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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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3603 |
1dx8 ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -14.876 -4.965 3.515 2 H2 MET 1 2H MET 1 -14.857 -6.083 2.236 3 H3 MET 1 3H MET 1 -14.366 -4.477 1.973 4 HA MET 1 HA MET 1 -16.531 -3.647 2.087 5 1HB MET 1 1HB MET 1 -15.929 -6.102 0.587 6 2HB MET 1 2HB MET 1 -17.657 -5.800 0.762 7 1HG MET 1 1HG MET 1 -17.080 -3.367 0.050 8 2HG MET 1 2HG MET 1 -15.562 -4.056 -0.527 9 1HE MET 1 1HE MET 1 -19.267 -3.613 -0.882 10 2HE MET 1 2HE MET 1 -18.316 -2.631 -1.993 11 3HE MET 1 3HE MET 1 -19.444 -3.841 -2.620 12 H GLU 2 H GLU 2 -17.314 -7.101 2.377 13 HA GLU 2 HA GLU 2 -18.790 -6.515 4.917 14 1HB GLU 2 1HB GLU 2 -20.122 -6.482 2.684 15 2HB GLU 2 2HB GLU 2 -19.890 -8.230 2.688 16 1HG GLU 2 1HG GLU 2 -20.720 -7.508 5.306 17 2HG GLU 2 2HG GLU 2 -21.791 -6.671 4.183 18 H ILE 3 H ILE 3 -17.489 -7.786 6.275 19 HA ILE 3 HA ILE 3 -17.382 -10.705 5.623 20 HB ILE 3 HB ILE 3 -15.105 -9.037 6.728 21 1HG1 ILE 3 1HG1 ILE 3 -15.483 -10.145 3.929 22 2HG1 ILE 3 2HG1 ILE 3 -15.665 -8.447 4.369 23 1HG2 ILE 3 1HG2 ILE 3 -15.474 -11.922 5.975 24 2HG2 ILE 3 2HG2 ILE 3 -13.878 -11.180 5.865 25 3HG2 ILE 3 3HG2 ILE 3 -14.718 -11.239 7.415 26 1HD1 ILE 3 1HD1 ILE 3 -13.319 -8.407 5.155 27 2HD1 ILE 3 2HD1 ILE 3 -13.139 -10.098 4.690 28 3HD1 ILE 3 3HD1 ILE 3 -13.416 -8.869 3.456 29 H ASP 4 H ASP 4 -16.850 -11.998 7.630 30 HA ASP 4 HA ASP 4 -16.898 -10.986 10.286 31 1HB ASP 4 1HB ASP 4 -19.336 -10.607 8.938 32 2HB ASP 4 2HB ASP 4 -19.612 -11.988 9.997 33 H GLU 5 H GLU 5 -17.698 -13.586 8.070 34 HA GLU 5 HA GLU 5 -18.086 -15.664 10.027 35 1HB GLU 5 1HB GLU 5 -18.250 -15.294 7.262 36 2HB GLU 5 2HB GLU 5 -16.972 -16.493 7.460 37 1HG GLU 5 1HG GLU 5 -18.584 -18.042 7.753 38 2HG GLU 5 2HG GLU 5 -18.975 -17.250 9.280 39 H GLY 6 H GLY 6 -15.984 -14.590 11.203 40 1HA GLY 6 1HA GLY 6 -13.742 -14.857 11.850 41 2HA GLY 6 2HA GLY 6 -14.016 -16.549 11.457 42 H LYS 7 H LYS 7 -14.296 -14.109 8.960 43 HA LYS 7 HA LYS 7 -12.214 -15.411 7.381 44 1HB LYS 7 1HB LYS 7 -14.426 -13.687 7.013 45 2HB LYS 7 2HB LYS 7 -13.014 -12.787 6.462 46 1HG LYS 7 1HG LYS 7 -13.363 -13.943 4.523 47 2HG LYS 7 2HG LYS 7 -12.489 -15.219 5.371 48 1HD LYS 7 2HD LYS 7 -14.801 -15.923 6.290 49 2HD LYS 7 1HD LYS 7 -14.459 -16.283 4.598 50 1HE LYS 7 1HE LYS 7 -16.398 -14.357 5.760 51 2HE LYS 7 2HE LYS 7 -15.505 -13.786 4.338 52 1HZ LYS 7 1HZ LYS 7 -16.861 -16.428 4.547 53 2HZ LYS 7 2HZ LYS 7 -17.511 -15.080 3.748 54 3HZ LYS 7 3HZ LYS 7 -16.083 -15.799 3.174 55 H TYR 8 H TYR 8 -10.063 -15.026 7.779 56 HA TYR 8 HA TYR 8 -9.271 -12.437 9.035 57 1HB TYR 8 1HB TYR 8 -8.136 -15.207 8.771 58 2HB TYR 8 2HB TYR 8 -7.044 -13.866 9.113 59 HD1 TYR 8 HD1 TYR 8 -10.566 -14.533 10.226 60 HD2 TYR 8 HD2 TYR 8 -6.466 -13.976 11.381 61 HE1 TYR 8 HE1 TYR 8 -11.235 -14.617 12.608 62 HE2 TYR 8 HE2 TYR 8 -7.132 -14.062 13.769 63 HH TYR 8 HH TYR 8 -10.547 -14.425 14.726 64 H GLU 9 H GLU 9 -7.726 -11.080 8.015 65 HA GLU 9 HA GLU 9 -7.163 -11.728 5.139 66 1HB GLU 9 1HB GLU 9 -8.760 -9.846 5.703 67 2HB GLU 9 2HB GLU 9 -7.411 -9.019 6.483 68 1HG GLU 9 1HG GLU 9 -6.188 -9.423 4.201 69 2HG GLU 9 2HG GLU 9 -7.820 -9.640 3.567 70 H CYS 10 H CYS 10 -5.011 -11.911 4.646 71 HA CYS 10 HA CYS 10 -2.939 -11.585 6.634 72 1HB CYS 10 1HB CYS 10 -3.131 -13.066 4.484 73 2HB CYS 10 2HB CYS 10 -2.530 -11.640 3.659 74 H GLU 11 H GLU 11 -2.366 -9.529 7.323 75 HA GLU 11 HA GLU 11 -2.704 -7.142 5.724 76 1HB GLU 11 1HB GLU 11 -1.919 -7.947 8.359 77 2HB GLU 11 2HB GLU 11 -0.693 -6.845 7.735 78 1HG GLU 11 1HG GLU 11 -3.565 -6.126 7.318 79 2HG GLU 11 2HG GLU 11 -2.890 -5.926 8.935 80 H ALA 12 H ALA 12 -0.388 -9.663 5.658 81 HA ALA 12 HA ALA 12 1.874 -8.036 4.755 82 1HB ALA 12 1HB ALA 12 2.018 -10.115 6.140 83 2HB ALA 12 3HB ALA 12 2.976 -10.206 4.662 84 3HB ALA 12 2HB ALA 12 1.421 -11.032 4.757 85 H CYS 13 H CYS 13 -0.487 -10.280 3.200 86 HA CYS 13 HA CYS 13 0.573 -9.266 0.587 87 1HB CYS 13 2HB CYS 13 1.160 -11.643 1.328 88 2HB CYS 13 1HB CYS 13 0.456 -11.479 -0.276 89 H GLY 14 H GLY 14 -2.309 -10.285 2.376 90 1HA GLY 14 1HA GLY 14 -4.379 -8.967 1.937 91 2HA GLY 14 2HA GLY 14 -3.938 -8.980 0.230 92 H TYR 15 H TYR 15 -3.430 -11.879 2.045 93 HA TYR 15 HA TYR 15 -5.364 -13.329 0.381 94 1HB TYR 15 1HB TYR 15 -3.163 -14.256 0.875 95 2HB TYR 15 2HB TYR 15 -3.446 -14.095 2.607 96 HD1 TYR 15 HD1 TYR 15 -4.995 -15.584 3.781 97 HD2 TYR 15 HD2 TYR 15 -4.248 -16.012 -0.426 98 HE1 TYR 15 HE1 TYR 15 -6.048 -17.828 3.824 99 HE2 TYR 15 HE2 TYR 15 -5.300 -18.257 -0.385 100 HH TYR 15 HH TYR 15 -6.617 -19.648 0.854 101 H ILE 16 H ILE 16 -7.120 -14.599 1.326 102 HA ILE 16 HA ILE 16 -8.054 -13.525 3.966 103 HB ILE 16 HB ILE 16 -9.491 -14.210 1.389 104 1HG1 ILE 16 2HG1 ILE 16 -9.125 -11.730 3.078 105 2HG1 ILE 16 1HG1 ILE 16 -10.381 -11.845 1.846 106 1HG2 ILE 16 1HG2 ILE 16 -10.655 -13.698 4.143 107 2HG2 ILE 16 2HG2 ILE 16 -11.594 -13.620 2.653 108 3HG2 ILE 16 3HG2 ILE 16 -10.864 -15.145 3.156 109 1HD1 ILE 16 1HD1 ILE 16 -8.112 -12.767 0.535 110 2HD1 ILE 16 2HD1 ILE 16 -8.802 -11.151 0.382 111 3HD1 ILE 16 3HD1 ILE 16 -7.498 -11.447 1.532 112 H TYR 17 H TYR 17 -7.722 -15.172 5.428 113 HA TYR 17 HA TYR 17 -7.789 -17.989 4.681 114 1HB TYR 17 1HB TYR 17 -6.329 -17.237 6.447 115 2HB TYR 17 2HB TYR 17 -7.658 -16.438 7.285 116 HD1 TYR 17 HD1 TYR 17 -6.440 -19.795 6.174 117 HD2 TYR 17 HD2 TYR 17 -8.954 -17.602 8.884 118 HE1 TYR 17 HE1 TYR 17 -6.924 -21.884 7.422 119 HE2 TYR 17 HE2 TYR 17 -9.435 -19.692 10.126 120 HH TYR 17 HH TYR 17 -9.406 -22.299 9.418 121 H GLU 18 H GLU 18 -9.616 -19.220 4.555 122 HA GLU 18 HA GLU 18 -12.157 -18.125 5.671 123 1HB GLU 18 1HB GLU 18 -11.354 -20.042 3.495 124 2HB GLU 18 2HB GLU 18 -12.994 -20.091 4.140 125 1HG GLU 18 1HG GLU 18 -13.020 -17.537 3.743 126 2HG GLU 18 2HG GLU 18 -11.598 -17.811 2.737 127 HA PRO 19 HA PRO 19 -11.381 -21.282 8.810 128 1HB PRO 19 1HB PRO 19 -13.454 -20.539 10.447 129 2HB PRO 19 2HB PRO 19 -11.875 -19.746 10.440 130 1HG PRO 19 1HG PRO 19 -14.424 -18.879 9.178 131 2HG PRO 19 2HG PRO 19 -13.179 -17.918 9.982 132 1HD PRO 19 1HD PRO 19 -13.426 -18.097 7.269 133 2HD PRO 19 2HD PRO 19 -11.888 -17.777 8.096 134 H GLU 20 H GLU 20 -14.840 -20.546 8.500 135 HA GLU 20 HA GLU 20 -15.893 -23.107 8.748 136 1HB GLU 20 1HB GLU 20 -17.188 -21.026 8.616 137 2HB GLU 20 2HB GLU 20 -16.745 -20.840 6.919 138 1HG GLU 20 1HG GLU 20 -17.861 -23.031 6.441 139 2HG GLU 20 2HG GLU 20 -18.402 -23.078 8.119 140 H LYS 21 H LYS 21 -14.203 -21.746 5.986 141 HA LYS 21 HA LYS 21 -14.968 -24.017 4.241 142 1HB LYS 21 1HB LYS 21 -14.490 -21.340 3.845 143 2HB LYS 21 2HB LYS 21 -12.952 -22.051 3.355 144 1HG LYS 21 2HG LYS 21 -14.523 -23.751 2.064 145 2HG LYS 21 1HG LYS 21 -14.133 -22.183 1.358 146 1HD LYS 21 1HD LYS 21 -16.700 -23.185 1.897 147 2HD LYS 21 2HD LYS 21 -16.410 -21.979 3.150 148 1HE LYS 21 1HE LYS 21 -16.499 -20.255 1.655 149 2HE LYS 21 2HE LYS 21 -15.539 -21.140 0.453 150 1HZ LYS 21 1HZ LYS 21 -18.290 -21.990 1.125 151 2HZ LYS 21 2HZ LYS 21 -18.032 -20.761 -0.015 152 3HZ LYS 21 3HZ LYS 21 -17.391 -22.311 -0.280 153 H GLY 22 H GLY 22 -12.170 -22.741 5.986 154 1HA GLY 22 1HA GLY 22 -10.338 -24.058 6.771 155 2HA GLY 22 2HA GLY 22 -10.860 -25.366 5.713 156 H ASP 23 H ASP 23 -8.173 -24.396 5.933 157 HA ASP 23 HA ASP 23 -7.619 -22.758 3.555 158 1HB ASP 23 1HB ASP 23 -6.423 -22.998 5.926 159 2HB ASP 23 2HB ASP 23 -5.547 -24.278 5.090 160 H LYS 24 H LYS 24 -8.925 -24.744 2.450 161 HA LYS 24 HA LYS 24 -7.872 -27.264 1.942 162 1HB LYS 24 1HB LYS 24 -9.819 -25.581 0.910 163 2HB LYS 24 2HB LYS 24 -8.764 -25.863 -0.476 164 1HG LYS 24 1HG LYS 24 -8.886 -28.373 0.322 165 2HG LYS 24 2HG LYS 24 -10.364 -27.838 1.122 166 1HD LYS 24 1HD LYS 24 -9.964 -27.035 -1.727 167 2HD LYS 24 2HD LYS 24 -10.381 -28.718 -1.403 168 1HE LYS 24 1HE LYS 24 -12.170 -27.461 0.224 169 2HE LYS 24 2HE LYS 24 -12.036 -26.276 -1.090 170 1HZ LYS 24 1HZ LYS 24 -12.310 -28.119 -2.675 171 2HZ LYS 24 2HZ LYS 24 -12.551 -29.193 -1.382 172 3HZ LYS 24 3HZ LYS 24 -13.668 -27.950 -1.667 173 H PHE 25 H PHE 25 -6.611 -24.177 0.842 174 HA PHE 25 HA PHE 25 -4.818 -25.339 -1.163 175 1HB PHE 25 1HB PHE 25 -5.707 -22.738 -0.186 176 2HB PHE 25 2HB PHE 25 -3.968 -22.761 -0.478 177 HD1 PHE 25 HD1 PHE 25 -7.045 -24.182 -2.106 178 HD2 PHE 25 HD2 PHE 25 -3.320 -22.102 -2.610 179 HE1 PHE 25 HE1 PHE 25 -7.453 -24.041 -4.549 180 HE2 PHE 25 HE2 PHE 25 -3.728 -21.962 -5.052 181 HZ PHE 25 HZ PHE 25 -5.794 -22.931 -6.021 182 H ALA 26 H ALA 26 -4.690 -24.569 2.257 183 HA ALA 26 HA ALA 26 -1.735 -24.925 2.321 184 1HB ALA 26 3HB ALA 26 -1.944 -24.024 4.561 185 2HB ALA 26 2HB ALA 26 -3.689 -24.271 4.545 186 3HB ALA 26 1HB ALA 26 -2.964 -23.051 3.500 187 H GLY 27 H GLY 27 -4.735 -26.501 3.307 188 1HA GLY 27 1HA GLY 27 -4.450 -29.046 3.340 189 2HA GLY 27 2HA GLY 27 -3.110 -28.741 4.441 190 H ILE 28 H ILE 28 -5.506 -26.474 5.087 191 HA ILE 28 HA ILE 28 -6.381 -28.050 7.453 192 HB ILE 28 HB ILE 28 -6.534 -25.121 6.678 193 1HG1 ILE 28 1HG1 ILE 28 -5.048 -25.779 9.073 194 2HG1 ILE 28 2HG1 ILE 28 -4.438 -26.706 7.702 195 1HG2 ILE 28 1HG2 ILE 28 -8.409 -25.988 8.190 196 2HG2 ILE 28 2HG2 ILE 28 -7.154 -26.331 9.381 197 3HG2 ILE 28 3HG2 ILE 28 -7.434 -24.674 8.847 198 1HD1 ILE 28 1HD1 ILE 28 -5.022 -23.866 7.123 199 2HD1 ILE 28 2HD1 ILE 28 -3.697 -24.135 8.255 200 3HD1 ILE 28 3HD1 ILE 28 -3.641 -24.851 6.643 201 HA PRO 29 HA PRO 29 -10.277 -28.633 5.335 202 1HB PRO 29 1HB PRO 29 -11.595 -29.877 7.385 203 2HB PRO 29 2HB PRO 29 -10.404 -30.699 6.360 204 1HG PRO 29 2HG PRO 29 -9.411 -31.056 8.396 205 2HG PRO 29 1HG PRO 29 -10.117 -29.599 9.108 206 1HD PRO 29 1HD PRO 29 -8.057 -28.692 8.765 207 2HD PRO 29 2HD PRO 29 -7.619 -29.919 7.559 208 HA PRO 30 HA PRO 30 -12.921 -25.418 6.784 209 1HB PRO 30 1HB PRO 30 -15.440 -26.461 6.607 210 2HB PRO 30 2HB PRO 30 -14.483 -26.011 5.184 211 1HG PRO 30 1HG PRO 30 -14.925 -28.693 6.409 212 2HG PRO 30 2HG PRO 30 -14.898 -28.230 4.701 213 1HD PRO 30 1HD PRO 30 -12.800 -29.428 5.943 214 2HD PRO 30 2HD PRO 30 -12.597 -28.290 4.594 215 H GLY 31 H GLY 31 -15.264 -25.446 8.249 216 1HA GLY 31 1HA GLY 31 -15.944 -25.443 10.504 217 2HA GLY 31 2HA GLY 31 -15.510 -27.151 10.455 218 H THR 32 H THR 32 -13.346 -24.347 10.093 219 HA THR 32 HA THR 32 -12.157 -24.921 12.760 220 HB THR 32 HB THR 32 -10.697 -25.010 10.102 221 HG1 THR 32 HG1 THR 32 -11.612 -26.941 10.360 222 1HG2 THR 32 1HG2 THR 32 -9.798 -24.719 12.903 223 2HG2 THR 32 2HG2 THR 32 -8.959 -25.960 11.973 224 3HG2 THR 32 3HG2 THR 32 -8.973 -24.290 11.404 225 HA PRO 33 HA PRO 33 -12.154 -20.442 12.221 226 1HB PRO 33 1HB PRO 33 -11.528 -19.845 14.817 227 2HB PRO 33 2HB PRO 33 -13.169 -20.260 14.286 228 1HG PRO 33 2HG PRO 33 -12.873 -21.887 15.889 229 2HG PRO 33 1HG PRO 33 -11.123 -21.952 15.641 230 1HD PRO 33 1HD PRO 33 -11.624 -23.835 14.443 231 2HD PRO 33 2HD PRO 33 -13.297 -23.317 14.148 232 H PHE 34 H PHE 34 -10.446 -18.880 12.105 233 HA PHE 34 HA PHE 34 -7.836 -19.782 11.537 234 1HB PHE 34 1HB PHE 34 -8.654 -17.645 10.792 235 2HB PHE 34 2HB PHE 34 -8.978 -17.124 12.436 236 HD1 PHE 34 HD1 PHE 34 -7.045 -16.755 14.022 237 HD2 PHE 34 HD2 PHE 34 -6.499 -17.377 9.808 238 HE1 PHE 34 HE1 PHE 34 -4.759 -15.812 14.181 239 HE2 PHE 34 HE2 PHE 34 -4.212 -16.434 9.965 240 HZ PHE 34 HZ PHE 34 -3.343 -15.649 12.153 241 H VAL 35 H VAL 35 -9.265 -18.787 14.609 242 HA VAL 35 HA VAL 35 -6.863 -18.524 16.136 243 HB VAL 35 HB VAL 35 -8.426 -18.766 18.029 244 1HG1 VAL 35 1HG1 VAL 35 -8.891 -17.054 15.697 245 2HG1 VAL 35 2HG1 VAL 35 -10.337 -17.272 16.683 246 3HG1 VAL 35 3HG1 VAL 35 -8.863 -16.632 17.409 247 1HG2 VAL 35 1HG2 VAL 35 -9.772 -20.476 16.196 248 2HG2 VAL 35 2HG2 VAL 35 -10.203 -20.138 17.872 249 3HG2 VAL 35 3HG2 VAL 35 -10.871 -19.149 16.573 250 H ASP 36 H ASP 36 -8.345 -21.321 14.780 251 HA ASP 36 HA ASP 36 -7.049 -23.124 16.769 252 1HB ASP 36 1HB ASP 36 -9.505 -23.229 15.972 253 2HB ASP 36 2HB ASP 36 -8.853 -23.872 14.465 254 H LEU 37 H LEU 37 -6.103 -21.620 13.975 255 HA LEU 37 HA LEU 37 -5.136 -23.656 12.260 256 1HB LEU 37 1HB LEU 37 -4.234 -20.870 12.998 257 2HB LEU 37 2HB LEU 37 -3.340 -21.815 11.808 258 HG LEU 37 HG LEU 37 -6.289 -21.104 11.671 259 1HD1 LEU 37 1HD1 LEU 37 -4.404 -19.357 11.172 260 2HD1 LEU 37 2HD1 LEU 37 -4.156 -20.304 9.705 261 3HD1 LEU 37 3HD1 LEU 37 -5.719 -19.547 10.012 262 1HD2 LEU 37 1HD2 LEU 37 -4.698 -23.168 10.370 263 2HD2 LEU 37 2HD2 LEU 37 -6.442 -22.908 10.320 264 3HD2 LEU 37 3HD2 LEU 37 -5.390 -22.051 9.193 265 H SER 38 H SER 38 -2.568 -23.931 12.032 266 HA SER 38 HA SER 38 -1.682 -25.431 14.334 267 1HB SER 38 1HB SER 38 0.068 -24.405 12.100 268 2HB SER 38 2HB SER 38 0.149 -25.957 12.934 269 HG SER 38 HG SER 38 -1.561 -26.672 11.827 270 H ASP 39 H ASP 39 0.421 -24.960 15.475 271 HA ASP 39 HA ASP 39 0.423 -22.369 16.696 272 1HB ASP 39 1HB ASP 39 1.361 -24.743 17.378 273 2HB ASP 39 2HB ASP 39 2.833 -24.162 16.601 274 H SER 40 H SER 40 1.895 -23.560 13.774 275 HA SER 40 HA SER 40 3.211 -20.901 13.406 276 1HB SER 40 1HB SER 40 4.368 -23.659 13.405 277 2HB SER 40 2HB SER 40 5.028 -22.491 12.260 278 HG SER 40 HG SER 40 5.195 -21.055 14.138 279 H PHE 41 H PHE 41 0.808 -21.336 12.222 280 HA PHE 41 HA PHE 41 0.927 -22.694 9.669 281 1HB PHE 41 1HB PHE 41 -1.199 -22.390 10.665 282 2HB PHE 41 2HB PHE 41 -0.889 -20.707 11.044 283 HD1 PHE 41 HD1 PHE 41 -1.742 -23.090 8.337 284 HD2 PHE 41 HD2 PHE 41 -1.203 -18.960 9.402 285 HE1 PHE 41 HE1 PHE 41 -2.819 -22.401 6.214 286 HE2 PHE 41 HE2 PHE 41 -2.282 -18.274 7.276 287 HZ PHE 41 HZ PHE 41 -3.090 -19.994 5.683 288 H MET 42 H MET 42 1.444 -21.841 7.642 289 HA MET 42 HA MET 42 2.490 -19.029 7.606 290 1HB MET 42 2HB MET 42 4.113 -19.804 6.000 291 2HB MET 42 1HB MET 42 3.270 -21.337 5.800 292 1HG MET 42 1HG MET 42 4.123 -20.652 8.567 293 2HG MET 42 2HG MET 42 4.132 -22.211 7.743 294 1HE MET 42 1HE MET 42 5.721 -23.308 7.049 295 2HE MET 42 2HE MET 42 7.394 -22.897 6.678 296 3HE MET 42 3HE MET 42 6.862 -22.966 8.357 297 H CYS 43 H CYS 43 1.800 -17.706 5.892 298 HA CYS 43 HA CYS 43 -0.732 -18.179 4.698 299 1HB CYS 43 1HB CYS 43 0.602 -16.024 5.084 300 2HB CYS 43 2HB CYS 43 1.473 -16.429 3.605 301 HA PRO 44 HA PRO 44 0.600 -20.878 1.400 302 1HB PRO 44 1HB PRO 44 -1.777 -20.992 0.055 303 2HB PRO 44 2HB PRO 44 -1.470 -21.899 1.547 304 1HG PRO 44 2HG PRO 44 -3.311 -20.716 2.239 305 2HG PRO 44 1HG PRO 44 -2.986 -19.374 1.135 306 1HD PRO 44 1HD PRO 44 -2.170 -18.327 2.984 307 2HD PRO 44 2HD PRO 44 -1.964 -19.854 3.867 308 H ALA 45 H ALA 45 -0.405 -17.614 1.151 309 HA ALA 45 HA ALA 45 0.142 -17.530 -1.783 310 1HB ALA 45 3HB ALA 45 -1.767 -16.312 -1.608 311 2HB ALA 45 2HB ALA 45 -0.735 -15.035 -0.965 312 3HB ALA 45 1HB ALA 45 -1.578 -16.126 0.136 313 H CYS 46 H CYS 46 1.097 -16.024 1.309 314 HA CYS 46 HA CYS 46 3.521 -15.001 -0.115 315 1HB CYS 46 1HB CYS 46 3.270 -12.944 0.945 316 2HB CYS 46 2HB CYS 46 1.595 -13.422 0.713 317 H ARG 47 H ARG 47 2.620 -17.336 1.973 318 HA ARG 47 HA ARG 47 3.789 -18.655 3.537 319 1HB ARG 47 1HB ARG 47 5.647 -17.406 1.681 320 2HB ARG 47 2HB ARG 47 6.419 -17.755 3.228 321 1HG ARG 47 1HG ARG 47 5.752 -20.077 3.107 322 2HG ARG 47 2HG ARG 47 4.762 -19.766 1.681 323 1HD ARG 47 1HD ARG 47 7.437 -18.813 1.184 324 2HD ARG 47 2HD ARG 47 7.504 -20.500 1.731 325 HE ARG 47 HE ARG 47 5.895 -21.059 -0.068 326 1HH1 ARG 47 1HH1 ARG 47 4.429 -19.664 -1.514 327 2HH1 ARG 47 2HH1 ARG 47 5.314 -18.593 -2.547 328 1HH2 ARG 47 1HH2 ARG 47 8.280 -18.913 -0.777 329 2HH2 ARG 47 2HH2 ARG 47 7.496 -18.165 -2.128 330 H SER 48 H SER 48 3.071 -15.642 4.268 331 HA SER 48 HA SER 48 5.080 -14.896 6.228 332 1HB SER 48 1HB SER 48 2.256 -14.100 5.548 333 2HB SER 48 2HB SER 48 3.028 -13.459 6.996 334 HG SER 48 HG SER 48 3.302 -12.205 5.015 335 HA PRO 49 HA PRO 49 3.831 -17.385 9.627 336 1HB PRO 49 1HB PRO 49 4.019 -15.661 11.748 337 2HB PRO 49 2HB PRO 49 5.435 -16.340 10.924 338 1HG PRO 49 2HG PRO 49 5.880 -14.092 10.661 339 2HG PRO 49 1HG PRO 49 4.166 -13.657 10.624 340 1HD PRO 49 1HD PRO 49 4.525 -13.554 8.361 341 2HD PRO 49 2HD PRO 49 5.911 -14.663 8.434 342 H LYS 50 H LYS 50 1.912 -17.935 10.717 343 HA LYS 50 HA LYS 50 -0.554 -16.827 10.000 344 1HB LYS 50 1HB LYS 50 -0.034 -19.024 11.138 345 2HB LYS 50 2HB LYS 50 0.160 -18.131 12.647 346 1HG LYS 50 1HG LYS 50 -2.199 -17.201 12.182 347 2HG LYS 50 2HG LYS 50 -2.341 -18.495 10.994 348 1HD LYS 50 1HD LYS 50 -2.426 -20.134 12.599 349 2HD LYS 50 2HD LYS 50 -1.332 -19.273 13.681 350 1HE LYS 50 1HE LYS 50 -3.308 -17.585 13.961 351 2HE LYS 50 2HE LYS 50 -4.306 -18.906 13.324 352 1HZ LYS 50 1HZ LYS 50 -3.163 -20.370 14.983 353 2HZ LYS 50 2HZ LYS 50 -2.493 -18.976 15.679 354 3HZ LYS 50 3HZ LYS 50 -4.178 -19.194 15.671 355 H ASN 51 H ASN 51 1.700 -15.676 12.419 356 HA ASN 51 HA ASN 51 -0.138 -14.069 13.941 357 1HB ASN 51 1HB ASN 51 2.831 -14.103 13.407 358 2HB ASN 51 2HB ASN 51 2.117 -12.830 14.397 359 2HD2 ASN 51 2HD2 ASN 51 2.984 -13.571 16.431 360 1HD2 ASN 51 1HD2 ASN 51 2.520 -15.044 17.136 361 H GLN 52 H GLN 52 1.064 -13.757 10.737 362 HA GLN 52 HA GLN 52 0.840 -10.826 10.620 363 1HB GLN 52 1HB GLN 52 1.983 -12.972 9.125 364 2HB GLN 52 2HB GLN 52 0.856 -12.133 8.061 365 1HG GLN 52 1HG GLN 52 3.090 -10.847 9.664 366 2HG GLN 52 2HG GLN 52 3.085 -11.105 7.920 367 2HE2 GLN 52 2HE2 GLN 52 0.293 -10.377 7.471 368 1HE2 GLN 52 1HE2 GLN 52 0.156 -8.710 7.752 369 H PHE 53 H PHE 53 -1.377 -13.395 10.645 370 HA PHE 53 HA PHE 53 -3.256 -12.254 8.682 371 1HB PHE 53 1HB PHE 53 -3.097 -14.593 10.551 372 2HB PHE 53 2HB PHE 53 -4.673 -14.129 9.914 373 HD1 PHE 53 HD1 PHE 53 -1.152 -14.689 8.743 374 HD2 PHE 53 HD2 PHE 53 -5.343 -15.006 7.861 375 HE1 PHE 53 HE1 PHE 53 -0.615 -15.819 6.602 376 HE2 PHE 53 HE2 PHE 53 -4.807 -16.136 5.720 377 HZ PHE 53 HZ PHE 53 -2.442 -16.542 5.089 378 H LYS 54 H LYS 54 -5.251 -11.250 9.246 379 HA LYS 54 HA LYS 54 -5.691 -10.598 12.125 380 1HB LYS 54 1HB LYS 54 -4.315 -8.854 10.842 381 2HB LYS 54 2HB LYS 54 -5.772 -8.546 9.897 382 1HG LYS 54 1HG LYS 54 -6.533 -8.565 12.642 383 2HG LYS 54 2HG LYS 54 -5.095 -7.553 12.504 384 1HD LYS 54 1HD LYS 54 -6.166 -6.289 10.668 385 2HD LYS 54 2HD LYS 54 -7.607 -7.295 10.821 386 1HE LYS 54 1HE LYS 54 -8.346 -6.115 12.625 387 2HE LYS 54 2HE LYS 54 -6.741 -6.126 13.381 388 1HZ LYS 54 1HZ LYS 54 -6.046 -4.463 11.711 389 2HZ LYS 54 2HZ LYS 54 -7.642 -4.386 11.139 390 3HZ LYS 54 3HZ LYS 54 -7.282 -3.886 12.722 391 H SER 55 H SER 55 -7.857 -10.759 12.627 392 HA SER 55 HA SER 55 -9.776 -11.740 10.765 393 1HB SER 55 1HB SER 55 -11.361 -10.995 12.661 394 2HB SER 55 2HB SER 55 -10.095 -12.138 13.072 395 HG SER 55 HG SER 55 -10.248 -10.361 14.539 396 H ILE 56 H ILE 56 -11.920 -10.564 10.413 397 HA ILE 56 HA ILE 56 -11.810 -7.635 10.192 398 HB ILE 56 HB ILE 56 -10.502 -8.356 8.250 399 1HG1 ILE 56 1HG1 ILE 56 -13.126 -7.761 6.972 400 2HG1 ILE 56 2HG1 ILE 56 -12.545 -6.606 8.171 401 1HG2 ILE 56 1HG2 ILE 56 -12.499 -10.453 8.212 402 2HG2 ILE 56 2HG2 ILE 56 -12.401 -9.670 6.634 403 3HG2 ILE 56 3HG2 ILE 56 -10.957 -10.375 7.359 404 1HD1 ILE 56 1HD1 ILE 56 -10.312 -6.654 6.912 405 2HD1 ILE 56 2HD1 ILE 56 -11.178 -7.489 5.622 406 3HD1 ILE 56 3HD1 ILE 56 -11.653 -5.857 6.090 407 H LYS 57 H LYS 57 -13.708 -8.221 11.622 408 HA LYS 57 HA LYS 57 -16.056 -9.302 10.144 409 1HB LYS 57 1HB LYS 57 -15.412 -8.756 13.056 410 2HB LYS 57 2HB LYS 57 -16.999 -9.302 12.513 411 1HG LYS 57 1HG LYS 57 -16.277 -11.428 12.210 412 2HG LYS 57 2HG LYS 57 -14.798 -10.896 11.410 413 1HD LYS 57 1HD LYS 57 -13.636 -11.333 13.287 414 2HD LYS 57 2HD LYS 57 -14.610 -10.149 14.158 415 1HE LYS 57 1HE LYS 57 -16.354 -12.259 14.036 416 2HE LYS 57 2HE LYS 57 -14.798 -13.101 14.162 417 1HZ LYS 57 1HZ LYS 57 -14.220 -11.565 15.990 418 2HZ LYS 57 2HZ LYS 57 -15.782 -10.908 15.917 419 3HZ LYS 57 3HZ LYS 57 -15.565 -12.533 16.362 420 H LYS 58 H LYS 58 -15.776 -7.031 8.988 421 HA LYS 58 HA LYS 58 -17.621 -5.128 10.381 422 1HB LYS 58 1HB LYS 58 -14.852 -4.825 9.975 423 2HB LYS 58 2HB LYS 58 -15.611 -3.810 8.748 424 1HG LYS 58 1HG LYS 58 -16.365 -2.329 10.289 425 2HG LYS 58 2HG LYS 58 -16.902 -3.610 11.377 426 1HD LYS 58 1HD LYS 58 -15.169 -2.669 12.618 427 2HD LYS 58 2HD LYS 58 -14.312 -3.951 11.761 428 1HE LYS 58 1HE LYS 58 -13.316 -2.443 10.249 429 2HE LYS 58 2HE LYS 58 -14.539 -1.193 10.548 430 1HZ LYS 58 1HZ LYS 58 -12.754 -2.227 12.680 431 2HZ LYS 58 2HZ LYS 58 -12.328 -0.891 11.721 432 3HZ LYS 58 3HZ LYS 58 -13.707 -0.821 12.706 433 H VAL 59 H VAL 59 -18.898 -3.852 8.896 434 HA VAL 59 HA VAL 59 -18.818 -4.805 6.049 435 HB VAL 59 HB VAL 59 -21.177 -4.172 7.853 436 1HG1 VAL 59 1HG1 VAL 59 -20.895 -4.633 4.921 437 2HG1 VAL 59 2HG1 VAL 59 -22.266 -5.397 5.726 438 3HG1 VAL 59 3HG1 VAL 59 -22.066 -3.646 5.795 439 1HG2 VAL 59 1HG2 VAL 59 -19.711 -6.634 7.127 440 2HG2 VAL 59 2HG2 VAL 59 -20.729 -6.303 8.528 441 3HG2 VAL 59 3HG2 VAL 59 -21.465 -6.750 6.989 442 H ILE 60 H ILE 60 -18.141 -3.060 4.849 443 HA ILE 60 HA ILE 60 -19.314 -0.378 5.512 444 HB ILE 60 HB ILE 60 -16.537 -1.152 4.562 445 1HG1 ILE 60 1HG1 ILE 60 -16.371 0.421 6.846 446 2HG1 ILE 60 2HG1 ILE 60 -17.768 -0.608 7.162 447 1HG2 ILE 60 1HG2 ILE 60 -17.923 1.196 3.968 448 2HG2 ILE 60 2HG2 ILE 60 -16.952 1.622 5.376 449 3HG2 ILE 60 3HG2 ILE 60 -16.173 0.988 3.926 450 1HD1 ILE 60 1HD1 ILE 60 -16.349 -2.586 6.478 451 2HD1 ILE 60 2HD1 ILE 60 -14.963 -1.497 6.433 452 3HD1 ILE 60 3HD1 ILE 60 -15.812 -1.782 7.952 453 H ALA 61 H ALA 61 -20.612 0.286 3.862 454 HA ALA 61 HA ALA 61 -19.769 0.333 1.105 455 1HB ALA 61 2HB ALA 61 -22.062 -1.472 1.195 456 2HB ALA 61 3HB ALA 61 -20.521 -1.673 0.362 457 3HB ALA 61 1HB ALA 61 -20.675 -2.139 2.056 458 H GLY 62 H GLY 62 -20.900 2.055 0.268 459 1HA GLY 62 1HA GLY 62 -23.738 2.358 0.476 460 2HA GLY 62 2HA GLY 62 -22.961 3.404 1.664 461 H PHE 63 H PHE 63 -23.820 3.064 -1.629 462 HA PHE 63 HA PHE 63 -22.169 5.470 -2.333 463 1HB PHE 63 1HB PHE 63 -22.273 4.564 -4.640 464 2HB PHE 63 2HB PHE 63 -21.570 3.394 -3.524 465 HD1 PHE 63 HD1 PHE 63 -24.570 4.280 -5.487 466 HD2 PHE 63 HD2 PHE 63 -22.750 1.362 -2.915 467 HE1 PHE 63 HE1 PHE 63 -26.334 2.646 -6.093 468 HE2 PHE 63 HE2 PHE 63 -24.514 -0.272 -3.520 469 HZ PHE 63 HZ PHE 63 -26.307 0.370 -5.109 470 H ALA 64 H ALA 64 -25.365 3.999 -2.345 471 HA ALA 64 HA ALA 64 -26.511 6.643 -3.131 472 1HB ALA 64 2HB ALA 64 -27.264 3.944 -4.301 473 2HB ALA 64 1HB ALA 64 -26.290 5.163 -5.123 474 3HB ALA 64 3HB ALA 64 -27.978 5.497 -4.736 475 H GLU 65 H GLU 65 -28.512 7.067 -2.134 476 HA GLU 65 HA GLU 65 -29.900 4.921 -0.639 477 1HB GLU 65 1HB GLU 65 -28.024 6.859 0.491 478 2HB GLU 65 2HB GLU 65 -29.606 6.938 1.265 479 1HG GLU 65 1HG GLU 65 -29.441 4.809 2.125 480 2HG GLU 65 2HG GLU 65 -28.472 4.225 0.773 481 H ASN 66 H ASN 66 -31.504 5.680 -2.336 482 HA ASN 66 HA ASN 66 -32.633 8.386 -1.931 483 1HB ASN 66 1HB ASN 66 -32.764 6.165 -3.903 484 2HB ASN 66 2HB ASN 66 -34.213 7.162 -3.765 485 2HD2 ASN 66 2HD2 ASN 66 -32.120 7.049 -5.978 486 1HD2 ASN 66 1HD2 ASN 66 -31.582 8.650 -6.145 487 H GLN 67 H GLN 67 -32.997 7.033 0.421 488 HA GLN 67 HA GLN 67 -35.932 6.747 0.525 489 1HB GLN 67 2HB GLN 67 -35.069 4.523 -0.168 490 2HB GLN 67 1HB GLN 67 -35.798 4.459 1.436 491 1HG GLN 67 1HG GLN 67 -32.829 4.770 0.895 492 2HG GLN 67 2HG GLN 67 -33.588 4.608 2.478 493 2HE2 GLN 67 2HE2 GLN 67 -33.058 2.524 3.193 494 1HE2 GLN 67 1HE2 GLN 67 -33.235 1.112 2.267 495 H LYS 68 H LYS 68 -36.418 5.969 2.989 496 HA LYS 68 HA LYS 68 -34.507 7.386 4.811 497 1HB LYS 68 1HB LYS 68 -36.653 8.631 3.945 498 2HB LYS 68 2HB LYS 68 -37.497 7.594 5.096 499 1HG LYS 68 1HG LYS 68 -36.755 8.799 6.858 500 2HG LYS 68 2HG LYS 68 -35.098 8.785 6.256 501 1HD LYS 68 1HD LYS 68 -36.352 10.482 4.480 502 2HD LYS 68 2HD LYS 68 -37.167 10.858 5.998 503 1HE LYS 68 1HE LYS 68 -35.354 12.028 6.685 504 2HE LYS 68 2HE LYS 68 -34.340 10.585 6.498 505 1HZ LYS 68 1HZ LYS 68 -34.342 11.044 4.069 506 2HZ LYS 68 2HZ LYS 68 -35.125 12.520 4.378 507 3HZ LYS 68 3HZ LYS 68 -33.559 12.245 4.976 508 H TYR 69 H TYR 69 -35.074 4.481 4.286 509 HA TYR 69 HA TYR 69 -35.425 2.510 5.543 510 1HB TYR 69 1HB TYR 69 -33.707 3.872 6.849 511 2HB TYR 69 2HB TYR 69 -35.039 4.401 7.878 512 HD1 TYR 69 HD1 TYR 69 -33.878 1.165 6.350 513 HD2 TYR 69 HD2 TYR 69 -35.273 3.215 9.857 514 HE1 TYR 69 HE1 TYR 69 -33.724 -0.945 7.645 515 HE2 TYR 69 HE2 TYR 69 -35.119 1.107 11.152 516 HH TYR 69 HH TYR 69 -34.231 -1.958 9.589 517 H GLY 70 H GLY 70 -37.810 3.007 4.767 518 1HA GLY 70 1HA GLY 70 -40.058 2.631 5.381 519 2HA GLY 70 2HA GLY 70 -39.545 2.571 7.067 No H/Q in entry = 519 Start of MODEL 2 1 H1 MET 1 1H MET 1 -11.242 -7.923 4.058 2 H2 MET 1 2H MET 1 -10.443 -7.792 2.568 3 H3 MET 1 3H MET 1 -11.193 -6.429 3.250 4 HA MET 1 HA MET 1 -12.628 -7.202 1.528 5 1HB MET 1 1HB MET 1 -11.371 -9.470 1.717 6 2HB MET 1 2HB MET 1 -12.607 -9.889 2.904 7 1HG MET 1 1HG MET 1 -14.293 -9.100 1.079 8 2HG MET 1 2HG MET 1 -12.937 -9.293 -0.032 9 1HE MET 1 1HE MET 1 -14.651 -10.449 -1.088 10 2HE MET 1 2HE MET 1 -13.969 -12.040 -1.416 11 3HE MET 1 3HE MET 1 -15.508 -11.894 -0.556 12 H GLU 2 H GLU 2 -14.777 -6.720 1.922 13 HA GLU 2 HA GLU 2 -15.711 -6.152 4.559 14 1HB GLU 2 1HB GLU 2 -17.908 -5.945 3.345 15 2HB GLU 2 2HB GLU 2 -16.587 -5.087 2.552 16 1HG GLU 2 1HG GLU 2 -16.669 -7.819 1.624 17 2HG GLU 2 2HG GLU 2 -18.255 -7.076 1.426 18 H ILE 3 H ILE 3 -15.560 -7.998 5.929 19 HA ILE 3 HA ILE 3 -17.580 -10.127 5.373 20 HB ILE 3 HB ILE 3 -14.754 -10.629 6.352 21 1HG1 ILE 3 1HG1 ILE 3 -14.774 -9.782 4.002 22 2HG1 ILE 3 2HG1 ILE 3 -14.251 -11.462 4.106 23 1HG2 ILE 3 1HG2 ILE 3 -17.162 -12.295 5.800 24 2HG2 ILE 3 2HG2 ILE 3 -15.594 -12.975 5.362 25 3HG2 ILE 3 3HG2 ILE 3 -15.913 -12.496 7.029 26 1HD1 ILE 3 1HD1 ILE 3 -17.155 -11.196 3.816 27 2HD1 ILE 3 2HD1 ILE 3 -16.265 -10.505 2.459 28 3HD1 ILE 3 3HD1 ILE 3 -16.024 -12.194 2.904 29 H ASP 4 H ASP 4 -18.049 -11.375 7.430 30 HA ASP 4 HA ASP 4 -17.406 -9.812 9.900 31 1HB ASP 4 1HB ASP 4 -19.558 -9.072 8.992 32 2HB ASP 4 2HB ASP 4 -20.116 -10.743 8.929 33 H GLU 5 H GLU 5 -17.229 -12.771 8.461 34 HA GLU 5 HA GLU 5 -18.115 -14.393 10.768 35 1HB GLU 5 1HB GLU 5 -17.993 -14.723 8.027 36 2HB GLU 5 2HB GLU 5 -16.592 -15.642 8.578 37 1HG GLU 5 1HG GLU 5 -17.943 -17.308 9.251 38 2HG GLU 5 2HG GLU 5 -18.775 -16.199 10.342 39 H GLY 6 H GLY 6 -15.932 -16.358 10.275 40 1HA GLY 6 1HA GLY 6 -13.878 -15.046 11.957 41 2HA GLY 6 2HA GLY 6 -14.025 -16.779 11.683 42 H LYS 7 H LYS 7 -14.147 -14.427 9.066 43 HA LYS 7 HA LYS 7 -11.927 -15.770 7.714 44 1HB LYS 7 1HB LYS 7 -14.090 -13.881 7.159 45 2HB LYS 7 2HB LYS 7 -12.593 -13.431 6.344 46 1HG LYS 7 2HG LYS 7 -12.752 -16.199 6.003 47 2HG LYS 7 1HG LYS 7 -13.108 -14.979 4.782 48 1HD LYS 7 1HD LYS 7 -14.921 -16.793 6.100 49 2HD LYS 7 2HD LYS 7 -15.392 -15.131 6.456 50 1HE LYS 7 1HE LYS 7 -15.075 -14.714 3.905 51 2HE LYS 7 2HE LYS 7 -15.151 -16.481 3.763 52 1HZ LYS 7 1HZ LYS 7 -17.128 -14.874 5.293 53 2HZ LYS 7 2HZ LYS 7 -17.359 -15.313 3.668 54 3HZ LYS 7 3HZ LYS 7 -17.239 -16.512 4.867 55 H TYR 8 H TYR 8 -9.802 -15.123 7.798 56 HA TYR 8 HA TYR 8 -9.208 -12.504 9.134 57 1HB TYR 8 1HB TYR 8 -7.868 -15.193 8.954 58 2HB TYR 8 2HB TYR 8 -6.900 -13.765 9.318 59 HD1 TYR 8 HD1 TYR 8 -10.300 -15.019 10.303 60 HD2 TYR 8 HD2 TYR 8 -6.499 -13.477 11.592 61 HE1 TYR 8 HE1 TYR 8 -11.065 -15.116 12.659 62 HE2 TYR 8 HE2 TYR 8 -7.267 -13.578 13.952 63 HH TYR 8 HH TYR 8 -9.204 -15.158 15.191 64 H GLU 9 H GLU 9 -7.883 -11.020 8.049 65 HA GLU 9 HA GLU 9 -7.252 -11.687 5.206 66 1HB GLU 9 1HB GLU 9 -8.755 -9.803 5.589 67 2HB GLU 9 2HB GLU 9 -7.608 -9.078 6.715 68 1HG GLU 9 1HG GLU 9 -6.320 -8.238 5.043 69 2HG GLU 9 2HG GLU 9 -6.459 -9.707 4.077 70 H CYS 10 H CYS 10 -5.116 -11.863 4.628 71 HA CYS 10 HA CYS 10 -2.993 -11.660 6.588 72 1HB CYS 10 1HB CYS 10 -3.266 -13.089 4.424 73 2HB CYS 10 2HB CYS 10 -2.674 -11.659 3.600 74 H GLU 11 H GLU 11 -2.216 -9.688 7.283 75 HA GLU 11 HA GLU 11 -2.581 -7.226 5.789 76 1HB GLU 11 1HB GLU 11 -1.696 -8.150 8.354 77 2HB GLU 11 2HB GLU 11 -0.467 -7.065 7.707 78 1HG GLU 11 1HG GLU 11 -2.634 -5.620 7.077 79 2HG GLU 11 2HG GLU 11 -3.298 -6.490 8.458 80 H ALA 12 H ALA 12 -0.365 -9.822 5.527 81 HA ALA 12 HA ALA 12 1.912 -8.244 4.571 82 1HB ALA 12 1HB ALA 12 1.530 -10.689 5.747 83 2HB ALA 12 3HB ALA 12 3.010 -10.205 4.919 84 3HB ALA 12 2HB ALA 12 1.788 -11.147 4.063 85 H CYS 13 H CYS 13 -0.563 -10.394 3.065 86 HA CYS 13 HA CYS 13 0.387 -9.316 0.435 87 1HB CYS 13 2HB CYS 13 0.905 -11.733 1.044 88 2HB CYS 13 1HB CYS 13 0.077 -11.499 -0.490 89 H GLY 14 H GLY 14 -2.428 -10.254 2.364 90 1HA GLY 14 1HA GLY 14 -4.463 -8.864 2.116 91 2HA GLY 14 2HA GLY 14 -4.108 -8.758 0.392 92 H TYR 15 H TYR 15 -3.664 -11.783 2.024 93 HA TYR 15 HA TYR 15 -5.698 -13.054 0.328 94 1HB TYR 15 1HB TYR 15 -3.573 -14.149 0.635 95 2HB TYR 15 2HB TYR 15 -3.669 -13.977 2.386 96 HD1 TYR 15 HD1 TYR 15 -4.907 -15.835 -0.547 97 HD2 TYR 15 HD2 TYR 15 -5.115 -15.416 3.722 98 HE1 TYR 15 HE1 TYR 15 -6.054 -18.029 -0.388 99 HE2 TYR 15 HE2 TYR 15 -6.261 -17.608 3.884 100 HH TYR 15 HH TYR 15 -6.844 -19.472 2.760 101 H ILE 16 H ILE 16 -7.252 -14.633 1.466 102 HA ILE 16 HA ILE 16 -8.180 -13.500 4.085 103 HB ILE 16 HB ILE 16 -9.742 -14.284 1.606 104 1HG1 ILE 16 1HG1 ILE 16 -8.615 -12.061 1.601 105 2HG1 ILE 16 2HG1 ILE 16 -10.373 -11.926 1.572 106 1HG2 ILE 16 1HG2 ILE 16 -10.749 -13.374 4.321 107 2HG2 ILE 16 2HG2 ILE 16 -11.749 -13.616 2.889 108 3HG2 ILE 16 3HG2 ILE 16 -10.941 -14.990 3.644 109 1HD1 ILE 16 1HD1 ILE 16 -9.570 -12.045 4.304 110 2HD1 ILE 16 2HD1 ILE 16 -8.535 -10.864 3.502 111 3HD1 ILE 16 3HD1 ILE 16 -10.288 -10.681 3.445 112 H TYR 17 H TYR 17 -8.029 -15.105 5.581 113 HA TYR 17 HA TYR 17 -7.942 -17.931 4.804 114 1HB TYR 17 1HB TYR 17 -6.524 -17.184 6.595 115 2HB TYR 17 2HB TYR 17 -7.867 -16.390 7.414 116 HD1 TYR 17 HD1 TYR 17 -6.670 -19.758 6.288 117 HD2 TYR 17 HD2 TYR 17 -9.126 -17.551 9.042 118 HE1 TYR 17 HE1 TYR 17 -7.170 -21.849 7.525 119 HE2 TYR 17 HE2 TYR 17 -9.626 -19.644 10.264 120 HH TYR 17 HH TYR 17 -9.008 -22.696 9.033 121 H GLU 18 H GLU 18 -9.698 -19.267 4.720 122 HA GLU 18 HA GLU 18 -12.307 -18.262 5.778 123 1HB GLU 18 1HB GLU 18 -11.583 -20.425 3.774 124 2HB GLU 18 2HB GLU 18 -13.225 -19.917 4.171 125 1HG GLU 18 1HG GLU 18 -12.998 -17.875 3.094 126 2HG GLU 18 2HG GLU 18 -11.251 -17.830 3.323 127 HA PRO 19 HA PRO 19 -11.419 -21.394 8.913 128 1HB PRO 19 1HB PRO 19 -13.533 -20.745 10.537 129 2HB PRO 19 2HB PRO 19 -11.983 -19.891 10.549 130 1HG PRO 19 1HG PRO 19 -14.558 -19.121 9.268 131 2HG PRO 19 2HG PRO 19 -13.357 -18.115 10.085 132 1HD PRO 19 1HD PRO 19 -13.581 -18.292 7.369 133 2HD PRO 19 2HD PRO 19 -12.061 -17.916 8.206 134 H GLU 20 H GLU 20 -14.928 -20.891 8.806 135 HA GLU 20 HA GLU 20 -15.774 -23.522 8.962 136 1HB GLU 20 1HB GLU 20 -17.808 -22.676 7.782 137 2HB GLU 20 2HB GLU 20 -17.233 -21.562 9.023 138 1HG GLU 20 1HG GLU 20 -17.281 -19.992 7.389 139 2HG GLU 20 2HG GLU 20 -15.813 -20.762 6.791 140 H LYS 21 H LYS 21 -14.388 -21.925 6.157 141 HA LYS 21 HA LYS 21 -15.169 -24.100 4.326 142 1HB LYS 21 1HB LYS 21 -14.725 -21.429 4.060 143 2HB LYS 21 2HB LYS 21 -13.159 -22.063 3.552 144 1HG LYS 21 1HG LYS 21 -14.524 -23.692 2.075 145 2HG LYS 21 2HG LYS 21 -15.881 -22.602 2.361 146 1HD LYS 21 1HD LYS 21 -14.631 -20.732 1.427 147 2HD LYS 21 2HD LYS 21 -13.192 -21.736 1.257 148 1HE LYS 21 1HE LYS 21 -14.142 -21.780 -0.916 149 2HE LYS 21 2HE LYS 21 -14.751 -23.279 -0.189 150 1HZ LYS 21 1HZ LYS 21 -16.149 -20.650 -0.126 151 2HZ LYS 21 2HZ LYS 21 -16.543 -21.928 -1.175 152 3HZ LYS 21 3HZ LYS 21 -16.740 -22.114 0.500 153 H GLY 22 H GLY 22 -12.253 -22.948 5.992 154 1HA GLY 22 1HA GLY 22 -10.447 -24.400 6.643 155 2HA GLY 22 2HA GLY 22 -11.011 -25.585 5.465 156 H ASP 23 H ASP 23 -8.311 -24.306 5.873 157 HA ASP 23 HA ASP 23 -7.903 -22.661 3.471 158 1HB ASP 23 1HB ASP 23 -6.739 -22.846 5.931 159 2HB ASP 23 2HB ASP 23 -5.624 -23.813 4.973 160 H LYS 24 H LYS 24 -8.900 -24.805 2.359 161 HA LYS 24 HA LYS 24 -7.489 -27.176 1.956 162 1HB LYS 24 1HB LYS 24 -9.585 -25.705 0.756 163 2HB LYS 24 2HB LYS 24 -8.483 -26.131 -0.552 164 1HG LYS 24 1HG LYS 24 -8.770 -28.400 1.185 165 2HG LYS 24 2HG LYS 24 -10.375 -27.812 0.750 166 1HD LYS 24 1HD LYS 24 -8.227 -28.151 -1.341 167 2HD LYS 24 2HD LYS 24 -9.229 -29.514 -0.843 168 1HE LYS 24 1HE LYS 24 -11.131 -28.640 -1.822 169 2HE LYS 24 2HE LYS 