VAL 20 -7.357 -2.014 8.385 148 HB VAL 20 HB VAL 20 -6.362 -4.074 10.321 149 1HG1 VAL 20 1HG1 VAL 20 -7.766 -2.922 12.086 150 2HG1 VAL 20 2HG1 VAL 20 -6.232 -2.116 11.678 151 3HG1 VAL 20 3HG1 VAL 20 -7.768 -1.485 11.036 152 1HG2 VAL 20 1HG2 VAL 20 -8.692 -4.639 10.519 153 2HG2 VAL 20 2HG2 VAL 20 -9.176 -3.187 9.611 154 3HG2 VAL 20 3HG2 VAL 20 -8.301 -4.501 8.788 155 H GLU 21 H GLU 21 -3.998 -2.835 9.380 156 HA GLU 21 HA GLU 21 -3.556 -0.466 10.764 157 1HB GLU 21 1HB GLU 21 -1.735 -2.500 9.440 158 2HB GLU 21 2HB GLU 21 -1.070 -1.070 10.205 159 1HG GLU 21 1HG GLU 21 -2.984 -2.968 11.636 160 2HG GLU 21 2HG GLU 21 -1.243 -3.162 11.688 161 H LEU 22 H LEU 22 -2.837 -1.449 7.346 162 HA LEU 22 HA LEU 22 -1.660 0.915 6.537 163 1HB LEU 22 1HB LEU 22 -1.676 -1.205 5.294 164 2HB LEU 22 2HB LEU 22 -3.382 -0.995 4.951 165 HG LEU 22 HG LEU 22 -2.659 1.244 3.840 166 1HD1 LEU 22 1HD1 LEU 22 -0.028 -0.205 3.546 167 2HD1 LEU 22 2HD1 LEU 22 -0.446 1.460 3.076 168 3HD1 LEU 22 3HD1 LEU 22 -0.307 1.030 4.797 169 1HD2 LEU 22 1HD2 LEU 22 -2.001 -1.432 2.579 170 2HD2 LEU 22 2HD2 LEU 22 -3.597 -0.645 2.624 171 3HD2 LEU 22 3HD2 LEU 22 -2.264 0.096 1.706 172 H ILE 23 H ILE 23 -5.128 -0.073 6.043 173 HA ILE 23 HA ILE 23 -6.018 2.291 5.036 174 HB ILE 23 HB ILE 23 -7.347 0.203 6.744 175 1HG1 ILE 23 1HG1 ILE 23 -6.588 -0.462 4.498 176 2HG1 ILE 23 2HG1 ILE 23 -8.332 -0.520 4.659 177 1HG2 ILE 23 1HG2 ILE 23 -8.734 1.988 7.244 178 2HG2 ILE 23 2HG2 ILE 23 -8.491 2.762 5.659 179 3HG2 ILE 23 3HG2 ILE 23 -9.501 1.302 5.791 180 1HD1 ILE 23 1HD1 ILE 23 -7.994 0.552 2.570 181 2HD1 ILE 23 2HD1 ILE 23 -8.319 1.902 3.684 182 3HD1 ILE 23 3HD1 ILE 23 -6.648 1.536 3.193 183 H SER 24 H SER 24 -5.416 1.402 8.461 184 HA SER 24 HA SER 24 -6.716 3.632 9.511 185 1HB SER 24 1HB SER 24 -4.732 1.607 10.536 186 2HB SER 24 2HB SER 24 -5.026 3.038 11.504 187 HG SER 24 HG SER 24 -6.878 0.976 10.731 188 H ALA 25 H ALA 25 -3.332 2.966 8.484 189 HA ALA 25 HA ALA 25 -2.192 5.297 9.526 190 1HB ALA 25 1HB ALA 25 -1.503 3.346 7.321 191 2HB ALA 25 2HB ALA 25 -0.503 4.792 7.602 192 3HB ALA 25 3HB ALA 25 -0.709 3.587 8.896 193 H MET 26 H MET 26 -3.364 4.528 6.168 194 HA MET 26 HA MET 26 -2.928 6.999 5.111 195 1HB MET 26 1HB MET 26 -5.077 4.882 4.594 196 2HB MET 26 2HB MET 26 -4.932 6.301 3.576 197 1HG MET 26 1HG MET 26 -2.597 5.696 3.001 198 2HG MET 26 2HG MET 26 -2.653 4.330 4.097 199 1HE MET 26 1HE MET 26 -4.948 4.804 0.152 200 2HE MET 26 2HE MET 26 -5.655 5.530 1.615 201 3HE MET 26 3HE MET 26 -4.051 6.053 1.048 202 H GLU 27 H GLU 27 -5.830 5.766 6.882 203 HA GLU 27 HA GLU 27 -7.549 7.778 6.427 204 1HB GLU 27 1HB GLU 27 -7.045 5.994 8.804 205 2HB GLU 27 2HB GLU 27 -8.224 7.280 8.968 206 1HG GLU 27 1HG GLU 27 -8.359 5.511 6.521 207 2HG GLU 27 2HG GLU 27 -8.928 4.866 8.048 208 H GLU 28 H GLU 28 -4.925 7.683 8.922 209 HA GLU 28 HA GLU 28 -5.656 10.252 9.884 210 1HB GLU 28 1HB GLU 28 -4.695 8.551 11.386 211 2HB GLU 28 2HB GLU 28 -3.226 8.492 10.433 212 1HG GLU 28 1HG GLU 28 -2.667 10.800 11.009 213 2HG GLU 28 2HG GLU 28 -4.231 11.049 11.761 214 H LYS 29 H LYS 29 -2.988 8.855 7.879 215 HA LYS 29 HA LYS 29 -1.429 11.107 7.661 216 1HB LYS 29 1HB LYS 29 -0.667 8.945 6.926 217 2HB LYS 29 2HB LYS 29 -1.929 8.840 5.715 218 1HG LYS 29 1HG LYS 29 0.035 9.522 4.524 219 2HG LYS 29 2HG LYS 29 -0.950 10.965 4.656 220 1HD LYS 29 1HD LYS 29 0.391 11.803 6.519 221 2HD LYS 29 2HD LYS 29 1.260 10.287 6.648 222 1HE LYS 29 1HE LYS 29 2.246 10.632 4.390 223 2HE LYS 29 2HE LYS 29 1.332 12.115 4.199 224 1HZ LYS 29 1HZ LYS 29 3.312 11.638 6.318 225 2HZ LYS 29 2HZ LYS 29 3.580 12.506 4.961 226 3HZ LYS 29 3HZ LYS 29 2.499 13.032 6.067 227 H PHE 30 H PHE 30 -3.836 9.985 5.173 228 HA PHE 30 HA PHE 30 -3.804 12.543 3.936 229 1HB PHE 30 1HB PHE 30 -5.569 10.030 3.768 230 2HB PHE 30 2HB PHE 30 -5.767 11.386 2.675 231 HD1 PHE 30 1HD PHE 30 -4.034 11.898 1.005 232 HD2 PHE 30 2HD PHE 30 -3.728 8.499 3.527 233 HE1 PHE 30 1HE PHE 30 -2.292 10.924 -0.518 234 HE2 PHE 30 2HE PHE 30 -1.986 7.526 2.004 235 HZ PHE 30 HZ PHE 30 -1.289 8.750 0.000 236 H GLY 31 H GLY 31 -5.163 11.522 6.827 237 1HA GLY 31 1HA GLY 31 -6.892 12.224 8.101 238 2HA GLY 31 2HA GLY 31 -6.503 13.794 7.427 239 H VAL 32 H VAL 32 -8.021 10.766 6.087 240 HA VAL 32 HA VAL 32 -10.201 12.483 5.118 241 HB VAL 32 HB VAL 32 -8.893 11.555 3.323 242 1HG1 VAL 32 1HG1 VAL 32 -9.300 8.930 4.767 243 2HG1 VAL 32 2HG1 VAL 32 -8.894 9.001 3.035 244 3HG1 VAL 32 3HG1 VAL 32 -7.781 9.692 4.239 245 1HG2 VAL 32 1HG2 VAL 32 -11.527 11.548 3.369 246 2HG2 VAL 32 2HG2 VAL 32 -10.642 10.789 2.023 247 3HG2 