24 -10.641 -26.963 -1.514 170 1HZ LYS 24 1HZ LYS 24 -8.771 -27.407 -3.129 171 2HZ LYS 24 2HZ LYS 24 -9.584 -28.832 -3.567 172 3HZ LYS 24 3HZ LYS 24 -10.319 -27.320 -3.817 173 H PHE 25 H PHE 25 -6.667 -23.965 0.801 174 HA PHE 25 HA PHE 25 -4.735 -24.825 -1.197 175 1HB PHE 25 1HB PHE 25 -5.820 -22.374 -0.008 176 2HB PHE 25 2HB PHE 25 -4.102 -22.240 -0.381 177 HD1 PHE 25 HD1 PHE 25 -3.658 -23.766 -2.747 178 HD2 PHE 25 HD2 PHE 25 -7.100 -21.419 -1.703 179 HE1 PHE 25 HE1 PHE 25 -4.204 -23.497 -5.151 180 HE2 PHE 25 HE2 PHE 25 -7.647 -21.150 -4.107 181 HZ PHE 25 HZ PHE 25 -6.199 -22.190 -5.831 182 H ALA 26 H ALA 26 -4.700 -24.449 2.262 183 HA ALA 26 HA ALA 26 -1.711 -24.552 2.309 184 1HB ALA 26 2HB ALA 26 -2.044 -23.826 4.668 185 2HB ALA 26 1HB ALA 26 -3.789 -23.897 4.422 186 3HB ALA 26 3HB ALA 26 -2.820 -22.724 3.530 187 H GLY 27 H GLY 27 -4.647 -26.208 3.369 188 1HA GLY 27 1HA GLY 27 -4.332 -28.748 3.347 189 2HA GLY 27 2HA GLY 27 -2.936 -28.445 4.378 190 H ILE 28 H ILE 28 -6.000 -26.684 4.659 191 HA ILE 28 HA ILE 28 -6.441 -28.096 7.269 192 HB ILE 28 HB ILE 28 -6.562 -25.183 6.466 193 1HG1 ILE 28 1HG1 ILE 28 -5.400 -25.870 9.039 194 2HG1 ILE 28 2HG1 ILE 28 -4.658 -26.804 7.740 195 1HG2 ILE 28 1HG2 ILE 28 -8.075 -26.609 8.604 196 2HG2 ILE 28 2HG2 ILE 28 -7.312 -25.082 9.052 197 3HG2 ILE 28 3HG2 ILE 28 -8.484 -25.129 7.734 198 1HD1 ILE 28 1HD1 ILE 28 -4.652 -24.443 6.517 199 2HD1 ILE 28 2HD1 ILE 28 -4.685 -23.843 8.174 200 3HD1 ILE 28 3HD1 ILE 28 -3.366 -24.883 7.638 201 HA PRO 29 HA PRO 29 -10.376 -28.925 5.325 202 1HB PRO 29 1HB PRO 29 -11.594 -30.087 7.485 203 2HB PRO 29 2HB PRO 29 -10.401 -30.929 6.479 204 1HG PRO 29 2HG PRO 29 -9.359 -31.121 8.523 205 2HG PRO 29 1HG PRO 29 -10.064 -29.618 9.134 206 1HD PRO 29 1HD PRO 29 -8.003 -28.754 8.654 207 2HD PRO 29 2HD PRO 29 -7.637 -30.033 7.478 208 HA PRO 30 HA PRO 30 -13.076 -25.719 6.682 209 1HB PRO 30 1HB PRO 30 -15.567 -26.833 6.602 210 2HB PRO 30 2HB PRO 30 -14.648 -26.427 5.139 211 1HG PRO 30 2HG PRO 30 -15.004 -28.674 4.763 212 2HG PRO 30 1HG PRO 30 -15.007 -29.056 6.491 213 1HD PRO 30 1HD PRO 30 -12.868 -29.763 6.057 214 2HD PRO 30 2HD PRO 30 -12.707 -28.711 4.635 215 H GLY 31 H GLY 31 -15.364 -25.707 8.195 216 1HA GLY 31 1HA GLY 31 -16.006 -25.620 10.457 217 2HA GLY 31 2HA GLY 31 -15.585 -27.332 10.457 218 H THR 32 H THR 32 -13.167 -24.872 9.791 219 HA THR 32 HA THR 32 -12.008 -25.349 12.519 220 HB THR 32 HB THR 32 -10.388 -24.956 10.006 221 HG1 THR 32 HG1 THR 32 -10.646 -26.993 9.487 222 1HG2 THR 32 1HG2 THR 32 -9.692 -25.089 12.647 223 2HG2 THR 32 2HG2 THR 32 -9.531 -26.777 12.162 224 3HG2 THR 32 3HG2 THR 32 -8.622 -25.526 11.315 225 HA PRO 33 HA PRO 33 -12.302 -20.845 12.222 226 1HB PRO 33 1HB PRO 33 -11.732 -20.367 14.859 227 2HB PRO 33 2HB PRO 33 -13.343 -20.837 14.285 228 1HG PRO 33 1HG PRO 33 -11.217 -22.500 15.551 229 2HG PRO 33 2HG PRO 33 -12.968 -22.533 15.801 230 1HD PRO 33 1HD PRO 33 -11.646 -24.340 14.252 231 2HD PRO 33 2HD PRO 33 -13.331 -23.859 13.960 232 H PHE 34 H PHE 34 -10.679 -19.169 12.260 233 HA PHE 34 HA PHE 34 -8.027 -19.913 11.632 234 1HB PHE 34 1HB PHE 34 -8.880 -17.779 10.994 235 2HB PHE 34 2HB PHE 34 -9.339 -17.378 12.638 236 HD1 PHE 34 HD1 PHE 34 -6.548 -17.629 10.249 237 HD2 PHE 34 HD2 PHE 34 -7.667 -16.653 14.281 238 HE1 PHE 34 HE1 PHE 34 -4.344 -16.547 10.599 239 HE2 PHE 34 HE2 PHE 34 -5.463 -15.570 14.630 240 HZ PHE 34 HZ PHE 34 -3.801 -15.519 12.789 241 H VAL 35 H VAL 35 -9.523 -19.335 14.766 242 HA VAL 35 HA VAL 35 -7.135 -18.991 16.315 243 HB VAL 35 HB VAL 35 -8.665 -19.606 18.175 244 1HG1 VAL 35 1HG1 VAL 35 -9.833 -17.859 15.992 245 2HG1 VAL 35 2HG1 VAL 35 -10.454 -17.914 17.640 246 3HG1 VAL 35 3HG1 VAL 35 -8.815 -17.341 17.335 247 1HG2 VAL 35 1HG2 VAL 35 -9.901 -21.135 16.128 248 2HG2 VAL 35 2HG2 VAL 35 -10.370 -21.030 17.825 249 3HG2 VAL 35 3HG2 VAL 35 -11.077 -19.926 16.645 250 H ASP 36 H ASP 36 -8.563 -21.787 14.822 251 HA ASP 36 HA ASP 36 -7.115 -23.701 16.551 252 1HB ASP 36 1HB ASP 36 -9.186 -23.730 14.402 253 2HB ASP 36 2HB ASP 36 -8.219 -25.191 14.608 254 H LEU 37 H LEU 37 -6.469 -21.894 13.703 255 HA LEU 37 HA LEU 37 -4.993 -23.633 12.063 256 1HB LEU 37 1HB LEU 37 -4.729 -20.725 12.832 257 2HB LEU 37 2HB LEU 37 -3.641 -21.448 11.647 258 HG LEU 37 HG LEU 37 -6.674 -21.387 11.485 259 1HD1 LEU 37 1HD1 LEU 37 -5.018 -19.323 10.976 260 2HD1 LEU 37 2HD1 LEU 37 -4.904 -20.161 9.428 261 3HD1 LEU 37 3HD1 LEU 37 -6.474 -19.623 10.028 262 1HD2 LEU 37 1HD2 LEU 37 -4.693 -23.077 10.219 263 2HD2 LEU 37 2HD2 LEU 37 -6.450 -23.130 10.075 264 3HD2 LEU 37 3HD2 LEU 37 -5.508 -22.083 9.012 265 H SER 38 H SER 38 -2.667 -24.030 11.955 266 HA SER 38 HA SER 38 -1.479 -24.861 14.415 267 1HB SER 38 1HB SER 38 -1.090 -25.276 11.757 268 2HB SER 38 2HB SER 38 0.254 -24.185 12.097 269 HG SER 38 HG SER 38 0.493 -26.593 12.432 270 H ASP 39 H ASP 39 -0.066 -23.795 15.806 271 HA ASP 39 HA ASP 39 -0.028 -21.007 16.082 272 1HB ASP 39 1HB ASP 39 0.684 -22.755 17.728 273 2HB ASP 39 2HB ASP 39 2.164 -22.983 16.794 274 H SER 40 H SER 40 1.869 -23.017 13.929 275 HA SER 40 HA SER 40 3.499 -20.628 13.133 276 1HB SER 40 1HB SER 40 4.145 -23.285 13.815 277 2HB SER 40 2HB SER 40 4.357 -23.189 12.067 278 HG SER 40 HG SER 40 6.215 -22.555 13.343 279 H PHE 41 H PHE 41 0.687 -21.424 12.247 280 HA PHE 41 HA PHE 41 0.655 -22.513 9.637 281 1HB PHE 41 1HB PHE 41 -1.401 -22.200 10.745 282 2HB PHE 41 2HB PHE 41 -1.028 -20.548 11.194 283 HD1 PHE 41 HD1 PHE 41 -1.958 -22.756 8.345 284 HD2 PHE 41 HD2 PHE 41 -1.543 -18.715 9.745 285 HE1 PHE 41 HE1 PHE 41 -3.150 -21.933 6.332 286 HE2 PHE 41 HE2 PHE 41 -2.735 -17.895 7.733 287 HZ PHE 41 HZ PHE 41 -3.539 -19.504 6.026 288 H MET 42 H MET 42 1.346 -21.715 7.680 289 HA MET 42 HA MET 42 2.258 -18.857 7.591 290 1HB MET 42 1HB MET 42 3.130 -21.134 5.790 291 2HB MET 42 2HB MET 42 3.944 -19.596 6.057 292 1HG MET 42 1HG MET 42 3.875 -20.540 8.603 293 2HG MET 42 2HG MET 42 3.972 -22.058 7.712 294 1HE MET 42 1HE MET 42 5.806 -21.166 9.738 295 2HE MET 42 2HE MET 42 6.627 -22.464 8.873 296 3HE MET 42 3HE MET 42 7.472 -20.946 9.207 297 H CYS 43 H CYS 43 1.626 -17.614 5.765 298 HA CYS 43 HA CYS 43 -0.913 -18.100 4.606 299 1HB CYS 43 1HB CYS 43 0.555 -15.976 4.810 300 2HB CYS 43 2HB CYS 43 1.306 -16.526 3.313 301 HA PRO 44 HA PRO 44 0.346 -21.022 1.477 302 1HB PRO 44 1HB PRO 44 -2.057 -21.224 0.191 303 2HB PRO 44 2HB PRO 44 -1.720 -22.025 1.737 304 1HG PRO 44 1HG PRO 44 -3.280 -19.567 1.171 305 2HG PRO 44 2HG PRO 44 -3.526 -20.800 2.413 306 1HD PRO 44 1HD PRO 44 -2.376 -18.308 2.826 307 2HD PRO 44 2HD PRO 44 -2.202 -19.709 3.903 308 H ALA 45 H ALA 45 -0.316 -17.763 1.093 309 HA ALA 45 HA ALA 45 0.103 -17.896 -1.867 310 1HB ALA 45 3HB ALA 45 -2.009 -16.950 -1.570 311 2HB ALA 45 1HB ALA 45 -1.555 -16.180 -0.049 312 3HB ALA 45 2HB ALA 45 -0.993 -15.508 -1.580 313 H CYS 46 H CYS 46 0.988 -16.229 1.153 314 HA CYS 46 HA CYS 46 3.326 -15.093 -0.330 315 1HB CYS 46 1HB CYS 46 2.908 -12.998 0.555 316 2HB CYS 46 2HB CYS 46 1.266 -13.617 0.457 317 H ARG 47 H ARG 47 2.556 -17.342 1.923 318 HA ARG 47 HA ARG 47 3.845 -18.502 3.526 319 1HB ARG 47 1HB ARG 47 5.535 -17.463 1.573 320 2HB ARG 47 2HB ARG 47 6.294 -16.966 3.086 321 1HG ARG 47 2HG ARG 47 5.471 -19.619 3.514 322 2HG ARG 47 1HG ARG 47 7.121 -19.053 3.264 323 1HD ARG 47 1HD ARG 47 5.462 -19.383 0.809 324 2HD ARG 47 2HD ARG 47 7.171 -19.778 1.081 325 HE ARG 47 HE ARG 47 5.767 -21.528 2.741 326 1HH1 ARG 47 1HH1 ARG 47 7.393 -22.145 0.157 327 2HH1 ARG 47 2HH1 ARG 47 6.234 -23.101 -0.705 328 1HH2 ARG 47 1HH2 ARG 47 3.569 -22.163 1.306 329 2HH2 ARG 47 2HH2 ARG 47 4.070 -23.112 -0.055 330 H SER 48 H SER 48 2.731 -15.582 4.085 331 HA SER 48 HA SER 48 4.497 -14.484 6.097 332 1HB SER 48 1HB SER 48 2.929 -13.008 5.131 333 2HB SER 48 2HB SER 48 1.606 -14.163 5.298 334 HG SER 48 HG SER 48 1.309 -13.556 7.292 335 HA PRO 49 HA PRO 49 3.516 -17.162 9.452 336 1HB PRO 49 1HB PRO 49 3.853 -15.466 11.575 337 2HB PRO 49 2HB PRO 49 5.208 -16.130 10.642 338 1HG PRO 49 1HG PRO 49 3.926 -13.443 10.485 339 2HG PRO 49 2HG PRO 49 5.635 -13.883 10.371 340 1HD PRO 49 1HD PRO 49 4.070 -13.303 8.207 341 2HD PRO 49 2HD PRO 49 5.483 -14.376 8.136 342 H LYS 50 H LYS 50 1.699 -17.717 10.720 343 HA LYS 50 HA LYS 50 -0.820 -16.588 10.192 344 1HB LYS 50 1HB LYS 50 -0.283 -18.818 11.215 345 2HB LYS 50 2HB LYS 50 0.114 -17.988 12.720 346 1HG LYS 50 1HG LYS 50 -2.199 -17.036 12.751 347 2HG LYS 50 2HG LYS 50 -2.579 -18.001 11.324 348 1HD LYS 50 1HD LYS 50 -2.517 -20.004 12.495 349 2HD LYS 50 2HD LYS 50 -1.394 -19.381 13.705 350 1HE LYS 50 1HE LYS 50 -4.151 -18.189 13.529 351 2HE LYS 50 2HE LYS 50 -3.923 -19.737 14.364 352 1HZ LYS 50 1HZ LYS 50 -2.111 -17.449 14.848 353 2HZ LYS 50 2HZ LYS 50 -3.570 -17.592 15.705 354 3HZ LYS 50 3HZ LYS 50 -2.387 -18.805 15.829 355 H ASN 51 H ASN 51 1.553 -15.683 12.645 356 HA ASN 51 HA ASN 51 -0.132 -14.017 14.246 357 1HB ASN 51 1HB ASN 51 2.510 -14.852 14.171 358 2HB ASN 51 2HB ASN 51 2.642 -13.123 13.849 359 2HD2 ASN 51 2HD2 ASN 51 1.070 -11.780 15.429 360 1HD2 ASN 51 1HD2 ASN 51 1.133 -12.251 17.058 361 H GLN 52 H GLN 52 1.029 -13.645 11.020 362 HA GLN 52 HA GLN 52 0.791 -10.697 11.047 363 1HB GLN 52 1HB GLN 52 2.197 -12.685 9.609 364 2HB GLN 52 2HB GLN 52 1.082 -11.953 8.457 365 1HG GLN 52 1HG GLN 52 2.466 -10.036 10.227 366 2HG GLN 52 2HG GLN 52 3.517 -10.896 9.102 367 2HE2 GLN 52 2HE2 GLN 52 0.135 -9.689 8.790 368 1HE2 GLN 52 1HE2 GLN 52 0.428 -8.797 7.382 369 H PHE 53 H PHE 53 -1.420 -13.169 11.005 370 HA PHE 53 HA PHE 53 -3.111 -12.078 8.824 371 1HB PHE 53 1HB PHE 53 -3.181 -14.436 10.707 372 2HB PHE 53 2HB PHE 53 -4.599 -14.002 9.758 373 HD1 PHE 53 HD1 PHE 53 -0.902 -14.490 9.302 374 HD2 PHE 53 HD2 PHE 53 -4.840 -14.933 7.644 375 HE1 PHE 53 HE1 PHE 53 0.059 -15.626 7.318 376 HE2 PHE 53 HE2 PHE 53 -3.879 -16.069 5.661 377 HZ PHE 53 HZ PHE 53 -1.429 -16.416 5.497 378 H LYS 54 H LYS 54 -4.686 -10.581 9.243 379 HA LYS 54 HA LYS 54 -5.442 -10.106 12.101 380 1HB LYS 54 1HB LYS 54 -4.340 -8.382 10.386 381 2HB LYS 54 2HB LYS 54 -6.015 -8.188 9.870 382 1HG LYS 54 1HG LYS 54 -6.507 -6.972 11.703 383 2HG LYS 54 2HG LYS 54 -5.824 -8.203 12.765 384 1HD LYS 54 1HD LYS 54 -3.525 -7.232 11.897 385 2HD LYS 54 2HD LYS 54 -4.499 -5.804 11.544 386 1HE LYS 54 1HE LYS 54 -5.385 -6.269 14.037 387 2HE LYS 54 2HE LYS 54 -3.774 -6.997 14.187 388 1HZ LYS 54 1HZ LYS 54 -4.359 -4.291 13.088 389 2HZ LYS 54 2HZ LYS 54 -3.718 -4.602 14.629 390 3HZ LYS 54 3HZ LYS 54 -2.819 -4.987 13.241 391 H SER 55 H SER 55 -7.584 -10.367 12.667 392 HA SER 55 HA SER 55 -9.388 -11.737 10.897 393 1HB SER 55 1HB SER 55 -10.961 -11.400 12.786 394 2HB SER 55 2HB SER 55 -9.387 -11.951 13.335 395 HG SER 55 HG SER 55 -10.653 -9.556 13.745 396 H ILE 56 H ILE 56 -11.757 -10.763 10.865 397 HA ILE 56 HA ILE 56 -11.900 -7.871 10.346 398 HB ILE 56 HB ILE 56 -10.829 -8.771 8.315 399 1HG1 ILE 56 1HG1 ILE 56 -12.507 -7.989 6.660 400 2HG1 ILE 56 2HG1 ILE 56 -13.744 -8.033 7.916 401 1HG2 ILE 56 1HG2 ILE 56 -12.656 -10.925 8.782 402 2HG2 ILE 56 2HG2 ILE 56 -12.986 -10.256 7.184 403 3HG2 ILE 56 3HG2 ILE 56 -11.367 -10.829 7.583 404 1HD1 ILE 56 1HD1 ILE 56 -11.431 -6.579 8.858 405 2HD1 ILE 56 2HD1 ILE 56 -11.985 -5.902 7.327 406 3HD1 ILE 56 3HD1 ILE 56 -13.095 -6.019 8.693 407 H LYS 57 H LYS 57 -13.601 -8.088 11.958 408 HA LYS 57 HA LYS 57 -15.978 -9.703 11.171 409 1HB LYS 57 1HB LYS 57 -16.628 -9.254 13.536 410 2HB LYS 57 2HB LYS 57 -15.034 -9.997 13.415 411 1HG LYS 57 1HG LYS 57 -13.950 -8.102 14.118 412 2HG LYS 57 2HG LYS 57 -15.108 -7.027 13.335 413 1HD LYS 57 1HD LYS 57 -16.009 -8.677 15.672 414 2HD LYS 57 2HD LYS 57 -15.054 -7.225 15.970 415 1HE LYS 57 1HE LYS 57 -16.684 -5.865 14.732 416 2HE LYS 57 2HE LYS 57 -17.624 -7.318 14.343 417 1HZ LYS 57 1HZ LYS 57 -17.758 -7.756 16.761 418 2HZ LYS 57 2HZ LYS 57 -17.009 -6.261 17.055 419 3HZ LYS 57 3HZ LYS 57 -18.535 -6.313 16.315 420 H LYS 58 H LYS 58 -16.074 -7.770 9.424 421 HA LYS 58 HA LYS 58 -18.325 -6.111 10.169 422 1HB LYS 58 1HB LYS 58 -16.264 -5.121 11.359 423 2HB LYS 58 2HB LYS 58 -15.718 -4.636 9.755 424 1HG LYS 58 1HG LYS 58 -17.416 -3.085 9.497 425 2HG LYS 58 2HG LYS 58 -18.526 -3.971 10.544 426 1HD LYS 58 1HD LYS 58 -16.495 -3.329 12.284 427 2HD LYS 58 2HD LYS 58 -16.535 -1.913 11.233 428 1HE LYS 58 1HE LYS 58 -18.942 -1.634 11.658 429 2HE LYS 58 2HE LYS 58 -18.947 -3.097 12.660 430 1HZ LYS 58 1HZ LYS 58 -17.082 -1.996 13.939 431 2HZ LYS 58 2HZ LYS 58 -17.484 -0.558 13.134 432 3HZ LYS 58 3HZ LYS 58 -18.623 -1.310 14.146 433 H VAL 59 H VAL 59 -19.077 -4.832 8.333 434 HA VAL 59 HA VAL 59 -17.946 -5.786 5.739 435 HB VAL 59 HB VAL 59 -20.191 -5.166 4.897 436 1HG1 VAL 59 1HG1 VAL 59 -20.012 -6.859 7.393 437 2HG1 VAL 59 2HG1 VAL 59 -21.512 -6.715 6.477 438 3HG1 VAL 59 3HG1 VAL 59 -20.074 -7.394 5.714 439 1HG2 VAL 59 1HG2 VAL 59 -20.186 -3.499 7.176 440 2HG2 VAL 59 2HG2 VAL 59 -21.493 -3.699 6.008 441 3HG2 VAL 59 3HG2 VAL 59 -21.449 -4.698 7.461 442 H ILE 60 H ILE 60 -18.415 -4.012 3.930 443 HA ILE 60 HA ILE 60 -17.269 -1.430 4.935 444 HB ILE 60 HB ILE 60 -17.138 -2.801 2.228 445 1HG1 ILE 60 1HG1 ILE 60 -15.856 -3.953 4.006 446 2HG1 ILE 60 2HG1 ILE 60 -14.783 -3.208 2.823 447 1HG2 ILE 60 1HG2 ILE 60 -17.022 -0.338 2.073 448 2HG2 ILE 60 2HG2 ILE 60 -15.732 -0.325 3.276 449 3HG2 ILE 60 3HG2 ILE 60 -15.460 -1.070 1.700 450 1HD1 ILE 60 1HD1 ILE 60 -15.262 -1.204 4.732 451 2HD1 ILE 60 2HD1 ILE 60 -15.019 -2.678 5.669 452 3HD1 ILE 60 3HD1 ILE 60 -13.779 -2.138 4.536 453 H ALA 61 H ALA 61 -19.126 -2.504 2.060 454 HA ALA 61 HA ALA 61 -20.587 0.064 2.041 455 1HB ALA 61 1HB ALA 61 -20.268 -2.342 0.260 456 2HB ALA 61 2HB ALA 61 -21.577 -1.199 -0.041 457 3HB ALA 61 3HB ALA 61 -19.901 -0.652 -0.088 458 H GLY 62 H GLY 62 -21.460 -0.902 4.316 459 1HA GLY 62 1HA GLY 62 -23.847 -2.609 3.800 460 2HA GLY 62 2HA GLY 62 -23.143 -2.303 5.388 461 H PHE 63 H PHE 63 -25.604 -1.390 3.256 462 HA PHE 63 HA PHE 63 -25.906 1.352 4.323 463 1HB PHE 63 1HB PHE 63 -27.277 -0.400 2.285 464 2HB PHE 63 2HB PHE 63 -27.997 1.129 2.788 465 HD1 PHE 63 HD1 PHE 63 -26.719 3.269 2.485 466 HD2 PHE 63 HD2 PHE 63 -25.361 -0.464 0.853 467 HE1 PHE 63 HE1 PHE 63 -25.180 4.492 0.973 468 HE2 PHE 63 HE2 PHE 63 -23.822 0.758 -0.660 469 HZ PHE 63 HZ PHE 63 -23.732 3.236 -0.600 470 H ALA 64 H ALA 64 -26.073 -0.057 6.542 471 HA ALA 64 HA ALA 64 -28.740 -1.159 7.061 472 1HB ALA 64 1HB ALA 64 -26.168 -0.686 8.526 473 2HB ALA 64 3HB ALA 64 -27.070 -2.187 8.314 474 3HB ALA 64 2HB ALA 64 -27.626 -0.981 9.474 475 H GLU 65 H GLU 65 -27.204 1.959 7.259 476 HA GLU 65 HA GLU 65 -29.279 3.020 9.104 477 1HB GLU 65 1HB GLU 65 -26.610 3.444 8.856 478 2HB GLU 65 2HB GLU 65 -27.220 4.758 7.849 479 1HG GLU 65 2HG GLU 65 -28.868 5.106 9.904 480 2HG GLU 65 1HG GLU 65 -27.245 5.793 9.923 481 H ASN 66 H ASN 66 -28.215 3.242 5.731 482 HA ASN 66 HA ASN 66 -30.197 5.339 5.104 483 1HB ASN 66 1HB ASN 66 -27.727 4.622 4.155 484 2HB ASN 66 2HB ASN 66 -28.785 3.892 2.948 485 2HD2 ASN 66 2HD2 ASN 66 -27.163 6.729 3.616 486 1HD2 ASN 66 1HD2 ASN 66 -28.144 7.818 2.759 487 H GLN 67 H GLN 67 -32.284 4.795 4.621 488 HA GLN 67 HA GLN 67 -32.876 1.996 3.758 489 1HB GLN 67 1HB GLN 67 -34.385 4.243 5.087 490 2HB GLN 67 2HB GLN 67 -35.255 2.894 4.353 491 1HG GLN 67 1HG GLN 67 -33.881 1.321 5.729 492 2HG GLN 67 2HG GLN 67 -33.141 2.711 6.521 493 2HE2 GLN 67 2HE2 GLN 67 -34.081 2.869 8.565 494 1HE2 GLN 67 1HE2 GLN 67 -35.747 2.764 8.878 495 H LYS 68 H LYS 68 -31.858 3.086 1.606 496 HA LYS 68 HA LYS 68 -34.075 4.377 0.061 497 1HB LYS 68 1HB LYS 68 -31.829 5.517 0.367 498 2HB LYS 68 2HB LYS 68 -31.115 4.209 -0.574 499 1HG LYS 68 1HG LYS 68 -32.243 4.835 -2.536 500 2HG LYS 68 2HG LYS 68 -33.476 5.735 -1.653 501 1HD LYS 68 1HD LYS 68 -32.080 7.574 -1.313 502 2HD LYS 68 2HD LYS 68 -30.610 6.614 -1.478 503 1HE LYS 68 1HE LYS 68 -32.438 6.845 -3.852 504 2HE LYS 68 2HE LYS 68 -31.365 8.202 -3.460 505 1HZ LYS 68 1HZ LYS 68 -29.555 6.498 -3.236 506 2HZ LYS 68 2HZ LYS 68 -30.617 5.362 -3.920 507 3HZ LYS 68 3HZ LYS 68 -30.124 6.718 -4.818 508 H TYR 69 H TYR 69 -31.570 1.835 -0.117 509 HA TYR 69 HA TYR 69 -32.522 0.787 -2.664 510 1HB TYR 69 1HB TYR 69 -30.259 0.608 -1.078 511 2HB TYR 69 2HB TYR 69 -30.987 -0.988 -0.893 512 HD1 TYR 69 HD1 TYR 69 -30.186 1.539 -3.548 513 HD2 TYR 69 HD2 TYR 69 -30.585 -2.614 -2.525 514 HE1 TYR 69 HE1 TYR 69 -29.372 0.906 -5.803 515 HE2 TYR 69 HE2 TYR 69 -29.772 -3.247 -4.782 516 HH TYR 69 HH TYR 69 -29.474 -0.975 -7.332 517 H GLY 70 H GLY 70 -34.569 -0.105 -2.698 518 1HA GLY 70 1HA GLY 70 -35.208 -2.563 -1.548 519 2HA GLY 70 2HA GLY 70 -35.776 -1.364 -0.387 No H/Q in entry = 519 Start of MODEL 3 1 H1 MET 1 1H MET 1 -13.165 -6.845 1.530 2 H2 MET 1 2H MET 1 -12.992 -5.159 1.403 3 H3 MET 1 3H MET 1 -11.616 -6.147 1.498 4 HA MET 1 HA MET 1 -12.170 -6.782 3.762 5 1HB MET 1 1HB MET 1 -11.926 -3.933 2.846 6 2HB MET 1 2HB MET 1 -12.089 -4.257 4.572 7 1HG MET 1 1HG MET 1 -10.005 -5.163 4.724 8 2HG MET 1 2HG MET 1 -10.146 -5.986 3.171 9 1HE MET 1 1HE MET 1 -7.788 -5.167 4.118 10 2HE MET 1 2HE MET 1 -6.941 -4.147 2.958 11 3HE MET 1 3HE MET 1 -7.518 -3.466 4.485 12 H GLU 2 H GLU 2 -14.633 -7.467 3.039 13 HA GLU 2 HA GLU 2 -16.400 -5.833 4.807 14 1HB GLU 2 1HB GLU 2 -18.143 -5.957 3.011 15 2HB GLU 2 2HB GLU 2 -16.719 -5.041 2.518 16 1HG GLU 2 1HG GLU 2 -16.283 -6.491 0.846 17 2HG GLU 2 2HG GLU 2 -16.382 -7.866 1.945 18 H ILE 3 H ILE 3 -15.615 -8.032 5.954 19 HA ILE 3 HA ILE 3 -17.741 -10.077 5.400 20 HB ILE 3 HB ILE 3 -14.881 -10.540 6.303 21 1HG1 ILE 3 1HG1 ILE 3 -15.086 -11.709 3.853 22 2HG1 ILE 3 2HG1 ILE 3 -16.139 -10.312 3.628 23 1HG2 ILE 3 1HG2 ILE 3 -17.268 -12.273 5.831 24 2HG2 ILE 3 2HG2 ILE 3 -15.684 -12.911 5.391 25 3HG2 ILE 3 3HG2 ILE 3 -16.004 -12.415 7.052 26 1HD1 ILE 3 1HD1 ILE 3 -14.144 -9.018 4.783 27 2HD1 ILE 3 2HD1 ILE 3 -13.200 -10.397 4.222 28 3HD1 ILE 3 3HD1 ILE 3 -14.075 -9.397 3.063 29 H ASP 4 H ASP 4 -18.097 -11.467 7.449 30 HA ASP 4 HA ASP 4 -17.526 -9.925 9.945 31 1HB ASP 4 1HB ASP 4 -19.672 -9.191 9.076 32 2HB ASP 4 2HB ASP 4 -20.199 -10.861 8.898 33 H GLU 5 H GLU 5 -17.298 -12.875 8.462 34 HA GLU 5 HA GLU 5 -18.130 -14.516 10.784 35 1HB GLU 5 2HB GLU 5 -17.567 -16.365 9.253 36 2HB GLU 5 1HB GLU 5 -16.843 -15.222 8.121 37 1HG GLU 5 1HG GLU 5 -19.191 -14.057 8.218 38 2HG GLU 5 2HG GLU 5 -18.991 -15.505 7.233 39 H GLY 6 H GLY 6 -15.897 -16.452 10.194 40 1HA GLY 6 1HA GLY 6 -13.855 -15.107 11.868 41 2HA GLY 6 2HA GLY 6 -13.956 -16.841 11.569 42 H LYS 7 H LYS 7 -14.140 -14.383 9.043 43 HA LYS 7 HA LYS 7 -11.958 -15.667 7.574 44 1HB LYS 7 1HB LYS 7 -14.227 -14.193 6.996 45 2HB LYS 7 2HB LYS 7 -12.932 -13.035 6.695 46 1HG LYS 7 1HG LYS 7 -13.182 -14.158 4.628 47 2HG LYS 7 2HG LYS 7 -11.794 -14.948 5.376 48 1HD LYS 7 1HD LYS 7 -13.185 -16.719 4.586 49 2HD LYS 7 2HD LYS 7 -13.462 -16.645 6.325 50 1HE LYS 7 1HE LYS 7 -15.368 -14.904 5.496 51 2HE LYS 7 2HE LYS 7 -15.307 -15.980 4.088 52 1HZ LYS 7 1HZ LYS 7 -15.318 -17.047 6.848 53 2HZ LYS 7 2HZ LYS 7 -16.774 -16.679 6.052 54 3HZ LYS 7 3HZ LYS 7 -15.720 -17.845 5.407 55 H TYR 8 H TYR 8 -9.831 -14.985 7.558 56 HA TYR 8 HA TYR 8 -9.201 -12.411 8.981 57 1HB TYR 8 1HB TYR 8 -7.961 -15.151 8.909 58 2HB TYR 8 2HB TYR 8 -6.933 -13.758 9.240 59 HD1 TYR 8 HD1 TYR 8 -10.352 -14.964 10.237 60 HD2 TYR 8 HD2 TYR 8 -6.606 -13.273 11.493 61 HE1 TYR 8 HE1 TYR 8 -11.151 -14.944 12.582 62 HE2 TYR 8 HE2 TYR 8 -7.404 -13.262 13.841 63 HH TYR 8 HH TYR 8 -9.708 -13.194 14.999 64 H GLU 9 H GLU 9 -7.975 -10.936 7.810 65 HA GLU 9 HA GLU 9 -7.192 -11.729 5.044 66 1HB GLU 9 1HB GLU 9 -7.123 -9.237 4.737 67 2HB GLU 9 2HB GLU 9 -8.692 -9.825 5.285 68 1HG GLU 9 1HG GLU 9 -8.552 -8.645 7.205 69 2HG GLU 9 2HG GLU 9 -6.924 -9.238 7.527 70 H CYS 10 H CYS 10 -5.054 -11.765 4.435 71 HA CYS 10 HA CYS 10 -2.974 -11.577 6.473 72 1HB CYS 10 1HB CYS 10 -3.217 -13.084 4.346 73 2HB CYS 10 2HB CYS 10 -2.564 -11.692 3.500 74 H GLU 11 H GLU 11 -2.264 -9.554 7.122 75 HA GLU 11 HA GLU 11 -2.538 -7.178 5.473 76 1HB GLU 11 1HB GLU 11 -1.792 -7.961 8.134 77 2HB GLU 11 2HB GLU 11 -0.552 -6.883 7.495 78 1HG GLU 11 1HG GLU 11 -2.700 -5.516 6.674 79 2HG GLU 11 2HG GLU 11 -3.437 -6.338 8.050 80 H ALA 12 H ALA 12 -0.337 -9.782 5.463 81 HA ALA 12 HA ALA 12 2.016 -8.272 4.581 82 1HB ALA 12 1HB ALA 12 1.227 -11.048 5.268 83 2HB ALA 12 2HB ALA 12 2.550 -10.891 4.112 84 3HB ALA 12 3HB ALA 12 2.680 -10.149 5.707 85 H CYS 13 H CYS 13 -0.441 -10.401 3.021 86 HA CYS 13 HA CYS 13 0.677 -9.457 0.407 87 1HB CYS 13 2HB CYS 13 1.144 -11.854 1.140 88 2HB CYS 13 1HB CYS 13 0.421 -11.666 -0.452 89 H GLY 14 H GLY 14 -2.255 -10.391 2.171 90 1HA GLY 14 1HA GLY 14 -4.252 -8.943 1.751 91 2HA GLY 14 2HA GLY 14 -3.820 -8.979 0.043 92 H TYR 15 H TYR 15 -3.470 -11.884 1.890 93 HA TYR 15 HA TYR 15 -5.459 -13.250 0.219 94 1HB TYR 15 1HB TYR 15 -3.346 -14.323 0.688 95 2HB TYR 15 2HB TYR 15 -3.535 -14.059 2.420 96 HD1 TYR 15 HD1 TYR 15 -4.756 -15.996 -0.493 97 HD2 TYR 15 HD2 TYR 15 -4.933 -15.490 3.770 98 HE1 TYR 15 HE1 TYR 15 -5.922 -18.173 -0.282 99 HE2 TYR 15 HE2 TYR 15 -6.098 -17.669 3.980 100 HH TYR 15 HH TYR 15 -6.067 -19.957 2.095 101 H ILE 16 H ILE 16 -7.038 -14.774 1.412 102 HA ILE 16 HA ILE 16 -8.077 -13.495 3.917 103 HB ILE 16 HB ILE 16 -9.607 -14.445 1.477 104 1HG1 ILE 16 1HG1 ILE 16 -8.314 -12.328 1.198 105 2HG1 ILE 16 2HG1 ILE 16 -10.056 -12.090 1.078 106 1HG2 ILE 16 1HG2 ILE 16 -10.401 -13.974 4.217 107 2HG2 ILE 16 2HG2 ILE 16 -11.205 -12.828 3.145 108 3HG2 ILE 16 3HG2 ILE 16 -11.374 -14.562 2.868 109 1HD1 ILE 16 1HD1 ILE 16 -10.030 -11.470 3.538 110 2HD1 ILE 16 2HD1 ILE 16 -8.269 -11.485 3.449 111 3HD1 ILE 16 3HD1 ILE 16 -9.190 -10.333 2.484 112 H TYR 17 H TYR 17 -7.926 -15.070 5.465 113 HA TYR 17 HA TYR 17 -7.890 -17.915 4.796 114 1HB TYR 17 1HB TYR 17 -6.541 -17.066 6.621 115 2HB TYR 17 2HB TYR 17 -7.952 -16.335 7.386 116 HD1 TYR 17 HD1 TYR 17 -6.655 -19.657 6.222 117 HD2 TYR 17 HD2 TYR 17 -9.145 -17.543 9.017 118 HE1 TYR 17 HE1 TYR 17 -7.119 -21.779 7.420 119 HE2 TYR 17 HE2 TYR 17 -9.607 -19.668 10.212 120 HH TYR 17 HH TYR 17 -9.101 -22.631 8.950 121 H GLU 18 H GLU 18 -9.600 -19.325 4.895 122 HA GLU 18 HA GLU 18 -12.241 -18.242 5.812 123 1HB GLU 18 1HB GLU 18 -11.555 -20.387 3.775 124 2HB GLU 18 2HB GLU 18 -13.176 -19.791 4.133 125 1HG GLU 18 1HG GLU 18 -12.876 -17.908 2.899 126 2HG GLU 18 2HG GLU 18 -11.241 -17.663 3.510 127 HA PRO 19 HA PRO 19 -11.427 -21.475 8.867 128 1HB PRO 19 1HB PRO 19 -13.527 -20.815 10.506 129 2HB PRO 19 2HB PRO 19 -11.959 -19.999 10.539 130 1HG PRO 19 1HG PRO 19 -14.513 -19.134 9.284 131 2HG PRO 19 2HG PRO 19 -13.285 -18.179 10.117 132 1HD PRO 19 1HD PRO 19 -13.524 -18.291 7.399 133 2HD PRO 19 2HD PRO 19 -11.996 -17.960 8.240 134 H GLU 20 H GLU 20 -14.908 -20.821 8.627 135 HA GLU 20 HA GLU 20 -15.916 -23.386 8.804 136 1HB GLU 20 1HB GLU 20 -16.825 -20.855 8.176 137 2HB GLU 20 2HB GLU 20 -17.196 -21.767 6.713 138 1HG GLU 20 1HG GLU 20 -18.688 -23.159 7.796 139 2HG GLU 20 2HG GLU 20 -17.844 -23.036 9.339 140 H LYS 21 H LYS 21 -14.272 -21.976 6.032 141 HA LYS 21 HA LYS 21 -14.961 -24.325 4.337 142 1HB LYS 21 1HB LYS 21 -15.092 -21.884 3.598 143 2HB LYS 21 2HB LYS 21 -13.329 -21.861 3.664 144 1HG LYS 21 1HG LYS 21 -13.252 -22.795 1.618 145 2HG LYS 21 2HG LYS 21 -14.106 -24.207 2.239 146 1HD LYS 21 2HD LYS 21 -16.266 -22.955 1.905 147 2HD LYS 21 1HD LYS 21 -15.401 -23.292 0.405 148 1HE LYS 21 1HE LYS 21 -15.520 -20.664 1.917 149 2HE LYS 21 2HE LYS 21 -14.369 -20.972 0.603 150 1HZ LYS 21 1HZ LYS 21 -16.254 -21.632 -0.799 151 2HZ LYS 21 2HZ LYS 21 -17.331 -21.239 0.455 152 3HZ LYS 21 3HZ LYS 21 -16.401 -20.023 -0.284 153 H GLY 22 H GLY 22 -12.323 -22.943 6.176 154 1HA GLY 22 1HA GLY 22 -10.301 -24.005 6.798 155 2HA GLY 22 2HA GLY 22 -10.740 -25.368 5.769 156 H ASP 23 H ASP 23 -8.151 -24.014 5.900 157 HA ASP 23 HA ASP 23 -7.913 -22.430 3.435 158 1HB ASP 23 1HB ASP 23 -6.526 -22.752 5.861 159 2HB ASP 23 2HB ASP 23 -5.441 -23.390 4.627 160 H LYS 24 H LYS 24 -8.959 -24.625 2.481 161 HA LYS 24 HA LYS 24 -7.615 -27.005 2.041 162 1HB LYS 24 1HB LYS 24 -9.781 -25.637 1.010 163 2HB LYS 24 2HB LYS 24 -8.736 -25.813 -0.399 164 1HG LYS 24 1HG LYS 24 -8.566 -28.302 0.786 165 2HG LYS 24 2HG LYS 24 -10.248 -27.856 1.074 166 1HD LYS 24 1HD LYS 24 -10.483 -28.744 -1.040 167 2HD LYS 24 2HD LYS 24 -10.066 -27.091 -1.492 168 1HE LYS 24 1HE LYS 24 -8.639 -28.584 -2.776 169 2HE LYS 24 2HE LYS 24 -7.624 -27.838 -1.526 170 1HZ LYS 24 1HZ LYS 24 -9.104 -30.335 -0.973 171 2HZ LYS 24 2HZ LYS 24 -7.605 -30.397 -1.770 172 3HZ LYS 24 3HZ LYS 24 -7.714 -29.732 -0.210 173 H PHE 25 H PHE 25 -6.778 -23.850 0.727 174 HA PHE 25 HA PHE 25 -4.950 -24.849 -1.308 175 1HB PHE 25 1HB PHE 25 -6.183 -22.459 -0.623 176 2HB PHE 25 2HB PHE 25 -4.490 -22.156 -0.232 177 HD1 PHE 25 HD1 PHE 25 -6.208 -24.157 -2.907 178 HD2 PHE 25 HD2 PHE 25 -3.439 -21.009 -1.970 179 HE1 PHE 25 HE1 PHE 25 -5.700 -23.886 -5.318 180 HE2 PHE 25 HE2 PHE 25 -2.931 -20.739 -4.382 181 HZ PHE 25 HZ PHE 25 -4.060 -22.178 -6.057 182 H ALA 26 H ALA 26 -4.716 -24.034 2.105 183 HA ALA 26 HA ALA 26 -1.749 -24.239 2.052 184 1HB ALA 26 3HB ALA 26 -1.991 -22.725 3.709 185 2HB ALA 26 1HB ALA 26 -3.743 -22.843 3.541 186 3HB ALA 26 2HB ALA 26 -2.890 -23.902 4.666 187 H GLY 27 H GLY 27 -4.613 -25.996 3.082 188 1HA GLY 27 1HA GLY 27 -4.256 -28.499 3.163 189 2HA GLY 27 2HA GLY 27 -2.830 -28.153 4.138 190 H ILE 28 H ILE 28 -5.729 -26.252 4.617 191 HA ILE 28 HA ILE 28 -6.115 -27.652 7.237 192 HB ILE 28 HB ILE 28 -6.457 -24.792 6.302 193 1HG1 ILE 28 1HG1 ILE 28 -4.978 -25.514 8.764 194 2HG1 ILE 28 2HG1 ILE 28 -4.258 -26.068 7.252 195 1HG2 ILE 28 1HG2 ILE 28 -7.460 -26.156 8.803 196 2HG2 ILE 28 2HG2 ILE 28 -7.084 -24.433 8.791 197 3HG2 ILE 28 3HG2 ILE 28 -8.333 -25.071 7.722 198 1HD1 ILE 28 1HD1 ILE 28 -5.258 -23.262 7.309 199 2HD1 ILE 28 2HD1 ILE 28 -3.805 -23.606 8.249 200 3HD1 ILE 28 3HD1 ILE 28 -3.832 -23.932 6.517 201 HA PRO 29 HA PRO 29 -10.065 -28.704 5.422 202 1HB PRO 29 1HB PRO 29 -11.149 -29.905 7.627 203 2HB PRO 29 2HB PRO 29 -9.947 -30.694 6.590 204 1HG PRO 29 1HG PRO 29 -9.599 -29.353 9.227 205 2HG PRO 29 2HG PRO 29 -8.828 -30.814 8.596 206 1HD PRO 29 1HD PRO 29 -7.619 -28.358 8.683 207 2HD PRO 29 2HD PRO 29 -7.193 -29.630 7.520 208 HA PRO 30 HA PRO 30 -12.850 -25.597 6.851 209 1HB PRO 30 1HB PRO 30 -15.299 -26.797 6.697 210 2HB PRO 30 2HB PRO 30 -14.376 -26.308 5.264 211 1HG PRO 30 2HG PRO 30 -14.635 -28.550 4.799 212 2HG PRO 30 1HG PRO 30 -14.673 -28.995 6.512 213 1HD PRO 30 1HD PRO 30 -12.503 -29.614 6.135 214 2HD PRO 30 2HD PRO 30 -12.342 -28.541 4.729 215 H GLY 31 H GLY 31 -15.180 -25.752 8.327 216 1HA GLY 31 1HA GLY 31 -15.842 -25.755 10.589 217 2HA GLY 31 2HA GLY 31 -15.341 -27.444 10.544 218 H THR 32 H THR 32 -13.167 -24.698 10.053 219 HA THR 32 HA THR 32 -11.970 -25.200 12.748 220 HB THR 32 HB THR 32 -10.521 -25.067 10.086 221 HG1 THR 32 HG1 THR 32 -11.183 -27.067 10.088 222 1HG2 THR 32 1HG2 THR 32 -9.240 -24.159 12.008 223 2HG2 THR 32 2HG2 THR 32 -9.496 -25.675 12.872 224 3HG2 THR 32 3HG2 THR 32 -8.537 -25.655 11.392 225 HA PRO 33 HA PRO 33 -12.243 -20.711 12.345 226 1HB PRO 33 1HB PRO 33 -11.632 -20.158 14.955 227 2HB PRO 33 2HB PRO 33 -13.249 -20.660 14.429 228 1HG PRO 33 2HG PRO 33 -12.829 -22.311 15.980 229 2HG PRO 33 1HG PRO 33 -11.082 -22.263 15.703 230 1HD PRO 33 1HD PRO 33 -11.497 -24.138 14.457 231 2HD PRO 33 2HD PRO 33 -13.198 -23.704 14.197 232 H PHE 34 H PHE 34 -10.632 -19.093 12.180 233 HA PHE 34 HA PHE 34 -7.985 -19.801 11.588 234 1HB PHE 34 1HB PHE 34 -8.962 -17.698 10.929 235 2HB PHE 34 2HB PHE 34 -9.262 -17.243 12.597 236 HD1 PHE 34 HD1 PHE 34 -7.333 -16.735 14.119 237 HD2 PHE 34 HD2 PHE 34 -6.825 -17.350 9.899 238 HE1 PHE 34 HE1 PHE 34 -5.097 -15.668 14.233 239 HE2 PHE 34 HE2 PHE 34 -4.588 -16.282 10.014 240 HZ PHE 34 HZ PHE 34 -3.726 -15.441 12.181 241 H VAL 35 H VAL 35 -9.445 -19.153 14.723 242 HA VAL 35 HA VAL 35 -6.985 -18.772 16.194 243 HB VAL 35 HB VAL 35 -8.502 -19.104 18.122 244 1HG1 VAL 35 1HG1 VAL 35 -8.503 -16.960 16.809 245 2HG1 VAL 35 2HG1 VAL 35 -9.878 -17.578 15.894 246 3HG1 VAL 35 3HG1 VAL 35 -10.031 -17.287 17.627 247 1HG2 VAL 35 1HG2 VAL 35 -9.942 -20.654 16.154 248 2HG2 VAL 35 2HG2 VAL 35 -10.187 -20.581 17.899 249 3HG2 VAL 35 3HG2 VAL 35 -10.998 -19.423 16.846 250 H ASP 36 H ASP 36 -8.621 -21.581 14.959 251 HA ASP 36 HA ASP 36 -7.239 -23.417 16.834 252 1HB ASP 36 1HB ASP 36 -9.538 -23.411 15.022 253 2HB ASP 36 2HB ASP 36 -8.582 -24.887 14.895 254 H LEU 37 H LEU 37 -6.421 -21.852 13.970 255 HA LEU 37 HA LEU 37 -5.289 -23.802 12.290 256 1HB LEU 37 1HB LEU 37 -4.589 -20.972 13.058 257 2HB LEU 37 2HB LEU 37 -3.603 -21.845 11.883 258 HG LEU 37 HG LEU 37 -6.601 -21.415 11.686 259 1HD1 LEU 37 1HD1 LEU 37 -4.295 -20.194 10.137 260 2HD1 LEU 37 2HD1 LEU 37 -6.006 -19.937 9.794 261 3HD1 LEU 37 3HD1 LEU 37 -5.311 -19.350 11.306 262 1HD2 LEU 37 1HD2 LEU 37 -4.574 -22.891 10.015 263 2HD2 LEU 37 2HD2 LEU 37 -6.160 -23.437 10.563 264 3HD2 LEU 37 3HD2 LEU 37 -6.035 -22.234 9.280 265 H SER 38 H SER 38 -2.694 -23.864 12.075 266 HA SER 38 HA SER 38 -1.719 -25.308 14.397 267 1HB SER 38 1HB SER 38 -1.204 -25.198 11.695 268 2HB SER 38 2HB SER 38 0.207 -24.379 12.365 269 HG SER 38 HG SER 38 0.515 -26.632 12.253 270 H ASP 39 H ASP 39 0.157 -24.687 15.682 271 HA ASP 39 HA ASP 39 0.138 -22.099 16.780 272 1HB ASP 39 1HB ASP 39 1.159 -24.051 17.828 273 2HB ASP 39 2HB ASP 39 2.354 -24.159 16.535 274 H SER 40 H SER 40 1.741 -23.262 13.875 275 HA SER 40 HA SER 40 2.743 -20.480 13.403 276 1HB SER 40 1HB SER 40 4.239 -22.851 13.958 277 2HB SER 40 2HB SER 40 4.527 -22.418 12.273 278 HG SER 40 HG SER 40 5.858 -21.394 14.020 279 H PHE 41 H PHE 41 0.443 -21.013 12.211 280 HA PHE 41 HA PHE 41 0.595 -22.513 9.734 281 1HB PHE 41 1HB PHE 41 -1.550 -22.243 10.648 282 2HB PHE 41 2HB PHE 41 -1.270 -20.568 11.078 283 HD1 PHE 41 HD1 PHE 41 -1.836 -22.859 8.187 284 HD2 PHE 41 HD2 PHE 41 -1.858 -18.802 9.605 285 HE1 PHE 41 HE1 PHE 41 -2.925 -22.129 6.082 286 HE2 PHE 41 HE2 PHE 41 -2.949 -18.075 7.500 287 HZ PHE 41 HZ PHE 41 -3.481 -19.737 5.739 288 H MET 42 H MET 42 1.492 -21.827 7.814 289 HA MET 42 HA MET 42 2.311 -18.963 7.602 290 1HB MET 42 1HB MET 42 3.132 -21.358 5.929 291 2HB MET 42 2HB MET 42 3.923 -19.785 5.984 292 1HG MET 42 1HG MET 42 3.648 -21.600 8.397 293 2HG MET 42 2HG MET 42 5.073 -21.566 7.358 294 1HE MET 42 1HE MET 42 5.029 -21.453 10.085 295 2HE MET 42 2HE MET 42 6.403 -20.368 10.285 296 3HE MET 42 3HE MET 42 4.848 -19.949 11.001 297 H CYS 43 H CYS 43 1.655 -17.730 5.804 298 HA CYS 43 HA CYS 43 -0.892 -18.191 4.661 299 1HB CYS 43 1HB CYS 43 0.585 -16.086 4.881 300 2HB CYS 43 2HB CYS 43 1.344 -16.623 3.383 301 HA PRO 44 HA PRO 44 0.217 -21.104 1.484 302 1HB PRO 44 1HB PRO 44 -2.155 -21.100 0.128 303 2HB PRO 44 2HB PRO 44 -1.935 -21.933 1.677 304 1HG PRO 44 2HG PRO 44 -3.660 -20.563 2.296 305 2HG PRO 44 1HG PRO 44 -3.255 -19.342 1.085 306 1HD PRO 44 1HD PRO 44 -2.318 -18.196 2.804 307 2HD PRO 44 2HD PRO 44 -2.289 -19.631 3.849 308 H ALA 45 H ALA 45 -0.232 -17.793 1.107 309 HA ALA 45 HA ALA 45 0.328 -17.951 -1.832 310 1HB ALA 45 3HB ALA 45 -1.597 -16.761 -1.931 311 2HB ALA 45 2HB ALA 45 -0.660 -15.416 -1.279 312 3HB ALA 45 1HB ALA 45 -1.582 -16.457 -0.193 313 H CYS 46 H CYS 46 1.113 -16.321 1.231 314 HA CYS 46 HA CYS 46 3.544 -15.240 -0.140 315 1HB CYS 46 1HB CYS 46 3.162 -13.152 0.786 316 2HB CYS 46 2HB CYS 46 1.509 -13.712 0.585 317 H ARG 47 H ARG 47 2.699 -17.566 1.934 318 HA ARG 47 HA ARG 47 3.840 -18.758 3.620 319 1HB ARG 47 1HB ARG 47 5.566 -17.924 1.655 320 2HB ARG 47 2HB ARG 47 6.360 -17.320 3.108 321 1HG ARG 47 1HG ARG 47 7.035 -19.400 3.644 322 2HG ARG 47 2HG ARG 47 5.369 -19.979 3.599 323 1HD ARG 47 1HD ARG 47 7.068 -19.609 1.109 324 2HD ARG 47 2HD ARG 47 6.892 -21.156 1.958 325 HE ARG 47 HE ARG 47 4.422 -19.692 1.158 326 1HH1 ARG 47 1HH1 ARG 47 4.215 -22.464 2.144 327 2HH1 ARG 47 2HH1 ARG 47 4.162 -23.394 0.684 328 1HH2 ARG 47 1HH2 ARG 47 5.387 -20.832 -1.305 329 2HH2 ARG 47 2HH2 ARG 47 4.827 -22.470 -1.268 330 H SER 48 H SER 48 2.852 -15.835 4.241 331 HA SER 48 HA SER 48 4.734 -14.890 6.270 332 1HB SER 48 1HB SER 48 3.349 -13.276 5.194 333 2HB SER 48 2HB SER 48 1.896 -14.244 5.446 334 HG SER 48 HG SER 48 3.275 -12.590 7.199 335 HA PRO 49 HA PRO 49 3.357 -17.441 9.585 336 1HB PRO 49 1HB PRO 49 3.718 -15.762 11.721 337 2HB PRO 49 2HB PRO 49 5.057 -16.562 10.876 338 1HG PRO 49 1HG PRO 49 4.030 -13.772 10.600 339 2HG PRO 49 2HG PRO 49 5.701 -14.356 10.634 340 1HD PRO 49 1HD PRO 49 4.415 -13.688 8.338 341 2HD PRO 49 2HD PRO 49 5.672 -14.941 8.407 342 H LYS 50 H LYS 50 1.408 -17.859 10.640 343 HA LYS 50 HA LYS 50 -0.970 -16.567 9.992 344 1HB LYS 50 1HB LYS 50 -0.613 -18.801 11.085 345 2HB LYS 50 2HB LYS 50 -0.287 -17.960 12.600 346 1HG LYS 50 1HG LYS 50 -2.532 -16.942 12.521 347 2HG LYS 50 2HG LYS 50 -2.862 -17.785 11.008 348 1HD LYS 50 1HD LYS 50 -3.583 -19.545 12.211 349 2HD LYS 50 2HD LYS 50 -1.937 -19.754 12.809 350 1HE LYS 50 1HE LYS 50 -3.837 -17.762 14.074 351 2HE LYS 50 2HE LYS 50 -3.758 -19.453 14.605 352 1HZ LYS 50 1HZ LYS 50 -1.311 -17.826 14.249 353 2HZ LYS 50 2HZ LYS 50 -2.175 -17.789 15.710 354 3HZ LYS 50 3HZ LYS 50 -1.512 -19.249 15.155 355 H ASN 51 H ASN 51 1.316 -15.684 12.534 356 HA ASN 51 HA ASN 51 -0.400 -13.945 14.024 357 1HB ASN 51 1HB ASN 51 2.474 -14.513 13.685 358 2HB ASN 51 2HB ASN 51 2.128 -12.869 14.218 359 2HD2 ASN 51 2HD2 ASN 51 0.601 -12.716 16.181 360 1HD2 ASN 51 1HD2 ASN 51 0.697 -13.940 17.351 361 H GLN 52 H GLN 52 0.889 -13.656 10.846 362 HA GLN 52 HA GLN 52 0.776 -10.704 10.807 363 1HB GLN 52 1HB GLN 52 2.042 -12.820 9.375 364 2HB GLN 52 2HB GLN 52 1.022 -11.951 8.229 365 1HG GLN 52 1HG GLN 52 3.096 -10.706 10.064 366 2HG GLN 52 2HG GLN 52 3.257 -10.929 8.321 367 2HE2 GLN 52 2HE2 GLN 52 0.621 -10.175 7.515 368 1HE2 GLN 52 1HE2 GLN 52 0.399 -8.529 7.858 369 H PHE 53 H PHE 53 -1.524 -13.118 10.736 370 HA PHE 53 HA PHE 53 -3.176 -11.991 8.556 371 1HB PHE 53 1HB PHE 53 -3.376 -14.268 10.534 372 2HB PHE 53 2HB PHE 53 -4.732 -13.831 9.497 373 HD1 PHE 53 HD1 PHE 53 -1.029 -14.399 9.223 374 HD2 PHE 53 HD2 PHE 53 -4.907 -14.915 7.447 375 HE1 PHE 53 HE1 PHE 53 -0.003 -15.657 7.347 376 HE2 PHE 53 HE2 PHE 53 -3.881 -16.172 5.572 377 HZ PHE 53 HZ PHE 53 -1.431 -16.542 5.523 378 H LYS 54 H LYS 54 -4.919 -10.628 8.906 379 HA LYS 54 HA LYS 54 -5.524 -9.891 11.752 380 1HB LYS 54 1HB LYS 54 -4.465 -8.311 9.863 381 2HB LYS 54 2HB LYS 54 -6.162 -8.121 9.421 382 1HG LYS 54 2HG LYS 54 -6.362 -7.809 12.097 383 2HG LYS 54 1HG LYS 54 -6.072 -6.461 10.999 384 1HD LYS 54 1HD LYS 54 -3.797 -8.061 12.176 385 2HD LYS 54 2HD LYS 54 -3.739 -6.459 11.442 386 1HE LYS 54 2HE LYS 54 -5.549 -6.068 13.481 387 2HE LYS 54 1HE LYS 54 -3.812 -5.735 13.621 388 1HZ LYS 54 1HZ LYS 54 -5.005 -8.416 14.082 389 2HZ LYS 54 2HZ LYS 54 -3.425 -7.915 14.441 390 3HZ LYS 54 3HZ LYS 54 -4.733 -7.303 15.336 391 H SER 55 H SER 55 -7.632 -10.241 12.401 392 HA SER 55 HA SER 55 -9.493 -11.656 10.757 393 1HB SER 55 1HB SER 55 -11.038 -11.188 12.636 394 2HB SER 55 2HB SER 55 -9.460 -11.690 13.212 395 HG SER 55 HG SER 55 -10.724 -9.504 13.831 396 H ILE 56 H ILE 56 -11.838 -10.709 10.646 397 HA ILE 56 HA ILE 56 -11.997 -7.851 9.945 398 HB ILE 56 HB ILE 56 -10.999 -8.866 7.943 399 1HG1 ILE 56 2HG1 ILE 56 -13.781 -7.816 7.939 400 2HG1 ILE 56 1HG1 ILE 56 -13.235 -8.572 6.443 401 1HG2 ILE 56 1HG2 ILE 56 -12.872 -10.982 8.614 402 2HG2 ILE 56 2HG2 ILE 56 -13.047 -10.495 6.929 403 3HG2 ILE 56 3HG2 ILE 56 -11.480 -11.029 7.532 404 1HD1 ILE 56 1HD1 ILE 56 -11.488 -6.565 7.854 405 2HD1 ILE 56 2HD1 ILE 56 -11.491 -7.027 6.152 406 3HD1 ILE 56 3HD1 ILE 56 -12.790 -6.022 6.795 407 H LYS 57 H LYS 57 -13.494 -8.494 11.866 408 HA LYS 57 HA LYS 57 -15.989 -9.862 11.075 409 1HB LYS 57 1HB LYS 57 -14.760 -8.771 13.604 410 2HB LYS 57 2HB LYS 57 -16.457 -9.247 13.566 411 1HG LYS 57 1HG LYS 57 -15.853 -11.500 12.852 412 2HG LYS 57 2HG LYS 57 -14.154 -11.040 12.738 413 1HD LYS 57 1HD LYS 57 -13.939 -10.819 15.084 414 2HD LYS 57 2HD LYS 57 -15.684 -10.749 15.323 415 1HE LYS 57 1HE LYS 57 -15.917 -13.042 15.218 416 2HE LYS 57 2HE LYS 57 -14.612 -13.219 14.030 417 1HZ LYS 57 1HZ LYS 57 -13.068 -12.491 15.850 418 2HZ LYS 57 2HZ LYS 57 -14.361 -12.662 16.940 419 3HZ LYS 57 3HZ LYS 57 -13.775 -14.014 16.093 420 H LYS 58 H LYS 58 -16.117 -7.879 9.449 421 HA LYS 58 HA LYS 58 -18.204 -6.102 10.434 422 1HB LYS 58 1HB LYS 58 -15.399 -5.376 10.643 423 2HB LYS 58 2HB LYS 58 -16.265 -4.237 9.612 424 1HG LYS 58 1HG LYS 58 -17.353 -3.345 11.375 425 2HG LYS 58 2HG LYS 58 -17.820 -4.938 11.973 426 1HD LYS 58 2HD LYS 58 -15.360 -5.135 12.760 427 2HD LYS 58 1HD LYS 58 -16.429 -4.079 13.682 428 1HE LYS 58 1HE LYS 58 -13.984 -3.341 12.518 429 2HE LYS 58 2HE LYS 58 -15.221 -2.636 11.460 430 1HZ LYS 58 1HZ LYS 58 -15.236 -2.470 14.431 431 2HZ LYS 58 2HZ LYS 58 -14.705 -1.222 13.406 432 3HZ LYS 58 3HZ LYS 58 -16.329 -1.719 13.374 433 H VAL 59 H VAL 59 -19.240 -5.026 8.683 434 HA VAL 59 HA VAL 59 -18.104 -5.599 5.963 435 HB VAL 59 HB VAL 59 -20.964 -5.645 6.984 436 1HG1 VAL 59 1HG1 VAL 59 -19.903 -5.230 4.331 437 2HG1 VAL 59 2HG1 VAL 59 -20.746 -6.778 4.397 438 3HG1 VAL 59 3HG1 VAL 59 -21.589 -5.295 4.847 439 1HG2 VAL 59 1HG2 VAL 59 -18.924 -7.598 6.983 440 2HG2 VAL 59 2HG2 VAL 59 -20.641 -7.853 7.293 441 3HG2 VAL 59 3HG2 VAL 59 -20.005 -8.030 5.659 442 H ILE 60 H ILE 60 -17.669 -3.722 4.886 443 HA ILE 60 HA ILE 60 -19.346 -1.310 5.507 444 HB ILE 60 HB ILE 60 -17.054 -1.247 6.462 445 1HG1 ILE 60 1HG1 ILE 60 -16.298 0.853 5.165 446 2HG1 ILE 60 2HG1 ILE 60 -17.737 0.602 4.177 447 1HG2 ILE 60 1HG2 ILE 60 -16.394 -2.489 4.012 448 2HG2 ILE 60 2HG2 ILE 60 -15.615 -0.906 3.979 449 3HG2 ILE 60 3HG2 ILE 60 -15.285 -2.025 5.303 450 1HD1 ILE 60 1HD1 ILE 60 -19.134 0.647 6.227 451 2HD1 ILE 60 2HD1 ILE 60 -17.688 0.940 7.193 452 3HD1 ILE 60 3HD1 ILE 60 -18.229 2.149 6.028 453 H ALA 61 H ALA 61 -19.703 0.117 3.685 454 HA ALA 61 HA ALA 61 -18.785 -0.764 1.009 455 1HB ALA 61 1HB ALA 61 -20.878 -2.049 1.761 456 2HB ALA 61 2HB ALA 61 -21.732 -0.509 1.653 457 3HB ALA 61 3HB ALA 61 -20.997 -1.212 0.212 458 H GLY 62 H GLY 62 -18.749 1.674 2.908 459 1HA GLY 62 1HA GLY 62 -19.478 3.644 0.810 460 2HA GLY 62 2HA GLY 62 -20.173 3.861 2.416 461 H PHE 63 H PHE 63 -17.394 4.360 0.463 462 HA PHE 63 HA PHE 63 -15.761 5.122 2.856 463 1HB PHE 63 1HB PHE 63 -15.286 3.792 0.325 464 2HB PHE 63 2HB PHE 63 -14.236 5.200 0.480 465 HD1 PHE 63 HD1 PHE 63 -13.427 5.472 3.128 466 HD2 PHE 63 HD2 PHE 63 -14.307 1.816 1.052 467 HE1 PHE 63 HE1 PHE 63 -11.984 4.224 4.713 468 HE2 PHE 63 HE2 PHE 63 -12.864 0.568 2.638 469 HZ PHE 63 HZ PHE 63 -11.703 1.773 4.469 470 H ALA 64 H ALA 64 -15.457 7.291 3.210 471 HA ALA 64 HA ALA 64 -16.334 9.209 1.100 472 1HB ALA 64 1HB ALA 64 -16.700 8.954 3.875 473 2HB ALA 64 2HB ALA 64 -15.589 10.311 3.687 474 3HB ALA 64 3HB ALA 64 -17.158 10.338 2.880 475 H GLU 65 H GLU 65 -13.579 8.480 3.244 476 HA GLU 65 HA GLU 65 -11.322 9.178 3.127 477 1HB GLU 65 1HB GLU 65 -12.294 8.366 0.608 478 2HB GLU 65 2HB GLU 65 -11.359 9.830 0.302 479 1HG GLU 65 1HG GLU 65 -10.265 7.648 2.072 480 2HG GLU 65 2HG GLU 65 -10.103 7.550 0.319 481 H ASN 66 H ASN 66 -12.006 11.200 4.319 482 HA ASN 66 HA ASN 66 -11.396 13.597 2.664 483 1HB ASN 66 2HB ASN 66 -13.857 13.268 2.700 484 2HB ASN 66 1HB ASN 66 -13.391 14.736 3.557 485 2HD2 ASN 66 2HD2 ASN 66 -15.574 14.362 4.688 486 1HD2 ASN 66 1HD2 ASN 66 -15.601 13.318 6.027 487 H GLN 67 H GLN 67 -9.683 12.368 4.527 488 HA GLN 67 HA GLN 67 -9.918 13.487 7.186 489 1HB GLN 67 1HB GLN 67 -8.371 11.612 5.810 490 2HB GLN 67 2HB GLN 67 -7.220 12.877 6.239 491 1HG GLN 67 1HG GLN 67 -8.165 12.770 8.600 492 2HG GLN 67 2HG GLN 67 -9.028 11.315 8.099 493 2HE2 GLN 67 2HE2 GLN 67 -6.106 12.391 9.438 494 1HE2 GLN 67 1HE2 GLN 67 -5.165 11.014 9.125 495 H LYS 68 H LYS 68 -8.626 14.638 4.139 496 HA LYS 68 HA LYS 68 -7.599 16.683 3.553 497 1HB LYS 68 1HB LYS 68 -9.281 17.335 5.986 498 2HB LYS 68 2HB LYS 68 -8.481 18.579 5.026 499 1HG LYS 68 1HG LYS 68 -9.695 17.092 3.073 500 2HG LYS 68 2HG LYS 68 -10.858 16.948 4.391 501 1HD LYS 68 1HD LYS 68 -10.325 19.589 4.563 502 2HD LYS 68 2HD LYS 68 -10.038 19.350 2.839 503 1HE LYS 68 1HE LYS 68 -12.347 17.978 3.060 504 2HE LYS 68 2HE LYS 68 -12.584 19.139 4.379 505 1HZ LYS 68 1HZ LYS 68 -11.543 19.993 1.744 506 2HZ LYS 68 2HZ LYS 68 -13.215 19.870 2.016 507 3HZ LYS 68 3HZ LYS 68 -12.283 20.937 2.949 508 H TYR 69 H TYR 69 -5.919 14.944 5.071 509 HA TYR 69 HA TYR 69 -4.248 16.972 6.491 510 1HB TYR 69 1HB TYR 69 -5.844 15.360 7.889 511 2HB TYR 69 2HB TYR 69 -4.532 14.212 7.622 512 HD1 TYR 69 HD1 TYR 69 -5.099 17.767 8.685 513 HD2 TYR 69 HD2 TYR 69 -2.707 14.220 9.078 514 HE1 TYR 69 HE1 TYR 69 -3.780 18.855 10.480 515 HE2 TYR 69 HE2 TYR 69 -1.387 15.310 10.872 516 HH TYR 69 HH TYR 69 -1.371 17.070 12.331 517 H GLY 70 H GLY 70 -3.383 16.460 4.089 518 1HA GLY 70 1HA GLY 70 -2.024 13.995 3.595 519 2HA GLY 70 2HA GLY 70 -1.650 15.530 2.809 No H/Q in entry = 519 Start of MODEL 4 1 H1 MET 1 1H MET 1 -16.220 -5.412 3.346 2 H2 MET 1 2H MET 1 -16.186 -4.904 1.725 3 H3 MET 1 3H MET 1 -17.519 -4.525 2.709 4 HA MET 1 HA MET 1 -18.288 -6.308 1.424 5 1HB MET 1 1HB MET 1 -15.741 -6.620 0.807 6 2HB MET 1 2HB MET 1 -15.797 -7.865 2.055 7 1HG MET 1 1HG MET 1 -17.029 -9.265 0.761 8 2HG MET 1 2HG MET 1 -18.068 -7.960 0.187 9 1HE MET 1 1HE MET 1 -16.592 -5.882 -1.096 10 2HE MET 1 2HE MET 1 -16.321 -6.408 -2.755 11 3HE MET 1 3HE MET 1 -17.861 -6.748 -1.972 12 H GLU 2 H GLU 2 -18.603 -8.789 2.206 13 HA GLU 2 HA GLU 2 -19.416 -8.607 5.029 14 1HB GLU 2 1HB GLU 2 -20.630 -9.626 2.949 15 2HB GLU 2 2HB GLU 2 -19.596 -11.024 3.238 16 1HG GLU 2 1HG GLU 2 -20.425 -10.849 5.696 17 2HG GLU 2 2HG GLU 2 -21.714 -9.846 5.029 18 H ILE 3 H ILE 3 -17.337 -8.628 6.129 19 HA ILE 3 HA ILE 3 -16.042 -11.329 6.133 20 HB ILE 3 HB ILE 3 -13.863 -10.071 6.335 21 1HG1 ILE 3 1HG1 ILE 3 -15.674 -7.717 5.699 22 2HG1 ILE 3 2HG1 ILE 3 -14.738 -7.948 7.175 23 1HG2 ILE 3 1HG2 ILE 3 -15.531 -10.476 4.042 24 2HG2 ILE 3 2HG2 ILE 3 -14.640 -8.972 3.817 25 3HG2 ILE 3 3HG2 ILE 3 -13.770 -10.475 4.123 26 1HD1 ILE 3 1HD1 ILE 3 -12.907 -8.225 5.039 27 2HD1 ILE 3 2HD1 ILE 3 -13.893 -6.812 4.658 28 3HD1 ILE 3 3HD1 ILE 3 -13.014 -6.889 6.186 29 H ASP 4 H ASP 4 -16.002 -12.135 8.182 30 HA ASP 4 HA ASP 4 -15.217 -10.707 10.530 31 1HB ASP 4 1HB ASP 4 -17.291 -9.468 10.193 32 2HB ASP 4 2HB ASP 4 -18.200 -10.965 10.014 33 H GLU 5 H GLU 5 -17.121 -13.335 9.146 34 HA GLU 5 HA GLU 5 -17.232 -15.018 11.471 35 1HB GLU 5 1HB GLU 5 -17.502 -15.323 8.492 36 2HB GLU 5 2HB GLU 5 -17.468 -16.767 9.504 37 1HG GLU 5 1HG GLU 5 -19.314 -15.779 10.881 38 2HG GLU 5 2HG GLU 5 -19.398 -14.439 9.738 39 H GLY 6 H GLY 6 -14.924 -14.663 12.190 40 1HA GLY 6 1HA GLY 6 -12.711 -15.400 12.409 41 2HA GLY 6 2HA GLY 6 -13.291 -16.916 11.728 42 H LYS 7 H LYS 7 -13.667 -14.013 9.846 43 HA LYS 7 HA LYS 7 -11.908 -15.113 7.760 44 1HB LYS 7 1HB LYS 7 -14.143 -13.380 7.988 45 2HB LYS 7 2HB LYS 7 -12.830 -12.408 7.323 46 1HG LYS 7 1HG LYS 7 -12.895 -13.498 5.341 47 2HG LYS 7 2HG LYS 7 -12.969 -15.075 6.126 48 1HD LYS 7 1HD LYS 7 -15.367 -14.826 6.494 49 2HD LYS 7 2HD LYS 7 -15.326 -13.186 5.848 50 1HE LYS 7 1HE LYS 7 -14.283 -14.373 3.721 51 2HE LYS 7 2HE LYS 7 -15.096 -15.803 4.388 52 1HZ LYS 7 1HZ LYS 7 -17.122 -14.437 4.614 53 2HZ LYS 7 2HZ LYS 7 -16.330 -13.151 3.836 54 3HZ LYS 7 3HZ LYS 7 -16.632 -14.591 2.995 55 H TYR 8 H TYR 8 -9.770 -14.488 7.458 56 HA TYR 8 HA TYR 8 -8.834 -12.027 8.915 57 1HB TYR 8 1HB TYR 8 -7.793 -14.846 8.800 58 2HB TYR 8 2HB TYR 8 -6.661 -13.521 9.061 59 HD1 TYR 8 HD1 TYR 8 -9.897 -14.901 10.313 60 HD2 TYR 8 HD2 TYR 8 -6.368 -12.631 11.216 61 HE1 TYR 8 HE1 TYR 8 -10.574 -14.821 12.696 62 HE2 TYR 8 HE2 TYR 8 -7.042 -12.540 13.605 63 HH TYR 8 HH TYR 8 -9.302 -14.533 14.950 64 H GLU 9 H GLU 9 -7.158 -10.848 7.853 65 HA GLU 9 HA GLU 9 -6.628 -11.671 5.015 66 1HB GLU 9 1HB GLU 9 -6.670 -9.278 4.495 67 2HB GLU 9 2HB GLU 9 -8.154 -9.713 5.342 68 1HG GLU 9 1HG GLU 9 -7.305 -8.820 7.422 69 2HG GLU 9 2HG GLU 9 -5.708 -8.567 6.719 70 H CYS 10 H CYS 10 -4.463 -11.595 4.354 71 HA CYS 10 HA CYS 10 -2.413 -11.443 6.437 72 1HB CYS 10 1HB CYS 10 -2.649 -12.931 4.281 73 2HB CYS 10 2HB CYS 10 -1.927 -11.546 3.483 74 H GLU 11 H GLU 11 -1.711 -9.429 7.096 75 HA GLU 11 HA GLU 11 -1.948 -7.047 5.458 76 1HB GLU 11 1HB GLU 11 -1.261 -7.839 8.125 77 2HB GLU 11 2HB GLU 11 0.018 -6.790 7.517 78 1HG GLU 11 1HG GLU 11 -1.509 -5.018 7.065 79 2HG GLU 11 2HG GLU 11 -2.907 -6.079 7.228 80 H ALA 12 H ALA 12 0.269 -9.656 5.492 81 HA ALA 12 HA ALA 12 2.611 -8.122 4.618 82 1HB ALA 12 1HB ALA 12 1.905 -11.035 4.976 83 2HB ALA 12 2HB ALA 12 3.471 -10.522 4.350 84 3HB ALA 12 3HB ALA 12 2.971 -10.046 5.973 85 H CYS 13 H CYS 13 0.244 -10.354 3.053 86 HA CYS 13 HA CYS 13 1.394 -9.429 0.445 87 1HB CYS 13 1HB CYS 13 1.145 -11.649 -0.378 88 2HB CYS 13 2HB CYS 13 1.804 -11.832 1.244 89 H GLY 14 H GLY 14 -1.582 -10.214 2.200 90 1HA GLY 14 1HA GLY 14 -3.545 -8.761 1.702 91 2HA GLY 14 2HA GLY 14 -3.088 -8.846 0.002 92 H TYR 15 H TYR 15 -2.812 -11.739 1.874 93 HA TYR 15 HA TYR 15 -4.816 -13.080 0.210 94 1HB TYR 15 1HB TYR 15 -2.715 -14.165 0.795 95 2HB TYR 15 2HB TYR 15 -3.028 -13.927 2.513 96 HD1 TYR 15 HD1 TYR 15 -3.964 -15.838 -0.498 97 HD2 TYR 15 HD2 TYR 15 -4.668 -15.282 3.703 98 HE1 TYR 15 HE1 TYR 15 -5.200 -17.986 -0.422 99 HE2 TYR 15 HE2 TYR 15 -5.904 -17.431 3.779 100 HH TYR 15 HH TYR 15 -6.904 -19.075 0.964 101 H ILE 16 H ILE 16 -6.490 -14.503 1.369 102 HA ILE 16 HA ILE 16 -7.511 -13.207 3.871 103 HB ILE 16 HB ILE 16 -8.985 -13.869 1.305 104 1HG1 ILE 16 1HG1 ILE 16 -7.655 -11.765 1.347 105 2HG1 ILE 16 2HG1 ILE 16 -9.388 -11.463 1.217 106 1HG2 ILE 16 1HG2 ILE 16 -9.932 -13.689 4.045 107 2HG2 ILE 16 2HG2 ILE 16 -10.664 -12.435 3.043 108 3HG2 ILE 16 3HG2 ILE 16 -10.822 -14.132 2.587 109 1HD1 ILE 16 1HD1 ILE 16 -8.798 -11.607 3.987 110 2HD1 ILE 16 2HD1 ILE 16 -7.552 -10.592 3.262 111 3HD1 ILE 16 3HD1 ILE 16 -9.254 -10.176 3.061 112 H TYR 17 H TYR 17 -7.560 -14.823 5.372 113 HA TYR 17 HA TYR 17 -7.719 -17.644 4.596 114 1HB TYR 17 1HB TYR 17 -6.310 -16.994 6.443 115 2HB TYR 17 2HB TYR 17 -7.633 -16.126 7.222 116 HD1 TYR 17 HD1 TYR 17 -6.668 -19.552 6.038 117 HD2 TYR 17 HD2 TYR 17 -8.972 -17.218 8.814 118 HE1 TYR 17 HE1 TYR 17 -7.340 -21.625 7.225 119 HE2 TYR 17 HE2 TYR 17 -9.644 -19.292 9.999 120 HH TYR 17 HH TYR 17 -9.863 -21.745 9.427 121 H GLU 18 H GLU 18 -9.560 -18.866 4.549 122 HA GLU 18 HA GLU 18 -12.100 -17.624 5.545 123 1HB GLU 18 1HB GLU 18 -11.475 -19.593 3.322 124 2HB GLU 18 2HB GLU 18 -13.112 -19.143 3.798 125 1HG GLU 18 1HG GLU 18 -12.387 -16.711 3.421 126 2HG GLU 18 2HG GLU 18 -10.961 -17.372 2.621 127 HA PRO 19 HA PRO 19 -11.685 -21.118 8.375 128 1HB PRO 19 1HB PRO 19 -13.769 -20.406 10.003 129 2HB PRO 19 2HB PRO 19 -12.151 -19.709 10.123 130 1HG PRO 19 1HG PRO 19 -14.603 -18.574 8.905 131 2HG PRO 19 2HG PRO 19 -13.308 -17.773 9.794 132 1HD PRO 19 1HD PRO 19 -13.556 -17.738 7.057 133 2HD PRO 19 2HD PRO 19 -12.027 -17.498 7.926 134 H GLU 20 H GLU 20 -15.036 -20.057 7.882 135 HA GLU 20 HA GLU 20 -16.380 -22.478 7.957 136 1HB GLU 20 1HB GLU 20 -16.699 -19.862 6.594 137 2HB GLU 20 2HB GLU 20 -17.700 -21.173 5.969 138 1HG GLU 20 1HG GLU 20 -17.952 -21.498 8.694 139 2HG GLU 20 2HG GLU 20 -17.872 -19.743 8.533 140 H LYS 21 H LYS 21 -14.303 -21.295 5.378 141 HA LYS 21 HA LYS 21 -15.095 -23.550 3.608 142 1HB LYS 21 1HB LYS 21 -13.204 -21.212 3.184 143 2HB LYS 21 2HB LYS 21 -13.820 -22.291 1.933 144 1HG LYS 21 1HG LYS 21 -16.000 -21.187 3.494 145 2HG LYS 21 2HG LYS 21 -15.000 -19.898 2.825 146 1HD LYS 21 1HD LYS 21 -16.432 -20.273 1.038 147 2HD LYS 21 2HD LYS 21 -15.135 -21.398 0.635 148 1HE LYS 21 2HE LYS 21 -16.747 -22.894 2.335 149 2HE LYS 21 1HE LYS 21 -16.792 -22.973 0.563 150 1HZ LYS 21 1HZ LYS 21 -18.315 -21.024 0.636 151 2HZ LYS 21 2HZ LYS 21 -18.978 -22.424 1.335 152 3HZ LYS 21 3HZ LYS 21 -18.384 -21.183 2.326 153 H GLY 22 H GLY 22 -12.332 -22.288 5.426 154 1HA GLY 22 1HA GLY 22 -10.536 -23.569 6.312 155 2HA GLY 22 2HA GLY 22 -11.122 -24.962 5.406 156 H ASP 23 H ASP 23 -8.389 -23.851 5.587 157 HA ASP 23 HA ASP 23 -7.818 -22.695 2.946 158 1HB ASP 23 1HB ASP 23 -6.684 -22.631 5.467 159 2HB ASP 23 2HB ASP 23 -5.612 -23.729 4.596 160 H LYS 24 H LYS 24 -8.997 -24.898 2.204 161 HA LYS 24 HA LYS 24 -7.895 -27.438 2.235 162 1HB LYS 24 1HB LYS 24 -9.600 -25.832 0.558 163 2HB LYS 24 2HB LYS 24 -8.593 -26.865 -0.457 164 1HG LYS 24 1HG LYS 24 -9.257 -28.809 1.010 165 2HG LYS 24 2HG LYS 24 -10.405 -27.736 1.811 166 1HD LYS 24 1HD LYS 24 -11.164 -27.230 -0.679 167 2HD LYS 24 2HD LYS 24 -10.444 -28.810 -0.987 168 1HE LYS 24 2HE LYS 24 -11.865 -29.495 1.164 169 2HE LYS 24 1HE LYS 24 -12.639 -29.419 -0.431 170 1HZ LYS 24 1HZ LYS 24 -12.413 -27.052 1.344 171 2HZ LYS 24 2HZ LYS 24 -13.421 -27.254 -0.010 172 3HZ LYS 24 3HZ LYS 24 -13.745 -28.104 1.422 173 H PHE 25 H PHE 25 -6.584 -24.606 0.616 174 HA PHE 25 HA PHE 25 -4.701 -26.038 -1.073 175 1HB PHE 25 1HB PHE 25 -5.659 -23.399 -0.625 176 2HB PHE 25 2HB PHE 25 -3.908 -23.346 -0.423 177 HD1 PHE 25 HD1 PHE 25 -6.590 -24.562 -2.728 178 HD2 PHE 25 HD2 PHE 25 -2.480 -23.388 -2.297 179 HE1 PHE 25 HE1 PHE 25 -6.300 -24.672 -5.189 180 HE2 PHE 25 HE2 PHE 25 -2.192 -23.498 -4.759 181 HZ PHE 25 HZ PHE 25 -4.102 -24.141 -6.204 182 H ALA 26 H ALA 26 -4.685 -24.864 2.238 183 HA ALA 26 HA ALA 26 -1.759 -25.388 2.482 184 1HB ALA 26 3HB ALA 26 -2.122 -23.406 3.566 185 2HB ALA 26 2HB ALA 26 -2.620 -24.449 4.898 186 3HB ALA 26 1HB ALA 26 -3.832 -23.754 3.822 187 H GLY 27 H GLY 27 -4.893 -26.642 3.437 188 1HA GLY 27 1HA GLY 27 -4.831 -29.120 3.958 189 2HA GLY 27 2HA GLY 27 -3.491 -28.746 5.039 190 H ILE 28 H ILE 28 -6.062 -26.425 4.936 191 HA ILE 28 HA ILE 28 -6.966 -27.395 7.619 192 HB ILE 28 HB ILE 28 -6.806 -24.675 6.295 193 1HG1 ILE 28 1HG1 ILE 28 -5.667 -25.039 8.957 194 2HG1 ILE 28 2HG1 ILE 28 -4.975 -26.156 7.781 195 1HG2 ILE 28 1HG2 ILE 28 -8.096 -25.486 8.917 196 2HG2 ILE 28 2HG2 ILE 28 -7.664 -23.823 8.519 197 3HG2 ILE 28 3HG2 ILE 28 -8.870 -24.676 7.555 198 1HD1 ILE 28 1HD1 ILE 28 -4.498 -24.265 6.266 199 2HD1 ILE 28 2HD1 ILE 28 -5.188 -23.148 7.443 200 3HD1 ILE 28 3HD1 ILE 28 -3.713 -24.035 7.829 201 HA PRO 29 HA PRO 29 -10.720 -28.198 5.255 202 1HB PRO 29 1HB PRO 29 -12.121 -29.332 7.319 203 2HB PRO 29 2HB PRO 29 -10.906 -30.212 6.372 204 1HG PRO 29 1HG PRO 29 -10.661 -28.928 9.055 205 2HG PRO 29 2HG PRO 29 -10.015 -30.474 8.486 206 1HD PRO 29 1HD PRO 29 -8.506 -28.223 8.699 207 2HD PRO 29 2HD PRO 29 -8.189 -29.488 7.493 208 HA PRO 30 HA PRO 30 -13.382 -24.889 6.417 209 1HB PRO 30 1HB PRO 30 -15.901 -25.938 6.229 210 2HB PRO 30 2HB PRO 30 -14.902 -25.564 4.810 211 1HG PRO 30 1HG PRO 30 -15.364 -28.177 6.176 212 2HG PRO 30 2HG PRO 30 -15.318 -27.812 4.444 213 1HD PRO 30 1HD PRO 30 -13.229 -28.931 5.750 214 2HD PRO 30 2HD PRO 30 -13.008 -27.825 4.377 215 H GLY 31 H GLY 31 -15.753 -24.812 7.814 216 1HA GLY 31 1HA GLY 31 -16.478 -24.650 10.049 217 2HA GLY 31 2HA GLY 31 -16.152 -26.382 10.075 218 H THR 32 H THR 32 -13.565 -24.079 9.512 219 HA THR 32 HA THR 32 -12.576 -24.583 12.298 220 HB THR 32 HB THR 32 -11.042 -24.561 9.681 221 HG1 THR 32 HG1 THR 32 -10.733 -26.820 10.461 222 1HG2 THR 32 1HG2 THR 32 -10.247 -24.502 12.530 223 2HG2 THR 32 2HG2 THR 32 -9.404 -25.691 11.537 224 3HG2 THR 32 3HG2 THR 32 -9.355 -23.983 11.100 225 HA PRO 33 HA PRO 33 -12.443 -20.096 11.999 226 1HB PRO 33 1HB PRO 33 -11.754 -19.640 14.605 227 2HB PRO 33 2HB PRO 33 -13.410 -20.013 14.094 228 1HG PRO 33 1HG PRO 33 -11.359 -21.777 15.335 229 2HG PRO 33 2HG PRO 33 -13.108 -21.727 15.593 230 1HD PRO 33 1HD PRO 33 -11.833 -23.588 14.034 231 2HD PRO 33 2HD PRO 33 -13.528 -23.106 13.820 232 H PHE 34 H PHE 34 -10.728 -18.468 12.186 233 HA PHE 34 HA PHE 34 -8.115 -19.408 11.455 234 1HB PHE 34 1HB PHE 34 -8.945 -17.284 10.706 235 2HB PHE 34 2HB PHE 34 -9.284 -16.759 12.346 236 HD1 PHE 34 HD1 PHE 34 -6.635 -17.363 9.847 237 HD2 PHE 34 HD2 PHE 34 -7.513 -15.965 13.814 238 HE1 PHE 34 HE1 PHE 34 -4.367 -16.373 10.001 239 HE2 PHE 34 HE2 PHE 34 -5.247 -14.973 13.966 240 HZ PHE 34 HZ PHE 34 -3.673 -15.176 12.060 241 H VAL 35 H VAL 35 -9.568 -18.531 14.540 242 HA VAL 35 HA VAL 35 -7.127 -18.232 16.044 243 HB VAL 35 HB VAL 35 -8.684 -18.389 17.947 244 1HG1 VAL 35 1HG1 VAL 35 -8.621 -16.411 16.213 245 2HG1 VAL 35 2HG1 VAL 35 -10.233 -16.988 15.788 246 3HG1 VAL 35 3HG1 VAL 35 -9.892 -16.457 17.435 247 1HG2 VAL 35 1HG2 VAL 35 -10.070 -20.135 16.210 248 2HG2 VAL 35 2HG2 VAL 35 -10.538 -19.665 17.843 249 3HG2 VAL 35 3HG2 VAL 35 -11.132 -18.750 16.458 250 H ASP 36 H ASP 36 -8.591 -21.009 14.683 251 HA ASP 36 HA ASP 36 -7.369 -22.808 16.733 252 1HB ASP 36 1HB ASP 36 -9.651 -22.880 14.836 253 2HB ASP 36 2HB ASP 36 -8.800 -24.407 15.066 254 H LEU 37 H LEU 37 -6.562 -21.429 13.773 255 HA LEU 37 HA LEU 37 -5.568 -23.493 12.152 256 1HB LEU 37 1HB LEU 37 -4.627 -20.695 12.799 257 2HB LEU 37 2HB LEU 37 -3.816 -21.674 11.576 258 HG LEU 37 HG LEU 37 -6.784 -21.035 11.593 259 1HD1 LEU 37 1HD1 LEU 37 -4.966 -19.176 11.104 260 2HD1 LEU 37 2HD1 LEU 37 -4.836 -20.009 9.555 261 3HD1 LEU 37 3HD1 LEU 37 -6.382 -19.329 10.063 262 1HD2 LEU 37 1HD2 LEU 37 -5.271 -23.047 10.280 263 2HD2 LEU 37 2HD2 LEU 37 -6.957 -22.616 9.999 264 3HD2 LEU 37 3HD2 LEU 37 -5.681 -21.842 9.060 265 H SER 38 H SER 38 -3.289 -24.257 11.936 266 HA SER 38 HA SER 38 -2.239 -25.535 14.188 267 1HB SER 38 1HB SER 38 -1.703 -25.748 11.683 268 2HB SER 38 2HB SER 38 -0.567 -24.421 11.926 269 HG SER 38 HG SER 38 -0.512 -27.036 12.916 270 H ASP 39 H ASP 39 -0.148 -25.054 15.342 271 HA ASP 39 HA ASP 39 -0.193 -22.489 16.615 272 1HB ASP 39 1HB ASP 39 1.380 -24.979 16.606 273 2HB ASP 39 2HB ASP 39 2.312 -23.553 17.066 274 H SER 40 H SER 40 1.464 -23.678 13.760 275 HA SER 40 HA SER 40 2.733 -20.978 13.452 276 1HB SER 40 1HB SER 40 4.677 -22.226 12.477 277 2HB SER 40 2HB SER 40 4.388 -22.627 14.170 278 HG SER 40 HG SER 40 3.365 -24.502 13.532 279 H PHE 41 H PHE 41 0.293 -21.398 12.266 280 HA PHE 41 HA PHE 41 0.326 -22.651 9.691 281 1HB PHE 41 1HB PHE 41 -1.764 -22.157 10.683 282 2HB PHE 41 2HB PHE 41 -1.306 -20.511 11.065 283 HD1 PHE 41 HD1 PHE 41 -2.145 -22.815 8.257 284 HD2 PHE 41 HD2 PHE 41 -1.674 -18.734 9.517 285 HE1 PHE 41 HE1 PHE 41 -3.146 -22.040 6.126 286 HE2 PHE 41 HE2 PHE 41 -2.675 -17.960 7.385 287 HZ PHE 41 HZ PHE 41 -3.409 -19.613 5.689 288 H MET 42 H MET 42 1.190 -21.949 7.772 289 HA MET 42 HA MET 42 2.366 -19.194 7.701 290 1HB MET 42 2HB MET 42 3.937 -20.159 6.101 291 2HB MET 42 1HB MET 42 3.015 -21.660 6.051 292 1HG MET 42 1HG MET 42 3.857 -20.768 8.751 293 2HG MET 42 2HG MET 42 3.853 -22.387 8.054 294 1HE MET 42 1HE MET 42 5.542 -19.821 9.468 295 2HE MET 42 2HE MET 42 6.540 -21.232 9.847 296 3HE MET 42 3HE MET 42 7.237 -19.861 8.986 297 H CYS 43 H CYS 43 1.838 -17.852 5.936 298 HA CYS 43 HA CYS 43 -0.679 -18.083 4.694 299 1HB CYS 43 1HB CYS 43 0.963 -16.107 4.941 300 2HB CYS 43 2HB CYS 43 1.714 -16.721 3.471 301 HA PRO 44 HA PRO 44 0.243 -21.084 1.546 302 1HB PRO 44 1HB PRO 44 -2.093 -20.877 0.143 303 2HB PRO 44 2HB PRO 44 -1.972 -21.732 1.692 304 1HG PRO 44 2HG PRO 44 -3.584 -20.227 2.293 305 2HG PRO 44 1HG PRO 44 -3.069 -19.043 1.086 306 1HD PRO 44 1HD PRO 44 -2.060 -17.969 2.810 307 2HD PRO 44 2HD PRO 44 -2.172 -19.393 3.866 308 H ALA 45 H ALA 45 0.051 -17.744 1.164 309 HA ALA 45 HA ALA 45 0.682 -17.931 -1.758 310 1HB ALA 45 3HB ALA 45 -1.349 -16.745 -1.529 311 2HB ALA 45 1HB ALA 45 -0.804 -15.930 -0.064 312 3HB ALA 45 2HB ALA 45 -0.139 -15.466 -1.630 313 H CYS 46 H CYS 46 1.442 -16.261 1.300 314 HA CYS 46 HA CYS 46 4.066 -15.518 0.072 315 1HB CYS 46 2HB CYS 46 2.152 -13.772 0.667 316 2HB CYS 46 1HB CYS 46 3.846 -13.375 0.918 317 H ARG 47 H ARG 47 2.889 -17.733 2.056 318 HA ARG 47 HA ARG 47 3.742 -19.003 3.844 319 1HB ARG 47 1HB ARG 47 5.683 -18.404 1.989 320 2HB ARG 47 2HB ARG 47 6.453 -17.923 3.502 321 1HG ARG 47 1HG ARG 47 5.958 -20.129 4.471 322 2HG ARG 47 2HG ARG 47 5.143 -20.612 2.983 323 1HD ARG 47 1HD ARG 47 7.611 -19.730 2.067 324 2HD ARG 47 2HD ARG 47 8.015 -20.549 3.588 325 HE ARG 47 HE ARG 47 6.218 -21.871 1.592 326 1HH1 ARG 47 1HH1 ARG 47 9.472 -21.676 2.227 327 2HH1 ARG 47 2HH1 ARG 47 9.708 -23.361 2.550 328 1HH2 ARG 47 1HH2 ARG 47 6.320 -24.100 2.588 329 2HH2 ARG 47 2HH2 ARG 47 7.923 -24.733 2.753 330 H SER 48 H SER 48 3.176 -15.909 4.328 331 HA SER 48 HA SER 48 4.980 -15.112 6.431 332 1HB SER 48 1HB SER 48 3.698 -13.417 5.413 333 2HB SER 48 2HB SER 48 2.214 -14.364 5.496 334 HG SER 48 HG SER 48 2.906 -12.543 7.150 335 HA PRO 49 HA PRO 49 3.464 -17.557 9.763 336 1HB PRO 49 1HB PRO 49 3.808 -15.852 11.880 337 2HB PRO 49 2HB PRO 49 5.152 -16.685 11.077 338 1HG PRO 49 1HG PRO 49 4.190 -13.880 10.758 339 2HG PRO 49 2HG PRO 49 5.845 -14.504 10.807 340 1HD PRO 49 1HD PRO 49 4.569 -13.824 8.498 341 2HD PRO 49 2HD PRO 49 5.830 -15.071 8.582 342 H LYS 50 H LYS 50 1.491 -17.910 10.826 343 HA LYS 50 HA LYS 50 -0.847 -16.553 10.098 344 1HB LYS 50 1HB LYS 50 -0.585 -18.795 11.215 345 2HB LYS 50 2HB LYS 50 -0.274 -17.950 12.731 346 1HG LYS 50 1HG LYS 50 -2.522 -16.740 12.280 347 2HG LYS 50 2HG LYS 50 -2.819 -18.028 11.112 348 1HD LYS 50 1HD LYS 50 -2.897 -19.682 12.755 349 2HD LYS 50 2HD LYS 50 -1.927 -18.742 13.891 350 1HE LYS 50 1HE LYS 50 -4.675 -17.800 13.048 351 2HE LYS 50 2HE LYS 50 -4.461 -18.932 14.395 352 1HZ LYS 50 1HZ LYS 50 -2.672 -17.319 15.174 353 2HZ LYS 50 2HZ LYS 50 -3.346 -16.203 14.089 354 3HZ LYS 50 3HZ LYS 50 -4.285 -16.817 15.364 355 H ASN 51 H ASN 51 1.486 -15.678 12.561 356 HA ASN 51 HA ASN 51 -0.198 -13.891 14.063 357 1HB ASN 51 1HB ASN 51 2.739 -14.361 13.647 358 2HB ASN 51 2HB ASN 51 2.224 -12.923 14.530 359 2HD2 ASN 51 2HD2 ASN 51 3.395 -14.184 16.376 360 1HD2 ASN 51 1HD2 ASN 51 2.458 -15.288 17.261 361 H GLN 52 H GLN 52 1.052 -13.685 10.887 362 HA GLN 52 HA GLN 52 1.115 -10.725 10.870 363 1HB GLN 52 1HB GLN 52 2.341 -12.867 9.470 364 2HB GLN 52 2HB GLN 52 1.352 -12.001 8.295 365 1HG GLN 52 1HG GLN 52 3.402 -10.746 10.147 366 2HG GLN 52 2HG GLN 52 3.615 -11.026 8.418 367 2HE2 GLN 52 2HE2 GLN 52 1.151 -10.211 7.375 368 1HE2 GLN 52 1HE2 GLN 52 0.893 -8.567 7.713 369 H PHE 53 H PHE 53 -1.296 -13.042 10.728 370 HA PHE 53 HA PHE 53 -2.836 -11.795 8.526 371 1HB PHE 53 1HB PHE 53 -3.231 -14.094 10.451 372 2HB PHE 53 2HB PHE 53 -4.501 -13.574 9.345 373 HD1 PHE 53 HD1 PHE 53 -0.906 -14.596 9.423 374 HD2 PHE 53 HD2 PHE 53 -4.522 -14.335 7.120 375 HE1 PHE 53 HE1 PHE 53 0.170 -15.868 7.589 376 HE2 PHE 53 HE2 PHE 53 -3.444 -15.605 5.284 377 HZ PHE 53 HZ PHE 53 -1.099 -16.373 5.521 378 H LYS 54 H LYS 54 -4.206 -10.114 8.897 379 HA LYS 54 HA LYS 54 -4.932 -9.441 11.710 380 1HB LYS 54 1HB LYS 54 -3.821 -7.891 9.909 381 2HB LYS 54 2HB LYS 54 -5.452 -7.776 9.250 382 1HG LYS 54 1HG LYS 54 -6.036 -7.303 11.822 383 2HG LYS 54 2HG LYS 54 -4.367 -6.731 11.825 384 1HD LYS 54 1HD LYS 54 -5.093 -5.478 9.628 385 2HD LYS 54 2HD LYS 54 -6.721 -5.697 10.269 386 1HE LYS 54 1HE LYS 54 -6.323 -4.314 12.108 387 2HE LYS 54 2HE LYS 54 -4.574 -4.610 12.078 388 1HZ LYS 54 1HZ LYS 54 -6.122 -3.145 9.998 389 2HZ LYS 54 2HZ LYS 54 -5.121 -2.420 11.162 390 3HZ LYS 54 3HZ LYS 54 -4.447 -3.424 9.973 391 H SER 55 H SER 55 -7.039 -9.736 12.384 392 HA SER 55 HA SER 55 -8.955 -11.158 10.830 393 1HB SER 55 1HB SER 55 -9.225 -11.246 13.152 394 2HB SER 55 2HB SER 55 -8.957 -9.519 13.340 395 HG SER 55 HG SER 55 -11.075 -9.607 13.506 396 H ILE 56 H ILE 56 -11.267 -10.112 10.625 397 HA ILE 56 HA ILE 56 -11.323 -7.300 9.785 398 HB ILE 56 HB ILE 56 -12.094 -8.066 7.433 399 1HG1 ILE 56 1HG1 ILE 56 -10.563 -10.549 8.269 400 2HG1 ILE 56 2HG1 ILE 56 -12.312 -10.475 8.057 401 1HG2 ILE 56 1HG2 ILE 56 -9.757 -7.130 8.289 402 2HG2 ILE 56 2HG2 ILE 56 -9.210 -8.742 7.826 403 3HG2 ILE 56 3HG2 ILE 56 -9.964 -7.690 6.630 404 1HD1 ILE 56 1HD1 ILE 56 -10.261 -9.852 5.910 405 2HD1 ILE 56 2HD1 ILE 56 -11.186 -11.349 6.028 406 3HD1 ILE 56 3HD1 ILE 56 -12.011 -9.825 5.703 407 H LYS 57 H LYS 57 -13.083 -7.141 11.254 408 HA LYS 57 HA LYS 57 -15.495 -8.808 10.644 409 1HB LYS 57 1HB LYS 57 -16.153 -8.076 12.956 410 2HB LYS 57 2HB LYS 57 -14.625 -8.955 12.922 411 1HG LYS 57 1HG LYS 57 -13.368 -7.060 13.362 412 2HG LYS 57 2HG LYS 57 -14.549 -5.976 12.627 413 1HD LYS 57 2HD LYS 57 -16.084 -6.390 14.538 414 2HD LYS 57 1HD LYS 57 -14.552 -5.690 15.064 415 1HE LYS 57 1HE LYS 57 -15.508 -8.544 15.344 416 2HE LYS 57 2HE LYS 57 -13.782 -8.144 15.425 417 1HZ LYS 57 1HZ LYS 57 -14.510 -6.311 17.012 418 2HZ LYS 57 2HZ LYS 57 -15.989 -7.139 17.130 419 3HZ LYS 57 3HZ LYS 57 -14.552 -7.899 17.616 420 H LYS 58 H LYS 58 -15.529 -7.090 8.728 421 HA LYS 58 HA LYS 58 -17.083 -4.697 9.662 422 1HB LYS 58 1HB LYS 58 -14.758 -5.064 7.938 423 2HB LYS 58 2HB LYS 58 -16.046 -4.185 7.114 424 1HG LYS 58 1HG LYS 58 -15.617 -3.329 9.897 425 2HG LYS 58 2HG LYS 58 -14.229 -3.052 8.846 426 1HD LYS 58 1HD LYS 58 -15.326 -1.487 7.592 427 2HD LYS 58 2HD LYS 58 -16.867 -2.336 7.698 428 1HE LYS 58 1HE LYS 58 -17.317 -1.448 9.876 429 2HE LYS 58 2HE LYS 58 -15.647 -0.884 10.064 430 1HZ LYS 58 1HZ LYS 58 -15.991 0.532 8.094 431 2HZ LYS 58 2HZ LYS 58 -17.619 0.056 8.042 432 3HZ LYS 58 3HZ LYS 58 -17.038 0.947 9.367 433 H VAL 59 H VAL 59 -18.805 -6.596 9.394 434 HA VAL 59 HA VAL 59 -19.574 -7.169 6.613 435 HB VAL 59 HB VAL 59 -21.379 -8.433 7.769 436 1HG1 VAL 59 1HG1 VAL 59 -18.500 -8.693 8.531 437 2HG1 VAL 59 2HG1 VAL 59 -19.671 -9.703 9.381 438 3HG1 VAL 59 3HG1 VAL 59 -19.526 -9.807 7.626 439 1HG2 VAL 59 1HG2 VAL 59 -20.884 -6.527 9.802 440 2HG2 VAL 59 2HG2 VAL 59 -22.046 -7.854 9.840 441 3HG2 VAL 59 3HG2 VAL 59 -20.415 -8.091 10.467 442 H ILE 60 H ILE 60 -21.701 -6.547 5.760 443 HA ILE 60 HA ILE 60 -22.781 -4.026 6.985 444 HB ILE 60 HB ILE 60 -22.557 -4.822 4.063 445 1HG1 ILE 60 1HG1 ILE 60 -20.976 -2.720 5.564 446 2HG1 ILE 60 2HG1 ILE 60 -20.373 -4.353 5.278 447 1HG2 ILE 60 1HG2 ILE 60 -24.153 -2.882 5.386 448 2HG2 ILE 60 2HG2 ILE 60 -22.859 -2.006 4.569 449 3HG2 ILE 60 3HG2 ILE 60 -23.916 -3.076 3.649 450 1HD1 ILE 60 1HD1 ILE 60 -21.454 -2.899 2.915 451 2HD1 ILE 60 2HD1 ILE 60 -19.921 -2.317 3.565 452 3HD1 ILE 60 3HD1 ILE 60 -20.073 -3.990 3.029 453 H ALA 61 H ALA 61 -24.341 -5.525 8.091 454 HA ALA 61 HA ALA 61 -26.094 -7.318 6.784 455 1HB ALA 61 1HB ALA 61 -26.561 -5.463 9.143 456 2HB ALA 61 2HB ALA 61 -27.518 -6.899 8.775 457 3HB ALA 61 3HB ALA 61 -25.818 -7.062 9.221 458 H GLY 62 H GLY 62 -28.410 -6.959 6.236 459 1HA GLY 62 1HA GLY 62 -29.030 -4.155 5.424 460 2HA GLY 62 2HA GLY 62 -29.221 -5.469 4.262 461 H PHE 63 H PHE 63 -31.208 -6.427 4.206 462 HA PHE 63 HA PHE 63 -32.856 -6.532 6.675 463 1HB PHE 63 1HB PHE 63 -33.082 -4.460 4.854 464 2HB PHE 63 2HB PHE 63 -34.336 -5.582 4.322 465 HD1 PHE 63 HD1 PHE 63 -32.987 -3.900 7.381 466 HD2 PHE 63 HD2 PHE 63 -36.389 -5.694 5.468 467 HE1 PHE 63 HE1 PHE 63 -34.425 -3.190 9.272 468 HE2 PHE 63 HE2 PHE 63 -37.827 -4.983 7.358 469 HZ PHE 63 HZ PHE 63 -36.845 -3.729 9.260 470 H ALA 64 H ALA 64 -35.075 -7.667 5.971 471 HA ALA 64 HA ALA 64 -35.020 -9.437 3.683 472 1HB ALA 64 1HB ALA 64 -33.400 -10.102 5.914 473 2HB ALA 64 2HB ALA 64 -34.777 -11.204 5.954 474 3HB ALA 64 3HB ALA 64 -33.759 -11.116 4.516 475 H GLU 65 H GLU 65 -37.154 -9.920 3.337 476 HA GLU 65 HA GLU 65 -38.933 -10.505 5.645 477 1HB GLU 65 1HB GLU 65 -40.554 -8.797 4.795 478 2HB GLU 65 2HB GLU 65 -39.036 -8.075 5.331 479 1HG GLU 65 1HG GLU 65 -38.745 -8.813 2.582 480 2HG GLU 65 2HG GLU 65 -40.250 -7.909 2.750 481 H ASN 66 H ASN 66 -38.491 -12.607 4.287 482 HA ASN 66 HA ASN 66 -40.577 -12.774 2.137 483 1HB ASN 66 1HB ASN 66 -37.772 -13.910 2.284 484 2HB ASN 66 2HB ASN 66 -38.956 -14.431 1.086 485 2HD2 ASN 66 2HD2 ASN 66 -36.595 -12.029 1.799 486 1HD2 ASN 66 1HD2 ASN 66 -36.965 -10.964 0.530 487 H GLN 67 H GLN 67 -42.176 -14.053 2.990 488 HA GLN 67 HA GLN 67 -41.360 -16.437 4.621 489 1HB GLN 67 1HB GLN 67 -43.648 -16.152 5.619 490 2HB GLN 67 2HB GLN 67 -42.607 -14.750 5.869 491 1HG GLN 67 1HG GLN 67 -43.887 -13.412 4.543 492 2HG GLN 67 2HG GLN 67 -44.167 -14.691 3.362 493 2HE2 GLN 67 2HE2 GLN 67 -44.910 -14.621 6.888 494 1HE2 GLN 67 1HE2 GLN 67 -46.574 -14.896 6.694 495 H LYS 68 H LYS 68 -43.713 -17.865 4.533 496 HA LYS 68 HA LYS 68 -44.292 -18.254 1.618 497 1HB LYS 68 1HB LYS 68 -43.053 -20.048 3.630 498 2HB LYS 68 2HB LYS 68 -44.273 -20.795 2.598 499 1HG LYS 68 1HG LYS 68 -43.072 -20.326 0.628 500 2HG LYS 68 2HG LYS 68 -42.104 -19.076 1.407 501 1HD LYS 68 1HD LYS 68 -40.766 -21.116 1.058 502 2HD LYS 68 2HD LYS 68 -40.985 -20.803 2.780 503 1HE LYS 68 1HE LYS 68 -42.796 -22.455 2.885 504 2HE LYS 68 2HE LYS 68 -42.674 -22.727 1.136 505 1HZ LYS 