VAL 32 3HG2 VAL 32 -11.317 9.781 3.327 248 H SER 33 H SER 33 -10.596 11.985 7.669 249 HA SER 33 HA SER 33 -12.455 9.748 7.610 250 1HB SER 33 1HB SER 33 -10.416 9.082 8.878 251 2HB SER 33 2HB SER 33 -10.606 10.473 9.927 252 HG SER 33 HG SER 33 -12.598 9.609 10.706 253 H ALA 34 H ALA 34 -14.283 11.099 7.357 254 HA ALA 34 HA ALA 34 -15.140 12.418 9.739 255 1HB ALA 34 1HB ALA 34 -13.713 14.186 8.789 256 2HB ALA 34 2HB ALA 34 -14.585 14.072 7.242 257 3HB ALA 34 3HB ALA 34 -15.430 14.647 8.699 258 H ALA 35 H ALA 35 -16.366 10.296 8.959 259 HA ALA 35 HA ALA 35 -18.901 11.143 8.146 260 1HB ALA 35 1HB ALA 35 -18.928 9.791 5.961 261 2HB ALA 35 2HB ALA 35 -18.107 11.370 5.915 262 3HB ALA 35 3HB ALA 35 -17.151 9.872 6.019 263 H ALA 36 H ALA 36 -18.923 9.973 10.278 264 HA ALA 36 HA ALA 36 -19.412 8.199 11.506 265 1HB ALA 36 1HB ALA 36 -20.777 6.494 10.520 266 2HB ALA 36 2HB ALA 36 -21.136 7.998 9.639 267 3HB ALA 36 3HB ALA 36 -20.076 6.770 8.908 268 H ALA 37 H ALA 37 -18.891 5.692 11.793 269 HA ALA 37 HA ALA 37 -16.690 4.664 10.367 270 1HB ALA 37 1HB ALA 37 -15.282 6.245 11.412 271 2HB ALA 37 2HB ALA 37 -16.157 6.137 12.958 272 3HB ALA 37 3HB ALA 37 -15.119 4.792 12.427 273 1H SER 1 H SER 1 11.850 -3.656 0.014 274 HA SER 1 HA SER 1 11.423 -3.842 2.861 275 1HB SER 1 1HB SER 1 13.292 -2.220 2.599 276 2HB SER 1 2HB SER 1 12.326 -1.271 1.487 277 HG SER 1 HG SER 1 12.322 -0.477 3.734 278 H ILE 2 H ILE 2 9.374 -4.707 1.831 279 HA ILE 2 HA ILE 2 7.747 -2.618 0.604 280 HB ILE 2 HB ILE 2 7.116 -5.550 0.912 281 1HG1 ILE 2 1HG1 ILE 2 8.560 -4.152 -1.358 282 2HG1 ILE 2 2HG1 ILE 2 9.238 -5.350 -0.273 283 1HG2 ILE 2 1HG2 ILE 2 6.073 -3.569 -1.119 284 2HG2 ILE 2 2HG2 ILE 2 5.473 -5.206 -0.760 285 3HG2 ILE 2 3HG2 ILE 2 5.264 -3.900 0.431 286 1HD1 ILE 2 1HD1 ILE 2 7.058 -5.747 -2.356 287 2HD1 ILE 2 2HD1 ILE 2 8.638 -6.557 -2.249 288 3HD1 ILE 2 3HD1 ILE 2 7.361 -6.938 -1.069 289 H THR 3 H THR 3 8.098 -1.735 3.030 290 HA THR 3 HA THR 3 6.381 -2.954 4.969 291 HB THR 3 HB THR 3 7.172 -1.136 6.364 292 HG1 THR 3 1HG THR 3 7.840 -0.008 3.735 293 1HG2 THR 3 1HG2 THR 3 9.498 -1.157 4.452 294 2HG2 THR 3 2HG2 THR 3 9.487 -1.386 6.217 295 3HG2 THR 3 3HG2 THR 3 9.013 -2.724 5.142 296 H LYS 4 H LYS 4 4.545 -1.819 6.014 297 HA LYS 4 HA LYS 4 2.612 -1.145 4.115 298 