68 1HZ LYS 68 -40.259 -23.213 1.545 506 2HZ LYS 68 2HZ LYS 68 -40.605 -23.235 3.208 507 3HZ LYS 68 3HZ LYS 68 -41.330 -24.369 2.171 508 H TYR 69 H TYR 69 -46.472 -17.854 1.484 509 HA TYR 69 HA TYR 69 -48.280 -19.315 3.352 510 1HB TYR 69 1HB TYR 69 -47.609 -16.642 3.644 511 2HB TYR 69 2HB TYR 69 -49.119 -16.568 2.734 512 HD1 TYR 69 HD1 TYR 69 -47.591 -18.339 5.669 513 HD2 TYR 69 HD2 TYR 69 -51.145 -16.706 3.892 514 HE1 TYR 69 HE1 TYR 69 -48.861 -18.855 7.735 515 HE2 TYR 69 HE2 TYR 69 -52.416 -17.222 5.959 516 HH TYR 69 HH TYR 69 -51.099 -17.787 8.829 517 H GLY 70 H GLY 70 -48.479 -20.573 1.251 518 1HA GLY 70 1HA GLY 70 -49.596 -19.333 -1.098 519 2HA GLY 70 2HA GLY 70 -49.598 -21.064 -0.757 No H/Q in entry = 519 Start of MODEL 5 1 H1 MET 1 1H MET 1 -13.636 -6.945 3.141 2 H2 MET 1 2H MET 1 -13.610 -8.382 2.242 3 H3 MET 1 3H MET 1 -12.645 -7.067 1.766 4 HA MET 1 HA MET 1 -14.601 -5.765 1.227 5 1HB MET 1 1HB MET 1 -13.579 -8.110 -0.001 6 2HB MET 1 2HB MET 1 -15.327 -8.147 -0.230 7 1HG MET 1 2HG MET 1 -15.112 -5.689 -0.959 8 2HG MET 1 1HG MET 1 -14.498 -6.905 -2.079 9 1HE MET 1 1HE MET 1 -14.170 -4.137 -2.141 10 2HE MET 1 2HE MET 1 -13.174 -3.338 -0.918 11 3HE MET 1 3HE MET 1 -12.476 -3.784 -2.473 12 H GLU 2 H GLU 2 -15.928 -5.763 3.282 13 HA GLU 2 HA GLU 2 -17.943 -6.207 4.435 14 1HB GLU 2 1HB GLU 2 -18.497 -5.742 1.891 15 2HB GLU 2 2HB GLU 2 -18.934 -7.450 1.884 16 1HG GLU 2 1HG GLU 2 -19.976 -5.827 4.149 17 2HG GLU 2 2HG GLU 2 -20.677 -5.503 2.564 18 H ILE 3 H ILE 3 -16.509 -7.998 5.484 19 HA ILE 3 HA ILE 3 -17.966 -10.576 5.214 20 HB ILE 3 HB ILE 3 -15.794 -11.775 5.024 21 1HG1 ILE 3 1HG1 ILE 3 -14.526 -9.083 4.508 22 2HG1 ILE 3 2HG1 ILE 3 -14.543 -9.794 6.121 23 1HG2 ILE 3 1HG2 ILE 3 -17.175 -10.849 3.023 24 2HG2 ILE 3 2HG2 ILE 3 -15.870 -9.674 2.866 25 3HG2 ILE 3 3HG2 ILE 3 -15.528 -11.397 2.715 26 1HD1 ILE 3 1HD1 ILE 3 -13.448 -11.158 3.644 27 2HD1 ILE 3 2HD1 ILE 3 -12.464 -10.353 4.865 28 3HD1 ILE 3 3HD1 ILE 3 -13.397 -11.788 5.290 29 H ASP 4 H ASP 4 -17.980 -11.746 7.174 30 HA ASP 4 HA ASP 4 -16.316 -10.736 9.427 31 1HB ASP 4 1HB ASP 4 -18.374 -9.423 9.410 32 2HB ASP 4 2HB ASP 4 -19.330 -10.902 9.314 33 H GLU 5 H GLU 5 -17.154 -13.345 7.730 34 HA GLU 5 HA GLU 5 -17.970 -15.217 9.813 35 1HB GLU 5 1HB GLU 5 -17.308 -15.192 6.916 36 2HB GLU 5 2HB GLU 5 -17.079 -16.733 7.744 37 1HG GLU 5 1HG GLU 5 -19.617 -15.144 8.102 38 2HG GLU 5 2HG GLU 5 -19.416 -16.236 6.732 39 H GLY 6 H GLY 6 -15.882 -14.197 11.061 40 1HA GLY 6 1HA GLY 6 -13.734 -14.590 11.925 41 2HA GLY 6 2HA GLY 6 -14.080 -16.279 11.580 42 H LYS 7 H LYS 7 -14.026 -13.986 8.950 43 HA LYS 7 HA LYS 7 -11.844 -15.458 7.672 44 1HB LYS 7 1HB LYS 7 -13.869 -13.417 7.037 45 2HB LYS 7 2HB LYS 7 -12.339 -13.175 6.192 46 1HG LYS 7 1HG LYS 7 -12.465 -15.242 5.101 47 2HG LYS 7 2HG LYS 7 -13.561 -15.920 6.303 48 1HD LYS 7 1HD LYS 7 -15.416 -14.721 5.449 49 2HD LYS 7 2HD LYS 7 -14.389 -13.605 4.551 50 1HE LYS 7 1HE LYS 7 -13.648 -16.062 3.511 51 2HE LYS 7 2HE LYS 7 -15.393 -16.251 3.759 52 1HZ LYS 7 1HZ LYS 7 -14.179 -13.831 2.538 53 2HZ LYS 7 2HZ LYS 7 -14.719 -15.149 1.611 54 3HZ LYS 7 3HZ LYS 7 -15.818 -14.269 2.561 55 H TYR 8 H TYR 8 -9.687 -14.880 7.732 56 HA TYR 8 HA TYR 8 -9.011 -12.288 9.087 57 1HB TYR 8 1HB TYR 8 -7.822 -15.047 8.989 58 2HB TYR 8 2HB TYR 8 -6.770 -13.677 9.335 59 HD1 TYR 8 HD1 TYR 8 -10.266 -14.642 10.298 60 HD2 TYR 8 HD2 TYR 8 -6.373 -13.412 11.611 61 HE1 TYR 8 HE1 TYR 8 -11.076 -14.629 12.639 62 HE2 TYR 8 HE2 TYR 8 -7.173 -13.400 13.960 63 HH TYR 8 HH TYR 8 -9.317 -13.195 15.171 64 H GLU 9 H GLU 9 -7.871 -10.793 7.902 65 HA GLU 9 HA GLU 9 -7.046 -11.509 5.143 66 1HB GLU 9 1HB GLU 9 -8.481 -9.498 5.823 67 2HB GLU 9 2HB GLU 9 -7.015 -8.816 6.528 68 1HG GLU 9 1HG GLU 9 -5.995 -8.522 4.461 69 2HG GLU 9 2HG GLU 9 -6.917 -9.822 3.706 70 H CYS 10 H CYS 10 -4.880 -11.634 4.562 71 HA CYS 10 HA CYS 10 -2.838 -11.637 6.648 72 1HB CYS 10 1HB CYS 10 -3.066 -13.051 4.482 73 2HB CYS 10 2HB CYS 10 -2.412 -11.639 3.671 74 H GLU 11 H GLU 11 -2.040 -9.696 7.407 75 HA GLU 11 HA GLU 11 -2.193 -7.213 5.928 76 1HB GLU 11 1HB GLU 11 -1.496 -8.202 8.518 77 2HB GLU 11 2HB GLU 11 -0.162 -7.199 7.951 78 1HG GLU 11 1HG GLU 11 -1.940 -5.468 7.306 79 2HG GLU 11 2HG GLU 11 -3.067 -6.425 8.267 80 H ALA 12 H ALA 12 -0.093 -9.910 5.730 81 HA ALA 12 HA ALA 12 2.294 -8.424 4.900 82 1HB ALA 12 1HB ALA 12 1.446 -11.289 5.215 83 2HB ALA 12 2HB ALA 12 2.951 -10.902 4.380 84 3HB ALA 12 3HB ALA 12 2.721 -10.412 6.058 85 H CYS 13 H CYS 13 -0.207 -10.430 3.247 86 HA CYS 13 HA CYS 13 0.917 -9.369 0.681 87 1HB CYS 13 2HB CYS 13 1.325 -11.806 1.289 88 2HB CYS 13 1HB CYS 13 0.596 -11.524 -0.287 89 H GLY 14 H GLY 14 -2.047 -10.310 2.393 90 1HA GLY 14 1HA GLY 14 -3.988 -8.758 2.025 91 2HA GLY 14 2HA GLY 14 -3.562 -8.775 0.315 92 H TYR 15 H TYR 15 -3.286 -11.755 2.036 93 HA TYR 15 HA TYR 15 -5.388 -12.967 0.380 94 1HB TYR 15 1HB TYR 15 -3.285 -14.125 0.744 95 2HB TYR 15 2HB TYR 15 -3.448 -13.965 2.492 96 HD1 TYR 15 HD1 TYR 15 -4.839 -15.616 -0.528 97 HD2 TYR 15 HD2 TYR 15 -4.821 -15.463 3.764 98 HE1 TYR 15 HE1 TYR 15 -6.091 -17.756 -0.446 99 HE2 TYR 15 HE2 TYR 15 -6.073 -17.601 3.847 100 HH TYR 15 HH TYR 15 -7.473 -19.021 1.012 101 H ILE 16 H ILE 16 -6.998 -14.464 1.576 102 HA ILE 16 HA ILE 16 -7.856 -13.256 4.182 103 HB ILE 16 HB ILE 16 -9.432 -13.827 1.656 104 1HG1 ILE 16 2HG1 ILE 16 -8.709 -11.390 3.269 105 2HG1 ILE 16 1HG1 ILE 16 -10.143 -11.383 2.242 106 1HG2 ILE 16 1HG2 ILE 16 -10.307 -13.897 4.446 107 2HG2 ILE 16 2HG2 ILE 16 -11.177 -12.686 3.504 108 3HG2 ILE 16 3HG2 ILE 16 -11.179 -14.373 2.989 109 1HD1 ILE 16 1HD1 ILE 16 -8.001 -12.520 0.737 110 2HD1 ILE 16 2HD1 ILE 16 -8.845 -11.000 0.446 111 3HD1 ILE 16 3HD1 ILE 16 -7.410 -11.029 1.470 112 H TYR 17 H TYR 17 -7.578 -14.953 5.604 113 HA TYR 17 HA TYR 17 -7.733 -17.741 4.849 114 1HB TYR 17 1HB TYR 17 -6.378 -16.983 6.714 115 2HB TYR 17 2HB TYR 17 -7.781 -16.255 7.493 116 HD1 TYR 17 HD1 TYR 17 -6.514 -19.546 6.235 117 HD2 TYR 17 HD2 TYR 17 -9.031 -17.499 9.051 118 HE1 TYR 17 HE1 TYR 17 -7.008 -21.699 7.363 119 HE2 TYR 17 HE2 TYR 17 -9.528 -19.653 10.172 120 HH TYR 17 HH TYR 17 -9.420 -21.927 9.911 121 H GLU 18 H GLU 18 -9.464 -19.153 5.014 122 HA GLU 18 HA GLU 18 -12.107 -17.974 5.810 123 1HB GLU 18 2HB GLU 18 -13.031 -19.545 4.162 124 2HB GLU 18 1HB GLU 18 -11.430 -20.234 3.896 125 1HG GLU 18 1HG GLU 18 -12.503 -17.556 3.065 126 2HG GLU 18 2HG GLU 18 -10.773 -17.740 3.343 127 HA PRO 19 HA PRO 19 -11.466 -21.136 8.986 128 1HB PRO 19 1HB PRO 19 -13.547 -20.323 10.582 129 2HB PRO 19 2HB PRO 19 -11.938 -19.587 10.614 130 1HG PRO 19 1HG PRO 19 -14.428 -18.630 9.293 131 2HG PRO 19 2HG PRO 19 -13.172 -17.717 10.129 132 1HD PRO 19 1HD PRO 19 -13.357 -17.879 7.408 133 2HD PRO 19 2HD PRO 19 -11.828 -17.620 8.272 134 H GLU 20 H GLU 20 -14.907 -20.320 8.736 135 HA GLU 20 HA GLU 20 -16.009 -22.858 8.907 136 1HB GLU 20 1HB GLU 20 -16.722 -20.222 7.854 137 2HB GLU 20 2HB GLU 20 -17.587 -21.527 7.043 138 1HG GLU 20 1HG GLU 20 -17.474 -21.971 9.914 139 2HG GLU 20 2HG GLU 20 -18.209 -20.412 9.541 140 H LYS 21 H LYS 21 -14.341 -21.460 6.146 141 HA LYS 21 HA LYS 21 -15.248 -23.636 4.350 142 1HB LYS 21 1HB LYS 21 -14.545 -20.952 4.077 143 2HB LYS 21 2HB LYS 21 -13.173 -21.816 3.386 144 1HG LYS 21 1HG LYS 21 -15.442 -23.175 2.436 145 2HG LYS 21 2HG LYS 21 -15.849 -21.464 2.308 146 1HD LYS 21 1HD LYS 21 -14.424 -21.176 0.582 147 2HD LYS 21 2HD LYS 21 -13.111 -21.966 1.456 148 1HE LYS 21 1HE LYS 21 -13.986 -24.177 0.806 149 2HE LYS 21 2HE LYS 21 -15.338 -23.401 -0.040 150 1HZ LYS 21 1HZ LYS 21 -12.473 -22.808 -0.583 151 2HZ LYS 21 2HZ LYS 21 -13.389 -23.914 -1.491 152 3HZ LYS 21 3HZ LYS 21 -13.818 -22.273 -1.474 153 H GLY 22 H GLY 22 -12.280 -22.495 5.933 154 1HA GLY 22 1HA GLY 22 -10.523 -23.971 6.667 155 2HA GLY 22 2HA GLY 22 -11.128 -25.202 5.559 156 H ASP 23 H ASP 23 -8.386 -24.085 5.862 157 HA ASP 23 HA ASP 23 -7.899 -22.521 3.421 158 1HB ASP 23 1HB ASP 23 -6.669 -22.940 5.909 159 2HB ASP 23 2HB ASP 23 -5.581 -23.693 4.744 160 H LYS 24 H LYS 24 -9.053 -24.608 2.371 161 HA LYS 24 HA LYS 24 -7.866 -27.085 1.975 162 1HB LYS 24 1HB LYS 24 -9.681 -25.290 0.613 163 2HB LYS 24 2HB LYS 24 -8.716 -26.184 -0.562 164 1HG LYS 24 1HG LYS 24 -9.888 -27.678 1.754 165 2HG LYS 24 2HG LYS 24 -10.952 -27.224 0.423 166 1HD LYS 24 1HD LYS 24 -10.202 -29.092 -0.613 167 2HD LYS 24 2HD LYS 24 -8.704 -28.200 -0.874 168 1HE LYS 24 1HE LYS 24 -7.715 -29.125 1.129 169 2HE LYS 24 2HE LYS 24 -9.263 -29.834 1.625 170 1HZ LYS 24 1HZ LYS 24 -9.208 -30.955 -0.653 171 2HZ LYS 24 2HZ LYS 24 -7.560 -30.553 -0.691 172 3HZ LYS 24 3HZ LYS 24 -8.158 -31.569 0.533 173 H PHE 25 H PHE 25 -6.717 -23.984 0.781 174 HA PHE 25 HA PHE 25 -4.857 -25.106 -1.171 175 1HB PHE 25 1HB PHE 25 -5.975 -22.629 -0.526 176 2HB PHE 25 2HB PHE 25 -4.265 -22.440 -0.135 177 HD1 PHE 25 HD1 PHE 25 -2.534 -22.738 -1.867 178 HD2 PHE 25 HD2 PHE 25 -6.717 -23.017 -2.799 179 HE1 PHE 25 HE1 PHE 25 -2.008 -22.545 -4.285 180 HE2 PHE 25 HE2 PHE 25 -6.193 -22.825 -5.215 181 HZ PHE 25 HZ PHE 25 -3.838 -22.588 -5.958 182 H ALA 26 H ALA 26 -4.792 -24.437 2.254 183 HA ALA 26 HA ALA 26 -1.823 -24.747 2.334 184 1HB ALA 26 3HB ALA 26 -1.953 -23.407 4.182 185 2HB ALA 26 2HB ALA 26 -3.379 -24.243 4.800 186 3HB ALA 26 1HB ALA 26 -3.552 -23.009 3.551 187 H GLY 27 H GLY 27 -4.836 -26.288 3.289 188 1HA GLY 27 1HA GLY 27 -4.655 -28.809 3.441 189 2HA GLY 27 2HA GLY 27 -3.240 -28.534 4.458 190 H ILE 28 H ILE 28 -6.150 -26.551 4.672 191 HA ILE 28 HA ILE 28 -6.704 -27.800 7.341 192 HB ILE 28 HB ILE 28 -6.756 -24.926 6.382 193 1HG1 ILE 28 1HG1 ILE 28 -5.321 -25.736 8.835 194 2HG1 ILE 28 2HG1 ILE 28 -4.674 -26.406 7.336 195 1HG2 ILE 28 1HG2 ILE 28 -8.696 -25.380 7.863 196 2HG2 ILE 28 2HG2 ILE 28 -7.600 -26.044 9.075 197 3HG2 ILE 28 3HG2 ILE 28 -7.513 -24.335 8.650 198 1HD1 ILE 28 1HD1 ILE 28 -5.234 -23.466 7.834 199 2HD1 ILE 28 2HD1 ILE 28 -3.639 -24.217 7.886 200 3HD1 ILE 28 3HD1 ILE 28 -4.535 -24.153 6.367 201 HA PRO 29 HA PRO 29 -10.635 -28.464 5.272 202 1HB PRO 29 1HB PRO 29 -11.891 -29.683 7.378 203 2HB PRO 29 2HB PRO 29 -10.736 -30.521 6.324 204 1HG PRO 29 2HG PRO 29 -9.711 -30.853 8.364 205 2HG PRO 29 1HG PRO 29 -10.325 -29.331 9.029 206 1HD PRO 29 1HD PRO 29 -8.201 -28.602 8.562 207 2HD PRO 29 2HD PRO 29 -7.956 -29.822 7.296 208 HA PRO 30 HA PRO 30 -13.223 -25.234 6.778 209 1HB PRO 30 1HB PRO 30 -15.749 -26.277 6.681 210 2HB PRO 30 2HB PRO 30 -14.834 -25.830 5.228 211 1HG PRO 30 2HG PRO 30 -15.264 -28.052 4.765 212 2HG PRO 30 1HG PRO 30 -15.237 -28.508 6.475 213 1HD PRO 30 1HD PRO 30 -13.126 -29.244 5.942 214 2HD PRO 30 2HD PRO 30 -12.967 -28.107 4.586 215 H GLY 31 H GLY 31 -15.516 -25.250 8.314 216 1HA GLY 31 1HA GLY 31 -16.119 -25.222 10.589 217 2HA GLY 31 2HA GLY 31 -15.724 -26.939 10.528 218 H THR 32 H THR 32 -13.255 -24.557 9.861 219 HA THR 32 HA THR 32 -12.060 -25.084 12.563 220 HB THR 32 HB THR 32 -10.720 -24.918 9.844 221 HG1 THR 32 HG1 THR 32 -10.336 -27.142 10.274 222 1HG2 THR 32 1HG2 THR 32 -9.467 -24.103 11.962 223 2HG2 THR 32 2HG2 THR 32 -9.450 -25.804 12.428 224 3HG2 THR 32 3HG2 THR 32 -8.666 -25.291 10.934 225 HA PRO 33 HA PRO 33 -12.176 -20.576 12.306 226 1HB PRO 33 1HB PRO 33 -11.535 -20.123 14.928 227 2HB PRO 33 2HB PRO 33 -13.171 -20.552 14.392 228 1HG PRO 33 2HG PRO 33 -12.823 -22.269 15.879 229 2HG PRO 33 1HG PRO 33 -11.070 -22.253 15.640 230 1HD PRO 33 1HD PRO 33 -11.468 -24.069 14.315 231 2HD PRO 33 2HD PRO 33 -13.176 -23.640 14.085 232 H PHE 34 H PHE 34 -10.513 -18.990 12.216 233 HA PHE 34 HA PHE 34 -7.881 -19.785 11.599 234 1HB PHE 34 1HB PHE 34 -8.778 -17.647 10.954 235 2HB PHE 34 2HB PHE 34 -9.095 -17.199 12.619 236 HD1 PHE 34 HD1 PHE 34 -6.460 -17.723 10.077 237 HD2 PHE 34 HD2 PHE 34 -7.333 -16.374 14.061 238 HE1 PHE 34 HE1 PHE 34 -4.204 -16.705 10.228 239 HE2 PHE 34 HE2 PHE 34 -5.076 -15.356 14.212 240 HZ PHE 34 HZ PHE 34 -3.513 -15.520 12.295 241 H VAL 35 H VAL 35 -9.352 -19.157 14.726 242 HA VAL 35 HA VAL 35 -6.922 -18.818 16.242 243 HB VAL 35 HB VAL 35 -8.481 -19.274 18.135 244 1HG1 VAL 35 1HG1 VAL 35 -9.455 -17.500 15.882 245 2HG1 VAL 35 2HG1 VAL 35 -10.166 -17.481 17.497 246 3HG1 VAL 35 3HG1 VAL 35 -8.475 -17.030 17.272 247 1HG2 VAL 35 1HG2 VAL 35 -9.938 -20.593 15.983 248 2HG2 VAL 35 2HG2 VAL 35 -10.143 -20.748 17.728 249 3HG2 VAL 35 3HG2 VAL 35 -10.958 -19.450 16.856 250 H ASP 36 H ASP 36 -8.408 -21.601 14.820 251 HA ASP 36 HA ASP 36 -7.083 -23.476 16.703 252 1HB ASP 36 1HB ASP 36 -9.308 -23.460 14.800 253 2HB ASP 36 2HB ASP 36 -8.314 -24.911 14.665 254 H LEU 37 H LEU 37 -6.185 -21.799 13.924 255 HA LEU 37 HA LEU 37 -4.905 -23.746 12.299 256 1HB LEU 37 1HB LEU 37 -4.372 -20.844 12.962 257 2HB LEU 37 2HB LEU 37 -3.428 -21.709 11.749 258 HG LEU 37 HG LEU 37 -6.451 -21.447 11.731 259 1HD1 LEU 37 1HD1 LEU 37 -5.025 -19.342 11.289 260 2HD1 LEU 37 2HD1 LEU 37 -4.498 -20.162 9.819 261 3HD1 LEU 37 3HD1 LEU 37 -6.205 -19.786 10.056 262 1HD2 LEU 37 1HD2 LEU 37 -4.426 -22.786 9.949 263 2HD2 LEU 37 2HD2 LEU 37 -5.948 -23.426 10.570 264 3HD2 LEU 37 3HD2 LEU 37 -5.958 -22.217 9.286 265 H SER 38 H SER 38 -2.588 -24.296 12.223 266 HA SER 38 HA SER 38 -1.475 -25.227 14.642 267 1HB SER 38 1HB SER 38 -0.721 -26.081 12.547 268 2HB SER 38 2HB SER 38 -0.322 -24.470 11.950 269 HG SER 38 HG SER 38 1.595 -25.130 12.600 270 H ASP 39 H ASP 39 0.624 -24.433 15.641 271 HA ASP 39 HA ASP 39 0.374 -21.666 16.463 272 1HB ASP 39 1HB ASP 39 1.395 -23.923 17.524 273 2HB ASP 39 2HB ASP 39 2.883 -23.220 16.889 274 H SER 40 H SER 40 1.868 -23.140 13.746 275 HA SER 40 HA SER 40 3.359 -20.603 13.210 276 1HB SER 40 2HB SER 40 4.766 -22.531 14.125 277 2HB SER 40 1HB SER 40 5.301 -21.867 12.582 278 HG SER 40 HG SER 40 5.217 -23.939 12.106 279 H PHE 41 H PHE 41 0.759 -21.609 12.200 280 HA PHE 41 HA PHE 41 0.873 -22.825 9.656 281 1HB PHE 41 1HB PHE 41 -1.237 -22.492 10.666 282 2HB PHE 41 2HB PHE 41 -0.917 -20.803 11.007 283 HD1 PHE 41 HD1 PHE 41 -1.541 -23.220 8.231 284 HD2 PHE 41 HD2 PHE 41 -1.540 -19.105 9.468 285 HE1 PHE 41 HE1 PHE 41 -2.644 -22.580 6.105 286 HE2 PHE 41 HE2 PHE 41 -2.643 -18.467 7.340 287 HZ PHE 41 HZ PHE 41 -3.193 -20.203 5.660 288 H MET 42 H MET 42 1.254 -22.004 7.558 289 HA MET 42 HA MET 42 2.399 -19.232 7.443 290 1HB MET 42 1HB MET 42 3.006 -21.614 5.665 291 2HB MET 42 2HB MET 42 3.896 -20.097 5.746 292 1HG MET 42 1HG MET 42 5.164 -20.886 7.429 293 2HG MET 42 2HG MET 42 3.726 -21.226 8.390 294 1HE MET 42 1HE MET 42 6.374 -22.458 8.420 295 2HE MET 42 2HE MET 42 6.390 -24.196 8.128 296 3HE MET 42 3HE MET 42 6.821 -23.073 6.831 297 H CYS 43 H CYS 43 1.570 -17.861 5.898 298 HA CYS 43 HA CYS 43 -0.964 -18.265 4.706 299 1HB CYS 43 1HB CYS 43 0.289 -16.131 5.158 300 2HB CYS 43 2HB CYS 43 1.322 -16.503 3.781 301 HA PRO 44 HA PRO 44 0.303 -20.901 1.325 302 1HB PRO 44 1HB PRO 44 -2.096 -20.973 0.015 303 2HB PRO 44 2HB PRO 44 -1.765 -21.917 1.479 304 1HG PRO 44 2HG PRO 44 -3.589 -20.747 2.234 305 2HG PRO 44 1HG PRO 44 -3.284 -19.380 1.153 306 1HD PRO 44 1HD PRO 44 -2.430 -18.375 3.010 307 2HD PRO 44 2HD PRO 44 -2.213 -19.921 3.855 308 H ALA 45 H ALA 45 -0.490 -17.623 1.193 309 HA ALA 45 HA ALA 45 -0.089 -17.488 -1.763 310 1HB ALA 45 3HB ALA 45 -2.006 -16.291 -1.452 311 2HB ALA 45 1HB ALA 45 -1.677 -16.042 0.263 312 3HB ALA 45 2HB ALA 45 -0.910 -15.007 -0.942 313 H CYS 46 H CYS 46 1.153 -16.362 1.358 314 HA CYS 46 HA CYS 46 3.508 -15.280 -0.121 315 1HB CYS 46 1HB CYS 46 3.337 -13.200 0.917 316 2HB CYS 46 2HB CYS 46 1.647 -13.620 0.684 317 H ARG 47 H ARG 47 2.605 -17.588 1.949 318 HA ARG 47 HA ARG 47 3.748 -18.911 3.523 319 1HB ARG 47 1HB ARG 47 5.466 -18.032 1.542 320 2HB ARG 47 2HB ARG 47 6.341 -17.646 3.024 321 1HG ARG 47 2HG ARG 47 5.665 -20.059 3.760 322 2HG ARG 47 1HG ARG 47 6.988 -19.867 2.609 323 1HD ARG 47 1HD ARG 47 4.243 -20.950 2.173 324 2HD ARG 47 2HD ARG 47 4.938 -19.982 0.860 325 HE ARG 47 HE ARG 47 7.006 -21.513 1.161 326 1HH1 ARG 47 1HH1 ARG 47 4.535 -22.675 3.065 327 2HH1 ARG 47 2HH1 ARG 47 4.483 -24.257 2.363 328 1HH2 ARG 47 1HH2 ARG 47 6.628 -23.463 -0.241 329 2HH2 ARG 47 2HH2 ARG 47 5.670 -24.704 0.494 330 H SER 48 H SER 48 3.069 -15.863 4.236 331 HA SER 48 HA SER 48 5.045 -15.183 6.257 332 1HB SER 48 1HB SER 48 3.276 -13.533 6.910 333 2HB SER 48 2HB SER 48 3.622 -13.510 5.183 334 HG SER 48 HG SER 48 1.410 -14.572 6.555 335 HA PRO 49 HA PRO 49 3.630 -17.716 9.567 336 1HB PRO 49 1HB PRO 49 4.043 -16.074 11.725 337 2HB PRO 49 2HB PRO 49 5.359 -16.889 10.858 338 1HG PRO 49 1HG PRO 49 4.385 -14.077 10.625 339 2HG PRO 49 2HG PRO 49 6.043 -14.693 10.644 340 1HD PRO 49 1HD PRO 49 4.766 -13.972 8.362 341 2HD PRO 49 2HD PRO 49 5.990 -15.259 8.412 342 H LYS 50 H LYS 50 1.664 -18.117 10.581 343 HA LYS 50 HA LYS 50 -0.683 -16.766 9.969 344 1HB LYS 50 1HB LYS 50 -0.370 -19.022 11.020 345 2HB LYS 50 2HB LYS 50 -0.038 -18.217 12.552 346 1HG LYS 50 1HG LYS 50 -2.310 -17.036 12.200 347 2HG LYS 50 2HG LYS 50 -2.617 -18.280 10.987 348 1HD LYS 50 1HD LYS 50 -2.627 -19.999 12.565 349 2HD LYS 50 2HD LYS 50 -1.642 -19.089 13.710 350 1HE LYS 50 1HE LYS 50 -3.640 -17.487 13.928 351 2HE LYS 50 2HE LYS 50 -4.584 -18.731 13.088 352 1HZ LYS 50 1HZ LYS 50 -3.651 -20.346 14.734 353 2HZ LYS 50 2HZ LYS 50 -3.030 -19.027 15.606 354 3HZ LYS 50 3HZ LYS 50 -4.706 -19.200 15.410 355 H ASN 51 H ASN 51 1.585 -15.960 12.572 356 HA ASN 51 HA ASN 51 -0.159 -14.221 14.033 357 1HB ASN 51 1HB ASN 51 1.983 -13.327 14.919 358 2HB ASN 51 2HB ASN 51 1.996 -15.088 14.860 359 2HD2 ASN 51 2HD2 ASN 51 4.256 -15.401 14.515 360 1HD2 ASN 51 1HD2 ASN 51 5.070 -14.836 13.138 361 H GLN 52 H GLN 52 1.217 -13.897 10.902 362 HA GLN 52 HA GLN 52 1.225 -10.951 10.905 363 1HB GLN 52 1HB GLN 52 2.384 -13.078 9.443 364 2HB GLN 52 2HB GLN 52 1.331 -12.231 8.309 365 1HG GLN 52 1HG GLN 52 3.432 -10.914 10.060 366 2HG GLN 52 2HG GLN 52 3.616 -11.262 8.341 367 2HE2 GLN 52 2HE2 GLN 52 1.075 -10.525 7.359 368 1HE2 GLN 52 1HE2 GLN 52 0.833 -8.865 7.612 369 H PHE 53 H PHE 53 -1.189 -13.303 10.734 370 HA PHE 53 HA PHE 53 -2.808 -12.058 8.622 371 1HB PHE 53 1HB PHE 53 -3.088 -14.275 10.639 372 2HB PHE 53 2HB PHE 53 -4.512 -13.698 9.773 373 HD1 PHE 53 HD1 PHE 53 -0.973 -14.772 9.134 374 HD2 PHE 53 HD2 PHE 53 -5.011 -14.595 7.677 375 HE1 PHE 53 HE1 PHE 53 -0.317 -16.107 7.149 376 HE2 PHE 53 HE2 PHE 53 -4.354 -15.929 5.694 377 HZ PHE 53 HZ PHE 53 -2.007 -16.685 5.429 378 H LYS 54 H LYS 54 -5.074 -11.302 9.202 379 HA LYS 54 HA LYS 54 -5.327 -10.105 11.916 380 1HB LYS 54 1HB LYS 54 -4.141 -8.653 10.033 381 2HB LYS 54 2HB LYS 54 -5.800 -8.392 9.497 382 1HG LYS 54 1HG LYS 54 -6.215 -7.884 12.059 383 2HG LYS 54 2HG LYS 54 -4.480 -7.563 12.060 384 1HD LYS 54 1HD LYS 54 -5.669 -5.486 11.595 385 2HD LYS 54 2HD LYS 54 -4.819 -5.998 10.137 386 1HE LYS 54 1HE LYS 54 -6.814 -5.872 9.057 387 2HE LYS 54 2HE LYS 54 -7.340 -7.269 10.017 388 1HZ LYS 54 1HZ LYS 54 -7.734 -5.569 11.853 389 2HZ LYS 54 2HZ LYS 54 -7.629 -4.385 10.640 390 3HZ LYS 54 3HZ LYS 54 -8.843 -5.572 10.570 391 H SER 55 H SER 55 -7.472 -10.249 12.566 392 HA SER 55 HA SER 55 -9.421 -11.573 10.931 393 1HB SER 55 1HB SER 55 -10.942 -10.929 12.800 394 2HB SER 55 2HB SER 55 -9.431 -11.616 13.364 395 HG SER 55 HG SER 55 -9.520 -9.834 14.535 396 H ILE 56 H ILE 56 -11.657 -10.519 10.651 397 HA ILE 56 HA ILE 56 -11.679 -7.637 10.050 398 HB ILE 56 HB ILE 56 -10.495 -8.609 8.115 399 1HG1 ILE 56 1HG1 ILE 56 -12.745 -8.150 6.520 400 2HG1 ILE 56 2HG1 ILE 56 -13.055 -7.219 7.984 401 1HG2 ILE 56 1HG2 ILE 56 -12.471 -10.673 8.469 402 2HG2 ILE 56 2HG2 ILE 56 -12.581 -10.036 6.829 403 3HG2 ILE 56 3HG2 ILE 56 -11.051 -10.678 7.424 404 1HD1 ILE 56 1HD1 ILE 56 -10.286 -6.949 7.136 405 2HD1 ILE 56 2HD1 ILE 56 -11.396 -6.471 5.852 406 3HD1 ILE 56 3HD1 ILE 56 -11.488 -5.694 7.432 407 H LYS 57 H LYS 57 -13.462 -7.950 11.636 408 HA LYS 57 HA LYS 57 -15.850 -9.420 10.669 409 1HB LYS 57 2HB LYS 57 -16.659 -8.928 12.944 410 2HB LYS 57 1HB LYS 57 -15.282 -7.860 13.212 411 1HG LYS 57 1HG LYS 57 -15.027 -10.804 12.537 412 2HG LYS 57 2HG LYS 57 -13.733 -9.712 13.031 413 1HD LYS 57 2HD LYS 57 -15.771 -9.530 15.004 414 2HD LYS 57 1HD LYS 57 -14.160 -10.225 15.181 415 1HE LYS 57 1HE LYS 57 -16.506 -11.767 14.021 416 2HE LYS 57 2HE LYS 57 -14.942 -12.413 14.550 417 1HZ LYS 57 1HZ LYS 57 -16.722 -10.873 16.354 418 2HZ LYS 57 2HZ LYS 57 -16.835 -12.562 16.212 419 3HZ LYS 57 3HZ LYS 57 -15.401 -11.848 16.776 420 H LYS 58 H LYS 58 -15.628 -7.529 8.861 421 HA LYS 58 HA LYS 58 -17.356 -5.253 9.786 422 1HB LYS 58 1HB LYS 58 -15.058 -5.443 7.828 423 2HB LYS 58 2HB LYS 58 -16.169 -4.074 7.824 424 1HG LYS 58 1HG LYS 58 -15.560 -4.280 10.492 425 2HG LYS 58 2HG LYS 58 -14.037 -4.759 9.743 426 1HD LYS 58 1HD LYS 58 -14.131 -2.701 8.331 427 2HD LYS 58 2HD LYS 58 -15.588 -2.210 9.193 428 1HE LYS 58 1HE LYS 58 -14.028 -1.111 10.508 429 2HE LYS 58 2HE LYS 58 -13.960 -2.692 11.309 430 1HZ LYS 58 1HZ LYS 58 -12.288 -3.276 9.492 431 2HZ LYS 58 2HZ LYS 58 -12.173 -1.605 9.209 432 3HZ LYS 58 3HZ LYS 58 -11.750 -2.245 10.725 433 H VAL 59 H VAL 59 -19.343 -5.270 8.829 434 HA VAL 59 HA VAL 59 -19.609 -6.546 6.125 435 HB VAL 59 HB VAL 59 -21.514 -6.580 8.492 436 1HG1 VAL 59 1HG1 VAL 59 -22.120 -6.796 5.799 437 2HG1 VAL 59 2HG1 VAL 59 -21.928 -8.477 6.293 438 3HG1 VAL 59 3HG1 VAL 59 -23.095 -7.444 7.118 439 1HG2 VAL 59 1HG2 VAL 59 -19.561 -8.578 7.354 440 2HG2 VAL 59 2HG2 VAL 59 -19.768 -8.071 9.031 441 3HG2 VAL 59 3HG2 VAL 59 -20.973 -9.109 8.269 442 H ILE 60 H ILE 60 -19.159 -4.024 5.776 443 HA ILE 60 HA ILE 60 -21.840 -2.696 5.598 444 HB ILE 60 HB ILE 60 -20.446 -1.838 7.474 445 1HG1 ILE 60 1HG1 ILE 60 -20.352 0.320 5.404 446 2HG1 ILE 60 2HG1 ILE 60 -21.918 -0.386 5.803 447 1HG2 ILE 60 1HG2 ILE 60 -18.340 -2.255 5.737 448 2HG2 ILE 60 2HG2 ILE 60 -18.513 -0.499 5.717 449 3HG2 ILE 60 3HG2 ILE 60 -18.248 -1.341 7.244 450 1HD1 ILE 60 1HD1 ILE 60 -20.758 0.001 8.290 451 2HD1 ILE 60 2HD1 ILE 60 -20.226 1.416 7.382 452 3HD1 ILE 60 3HD1 ILE 60 -21.948 1.067 7.542 453 H ALA 61 H ALA 61 -22.252 -2.558 3.424 454 HA ALA 61 HA ALA 61 -20.544 -1.079 1.636 455 1HB ALA 61 2HB ALA 61 -20.653 -3.966 0.860 456 2HB ALA 61 3HB ALA 61 -19.405 -2.765 0.527 457 3HB ALA 61 1HB ALA 61 -19.513 -3.504 2.125 458 H GLY 62 H GLY 62 -22.731 -3.922 1.461 459 1HA GLY 62 1HA GLY 62 -25.110 -2.870 0.735 460 2HA GLY 62 2HA GLY 62 -24.199 -2.649 -0.759 461 H PHE 63 H PHE 63 -24.709 -4.247 -2.170 462 HA PHE 63 HA PHE 63 -25.135 -7.013 -1.083 463 1HB PHE 63 1HB PHE 63 -26.318 -5.432 -3.368 464 2HB PHE 63 2HB PHE 63 -26.448 -7.190 -3.312 465 HD1 PHE 63 HD1 PHE 63 -27.440 -8.260 -1.198 466 HD2 PHE 63 HD2 PHE 63 -27.782 -4.076 -2.109 467 HE1 PHE 63 HE1 PHE 63 -29.341 -8.071 0.383 468 HE2 PHE 63 HE2 PHE 63 -29.683 -3.887 -0.527 469 HZ PHE 63 HZ PHE 63 -30.462 -5.884 0.719 470 H ALA 64 H ALA 64 -24.007 -8.703 -2.081 471 HA ALA 64 HA ALA 64 -22.029 -7.917 -4.200 472 1HB ALA 64 3HB ALA 64 -20.430 -8.848 -2.884 473 2HB ALA 64 2HB ALA 64 -21.416 -10.277 -2.575 474 3HB ALA 64 1HB ALA 64 -21.636 -8.826 -1.597 475 H GLU 65 H GLU 65 -24.208 -10.439 -2.982 476 HA GLU 65 HA GLU 65 -23.683 -12.425 -4.974 477 1HB GLU 65 1HB GLU 65 -25.843 -13.317 -4.186 478 2HB GLU 65 2HB GLU 65 -24.885 -12.743 -2.821 479 1HG GLU 65 1HG GLU 65 -26.133 -10.614 -2.834 480 2HG GLU 65 2HG GLU 65 -27.085 -11.177 -4.208 481 H ASN 66 H ASN 66 -25.699 -9.528 -4.984 482 HA ASN 66 HA ASN 66 -27.404 -10.077 -7.173 483 1HB ASN 66 1HB ASN 66 -27.540 -7.623 -7.314 484 2HB ASN 66 2HB ASN 66 -27.514 -8.135 -5.627 485 2HD2 ASN 66 2HD2 ASN 66 -25.304 -6.999 -8.235 486 1HD2 ASN 66 1HD2 ASN 66 -24.211 -6.237 -7.183 487 H GLN 67 H GLN 67 -27.173 -9.059 -9.403 488 HA GLN 67 HA GLN 67 -24.378 -8.809 -10.377 489 1HB GLN 67 1HB GLN 67 -25.086 -11.230 -10.378 490 2HB GLN 67 2HB GLN 67 -26.380 -10.798 -11.495 491 1HG GLN 67 1HG GLN 67 -24.911 -10.366 -13.241 492 2HG GLN 67 2HG GLN 67 -23.576 -9.972 -12.157 493 2HE2 GLN 67 2HE2 GLN 67 -24.952 -12.480 -14.070 494 1HE2 GLN 67 1HE2 GLN 67 -23.988 -13.756 -13.497 495 H LYS 68 H LYS 68 -24.631 -6.778 -11.301 496 HA LYS 68 HA LYS 68 -25.459 -5.101 -12.748 497 1HB LYS 68 1HB LYS 68 -25.860 -7.750 -13.991 498 2HB LYS 68 2HB LYS 68 -26.865 -6.471 -14.671 499 1HG LYS 68 1HG LYS 68 -24.870 -5.079 -15.038 500 2HG LYS 68 2HG LYS 68 -23.854 -6.332 -14.322 501 1HD LYS 68 1HD LYS 68 -25.525 -7.481 -16.379 502 2HD LYS 68 2HD LYS 68 -24.635 -6.104 -17.031 503 1HE LYS 68 1HE LYS 68 -22.697 -7.379 -15.530 504 2HE LYS 68 2HE LYS 68 -23.631 -8.738 -16.184 505 1HZ LYS 68 1HZ LYS 68 -22.781 -6.410 -17.821 506 2HZ LYS 68 2HZ LYS 68 -21.858 -7.832 -17.700 507 3HZ LYS 68 3HZ LYS 68 -23.419 -7.884 -18.370 508 H TYR 69 H TYR 69 -27.637 -4.289 -13.745 509 HA TYR 69 HA TYR 69 -30.022 -5.283 -12.270 510 1HB TYR 69 1HB TYR 69 -28.576 -2.683 -11.934 511 2HB TYR 69 2HB TYR 69 -30.334 -2.672 -11.809 512 HD1 TYR 69 HD1 TYR 69 -31.313 -4.723 -10.357 513 HD2 TYR 69 HD2 TYR 69 -27.369 -3.062 -9.981 514 HE1 TYR 69 HE1 TYR 69 -31.153 -5.624 -8.052 515 HE2 TYR 69 HE2 TYR 69 -27.209 -3.963 -7.676 516 HH TYR 69 HH TYR 69 -29.730 -4.898 -5.890 517 H GLY 70 H GLY 70 -29.311 -2.260 -14.031 518 1HA GLY 70 1HA GLY 70 -31.302 -3.119 -16.091 519 2HA GLY 70 2HA GLY 70 -31.240 -1.466 -15.481 No H/Q in entry = 519 Start of MODEL 6 1 H1 MET 1 1H MET 1 -17.380 -8.168 -0.514 2 H2 MET 1 2H MET 1 -17.577 -6.593 -1.111 3 H3 MET 1 3H MET 1 -16.317 -7.572 -1.698 4 HA MET 1 HA MET 1 -15.123 -7.450 0.326 5 1HB MET 1 1HB MET 1 -16.349 -4.956 -0.813 6 2HB MET 1 2HB MET 1 -15.262 -4.816 0.569 7 1HG MET 1 1HG MET 1 -13.897 -6.557 -1.079 8 2HG MET 1 2HG MET 1 -14.654 -5.463 -2.235 9 1HE MET 1 1HE MET 1 -13.464 -5.233 1.364 10 2HE MET 1 2HE MET 1 -11.991 -5.864 0.631 11 3HE MET 1 3HE MET 1 -12.014 -4.232 1.317 12 H GLU 2 H GLU 2 -16.767 -8.659 1.769 13 HA GLU 2 HA GLU 2 -17.520 -6.886 4.009 14 1HB GLU 2 1HB GLU 2 -19.876 -7.734 3.931 15 2HB GLU 2 2HB GLU 2 -19.452 -6.790 2.503 16 1HG GLU 2 1HG GLU 2 -18.791 -9.079 1.458 17 2HG GLU 2 2HG GLU 2 -19.747 -9.780 2.763 18 H ILE 3 H ILE 3 -16.806 -7.990 5.790 19 HA ILE 3 HA ILE 3 -16.974 -10.987 5.755 20 HB ILE 3 HB ILE 3 -14.860 -9.217 7.025 21 1HG1 ILE 3 1HG1 ILE 3 -13.663 -10.667 4.996 22 2HG1 ILE 3 2HG1 ILE 3 -15.212 -10.217 4.286 23 1HG2 ILE 3 1HG2 ILE 3 -15.321 -12.175 6.807 24 2HG2 ILE 3 2HG2 ILE 3 -13.666 -11.564 6.847 25 3HG2 ILE 3 3HG2 ILE 3 -14.762 -11.234 8.190 26 1HD1 ILE 3 1HD1 ILE 3 -14.255 -7.931 5.667 27 2HD1 ILE 3 2HD1 ILE 3 -12.898 -8.565 4.736 28 3HD1 ILE 3 3HD1 ILE 3 -14.406 -8.148 3.923 29 H ASP 4 H ASP 4 -16.847 -11.843 8.112 30 HA ASP 4 HA ASP 4 -17.638 -10.153 10.313 31 1HB ASP 4 1HB ASP 4 -19.596 -10.489 8.436 32 2HB ASP 4 2HB ASP 4 -19.950 -11.823 9.534 33 H GLU 5 H GLU 5 -17.616 -13.381 8.860 34 HA GLU 5 HA GLU 5 -17.961 -14.775 11.402 35 1HB GLU 5 2HB GLU 5 -17.546 -16.740 9.975 36 2HB GLU 5 1HB GLU 5 -16.967 -15.692 8.681 37 1HG GLU 5 1HG GLU 5 -19.471 -14.644 9.398 38 2HG GLU 5 2HG GLU 5 -19.098 -15.574 7.947 39 H GLY 6 H GLY 6 -15.705 -16.697 10.575 40 1HA GLY 6 1HA GLY 6 -13.589 -15.241 12.041 41 2HA GLY 6 2HA GLY 6 -13.615 -16.975 11.729 42 H LYS 7 H LYS 7 -14.252 -14.654 9.159 43 HA LYS 7 HA LYS 7 -12.068 -15.752 7.564 44 1HB LYS 7 1HB LYS 7 -14.392 -14.028 7.293 45 2HB LYS 7 2HB LYS 7 -13.006 -13.341 6.445 46 1HG LYS 7 2HG LYS 7 -12.876 -16.049 5.820 47 2HG LYS 7 1HG LYS 7 -13.493 -14.776 4.767 48 1HD LYS 7 2HD LYS 7 -15.242 -16.119 6.832 49 2HD LYS 7 1HD LYS 7 -15.051 -16.778 5.208 50 1HE LYS 7 2HE LYS 7 -15.623 -13.880 5.266 51 2HE LYS 7 1HE LYS 7 -16.938 -14.901 5.878 52 1HZ LYS 7 1HZ LYS 7 -15.451 -15.588 3.411 53 2HZ LYS 7 2HZ LYS 7 -16.967 -16.152 3.917 54 3HZ LYS 7 3HZ LYS 7 -16.799 -14.555 3.363 55 H TYR 8 H TYR 8 -9.954 -15.127 7.860 56 HA TYR 8 HA TYR 8 -9.418 -12.461 9.113 57 1HB TYR 8 1HB TYR 8 -8.051 -15.126 8.940 58 2HB TYR 8 2HB TYR 8 -7.064 -13.692 9.217 59 HD1 TYR 8 HD1 TYR 8 -10.512 -14.587 10.382 60 HD2 TYR 8 HD2 TYR 8 -6.466 -13.658 11.484 61 HE1 TYR 8 HE1 TYR 8 -11.162 -14.623 12.771 62 HE2 TYR 8 HE2 TYR 8 -7.114 -13.697 13.879 63 HH TYR 8 HH TYR 8 -9.337 -15.056 15.160 64 H GLU 9 H GLU 9 -7.425 -11.325 8.259 65 HA GLU 9 HA GLU 9 -7.032 -11.789 5.321 66 1HB GLU 9 1HB GLU 9 -8.583 -9.941 5.675 67 2HB GLU 9 2HB GLU 9 -7.486 -9.201 6.839 68 1HG GLU 9 1HG GLU 9 -5.901 -8.654 5.163 69 2HG GLU 9 2HG GLU 9 -6.631 -9.760 3.998 70 H CYS 10 H CYS 10 -4.874 -11.775 4.719 71 HA CYS 10 HA CYS 10 -2.797 -11.589 6.749 72 1HB CYS 10 1HB CYS 10 -2.985 -12.977 4.534 73 2HB CYS 10 2HB CYS 10 -2.392 -11.510 3.776 74 H GLU 11 H GLU 11 -2.226 -9.564 7.522 75 HA GLU 11 HA GLU 11 -2.604 -7.119 6.015 76 1HB GLU 11 1HB GLU 11 -1.804 -8.020 8.623 77 2HB GLU 11 2HB GLU 11 -0.628 -6.840 8.047 78 1HG GLU 11 1HG GLU 11 -3.626 -6.397 7.976 79 2HG GLU 11 2HG GLU 11 -2.584 -5.823 9.278 80 H ALA 12 H ALA 12 -0.259 -9.599 5.852 81 HA ALA 12 HA ALA 12 1.996 -7.904 5.051 82 1HB ALA 12 1HB ALA 12 1.384 -10.760 5.573 83 2HB ALA 12 2HB ALA 12 2.698 -10.448 4.439 84 3HB ALA 12 3HB ALA 12 2.773 -9.797 6.077 85 H CYS 13 H CYS 13 -0.324 -10.101 3.372 86 HA CYS 13 HA CYS 13 0.743 -8.956 0.816 87 1HB CYS 13 2HB CYS 13 1.321 -11.370 1.439 88 2HB CYS 13 1HB CYS 13 0.614 -11.126 -0.154 89 H GLY 14 H GLY 14 -2.146 -10.158 2.488 90 1HA GLY 14 1HA GLY 14 -4.201 -8.747 2.129 91 2HA GLY 14 2HA GLY 14 -3.776 -8.731 0.418 92 H TYR 15 H TYR 15 -3.278 -11.676 2.158 93 HA TYR 15 HA TYR 15 -5.221 -13.087 0.483 94 1HB TYR 15 1HB TYR 15 -3.056 -14.065 0.982 95 2HB TYR 15 2HB TYR 15 -3.316 -13.867 2.714 96 HD1 TYR 15 HD1 TYR 15 -4.969 -15.271 3.909 97 HD2 TYR 15 HD2 TYR 15 -4.080 -15.882 -0.248 98 HE1 TYR 15 HE1 TYR 15 -6.047 -17.500 4.008 99 HE2 TYR 15 HE2 TYR 15 -5.158 -18.114 -0.151 100 HH TYR 15 HH TYR 15 -6.827 -19.226 2.771 101 H ILE 16 H ILE 16 -6.933 -14.466 1.467 102 HA ILE 16 HA ILE 16 -7.921 -13.394 4.088 103 HB ILE 16 HB ILE 16 -9.325 -13.932 1.459 104 1HG1 ILE 16 2HG1 ILE 16 -8.910 -11.544 3.258 105 2HG1 ILE 16 1HG1 ILE 16 -10.182 -11.568 2.038 106 1HG2 ILE 16 1HG2 ILE 16 -10.505 -13.611 4.227 107 2HG2 ILE 16 2HG2 ILE 16 -11.429 -13.276 2.762 108 3HG2 ILE 16 3HG2 ILE 16 -10.810 -14.901 3.064 109 1HD1 ILE 16 1HD1 ILE 16 -7.883 -12.502 0.719 110 2HD1 ILE 16 2HD1 ILE 16 -8.635 -10.918 0.534 111 3HD1 ILE 16 3HD1 ILE 16 -7.332 -11.144 1.700 112 H TYR 17 H TYR 17 -8.020 -15.038 5.565 113 HA TYR 17 HA TYR 17 -7.990 -17.853 4.682 114 1HB TYR 17 1HB TYR 17 -6.545 -17.214 6.495 115 2HB TYR 17 2HB TYR 17 -7.858 -16.393 7.337 116 HD1 TYR 17 HD1 TYR 17 -6.806 -19.774 6.105 117 HD2 TYR 17 HD2 TYR 17 -9.142 -17.541 8.938 118 HE1 TYR 17 HE1 TYR 17 -7.367 -21.875 7.302 119 HE2 TYR 17 HE2 TYR 17 -9.705 -19.643 10.130 120 HH TYR 17 HH TYR 17 -9.409 -22.607 8.867 121 H GLU 18 H GLU 18 -9.737 -19.239 4.815 122 HA GLU 18 HA GLU 18 -12.319 -18.100 5.834 123 1HB GLU 18 1HB GLU 18 -11.701 -20.128 3.662 124 2HB GLU 18 2HB GLU 18 -13.326 -19.642 4.144 125 1HG GLU 18 1HG GLU 18 -12.442 -17.214 3.696 126 2HG GLU 18 2HG GLU 18 -11.208 -18.034 2.740 127 HA PRO 19 HA PRO 19 -11.646 -21.515 8.715 128 1HB PRO 19 1HB PRO 19 -13.688 -20.838 10.413 129 2HB PRO 19 2HB PRO 19 -12.090 -20.088 10.457 130 1HG PRO 19 1HG PRO 19 -14.628 -19.054 9.323 131 2HG PRO 19 2HG PRO 19 -13.317 -18.193 10.133 132 1HD PRO 19 1HD PRO 19 -13.695 -18.232 7.410 133 2HD PRO 19 2HD PRO 19 -12.139 -17.916 8.205 134 H GLU 20 H GLU 20 -15.057 -20.593 8.382 135 HA GLU 20 HA GLU 20 -16.300 -23.058 8.554 136 1HB GLU 20 1HB GLU 20 -17.342 -20.800 8.305 137 2HB GLU 20 2HB GLU 20 -16.944 -20.839 6.589 138 1HG GLU 20 1HG GLU 20 -18.802 -22.034 6.167 139 2HG GLU 20 2HG GLU 20 -18.258 -23.293 7.277 140 H LYS 21 H LYS 21 -14.412 -21.847 5.845 141 HA LYS 21 HA LYS 21 -15.222 -24.169 4.165 142 1HB LYS 21 1HB LYS 21 -15.120 -21.685 3.437 143 2HB LYS 21 2HB LYS 21 -13.369 -21.897 3.438 144 1HG LYS 21 2HG LYS 21 -13.657 -23.847 1.894 145 2HG LYS 21 1HG LYS 21 -14.214 -22.327 1.193 146 1HD LYS 21 1HD LYS 21 -15.880 -24.569 2.350 147 2HD LYS 21 2HD LYS 21 -16.539 -22.954 2.089 148 1HE LYS 21 1HE LYS 21 -15.505 -23.260 -0.333 149 2HE LYS 21 2HE LYS 21 -15.642 -24.983 0.064 150 1HZ LYS 21 1HZ LYS 21 -17.829 -22.993 0.404 151 2HZ LYS 21 2HZ LYS 21 -17.698 -24.045 -0.923 152 3HZ LYS 21 3HZ LYS 21 -17.941 -24.670 0.638 153 H GLY 22 H GLY 22 -12.465 -22.806 5.883 154 1HA GLY 22 1HA GLY 22 -10.547 -23.993 6.630 155 2HA GLY 22 2HA GLY 22 -11.081 -25.386 