1HB LYS 4 1HB LYS 4 2.823 -1.281 7.065 299 2HB LYS 4 2HB LYS 4 1.603 -0.179 6.459 300 1HG LYS 4 1HG LYS 4 0.517 -1.931 5.181 301 2HG LYS 4 2HG LYS 4 1.858 -3.033 5.421 302 1HD LYS 4 1HD LYS 4 0.138 -1.939 7.696 303 2HD LYS 4 2HD LYS 4 -0.156 -3.478 6.911 304 1HE LYS 4 1HE LYS 4 2.334 -4.036 7.494 305 2HE LYS 4 2HE LYS 4 2.256 -2.662 8.579 306 1HZ LYS 4 1HZ LYS 4 0.585 -5.070 8.658 307 2HZ LYS 4 2HZ LYS 4 1.643 -4.553 9.790 308 3HZ LYS 4 3HZ LYS 4 0.251 -3.737 9.540 309 H ASP 5 H ASP 5 4.867 0.810 6.100 310 HA ASP 5 HA ASP 5 3.665 3.238 5.770 311 1HB ASP 5 1HB ASP 5 6.541 2.344 6.099 312 2HB ASP 5 2HB ASP 5 6.200 4.044 5.844 313 H GLN 6 H GLN 6 5.993 1.412 3.691 314 HA GLN 6 HA GLN 6 6.580 3.428 1.923 315 1HB GLN 6 1HB GLN 6 6.644 0.425 1.848 316 2HB GLN 6 2HB GLN 6 6.821 1.267 0.321 317 1HG GLN 6 1HG GLN 6 8.485 1.995 2.768 318 2HG GLN 6 2HG GLN 6 8.992 0.757 1.636 319 1HE2 GLN 6 1HE2 GLN 6 8.953 4.033 2.370 320 2HE2 GLN 6 2HE2 GLN 6 9.549 4.686 0.880 321 H ILE 7 H ILE 7 3.676 1.470 2.309 322 HA ILE 7 HA ILE 7 2.734 1.956 -0.358 323 HB ILE 7 HB ILE 7 1.368 0.808 2.079 324 1HG1 ILE 7 1HG1 ILE 7 3.256 -0.557 1.487 325 2HG1 ILE 7 2HG1 ILE 7 1.789 -1.373 0.982 326 1HG2 ILE 7 1HG2 ILE 7 -0.366 1.519 0.675 327 2HG2 ILE 7 2HG2 ILE 7 0.514 1.062 -0.803 328 3HG2 ILE 7 3HG2 ILE 7 -0.140 -0.199 0.269 329 1HD1 ILE 7 1HD1 ILE 7 3.275 -1.587 -0.872 330 2HD1 ILE 7 2HD1 ILE 7 2.162 -0.280 -1.341 331 3HD1 ILE 7 3HD1 ILE 7 3.797 0.110 -0.754 332 H ILE 8 H ILE 8 2.553 3.475 2.836 333 HA ILE 8 HA ILE 8 0.282 5.036 2.400 334 HB ILE 8 HB ILE 8 2.725 5.598 4.086 335 1HG1 ILE 8 1HG1 ILE 8 1.775 3.427 4.623 336 2HG1 ILE 8 2HG1 ILE 8 1.462 4.569 5.914 337 1HG2 ILE 8 1HG2 ILE 8 1.566 7.630 3.942 338 2HG2 ILE 8 2HG2 ILE 8 -0.025 6.834 3.998 339 3HG2 ILE 8 3HG2 ILE 8 0.994 6.890 5.456 340 1HD1 ILE 8 1HD1 ILE 8 -0.836 4.970 4.985 341 2HD1 ILE 8 2HD1 ILE 8 -0.511 3.745 3.734 342 3HD1 ILE 8 3HD1 ILE 8 -0.571 3.272 5.449 343 H GLU 9 H GLU 9 3.788 5.648 1.737 344 HA GLU 9 HA GLU 9 3.225 8.217 0.704 345 1HB GLU 9 1HB GLU 9 5.708 6.454 0.574 346 2HB GLU 9 2HB GLU 9 5.659 8.097 -0.034 347 1HG GLU 9 1HG GLU 9 5.021 8.927 2.233 348 2HG GLU 9 2HG GLU 9 5.037 7.286 2.846 349 H ALA 10 H ALA 10 2.752 5.068 -0.494 350 HA ALA 10 HA ALA 10 3.507 5.563 -3.210 351 