5.692 156 H ASP 23 H ASP 23 -8.414 -24.065 5.801 157 HA ASP 23 HA ASP 23 -8.065 -22.803 3.169 158 1HB ASP 23 1HB ASP 23 -6.850 -22.533 5.561 159 2HB ASP 23 2HB ASP 23 -5.784 -23.741 4.846 160 H LYS 24 H LYS 24 -9.093 -25.059 2.406 161 HA LYS 24 HA LYS 24 -7.802 -27.508 2.342 162 1HB LYS 24 1HB LYS 24 -9.861 -26.251 1.021 163 2HB LYS 24 2HB LYS 24 -8.726 -26.566 -0.291 164 1HG LYS 24 1HG LYS 24 -8.643 -28.932 0.291 165 2HG LYS 24 2HG LYS 24 -9.662 -28.651 1.702 166 1HD LYS 24 1HD LYS 24 -11.574 -28.450 0.448 167 2HD LYS 24 2HD LYS 24 -10.728 -27.710 -0.910 168 1HE LYS 24 1HE LYS 24 -10.304 -29.735 -1.900 169 2HE LYS 24 2HE LYS 24 -10.000 -30.536 -0.346 170 1HZ LYS 24 1HZ LYS 24 -12.696 -29.559 -1.071 171 2HZ LYS 24 2HZ LYS 24 -12.170 -31.090 -1.576 172 3HZ LYS 24 3HZ LYS 24 -12.269 -30.731 0.082 173 H PHE 25 H PHE 25 -6.807 -24.563 0.684 174 HA PHE 25 HA PHE 25 -4.899 -25.772 -1.113 175 1HB PHE 25 1HB PHE 25 -5.528 -23.059 -0.003 176 2HB PHE 25 2HB PHE 25 -3.995 -23.279 -0.848 177 HD1 PHE 25 HD1 PHE 25 -3.991 -24.151 -3.210 178 HD2 PHE 25 HD2 PHE 25 -7.602 -22.998 -1.189 179 HE1 PHE 25 HE1 PHE 25 -5.171 -24.034 -5.387 180 HE2 PHE 25 HE2 PHE 25 -8.783 -22.881 -3.368 181 HZ PHE 25 HZ PHE 25 -7.567 -23.399 -5.466 182 H ALA 26 H ALA 26 -4.816 -24.851 2.266 183 HA ALA 26 HA ALA 26 -1.868 -25.279 2.401 184 1HB ALA 26 3HB ALA 26 -2.804 -23.258 3.414 185 2HB ALA 26 1HB ALA 26 -3.938 -24.226 4.355 186 3HB ALA 26 2HB ALA 26 -2.209 -24.320 4.690 187 H GLY 27 H GLY 27 -4.945 -26.655 3.417 188 1HA GLY 27 1HA GLY 27 -4.828 -29.173 3.706 189 2HA GLY 27 2HA GLY 27 -3.436 -28.872 4.742 190 H ILE 28 H ILE 28 -5.960 -26.538 5.043 191 HA ILE 28 HA ILE 28 -6.703 -27.760 7.667 192 HB ILE 28 HB ILE 28 -6.880 -24.948 6.540 193 1HG1 ILE 28 1HG1 ILE 28 -5.251 -25.632 8.929 194 2HG1 ILE 28 2HG1 ILE 28 -4.652 -26.227 7.379 195 1HG2 ILE 28 1HG2 ILE 28 -8.141 -26.220 8.853 196 2HG2 ILE 28 2HG2 ILE 28 -7.145 -24.836 9.307 197 3HG2 ILE 28 3HG2 ILE 28 -8.450 -24.636 8.139 198 1HD1 ILE 28 1HD1 ILE 28 -5.560 -23.371 7.637 199 2HD1 ILE 28 2HD1 ILE 28 -3.949 -23.832 8.187 200 3HD1 ILE 28 3HD1 ILE 28 -4.407 -24.070 6.500 201 HA PRO 29 HA PRO 29 -10.592 -28.605 5.579 202 1HB PRO 29 1HB PRO 29 -11.857 -29.744 7.724 203 2HB PRO 29 2HB PRO 29 -10.672 -30.608 6.725 204 1HG PRO 29 1HG PRO 29 -10.322 -29.292 9.379 205 2HG PRO 29 2HG PRO 29 -9.666 -30.826 8.790 206 1HD PRO 29 1HD PRO 29 -8.213 -28.529 8.910 207 2HD PRO 29 2HD PRO 29 -7.914 -29.805 7.711 208 HA PRO 30 HA PRO 30 -13.249 -25.333 6.876 209 1HB PRO 30 1HB PRO 30 -15.758 -26.409 6.735 210 2HB PRO 30 2HB PRO 30 -14.799 -26.009 5.297 211 1HG PRO 30 2HG PRO 30 -15.189 -28.250 4.907 212 2HG PRO 30 1HG PRO 30 -15.223 -28.640 6.633 213 1HD PRO 30 1HD PRO 30 -13.088 -29.376 6.215 214 2HD PRO 30 2HD PRO 30 -12.888 -28.301 4.815 215 H GLY 31 H GLY 31 -15.592 -25.312 8.328 216 1HA GLY 31 1HA GLY 31 -16.272 -25.196 10.581 217 2HA GLY 31 2HA GLY 31 -15.906 -26.920 10.579 218 H THR 32 H THR 32 -13.493 -24.390 10.065 219 HA THR 32 HA THR 32 -12.402 -24.919 12.799 220 HB THR 32 HB THR 32 -10.896 -24.954 10.165 221 HG1 THR 32 HG1 THR 32 -11.685 -26.906 10.210 222 1HG2 THR 32 1HG2 THR 32 -10.078 -24.889 13.014 223 2HG2 THR 32 2HG2 THR 32 -9.228 -26.050 11.993 224 3HG2 THR 32 3HG2 THR 32 -9.213 -24.334 11.581 225 HA PRO 33 HA PRO 33 -12.272 -20.443 12.412 226 1HB PRO 33 1HB PRO 33 -11.415 -19.938 14.961 227 2HB PRO 33 2HB PRO 33 -13.101 -20.324 14.568 228 1HG PRO 33 1HG PRO 33 -10.963 -22.067 15.690 229 2HG PRO 33 2HG PRO 33 -12.687 -22.007 16.080 230 1HD PRO 33 1HD PRO 33 -11.552 -23.905 14.470 231 2HD PRO 33 2HD PRO 33 -13.250 -23.397 14.352 232 H PHE 34 H PHE 34 -10.554 -18.850 12.318 233 HA PHE 34 HA PHE 34 -8.008 -19.777 11.471 234 1HB PHE 34 1HB PHE 34 -8.797 -17.613 10.832 235 2HB PHE 34 2HB PHE 34 -9.088 -17.141 12.497 236 HD1 PHE 34 HD1 PHE 34 -7.224 -16.524 13.982 237 HD2 PHE 34 HD2 PHE 34 -6.554 -17.589 9.875 238 HE1 PHE 34 HE1 PHE 34 -4.932 -15.590 14.114 239 HE2 PHE 34 HE2 PHE 34 -4.261 -16.655 10.007 240 HZ PHE 34 HZ PHE 34 -3.450 -15.656 12.129 241 H VAL 35 H VAL 35 -9.220 -18.955 14.676 242 HA VAL 35 HA VAL 35 -6.726 -18.710 16.049 243 HB VAL 35 HB VAL 35 -8.147 -19.088 18.025 244 1HG1 VAL 35 1HG1 VAL 35 -8.279 -16.961 16.577 245 2HG1 VAL 35 2HG1 VAL 35 -9.805 -17.610 15.977 246 3HG1 VAL 35 3HG1 VAL 35 -9.614 -17.250 17.693 247 1HG2 VAL 35 1HG2 VAL 35 -9.785 -20.484 16.000 248 2HG2 VAL 35 2HG2 VAL 35 -9.660 -20.767 17.736 249 3HG2 VAL 35 3HG2 VAL 35 -10.700 -19.481 17.126 250 H ASP 36 H ASP 36 -8.265 -21.478 14.676 251 HA ASP 36 HA ASP 36 -6.815 -23.360 16.470 252 1HB ASP 36 1HB ASP 36 -9.231 -23.321 14.847 253 2HB ASP 36 2HB ASP 36 -8.258 -24.755 14.514 254 H LEU 37 H LEU 37 -6.088 -21.670 13.685 255 HA LEU 37 HA LEU 37 -5.068 -23.532 11.838 256 1HB LEU 37 1HB LEU 37 -4.309 -20.759 12.739 257 2HB LEU 37 2HB LEU 37 -3.356 -21.571 11.497 258 HG LEU 37 HG LEU 37 -6.353 -21.098 11.394 259 1HD1 LEU 37 1HD1 LEU 37 -4.768 -19.100 11.083 260 2HD1 LEU 37 2HD1 LEU 37 -4.221 -19.907 9.613 261 3HD1 LEU 37 3HD1 LEU 37 -5.906 -19.415 9.773 262 1HD2 LEU 37 1HD2 LEU 37 -4.430 -22.672 9.745 263 2HD2 LEU 37 2HD2 LEU 37 -6.136 -22.973 10.077 264 3HD2 LEU 37 3HD2 LEU 37 -5.670 -21.760 8.884 265 H SER 38 H SER 38 -2.644 -23.973 11.494 266 HA SER 38 HA SER 38 -1.564 -25.457 13.674 267 1HB SER 38 1HB SER 38 -0.866 -26.049 11.510 268 2HB SER 38 2HB SER 38 -0.554 -24.374 11.053 269 HG SER 38 HG SER 38 1.398 -25.377 11.439 270 H ASP 39 H ASP 39 0.288 -24.986 15.010 271 HA ASP 39 HA ASP 39 0.392 -22.460 16.254 272 1HB ASP 39 1HB ASP 39 2.631 -23.325 17.065 273 2HB ASP 39 2HB ASP 39 1.300 -24.464 17.262 274 H SER 40 H SER 40 2.336 -23.711 13.550 275 HA SER 40 HA SER 40 3.443 -20.948 13.173 276 1HB SER 40 1HB SER 40 5.438 -22.068 12.318 277 2HB SER 40 2HB SER 40 5.030 -22.748 13.893 278 HG SER 40 HG SER 40 4.878 -23.875 11.361 279 H PHE 41 H PHE 41 0.939 -21.671 12.025 280 HA PHE 41 HA PHE 41 1.110 -22.733 9.373 281 1HB PHE 41 1HB PHE 41 -0.995 -22.564 10.506 282 2HB PHE 41 2HB PHE 41 -0.776 -20.854 10.820 283 HD1 PHE 41 HD1 PHE 41 -1.580 -23.384 8.254 284 HD2 PHE 41 HD2 PHE 41 -1.177 -19.187 9.082 285 HE1 PHE 41 HE1 PHE 41 -2.726 -22.850 6.121 286 HE2 PHE 41 HE2 PHE 41 -2.321 -18.656 6.950 287 HZ PHE 41 HZ PHE 41 -3.096 -20.487 5.468 288 H MET 42 H MET 42 1.685 -21.748 7.440 289 HA MET 42 HA MET 42 2.543 -18.879 7.585 290 1HB MET 42 1HB MET 42 3.372 -21.072 5.654 291 2HB MET 42 2HB MET 42 4.112 -19.481 5.819 292 1HG MET 42 1HG MET 42 3.972 -21.424 8.131 293 2HG MET 42 2HG MET 42 5.314 -21.423 6.988 294 1HE MET 42 1HE MET 42 6.927 -20.227 6.760 295 2HE MET 42 2HE MET 42 6.689 -18.486 6.623 296 3HE MET 42 3HE MET 42 7.644 -19.136 7.953 297 H CYS 43 H CYS 43 2.207 -17.669 5.502 298 HA CYS 43 HA CYS 43 -0.512 -18.019 4.527 299 1HB CYS 43 1HB CYS 43 0.841 -15.877 4.927 300 2HB CYS 43 2HB CYS 43 1.679 -16.260 3.423 301 HA PRO 44 HA PRO 44 0.743 -20.629 1.131 302 1HB PRO 44 1HB PRO 44 -1.663 -20.705 -0.168 303 2HB PRO 44 2HB PRO 44 -1.323 -21.653 1.291 304 1HG PRO 44 1HG PRO 44 -2.854 -19.124 0.983 305 2HG PRO 44 2HG PRO 44 -3.144 -20.496 2.062 306 1HD PRO 44 1HD PRO 44 -1.990 -18.115 2.830 307 2HD PRO 44 2HD PRO 44 -1.772 -19.658 3.679 308 H ALA 45 H ALA 45 -0.015 -17.344 1.047 309 HA ALA 45 HA ALA 45 0.447 -17.191 -1.907 310 1HB ALA 45 2HB ALA 45 -0.641 -14.890 -0.373 311 2HB ALA 45 1HB ALA 45 -1.681 -16.310 -0.491 312 3HB ALA 45 3HB ALA 45 -1.114 -15.508 -1.956 313 H CYS 46 H CYS 46 1.388 -15.892 1.267 314 HA CYS 46 HA CYS 46 3.755 -14.677 -0.094 315 1HB CYS 46 1HB CYS 46 3.389 -12.639 0.954 316 2HB CYS 46 2HB CYS 46 1.734 -13.188 0.733 317 H ARG 47 H ARG 47 2.929 -17.101 1.891 318 HA ARG 47 HA ARG 47 4.111 -18.393 3.469 319 1HB ARG 47 1HB ARG 47 5.826 -17.376 1.559 320 2HB ARG 47 2HB ARG 47 6.625 -16.931 3.068 321 1HG ARG 47 1HG ARG 47 5.550 -19.662 3.096 322 2HG ARG 47 2HG ARG 47 6.772 -19.414 1.849 323 1HD ARG 47 1HD ARG 47 7.499 -18.183 4.419 324 2HD ARG 47 2HD ARG 47 7.327 -19.946 4.506 325 HE ARG 47 HE ARG 47 8.724 -19.604 2.165 326 1HH1 ARG 47 1HH1 ARG 47 9.869 -17.062 2.962 327 2HH1 ARG 47 2HH1 ARG 47 11.246 -17.504 3.915 328 1HH2 ARG 47 1HH2 ARG 47 10.175 -20.760 4.433 329 2HH2 ARG 47 2HH2 ARG 47 11.420 -19.597 4.747 330 H SER 48 H SER 48 3.174 -15.446 4.222 331 HA SER 48 HA SER 48 5.015 -14.619 6.309 332 1HB SER 48 1HB SER 48 3.579 -12.971 5.389 333 2HB SER 48 2HB SER 48 2.163 -14.014 5.521 334 HG SER 48 HG SER 48 1.968 -13.536 7.576 335 HA PRO 49 HA PRO 49 3.783 -17.354 9.535 336 1HB PRO 49 1HB PRO 49 3.967 -15.713 11.728 337 2HB PRO 49 2HB PRO 49 5.382 -16.382 10.891 338 1HG PRO 49 2HG PRO 49 5.844 -14.118 10.736 339 2HG PRO 49 1HG PRO 49 4.132 -13.677 10.647 340 1HD PRO 49 1HD PRO 49 4.629 -13.508 8.402 341 2HD PRO 49 2HD PRO 49 5.940 -14.703 8.504 342 H LYS 50 H LYS 50 1.827 -17.968 10.479 343 HA LYS 50 HA LYS 50 -0.612 -16.761 9.831 344 1HB LYS 50 1HB LYS 50 -0.189 -19.063 10.737 345 2HB LYS 50 2HB LYS 50 0.072 -18.349 12.328 346 1HG LYS 50 1HG LYS 50 -2.299 -17.236 11.798 347 2HG LYS 50 2HG LYS 50 -2.462 -18.667 10.782 348 1HD LYS 50 1HD LYS 50 -2.425 -20.118 12.579 349 2HD LYS 50 2HD LYS 50 -1.419 -19.048 13.556 350 1HE LYS 50 1HE LYS 50 -3.357 -17.528 13.876 351 2HE LYS 50 2HE LYS 50 -4.366 -18.635 12.926 352 1HZ LYS 50 1HZ LYS 50 -3.538 -20.419 14.499 353 2HZ LYS 50 2HZ LYS 50 -2.979 -19.161 15.495 354 3HZ LYS 50 3HZ LYS 50 -4.637 -19.306 15.154 355 H ASN 51 H ASN 51 1.595 -15.898 12.421 356 HA ASN 51 HA ASN 51 -0.281 -14.423 14.032 357 1HB ASN 51 1HB ASN 51 2.088 -15.249 14.573 358 2HB ASN 51 2HB ASN 51 2.671 -13.858 13.657 359 2HD2 ASN 51 2HD2 ASN 51 3.514 -12.717 15.521 360 1HD2 ASN 51 1HD2 ASN 51 2.501 -12.082 16.725 361 H GLN 52 H GLN 52 1.019 -13.818 10.918 362 HA GLN 52 HA GLN 52 0.836 -10.884 11.114 363 1HB GLN 52 1HB GLN 52 2.073 -12.866 9.473 364 2HB GLN 52 2HB GLN 52 1.030 -11.894 8.435 365 1HG GLN 52 2HG GLN 52 3.270 -10.884 8.580 366 2HG GLN 52 1HG GLN 52 3.142 -10.830 10.339 367 2HE2 GLN 52 2HE2 GLN 52 0.531 -10.081 7.999 368 1HE2 GLN 52 1HE2 GLN 52 0.363 -8.461 8.468 369 H PHE 53 H PHE 53 -1.399 -13.385 10.797 370 HA PHE 53 HA PHE 53 -3.141 -12.060 8.820 371 1HB PHE 53 1HB PHE 53 -3.272 -14.504 10.594 372 2HB PHE 53 2HB PHE 53 -4.649 -13.996 9.619 373 HD1 PHE 53 HD1 PHE 53 -0.962 -14.615 9.296 374 HD2 PHE 53 HD2 PHE 53 -4.831 -14.803 7.440 375 HE1 PHE 53 HE1 PHE 53 0.042 -15.717 7.315 376 HE2 PHE 53 HE2 PHE 53 -3.827 -15.907 5.459 377 HZ PHE 53 HZ PHE 53 -1.391 -16.365 5.399 378 H LYS 54 H LYS 54 -4.812 -10.680 9.361 379 HA LYS 54 HA LYS 54 -5.440 -10.357 12.277 380 1HB LYS 54 1HB LYS 54 -4.189 -8.542 10.850 381 2HB LYS 54 2HB LYS 54 -5.789 -8.221 10.180 382 1HG LYS 54 1HG LYS 54 -5.591 -8.431 13.146 383 2HG LYS 54 2HG LYS 54 -4.886 -6.995 12.400 384 1HD LYS 54 1HD LYS 54 -7.232 -7.102 11.055 385 2HD LYS 54 2HD LYS 54 -7.731 -7.836 12.579 386 1HE LYS 54 1HE LYS 54 -6.297 -5.732 13.530 387 2HE LYS 54 2HE LYS 54 -6.901 -5.039 12.013 388 1HZ LYS 54 1HZ LYS 54 -8.662 -6.608 13.800 389 2HZ LYS 54 2HZ LYS 54 -8.429 -4.943 14.052 390 3HZ LYS 54 3HZ LYS 54 -9.100 -5.500 12.595 391 H SER 55 H SER 55 -7.623 -10.421 12.821 392 HA SER 55 HA SER 55 -9.500 -11.608 11.024 393 1HB SER 55 1HB SER 55 -11.110 -10.979 12.858 394 2HB SER 55 2HB SER 55 -9.675 -11.816 13.422 395 HG SER 55 HG SER 55 -10.277 -9.069 13.558 396 H ILE 56 H ILE 56 -11.727 -10.501 10.759 397 HA ILE 56 HA ILE 56 -11.684 -7.602 10.250 398 HB ILE 56 HB ILE 56 -12.298 -8.088 7.780 399 1HG1 ILE 56 1HG1 ILE 56 -10.894 -10.688 8.461 400 2HG1 ILE 56 2HG1 ILE 56 -12.620 -10.541 8.123 401 1HG2 ILE 56 1HG2 ILE 56 -10.057 -7.234 8.787 402 2HG2 ILE 56 2HG2 ILE 56 -9.468 -8.864 8.461 403 3HG2 ILE 56 3HG2 ILE 56 -10.048 -7.856 7.135 404 1HD1 ILE 56 1HD1 ILE 56 -11.509 -9.237 5.972 405 2HD1 ILE 56 2HD1 ILE 56 -10.329 -10.512 6.271 406 3HD1 ILE 56 3HD1 ILE 56 -12.013 -10.928 5.966 407 H LYS 57 H LYS 57 -13.506 -7.686 11.708 408 HA LYS 57 HA LYS 57 -15.918 -9.145 10.718 409 1HB LYS 57 1HB LYS 57 -15.004 -8.018 13.371 410 2HB LYS 57 2HB LYS 57 -16.672 -8.533 13.112 411 1HG LYS 57 1HG LYS 57 -15.854 -10.778 12.439 412 2HG LYS 57 2HG LYS 57 -14.198 -10.256 12.754 413 1HD LYS 57 2HD LYS 57 -15.539 -9.559 15.082 414 2HD LYS 57 1HD LYS 57 -14.530 -10.989 14.871 415 1HE LYS 57 1HE LYS 57 -17.248 -11.338 13.801 416 2HE LYS 57 2HE LYS 57 -16.337 -12.373 14.918 417 1HZ LYS 57 1HZ LYS 57 -17.369 -9.730 15.759 418 2HZ LYS 57 2HZ LYS 57 -18.355 -11.112 15.841 419 3HZ LYS 57 3HZ LYS 57 -16.914 -11.047 16.731 420 H LYS 58 H LYS 58 -15.820 -7.207 9.061 421 HA LYS 58 HA LYS 58 -17.785 -5.203 9.982 422 1HB LYS 58 1HB LYS 58 -14.990 -4.725 9.995 423 2HB LYS 58 2HB LYS 58 -15.639 -3.828 8.622 424 1HG LYS 58 1HG LYS 58 -17.133 -2.597 9.992 425 2HG LYS 58 2HG LYS 58 -16.950 -3.718 11.342 426 1HD LYS 58 1HD LYS 58 -14.452 -2.430 10.394 427 2HD LYS 58 2HD LYS 58 -15.615 -1.358 11.173 428 1HE LYS 58 1HE LYS 58 -15.585 -2.630 13.195 429 2HE LYS 58 2HE LYS 58 -14.767 -3.993 12.411 430 1HZ LYS 58 1HZ LYS 58 -13.577 -1.285 12.415 431 2HZ LYS 58 2HZ LYS 58 -13.336 -2.336 13.729 432 3HZ LYS 58 3HZ LYS 58 -12.808 -2.778 12.175 433 H VAL 59 H VAL 59 -19.006 -4.415 8.234 434 HA VAL 59 HA VAL 59 -18.144 -5.256 5.489 435 HB VAL 59 HB VAL 59 -20.489 -5.958 5.116 436 1HG1 VAL 59 1HG1 VAL 59 -19.220 -7.140 7.606 437 2HG1 VAL 59 2HG1 VAL 59 -20.472 -7.919 6.637 438 3HG1 VAL 59 3HG1 VAL 59 -18.879 -7.619 5.944 439 1HG2 VAL 59 1HG2 VAL 59 -20.796 -5.145 8.021 440 2HG2 VAL 59 2HG2 VAL 59 -21.621 -4.436 6.634 441 3HG2 VAL 59 3HG2 VAL 59 -21.989 -6.088 7.128 442 H ILE 60 H ILE 60 -18.834 -3.829 3.817 443 HA ILE 60 HA ILE 60 -20.468 -1.464 4.538 444 HB ILE 60 HB ILE 60 -18.169 -0.902 5.202 445 1HG1 ILE 60 1HG1 ILE 60 -18.469 0.530 2.593 446 2HG1 ILE 60 2HG1 ILE 60 -19.773 0.674 3.770 447 1HG2 ILE 60 1HG2 ILE 60 -17.513 -2.483 2.958 448 2HG2 ILE 60 2HG2 ILE 60 -16.962 -0.852 2.575 449 3HG2 ILE 60 3HG2 ILE 60 -16.393 -1.653 4.039 450 1HD1 ILE 60 1HD1 ILE 60 -17.814 1.160 5.457 451 2HD1 ILE 60 2HD1 ILE 60 -16.913 1.564 3.997 452 3HD1 ILE 60 3HD1 ILE 60 -18.388 2.446 4.395 453 H ALA 61 H ALA 61 -21.692 -2.903 2.871 454 HA ALA 61 HA ALA 61 -21.271 -1.730 0.197 455 1HB ALA 61 2HB ALA 61 -21.511 -4.500 -0.285 456 2HB ALA 61 3HB ALA 61 -20.078 -3.504 -0.533 457 3HB ALA 61 1HB ALA 61 -20.313 -4.344 0.999 458 H GLY 62 H GLY 62 -23.434 -0.907 0.976 459 1HA GLY 62 1HA GLY 62 -25.622 -2.002 -0.293 460 2HA GLY 62 2HA GLY 62 -25.621 -2.815 1.273 461 H PHE 63 H PHE 63 -26.287 -1.656 3.088 462 HA PHE 63 HA PHE 63 -26.705 1.280 2.833 463 1HB PHE 63 1HB PHE 63 -28.689 -0.488 2.197 464 2HB PHE 63 2HB PHE 63 -28.995 -0.254 3.918 465 HD1 PHE 63 HD1 PHE 63 -27.983 1.860 0.978 466 HD2 PHE 63 HD2 PHE 63 -30.483 1.454 4.447 467 HE1 PHE 63 HE1 PHE 63 -29.014 4.063 0.493 468 HE2 PHE 63 HE2 PHE 63 -31.514 3.655 3.963 469 HZ PHE 63 HZ PHE 63 -30.780 4.961 1.985 470 H ALA 64 H ALA 64 -28.303 1.485 5.184 471 HA ALA 64 HA ALA 64 -26.234 1.057 7.240 472 1HB ALA 64 1HB ALA 64 -28.909 2.447 7.042 473 2HB ALA 64 2HB ALA 64 -28.076 2.290 8.588 474 3HB ALA 64 3HB ALA 64 -27.315 3.169 7.262 475 H GLU 65 H GLU 65 -26.886 -1.449 6.607 476 HA GLU 65 HA GLU 65 -28.786 -2.311 8.763 477 1HB GLU 65 1HB GLU 65 -29.459 -4.124 7.193 478 2HB GLU 65 2HB GLU 65 -29.783 -2.525 6.523 479 1HG GLU 65 1HG GLU 65 -27.647 -2.636 5.267 480 2HG GLU 65 2HG GLU 65 -27.366 -4.254 5.911 481 H ASN 66 H ASN 66 -28.327 -5.044 8.599 482 HA ASN 66 HA ASN 66 -25.500 -5.703 8.444 483 1HB ASN 66 1HB ASN 66 -25.818 -4.188 10.501 484 2HB ASN 66 2HB ASN 66 -26.694 -5.540 11.219 485 2HD2 ASN 66 2HD2 ASN 66 -23.522 -4.739 9.714 486 1HD2 ASN 66 1HD2 ASN 66 -22.643 -5.893 10.594 487 H GLN 67 H GLN 67 -28.658 -6.498 9.895 488 HA GLN 67 HA GLN 67 -28.067 -9.388 9.340 489 1HB GLN 67 1HB GLN 67 -28.775 -7.969 11.736 490 2HB GLN 67 2HB GLN 67 -30.085 -9.077 11.328 491 1HG GLN 67 1HG GLN 67 -28.011 -10.721 10.879 492 2HG GLN 67 2HG GLN 67 -27.258 -9.669 12.077 493 2HE2 GLN 67 2HE2 GLN 67 -30.565 -11.089 11.693 494 1HE2 GLN 67 1HE2 GLN 67 -30.649 -11.684 13.279 495 H LYS 68 H LYS 68 -30.642 -10.366 9.777 496 HA LYS 68 HA LYS 68 -32.185 -9.042 7.573 497 1HB LYS 68 1HB LYS 68 -31.791 -11.892 8.487 498 2HB LYS 68 2HB LYS 68 -33.154 -11.452 7.457 499 1HG LYS 68 1HG LYS 68 -31.538 -10.437 5.837 500 2HG LYS 68 2HG LYS 68 -30.214 -11.034 6.838 501 1HD LYS 68 1HD LYS 68 -30.766 -13.300 6.407 502 2HD LYS 68 2HD LYS 68 -32.367 -12.879 5.798 503 1HE LYS 68 2HE LYS 68 -30.854 -11.461 4.058 504 2HE LYS 68 1HE LYS 68 -31.279 -13.159 3.767 505 1HZ LYS 68 1HZ LYS 68 -29.254 -13.688 5.178 506 2HZ LYS 68 2HZ LYS 68 -28.943 -13.075 3.623 507 3HZ LYS 68 3HZ LYS 68 -28.802 -12.062 4.976 508 H TYR 69 H TYR 69 -32.334 -10.351 10.841 509 HA TYR 69 HA TYR 69 -35.177 -9.403 11.036 510 1HB TYR 69 1HB TYR 69 -34.301 -11.954 11.237 511 2HB TYR 69 2HB TYR 69 -34.085 -11.445 12.911 512 HD1 TYR 69 HD1 TYR 69 -36.642 -10.897 10.205 513 HD2 TYR 69 HD2 TYR 69 -35.876 -11.931 14.303 514 HE1 TYR 69 HE1 TYR 69 -39.078 -11.146 10.597 515 HE2 TYR 69 HE2 TYR 69 -38.312 -12.179 14.697 516 HH TYR 69 HH TYR 69 -40.359 -11.897 13.833 517 H GLY 70 H GLY 70 -33.765 -7.333 11.557 518 1HA GLY 70 1HA GLY 70 -33.416 -5.765 13.297 519 2HA GLY 70 2HA GLY 70 -33.763 -7.038 14.467 No H/Q in entry = 519 Start of MODEL 7 1 H1 MET 1 1H MET 1 -18.360 -5.297 2.778 2 H2 MET 1 2H MET 1 -18.655 -6.383 1.510 3 H3 MET 1 3H MET 1 -18.439 -4.731 1.179 4 HA MET 1 HA MET 1 -20.501 -4.148 2.162 5 1HB MET 1 1HB MET 1 -20.217 -6.327 0.187 6 2HB MET 1 2HB MET 1 -21.831 -6.179 0.883 7 1HG MET 1 1HG MET 1 -21.964 -3.851 0.230 8 2HG MET 1 2HG MET 1 -20.278 -3.854 -0.289 9 1HE MET 1 1HE MET 1 -19.293 -4.951 -1.996 10 2HE MET 1 2HE MET 1 -20.026 -5.379 -3.540 11 3HE MET 1 3HE MET 1 -20.040 -3.702 -3.002 12 H GLU 2 H GLU 2 -20.098 -4.757 4.512 13 HA GLU 2 HA GLU 2 -20.764 -5.882 6.477 14 1HB GLU 2 1HB GLU 2 -22.928 -5.277 5.245 15 2HB GLU 2 2HB GLU 2 -22.962 -6.951 4.690 16 1HG GLU 2 1HG GLU 2 -23.350 -7.790 6.819 17 2HG GLU 2 2HG GLU 2 -22.568 -6.424 7.612 18 H ILE 3 H ILE 3 -19.027 -7.396 6.625 19 HA ILE 3 HA ILE 3 -19.792 -10.197 6.023 20 HB ILE 3 HB ILE 3 -17.505 -10.495 4.924 21 1HG1 ILE 3 1HG1 ILE 3 -17.520 -7.591 4.272 22 2HG1 ILE 3 2HG1 ILE 3 -16.953 -8.032 5.883 23 1HG2 ILE 3 1HG2 ILE 3 -19.884 -10.006 3.824 24 2HG2 ILE 3 2HG2 ILE 3 -19.066 -8.537 3.294 25 3HG2 ILE 3 3HG2 ILE 3 -18.424 -10.116 2.841 26 1HD1 ILE 3 1HD1 ILE 3 -15.810 -9.868 4.011 27 2HD1 ILE 3 2HD1 ILE 3 -15.547 -8.233 3.403 28 3HD1 ILE 3 3HD1 ILE 3 -14.981 -8.676 5.013 29 H ASP 4 H ASP 4 -18.894 -11.619 7.533 30 HA ASP 4 HA ASP 4 -16.496 -11.200 9.010 31 1HB ASP 4 1HB ASP 4 -17.551 -10.600 11.186 32 2HB ASP 4 2HB ASP 4 -17.709 -9.319 9.984 33 H GLU 5 H GLU 5 -16.075 -13.304 9.192 34 HA GLU 5 HA GLU 5 -17.850 -15.064 10.751 35 1HB GLU 5 1HB GLU 5 -17.728 -14.996 7.831 36 2HB GLU 5 2HB GLU 5 -17.354 -16.596 8.470 37 1HG GLU 5 1HG GLU 5 -19.457 -16.138 10.001 38 2HG GLU 5 2HG GLU 5 -19.878 -14.994 8.727 39 H GLY 6 H GLY 6 -15.000 -13.973 10.724 40 1HA GLY 6 1HA GLY 6 -13.109 -15.021 11.798 41 2HA GLY 6 2HA GLY 6 -13.679 -16.584 11.223 42 H LYS 7 H LYS 7 -13.634 -13.892 9.019 43 HA LYS 7 HA LYS 7 -11.702 -15.299 7.303 44 1HB LYS 7 1HB LYS 7 -13.374 -12.783 7.128 45 2HB LYS 7 2HB LYS 7 -12.242 -13.241 5.855 46 1HG LYS 7 1HG LYS 7 -13.435 -15.540 5.903 47 2HG LYS 7 2HG LYS 7 -14.709 -14.704 6.790 48 1HD LYS 7 1HD LYS 7 -13.719 -13.376 4.318 49 2HD LYS 7 2HD LYS 7 -14.671 -14.844 4.096 50 1HE LYS 7 1HE LYS 7 -16.233 -13.626 5.921 51 2HE LYS 7 2HE LYS 7 -15.507 -12.190 5.176 52 1HZ LYS 7 1HZ LYS 7 -15.985 -13.362 2.984 53 2HZ LYS 7 2HZ LYS 7 -17.014 -14.382 3.870 54 3HZ LYS 7 3HZ LYS 7 -17.319 -12.712 3.804 55 H TYR 8 H TYR 8 -9.541 -14.731 7.102 56 HA TYR 8 HA TYR 8 -8.664 -12.231 8.525 57 1HB TYR 8 1HB TYR 8 -7.672 -15.070 8.534 58 2HB TYR 8 2HB TYR 8 -6.536 -13.760 8.851 59 HD1 TYR 8 HD1 TYR 8 -9.977 -14.874 9.855 60 HD2 TYR 8 HD2 TYR 8 -6.296 -13.016 11.050 61 HE1 TYR 8 HE1 TYR 8 -10.825 -14.702 12.176 62 HE2 TYR 8 HE2 TYR 8 -7.140 -12.849 13.377 63 HH TYR 8 HH TYR 8 -8.884 -14.125 14.796 64 H GLU 9 H GLU 9 -7.326 -10.902 7.342 65 HA GLU 9 HA GLU 9 -6.538 -11.813 4.611 66 1HB GLU 9 1HB GLU 9 -7.986 -9.803 4.919 67 2HB GLU 9 2HB GLU 9 -6.698 -9.049 5.859 68 1HG GLU 9 1HG GLU 9 -5.277 -8.864 3.989 69 2HG GLU 9 2HG GLU 9 -6.166 -10.084 3.079 70 H CYS 10 H CYS 10 -4.353 -11.872 4.040 71 HA CYS 10 HA CYS 10 -2.360 -11.752 6.180 72 1HB CYS 10 1HB CYS 10 -2.562 -13.288 4.070 73 2HB CYS 10 2HB CYS 10 -1.818 -11.939 3.232 74 H GLU 11 H GLU 11 -1.649 -9.736 6.833 75 HA GLU 11 HA GLU 11 -1.740 -7.377 5.156 76 1HB GLU 11 1HB GLU 11 -1.128 -8.167 7.848 77 2HB GLU 11 2HB GLU 11 0.181 -7.149 7.252 78 1HG GLU 11 1HG GLU 11 -1.927 -5.734 6.332 79 2HG GLU 11 2HG GLU 11 -2.675 -6.471 7.748 80 H ALA 12 H ALA 12 0.376 -10.062 5.264 81 HA ALA 12 HA ALA 12 2.801 -8.635 4.447 82 1HB ALA 12 1HB ALA 12 1.929 -11.307 5.280 83 2HB ALA 12 2HB ALA 12 3.153 -11.346 4.012 84 3HB ALA 12 3HB ALA 12 3.481 -10.506 5.528 85 H CYS 13 H CYS 13 0.379 -10.765 2.825 86 HA CYS 13 HA CYS 13 1.620 -9.883 0.245 87 1HB CYS 13 2HB CYS 13 1.968 -12.285 1.015 88 2HB CYS 13 1HB CYS 13 1.294 -12.093 -0.598 89 H GLY 14 H GLY 14 -1.419 -10.671 1.899 90 1HA GLY 14 1HA GLY 14 -3.320 -9.121 1.370 91 2HA GLY 14 2HA GLY 14 -2.834 -9.241 -0.320 92 H TYR 15 H TYR 15 -2.674 -12.123 1.579 93 HA TYR 15 HA TYR 15 -4.751 -13.378 -0.084 94 1HB TYR 15 1HB TYR 15 -2.670 -14.549 0.387 95 2HB TYR 15 2HB TYR 15 -2.899 -14.339 2.122 96 HD1 TYR 15 HD1 TYR 15 -4.100 -16.108 -0.896 97 HD2 TYR 15 HD2 TYR 15 -4.465 -15.706 3.365 98 HE1 TYR 15 HE1 TYR 15 -5.410 -18.212 -0.810 99 HE2 TYR 15 HE2 TYR 15 -5.776 -17.808 3.452 100 HH TYR 15 HH TYR 15 -5.852 -19.997 1.762 101 H ILE 16 H ILE 16 -6.423 -14.787 1.110 102 HA ILE 16 HA ILE 16 -7.318 -13.498 3.662 103 HB ILE 16 HB ILE 16 -8.830 -14.052 1.096 104 1HG1 ILE 16 1HG1 ILE 16 -9.514 -11.586 1.708 105 2HG1 ILE 16 2HG1 ILE 16 -8.066 -11.639 2.712 106 1HG2 ILE 16 1HG2 ILE 16 -10.166 -14.844 3.048 107 2HG2 ILE 16 2HG2 ILE 16 -9.997 -13.249 3.781 108 3HG2 ILE 16 3HG2 ILE 16 -10.889 -13.436 2.271 109 1HD1 ILE 16 1HD1 ILE 16 -7.566 -12.754 0.071 110 2HD1 ILE 16 2HD1 ILE 16 -8.165 -11.098 -0.033 111 3HD1 ILE 16 3HD1 ILE 16 -6.719 -11.455 0.912 112 H TYR 17 H TYR 17 -7.289 -15.128 5.165 113 HA TYR 17 HA TYR 17 -7.452 -17.944 4.445 114 1HB TYR 17 1HB TYR 17 -6.101 -17.256 6.312 115 2HB TYR 17 2HB TYR 17 -7.437 -16.358 7.030 116 HD1 TYR 17 HD1 TYR 17 -6.415 -19.821 6.028 117 HD2 TYR 17 HD2 TYR 17 -8.857 -17.391 8.598 118 HE1 TYR 17 HE1 TYR 17 -7.119 -21.846 7.276 119 HE2 TYR 17 HE2 TYR 17 -9.560 -19.418 9.845 120 HH TYR 17 HH TYR 17 -9.143 -21.614 10.177 121 H GLU 18 H GLU 18 -9.252 -19.252 4.489 122 HA GLU 18 HA GLU 18 -11.856 -18.002 5.292 123 1HB GLU 18 1HB GLU 18 -11.108 -20.144 3.277 124 2HB GLU 18 2HB GLU 18 -12.769 -19.686 3.649 125 1HG GLU 18 1HG GLU 18 -12.365 -17.409 2.902 126 2HG GLU 18 2HG GLU 18 -10.648 -17.745 2.684 127 HA PRO 19 HA PRO 19 -11.410 -21.202 8.447 128 1HB PRO 19 1HB PRO 19 -13.562 -20.406 9.947 129 2HB PRO 19 2HB PRO 19 -11.962 -19.660 10.052 130 1HG PRO 19 1HG PRO 19 -14.403 -18.712 8.644 131 2HG PRO 19 2HG PRO 19 -13.171 -17.793 9.512 132 1HD PRO 19 1HD PRO 19 -13.293 -17.983 6.783 133 2HD PRO 19 2HD PRO 19 -11.799 -17.669 7.688 134 H GLU 20 H GLU 20 -14.850 -20.421 8.073 135 HA GLU 20 HA GLU 20 -15.971 -22.929 8.237 136 1HB GLU 20 1HB GLU 20 -16.676 -20.651 6.363 137 2HB GLU 20 2HB GLU 20 -17.770 -21.968 6.787 138 1HG GLU 20 1HG GLU 20 -16.586 -20.774 9.161 139 2HG GLU 20 2HG GLU 20 -17.428 -19.567 8.192 140 H LYS 21 H LYS 21 -14.165 -21.667 5.490 141 HA LYS 21 HA LYS 21 -14.952 -23.964 3.792 142 1HB LYS 21 2HB LYS 21 -13.660 -22.703 2.092 143 2HB LYS 21 1HB LYS 21 -13.139 -21.572 3.341 144 1HG LYS 21 1HG LYS 21 -15.823 -21.500 3.733 145 2HG LYS 21 2HG LYS 21 -14.979 -20.397 2.646 146 1HD LYS 21 1HD LYS 21 -15.555 -22.927 1.332 147 2HD LYS 21 2HD LYS 21 -17.029 -22.183 1.953 148 1HE LYS 21 1HE LYS 21 -16.951 -20.522 0.396 149 2HE LYS 21 2HE LYS 21 -15.217 -20.254 0.661 150 1HZ LYS 21 1HZ LYS 21 -14.941 -22.509 -0.478 151 2HZ LYS 21 2HZ LYS 21 -16.536 -22.302 -1.026 152 3HZ LYS 21 3HZ LYS 21 -15.332 -21.187 -1.468 153 H GLY 22 H GLY 22 -12.111 -22.688 5.486 154 1HA GLY 22 1HA GLY 22 -10.334 -24.052 6.349 155 2HA GLY 22 2HA GLY 22 -10.876 -25.370 5.312 156 H ASP 23 H ASP 23 -8.177 -24.063 5.649 157 HA ASP 23 HA ASP 23 -7.660 -22.753 3.069 158 1HB ASP 23 1HB ASP 23 -6.603 -22.472 5.505 159 2HB ASP 23 2HB ASP 23 -5.527 -23.741 4.923 160 H LYS 24 H LYS 24 -8.639 -24.991 2.204 161 HA LYS 24 HA LYS 24 -7.360 -27.441 2.161 162 1HB LYS 24 1HB LYS 24 -8.965 -25.798 0.312 163 2HB LYS 24 2HB LYS 24 -8.042 -27.079 -0.472 164 1HG LYS 24 1HG LYS 24 -9.609 -27.682 2.022 165 2HG LYS 24 2HG LYS 24 -10.436 -27.612 0.466 166 1HD LYS 24 1HD LYS 24 -9.681 -29.669 -0.043 167 2HD LYS 24 2HD LYS 24 -8.016 -29.117 0.145 168 1HE LYS 24 1HE LYS 24 -8.656 -29.346 2.749 169 2HE LYS 24 2HE LYS 24 -9.761 -30.565 2.087 170 1HZ LYS 24 1HZ LYS 24 -7.747 -31.278 0.703 171 2HZ LYS 24 2HZ LYS 24 -6.816 -30.395 1.817 172 3HZ LYS 24 3HZ LYS 24 -7.754 -31.710 2.343 173 H PHE 25 H PHE 25 -6.183 -24.462 0.699 174 HA PHE 25 HA PHE 25 -4.172 -25.723 -0.981 175 1HB PHE 25 1HB PHE 25 -5.152 -23.068 -0.247 176 2HB PHE 25 2HB PHE 25 -3.398 -23.099 -0.431 177 HD1 PHE 25 HD1 PHE 25 -2.496 -24.378 -2.554 178 HD2 PHE 25 HD2 PHE 25 -6.494 -22.859 -2.149 179 HE1 PHE 25 HE1 PHE 25 -2.757 -24.406 -5.020 180 HE2 PHE 25 HE2 PHE 25 -6.754 -22.888 -4.616 181 HZ PHE 25 HZ PHE 25 -4.885 -23.661 -6.051 182 H ALA 26 H ALA 26 -4.330 -24.673 2.368 183 HA ALA 26 HA ALA 26 -1.390 -25.034 2.696 184 1HB ALA 26 3HB ALA 26 -1.643 -23.652 4.536 185 2HB ALA 26 2HB ALA 26 -3.235 -24.300 4.930 186 3HB ALA 26 1HB ALA 26 -3.057 -23.139 3.615 187 H GLY 27 H GLY 27 -4.475 -26.506 3.507 188 1HA GLY 27 1HA GLY 27 -4.338 -28.998 3.858 189 2HA GLY 27 2HA GLY 27 -2.986 -28.671 4.941 190 H ILE 28 H ILE 28 -5.872 -26.646 4.844 191 HA ILE 28 HA ILE 28 -6.593 -27.707 7.555 192 HB ILE 28 HB ILE 28 -6.632 -24.912 6.385 193 1HG1 ILE 28 1HG1 ILE 28 -5.274 -25.585 8.936 194 2HG1 ILE 28 2HG1 ILE 28 -4.542 -26.237 7.470 195 1HG2 ILE 28 1HG2 ILE 28 -8.051 -26.103 8.695 196 2HG2 ILE 28 2HG2 ILE 28 -7.193 -24.600 9.033 197 3HG2 ILE 28 3HG2 ILE 28 -8.426 -24.647 7.773 198 1HD1 ILE 28 1HD1 ILE 28 -5.315 -23.325 7.796 199 2HD1 ILE 28 2HD1 ILE 28 -3.697 -23.944 8.132 200 3HD1 ILE 28 3HD1 ILE 28 -4.357 -24.037 6.498 201 HA PRO 29 HA PRO 29 -10.375 -28.561 5.265 202 1HB PRO 29 1HB PRO 29 -11.724 -29.712 7.356 203 2HB PRO 29 2HB PRO 29 -10.508 -30.574 6.395 204 1HG PRO 29 2HG PRO 29 -9.591 -30.805 8.505 205 2HG PRO 29 1HG PRO 29 -10.239 -29.254 9.062 206 1HD PRO 29 1HD PRO 29 -8.084 -28.559 8.661 207 2HD PRO 29 2HD PRO 29 -7.802 -29.817 7.439 208 HA PRO 30 HA PRO 30 -13.076 -25.295 6.468 209 1HB PRO 30 1HB PRO 30 -15.583 -26.380 6.335 210 2HB PRO 30 2HB PRO 30 -14.617 -26.003 4.895 211 1HG PRO 30 2HG PRO 30 -15.005 -28.255 4.548 212 2HG PRO 30 1HG PRO 30 -15.025 -28.612 6.281 213 1HD PRO 30 1HD PRO 30 -12.886 -29.342 5.843 214 2HD PRO 30 2HD PRO 30 -12.698 -28.258 4.448 215 H GLY 31 H GLY 31 -15.426 -25.249 7.910 216 1HA GLY 31 1HA GLY 31 -16.115 -25.091 10.159 217 2HA GLY 31 2HA GLY 31 -15.725 -26.810 10.201 218 H THR 32 H THR 32 -13.464 -24.100 9.721 219 HA THR 32 HA THR 32 -12.302 -24.638 12.419 220 HB THR 32 HB THR 32 -10.803 -24.619 9.781 221 HG1 THR 32 HG1 THR 32 -10.767 -26.764 9.968 222 1HG2 THR 32 1HG2 THR 32 -9.739 -23.816 12.066 223 2HG2 THR 32 2HG2 THR 32 -9.668 -25.548 12.391 224 3HG2 THR 32 3HG2 THR 32 -8.839 -24.881 10.985 225 HA PRO 33 HA PRO 33 -12.325 -20.155 11.914 226 1HB PRO 33 1HB PRO 33 -11.795 -19.568 14.533 227 2HB PRO 33 2HB PRO 33 -13.414 -19.997 13.947 228 1HG PRO 33 1HG PRO 33 -11.414 -21.654 15.393 229 2HG PRO 33 2HG PRO 33 -13.177 -21.639 15.531 230 1HD PRO 33 1HD PRO 33 -11.745 -23.531 14.142 231 2HD PRO 33 2HD PRO 33 -13.440 -23.120 13.813 232 H PHE 34 H PHE 34 -10.637 -18.558 11.929 233 HA PHE 34 HA PHE 34 -7.980 -19.496 11.486 234 1HB PHE 34 1HB PHE 34 -8.799 -17.449 10.523 235 2HB PHE 34 2HB PHE 34 -9.209 -16.795 12.101 236 HD1 PHE 34 HD1 PHE 34 -6.477 -17.543 9.749 237 HD2 PHE 34 HD2 PHE 34 -7.483 -15.939 13.603 238 HE1 PHE 34 HE1 PHE 34 -4.211 -16.552 9.927 239 HE2 PHE 34 HE2 PHE 34 -5.218 -14.946 13.782 240 HZ PHE 34 HZ PHE 34 -3.582 -15.253 11.943 241 H VAL 35 H VAL 35 -9.620 -18.421 14.407 242 HA VAL 35 HA VAL 35 -7.288 -17.923 16.016 243 HB VAL 35 HB VAL 35 -8.964 -18.120 17.852 244 1HG1 VAL 35 1HG1 VAL 35 -9.030 -16.374 15.582 245 2HG1 VAL 35 2HG1 VAL 35 -10.689 -16.668 16.104 246 3HG1 VAL 35 3HG1 VAL 35 -9.507 -16.023 17.243 247 1HG2 VAL 35 1HG2 VAL 35 -10.255 -19.778 15.884 248 2HG2 VAL 35 2HG2 VAL 35 -10.696 -19.530 17.573 249 3HG2 VAL 35 3HG2 VAL 35 -11.333 -18.455 16.329 250 H ASP 36 H ASP 36 -8.536 -20.858 14.769 251 HA ASP 36 HA ASP 36 -7.278 -22.431 16.987 252 1HB ASP 36 1HB ASP 36 -9.731 -22.581 15.578 253 2HB ASP 36 2HB ASP 36 -8.783 -23.982 15.080 254 H LEU 37 H LEU 37 -6.497 -21.275 13.949 255 HA LEU 37 HA LEU 37 -5.487 -23.421 12.458 256 1HB LEU 37 1HB LEU 37 -4.609 -20.581 12.958 257 2HB LEU 37 2HB LEU 37 -3.701 -21.613 11.852 258 HG LEU 37 HG LEU 37 -6.677 -21.049 11.664 259 1HD1 LEU 37 1HD1 LEU 37 -5.150 -19.111 11.134 260 2HD1 LEU 37 2HD1 LEU 37 -4.432 -20.100 9.864 261 3HD1 LEU 37 3HD1 LEU 37 -6.135 -19.647 9.774 262 1HD2 LEU 37 1HD2 LEU 37 -4.912 -23.029 10.460 263 2HD2 LEU 37 2HD2 LEU 37 -6.671 -22.916 10.396 264 3HD2 LEU 37 3HD2 LEU 37 -5.687 -22.023 9.237 265 H SER 38 H SER 38 -3.176 -24.162 12.295 266 HA SER 38 HA SER 38 -2.162 -25.338 14.622 267 1HB SER 38 1HB SER 38 -1.036 -24.489 11.972 268 2HB SER 38 2HB SER 38 0.056 -25.155 13.186 269 HG SER 38 HG SER 38 -0.958 -27.046 13.103 270 H ASP 39 H ASP 39 -0.283 -24.776 15.955 271 HA ASP 39 HA ASP 39 -0.289 -22.105 16.964 272 1HB ASP 39 1HB ASP 39 1.518 -24.510 17.171 273 2HB ASP 39 2HB ASP 39 1.932 -23.006 17.992 274 H SER 40 H SER 40 1.266 -23.447 14.185 275 HA SER 40 HA SER 40 2.778 -20.896 13.830 276 1HB SER 40 1HB SER 40 3.846 -23.435 14.516 277 2HB SER 40 2HB SER 40 4.271 -23.148 12.829 278 HG SER 40 HG SER 40 5.613 -21.678 13.446 279 H PHE 41 H PHE 41 0.392 -21.342 12.523 280 HA PHE 41 HA PHE 41 0.636 -22.756 10.017 281 1HB PHE 41 1HB PHE 41 -1.532 -22.325 10.908 282 2HB PHE 41 2HB PHE 41 -1.187 -20.624 11.157 283 HD1 PHE 41 HD1 PHE 41 -1.948 -23.215 8.616 284 HD2 PHE 41 HD2 PHE 41 -1.341 -19.023 9.350 285 HE1 PHE 41 HE1 PHE 41 -2.853 -22.689 6.369 286 HE2 PHE 41 HE2 PHE 41 -2.244 -18.501 7.101 287 HZ PHE 41 HZ PHE 41 -3.000 -20.332 5.611 288 H MET 42 H MET 42 1.250 -21.965 7.985 289 HA MET 42 HA MET 42 2.368 -19.180 7.926 290 1HB MET 42 2HB MET 42 4.083 -20.059 6.442 291 2HB MET 42 1HB MET 42 3.267 -21.619 6.354 292 1HG MET 42 1HG MET 42 3.968 -20.618 9.072 293 2HG MET 42 2HG MET 42 3.995 -22.264 8.441 294 1HE MET 42 1HE MET 42 5.747 -22.696 9.690 295 2HE MET 42 2HE MET 42 7.384 -22.723 9.039 296 3HE MET 42 3HE MET 42 6.901 -21.430 10.135 297 H CYS 43 H CYS 43 1.998 -18.007 5.957 298 HA CYS 43 HA CYS 43 -0.501 -18.368 4.672 299 1HB CYS 43 1HB CYS 43 1.138 -16.362 4.829 300 2HB CYS 43 2HB CYS 43 1.907 -17.070 3.409 301 HA PRO 44 HA PRO 44 0.592 -21.645 1.861 302 1HB PRO 44 1HB PRO 44 -1.647 -21.550 0.292 303 2HB PRO 44 2HB PRO 44 -1.631 -22.278 1.908 304 1HG PRO 44 1HG PRO 44 -2.618 -19.607 1.036 305 2HG PRO 44 2HG PRO 44 -3.290 -20.722 2.234 306 1HD PRO 44 1HD PRO 44 -1.818 -18.496 2.863 307 2HD PRO 44 2HD PRO 44 -1.940 -19.931 3.904 308 H ALA 45 H ALA 45 0.419 -18.338 1.168 309 HA ALA 45 HA ALA 45 1.287 -18.797 -1.660 310 1HB ALA 45 1HB ALA 45 -0.924 -17.661 -1.283 311 2HB ALA 45 2HB ALA 45 -0.060 -16.369 -0.448 312 3HB ALA 45 3HB ALA 45 0.237 -16.666 -2.161 313 H CYS 46 H CYS 46 1.639 -16.502 1.076 314 HA CYS 46 HA CYS 46 4.335 -15.824 -0.002 315 1HB CYS 46 2HB CYS 46 2.297 -14.195 0.532 316 2HB CYS 46 1HB CYS 46 3.961 -13.684 0.772 317 H ARG 47 H ARG 47 3.168 -17.991 2.129 318 HA ARG 47 HA ARG 47 4.118 -19.168 3.938 319 1HB ARG 47 1HB ARG 47 5.955 -18.971 2.141 320 2HB ARG 47 2HB ARG 47 6.655 -17.723 3.170 321 1HG ARG 47 1HG ARG 47 6.836 -19.286 5.025 322 2HG ARG 47 2HG ARG 47 5.991 -20.530 4.105 323 1HD ARG 47 1HD ARG 47 8.502 -19.298 2.979 324 2HD ARG 47 2HD ARG 47 8.611 -20.600 4.178 325 HE ARG 47 HE ARG 47 7.073 -20.851 1.612 326 1HH1 ARG 47 1HH1 ARG 47 7.904 -22.385 4.493 327 2HH1 ARG 47 2HH1 ARG 47 8.403 -23.872 3.757 328 1HH2 ARG 47 1HH2 ARG 47 8.172 -22.654 0.518 329 2HH2 ARG 47 2HH2 ARG 47 8.553 -24.025 1.507 330 H SER 48 H SER 48 3.289 -16.150 4.322 331 HA SER 48 HA SER 48 5.044 -15.120 6.385 332 1HB SER 48 1HB SER 48 3.680 -13.534 5.324 333 2HB SER 48 2HB SER 48 2.265 -14.587 5.360 334 HG SER 48 HG SER 48 2.924 -12.713 7.082 335 HA PRO 49 HA PRO 49 3.638 -17.512 9.807 336 1HB PRO 49 1HB PRO 49 3.863 -15.704 11.853 337 2HB PRO 49 2HB PRO 49 5.262 -16.488 11.095 338 1HG PRO 49 2HG PRO 49 5.826 -14.282 10.742 339 2HG PRO 49 1HG PRO 49 4.137 -13.761 10.649 340 1HD PRO 49 1HD PRO 49 4.543 -13.778 8.392 341 2HD PRO 49 2HD PRO 49 5.874 -14.945 8.544 342 H LYS 50 H LYS 50 1.662 -17.935 10.836 343 HA LYS 50 HA LYS 50 -0.720 -16.684 10.030 344 1HB LYS 50 1HB LYS 50 -0.367 -18.918 11.167 345 2HB LYS 50 2HB LYS 50 -0.166 -18.044 12.687 346 1HG LYS 50 1HG LYS 50 -2.477 -16.945 11.952 347 2HG LYS 50 2HG LYS 50 -2.630 -18.448 11.042 348 1HD LYS 50 1HD LYS 50 -2.680 -19.761 12.957 349 2HD LYS 50 2HD LYS 50 -1.764 -18.592 13.908 350 1HE LYS 50 1HE LYS 50 -3.806 -17.053 13.735 351 2HE LYS 50 2HE LYS 50 -4.687 -18.463 13.119 352 1HZ LYS 50 1HZ LYS 50 -3.792 -19.694 15.091 353 2HZ LYS 50 2HZ LYS 50 -3.253 -18.206 15.709 354 3HZ LYS 50 3HZ LYS 50 -4.913 -18.480 15.473 355 H ASN 51 H ASN 51 1.526 -15.705 12.537 356 HA ASN 51 HA ASN 51 -0.267 -13.964 13.980 357 1HB ASN 51 1HB ASN 51 1.841 -14.773 14.906 358 2HB ASN 51 2HB ASN 51 2.744 -14.024 13.591 359 2HD2 ASN 51 2HD2 ASN 51 3.935 -12.651 15.130 360 1HD2 ASN 51 1HD2 ASN 51 3.179 -11.333 15.885 361 H GLN 52 H GLN 52 1.098 -13.767 10.851 362 HA GLN 52 HA GLN 52 1.088 -10.809 10.764 363 1HB GLN 52 1HB GLN 52 2.410 -12.954 9.473 364 2HB GLN 52 2HB GLN 52 1.424 -12.174 8.236 365 1HG GLN 52 1HG GLN 52 3.287 -10.685 10.109 366 2HG GLN 52 2HG GLN 52 3.722 -11.176 8.473 367 2HE2 GLN 52 2HE2 GLN 52 1.342 -10.628 7.072 368 1HE2 GLN 52 1HE2 GLN 52 1.015 -8.966 7.142 369 H PHE 53 H PHE 53 -1.266 -13.172 10.622 370 HA PHE 53 HA PHE 53 -2.770 -12.035 8.337 371 1HB PHE 53 1HB PHE 53 -3.111 -14.300 10.307 372 2HB PHE 53 2HB PHE 53 -4.408 -13.846 9.203 373 HD1 PHE 53 HD1 PHE 53 -0.768 -14.722 9.256 374 HD2 PHE 53 HD2 PHE 53 -4.428 -14.678 7.007 375 HE1 PHE 53 HE1 PHE 53 0.334 -15.997 7.438 376 HE2 PHE 53 HE2 PHE 53 -3.325 -15.954 5.188 377 HZ PHE 53 HZ PHE 53 -0.943 -16.613 5.405 378 H LYS 54 H LYS 54 -4.296 -10.452 8.598 379 HA LYS 54 HA LYS 54 -5.134 -9.723 11.378 380 1HB LYS 54 1HB LYS 54 -3.992 -8.009 10.031 381 2HB LYS 54 2HB LYS 54 -5.165 -8.227 8.733 382 1HG LYS 54 1HG LYS 54 -6.636 -6.849 9.740 383 2HG LYS 54 2HG LYS 54 -6.512 -7.743 11.255 384 1HD LYS 54 1HD LYS 54 -4.079 -6.307 10.945 385 2HD LYS 54 2HD LYS 54 -5.388 -5.180 10.592 386 1HE LYS 54 1HE LYS 54 -5.137 -5.031 12.951 387 2HE LYS 54 2HE LYS 54 -6.492 -6.160 12.755 388 1HZ LYS 54 1HZ LYS 54 -4.798 -7.973 12.711 389 2HZ LYS 54 2HZ LYS 54 -3.623 -6.831 13.158 390 3HZ LYS 54 3HZ LYS 54 -4.910 -7.177 14.207 391 H SER 55 H SER 55 -7.307 -9.964 11.927 392 HA SER 55 HA SER 55 -9.081 -11.474 10.265 393 1HB SER 55 2HB SER 55 -9.179 -11.338 12.722 394 2HB SER 55 1HB SER 55 -10.724 -10.909 12.012 395 HG SER 55 HG SER 55 -9.330 -9.480 13.669 396 H ILE 56 H ILE 56 -11.415 -10.504 9.957 397 HA ILE 56 HA ILE 56 -11.495 -7.695 9.074 398 HB ILE 56 HB ILE 56 -10.327 -8.784 7.226 399 1HG1 ILE 56 1HG1 ILE 56 -13.185 -8.533 6.298 400 2HG1 ILE 56 2HG1 ILE 56 -12.286 -7.119 6.845 401 1HG2 ILE 56 1HG2 ILE 56 -12.151 -10.928 7.880 402 2HG2 ILE 56 2HG2 ILE 56 -12.274 -10.534 6.166 403 3HG2 ILE 56 3HG2 ILE 56 -10.713 -10.972 6.860 404 1HD1 ILE 56 1HD1 ILE 56 -11.142 -9.005 4.783 405 2HD1 ILE 56 2HD1 ILE 56 -12.204 -7.676 4.320 406 3HD1 ILE 56 3HD1 ILE 56 -10.672 -7.341 5.126 407 H LYS 57 H LYS 57 -13.343 -7.602 10.501 408 HA LYS 57 HA LYS 57 -15.748 -9.077 9.479 409 1HB LYS 57 1HB LYS 57 -16.466 -9.088 11.885 410 2HB LYS 57 2HB LYS 57 -14.980 -9.993 11.602 411 1HG LYS 57 1HG LYS 57 -13.713 -8.530 12.805 412 2HG LYS 57 2HG LYS 57 -14.587 -7.125 12.196 413 1HD LYS 57 1HD LYS 57 -15.389 -7.063 14.341 414 2HD LYS 57 2HD LYS 57 -16.532 -8.245 13.705 415 1HE LYS 57 2HE LYS 57 -14.134 -9.636 14.454 416 2HE LYS 57 1HE LYS 57 -15.745 -9.771 15.184 417 1HZ LYS 57 1HZ LYS 57 -15.245 -7.665 16.380 418 2HZ LYS 57 2HZ LYS 57 -14.244 -8.952 16.845 419 3HZ LYS 57 3HZ LYS 57 -13.650 -7.750 15.802 420 H LYS 58 H LYS 58 -15.906 -6.971 8.172 421 HA LYS 58 HA LYS 58 -16.656 -4.556 9.691 422 1HB LYS 58 1HB LYS 58 -15.315 -4.470 7.619 423 2HB LYS 58 2HB LYS 58 -16.634 -5.235 6.731 424 1HG LYS 58 1HG LYS 58 -17.744 -3.020 8.128 425 2HG LYS 58 2HG LYS 58 -16.269 -2.451 7.348 426 1HD LYS 58 1HD LYS 58 -17.230 -3.831 5.291 427 2HD LYS 58 2HD LYS 58 -18.765 -3.554 6.114 428 1HE LYS 58 1HE LYS 58 -18.768 -1.333 5.581 429 2HE LYS 58 2HE LYS 58 -17.040 -1.159 5.946 430 1HZ LYS 58 1HZ LYS 58 -18.114 -2.573 3.559 431 2HZ LYS 58 2HZ LYS 58 -17.570 -0.963 3.538 432 3HZ LYS 58 3HZ LYS 58 -16.487 -2.225 3.888 433 H VAL 59 H VAL 59 -18.774 -3.780 9.884 434 HA VAL 59 HA VAL 59 -20.972 -5.240 8.500 435 HB VAL 59 HB VAL 59 -20.527 -6.387 10.644 436 1HG1 VAL 59 1HG1 VAL 59 -19.975 -3.779 11.530 437 2HG1 VAL 59 2HG1 VAL 59 -21.440 -4.253 12.390 438 3HG1 VAL 59 3HG1 VAL 59 -19.985 -5.243 12.512 439 1HG2 VAL 59 1HG2 VAL 59 -22.994 -5.251 9.806 440 2HG2 VAL 59 2HG2 VAL 59 -22.753 -6.694 10.789 441 3HG2 VAL 59 3HG2 VAL 59 -22.940 -5.121 11.564 442 H ILE 60 H ILE 60 -22.614 -3.827 7.945 443 HA ILE 60 HA ILE 60 -22.729 -1.178 9.338 444 HB ILE 60 HB ILE 60 -21.451 -0.964 7.257 445 1HG1 ILE 60 1HG1 ILE 60 -22.875 0.688 6.097 446 2HG1 ILE 60 2HG1 ILE 60 -24.289 0.067 6.950 447 1HG2 ILE 60 1HG2 ILE 60 -23.458 -2.848 6.338 448 2HG2 ILE 60 2HG2 ILE 60 -23.351 -1.466 5.249 449 3HG2 ILE 60 3HG2 ILE 60 -21.913 -2.424 5.602 450 1HD1 ILE 60 1HD1 ILE 60 -22.042 0.755 8.724 451 2HD1 ILE 60 2HD1 ILE 60 -22.698 2.135 7.840 452 3HD1 ILE 60 3HD1 ILE 60 -23.752 1.162 8.867 453 H ALA 61 H ALA 61 -24.849 -0.322 9.493 454 HA ALA 61 HA ALA 61 -27.207 -0.420 9.599 455 1HB ALA 61 2HB ALA 61 -27.403 -2.097 7.186 456 2HB ALA 61 3HB ALA 61 -28.022 -0.471 7.472 457 3HB ALA 61 1HB ALA 61 -26.341 -0.702 6.993 458 H GLY 62 H GLY 62 -28.999 -2.425 8.867 459 1HA GLY 62 1HA GLY 62 -29.419 -4.812 9.170 460 2HA GLY 62 2HA GLY 62 -27.987 -4.895 10.196 461 H PHE 63 H PHE 63 -31.380 -4.047 10.078 462 HA PHE 63 HA PHE 63 -31.405 -4.004 13.065 463 1HB PHE 63 1HB PHE 63 -31.951 -1.836 11.164 464 2HB PHE 63 2HB PHE 63 -33.270 -2.093 12.306 465 HD1 PHE 63 HD1 PHE 63 -32.441 -2.546 14.819 466 HD2 PHE 63 HD2 PHE 63 -30.225 -0.415 11.819 467 HE1 PHE 63 HE1 PHE 63 -31.127 -1.415 16.593 468 HE2 PHE 63 HE2 PHE 63 -28.912 0.717 13.593 469 HZ PHE 63 HZ PHE 63 -29.364 0.216 15.981 470 H ALA 64 H ALA 64 -33.963 -3.825 13.661 471 HA ALA 64 HA ALA 64 -35.636 -5.367 11.765 472 1HB ALA 64 3HB ALA 64 -35.564 -7.336 12.933 473 2HB ALA 64 1HB ALA 64 -34.022 -6.705 13.511 474 3HB ALA 64 2HB ALA 64 -35.475 -6.517 14.493 475 H GLU 65 H GLU 65 -35.894 -2.699 12.848 476 HA GLU 65 HA GLU 65 -37.686 -2.645 15.119 477 1HB GLU 65 1HB GLU 65 -36.368 -0.859 13.280 478 2HB GLU 65 2HB GLU 65 -38.061 -0.388 13.432 479 1HG GLU 65 1HG GLU 65 -37.322 -0.973 16.046 480 2HG GLU 65 2HG GLU 65 -35.891 -0.180 15.386 481 H ASN 66 H ASN 66 -39.888 -2.983 15.142 482 HA ASN 66 HA ASN 66 -41.262 -3.298 12.494 483 1HB ASN 66 1HB ASN 66 -41.222 -4.770 15.061 484 2HB ASN 66 2HB ASN 66 -42.819 -4.583 14.338 485 2HD2 ASN 66 2HD2 ASN 66 -42.181 -7.141 14.259 486 1HD2 ASN 66 1HD2 ASN 66 -41.534 -7.639 12.772 487 H GLN 67 H GLN 67 -41.103 -0.692 13.435 488 HA GLN 67 HA GLN 67 -43.378 -0.004 15.131 489 1HB GLN 67 1HB GLN 67 -41.020 1.168 14.334 490 2HB GLN 67 2HB GLN 67 -42.202 2.041 13.359 491 1HG GLN 67 1HG GLN 67 -43.538 2.245 15.590 492 2HG GLN 67 2HG GLN 67 -42.000 1.855 16.359 493 2HE2 GLN 67 2HE2 GLN 67 -42.458 4.247 17.156 494 1HE2 GLN 67 1HE2 GLN 67 -41.806 5.481 16.189 495 H LYS 68 H LYS 68 -45.097 1.541 14.240 496 HA LYS 68 HA LYS 68 -46.212 0.397 11.749 497 1HB LYS 68 1HB LYS 68 -47.166 1.392 14.215 498 2HB LYS 68 2HB LYS 68 -47.739 2.523 12.989 499 1HG LYS 68 1HG LYS 68 -49.422 0.979 12.784 500 2HG LYS 68 2HG LYS 68 -48.255 0.189 11.724 501 1HD LYS 68 1HD LYS 68 -47.696 -0.522 14.460 502 2HD LYS 68 2HD LYS 68 -49.394 -0.842 14.107 503 1HE LYS 68 1HE LYS 68 -48.442 -1.912 11.890 504 2HE LYS 68 2HE LYS 68 -46.941 -2.026 12.829 505 1HZ LYS 68 1HZ LYS 68 -48.192 -3.082 14.618 506 2HZ LYS 68 2HZ LYS 68 -49.620 -2.991 13.701 507 3HZ LYS 68 3HZ LYS 68 -48.342 -3.979 13.183 508 H TYR 69 H TYR 69 -46.157 3.763 12.958 509 HA TYR 69 HA TYR 69 -45.926 4.764 10.191 510 1HB TYR 69 1HB TYR 69 -47.142 5.566 12.556 511 2HB TYR 69 2HB TYR 69 -45.775 6.671 12.413 512 HD1 TYR 69 HD1 TYR 69 -45.457 7.961 10.250 513 HD2 TYR 69 HD2 TYR 69 -49.045 5.779 11.150 514 HE1 TYR 69 HE1 TYR 69 -46.675 9.249 8.515 515 HE2 TYR 69 HE2 TYR 69 -50.263 7.066 9.413 516 HH TYR 69 HH TYR 69 -50.132 9.072 8.185 517 H GLY 70 H GLY 70 -43.786 4.450 9.477 518 1HA GLY 70 1HA GLY 70 -41.496 4.939 11.201 519 2HA GLY 70 2HA GLY 70 -41.434 4.642 9.464 No H/Q in entry = 519 Start of MODEL 8 1 H1 MET 1 1H MET 1 -15.850 -5.779 -0.089 2 H2 MET 1 2H MET 1 -16.655 -6.084 -1.550 3 H3 MET 1 3H MET 1 -17.280 -4.941 -0.461 4 HA MET 1 HA MET 1 -18.629 -6.807 -0.118 5 1HB MET 1 1HB MET 1 -17.151 -8.207 -1.542 6 2HB MET 1 2HB MET 1 -16.014 -8.348 -0.202 7 1HG MET 1 1HG MET 1 -17.311 -9.864 0.899 8 2HG MET 1 2HG MET 1 -18.809 -9.042 0.464 9 1HE MET 1 1HE MET 1 -19.439 -8.669 -1.738 10 2HE MET 1 2HE MET 1 -18.782 -9.418 -3.190 11 3HE MET 1 3HE MET 1 -20.178 -10.136 -2.392 12 H GLU 2 H GLU 2 -19.231 -7.466 1.992 13 HA GLU 2 HA GLU 2 -17.565 -6.392 4.183 14 1HB GLU 2 1HB GLU 2 -19.624 -6.885 5.490 15 2HB GLU 2 2HB GLU 2 -19.986 -5.957 4.035 16 1HG GLU 2 2HG GLU 2 -20.066 -8.675 3.265 17 2HG GLU 2 1HG GLU 2 -21.432 -7.573 3.428 18 H ILE 3 H ILE 3 -17.109 -7.752 6.110 19 HA ILE 3 HA ILE 3 -17.030 -10.694 5.545 20 HB ILE 3 HB ILE 3 -14.764 -9.018 6.668 21 1HG1 ILE 3 1HG1 ILE 3 -13.850 -9.925 4.282 22 2HG1 ILE 3 2HG1 ILE 3 -15.555 -9.707 3.890 23 1HG2 ILE 3 1HG2 ILE 3 -15.022 -11.910 5.815 24 2HG2 ILE 3 2HG2 ILE 3 -13.470 -11.121 6.090 25 3HG2 ILE 3 3HG2 ILE 3 -14.618 -11.296 7.418 26 1HD1 ILE 3 1HD1 ILE 3 -14.466 -7.478 5.445 27 2HD1 ILE 3 2HD1 ILE 3 -13.629 -7.704 3.908 28 3HD1 ILE 3 3HD1 ILE 3 -15.374 -7.451 3.933 29 H ASP 4 H ASP 4 -16.534 -11.928 7.620 30 HA ASP 4 HA ASP 4 -16.628 -10.847 10.238 31 1HB ASP 4 1HB ASP 4 -19.066 -10.520 8.805 32 2HB ASP 4 2HB ASP 4 -19.352 -11.768 10.015 33 H GLU 5 H GLU 5 -17.527 -13.462 8.078 34 HA GLU 5 HA GLU 5 -17.966 -15.481 10.092 35 1HB GLU 5 1HB GLU 5 -18.133 -15.149 7.298 36 2HB GLU 5 2HB GLU 5 -17.003 -16.477 7.548 37 1HG GLU 5 1HG GLU 5 -18.626 -17.860 8.333 38 2HG GLU 5 2HG GLU 5 -19.370 -16.583 9.295 39 H GLY 6 H GLY 6 -15.814 -14.565 11.234 40 1HA GLY 6 1HA GLY 6 -13.577 -14.957 11.840 41 2HA GLY 6 2HA GLY 6 -13.931 -16.618 11.392 42 H LYS 7 H LYS 7 -14.146 -14.115 8.952 43 HA LYS 7 HA LYS 7 -12.067 -15.448 7.375 44 1HB LYS 7 1HB LYS 7 -14.244 -13.590 7.031 45 2HB LYS 7 2HB LYS 7 -12.787 -12.917 6.299 46 1HG LYS 7 1HG LYS 7 -12.711 -14.515 4.676 47 2HG LYS 7 2HG LYS 7 -13.222 -15.793 5.778 48 1HD LYS 7 1HD LYS 7 -15.254 -13.722 5.115 49 2HD LYS 7 2HD LYS 7 -14.816 -14.838 3.822 50 1HE LYS 7 1HE LYS 7 -15.376 -15.972 6.545 51 2HE LYS 7 2HE LYS 7 -16.744 -15.485 5.525 52 1HZ LYS 7 1HZ LYS 7 -15.539 -16.715 3.682 53 2HZ LYS 7 2HZ LYS 7 -14.568 -17.402 4.895 54 3HZ LYS 7 3HZ LYS 7 -16.245 -17.682 4.883 55 H TYR 8 H TYR 8 -9.942 -15.089 7.950 56 HA TYR 8 HA TYR 8 -9.182 -12.486 9.156 57 1HB TYR 8 1HB TYR 8 -8.026 -15.246 8.906 58 2HB TYR 8 2HB TYR 8 -6.950 -13.901 9.277 59 HD1 TYR 8 HD1 TYR 8 -10.490 -14.615 10.311 60 HD2 TYR 8 HD2 TYR 8 -6.426 -13.993 11.557 61 HE1 TYR 8 HE1 TYR 8 -11.211 -14.693 12.678 62 HE2 TYR 8 HE2 TYR 8 -7.145 -14.078 13.929 63 HH TYR 8 HH TYR 8 -8.984 -13.943 15.298 64 H GLU 9 H GLU 9 -8.023 -10.959 8.045 65 HA GLU 9 HA GLU 9 -7.269 -11.568 5.225 66 1HB GLU 9 1HB GLU 9 -8.779 -9.695 5.618 67 2HB GLU 9 2HB GLU 9 -7.671 -9.008 6.806 68 1HG GLU 9 1HG GLU 9 -6.210 -8.239 5.198 69 2HG GLU 9 2HG GLU 9 -6.585 -9.550 4.080 70 H CYS 10 H CYS 10 -5.111 -11.667 4.659 71 HA CYS 10 HA CYS 10 -3.036 -11.523 6.693 72 1HB CYS 10 1HB CYS 10 -3.245 -12.934 4.507 73 2HB CYS 10 2HB CYS 10 -2.643 -11.490 3.713 74 H GLU 11 H GLU 11 -2.177 -9.592 7.394 75 HA GLU 11 HA GLU 11 -2.561 -7.106 5.920 76 1HB GLU 11 1HB GLU 11 -1.721 -8.043 8.501 77 2HB GLU 11 2HB GLU 11 -0.510 -6.917 7.890 78 1HG GLU 11 1HG GLU 11 -2.711 -5.539 7.220 79 2HG GLU 11 2HG GLU 11 -3.371 -6.437 8.587 80 H ALA 12 H ALA 12 -0.320 -9.683 5.701 81 HA ALA 12 HA ALA 12 1.964 -8.075 4.804 82 1HB ALA 12 3HB ALA 12 2.215 -10.151 6.089 83 2HB ALA 12 2HB ALA 12 2.955 -10.331 4.498 84 3HB ALA 12 1HB ALA 12 1.377 -11.051 4.824 85 H CYS 13 H CYS 13 -0.531 -10.151 3.242 86 HA CYS 13 HA CYS 13 0.501 -9.093 0.637 87 1HB CYS 13 2HB CYS 13 1.027 -11.505 1.266 88 2HB CYS 13 1HB CYS 13 0.261 -11.272 -0.299 89 H GLY 14 H GLY 14 -2.368 -10.120 2.453 90 1HA GLY 14 1HA GLY 14 -4.397 -8.699 2.149 91 2HA GLY 14 2HA GLY 14 -4.008 -8.640 0.431 92 H TYR 15 H TYR 15 -3.562 -11.632 2.106 93 HA TYR 15 HA TYR 15 -5.590 -12.939 0.431 94 1HB TYR 15 1HB TYR 15 -3.406 -13.955 0.787 95 2HB TYR 15 2HB TYR 15 -3.610 -13.868 2.536 96 HD1 TYR 15 HD1 TYR 15 -5.130 -15.379 3.708 97 HD2 TYR 15 HD2 TYR 15 -4.620 -15.609 -0.549 98 HE1 TYR 15 HE1 TYR 15 -6.241 -17.595 3.698 99 HE2 TYR 15 HE2 TYR 15 -5.731 -17.826 -0.563 100 HH TYR 15 HH TYR 15 -7.128 -19.188 0.718 101 H ILE 16 H ILE 16 -7.302 -14.295 1.416 102 HA ILE 16 HA ILE 16 -8.144 -13.299 4.120 103 HB ILE 16 HB ILE 16 -9.752 -13.960 1.638 104 1HG1 ILE 16 1HG1 ILE 16 -8.504 -11.805 1.624 105 2HG1 ILE 16 2HG1 ILE 16 -10.252 -11.571 1.621 106 1HG2 ILE 16 1HG2 ILE 16 -10.914 -14.602 3.746 107 2HG2 ILE 16 2HG2 ILE 16 -10.695 -12.957 4.341 108 3HG2 ILE 16 3HG2 ILE 16 -11.710 -13.257 2.932 109 1HD1 ILE 16 1HD1 ILE 16 -9.420 -11.742 4.342 110 2HD1 ILE 16 2HD1 ILE 16 -8.326 -10.623 3.527 111 3HD1 ILE 16 3HD1 ILE 16 -10.066 -10.337 3.495 112 H TYR 17 H TYR 17 -7.839 -15.008 5.493 113 HA TYR 17 HA TYR 17 -7.963 -17.787 4.630 114 1HB TYR 17 1HB TYR 17 -6.467 -17.113 6.403 115 2HB TYR 17 2HB TYR 17 -7.784 -16.367 7.306 116 HD1 TYR 17 HD1 TYR 17 -6.840 -19.687 5.821 117 HD2 TYR 17 HD2 TYR 17 -8.778 -17.588 9.032 118 HE1 TYR 17 HE1 TYR 17 -7.281 -21.843 6.964 119 HE2 TYR 17 HE2 TYR 17 -9.221 -19.746 10.174 120 HH TYR 17 HH TYR 17 -9.239 -22.575 8.811 121 H GLU 18 H GLU 18 -9.757 -19.074 4.592 122 HA GLU 18 HA GLU 18 -12.285 -18.016 5.796 123 1HB GLU 18 1HB GLU 18 -11.721 -20.031 3.597 124 2HB GLU 18 2HB GLU 18 -13.332 -19.547 4.124 125 1HG GLU 18 1HG GLU 18 -13.188 -17.488 3.119 126 2HG GLU 18 2HG GLU 18 -11.457 -17.349 3.423 127 HA PRO 19 HA PRO 19 -11.440 -21.427 8.622 128 1HB PRO 19 1HB PRO 19 -13.430 -20.815 10.401 129 2HB PRO 19 2HB PRO 19 -11.855 -20.020 10.381 130 1HG PRO 19 1HG PRO 19 -14.461 -19.053 9.357 131 2HG PRO 19 2HG PRO 19 -13.146 -18.156 10.124 132 1HD PRO 19 1HD PRO 19 -13.626 -18.198 7.414 133 2HD PRO 19 2HD PRO 19 -12.051 -17.839 8.151 134 H GLU 20 H GLU 20 -14.878 -20.580 8.347 135 HA GLU 20 HA GLU 20 -16.052 -23.079 8.575 136 1HB GLU 20 1HB GLU 20 -17.095 -20.781 8.255 137 2HB GLU 20 2HB GLU 20 -16.855 -21.005 6.521 138 1HG GLU 20 1HG GLU 20 -18.194 -23.082 6.608 139 2HG GLU 20 2HG GLU 20 -18.441 -22.848 8.338 140 H LYS 21 H LYS 21 -14.223 -21.877 5.817 141 HA LYS 21 HA LYS 21 -15.038 -24.218 4.171 142 1HB LYS 21 1HB LYS 21 -13.814 -21.537 3.764 143 2HB LYS 21 2HB LYS 21 -13.312 -22.800 2.643 144 1HG LYS 21 1HG LYS 21 -15.494 -23.123 1.831 145 2HG LYS 21 2HG LYS 21 -16.233 -22.388 3.256 146 1HD LYS 21 1HD LYS 21 -15.927 -20.249 2.476 147 2HD LYS 21 2HD LYS 21 -14.418 -20.652 1.658 148 1HE LYS 21 1HE LYS 21 -15.606 -21.681 -0.182 149 2HE LYS 21 2HE LYS 21 -17.150 -21.563 0.684 150 1HZ LYS 21 1HZ LYS 21 -15.431 -19.219 0.061 151 2HZ LYS 21 2HZ LYS 21 -16.713 -19.717 -0.935 152 3HZ LYS 21 3HZ LYS 21 -17.020 -19.201 0.655 153 H GLY 22 H GLY 22 -12.271 -22.904 5.912 154 1HA GLY 22 1HA GLY 22 -10.418 -24.170 6.716 155 2HA GLY 22 2HA GLY 22 -10.935 -25.519 5.707 156 H ASP 23 H ASP 23 -8.243 -24.410 5.923 157 HA ASP 23 HA ASP 23 -7.740 -22.929 3.433 158 1HB ASP 23 1HB ASP 23 -6.506 -23.350 5.945 159 2HB ASP 23 2HB ASP 23 -5.412 -24.038 4.747 160 H LYS 24 H LYS 24 -8.923 -25.043 2.457 161 HA LYS 24 HA LYS 24 -7.801 -27.553 2.142 162 1HB LYS 24 1HB LYS 24 -9.763 -26.060 0.967 163 2HB LYS 24 2HB LYS 24 -8.626 -26.223 -0.369 164 1HG LYS 24 1HG LYS 24 -8.886 -28.754 0.991 165 2HG LYS 24 2HG LYS 24 -10.483 -28.154 0.547 166 1HD LYS 24 1HD LYS 24 -9.631 -27.757 -1.777 167 2HD LYS 24 2HD LYS 24 -8.107 -28.508 -1.305 168 1HE LYS 24 1HE LYS 24 -8.985 -30.601 -1.483 169 2HE LYS 24 2HE LYS 24 -10.447 -30.139 -0.592 170 1HZ LYS 24 1HZ LYS 24 -9.887 -29.288 -3.383 171 2HZ LYS 24 2HZ LYS 24 -10.810 -30.663 -3.003 172 3HZ LYS 24 3HZ LYS 24 -11.342 -29.120 -2.528 173 H PHE 25 H PHE 25 -6.573 -24.531 0.825 174 HA PHE 25 HA PHE 25 -4.677 -25.789 -1.010 175 1HB PHE 25 1HB PHE 25 -5.722 -23.195 -0.349 176 2HB PHE 25 2HB PHE 25 -3.959 -23.115 -0.339 177 HD1 PHE 25 HD1 PHE 25 -6.465 -25.042 -2.370 178 HD2 PHE 25 HD2 PHE 25 -3.148 -22.314 -2.370 179 HE1 PHE 25 HE1 PHE 25 -6.451 -25.060 -4.850 180 HE2 PHE 25 HE2 PHE 25 -3.134 -22.331 -4.850 181 HZ PHE 25 HZ PHE 25 -4.785 -23.704 -6.090 182 H ALA 26 H ALA 26 -4.667 -24.812 2.355 183 HA ALA 26 HA ALA 26 -1.707 -25.080 2.531 184 1HB ALA 26 3HB ALA 26 -2.027 -23.473 4.087 185 2HB ALA 26 1HB ALA 26 -3.764 -23.556 3.792 186 3HB ALA 26 2HB ALA 26 -3.031 -24.576 5.028 187 H GLY 27 H GLY 27 -4.683 -26.718 3.419 188 1HA GLY 27 1HA GLY 27 -4.435 -29.213 3.677 189 2HA GLY 27 2HA GLY 27 -3.044 -28.869 4.704 190 H ILE 28 H ILE 28 -5.940 -26.889 4.869 191 HA ILE 28 HA ILE 28 -6.529 -28.103 7.548 192 HB ILE 28 HB ILE 28 -6.589 -25.262 6.494 193 1HG1 ILE 28 1HG1 ILE 28 -5.262 -25.950 9.041 194 2HG1 ILE 28 2HG1 ILE 28 -4.552 -26.709 7.615 195 1HG2 ILE 28 1HG2 ILE 28 -8.590 -25.697 7.909 196 2HG2 ILE 28 2HG2 ILE 28 -7.532 -26.267 9.199 197 3HG2 ILE 28 3HG2 ILE 28 -7.463 -24.582 8.682 198 1HD1 ILE 28 1HD1 ILE 28 -5.165 -23.747 7.800 199 2HD1 ILE 28 2HD1 ILE 28 -3.589 -24.440 8.180 200 3HD1 ILE 28 3HD1 ILE 28 -4.238 -24.570 6.546 201 HA PRO 29 HA PRO 29 -10.453 -28.872 5.524 202 1HB PRO 29 1HB PRO 29 -11.736 -29.942 7.697 203 2HB PRO 29 2HB PRO 29 -10.578 -30.853 6.709 204 1HG PRO 29 2HG PRO 29 -9.562 -31.058 8.765 205 2HG PRO 29 1HG PRO 29 -10.193 -29.508 9.343 206 1HD PRO 29 1HD PRO 29 -8.081 -28.768 8.857 207 2HD PRO 29 2HD PRO 29 -7.788 -30.075 7.692 208 HA PRO 30 HA PRO 30 -13.023 -25.519 6.769 209 1HB PRO 30 1HB PRO 30 -15.559 -26.538 6.750 210 2HB PRO 30 2HB PRO 30 -14.637 -26.220 5.268 211 1HG PRO 30 2HG PRO 30 -15.093 -28.468 4.985 212 2HG PRO 30 1HG PRO 30 -15.068 -28.785 6.726 213 1HD PRO 30 1HD PRO 30 -12.965 -29.584 6.245 214 2HD PRO 30 2HD PRO 30 -12.796 -28.553 4.808 215 H GLY 31 H GLY 31 -15.316 -25.385 8.300 216 1HA GLY 31 1HA GLY 31 -15.905 -25.158 10.572 217 2HA GLY 31 2HA GLY 31 -15.578 -26.889 10.630 218 H THR 32 H THR 32 -13.035 -24.627 9.818 219 HA THR 32 HA THR 32 -11.822 -25.098 12.523 220 HB THR 32 HB THR 32 -10.505 -24.934 9.793 221 HG1 THR 32 HG1 THR 32 -11.739 -26.840 10.193 222 1HG2 THR 32 1HG2 THR 32 -9.497 -25.061 12.588 223 2HG2 THR 32 2HG2 THR 32 -8.675 -26.076 11.403 224 3HG2 THR 32 3HG2 THR 32 -8.765 -24.332 11.159 225 HA PRO 33 HA PRO 33 -11.971 -20.586 12.218 226 1HB PRO 33 1HB PRO 33 -11.416 -20.116 14.853 227 2HB PRO 33 2HB PRO 33 -13.033 -20.543 14.267 228 1HG PRO 33 2HG PRO 33 -12.737 -22.248 15.780 229 2HG PRO 33 1HG PRO 33 -10.978 -22.247 15.587 230 1HD PRO 33 1HD PRO 33 -11.363 -24.071 14.269 231 2HD PRO 33 2HD PRO 33 -13.054 -23.618 13.977 232 H PHE 34 H PHE 34 -10.292 -19.015 12.139 233 HA PHE 34 HA PHE 34 -7.657 -19.828 11.607 234 1HB PHE 34 1HB PHE 34 -8.471 -17.686 10.922 235 2HB PHE 34 2HB PHE 34 -8.889 -17.232 12.567 236 HD1 PHE 34 HD1 PHE 34 -7.065 -16.790 14.240 237 HD2 PHE 34 HD2 PHE 34 -6.255 -17.387 10.064 238 HE1 PHE 34 HE1 PHE 34 -4.816 -15.788 14.533 239 HE2 PHE 34 HE2 PHE 34 -4.005 -16.384 10.358 240 HZ PHE 34 HZ PHE 34 -3.286 -15.585 12.592 241 H VAL 35 H VAL 35 -9.144 -19.057 14.715 242 HA VAL 35 HA VAL 35 -6.749 -18.779 16.263 243 HB VAL 35 HB VAL 35 -8.315 -19.157 18.136 244 1HG1 VAL 35 1HG1 VAL 35 -8.359 -17.094 16.415 245 2HG1 VAL 35 2HG1 VAL 35 -9.999 -17.690 16.161 246 3HG1 VAL 35 3HG1 VAL 35 -9.478 -17.204 17.775 247 1HG2 VAL 35 1HG2 VAL 35 -9.855 -20.457 15.948 248 2HG2 VAL 35 2HG2 VAL 35 -9.760 -20.877 17.658 249 3HG2 VAL 35 3HG2 VAL 35 -10.790 -19.545 17.134 250 H ASP 36 H ASP 36 -8.255 -21.578 14.871 251 HA ASP 36 HA ASP 36 -6.846 -23.408 16.754 252 1HB ASP 36 1HB ASP 36 -9.333 -23.494 15.864 253 2HB ASP 36 2HB ASP 36 -8.587 -24.266 14.464 254 H LEU 37 H LEU 37 -6.107 -21.827 13.901 255 HA LEU 37 HA LEU 37 -5.064 -23.764 12.151 256 1HB LEU 37 1HB LEU 37 -4.367 -20.943 12.926 257 2HB LEU 37 2HB LEU 37 -3.345 -21.794 11.769 258 HG LEU 37 HG LEU 37 -6.338 -21.353 11.518 259 1HD1 LEU 37 1HD1 LEU 37 -3.961 -20.204 10.022 260 2HD1 LEU 37 2HD1 LEU 37 -5.645 -19.976 9.549 261 3HD1 LEU 37 3HD1 LEU 37 -5.062 -19.319 11.078 262 1HD2 LEU 37 1HD2 LEU 37 -4.501 -23.233 10.258 263 2HD2 LEU 37 2HD2 LEU 37 -6.260 -23.159 10.165 264 3HD2 LEU 37 3HD2 LEU 37 -5.277 -22.184 9.071 265 H SER 38 H SER 38 -2.622 -24.171 11.840 266 HA SER 38 HA SER 38 -1.544 -25.614 14.029 267 1HB SER 38 1HB SER 38 0.073 -24.312 11.834 268 2HB SER 38 2HB SER 38 0.326 -25.887 12.586 269 HG SER 38 HG SER 38 -1.443 -26.675 11.544 270 H ASP 39 H ASP 39 0.566 -25.090 15.150 271 HA ASP 39 HA ASP 39 0.422 -22.599 16.570 272 1HB ASP 39 1HB ASP 39 1.393 -24.732 17.395 273 2HB ASP 39 2HB ASP 39 2.699 -24.579 16.221 274 H SER 40 H SER 40 1.966 -23.520 13.580 275 HA SER 40 HA SER 40 3.089 -20.758 13.356 276 1HB SER 40 2HB SER 40 5.209 -21.621 12.718 277 2HB SER 40 1HB SER 40 4.557 -23.237 12.444 278 HG SER 40 HG SER 40 4.969 -23.652 14.439 279 H PHE 41 H PHE 41 0.715 -21.374 12.164 280 HA PHE 41 HA PHE 41 0.854 -22.603 9.577 281 1HB PHE 41 1HB PHE 41 -1.262 -22.349 10.593 282 2HB PHE 41 2HB PHE 41 -0.966 -20.673 11.017 283 HD1 PHE 41 HD1 PHE 41 -1.205 -18.885 9.367 284 HD2 PHE 41 HD2 PHE 41 -1.955 -22.985 8.324 285 HE1 PHE 41 HE1 PHE 41 -2.331 -18.151 7.282 286 HE2 PHE 41 HE2 PHE 41 -3.079 -22.250 6.240 287 HZ PHE 41 HZ PHE 41 -3.268 -19.832 5.719 288 H MET 42 H MET 42 1.331 -21.722 7.561 289 HA MET 42 HA MET 42 2.359 -18.903 7.539 290 1HB MET 42 1HB MET 42 3.051 -21.201 5.680 291 2HB MET 42 2HB MET 42 3.890 -19.660 5.820 292 1HG MET 42 1HG MET 42 4.391 -20.256 8.231 293 2HG MET 42 2HG MET 42 3.762 -21.868 7.890 294 1HE MET 42 1HE MET 42 4.898 -23.442 7.744 295 2HE MET 42 2HE MET 42 6.209 -23.835 6.634 296 3HE MET 42 3HE MET 42 6.581 -23.201 8.234 297 H CYS 43 H CYS 43 1.683 -17.577 5.784 298 HA CYS 43 HA CYS 43 -0.939 -17.954 4.759 299 1HB CYS 43 1HB CYS 43 0.439 -15.845 5.018 300 2HB CYS 43 2HB CYS 43 1.314 -16.327 3.566 301 HA PRO 44 HA PRO 44 0.011 -20.702 1.388 302 1HB PRO 44 1HB PRO 44 -2.428 -20.646 0.162 303 2HB PRO 44 2HB PRO 44 -2.121 -21.552 1.655 304 1HG PRO 44 2HG PRO 44 -3.804 -20.228 2.448 305 2HG PRO 44 1HG PRO 44 -3.500 -18.958 1.256 306 1HD PRO 44 1HD PRO 44 -2.449 -17.848 2.929 307 2HD PRO 44 2HD PRO 44 -2.375 -19.301 3.948 308 H ALA 45 H ALA 45 -0.334 -17.394 1.186 309 HA ALA 45 HA ALA 45 -0.001 -17.425 -1.790 310 1HB ALA 45 2HB ALA 45 -1.219 -15.277 -0.031 311 2HB ALA 45 3HB ALA 45 -1.184 -15.292 -1.794 312 3HB ALA 45 1HB ALA 45 -2.152 -16.480 -0.921 313 H CYS 46 H CYS 46 0.982 -15.909 1.279 314 HA CYS 46 HA CYS 46 3.372 -14.854 -0.179 315 1HB CYS 46 1HB CYS 46 3.111 -12.792 0.864 316 2HB CYS 46 2HB CYS 46 1.439 -13.287 0.654 317 H ARG 47 H ARG 47 2.507 -17.169 1.952 318 HA ARG 47 HA ARG 47 3.712 -18.466 3.504 319 1HB ARG 47 1HB ARG 47 5.520 -17.244 1.612 320 2HB ARG 47 2HB ARG 47 6.324 -17.438 3.169 321 1HG ARG 47 1HG ARG 47 6.671 -19.484 1.964 322 2HG ARG 47 2HG ARG 47 5.448 -19.828 3.186 323 1HD ARG 47 1HD ARG 47 3.840 -19.028 1.152 324 2HD ARG 47 2HD ARG 47 5.182 -19.728 0.227 325 HE ARG 47 HE ARG 47 3.637 -21.189 2.339 326 1HH1 ARG 47 1HH1 ARG 47 5.803 -22.807 2.384 327 2HH1 ARG 47 2HH1 ARG 47 5.798 -23.750 0.930 328 1HH2 ARG 47 1HH2 ARG 47 3.598 -21.654 -0.738 329 2HH2 ARG 47 2HH2 ARG 47 4.549 -23.098 -0.836 330 H SER 48 H SER 48 2.896 -15.486 4.229 331 HA SER 48 HA SER 48 4.868 -14.649 6.189 332 1HB SER 48 1HB SER 48 2.927 -13.195 6.929 333 2HB SER 48 2HB SER 48 3.319 -13.065 5.216 334 HG SER 48 HG SER 48 1.296 -14.688 6.364 335 HA PRO 49 HA PRO 49 3.767 -17.234 9.570 336 1HB PRO 49 1HB PRO 49 3.926 -15.524 11.704 337 2HB PRO 49 2HB PRO 49 5.351 -16.150 10.854 338 1HG PRO 49 2HG PRO 49 5.718 -13.884 10.607 339 2HG PRO 49 1HG PRO 49 3.989 -13.506 10.595 340 1HD PRO 49 1HD PRO 49 4.320 -13.371 8.330 341 2HD PRO 49 2HD PRO 49 5.737 -14.442 8.375 342 H LYS 50 H LYS 50 1.908 -17.860 10.723 343 HA LYS 50 HA LYS 50 -0.620 -16.845 10.066 344 1HB LYS 50 1HB LYS 50 -0.021 -19.039 11.131 345 2HB LYS 50 2HB LYS 50 0.254 -18.182 12.648 346 1HG LYS 50 1HG LYS 50 -2.155 -17.286 12.349 347 2HG LYS 50 2HG LYS 50 -2.341 -18.576 11.160 348 1HD LYS 50 1HD LYS 50 -2.631 -20.085 12.806 349 2HD LYS 50 2HD LYS 50 -1.077 -19.646 13.511 350 1HE LYS 50 1HE LYS 50 -3.403 -17.804 13.961 351 2HE LYS 50 2HE LYS 50 -3.310 -19.301 14.907 352 1HZ LYS 50 1HZ LYS 50 -0.934 -18.708 15.342 353 2HZ LYS 50 2HZ LYS 50 -1.232 -17.189 14.650 354 3HZ LYS 50 3HZ LYS 50 -2.055 -17.654 16.062 355 H ASN 51 H ASN 51 1.577 -15.791 12.624 356 HA ASN 51 HA ASN 51 -0.317 -14.198 14.080 357 1HB ASN 51 1HB ASN 51 2.345 -14.951 14.268 358 2HB ASN 51 2HB ASN 51 2.451 -13.217 13.964 359 2HD2 ASN 51 2HD2 ASN 51 3.232 -13.122 16.303 360 1HD2 ASN 51 1HD2 ASN 51 2.071 -13.104 17.541 361 H GLN 52 H GLN 52 1.042 -13.809 10.951 362 HA GLN 52 HA GLN 52 0.869 -10.870 10.931 363 1HB GLN 52 1HB GLN 52 2.152 -12.916 9.473 364 2HB GLN 52 2HB GLN 52 1.016 -12.177 8.345 365 1HG GLN 52 1HG GLN 52 3.053 -10.685 10.027 366 2HG GLN 52 2HG GLN 52 3.197 -11.015 8.301 367 2HE2 GLN 52 2HE2 GLN 52 0.690 -10.429 7.306 368 1HE2 GLN 52 1HE2 GLN 52 0.283 -8.814 7.623 369 H PHE 53 H PHE 53 -1.360 -13.409 10.762 370 HA PHE 53 HA PHE 53 -3.147 -12.211 8.751 371 1HB PHE 53 1HB PHE 53 -3.095 -14.576 10.605 372 2HB PHE 53 2HB PHE 53 -4.633 -14.085 9.899 373 HD1 PHE 53 HD1 PHE 53 -1.127 -15.042 9.042 374 HD2 PHE 53 HD2 PHE 53 -5.169 -14.601 7.654 375 HE1 PHE 53 HE1 PHE 53 -0.524 -16.179 6.921 376 HE2 PHE 53 HE2 PHE 53 -4.564 -15.737 5.534 377 HZ PHE 53 HZ PHE 53 -2.243 -16.527 5.169 378 H LYS 54 H LYS 54 -5.214 -11.264 9.307 379 HA LYS 54 HA LYS 54 -5.651 -10.603 12.184 380 1HB LYS 54 1HB LYS 54 -4.294 -8.837 10.968 381 2HB LYS 54 2HB LYS 54 -5.692 -8.578 9.926 382 1HG LYS 54 1HG LYS 54 -7.034 -7.821 11.738 383 2HG LYS 54 2HG LYS 54 -5.899 -8.438 12.938 384 1HD LYS 54 1HD LYS 54 -4.856 -6.443 12.949 385 2HD LYS 54 2HD LYS 54 -4.459 -6.655 11.243 386 1HE LYS 54 2HE LYS 54 -6.816 -5.795 10.724 387 2HE LYS 54 1HE LYS 54 -5.720 -4.592 11.430 388 1HZ LYS 54 1HZ LYS 54 -6.572 -5.213 13.633 389 2HZ LYS 54 2HZ LYS 54 -7.812 -4.616 12.635 390 3HZ LYS 54 3HZ LYS 54 -7.670 -6.286 12.912 391 H SER 55 H SER 55 -7.814 -10.815 12.687 392 HA SER 55 HA SER 55 -9.730 -11.782 10.824 393 1HB SER 55 1HB SER 55 -11.330 -11.057 12.694 394 2HB SER 55 2HB SER 55 -10.042 -12.158 13.143 395 HG SER 55 HG SER 55 -9.051 -10.621 14.227 396 H ILE 56 H ILE 56 -11.865 -10.581 10.443 397 HA ILE 56 HA ILE 56 -11.701 -7.654 10.213 398 HB ILE 56 HB ILE 56 -10.355 -8.483 8.309 399 1HG1 ILE 56 1HG1 ILE 56 -12.830 -7.640 6.916 400 2HG1 ILE 56 2HG1 ILE 56 -12.295 -6.580 8.221 401 1HG2 ILE 56 1HG2 ILE 56 -12.386 -10.468 8.225 402 2HG2 ILE 56 2HG2 ILE 56 -12.466 -9.582 6.703 403 3HG2 ILE 56 3HG2 ILE 56 -10.955 -10.344 7.201 404 1HD1 ILE 56 1HD1 ILE 56 -9.924 -7.067 6.973 405 2HD1 ILE 56 2HD1 ILE 56 -11.029 -7.140 5.601 406 3HD1 ILE 56 3HD1 ILE 56 -10.957 -5.687 6.599 407 H LYS 57 H LYS 57 -13.646 -7.955 11.531 408 HA LYS 57 HA LYS 57 -16.006 -9.054 10.049 409 1HB LYS 57 1HB LYS 57 -16.970 -9.161 12.374 410 2HB LYS 57 2HB LYS 57 -15.505 -10.124 12.184 411 1HG LYS 57 1HG LYS 57 -14.243 -8.713 13.498 412 2HG LYS 57 2HG LYS 57 -15.169 -7.284 13.035 413 1HD LYS 57 1HD LYS 57 -16.764 -7.625 14.660 414 2HD LYS 57 2HD LYS 57 -16.604 -9.380 14.597 415 1HE LYS 57 1HE LYS 57 -14.122 -8.644 15.527 416 2HE LYS 57 2HE LYS 57 -15.169 -7.430 16.287 417 1HZ LYS 57 1HZ LYS 57 -16.705 -9.386 16.767 418 2HZ LYS 57 2HZ LYS 57 -15.375 -10.384 16.415 419 3HZ LYS 57 3HZ LYS 57 -15.289 -9.281 17.701 420 H LYS 58 H LYS 58 -15.730 -6.771 8.934 421 HA LYS 58 HA LYS 58 -17.578 -4.907 10.349 422 1HB LYS 58 1HB LYS 58 -14.729 -4.492 9.556 423 2HB LYS 58 2HB LYS 58 -15.831 -3.131 9.353 424 1HG LYS 58 1HG LYS 58 -16.308 -3.012 11.647 425 2HG LYS 58 2HG LYS 58 -15.804 -4.676 11.935 426 1HD LYS 58 1HD LYS 58 -13.656 -4.061 12.284 427 2HD LYS 58 2HD LYS 58 -13.641 -3.043 10.844 428 1HE LYS 58 2HE LYS 58 -15.063 -1.384 12.265 429 2HE LYS 58 1HE LYS 58 -13.338 -1.517 12.655 430 1HZ LYS 58 1HZ LYS 58 -13.892 -3.213 14.301 431 2HZ LYS 58 2HZ LYS 58 -14.693 -1.761 14.651 432 3HZ LYS 58 3HZ LYS 58 -15.544 -3.049 13.942 433 H VAL 59 H VAL 59 -19.154 -4.286 8.923 434 HA VAL 59 HA VAL 59 -19.057 -5.016 6.120 435 HB VAL 59 HB VAL 59 -21.231 -3.774 6.111 436 1HG1 VAL 59 1HG1 VAL 59 -20.589 -5.733 8.312 437 2HG1 VAL 59 2HG1 VAL 59 -22.228 -5.116 8.101 438 3HG1 VAL 59 3HG1 VAL 59 -21.451 -6.020 6.800 439 1HG2 VAL 59 1HG2 VAL 59 -20.234 -2.089 7.854 440 2HG2 VAL 59 2HG2 VAL 59 -21.949 -2.494 7.936 441 3HG2 VAL 59 3HG2 VAL 59 -20.808 -3.258 9.044 442 H ILE 60 H ILE 60 -18.914 -3.568 4.308 443 HA ILE 60 HA ILE 60 -17.870 -0.828 4.935 444 HB ILE 60 HB ILE 60 -16.274 -1.224 3.045 445 1HG1 ILE 60 1HG1 ILE 60 -16.925 -4.146 3.206 446 2HG1 ILE 60 2HG1 ILE 60 -17.912 -3.113 2.171 447 1HG2 ILE 60 1HG2 ILE 60 -16.257 -3.166 5.371 448 2HG2 ILE 60 2HG2 ILE 60 -14.887 -2.952 4.281 449 3HG2 ILE 60 3HG2 ILE 60 -15.444 -1.604 5.273 450 1HD1 ILE 60 1HD1 ILE 60 -15.814 -2.286 1.082 451 2HD1 ILE 60 2HD1 ILE 60 -14.900 -3.446 2.045 452 3HD1 ILE 60 3HD1 ILE 60 -16.070 -4.017 0.855 453 H ALA 61 H ALA 61 -20.491 -0.901 4.397 454 HA ALA 61 HA ALA 61 -20.761 -0.375 1.454 455 1HB ALA 61 2HB ALA 61 -23.038 -0.897 3.351 456 2HB ALA 61 3HB ALA 61 -22.934 -1.244 1.624 457 3HB ALA 61 1HB ALA 61 -22.052 -2.243 2.780 458 H GLY 62 H GLY 62 -21.129 0.926 4.675 459 1HA GLY 62 1HA GLY 62 -21.233 3.630 3.815 460 2HA GLY 62 2HA GLY 62 -22.887 3.100 4.118 461 H PHE 63 H PHE 63 -23.594 3.160 6.212 462 HA PHE 63 HA PHE 63 -21.690 2.900 8.456 463 1HB PHE 63 1HB PHE 63 -22.310 5.151 9.328 464 2HB PHE 63 2HB PHE 63 -21.499 5.254 7.764 465 HD1 PHE 63 HD1 PHE 63 -22.809 5.676 5.694 466 HD2 PHE 63 HD2 PHE 63 -24.630 5.750 9.584 467 HE1 PHE 63 HE1 PHE 63 -24.782 6.843 4.747 468 HE2 PHE 63 HE2 PHE 63 -26.604 6.917 8.637 469 HZ PHE 63 HZ PHE 63 -26.680 7.463 6.219 470 H ALA 64 H ALA 64 -24.087 1.451 7.510 471 HA ALA 64 HA ALA 64 -26.094 0.562 8.394 472 1HB ALA 64 2HB ALA 64 -24.951 1.669 10.973 473 2HB ALA 64 1HB ALA 64 -24.319 0.222 10.189 474 3HB ALA 64 3HB ALA 64 -25.980 0.250 10.781 475 H GLU 65 H GLU 65 -27.242 2.417 7.258 476 HA GLU 65 HA GLU 65 -27.906 4.902 8.388 477 1HB GLU 65 1HB GLU 65 -28.875 3.069 6.349 478 2HB GLU 65 2HB GLU 65 -30.212 3.937 7.104 479 1HG GLU 65 1HG GLU 65 -29.352 6.042 6.488 480 2HG GLU 65 2HG GLU 65 -27.730 5.403 6.222 481 H ASN 66 H ASN 66 -29.572 5.593 9.806 482 HA ASN 66 HA ASN 66 -30.914 3.409 11.370 483 1HB ASN 66 1HB ASN 66 -29.886 6.143 12.200 484 2HB ASN 66 2HB ASN 66 -30.731 5.023 13.270 485 2HD2 ASN 66 2HD2 ASN 66 -28.012 5.871 13.756 486 1HD2 ASN 66 1HD2 ASN 66 -27.005 4.515 13.590 487 H GLN 67 H GLN 67 -32.073 4.611 9.003 488 HA GLN 67 HA GLN 67 -34.323 6.162 10.249 489 1HB GLN 67 1HB GLN 67 -32.478 7.084 