1HB ALA 10 1HB ALA 10 2.640 3.344 -3.593 352 2HB ALA 10 2HB ALA 10 3.511 3.320 -2.041 353 3HB ALA 10 3HB ALA 10 1.732 3.375 -2.062 354 H VAL 11 H VAL 11 0.476 5.552 -1.252 355 HA VAL 11 HA VAL 11 -1.180 6.096 -3.495 356 HB VAL 11 HB VAL 11 -1.533 6.221 -0.504 357 1HG1 VAL 11 1HG1 VAL 11 -3.042 7.880 -1.237 358 2HG1 VAL 11 2HG1 VAL 11 -3.490 6.954 -2.690 359 3HG1 VAL 11 3HG1 VAL 11 -4.024 6.403 -1.083 360 1HG2 VAL 11 1HG2 VAL 11 -2.720 4.364 -2.593 361 2HG2 VAL 11 2HG2 VAL 11 -1.314 3.988 -1.567 362 3HG2 VAL 11 3HG2 VAL 11 -2.912 4.247 -0.827 363 H ALA 12 H ALA 12 0.814 7.994 -1.276 364 HA ALA 12 HA ALA 12 -0.507 10.463 -1.953 365 1HB ALA 12 1HB ALA 12 1.117 11.449 -0.446 366 2HB ALA 12 2HB ALA 12 0.499 9.954 0.297 367 3HB ALA 12 3HB ALA 12 2.105 9.968 -0.471 368 H ALA 13 H ALA 13 1.253 8.406 -3.771 369 HA ALA 13 HA ALA 13 3.061 10.414 -4.868 370 1HB ALA 13 1HB ALA 13 2.748 7.498 -5.661 371 2HB ALA 13 2HB ALA 13 4.136 8.574 -5.956 372 3HB ALA 13 3HB ALA 13 3.768 8.028 -4.302 373 H MET 14 H MET 14 -0.028 8.814 -5.404 374 HA MET 14 HA MET 14 -0.018 9.678 -8.170 375 1HB MET 14 1HB MET 14 -2.090 8.074 -6.569 376 2HB MET 14 2HB MET 14 -2.107 8.298 -8.307 377 1HG MET 14 1HG MET 14 -0.719 6.523 -8.580 378 2HG MET 14 2HG MET 14 0.501 7.292 -7.583 379 1HE MET 14 1HE MET 14 -1.885 4.499 -8.016 380 2HE MET 14 2HE MET 14 -0.170 4.077 -7.790 381 3HE MET 14 3HE MET 14 -1.388 3.505 -6.625 382 H SER 15 H SER 15 -2.303 10.557 -8.943 383 HA SER 15 HA SER 15 -2.727 12.890 -7.373 384 1HB SER 15 1HB SER 15 -4.618 13.037 -9.348 385 2HB SER 15 2HB SER 15 -2.956 13.558 -9.542 386 HG SER 15 HG SER 15 -4.240 11.191 -10.491 387 H VAL 16 H VAL 16 -5.016 13.633 -6.803 388 HA VAL 16 HA VAL 16 -6.197 11.826 -5.095 389 HB VAL 16 HB VAL 16 -7.280 14.307 -6.438 390 1HG1 VAL 16 1HG1 VAL 16 -8.396 12.698 -4.121 391 2HG1 VAL 16 2HG1 VAL 16 -8.890 14.364 -4.506 392 3HG1 VAL 16 3HG1 VAL 16 -9.183 13.056 -5.677 393 1HG2 VAL 16 1HG2 VAL 16 -5.359 14.851 -5.139 394 2HG2 VAL 16 2HG2 VAL 16 -6.775 15.300 -4.159 395 3HG2 VAL 16 3HG2 VAL 16 -5.881 13.804 -3.797 396 H MET 17 H MET 17 -7.076 12.721 -8.488 397 HA MET 17 HA MET 17 -9.379 11.229 -8.611 398 1HB MET 17 1HB MET 17 -7.338 12.298 -10.565 399 2HB MET 17 2HB MET 17 -8.470 11.115 -11.189 400 1HG MET 17 1HG MET 17 -10.386 12.504 -10.444 401 2HG MET 17 2HG MET 17 -9.294 13.660 -9.707 402 1HE MET 17 1HE MET 17 -11.558 14.300 -11.975 403 2HE MET 17 2HE MET 17 -10.574 15.489 -11.089 404 3HE MET 17 3HE MET 17 -10.650 15.544 -12.866 405 H ASP 18 H ASP 18 -5.961 10.311 -9.372 406 HA ASP 18 HA ASP 18 -6.504 7.833 -10.398 407 1HB ASP 18 1HB ASP 18 -4.282 8.903 -10.492 408 2HB ASP 18 2HB ASP 18 -4.128 8.812 -8.749 409 H VAL 19 H VAL 19 -6.276 9.055 -7.041 410 HA VAL 19 HA VAL 19 -6.098 6.451 -5.870 411 HB VAL 19 HB VAL 19 -6.531 9.237 -4.790 412 1HG1 VAL 19 1HG1 VAL 19 -7.651 7.789 -3.245 413 2HG1 VAL 19 2HG1 VAL 19 -6.320 6.608 -3.292 414 3HG1 VAL 19 3HG1 VAL 19 -6.071 8.202 -2.538 415 1HG2 VAL 19 1HG2 VAL 19 -4.303 8.853 -5.672 416 2HG2 VAL 19 2HG2 VAL 19 -4.235 8.911 -3.895 417 3HG2 VAL 19 3HG2 VAL 19 -4.156 7.346 -4.738 418 H VAL 20 H VAL 20 -8.641 8.765 -6.784 419 HA VAL 20 HA VAL 20 -10.694 7.643 -5.236 420 HB VAL 20 HB VAL 20 -10.526 9.354 -7.694 421 1HG1 VAL 20 1HG1 VAL 20 -13.037 8.141 -6.507 422 2HG1 VAL 20 2HG1 VAL 20 -13.044 9.609 -7.513 423 3HG1 VAL 20 3HG1 VAL 20 -12.468 8.068 -8.192 424 1HG2 VAL 20 1HG2 VAL 20 -11.373 11.073 -6.278 425 2HG2 VAL 20 2HG2 VAL 20 -11.822 9.907 -5.011 426 3HG2 VAL 20 3HG2 VAL 20 -10.106 10.231 -5.353 427 H GLU 21 H GLU 21 -9.467 6.985 -8.568 428 HA GLU 21 HA GLU 21 -11.422 5.146 -9.223 429 1HB GLU 21 1HB GLU 21 -8.560 5.561 -10.150 430 2HB GLU 21 2HB GLU 21 -9.546 4.274 -10.816 431 1HG GLU 21 1HG GLU 21 -10.435 7.194 -10.759 432 2HG GLU 21 2HG GLU 21 -9.591 6.478 -12.118 433 H LEU 22 H LEU 22 -8.176 4.737 -7.672 434 HA LEU 22 HA LEU 22 -8.194 1.973 -7.536 435 1HB LEU 22 1HB LEU 22 -6.251 3.396 -7.138 436 2HB LEU 22 2HB LEU 22 -6.971 3.998 -5.658 437 HG LEU 22 HG LEU 22 -6.971 1.564 -4.845 438 1HD1 LEU 22 1HD1 LEU 22 -5.459 0.014 -5.866 439 2HD1 LEU 22 2HD1 LEU 22 -6.588 0.591 -7.116 440 3HD1 LEU 22 3HD1 LEU 22 -4.927 1.228 -7.053 441 1HD2 LEU 22 1HD2 LEU 22 -4.580 1.697 -4.170 442 2HD2 LEU 22 2HD2 LEU 22 -4.380 3.071 -5.285 443 3HD2 LEU 22 3HD2 LEU 22 -5.489 3.203 -3.899 444 H ILE 23 H ILE 23 -9.039 4.281 -4.853 445 HA ILE 23 HA ILE 23 -9.977 2.444 -3.092 446 HB ILE 23 HB ILE 23 -10.796 5.286 -3.642 447 1HG1 ILE 23 1HG1 ILE 23 -8.492 4.901 -2.880 448 2HG1 ILE 23 2HG1 ILE 23 -9.438 5.788 -1.701 