8.455 490 2HB GLN 67 2HB GLN 67 -33.738 6.505 7.366 491 1HG GLN 67 1HG GLN 67 -35.336 7.784 9.038 492 2HG GLN 67 2HG GLN 67 -33.867 8.675 9.434 493 2HE2 GLN 67 2HE2 GLN 67 -34.565 10.651 8.380 494 1HE2 GLN 67 1HE2 GLN 67 -34.717 10.764 6.693 495 H LYS 68 H LYS 68 -36.090 6.144 8.160 496 HA LYS 68 HA LYS 68 -36.716 3.235 7.875 497 1HB LYS 68 1HB LYS 68 -38.264 4.850 9.046 498 2HB LYS 68 2HB LYS 68 -38.468 5.684 7.507 499 1HG LYS 68 2HG LYS 68 -38.873 2.951 6.948 500 2HG LYS 68 1HG LYS 68 -40.102 4.216 7.006 501 1HD LYS 68 1HD LYS 68 -40.456 2.179 8.543 502 2HD LYS 68 2HD LYS 68 -39.131 2.828 9.509 503 1HE LYS 68 1HE LYS 68 -40.653 5.073 9.189 504 2HE LYS 68 2HE LYS 68 -41.909 3.820 9.217 505 1HZ LYS 68 1HZ LYS 68 -40.753 2.866 11.180 506 2HZ LYS 68 2HZ LYS 68 -39.727 4.221 11.200 507 3HZ LYS 68 3HZ LYS 68 -41.391 4.415 11.470 508 H TYR 69 H TYR 69 -35.727 2.606 5.937 509 HA TYR 69 HA TYR 69 -36.892 3.587 3.447 510 1HB TYR 69 1HB TYR 69 -35.055 5.244 4.314 511 2HB TYR 69 2HB TYR 69 -33.925 4.009 3.759 512 HD1 TYR 69 HD1 TYR 69 -34.264 3.121 1.329 513 HD2 TYR 69 HD2 TYR 69 -35.928 6.803 2.790 514 HE1 TYR 69 HE1 TYR 69 -34.529 3.928 -1.002 515 HE2 TYR 69 HE2 TYR 69 -36.191 7.608 0.460 516 HH TYR 69 HH TYR 69 -34.898 5.795 -2.269 517 H GLY 70 H GLY 70 -37.289 1.198 3.496 518 1HA GLY 70 1HA GLY 70 -34.845 -0.394 2.844 519 2HA GLY 70 2HA GLY 70 -36.331 -1.082 3.498 No H/Q in entry = 519 Start of MODEL 9 1 H1 MET 1 1H MET 1 -16.764 -5.214 3.106 2 H2 MET 1 2H MET 1 -16.373 -3.696 2.457 3 H3 MET 1 3H MET 1 -16.665 -3.856 4.124 4 HA MET 1 HA MET 1 -18.640 -2.925 3.295 5 1HB MET 1 1HB MET 1 -17.613 -3.913 0.949 6 2HB MET 1 2HB MET 1 -19.013 -4.959 1.184 7 1HG MET 1 1HG MET 1 -20.519 -3.218 0.987 8 2HG MET 1 2HG MET 1 -19.384 -2.025 1.618 9 1HE MET 1 1HE MET 1 -18.019 -0.608 0.475 10 2HE MET 1 2HE MET 1 -18.178 -0.234 -1.239 11 3HE MET 1 3HE MET 1 -19.590 -0.133 -0.189 12 H GLU 2 H GLU 2 -19.227 -3.947 5.363 13 HA GLU 2 HA GLU 2 -20.468 -5.465 6.691 14 1HB GLU 2 1HB GLU 2 -21.977 -4.672 4.701 15 2HB GLU 2 2HB GLU 2 -21.747 -6.314 4.099 16 1HG GLU 2 1HG GLU 2 -22.564 -5.898 6.960 17 2HG GLU 2 2HG GLU 2 -23.780 -5.775 5.689 18 H ILE 3 H ILE 3 -18.223 -6.667 6.670 19 HA ILE 3 HA ILE 3 -18.708 -9.434 5.629 20 HB ILE 3 HB ILE 3 -16.236 -9.456 5.110 21 1HG1 ILE 3 1HG1 ILE 3 -16.512 -6.482 5.644 22 2HG1 ILE 3 2HG1 ILE 3 -15.592 -7.617 6.630 23 1HG2 ILE 3 1HG2 ILE 3 -18.360 -7.995 3.740 24 2HG2 ILE 3 2HG2 ILE 3 -16.760 -7.384 3.320 25 3HG2 ILE 3 3HG2 ILE 3 -17.145 -9.088 3.076 26 1HD1 ILE 3 1HD1 ILE 3 -15.073 -7.194 3.676 27 2HD1 ILE 3 2HD1 ILE 3 -14.219 -6.309 4.940 28 3HD1 ILE 3 3HD1 ILE 3 -14.061 -8.062 4.830 29 H ASP 4 H ASP 4 -18.256 -11.021 7.128 30 HA ASP 4 HA ASP 4 -16.324 -10.866 9.214 31 1HB ASP 4 1HB ASP 4 -17.883 -10.547 11.111 32 2HB ASP 4 2HB ASP 4 -17.811 -9.117 10.082 33 H GLU 5 H GLU 5 -15.924 -12.981 9.174 34 HA GLU 5 HA GLU 5 -17.889 -14.941 10.065 35 1HB GLU 5 1HB GLU 5 -18.350 -14.370 7.583 36 2HB GLU 5 2HB GLU 5 -16.851 -15.234 7.240 37 1HG GLU 5 1HG GLU 5 -17.830 -17.180 8.580 38 2HG GLU 5 2HG GLU 5 -19.369 -16.320 8.520 39 H GLY 6 H GLY 6 -15.350 -14.248 11.056 40 1HA GLY 6 1HA GLY 6 -13.382 -15.291 11.793 41 2HA GLY 6 2HA GLY 6 -14.036 -16.798 11.158 42 H LYS 7 H LYS 7 -13.877 -14.226 8.881 43 HA LYS 7 HA LYS 7 -11.823 -15.663 7.339 44 1HB LYS 7 1HB LYS 7 -13.952 -13.703 6.960 45 2HB LYS 7 2HB LYS 7 -12.487 -13.243 6.092 46 1HG LYS 7 1HG LYS 7 -12.451 -15.719 5.296 47 2HG LYS 7 2HG LYS 7 -14.140 -15.748 5.804 48 1HD LYS 7 1HD LYS 7 -13.730 -13.347 4.320 49 2HD LYS 7 2HD LYS 7 -13.029 -14.671 3.391 50 1HE LYS 7 1HE LYS 7 -15.074 -15.689 3.056 51 2HE LYS 7 2HE LYS 7 -15.706 -15.160 4.626 52 1HZ LYS 7 1HZ LYS 7 -15.517 -12.825 3.662 53 2HZ LYS 7 2HZ LYS 7 -15.368 -13.572 2.146 54 3HZ LYS 7 3HZ LYS 7 -16.779 -13.796 3.066 55 H TYR 8 H TYR 8 -9.725 -14.843 6.911 56 HA TYR 8 HA TYR 8 -8.984 -12.318 8.355 57 1HB TYR 8 1HB TYR 8 -7.730 -15.063 8.327 58 2HB TYR 8 2HB TYR 8 -6.765 -13.643 8.720 59 HD1 TYR 8 HD1 TYR 8 -10.001 -15.307 9.609 60 HD2 TYR 8 HD2 TYR 8 -6.733 -12.847 10.919 61 HE1 TYR 8 HE1 TYR 8 -10.911 -15.335 11.916 62 HE2 TYR 8 HE2 TYR 8 -7.643 -12.868 13.227 63 HH TYR 8 HH TYR 8 -10.084 -13.220 14.240 64 H GLU 9 H GLU 9 -7.517 -10.994 7.256 65 HA GLU 9 HA GLU 9 -6.795 -11.859 4.477 66 1HB GLU 9 1HB GLU 9 -8.343 -9.946 4.685 67 2HB GLU 9 2HB GLU 9 -7.187 -9.115 5.725 68 1HG GLU 9 1HG GLU 9 -6.109 -10.047 3.129 69 2HG GLU 9 2HG GLU 9 -7.314 -8.765 3.025 70 H CYS 10 H CYS 10 -4.614 -11.928 3.970 71 HA CYS 10 HA CYS 10 -2.639 -11.583 6.089 72 1HB CYS 10 1HB CYS 10 -2.773 -13.220 4.041 73 2HB CYS 10 2HB CYS 10 -2.064 -11.880 3.161 74 H GLU 11 H GLU 11 -1.990 -9.517 6.638 75 HA GLU 11 HA GLU 11 -2.187 -7.251 4.834 76 1HB GLU 11 1HB GLU 11 -1.580 -7.859 7.572 77 2HB GLU 11 2HB GLU 11 -0.300 -6.828 6.934 78 1HG GLU 11 1HG GLU 11 -1.917 -5.170 6.210 79 2HG GLU 11 2HG GLU 11 -3.259 -6.230 6.642 80 H ALA 12 H ALA 12 0.041 -9.831 5.112 81 HA ALA 12 HA ALA 12 2.413 -8.348 4.235 82 1HB ALA 12 1HB ALA 12 1.636 -11.144 4.958 83 2HB ALA 12 2HB ALA 12 3.111 -10.908 4.020 84 3HB ALA 12 3HB ALA 12 2.937 -10.142 5.599 85 H CYS 13 H CYS 13 0.086 -10.649 2.724 86 HA CYS 13 HA CYS 13 1.312 -9.872 0.103 87 1HB CYS 13 2HB CYS 13 1.749 -12.203 1.058 88 2HB CYS 13 1HB CYS 13 1.140 -12.140 -0.591 89 H GLY 14 H GLY 14 -1.691 -10.602 1.828 90 1HA GLY 14 1HA GLY 14 -3.681 -9.258 1.199 91 2HA GLY 14 2HA GLY 14 -3.160 -9.390 -0.479 92 H TYR 15 H TYR 15 -2.879 -12.189 1.533 93 HA TYR 15 HA TYR 15 -4.777 -13.664 -0.148 94 1HB TYR 15 1HB TYR 15 -2.650 -14.641 0.523 95 2HB TYR 15 2HB TYR 15 -3.013 -14.356 2.225 96 HD1 TYR 15 HD1 TYR 15 -4.661 -15.717 3.411 97 HD2 TYR 15 HD2 TYR 15 -3.755 -16.427 -0.726 98 HE1 TYR 15 HE1 TYR 15 -5.799 -17.914 3.542 99 HE2 TYR 15 HE2 TYR 15 -4.892 -18.626 -0.597 100 HH TYR 15 HH TYR 15 -6.280 -19.910 0.662 101 H ILE 16 H ILE 16 -6.433 -15.105 1.032 102 HA ILE 16 HA ILE 16 -7.558 -13.722 3.442 103 HB ILE 16 HB ILE 16 -8.975 -14.642 0.925 104 1HG1 ILE 16 1HG1 ILE 16 -7.668 -12.530 0.755 105 2HG1 ILE 16 2HG1 ILE 16 -9.402 -12.265 0.579 106 1HG2 ILE 16 1HG2 ILE 16 -9.925 -14.081 3.642 107 2HG2 ILE 16 2HG2 ILE 16 -10.729 -13.099 2.417 108 3HG2 ILE 16 3HG2 ILE 16 -10.763 -14.858 2.300 109 1HD1 ILE 16 1HD1 ILE 16 -8.707 -12.128 3.367 110 2HD1 ILE 16 2HD1 ILE 16 -7.635 -11.065 2.456 111 3HD1 ILE 16 3HD1 ILE 16 -9.383 -10.861 2.342 112 H TYR 17 H TYR 17 -7.546 -15.244 5.034 113 HA TYR 17 HA TYR 17 -7.593 -18.112 4.449 114 1HB TYR 17 1HB TYR 17 -6.281 -17.257 6.300 115 2HB TYR 17 2HB TYR 17 -7.687 -16.443 6.982 116 HD1 TYR 17 HD1 TYR 17 -6.478 -19.851 5.994 117 HD2 TYR 17 HD2 TYR 17 -9.001 -17.541 8.597 118 HE1 TYR 17 HE1 TYR 17 -7.062 -21.907 7.253 119 HE2 TYR 17 HE2 TYR 17 -9.590 -19.599 9.852 120 HH TYR 17 HH TYR 17 -9.559 -21.900 9.720 121 H GLU 18 H GLU 18 -9.371 -19.450 4.550 122 HA GLU 18 HA GLU 18 -11.987 -18.203 5.323 123 1HB GLU 18 1HB GLU 18 -11.377 -20.429 3.352 124 2HB GLU 18 2HB GLU 18 -12.949 -19.676 3.617 125 1HG GLU 18 1HG GLU 18 -12.087 -17.524 2.838 126 2HG GLU 18 2HG GLU 18 -10.471 -18.209 2.662 127 HA PRO 19 HA PRO 19 -11.555 -21.455 8.431 128 1HB PRO 19 1HB PRO 19 -13.734 -20.690 9.912 129 2HB PRO 19 2HB PRO 19 -12.145 -19.934 10.048 130 1HG PRO 19 1HG PRO 19 -14.565 -18.980 8.618 131 2HG PRO 19 2HG PRO 19 -13.358 -18.069 9.527 132 1HD PRO 19 1HD PRO 19 -13.416 -18.201 6.797 133 2HD PRO 19 2HD PRO 19 -11.940 -17.912 7.740 134 H GLU 20 H GLU 20 -14.894 -20.534 7.668 135 HA GLU 20 HA GLU 20 -16.164 -23.002 7.858 136 1HB GLU 20 1HB GLU 20 -16.943 -20.565 7.245 137 2HB GLU 20 2HB GLU 20 -16.756 -21.126 5.584 138 1HG GLU 20 1HG GLU 20 -18.268 -22.837 7.531 139 2HG GLU 20 2HG GLU 20 -19.066 -21.425 6.837 140 H LYS 21 H LYS 21 -13.968 -21.914 5.344 141 HA LYS 21 HA LYS 21 -14.629 -24.236 3.615 142 1HB LYS 21 1HB LYS 21 -13.869 -21.562 3.233 143 2HB LYS 21 2HB LYS 21 -12.456 -22.507 2.761 144 1HG LYS 21 1HG LYS 21 -15.157 -23.385 1.805 145 2HG LYS 21 2HG LYS 21 -14.383 -22.013 1.013 146 1HD LYS 21 1HD LYS 21 -12.856 -23.336 -0.012 147 2HD LYS 21 2HD LYS 21 -12.550 -24.257 1.459 148 1HE LYS 21 1HE LYS 21 -13.637 -25.955 0.381 149 2HE LYS 21 2HE LYS 21 -15.117 -25.055 0.764 150 1HZ LYS 21 1HZ LYS 21 -13.417 -24.496 -1.611 151 2HZ LYS 21 2HZ LYS 21 -14.773 -25.520 -1.662 152 3HZ LYS 21 3HZ LYS 21 -14.964 -23.878 -1.283 153 H GLY 22 H GLY 22 -11.866 -22.840 5.372 154 1HA GLY 22 1HA GLY 22 -10.212 -24.193 6.507 155 2HA GLY 22 2HA GLY 22 -10.669 -25.555 5.485 156 H ASP 23 H ASP 23 -7.975 -24.507 5.931 157 HA ASP 23 HA ASP 23 -7.199 -23.106 3.464 158 1HB ASP 23 1HB ASP 23 -6.259 -23.269 6.041 159 2HB ASP 23 2HB ASP 23 -5.153 -24.348 5.191 160 H LYS 24 H LYS 24 -8.356 -25.249 2.461 161 HA LYS 24 HA LYS 24 -7.187 -27.766 2.330 162 1HB LYS 24 1HB LYS 24 -8.934 -26.097 0.782 163 2HB LYS 24 2HB LYS 24 -7.861 -26.959 -0.320 164 1HG LYS 24 1HG LYS 24 -8.437 -29.039 1.172 165 2HG LYS 24 2HG LYS 24 -9.830 -28.074 1.662 166 1HD LYS 24 1HD LYS 24 -10.862 -28.773 -0.217 167 2HD LYS 24 2HD LYS 24 -9.707 -27.801 -1.129 168 1HE LYS 24 1HE LYS 24 -8.171 -29.705 -1.283 169 2HE LYS 24 2HE LYS 24 -9.252 -30.684 -0.273 170 1HZ LYS 24 1HZ LYS 24 -10.230 -29.325 -2.713 171 2HZ LYS 24 2HZ LYS 24 -9.508 -30.860 -2.805 172 3HZ LYS 24 3HZ LYS 24 -10.916 -30.641 -1.887 173 H PHE 25 H PHE 25 -5.898 -24.771 1.024 174 HA PHE 25 HA PHE 25 -3.923 -26.077 -0.702 175 1HB PHE 25 1HB PHE 25 -4.996 -23.457 -0.160 176 2HB PHE 25 2HB PHE 25 -3.235 -23.386 -0.104 177 HD1 PHE 25 HD1 PHE 25 -5.676 -25.388 -2.140 178 HD2 PHE 25 HD2 PHE 25 -2.380 -22.634 -2.140 179 HE1 PHE 25 HE1 PHE 25 -5.596 -25.484 -4.618 180 HE2 PHE 25 HE2 PHE 25 -2.299 -22.730 -4.616 181 HZ PHE 25 HZ PHE 25 -3.907 -24.155 -5.855 182 H ALA 26 H ALA 26 -4.114 -25.118 2.645 183 HA ALA 26 HA ALA 26 -1.150 -25.361 2.949 184 1HB ALA 26 3HB ALA 26 -1.809 -23.409 4.004 185 2HB ALA 26 1HB ALA 26 -3.407 -24.043 4.393 186 3HB ALA 26 2HB ALA 26 -2.009 -24.536 5.346 187 H GLY 27 H GLY 27 -4.214 -26.819 3.892 188 1HA GLY 27 1HA GLY 27 -3.986 -29.323 4.293 189 2HA GLY 27 2HA GLY 27 -2.677 -28.900 5.396 190 H ILE 28 H ILE 28 -5.703 -27.083 5.095 191 HA ILE 28 HA ILE 28 -6.472 -28.084 7.811 192 HB ILE 28 HB ILE 28 -6.364 -25.282 6.668 193 1HG1 ILE 28 1HG1 ILE 28 -5.296 -25.813 9.339 194 2HG1 ILE 28 2HG1 ILE 28 -4.524 -26.792 8.094 195 1HG2 ILE 28 1HG2 ILE 28 -8.493 -25.590 7.899 196 2HG2 ILE 28 2HG2 ILE 28 -7.591 -26.193 9.290 197 3HG2 ILE 28 3HG2 ILE 28 -7.396 -24.519 8.771 198 1HD1 ILE 28 1HD1 ILE 28 -4.082 -24.754 6.769 199 2HD1 ILE 28 2HD1 ILE 28 -4.852 -23.776 8.018 200 3HD1 ILE 28 3HD1 ILE 28 -3.353 -24.637 8.370 201 HA PRO 29 HA PRO 29 -10.207 -28.841 5.461 202 1HB PRO 29 1HB PRO 29 -11.677 -29.900 7.512 203 2HB PRO 29 2HB PRO 29 -10.428 -30.813 6.645 204 1HG PRO 29 1HG PRO 29 -10.310 -29.478 9.301 205 2HG PRO 29 2HG PRO 29 -9.587 -31.003 8.773 206 1HD PRO 29 1HD PRO 29 -8.207 -28.643 9.021 207 2HD PRO 29 2HD PRO 29 -7.727 -29.970 7.944 208 HA PRO 30 HA PRO 30 -12.917 -25.506 6.471 209 1HB PRO 30 1HB PRO 30 -15.425 -26.558 6.224 210 2HB PRO 30 2HB PRO 30 -14.382 -26.221 4.827 211 1HG PRO 30 2HG PRO 30 -14.782 -28.473 4.500 212 2HG PRO 30 1HG PRO 30 -14.904 -28.799 6.235 213 1HD PRO 30 1HD PRO 30 -12.756 -29.567 5.935 214 2HD PRO 30 2HD PRO 30 -12.475 -28.522 4.526 215 H GLY 31 H GLY 31 -15.337 -25.413 7.794 216 1HA GLY 31 1HA GLY 31 -16.133 -25.227 10.005 217 2HA GLY 31 2HA GLY 31 -15.757 -26.947 10.089 218 H THR 32 H THR 32 -13.211 -24.632 9.488 219 HA THR 32 HA THR 32 -12.246 -25.020 12.302 220 HB THR 32 HB THR 32 -10.728 -25.002 9.673 221 HG1 THR 32 HG1 THR 32 -10.683 -27.117 9.897 222 1HG2 THR 32 1HG2 THR 32 -9.592 -23.992 11.758 223 2HG2 THR 32 2HG2 THR 32 -9.604 -25.635 12.400 224 3HG2 THR 32 3HG2 THR 32 -8.731 -25.276 10.910 225 HA PRO 33 HA PRO 33 -12.365 -20.533 11.873 226 1HB PRO 33 1HB PRO 33 -11.850 -19.976 14.501 227 2HB PRO 33 2HB PRO 33 -13.456 -20.437 13.906 228 1HG PRO 33 1HG PRO 33 -11.402 -22.079 15.305 229 2HG PRO 33 2HG PRO 33 -13.163 -22.092 15.475 230 1HD PRO 33 1HD PRO 33 -11.755 -23.948 14.038 231 2HD PRO 33 2HD PRO 33 -13.444 -23.516 13.707 232 H PHE 34 H PHE 34 -10.731 -18.934 11.794 233 HA PHE 34 HA PHE 34 -8.061 -19.712 11.323 234 1HB PHE 34 1HB PHE 34 -8.978 -17.638 10.521 235 2HB PHE 34 2HB PHE 34 -9.376 -17.109 12.145 236 HD1 PHE 34 HD1 PHE 34 -6.587 -17.767 9.789 237 HD2 PHE 34 HD2 PHE 34 -7.738 -16.089 13.571 238 HE1 PHE 34 HE1 PHE 34 -4.364 -16.684 9.984 239 HE2 PHE 34 HE2 PHE 34 -5.516 -15.005 13.766 240 HZ PHE 34 HZ PHE 34 -3.829 -15.302 11.973 241 H VAL 35 H VAL 35 -9.675 -18.976 14.356 242 HA VAL 35 HA VAL 35 -7.310 -18.482 15.937 243 HB VAL 35 HB VAL 35 -8.904 -18.796 17.793 244 1HG1 VAL 35 1HG1 VAL 35 -8.943 -16.722 16.342 245 2HG1 VAL 35 2HG1 VAL 35 -10.290 -17.446 15.462 246 3HG1 VAL 35 3HG1 VAL 35 -10.460 -17.062 17.175 247 1HG2 VAL 35 1HG2 VAL 35 -10.299 -20.348 15.707 248 2HG2 VAL 35 2HG2 VAL 35 -10.358 -20.515 17.462 249 3HG2 VAL 35 3HG2 VAL 35 -11.350 -19.298 16.659 250 H ASP 36 H ASP 36 -8.899 -21.383 14.801 251 HA ASP 36 HA ASP 36 -7.529 -23.135 16.738 252 1HB ASP 36 1HB ASP 36 -9.896 -23.270 15.531 253 2HB ASP 36 2HB ASP 36 -8.956 -24.088 14.284 254 H LEU 37 H LEU 37 -6.656 -21.626 13.825 255 HA LEU 37 HA LEU 37 -5.300 -23.566 12.318 256 1HB LEU 37 1HB LEU 37 -4.841 -20.660 12.973 257 2HB LEU 37 2HB LEU 37 -3.715 -21.515 11.919 258 HG LEU 37 HG LEU 37 -6.709 -21.270 11.488 259 1HD1 LEU 37 1HD1 LEU 37 -5.159 -19.236 11.099 260 2HD1 LEU 37 2HD1 LEU 37 -4.495 -20.166 9.754 261 3HD1 LEU 37 3HD1 LEU 37 -6.203 -19.725 9.764 262 1HD2 LEU 37 1HD2 LEU 37 -4.567 -22.925 10.250 263 2HD2 LEU 37 2HD2 LEU 37 -6.296 -23.246 10.396 264 3HD2 LEU 37 3HD2 LEU 37 -5.705 -22.157 9.141 265 H SER 38 H SER 38 -2.961 -24.106 12.302 266 HA SER 38 HA SER 38 -1.963 -25.052 14.783 267 1HB SER 38 1HB SER 38 -1.342 -25.215 12.091 268 2HB SER 38 2HB SER 38 0.048 -24.356 12.754 269 HG SER 38 HG SER 38 0.485 -26.026 14.065 270 H ASP 39 H ASP 39 -0.296 -24.213 16.161 271 HA ASP 39 HA ASP 39 -0.347 -21.454 16.770 272 1HB ASP 39 1HB ASP 39 0.446 -23.430 18.155 273 2HB ASP 39 2HB ASP 39 1.947 -23.382 17.231 274 H SER 40 H SER 40 1.554 -23.198 14.390 275 HA SER 40 HA SER 40 3.002 -20.646 13.750 276 1HB SER 40 1HB SER 40 3.852 -23.380 14.252 277 2HB SER 40 2HB SER 40 4.399 -22.830 12.668 278 HG SER 40 HG SER 40 5.913 -21.952 13.851 279 H PHE 41 H PHE 41 0.393 -21.371 12.657 280 HA PHE 41 HA PHE 41 0.517 -22.645 10.114 281 1HB PHE 41 1HB PHE 41 -1.594 -22.200 11.127 282 2HB PHE 41 2HB PHE 41 -1.217 -20.504 11.366 283 HD1 PHE 41 HD1 PHE 41 -2.059 -23.074 8.816 284 HD2 PHE 41 HD2 PHE 41 -1.553 -18.883 9.623 285 HE1 PHE 41 HE1 PHE 41 -3.092 -22.528 6.629 286 HE2 PHE 41 HE2 PHE 41 -2.590 -18.339 7.437 287 HZ PHE 41 HZ PHE 41 -3.358 -20.160 5.941 288 H MET 42 H MET 42 1.323 -21.946 8.159 289 HA MET 42 HA MET 42 2.369 -19.140 8.020 290 1HB MET 42 1HB MET 42 3.116 -21.562 6.348 291 2HB MET 42 2HB MET 42 3.988 -20.036 6.456 292 1HG MET 42 1HG MET 42 4.037 -20.643 9.046 293 2HG MET 42 2HG MET 42 3.856 -22.283 8.426 294 1HE MET 42 1HE MET 42 5.437 -19.140 8.631 295 2HE MET 42 2HE MET 42 7.050 -19.666 9.109 296 3HE MET 42 3HE MET 42 6.771 -19.085 7.470 297 H CYS 43 H CYS 43 2.036 -18.004 5.978 298 HA CYS 43 HA CYS 43 -0.590 -18.401 4.835 299 1HB CYS 43 1HB CYS 43 0.699 -16.247 5.164 300 2HB CYS 43 2HB CYS 43 1.732 -16.742 3.826 301 HA PRO 44 HA PRO 44 0.795 -21.289 1.725 302 1HB PRO 44 1HB PRO 44 -1.554 -21.460 0.334 303 2HB PRO 44 2HB PRO 44 -1.280 -22.289 1.877 304 1HG PRO 44 1HG PRO 44 -2.789 -19.794 1.298 305 2HG PRO 44 2HG PRO 44 -3.123 -21.066 2.480 306 1HD PRO 44 1HD PRO 44 -1.987 -18.624 3.075 307 2HD PRO 44 2HD PRO 44 -1.823 -20.084 4.073 308 H ALA 45 H ALA 45 0.059 -18.027 1.324 309 HA ALA 45 HA ALA 45 0.587 -18.119 -1.618 310 1HB ALA 45 2HB ALA 45 -0.276 -15.561 -0.613 311 2HB ALA 45 3HB ALA 45 -1.113 -16.639 -1.731 312 3HB ALA 45 1HB ALA 45 -1.344 -16.820 0.008 313 H CYS 46 H CYS 46 1.603 -16.692 1.466 314 HA CYS 46 HA CYS 46 4.064 -15.749 0.066 315 1HB CYS 46 2HB CYS 46 2.150 -14.038 0.613 316 2HB CYS 46 1HB CYS 46 3.824 -13.590 0.901 317 H ARG 47 H ARG 47 3.013 -17.881 2.257 318 HA ARG 47 HA ARG 47 4.058 -19.083 3.993 319 1HB ARG 47 1HB ARG 47 5.851 -18.585 2.087 320 2HB ARG 47 2HB ARG 47 6.608 -17.653 3.380 321 1HG ARG 47 1HG ARG 47 6.049 -19.891 4.759 322 2HG ARG 47 2HG ARG 47 6.197 -20.596 3.148 323 1HD ARG 47 1HD ARG 47 8.361 -18.803 3.358 324 2HD ARG 47 2HD ARG 47 8.301 -19.654 4.913 325 HE ARG 47 HE ARG 47 7.929 -21.382 2.563 326 1HH1 ARG 47 1HH1 ARG 47 8.963 -22.922 4.586 327 2HH1 ARG 47 2HH1 ARG 47 10.689 -22.817 4.477 328 1HH2 ARG 47 1HH2 ARG 47 10.656 -19.953 2.523 329 2HH2 ARG 47 2HH2 ARG 47 11.646 -21.136 3.310 330 H SER 48 H SER 48 3.359 -15.955 4.392 331 HA SER 48 HA SER 48 5.131 -15.091 6.500 332 1HB SER 48 1HB SER 48 2.390 -14.366 5.492 333 2HB SER 48 2HB SER 48 2.990 -13.642 6.981 334 HG SER 48 HG SER 48 4.423 -12.537 5.901 335 HA PRO 49 HA PRO 49 3.556 -17.333 9.939 336 1HB PRO 49 1HB PRO 49 3.651 -15.474 11.948 337 2HB PRO 49 2HB PRO 49 5.099 -16.241 11.269 338 1HG PRO 49 1HG PRO 49 3.944 -13.547 10.731 339 2HG PRO 49 2HG PRO 49 5.636 -14.037 10.879 340 1HD PRO 49 1HD PRO 49 4.381 -13.595 8.490 341 2HD PRO 49 2HD PRO 49 5.765 -14.690 8.688 342 H LYS 50 H LYS 50 1.548 -17.762 10.925 343 HA LYS 50 HA LYS 50 -0.838 -16.644 9.987 344 1HB LYS 50 1HB LYS 50 -0.521 -18.769 11.253 345 2HB LYS 50 2HB LYS 50 -0.237 -17.832 12.717 346 1HG LYS 50 1HG LYS 50 -2.536 -16.755 12.255 347 2HG LYS 50 2HG LYS 50 -2.788 -18.085 11.125 348 1HD LYS 50 1HD LYS 50 -3.147 -19.564 12.799 349 2HD LYS 50 2HD LYS 50 -1.734 -19.003 13.693 350 1HE LYS 50 1HE LYS 50 -4.311 -17.415 13.619 351 2HE LYS 50 2HE LYS 50 -3.988 -18.641 14.857 352 1HZ LYS 50 1HZ LYS 50 -2.210 -16.352 14.180 353 2HZ LYS 50 2HZ LYS 50 -3.204 -16.445 15.554 354 3HZ LYS 50 3HZ LYS 50 -1.906 -17.524 15.367 355 H ASN 51 H ASN 51 1.271 -15.424 12.520 356 HA ASN 51 HA ASN 51 -0.629 -13.662 13.768 357 1HB ASN 51 1HB ASN 51 2.178 -14.326 13.862 358 2HB ASN 51 2HB ASN 51 1.991 -12.572 13.887 359 2HD2 ASN 51 2HD2 ASN 51 2.693 -14.552 16.125 360 1HD2 ASN 51 1HD2 ASN 51 1.570 -14.211 17.352 361 H GLN 52 H GLN 52 0.820 -13.594 10.666 362 HA GLN 52 HA GLN 52 0.760 -10.662 10.390 363 1HB GLN 52 1HB GLN 52 1.963 -12.916 9.128 364 2HB GLN 52 2HB GLN 52 0.975 -12.106 7.914 365 1HG GLN 52 1HG GLN 52 3.069 -10.786 9.672 366 2HG GLN 52 2HG GLN 52 3.248 -11.156 7.957 367 2HE2 GLN 52 2HE2 GLN 52 0.624 -10.390 7.069 368 1HE2 GLN 52 1HE2 GLN 52 0.469 -8.713 7.260 369 H PHE 53 H PHE 53 -1.571 -13.124 10.341 370 HA PHE 53 HA PHE 53 -3.174 -12.040 8.120 371 1HB PHE 53 1HB PHE 53 -3.502 -14.167 10.241 372 2HB PHE 53 2HB PHE 53 -4.823 -13.738 9.157 373 HD1 PHE 53 HD1 PHE 53 -1.254 -14.841 9.189 374 HD2 PHE 53 HD2 PHE 53 -4.919 -14.592 6.961 375 HE1 PHE 53 HE1 PHE 53 -0.268 -16.259 7.409 376 HE2 PHE 53 HE2 PHE 53 -3.933 -16.011 5.183 377 HZ PHE 53 HZ PHE 53 -1.608 -16.843 5.405 378 H LYS 54 H LYS 54 -5.037 -10.774 8.355 379 HA LYS 54 HA LYS 54 -5.633 -9.759 11.117 380 1HB LYS 54 1HB LYS 54 -4.395 -8.195 9.567 381 2HB LYS 54 2HB LYS 54 -5.781 -8.262 8.479 382 1HG LYS 54 1HG LYS 54 -7.102 -7.645 10.712 383 2HG LYS 54 2HG LYS 54 -5.535 -6.973 11.165 384 1HD LYS 54 1HD LYS 54 -6.630 -6.354 8.445 385 2HD LYS 54 2HD LYS 54 -7.295 -5.500 9.837 386 1HE LYS 54 1HE LYS 54 -4.391 -5.593 9.985 387 2HE LYS 54 2HE LYS 54 -4.931 -4.846 8.468 388 1HZ LYS 54 1HZ LYS 54 -6.202 -4.195 11.063 389 2HZ LYS 54 2HZ LYS 54 -4.822 -3.360 10.528 390 3HZ LYS 54 3HZ LYS 54 -6.254 -3.315 9.615 391 H SER 55 H SER 55 -7.684 -10.407 11.675 392 HA SER 55 HA SER 55 -9.571 -11.666 10.038 393 1HB SER 55 1HB SER 55 -9.913 -11.752 12.359 394 2HB SER 55 2HB SER 55 -9.720 -10.013 12.538 395 HG SER 55 HG SER 55 -11.890 -10.534 12.684 396 H ILE 56 H ILE 56 -11.857 -10.638 9.686 397 HA ILE 56 HA ILE 56 -11.660 -7.845 8.652 398 HB ILE 56 HB ILE 56 -12.665 -8.642 6.516 399 1HG1 ILE 56 1HG1 ILE 56 -12.004 -11.443 6.871 400 2HG1 ILE 56 2HG1 ILE 56 -13.217 -10.935 8.045 401 1HG2 ILE 56 1HG2 ILE 56 -10.162 -8.477 6.887 402 2HG2 ILE 56 2HG2 ILE 56 -10.166 -10.213 7.201 403 3HG2 ILE 56 3HG2 ILE 56 -10.646 -9.601 5.617 404 1HD1 ILE 56 1HD1 ILE 56 -13.516 -10.099 5.177 405 2HD1 ILE 56 2HD1 ILE 56 -13.965 -11.738 5.646 406 3HD1 ILE 56 3HD1 ILE 56 -14.763 -10.357 6.398 407 H LYS 57 H LYS 57 -12.996 -8.225 10.927 408 HA LYS 57 HA LYS 57 -15.833 -8.895 10.373 409 1HB LYS 57 1HB LYS 57 -14.542 -9.668 12.405 410 2HB LYS 57 2HB LYS 57 -14.458 -7.983 12.921 411 1HG LYS 57 1HG LYS 57 -17.088 -8.099 12.507 412 2HG LYS 57 2HG LYS 57 -16.819 -9.817 12.799 413 1HD LYS 57 1HD LYS 57 -15.368 -8.771 14.833 414 2HD LYS 57 2HD LYS 57 -16.602 -7.521 14.669 415 1HE LYS 57 1HE LYS 57 -18.274 -9.552 14.615 416 2HE LYS 57 2HE LYS 57 -16.939 -10.426 15.389 417 1HZ LYS 57 1HZ LYS 57 -17.939 -7.773 16.286 418 2HZ LYS 57 2HZ LYS 57 -18.426 -9.244 16.981 419 3HZ LYS 57 3HZ LYS 57 -16.802 -8.753 17.074 420 H LYS 58 H LYS 58 -15.473 -6.779 8.858 421 HA LYS 58 HA LYS 58 -16.087 -4.336 10.474 422 1HB LYS 58 1HB LYS 58 -14.398 -4.952 8.262 423 2HB LYS 58 2HB LYS 58 -15.642 -3.845 7.682 424 1HG LYS 58 1HG LYS 58 -14.989 -2.733 10.109 425 2HG LYS 58 2HG LYS 58 -13.432 -3.365 9.573 426 1HD LYS 58 1HD LYS 58 -14.714 -2.147 7.327 427 2HD LYS 58 2HD LYS 58 -14.781 -1.013 8.675 428 1HE LYS 58 1HE LYS 58 -12.303 -1.427 9.029 429 2HE LYS 58 2HE LYS 58 -12.310 -2.333 7.505 430 1HZ LYS 58 1HZ LYS 58 -13.508 -0.304 6.571 431 2HZ LYS 58 2HZ LYS 58 -12.984 0.517 7.960 432 3HZ LYS 58 3HZ LYS 58 -11.846 -0.135 6.879 433 H VAL 59 H VAL 59 -18.262 -3.962 10.611 434 HA VAL 59 HA VAL 59 -19.907 -4.296 8.132 435 HB VAL 59 HB VAL 59 -21.708 -5.179 9.671 436 1HG1 VAL 59 1HG1 VAL 59 -19.243 -6.498 8.835 437 2HG1 VAL 59 2HG1 VAL 59 -19.973 -7.285 10.234 438 3HG1 VAL 59 3HG1 VAL 59 -20.907 -7.079 8.753 439 1HG2 VAL 59 1HG2 VAL 59 -19.396 -5.251 11.635 440 2HG2 VAL 59 2HG2 VAL 59 -20.840 -4.249 11.772 441 3HG2 VAL 59 3HG2 VAL 59 -20.969 -6.003 11.892 442 H ILE 60 H ILE 60 -21.721 -2.820 8.036 443 HA ILE 60 HA ILE 60 -21.577 -0.567 10.017 444 HB ILE 60 HB ILE 60 -22.055 -0.580 7.018 445 1HG1 ILE 60 2HG1 ILE 60 -19.947 0.714 6.973 446 2HG1 ILE 60 1HG1 ILE 60 -19.701 -0.876 7.697 447 1HG2 ILE 60 1HG2 ILE 60 -22.164 1.644 9.070 448 2HG2 ILE 60 2HG2 ILE 60 -21.974 1.945 7.343 449 3HG2 ILE 60 3HG2 ILE 60 -23.431 1.154 7.945 450 1HD1 ILE 60 1HD1 ILE 60 -20.334 1.545 9.387 451 2HD1 ILE 60 2HD1 ILE 60 -19.617 0.015 9.892 452 3HD1 ILE 60 3HD1 ILE 60 -18.677 1.153 8.927 453 H ALA 61 H ALA 61 -23.641 0.487 10.447 454 HA ALA 61 HA ALA 61 -26.084 -0.858 9.410 455 1HB ALA 61 2HB ALA 61 -26.836 -1.069 11.839 456 2HB ALA 61 1HB ALA 61 -25.174 -0.698 12.296 457 3HB ALA 61 3HB ALA 61 -25.529 -2.152 11.361 458 H GLY 62 H GLY 62 -26.269 1.329 8.402 459 1HA GLY 62 1HA GLY 62 -27.398 3.293 10.349 460 2HA GLY 62 2HA GLY 62 -26.302 3.828 9.075 461 H PHE 63 H PHE 63 -29.073 1.555 9.095 462 HA PHE 63 HA PHE 63 -30.022 2.689 6.548 463 1HB PHE 63 1HB PHE 63 -30.086 0.222 7.877 464 2HB PHE 63 2HB PHE 63 -31.760 0.778 7.896 465 HD1 PHE 63 HD1 PHE 63 -32.385 2.051 5.529 466 HD2 PHE 63 HD2 PHE 63 -29.529 -1.115 6.056 467 HE1 PHE 63 HE1 PHE 63 -32.614 1.446 3.136 468 HE2 PHE 63 HE2 PHE 63 -29.760 -1.719 3.661 469 HZ PHE 63 HZ PHE 63 -31.303 -0.439 2.201 470 H ALA 64 H ALA 64 -31.031 4.673 6.816 471 HA ALA 64 HA ALA 64 -33.419 4.740 8.597 472 1HB ALA 64 1HB ALA 64 -30.905 6.340 8.766 473 2HB ALA 64 3HB ALA 64 -31.980 5.804 10.058 474 3HB ALA 64 2HB ALA 64 -32.419 7.195 9.065 475 H GLU 65 H GLU 65 -34.192 7.338 8.183 476 HA GLU 65 HA GLU 65 -34.236 7.679 5.204 477 1HB GLU 65 1HB GLU 65 -36.667 8.170 5.471 478 2HB GLU 65 2HB GLU 65 -36.261 6.533 5.988 479 1HG GLU 65 1HG GLU 65 -36.442 7.077 8.270 480 2HG GLU 65 2HG GLU 65 -36.264 8.805 7.968 481 H ASN 66 H ASN 66 -35.861 9.946 5.153 482 HA ASN 66 HA ASN 66 -34.324 11.931 6.802 483 1HB ASN 66 1HB ASN 66 -34.032 11.523 4.149 484 2HB ASN 66 2HB ASN 66 -35.389 12.649 4.112 485 2HD2 ASN 66 2HD2 ASN 66 -34.507 14.683 3.679 486 1HD2 ASN 66 1HD2 ASN 66 -33.157 15.341 4.471 487 H GLN 67 H GLN 67 -35.605 13.444 7.851 488 HA GLN 67 HA GLN 67 -38.539 13.165 7.605 489 1HB GLN 67 1HB GLN 67 -38.487 14.619 9.619 490 2HB GLN 67 2HB GLN 67 -37.414 13.231 9.799 491 1HG GLN 67 1HG GLN 67 -35.514 14.517 9.717 492 2HG GLN 67 2HG GLN 67 -36.225 15.681 8.599 493 2HE2 GLN 67 1HE2 GLN 67 -35.802 14.883 12.001 494 1HE2 GLN 67 2HE2 GLN 67 -36.503 16.303 12.615 495 H LYS 68 H LYS 68 -39.893 15.119 7.313 496 HA LYS 68 HA LYS 68 -40.484 17.038 6.061 497 1HB LYS 68 1HB LYS 68 -37.868 17.543 7.410 498 2HB LYS 68 2HB LYS 68 -38.401 18.729 6.218 499 1HG LYS 68 1HG LYS 68 -40.698 18.534 7.512 500 2HG LYS 68 2HG LYS 68 -39.672 17.952 8.823 501 1HD LYS 68 1HD LYS 68 -38.215 20.062 8.247 502 2HD LYS 68 2HD LYS 68 -39.698 20.648 7.492 503 1HE LYS 68 1HE LYS 68 -39.646 19.587 10.333 504 2HE LYS 68 2HE LYS 68 -39.399 21.300 9.948 505 1HZ LYS 68 1HZ LYS 68 -41.472 21.127 8.570 506 2HZ LYS 68 2HZ LYS 68 -41.745 19.607 9.275 507 3HZ LYS 68 3HZ LYS 68 -41.723 20.998 10.245 508 H TYR 69 H TYR 69 -39.167 18.650 4.317 509 HA TYR 69 HA TYR 69 -37.667 16.860 2.448 510 1HB TYR 69 1HB TYR 69 -40.346 17.442 2.228 511 2HB TYR 69 2HB TYR 69 -39.623 18.704 1.232 512 HD1 TYR 69 HD1 TYR 69 -38.265 18.133 -0.743 513 HD2 TYR 69 HD2 TYR 69 -40.177 15.095 1.615 514 HE1 TYR 69 HE1 TYR 69 -37.893 16.488 -2.562 515 HE2 TYR 69 HE2 TYR 69 -39.805 13.450 -0.202 516 HH TYR 69 HH TYR 69 -38.629 13.068 -2.126 517 H GLY 70 H GLY 70 -36.155 17.984 1.146 518 1HA GLY 70 1HA GLY 70 -35.159 19.974 0.203 519 2HA GLY 70 2HA GLY 70 -36.069 20.944 1.361 No H/Q in entry = 519 Start of MODEL 10 1 H1 MET 1 1H MET 1 -15.806 -8.403 0.169 2 H2 MET 1 2H MET 1 -14.436 -7.420 -0.041 3 H3 MET 1 3H MET 1 -14.489 -8.550 1.226 4 HA MET 1 HA MET 1 -14.912 -6.468 2.235 5 1HB MET 1 1HB MET 1 -16.595 -4.961 1.190 6 2HB MET 1 2HB MET 1 -15.279 -5.341 0.078 7 1HG MET 1 1HG MET 1 -16.607 -6.827 -1.177 8 2HG MET 1 2HG MET 1 -17.786 -7.014 0.122 9 1HE MET 1 1HE MET 1 -19.786 -6.691 -1.188 10 2HE MET 1 2HE MET 1 -19.921 -5.749 0.293 11 3HE MET 1 3HE MET 1 -20.511 -5.079 -1.225 12 H GLU 2 H GLU 2 -17.163 -5.743 3.285 13 HA GLU 2 HA GLU 2 -18.948 -6.459 4.665 14 1HB GLU 2 1HB GLU 2 -19.841 -6.560 2.301 15 2HB GLU 2 2HB GLU 2 -19.431 -8.276 2.283 16 1HG GLU 2 2HG GLU 2 -20.853 -7.823 4.689 17 2HG GLU 2 1HG GLU 2 -21.408 -8.710 3.270 18 H ILE 3 H ILE 3 -17.136 -7.533 5.999 19 HA ILE 3 HA ILE 3 -17.476 -10.518 5.967 20 HB ILE 3 HB ILE 3 -15.071 -8.862 6.803 21 1HG1 ILE 3 1HG1 ILE 3 -15.585 -10.431 4.255 22 2HG1 ILE 3 2HG1 ILE 3 -15.507 -8.674 4.380 23 1HG2 ILE 3 1HG2 ILE 3 -15.598 -11.823 6.504 24 2HG2 ILE 3 2HG2 ILE 3 -13.966 -11.155 6.523 25 3HG2 ILE 3 3HG2 ILE 3 -15.013 -10.961 7.928 26 1HD1 ILE 3 1HD1 ILE 3 -13.248 -10.589 5.042 27 2HD1 ILE 3 2HD1 ILE 3 -13.359 -9.600 3.586 28 3HD1 ILE 3 3HD1 ILE 3 -13.171 -8.832 5.162 29 H ASP 4 H ASP 4 -16.925 -11.437 8.251 30 HA ASP 4 HA ASP 4 -17.123 -9.807 10.605 31 1HB ASP 4 1HB ASP 4 -19.482 -10.001 9.100 32 2HB ASP 4 2HB ASP 4 -19.724 -11.085 10.468 33 H GLU 5 H GLU 5 -17.508 -12.947 9.079 34 HA GLU 5 HA GLU 5 -17.813 -14.423 11.574 35 1HB GLU 5 1HB GLU 5 -17.051 -15.284 8.764 36 2HB GLU 5 2HB GLU 5 -17.640 -16.344 10.044 37 1HG GLU 5 1HG GLU 5 -19.485 -14.191 9.834 38 2HG GLU 5 2HG GLU 5 -19.166 -14.759 8.196 39 H GLY 6 H GLY 6 -15.776 -16.476 10.517 40 1HA GLY 6 1HA GLY 6 -13.481 -15.314 11.965 41 2HA GLY 6 2HA GLY 6 -13.666 -17.006 11.518 42 H LYS 7 H LYS 7 -14.149 -14.352 9.232 43 HA LYS 7 HA LYS 7 -12.127 -15.520 7.449 44 1HB LYS 7 1HB LYS 7 -14.445 -13.977 7.232 45 2HB LYS 7 2HB LYS 7 -13.152 -12.862 6.799 46 1HG LYS 7 1HG LYS 7 -12.320 -14.396 5.110 47 2HG LYS 7 2HG LYS 7 -13.476 -15.630 5.609 48 1HD LYS 7 1HD LYS 7 -15.342 -14.163 4.950 49 2HD LYS 7 2HD LYS 7 -14.195 -12.909 4.476 50 1HE LYS 7 1HE LYS 7 -14.602 -13.966 2.418 51 2HE LYS 7 2HE LYS 7 -13.181 -14.864 2.982 52 1HZ LYS 7 1HZ LYS 7 -16.015 -15.619 3.493 53 2HZ LYS 7 2HZ LYS 7 -15.002 -16.359 2.347 54 3HZ LYS 7 3HZ LYS 7 -14.647 -16.488 4.000 55 H TYR 8 H TYR 8 -9.970 -14.946 7.531 56 HA TYR 8 HA TYR 8 -9.273 -12.391 8.953 57 1HB TYR 8 1HB TYR 8 -8.075 -15.128 8.733 58 2HB TYR 8 2HB TYR 8 -6.986 -13.765 8.993 59 HD1 TYR 8 HD1 TYR 8 -10.205 -15.183 10.271 60 HD2 TYR 8 HD2 TYR 8 -6.618 -13.005 11.183 61 HE1 TYR 8 HE1 TYR 8 -10.843 -15.160 12.664 62 HE2 TYR 8 HE2 TYR 8 -7.259 -12.969 13.583 63 HH TYR 8 HH TYR 8 -9.026 -13.283 15.021 64 H GLU 9 H GLU 9 -7.538 -11.114 8.040 65 HA GLU 9 HA GLU 9 -7.043 -11.616 5.119 66 1HB GLU 9 1HB GLU 9 -8.603 -9.711 5.881 67 2HB GLU 9 2HB GLU 9 -7.154 -8.934 6.518 68 1HG GLU 9 1HG GLU 9 -6.209 -9.458 4.097 69 2HG GLU 9 2HG GLU 9 -7.921 -9.483 3.673 70 H CYS 10 H CYS 10 -4.876 -11.743 4.592 71 HA CYS 10 HA CYS 10 -2.832 -11.550 6.642 72 1HB CYS 10 1HB CYS 10 -3.032 -12.959 4.432 73 2HB CYS 10 2HB CYS 10 -2.337 -11.533 3.685 74 H GLU 11 H GLU 11 -2.140 -9.569 7.379 75 HA GLU 11 HA GLU 11 -2.426 -7.116 5.855 76 1HB GLU 11 1HB GLU 11 -1.639 -8.042 8.475 77 2HB GLU 11 2HB GLU 11 -0.466 -6.864 7.888 78 1HG GLU 11 1HG GLU 11 -3.446 -6.377 7.732 79 2HG GLU 11 2HG GLU 11 -2.501 -5.928 9.152 80 H ALA 12 H ALA 12 -0.167 -9.696 5.778 81 HA ALA 12 HA ALA 12 2.143 -8.105 4.926 82 1HB ALA 12 1HB ALA 12 1.441 -10.893 5.612 83 2HB ALA 12 2HB ALA 12 2.716 -10.725 4.405 84 3HB ALA 12 3HB ALA 12 2.898 -9.973 5.991 85 H CYS 13 H CYS 13 -0.219 -10.317 3.318 86 HA CYS 13 HA CYS 13 0.893 -9.292 0.729 87 1HB CYS 13 2HB CYS 13 1.386 -11.699 1.461 88 2HB CYS 13 1HB CYS 13 0.730 -11.487 -0.158 89 H GLY 14 H GLY 14 -2.037 -10.086 2.529 90 1HA GLY 14 1HA GLY 14 -4.056 -8.750 2.052 91 2HA GLY 14 2HA GLY 14 -3.581 -8.737 0.354 92 H TYR 15 H TYR 15 -3.216 -11.721 2.051 93 HA TYR 15 HA TYR 15 -5.215 -13.000 0.327 94 1HB TYR 15 1HB TYR 15 -3.121 -14.116 0.708 95 2HB TYR 15 2HB TYR 15 -3.249 -13.902 2.452 96 HD1 TYR 15 HD1 TYR 15 -4.760 -15.282 3.789 97 HD2 TYR 15 HD2 TYR 15 -4.429 -15.828 -0.458 98 HE1 TYR 15 HE1 TYR 15 -5.937 -17.456 3.978 99 HE2 TYR 15 HE2 TYR 15 -5.606 -18.003 -0.270 100 HH TYR 15 HH TYR 15 -6.923 -19.124 2.831 101 H ILE 16 H ILE 16 -6.969 -14.336 1.253 102 HA ILE 16 HA ILE 16 -7.923 -13.312 3.905 103 HB ILE 16 HB ILE 16 -9.367 -13.936 1.314 104 1HG1 ILE 16 2HG1 ILE 16 -8.941 -11.465 3.006 105 2HG1 ILE 16 1HG1 ILE 16 -10.201 -11.551 1.774 106 1HG2 ILE 16 1HG2 ILE 16 -10.435 -13.572 4.114 107 2HG2 ILE 16 2HG2 ILE 16 -11.413 -13.157 2.706 108 3HG2 ILE 16 3HG2 ILE 16 -10.853 -14.813 2.932 109 1HD1 ILE 16 1HD1 ILE 16 -7.937 -12.520 0.473 110 2HD1 ILE 16 2HD1 ILE 16 -8.617 -10.903 0.298 111 3HD1 ILE 16 3HD1 ILE 16 -7.319 -11.194 1.457 112 H TYR 17 H TYR 17 -7.960 -14.951 5.392 113 HA TYR 17 HA TYR 17 -7.843 -17.761 4.535 114 1HB TYR 17 1HB TYR 17 -6.471 -17.046 6.380 115 2HB TYR 17 2HB TYR 17 -7.848 -16.297 7.190 116 HD1 TYR 17 HD1 TYR 17 -6.638 -19.616 5.931 117 HD2 TYR 17 HD2 TYR 17 -9.075 -17.514 8.776 118 HE1 TYR 17 HE1 TYR 17 -7.130 -21.753 7.090 119 HE2 TYR 17 HE2 TYR 17 -9.567 -19.650 9.934 120 HH TYR 17 HH TYR 17 -9.376 -21.883 9.845 121 H GLU 18 H GLU 18 -9.531 -19.211 4.628 122 HA GLU 18 HA GLU 18 -12.191 -18.177 5.552 123 1HB GLU 18 1HB GLU 18 -11.186 -19.693 3.217 124 2HB GLU 18 2HB GLU 18 -12.697 -20.296 3.897 125 1HG GLU 18 1HG GLU 18 -12.994 -17.511 3.874 126 2HG GLU 18 2HG GLU 18 -12.216 -17.888 2.337 127 HA PRO 19 HA PRO 19 -11.415 -21.514 8.511 128 1HB PRO 19 1HB PRO 19 -13.448 -20.835 10.215 129 2HB PRO 19 2HB PRO 19 -11.863 -20.057 10.227 130 1HG PRO 19 1HG PRO 19 -14.429 -19.088 9.106 131 2HG PRO 19 2HG PRO 19 -13.123 -18.189 9.878 132 1HD PRO 19 1HD PRO 19 -13.541 -18.300 7.160 133 2HD PRO 19 2HD PRO 19 -11.984 -17.923 7.925 134 H GLU 20 H GLU 20 -14.832 -20.629 8.158 135 HA GLU 20 HA GLU 20 -16.057 -23.094 8.418 136 1HB GLU 20 1HB GLU 20 -16.770 -20.558 7.707 137 2HB GLU 20 2HB GLU 20 -17.055 -21.418 6.194 138 1HG GLU 20 1HG GLU 20 -18.671 -22.815 7.139 139 2HG GLU 20 2HG GLU 20 -18.049 -22.594 8.775 140 H LYS 21 H LYS 21 -14.145 -22.008 5.671 141 HA LYS 21 HA LYS 21 -15.024 -24.343 4.053 142 1HB LYS 21 1HB LYS 21 -14.572 -21.749 3.429 143 2HB LYS 21 2HB LYS 21 -12.975 -22.419 3.093 144 1HG