449 1HG2 ILE 23 1HG2 ILE 23 -11.718 5.098 -1.214 450 2HG2 ILE 23 2HG2 ILE 23 -12.726 4.579 -2.586 451 3HG2 ILE 23 3HG2 ILE 23 -11.873 3.367 -1.599 452 1HD1 ILE 23 1HD1 ILE 23 -8.562 2.884 -1.613 453 2HD1 ILE 23 2HD1 ILE 23 -8.312 4.161 -0.398 454 3HD1 ILE 23 3HD1 ILE 23 -9.929 3.454 -0.627 455 H SER 24 H SER 24 -11.706 3.919 -5.886 456 HA SER 24 HA SER 24 -14.187 2.874 -5.231 457 1HB SER 24 1HB SER 24 -12.893 3.954 -7.726 458 2HB SER 24 2HB SER 24 -14.416 3.105 -7.901 459 HG SER 24 HG SER 24 -13.935 5.366 -6.150 460 H ALA 25 H ALA 25 -11.406 1.593 -7.117 461 HA ALA 25 HA ALA 25 -12.695 -0.629 -8.205 462 1HB ALA 25 1HB ALA 25 -10.523 -1.332 -8.790 463 2HB ALA 25 2HB ALA 25 -10.377 0.440 -8.695 464 3HB ALA 25 3HB ALA 25 -9.791 -0.574 -7.355 465 H MET 26 H MET 26 -10.438 -0.524 -5.350 466 HA MET 26 HA MET 26 -10.841 -3.057 -4.524 467 1HB MET 26 1HB MET 26 -10.391 -0.472 -2.943 468 2HB MET 26 2HB MET 26 -10.318 -2.046 -2.176 469 1HG MET 26 1HG MET 26 -8.472 -2.745 -3.640 470 2HG MET 26 2HG MET 26 -8.619 -1.286 -4.599 471 1HE MET 26 1HE MET 26 -5.251 -0.862 -2.604 472 2HE MET 26 2HE MET 26 -5.949 -2.472 -2.905 473 3HE MET 26 3HE MET 26 -6.008 -1.225 -4.174 474 H GLU 27 H GLU 27 -12.872 -0.163 -3.838 475 HA GLU 27 HA GLU 27 -14.438 -1.148 -1.870 476 1HB GLU 27 1HB GLU 27 -14.755 0.868 -4.039 477 2HB GLU 27 2HB GLU 27 -16.260 0.291 -3.351 478 1HG GLU 27 1HG GLU 27 -15.380 0.812 -1.048 479 2HG GLU 27 2HG GLU 27 -13.912 1.442 -1.769 480 H GLU 28 H GLU 28 -14.703 -1.704 -5.423 481 HA GLU 28 HA GLU 28 -17.123 -3.169 -5.080 482 1HB GLU 28 1HB GLU 28 -16.465 -1.733 -7.113 483 2HB GLU 28 2HB GLU 28 -15.384 -3.032 -7.574 484 1HG GLU 28 1HG GLU 28 -17.414 -4.614 -7.432 485 2HG GLU 28 2HG GLU 28 -18.414 -3.185 -7.269 486 H LYS 29 H LYS 29 -13.674 -3.891 -5.913 487 HA LYS 29 HA LYS 29 -13.968 -6.586 -6.406 488 1HB LYS 29 1HB LYS 29 -11.953 -5.383 -6.963 489 2HB LYS 29 2HB LYS 29 -11.636 -5.013 -5.280 490 1HG LYS 29 1HG LYS 29 -10.422 -6.927 -5.173 491 2HG LYS 29 2HG LYS 29 -11.928 -7.814 -5.297 492 1HD LYS 29 1HD LYS 29 -10.365 -6.832 -7.729 493 2HD LYS 29 2HD LYS 29 -10.150 -8.426 -7.033 494 1HE LYS 29 1HE LYS 29 -12.672 -8.792 -7.337 495 2HE LYS 29 2HE LYS 29 -12.715 -7.289 -8.237 496 1HZ LYS 29 1HZ LYS 29 -11.069 -8.233 -9.736 497 2HZ LYS 29 2HZ LYS 29 -11.091 -9.643 -8.914 498 3HZ LYS 29 3HZ LYS 29 -12.429 -9.136 -9.701 499 H PHE 30 H PHE 30 -12.820 -5.092 -3.291 500 HA PHE 30 HA PHE 30 -13.235 -7.547 -1.918 501 1HB PHE 30 1HB PHE 30 -12.663 -4.627 -1.153 502 2HB PHE 30 2HB PHE 30 -12.754 -5.890 0.059 503 HD1 PHE 30 1HD PHE 30 -10.714 -4.337 -2.475 504 HD2 PHE 30 2HD PHE 30 -11.084 -7.758 0.009 505 HE1 PHE 30 1HE PHE 30 -8.290 -4.871 -2.850 506 HE2 PHE 30 2HE PHE 30 -8.660 -8.292 -0.366 507 HZ PHE 30 HZ PHE 30 -7.292 -6.843 -1.791 508 H GLY 31 H GLY 31 -15.429 -5.330 -3.115 509 1HA GLY 31 1HA GLY 31 -17.519 -4.681 -2.554 510 2HA GLY 31 2HA GLY 31 -17.672 -6.330 -1.979 511 H VAL 32 H VAL 32 -15.808 -3.440 -0.783 512 HA VAL 32 HA VAL 32 -17.016 -3.940 1.843 513 HB VAL 32 HB VAL 32 -14.601 -4.174 1.751 514 1HG1 VAL 32 1HG1 VAL 32 -14.712 -1.420 0.518 515 2HG1 VAL 32 2HG1 VAL 32 -13.256 -2.002 1.360 516 3HG1 VAL 32 3HG1 VAL 32 -13.873 -2.878 -0.062 517 1HG2 VAL 32 1HG2 VAL 32 -15.028 -1.544 3.146 518 2HG2 VAL 32 2HG2 VAL 32 -15.909 -2.992 3.690 519 3HG2 VAL 32 3HG2 VAL 32 -14.129 -2.983 3.683 520 H SER 33 H SER 33 -18.765 -2.761 0.136 521 HA SER 33 HA SER 33 -18.413 0.085 0.351 522 1HB SER 33 1HB SER 33 -20.550 0.167 -0.966 523 2HB SER 33 2HB SER 33 -19.283 -0.749 -1.757 524 HG SER 33 HG SER 33 -21.447 -1.782 -1.743 525 H ALA 34 H ALA 34 -19.318 1.319 1.970 526 HA ALA 34 HA ALA 34 -21.588 0.171 3.423 527 1HB ALA 34 1HB ALA 34 -19.593 -0.335 4.740 528 2HB ALA 34 2HB ALA 34 -19.060 1.360 4.634 529 3HB ALA 34 3HB ALA 34 -20.531 0.945 5.546 530 H ALA 35 H ALA 35 -22.598 1.709 1.771 531 HA ALA 35 HA ALA 35 -23.094 4.189 3.103 532 1HB ALA 35 1HB ALA 35 -21.573 4.115 0.473 533 2HB ALA 35 2HB ALA 35 -22.464 5.546 1.041 534 3HB ALA 35 3HB ALA 35 -21.098 4.914 1.991 535 H ALA 36 H ALA 36 -25.233 3.357 3.186 536 HA ALA 36 HA ALA 36 -27.304 3.077 2.460 537 1HB ALA 36 1HB ALA 36 -26.471 4.237 -0.217 538 2HB ALA 36 2HB ALA 36 -28.061 4.320 0.579 539 3HB ALA 36 3HB ALA 36 -26.690 5.250 1.230 540 H ALA 37 H ALA 37 -28.449 1.319 1.669 541 HA ALA 37 HA ALA 37 -26.959 -0.388 -0.208 542 1HB ALA 37 1HB ALA 37 -28.651 -1.075 2.221 543 2HB ALA 37 2HB ALA 37 -28.185 -2.275 0.992 544 3HB ALA 37 3HB ALA 37 -26.932 -1.443 1.944
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