LYS 21 1HG LYS 21 -14.522 -24.304 1.914 145 2HG LYS 21 2HG LYS 21 -15.560 -22.894 1.707 146 1HD LYS 21 1HD LYS 21 -14.279 -22.348 -0.070 147 2HD LYS 21 2HD LYS 21 -12.994 -21.970 1.077 148 1HE LYS 21 2HE LYS 21 -12.877 -24.749 0.871 149 2HE LYS 21 1HE LYS 21 -11.812 -23.614 0.021 150 1HZ LYS 21 1HZ LYS 21 -13.643 -23.417 -1.668 151 2HZ LYS 21 2HZ LYS 21 -12.865 -24.923 -1.638 152 3HZ LYS 21 3HZ LYS 21 -14.394 -24.744 -0.921 153 H GLY 22 H GLY 22 -12.067 -22.931 5.444 154 1HA GLY 22 1HA GLY 22 -10.296 -24.300 6.378 155 2HA GLY 22 2HA GLY 22 -10.851 -25.642 5.378 156 H ASP 23 H ASP 23 -8.153 -24.328 5.616 157 HA ASP 23 HA ASP 23 -7.715 -23.039 3.010 158 1HB ASP 23 1HB ASP 23 -6.589 -22.572 5.301 159 2HB ASP 23 2HB ASP 23 -5.638 -24.020 4.972 160 H LYS 24 H LYS 24 -8.717 -25.279 2.190 161 HA LYS 24 HA LYS 24 -7.472 -27.739 2.126 162 1HB LYS 24 1HB LYS 24 -9.294 -26.217 0.554 163 2HB LYS 24 2HB LYS 24 -8.176 -27.008 -0.557 164 1HG LYS 24 1HG LYS 24 -9.661 -28.421 1.679 165 2HG LYS 24 2HG LYS 24 -10.164 -28.424 -0.012 166 1HD LYS 24 1HD LYS 24 -7.896 -29.372 -0.593 167 2HD LYS 24 2HD LYS 24 -7.594 -29.546 1.135 168 1HE LYS 24 1HE LYS 24 -10.072 -30.720 -0.143 169 2HE LYS 24 2HE LYS 24 -8.543 -31.618 -0.082 170 1HZ LYS 24 1HZ LYS 24 -8.503 -30.930 2.357 171 2HZ LYS 24 2HZ LYS 24 -10.148 -30.551 2.169 172 3HZ LYS 24 3HZ LYS 24 -9.612 -32.141 1.924 173 H PHE 25 H PHE 25 -6.276 -24.787 0.621 174 HA PHE 25 HA PHE 25 -4.317 -26.057 -1.099 175 1HB PHE 25 1HB PHE 25 -5.154 -23.377 -0.216 176 2HB PHE 25 2HB PHE 25 -3.426 -23.496 -0.546 177 HD1 PHE 25 HD1 PHE 25 -3.105 -25.285 -2.724 178 HD2 PHE 25 HD2 PHE 25 -6.302 -22.498 -2.041 179 HE1 PHE 25 HE1 PHE 25 -3.567 -25.218 -5.160 180 HE2 PHE 25 HE2 PHE 25 -6.764 -22.432 -4.477 181 HZ PHE 25 HZ PHE 25 -5.396 -23.791 -6.037 182 H ALA 26 H ALA 26 -4.372 -25.023 2.264 183 HA ALA 26 HA ALA 26 -1.455 -25.521 2.567 184 1HB ALA 26 3HB ALA 26 -2.032 -23.593 3.718 185 2HB ALA 26 1HB ALA 26 -3.661 -24.171 4.067 186 3HB ALA 26 2HB ALA 26 -2.292 -24.775 5.000 187 H GLY 27 H GLY 27 -4.585 -26.901 3.358 188 1HA GLY 27 1HA GLY 27 -4.566 -29.394 3.673 189 2HA GLY 27 2HA GLY 27 -3.170 -29.155 4.724 190 H ILE 28 H ILE 28 -5.843 -26.894 4.830 191 HA ILE 28 HA ILE 28 -6.558 -27.988 7.527 192 HB ILE 28 HB ILE 28 -6.595 -25.196 6.345 193 1HG1 ILE 28 1HG1 ILE 28 -5.130 -25.740 8.833 194 2HG1 ILE 28 2HG1 ILE 28 -4.516 -26.638 7.444 195 1HG2 ILE 28 1HG2 ILE 28 -8.510 -25.689 7.927 196 2HG2 ILE 28 2HG2 ILE 28 -7.306 -26.029 9.170 197 3HG2 ILE 28 3HG2 ILE 28 -7.421 -24.413 8.473 198 1HD1 ILE 28 1HD1 ILE 28 -5.152 -23.741 7.068 199 2HD1 ILE 28 2HD1 ILE 28 -3.688 -24.155 7.961 200 3HD1 ILE 28 3HD1 ILE 28 -3.902 -24.722 6.305 201 HA PRO 29 HA PRO 29 -10.455 -28.750 5.404 202 1HB PRO 29 1HB PRO 29 -11.740 -29.874 7.548 203 2HB PRO 29 2HB PRO 29 -10.579 -30.761 6.543 204 1HG PRO 29 2HG PRO 29 -9.580 -31.010 8.608 205 2HG PRO 29 1HG PRO 29 -10.194 -29.460 9.199 206 1HD PRO 29 1HD PRO 29 -8.060 -28.760 8.728 207 2HD PRO 29 2HD PRO 29 -7.808 -30.034 7.516 208 HA PRO 30 HA PRO 30 -13.044 -25.452 6.758 209 1HB PRO 30 1HB PRO 30 -15.573 -26.489 6.718 210 2HB PRO 30 2HB PRO 30 -14.661 -26.113 5.243 211 1HG PRO 30 2HG PRO 30 -15.096 -28.350 4.880 212 2HG PRO 30 1HG PRO 30 -15.077 -28.729 6.609 213 1HD PRO 30 1HD PRO 30 -12.971 -29.499 6.121 214 2HD PRO 30 2HD PRO 30 -12.802 -28.434 4.710 215 H GLY 31 H GLY 31 -15.337 -25.393 8.299 216 1HA GLY 31 1HA GLY 31 -15.947 -25.277 10.568 217 2HA GLY 31 2HA GLY 31 -15.519 -26.986 10.592 218 H THR 32 H THR 32 -13.081 -24.615 9.797 219 HA THR 32 HA THR 32 -11.889 -24.993 12.525 220 HB THR 32 HB THR 32 -10.542 -24.910 9.807 221 HG1 THR 32 HG1 THR 32 -11.615 -26.848 10.182 222 1HG2 THR 32 1HG2 THR 32 -9.429 -25.368 12.590 223 2HG2 THR 32 2HG2 THR 32 -8.515 -25.540 11.091 224 3HG2 THR 32 3HG2 THR 32 -9.130 -23.959 11.572 225 HA PRO 33 HA PRO 33 -12.124 -20.499 12.112 226 1HB PRO 33 1HB PRO 33 -11.490 -19.950 14.718 227 2HB PRO 33 2HB PRO 33 -13.117 -20.427 14.199 228 1HG PRO 33 2HG PRO 33 -12.720 -22.083 15.749 229 2HG PRO 33 1HG PRO 33 -10.973 -22.060 15.472 230 1HD PRO 33 1HD PRO 33 -11.408 -23.931 14.227 231 2HD PRO 33 2HD PRO 33 -13.107 -23.480 13.973 232 H PHE 34 H PHE 34 -10.489 -18.888 11.964 233 HA PHE 34 HA PHE 34 -7.849 -19.628 11.352 234 1HB PHE 34 1HB PHE 34 -8.716 -17.524 10.661 235 2HB PHE 34 2HB PHE 34 -9.187 -17.085 12.296 236 HD1 PHE 34 HD1 PHE 34 -6.352 -17.424 9.950 237 HD2 PHE 34 HD2 PHE 34 -7.580 -16.200 13.879 238 HE1 PHE 34 HE1 PHE 34 -4.177 -16.277 10.272 239 HE2 PHE 34 HE2 PHE 34 -5.406 -15.052 14.202 240 HZ PHE 34 HZ PHE 34 -3.704 -15.091 12.400 241 H VAL 35 H VAL 35 -9.303 -18.938 14.481 242 HA VAL 35 HA VAL 35 -6.850 -18.597 15.962 243 HB VAL 35 HB VAL 35 -8.379 -18.877 17.878 244 1HG1 VAL 35 1HG1 VAL 35 -8.374 -16.814 16.290 245 2HG1 VAL 35 2HG1 VAL 35 -9.932 -17.431 15.739 246 3HG1 VAL 35 3HG1 VAL 35 -9.709 -16.985 17.430 247 1HG2 VAL 35 1HG2 VAL 35 -9.833 -20.446 15.921 248 2HG2 VAL 35 2HG2 VAL 35 -10.048 -20.377 17.669 249 3HG2 VAL 35 3HG2 VAL 35 -10.878 -19.217 16.632 250 H ASP 36 H ASP 36 -8.404 -21.381 14.629 251 HA ASP 36 HA ASP 36 -7.067 -23.227 16.542 252 1HB ASP 36 1HB ASP 36 -9.478 -23.446 15.853 253 2HB ASP 36 2HB ASP 36 -8.928 -23.769 14.209 254 H LEU 37 H LEU 37 -6.377 -21.725 13.574 255 HA LEU 37 HA LEU 37 -5.236 -23.693 11.941 256 1HB LEU 37 1HB LEU 37 -4.546 -20.833 12.603 257 2HB LEU 37 2HB LEU 37 -3.611 -21.727 11.402 258 HG LEU 37 HG LEU 37 -6.619 -21.304 11.350 259 1HD1 LEU 37 1HD1 LEU 37 -4.619 -19.520 10.661 260 2HD1 LEU 37 2HD1 LEU 37 -4.979 -20.312 9.127 261 3HD1 LEU 37 3HD1 LEU 37 -6.263 -19.500 10.023 262 1HD2 LEU 37 1HD2 LEU 37 -4.712 -22.946 9.726 263 2HD2 LEU 37 2HD2 LEU 37 -6.362 -23.316 10.225 264 3HD2 LEU 37 3HD2 LEU 37 -6.074 -22.184 8.904 265 H SER 38 H SER 38 -2.920 -24.292 11.696 266 HA SER 38 HA SER 38 -1.749 -25.498 13.931 267 1HB SER 38 2HB SER 38 0.232 -25.637 12.509 268 2HB SER 38 1HB SER 38 -0.338 -24.281 11.536 269 HG SER 38 HG SER 38 -1.107 -26.924 11.523 270 H ASP 39 H ASP 39 0.072 -24.876 15.280 271 HA ASP 39 HA ASP 39 -0.021 -22.234 16.347 272 1HB ASP 39 1HB ASP 39 1.015 -24.659 17.044 273 2HB ASP 39 2HB ASP 39 2.488 -23.795 16.601 274 H SER 40 H SER 40 1.754 -23.587 13.656 275 HA SER 40 HA SER 40 3.141 -20.949 13.298 276 1HB SER 40 1HB SER 40 4.446 -23.092 14.055 277 2HB SER 40 2HB SER 40 4.251 -23.593 12.375 278 HG SER 40 HG SER 40 5.694 -22.194 11.809 279 H PHE 41 H PHE 41 0.576 -21.725 12.163 280 HA PHE 41 HA PHE 41 0.656 -22.816 9.564 281 1HB PHE 41 1HB PHE 41 -1.423 -22.382 10.652 282 2HB PHE 41 2HB PHE 41 -1.028 -20.697 10.924 283 HD1 PHE 41 HD1 PHE 41 -1.928 -23.201 8.335 284 HD2 PHE 41 HD2 PHE 41 -1.407 -19.034 9.238 285 HE1 PHE 41 HE1 PHE 41 -3.018 -22.599 6.190 286 HE2 PHE 41 HE2 PHE 41 -2.497 -18.432 7.093 287 HZ PHE 41 HZ PHE 41 -3.303 -20.215 5.569 288 H MET 42 H MET 42 1.293 -22.011 7.573 289 HA MET 42 HA MET 42 2.454 -19.244 7.529 290 1HB MET 42 1HB MET 42 3.076 -21.648 5.782 291 2HB MET 42 2HB MET 42 3.966 -20.130 5.832 292 1HG MET 42 1HG MET 42 3.729 -21.235 8.498 293 2HG MET 42 2HG MET 42 4.437 -22.425 7.406 294 1HE MET 42 1HE MET 42 6.034 -21.697 9.667 295 2HE MET 42 2HE MET 42 6.856 -22.517 8.342 296 3HE MET 42 3HE MET 42 7.595 -21.102 9.104 297 H CYS 43 H CYS 43 1.621 -17.830 6.021 298 HA CYS 43 HA CYS 43 -0.862 -18.198 4.763 299 1HB CYS 43 1HB CYS 43 0.469 -16.091 5.207 300 2HB CYS 43 2HB CYS 43 1.435 -16.488 3.788 301 HA PRO 44 HA PRO 44 0.350 -20.851 1.386 302 1HB PRO 44 1HB PRO 44 -2.033 -20.837 0.049 303 2HB PRO 44 2HB PRO 44 -1.757 -21.791 1.518 304 1HG PRO 44 2HG PRO 44 -3.548 -20.553 2.243 305 2HG PRO 44 1HG PRO 44 -3.171 -19.197 1.173 306 1HD PRO 44 1HD PRO 44 -2.310 -18.234 3.048 307 2HD PRO 44 2HD PRO 44 -2.162 -19.791 3.887 308 H ALA 45 H ALA 45 -0.340 -17.540 1.255 309 HA ALA 45 HA ALA 45 0.140 -17.422 -1.695 310 1HB ALA 45 2HB ALA 45 -0.656 -14.934 -0.463 311 2HB ALA 45 3HB ALA 45 -1.511 -15.884 -1.677 312 3HB ALA 45 1HB ALA 45 -1.747 -16.225 0.036 313 H CYS 46 H CYS 46 1.197 -16.148 1.450 314 HA CYS 46 HA CYS 46 3.656 -15.160 0.067 315 1HB CYS 46 2HB CYS 46 1.793 -13.486 0.843 316 2HB CYS 46 1HB CYS 46 3.481 -13.094 1.139 317 H ARG 47 H ARG 47 2.617 -17.468 2.094 318 HA ARG 47 HA ARG 47 3.652 -18.819 3.721 319 1HB ARG 47 1HB ARG 47 5.283 -18.590 1.745 320 2HB ARG 47 2HB ARG 47 6.179 -17.468 2.771 321 1HG ARG 47 1HG ARG 47 5.797 -19.522 4.511 322 2HG ARG 47 2HG ARG 47 5.884 -20.409 2.989 323 1HD ARG 47 1HD ARG 47 7.973 -18.685 2.664 324 2HD ARG 47 2HD ARG 47 8.010 -18.918 4.422 325 HE ARG 47 HE ARG 47 8.131 -21.360 4.008 326 1HH1 ARG 47 1HH1 ARG 47 7.432 -22.463 1.734 327 2HH1 ARG 47 2HH1 ARG 47 8.686 -22.236 0.560 328 1HH2 ARG 47 1HH2 ARG 47 10.229 -19.673 2.313 329 2HH2 ARG 47 2HH2 ARG 47 10.269 -20.657 0.888 330 H SER 48 H SER 48 3.098 -15.784 4.434 331 HA SER 48 HA SER 48 5.160 -15.138 6.389 332 1HB SER 48 1HB SER 48 2.392 -14.158 5.702 333 2HB SER 48 2HB SER 48 3.233 -13.537 7.119 334 HG SER 48 HG SER 48 3.740 -12.228 5.400 335 HA PRO 49 HA PRO 49 3.698 -17.442 9.833 336 1HB PRO 49 1HB PRO 49 3.894 -15.666 11.911 337 2HB PRO 49 2HB PRO 49 5.305 -16.429 11.151 338 1HG PRO 49 2HG PRO 49 5.854 -14.209 10.841 339 2HG PRO 49 1HG PRO 49 4.162 -13.703 10.735 340 1HD PRO 49 1HD PRO 49 4.603 -13.684 8.484 341 2HD PRO 49 2HD PRO 49 5.932 -14.852 8.635 342 H LYS 50 H LYS 50 1.659 -17.945 10.624 343 HA LYS 50 HA LYS 50 -0.688 -16.634 9.884 344 1HB LYS 50 1HB LYS 50 -0.373 -18.929 10.885 345 2HB LYS 50 2HB LYS 50 -0.199 -18.157 12.461 346 1HG LYS 50 1HG LYS 50 -2.475 -17.025 11.904 347 2HG LYS 50 2HG LYS 50 -2.630 -18.294 10.689 348 1HD LYS 50 1HD LYS 50 -2.857 -19.955 12.257 349 2HD LYS 50 2HD LYS 50 -1.795 -19.153 13.413 350 1HE LYS 50 1HE LYS 50 -4.516 -18.011 12.751 351 2HE LYS 50 2HE LYS 50 -4.307 -19.238 14.016 352 1HZ LYS 50 1HZ LYS 50 -2.741 -16.715 13.813 353 2HZ LYS 50 2HZ LYS 50 -4.054 -16.948 14.868 354 3HZ LYS 50 3HZ LYS 50 -2.640 -17.866 15.058 355 H ASN 51 H ASN 51 1.463 -15.819 12.536 356 HA ASN 51 HA ASN 51 -0.348 -14.209 14.068 357 1HB ASN 51 1HB ASN 51 2.157 -15.106 14.381 358 2HB ASN 51 2HB ASN 51 2.544 -13.494 13.780 359 2HD2 ASN 51 2HD2 ASN 51 3.155 -14.231 16.471 360 1HD2 ASN 51 1HD2 ASN 51 2.160 -13.338 17.517 361 H GLN 52 H GLN 52 1.037 -13.738 10.953 362 HA GLN 52 HA GLN 52 0.918 -10.799 11.022 363 1HB GLN 52 1HB GLN 52 2.162 -12.847 9.518 364 2HB GLN 52 2HB GLN 52 1.082 -12.014 8.399 365 1HG GLN 52 1HG GLN 52 3.122 -10.656 10.190 366 2HG GLN 52 2HG GLN 52 3.332 -10.963 8.466 367 2HE2 GLN 52 2HE2 GLN 52 0.870 -10.272 7.391 368 1HE2 GLN 52 1HE2 GLN 52 0.518 -8.644 7.712 369 H PHE 53 H PHE 53 -1.399 -13.243 10.782 370 HA PHE 53 HA PHE 53 -3.067 -12.010 8.699 371 1HB PHE 53 1HB PHE 53 -3.316 -14.270 10.684 372 2HB PHE 53 2HB PHE 53 -4.695 -13.762 9.715 373 HD1 PHE 53 HD1 PHE 53 -1.030 -14.415 9.187 374 HD2 PHE 53 HD2 PHE 53 -5.043 -14.929 7.746 375 HE1 PHE 53 HE1 PHE 53 -0.172 -15.717 7.258 376 HE2 PHE 53 HE2 PHE 53 -4.187 -16.230 5.819 377 HZ PHE 53 HZ PHE 53 -1.751 -16.624 5.573 378 H LYS 54 H LYS 54 -4.640 -10.481 9.058 379 HA LYS 54 HA LYS 54 -5.304 -9.818 11.908 380 1HB LYS 54 1HB LYS 54 -4.499 -8.261 9.546 381 2HB LYS 54 2HB LYS 54 -5.930 -7.613 10.347 382 1HG LYS 54 1HG LYS 54 -4.023 -8.392 12.349 383 2HG LYS 54 2HG LYS 54 -3.215 -7.366 11.164 384 1HD LYS 54 1HD LYS 54 -5.211 -5.782 11.386 385 2HD LYS 54 2HD LYS 54 -5.683 -6.732 12.795 386 1HE LYS 54 1HE LYS 54 -3.951 -5.922 14.077 387 2HE LYS 54 2HE LYS 54 -2.839 -5.837 12.697 388 1HZ LYS 54 1HZ LYS 54 -4.249 -4.004 11.826 389 2HZ LYS 54 2HZ LYS 54 -5.122 -4.019 13.279 390 3HZ LYS 54 3HZ LYS 54 -3.472 -3.615 13.286 391 H SER 55 H SER 55 -7.379 -10.386 12.394 392 HA SER 55 HA SER 55 -9.303 -11.417 10.637 393 1HB SER 55 1HB SER 55 -9.655 -11.738 12.928 394 2HB SER 55 2HB SER 55 -9.356 -10.047 13.306 395 HG SER 55 HG SER 55 -11.670 -11.300 12.574 396 H ILE 56 H ILE 56 -11.589 -10.215 10.517 397 HA ILE 56 HA ILE 56 -11.404 -7.342 9.886 398 HB ILE 56 HB ILE 56 -10.464 -8.355 7.883 399 1HG1 ILE 56 1HG1 ILE 56 -13.276 -7.941 6.979 400 2HG1 ILE 56 2HG1 ILE 56 -12.499 -6.608 7.833 401 1HG2 ILE 56 1HG2 ILE 56 -12.469 -10.386 8.473 402 2HG2 ILE 56 2HG2 ILE 56 -12.516 -9.894 6.782 403 3HG2 ILE 56 3HG2 ILE 56 -11.018 -10.505 7.479 404 1HD1 ILE 56 1HD1 ILE 56 -11.071 -8.021 5.588 405 2HD1 ILE 56 2HD1 ILE 56 -12.239 -6.746 5.242 406 3HD1 ILE 56 3HD1 ILE 56 -10.810 -6.393 6.212 407 H LYS 57 H LYS 57 -13.129 -7.192 11.434 408 HA LYS 57 HA LYS 57 -15.679 -8.572 10.728 409 1HB LYS 57 1HB LYS 57 -14.571 -7.260 13.222 410 2HB LYS 57 2HB LYS 57 -16.247 -7.797 13.099 411 1HG LYS 57 1HG LYS 57 -14.925 -10.012 12.197 412 2HG LYS 57 2HG LYS 57 -13.771 -9.390 13.377 413 1HD LYS 57 1HD LYS 57 -16.164 -9.115 14.712 414 2HD LYS 57 2HD LYS 57 -16.419 -10.604 13.803 415 1HE LYS 57 1HE LYS 57 -13.965 -11.160 14.694 416 2HE LYS 57 2HE LYS 57 -14.437 -10.026 15.975 417 1HZ LYS 57 1HZ LYS 57 -16.541 -11.275 16.177 418 2HZ LYS 57 2HZ LYS 57 -15.968 -12.407 15.051 419 3HZ LYS 57 3HZ LYS 57 -15.188 -12.233 16.551 420 H LYS 58 H LYS 58 -15.613 -6.778 8.916 421 HA LYS 58 HA LYS 58 -16.991 -4.339 9.993 422 1HB LYS 58 1HB LYS 58 -14.893 -4.707 7.849 423 2HB LYS 58 2HB LYS 58 -15.885 -3.251 7.930 424 1HG LYS 58 1HG LYS 58 -15.118 -3.395 10.511 425 2HG LYS 58 2HG LYS 58 -13.732 -4.185 9.761 426 1HD LYS 58 1HD LYS 58 -14.777 -1.607 8.620 427 2HD LYS 58 2HD LYS 58 -13.725 -1.575 10.035 428 1HE LYS 58 1HE LYS 58 -12.030 -1.615 8.495 429 2HE LYS 58 2HE LYS 58 -12.404 -3.345 8.370 430 1HZ LYS 58 1HZ LYS 58 -13.874 -1.264 6.846 431 2HZ LYS 58 2HZ LYS 58 -12.499 -2.042 6.222 432 3HZ LYS 58 3HZ LYS 58 -13.891 -2.942 6.597 433 H VAL 59 H VAL 59 -18.866 -3.732 8.884 434 HA VAL 59 HA VAL 59 -19.615 -5.379 6.488 435 HB VAL 59 HB VAL 59 -21.299 -4.472 8.847 436 1HG1 VAL 59 1HG1 VAL 59 -22.172 -4.828 6.269 437 2HG1 VAL 59 2HG1 VAL 59 -22.373 -6.447 6.936 438 3HG1 VAL 59 3HG1 VAL 59 -23.171 -5.074 7.701 439 1HG2 VAL 59 1HG2 VAL 59 -19.578 -6.579 8.758 440 2HG2 VAL 59 2HG2 VAL 59 -21.066 -6.577 9.706 441 3HG2 VAL 59 3HG2 VAL 59 -21.037 -7.331 8.113 442 H ILE 60 H ILE 60 -20.550 -4.211 4.800 443 HA ILE 60 HA ILE 60 -21.439 -1.419 5.262 444 HB ILE 60 HB ILE 60 -19.011 -1.295 4.889 445 1HG1 ILE 60 2HG1 ILE 60 -20.901 -0.329 2.771 446 2HG1 ILE 60 1HG1 ILE 60 -19.171 -0.085 2.537 447 1HG2 ILE 60 1HG2 ILE 60 -19.516 -3.472 3.168 448 2HG2 ILE 60 2HG2 ILE 60 -18.963 -2.160 2.128 449 3HG2 ILE 60 3HG2 ILE 60 -17.960 -2.699 3.475 450 1HD1 ILE 60 1HD1 ILE 60 -20.442 0.645 5.163 451 2HD1 ILE 60 2HD1 ILE 60 -18.980 1.293 4.420 452 3HD1 ILE 60 3HD1 ILE 60 -20.564 1.749 3.794 453 H ALA 61 H ALA 61 -23.456 -1.571 4.331 454 HA ALA 61 HA ALA 61 -23.605 -2.537 1.510 455 1HB ALA 61 2HB ALA 61 -25.931 -3.482 2.635 456 2HB ALA 61 3HB ALA 61 -24.479 -4.451 2.389 457 3HB ALA 61 1HB ALA 61 -24.781 -3.699 3.955 458 H GLY 62 H GLY 62 -23.631 0.041 1.641 459 1HA GLY 62 1HA GLY 62 -25.033 1.822 0.916 460 2HA GLY 62 2HA GLY 62 -26.442 0.827 1.289 461 H PHE 63 H PHE 63 -24.139 3.125 2.571 462 HA PHE 63 HA PHE 63 -25.767 3.258 5.090 463 1HB PHE 63 1HB PHE 63 -23.465 2.294 5.320 464 2HB PHE 63 2HB PHE 63 -22.807 3.806 4.694 465 HD1 PHE 63 HD1 PHE 63 -25.364 2.758 7.245 466 HD2 PHE 63 HD2 PHE 63 -22.029 5.295 6.297 467 HE1 PHE 63 HE1 PHE 63 -25.475 3.752 9.515 468 HE2 PHE 63 HE2 PHE 63 -22.140 6.288 8.566 469 HZ PHE 63 HZ PHE 63 -23.862 5.517 10.175 470 H ALA 64 H ALA 64 -25.964 4.778 2.477 471 HA ALA 64 HA ALA 64 -25.229 7.523 3.408 472 1HB ALA 64 1HB ALA 64 -25.923 6.306 0.718 473 2HB ALA 64 3HB ALA 64 -24.340 6.874 1.253 474 3HB ALA 64 2HB ALA 64 -25.638 8.030 0.959 475 H GLU 65 H GLU 65 -27.812 6.437 1.209 476 HA GLU 65 HA GLU 65 -29.746 8.035 2.845 477 1HB GLU 65 1HB GLU 65 -29.641 7.202 -0.069 478 2HB GLU 65 2HB GLU 65 -31.001 8.065 0.651 479 1HG GLU 65 1HG GLU 65 -29.429 9.876 1.349 480 2HG GLU 65 2HG GLU 65 -28.128 9.030 0.512 481 H ASN 66 H ASN 66 -30.252 5.412 0.478 482 HA ASN 66 HA ASN 66 -31.181 3.519 2.505 483 1HB ASN 66 1HB ASN 66 -32.911 5.545 1.791 484 2HB ASN 66 2HB ASN 66 -33.393 4.246 0.701 485 2HD2 ASN 66 2HD2 ASN 66 -33.408 5.309 4.032 486 1HD2 ASN 66 1HD2 ASN 66 -34.223 3.963 4.667 487 H GLN 67 H GLN 67 -31.910 4.348 -0.913 488 HA GLN 67 HA GLN 67 -31.818 1.564 -1.757 489 1HB GLN 67 1HB GLN 67 -33.159 3.505 -2.727 490 2HB GLN 67 2HB GLN 67 -31.649 4.086 -3.430 491 1HG GLN 67 2HG GLN 67 -31.387 1.834 -4.529 492 2HG GLN 67 1HG GLN 67 -32.781 2.749 -5.101 493 2HE2 GLN 67 2HE2 GLN 67 -32.380 -0.251 -4.990 494 1HE2 GLN 67 1HE2 GLN 67 -33.688 -0.837 -4.079 495 H LYS 68 H LYS 68 -30.074 0.459 -2.636 496 HA LYS 68 HA LYS 68 -27.397 1.304 -2.192 497 1HB LYS 68 1HB LYS 68 -28.714 -0.983 -2.912 498 2HB LYS 68 2HB LYS 68 -27.916 -0.565 -4.429 499 1HG LYS 68 1HG LYS 68 -26.245 -0.327 -1.990 500 2HG LYS 68 2HG LYS 68 -26.703 -1.969 -2.445 501 1HD LYS 68 1HD LYS 68 -25.638 -0.058 -4.516 502 2HD LYS 68 2HD LYS 68 -24.529 -0.944 -3.470 503 1HE LYS 68 1HE LYS 68 -26.365 -2.884 -4.332 504 2HE LYS 68 2HE LYS 68 -26.027 -1.908 -5.774 505 1HZ LYS 68 1HZ LYS 68 -23.660 -2.086 -5.287 506 2HZ LYS 68 2HZ LYS 68 -23.988 -3.032 -3.918 507 3HZ LYS 68 3HZ LYS 68 -24.342 -3.632 -5.467 508 H TYR 69 H TYR 69 -29.134 1.073 -5.330 509 HA TYR 69 HA TYR 69 -27.145 2.322 -6.922 510 1HB TYR 69 1HB TYR 69 -30.154 2.066 -7.076 511 2HB TYR 69 2HB TYR 69 -29.224 2.826 -8.368 512 HD1 TYR 69 HD1 TYR 69 -27.294 1.501 -9.410 513 HD2 TYR 69 HD2 TYR 69 -30.295 -0.290 -6.914 514 HE1 TYR 69 HE1 TYR 69 -26.704 -0.735 -10.306 515 HE2 TYR 69 HE2 TYR 69 -29.706 -2.526 -7.810 516 HH TYR 69 HH TYR 69 -27.725 -2.938 -10.565 517 H GLY 70 H GLY 70 -28.015 4.542 -8.135 518 1HA GLY 70 1HA GLY 70 -28.733 6.511 -6.016 519 2HA GLY 70 2HA GLY 70 -27.294 6.788 -6.997 No H/Q in entry = 519 Start of MODEL 11 1 H1 MET 1 1H MET 1 -18.257 -3.203 2.539 2 H2 MET 1 2H MET 1 -18.651 -3.265 0.887 3 H3 MET 1 3H MET 1 -19.851 -3.529 2.059 4 HA MET 1 HA MET 1 -19.189 -5.641 1.105 5 1HB MET 1 1HB MET 1 -16.516 -4.437 1.800 6 2HB MET 1 2HB MET 1 -16.684 -6.185 1.636 7 1HG MET 1 1HG MET 1 -17.921 -5.516 -0.614 8 2HG MET 1 2HG MET 1 -16.963 -4.045 -0.443 9 1HE MET 1 1HE MET 1 -15.801 -4.484 -2.676 10 2HE MET 1 2HE MET 1 -14.797 -3.781 -1.410 11 3HE MET 1 3HE MET 1 -14.137 -5.029 -2.478 12 H GLU 2 H GLU 2 -20.469 -6.515 2.756 13 HA GLU 2 HA GLU 2 -19.714 -6.307 5.577 14 1HB GLU 2 1HB GLU 2 -22.045 -6.468 4.393 15 2HB GLU 2 2HB GLU 2 -21.735 -8.204 4.393 16 1HG GLU 2 1HG GLU 2 -21.066 -7.348 6.982 17 2HG GLU 2 2HG GLU 2 -22.557 -6.492 6.589 18 H ILE 3 H ILE 3 -18.015 -7.547 6.315 19 HA ILE 3 HA ILE 3 -18.027 -10.450 5.666 20 HB ILE 3 HB ILE 3 -15.552 -10.255 5.167 21 1HG1 ILE 3 1HG1 ILE 3 -16.258 -7.301 5.098 22 2HG1 ILE 3 2HG1 ILE 3 -15.156 -8.078 6.234 23 1HG2 ILE 3 1HG2 ILE 3 -17.503 -10.288 3.462 24 2HG2 ILE 3 2HG2 ILE 3 -17.181 -8.566 3.269 25 3HG2 ILE 3 3HG2 ILE 3 -15.926 -9.745 2.888 26 1HD1 ILE 3 1HD1 ILE 3 -14.033 -8.912 3.942 27 2HD1 ILE 3 2HD1 ILE 3 -14.756 -7.414 3.357 28 3HD1 ILE 3 3HD1 ILE 3 -13.603 -7.375 4.690 29 H ASP 4 H ASP 4 -17.854 -11.482 7.581 30 HA ASP 4 HA ASP 4 -15.876 -10.630 9.603 31 1HB ASP 4 1HB ASP 4 -17.834 -9.187 9.976 32 2HB ASP 4 2HB ASP 4 -18.862 -10.618 10.061 33 H GLU 5 H GLU 5 -17.135 -13.080 7.968 34 HA GLU 5 HA GLU 5 -17.808 -14.995 10.057 35 1HB GLU 5 1HB GLU 5 -17.801 -16.550 8.104 36 2HB GLU 5 2HB GLU 5 -18.739 -15.091 7.792 37 1HG GLU 5 1HG GLU 5 -17.291 -14.354 6.195 38 2HG GLU 5 2HG GLU 5 -15.874 -14.883 7.101 39 H GLY 6 H GLY 6 -15.610 -14.370 11.194 40 1HA GLY 6 1HA GLY 6 -13.412 -14.965 11.773 41 2HA GLY 6 2HA GLY 6 -13.877 -16.565 11.202 42 H LYS 7 H LYS 7 -13.874 -13.798 9.045 43 HA LYS 7 HA LYS 7 -11.923 -15.152 7.306 44 1HB LYS 7 1HB LYS 7 -14.091 -13.831 6.716 45 2HB LYS 7 2HB LYS 7 -13.094 -12.394 6.943 46 1HG LYS 7 1HG LYS 7 -12.192 -12.675 4.899 47 2HG LYS 7 2HG LYS 7 -11.636 -14.286 5.350 48 1HD LYS 7 1HD LYS 7 -13.064 -14.716 3.530 49 2HD LYS 7 2HD LYS 7 -14.106 -15.002 4.924 50 1HE LYS 7 1HE LYS 7 -15.429 -13.197 4.445 51 2HE LYS 7 2HE LYS 7 -14.043 -12.191 3.984 52 1HZ LYS 7 1HZ LYS 7 -15.140 -14.445 2.375 53 2HZ LYS 7 2HZ LYS 7 -15.426 -12.800 2.057 54 3HZ LYS 7 3HZ LYS 7 -13.855 -13.428 1.928 55 H TYR 8 H TYR 8 -9.750 -14.672 7.275 56 HA TYR 8 HA TYR 8 -8.863 -12.208 8.745 57 1HB TYR 8 1HB TYR 8 -7.816 -15.017 8.501 58 2HB TYR 8 2HB TYR 8 -6.706 -13.708 8.898 59 HD1 TYR 8 HD1 TYR 8 -10.017 -15.138 9.900 60 HD2 TYR 8 HD2 TYR 8 -6.495 -13.006 11.126 61 HE1 TYR 8 HE1 TYR 8 -10.804 -15.199 12.250 62 HE2 TYR 8 HE2 TYR 8 -7.287 -13.057 13.478 63 HH TYR 8 HH TYR 8 -9.795 -13.277 14.571 64 H GLU 9 H GLU 9 -7.188 -10.960 7.777 65 HA GLU 9 HA GLU 9 -6.630 -11.614 4.901 66 1HB GLU 9 1HB GLU 9 -8.099 -9.687 5.199 67 2HB GLU 9 2HB GLU 9 -6.976 -8.973 6.358 68 1HG GLU 9 1HG GLU 9 -5.724 -9.666 3.791 69 2HG GLU 9 2HG GLU 9 -6.999 -8.457 3.642 70 H CYS 10 H CYS 10 -4.482 -11.852 4.404 71 HA CYS 10 HA CYS 10 -2.428 -11.627 6.452 72 1HB CYS 10 1HB CYS 10 -2.669 -13.156 4.338 73 2HB CYS 10 2HB CYS 10 -1.962 -11.793 3.490 74 H GLU 11 H GLU 11 -1.661 -9.618 7.078 75 HA GLU 11 HA GLU 11 -1.879 -7.252 5.411 76 1HB GLU 11 1HB GLU 11 -1.171 -8.016 8.075 77 2HB GLU 11 2HB GLU 11 0.130 -7.014 7.436 78 1HG GLU 11 1HG GLU 11 -1.302 -5.185 7.044 79 2HG GLU 11 2HG GLU 11 -2.750 -6.192 7.094 80 H ALA 12 H ALA 12 0.284 -9.900 5.432 81 HA ALA 12 HA ALA 12 2.644 -8.431 4.501 82 1HB ALA 12 1HB ALA 12 1.866 -11.319 4.911 83 2HB ALA 12 2HB ALA 12 3.424 -10.867 4.219 84 3HB ALA 12 3HB ALA 12 3.002 -10.352 5.852 85 H CYS 13 H CYS 13 0.213 -10.646 3.003 86 HA CYS 13 HA CYS 13 1.313 -9.748 0.363 87 1HB CYS 13 2HB CYS 13 1.726 -12.137 1.156 88 2HB CYS 13 1HB CYS 13 1.000 -11.974 -0.439 89 H GLY 14 H GLY 14 -1.613 -10.439 2.220 90 1HA GLY 14 1HA GLY 14 -3.593 -9.028 1.771 91 2HA GLY 14 2HA GLY 14 -3.150 -9.047 0.065 92 H TYR 15 H TYR 15 -2.878 -11.987 1.877 93 HA TYR 15 HA TYR 15 -4.868 -13.289 0.162 94 1HB TYR 15 1HB TYR 15 -2.805 -14.431 0.697 95 2HB TYR 15 2HB TYR 15 -3.039 -14.159 2.423 96 HD1 TYR 15 HD1 TYR 15 -4.676 -15.457 3.697 97 HD2 TYR 15 HD2 TYR 15 -4.095 -16.130 -0.505 98 HE1 TYR 15 HE1 TYR 15 -5.939 -17.585 3.864 99 HE2 TYR 15 HE2 TYR 15 -5.357 -18.259 -0.338 100 HH TYR 15 HH TYR 15 -7.370 -19.032 1.878 101 H ILE 16 H ILE 16 -6.704 -14.499 1.101 102 HA ILE 16 HA ILE 16 -7.661 -13.317 3.686 103 HB ILE 16 HB ILE 16 -9.143 -14.015 1.132 104 1HG1 ILE 16 1HG1 ILE 16 -7.831 -11.919 1.098 105 2HG1 ILE 16 2HG1 ILE 16 -9.564 -11.601 1.030 106 1HG2 ILE 16 1HG2 ILE 16 -10.116 -14.050 3.774 107 2HG2 ILE 16 2HG2 ILE 16 -10.659 -12.516 3.095 108 3HG2 ILE 16 3HG2 ILE 16 -11.074 -14.032 2.294 109 1HD1 ILE 16 1HD1 ILE 16 -9.351 -11.452 3.650 110 2HD1 ILE 16 2HD1 ILE 16 -7.643 -11.187 3.306 111 3HD1 ILE 16 3HD1 ILE 16 -8.852 -10.080 2.662 112 H TYR 17 H TYR 17 -7.685 -14.932 5.183 113 HA TYR 17 HA TYR 17 -7.819 -17.758 4.411 114 1HB TYR 17 1HB TYR 17 -6.390 -17.036 6.232 115 2HB TYR 17 2HB TYR 17 -7.745 -16.257 7.043 116 HD1 TYR 17 HD1 TYR 17 -6.397 -19.556 5.963 117 HD2 TYR 17 HD2 TYR 17 -9.216 -17.490 8.463 118 HE1 TYR 17 HE1 TYR 17 -6.931 -21.681 7.124 119 HE2 TYR 17 HE2 TYR 17 -9.751 -19.615 9.621 120 HH TYR 17 HH TYR 17 -9.342 -22.425 8.583 121 H GLU 18 H GLU 18 -9.625 -19.048 4.486 122 HA GLU 18 HA GLU 18 -12.171 -17.812 5.472 123 1HB GLU 18 1HB GLU 18 -11.463 -19.715 3.235 124 2HB GLU 18 2HB GLU 18 -13.124 -19.552 3.809 125 1HG GLU 18 1HG GLU 18 -12.456 -16.934 3.535 126 2HG GLU 18 2HG GLU 18 -11.456 -17.641 2.266 127 HA PRO 19 HA PRO 19 -11.643 -21.160 8.445 128 1HB PRO 19 1HB PRO 19 -13.790 -20.476 10.008 129 2HB PRO 19 2HB PRO 19 -12.205 -19.703 10.120 130 1HG PRO 19 1HG PRO 19 -14.679 -18.741 8.788 131 2HG PRO 19 2HG PRO 19 -13.458 -17.841 9.693 132 1HD PRO 19 1HD PRO 19 -13.587 -17.885 6.964 133 2HD PRO 19 2HD PRO 19 -12.088 -17.615 7.878 134 H GLU 20 H GLU 20 -15.057 -20.342 7.920 135 HA GLU 20 HA GLU 20 -16.260 -22.810 8.106 136 1HB GLU 20 1HB GLU 20 -17.176 -20.455 7.560 137 2HB GLU 20 2HB GLU 20 -16.913 -20.889 5.871 138 1HG GLU 20 2HG GLU 20 -18.195 -23.123 6.929 139 2HG GLU 20 1HG GLU 20 -18.951 -21.869 5.946 140 H LYS 21 H LYS 21 -14.238 -21.709 5.440 141 HA LYS 21 HA LYS 21 -14.918 -24.117 3.834 142 1HB LYS 21 1HB LYS 21 -14.750 -21.728 2.940 143 2HB LYS 21 2HB LYS 21 -13.010 -21.850 3.203 144 1HG LYS 21 2HG LYS 21 -13.629 -24.207 1.864 145 2HG LYS 21 1HG LYS 21 -12.906 -22.772 1.139 146 1HD LYS 21 1HD LYS 21 -15.846 -23.487 1.269 147 2HD LYS 21 2HD LYS 21 -15.261 -21.894 0.788 148 1HE LYS 21 1HE LYS 21 -13.741 -23.319 -0.870 149 2HE LYS 21 2HE LYS 21 -15.039 -24.510 -0.661 150 1HZ LYS 21 1HZ LYS 21 -15.652 -21.657 -1.139 151 2HZ LYS 21 2HZ LYS 21 -15.331 -22.695 -2.445 152 3HZ LYS 21 3HZ LYS 21 -16.636 -23.015 -1.410 153 H GLY 22 H GLY 22 -12.341 -22.769 5.804 154 1HA GLY 22 1HA GLY 22 -10.535 -23.985 6.760 155 2HA GLY 22 2HA GLY 22 -10.954 -25.359 5.737 156 H ASP 23 H ASP 23 -8.293 -24.406 6.071 157 HA ASP 23 HA ASP 23 -7.579 -22.815 3.702 158 1HB ASP 23 1HB ASP 23 -6.516 -23.343 6.226 159 2HB ASP 23 2HB ASP 23 -5.444 -24.217 5.132 160 H LYS 24 H LYS 24 -8.854 -24.841 2.585 161 HA LYS 24 HA LYS 24 -7.763 -27.364 2.181 162 1HB LYS 24 1HB LYS 24 -9.451 -25.457 0.765 163 2HB LYS 24 2HB LYS 24 -8.548 -26.475 -0.356 164 1HG LYS 24 1HG LYS 24 -9.298 -28.430 1.211 165 2HG LYS 24 2HG LYS 24 -10.524 -27.289 1.765 166 1HD LYS 24 1HD LYS 24 -10.930 -26.929 -0.815 167 2HD LYS 24 2HD LYS 24 -10.161 -28.511 -0.955 168 1HE LYS 24 1HE LYS 24 -12.398 -28.083 1.027 169 2HE LYS 24 2HE LYS 24 -12.752 -28.446 -0.672 170 1HZ LYS 24 1HZ LYS 24 -11.236 -30.348 -0.515 171 2HZ LYS 24 2HZ LYS 24 -10.976 -30.016 1.131 172 3HZ LYS 24 3HZ LYS 24 -12.514 -30.493 0.591 173 H PHE 25 H PHE 25 -6.475 -24.293 1.067 174 HA PHE 25 HA PHE 25 -4.626 -25.424 -0.880 175 1HB PHE 25 1HB PHE 25 -4.836 -22.770 0.574 176 2HB PHE 25 2HB PHE 25 -3.691 -23.082 -0.731 177 HD1 PHE 25 HD1 PHE 25 -4.691 -24.012 -2.959 178 HD2 PHE 25 HD2 PHE 25 -7.001 -22.026 0.070 179 HE1 PHE 25 HE1 PHE 25 -6.460 -23.524 -4.628 180 HE2 PHE 25 HE2 PHE 25 -8.769 -21.536 -1.600 181 HZ PHE 25 HZ PHE 25 -8.498 -22.286 -3.949 182 H ALA 26 H ALA 26 -4.563 -24.742 2.570 183 HA ALA 26 HA ALA 26 -1.639 -25.276 2.717 184 1HB ALA 26 3HB ALA 26 -1.953 -23.598 4.216 185 2HB ALA 26 1HB ALA 26 -3.698 -23.852 4.239 186 3HB ALA 26 2HB ALA 26 -2.651 -24.826 5.271 187 H GLY 27 H GLY 27 -4.747 -26.719 3.491 188 1HA GLY 27 1HA GLY 27 -4.662 -29.251 3.552 189 2HA GLY 27 2HA GLY 27 -3.298 -29.066 4.653 190 H ILE 28 H ILE 28 -5.970 -26.842 4.953 191 HA ILE 28 HA ILE 28 -6.744 -28.228 7.491 192 HB ILE 28 HB ILE 28 -6.717 -25.341 6.575 193 1HG1 ILE 28 1HG1 ILE 28 -5.513 -26.079 9.141 194 2HG1 ILE 28 2HG1 ILE 28 -4.781 -26.911 7.769 195 1HG2 ILE 28 1HG2 ILE 28 -7.832 -26.491 9.153 196 2HG2 ILE 28 2HG2 ILE 28 -7.632 -24.773 8.807 197 3HG2 ILE 28 3HG2 ILE 28 -8.777 -25.733 7.870 198 1HD1 ILE 28 1HD1 ILE 28 -5.284 -23.928 7.774 199 2HD1 ILE 28 2HD1 ILE 28 -3.780 -24.632 8.367 200 3HD1 ILE 28 3HD1 ILE 28 -4.251 -24.851 6.682 201 HA PRO 29 HA PRO 29 -10.623 -28.806 5.346 202 1HB PRO 29 1HB PRO 29 -12.015 -29.901 7.431 203 2HB PRO 29 2HB PRO 29 -10.826 -30.811 6.481 204 1HG PRO 29 1HG PRO 29 -10.563 -29.559 9.168 205 2HG PRO 29 2HG PRO 29 -9.890 -31.078 8.561 206 1HD PRO 29 1HD PRO 29 -8.465 -28.742 8.816 207 2HD PRO 29 2HD PRO 29 -8.048 -30.048 7.687 208 HA PRO 30 HA PRO 30 -13.186 -25.440 6.600 209 1HB PRO 30 1HB PRO 30 -15.735 -26.408 6.418 210 2HB PRO 30 2HB PRO 30 -14.737 -26.053 4.995 211 1HG PRO 30 2HG PRO 30 -15.214 -28.276 4.600 212 2HG PRO 30 1HG PRO 30 -15.297 -28.661 6.325 213 1HD PRO 30 1HD PRO 30 -13.188 -29.487 5.951 214 2HD PRO 30 2HD PRO 30 -12.918 -28.431 4.550 215 H GLY 31 H GLY 31 -15.556 -25.331 8.020 216 1HA GLY 31 1HA GLY 31 -16.292 -25.235 10.255 217 2HA GLY 31 2HA GLY 31 -15.890 -26.952 10.284 218 H THR 32 H THR 32 -13.527 -24.393 9.729 219 HA THR 32 HA THR 32 -12.439 -24.830 12.480 220 HB THR 32 HB THR 32 -10.939 -24.941 9.844 221 HG1 THR 32 HG1 THR 32 -11.788 -26.883 10.029 222 1HG2 THR 32 1HG2 THR 32 -9.962 -24.118 12.277 223 2HG2 THR 32 2HG2 THR 32 -9.631 -25.850 12.317 224 3HG2 THR 32 3HG2 THR 32 -8.993 -24.860 11.004 225 HA PRO 33 HA PRO 33 -12.335 -20.379 11.919 226 1HB PRO 33 1HB PRO 33 -11.621 -19.752 14.481 227 2HB PRO 33 2HB PRO 33 -13.276 -20.187 14.021 228 1HG PRO 33 1HG PRO 33 -11.188 -21.812 15.369 229 2HG PRO 33 2HG PRO 33 -12.941 -21.810 15.600 230 1HD PRO 33 1HD PRO 33 -11.537 -23.698 14.151 231 2HD PRO 33 2HD PRO 33 -13.268 -23.356 13.962 232 H PHE 34 H PHE 34 -10.642 -18.811 11.737 233 HA PHE 34 HA PHE 34 -8.053 -19.677 11.064 234 1HB PHE 34 1HB PHE 34 -8.821 -17.529 10.384 235 2HB PHE 34 2HB PHE 34 -9.253 -17.073 12.020 236 HD1 PHE 34 HD1 PHE 34 -6.480 -17.495 9.626 237 HD2 PHE 34 HD2 PHE 34 -7.569 -16.305 13.607 238 HE1 PHE 34 HE1 PHE 34 -4.248 -16.457 9.927 239 HE2 PHE 34 HE2 PHE 34 -5.337 -15.268 13.909 240 HZ PHE 34 HZ PHE 34 -3.676 -15.343 12.068 241 H VAL 35 H VAL 35 -9.359 -18.760 14.221 242 HA VAL 35 HA VAL 35 -6.888 -18.576 15.658 243 HB VAL 35 HB VAL 35 -8.399 -18.862 17.607 244 1HG1 VAL 35 1HG1 VAL 35 -8.298 -16.700 16.332 245 2HG1 VAL 35 2HG1 VAL 35 -9.700 -17.234 15.405 246 3HG1 VAL 35 3HG1 VAL 35 -9.842 -16.964 17.142 247 1HG2 VAL 35 1HG2 VAL 35 -10.001 -20.205 15.556 248 2HG2 VAL 35 2HG2 VAL 35 -10.086 -20.344 17.311 249 3HG2 VAL 35 3HG2 VAL 35 -10.933 -19.033 16.489 250 H ASP 36 H ASP 36 -8.543 -21.304 14.341 251 HA ASP 36 HA ASP 36 -7.464 -23.247 16.270 252 1HB ASP 36 1HB ASP 36 -9.562 -23.079 14.407 253 2HB ASP 36 2HB ASP 36 -8.471 -24.302 13.756 254 H LEU 37 H LEU 37 -6.434 -21.751 13.310 255 HA LEU 37 HA LEU 37 -4.833 -23.702 12.081 256 1HB LEU 37 1HB LEU 37 -4.380 -20.738 12.548 257 2HB LEU 37 2HB LEU 37 -3.472 -21.698 11.380 258 HG LEU 37 HG LEU 37 -6.477 -21.273 11.392 259 1HD1 LEU 37 1HD1 LEU 37 -4.923 -19.378 10.628 260 2HD1 LEU 37 2HD1 LEU 37 -4.466 -20.440 9.295 261 3HD1 LEU 37 3HD1 LEU 37 -6.140 -19.912 9.469 262 1HD2 LEU 37 1HD2 LEU 37 -4.748 -23.265 10.111 263 2HD2 LEU 37 2HD2 LEU 37 -6.504 -23.241 10.272 264 3HD2 LEU 37 3HD2 LEU 37 -5.727 -22.363 8.955 265 H SER 38 H SER 38 -2.700 -24.451 12.440 266 HA SER 38 HA SER 38 -1.756 -24.886 15.036 267 1HB SER 38 1HB SER 38 -1.060 -25.640 12.549 268 2HB SER 38 2HB SER 38 0.230 -24.476 12.849 269 HG SER 38 HG SER 38 -0.378 -26.863 14.186 270 H ASP 39 H ASP 39 0.111 -23.930 16.173 271 HA ASP 39 HA ASP 39 -0.022 -21.066 16.388 272 1HB ASP 39 1HB ASP 39 1.809 -23.248 17.393 273 2HB ASP 39 2HB ASP 39 2.091 -21.556 17.803 274 H SER 40 H SER 40 1.692 -23.103 14.198 275 HA SER 40 HA SER 40 3.497 -20.817 13.475 276 1HB SER 40 1HB SER 40 4.731 -22.682 14.413 277 2HB SER 40 2HB SER 40 3.882 -23.824 13.371 278 HG SER 40 HG SER 40 4.966 -23.098 11.647 279 H PHE 41 H PHE 41 0.710 -21.634 12.481 280 HA PHE 41 HA PHE 41 0.789 -22.823 9.921 281 1HB PHE 41 1HB PHE 41 -1.304 -22.379 10.955 282 2HB PHE 41 2HB PHE 41 -0.910 -20.695 11.237 283 HD1 PHE 41 HD1 PHE 41 -1.901 -23.181 8.675 284 HD2 PHE 41 HD2 PHE 41 -1.173 -19.028 9.501 285 HE1 PHE 41 HE1 PHE 41 -2.967 -22.564 6.522 286 HE2 PHE 41 HE2 PHE 41 -2.240 -18.413 7.349 287 HZ PHE 41 HZ PHE 41 -3.137 -20.180 5.860 288 H MET 42 H MET 42 1.504 -22.106 7.935 289 HA MET 42 HA MET 42 2.644 -19.337 7.799 290 1HB MET 42 2HB MET 42 4.141 -20.277 6.131 291 2HB MET 42 1HB MET 42 3.205 -21.768 6.066 292 1HG MET 42 2HG MET 42 3.930 -21.287 8.796 293 2HG MET 42 1HG MET 42 5.381 -21.120 7.807 294 1HE MET 42 1HE MET 42 5.854 -22.794 9.578 295 2HE MET 42 2HE MET 42 5.690 -24.544 9.375 296 3HE MET 42 3HE MET 42 6.776 -23.630 8.331 297 H CYS 43 H CYS 43 2.142 -18.067 5.915 298 HA CYS 43 HA CYS 43 -0.504 -18.375 4.848 299 1HB CYS 43 1HB CYS 43 0.925 -16.283 5.132 300 2HB CYS 43 2HB CYS 43 1.801 -16.798 3.692 301 HA PRO 44 HA PRO 44 0.554 -21.231 1.590 302 1HB PRO 44 1HB PRO 44 -1.840 -21.179 0.270 303 2HB PRO 44 2HB PRO 44 -1.595 -22.068 1.785 304 1HG PRO 44 1HG PRO 44 -2.904 -19.441 1.312 305 2HG PRO 44 2HG PRO 44 -3.317 -20.717 2.466 306 1HD PRO 44 1HD PRO 44 -1.969 -18.399 3.105 307 2HD PRO 44 2HD PRO 44 -1.896 -19.900 4.050 308 H ALA 45 H ALA 45 -0.137 -17.904 1.284 309 HA ALA 45 HA ALA 45 0.403 -17.932 -1.653 310 1HB ALA 45 3HB ALA 45 -1.668 -16.867 -1.068 311 2HB ALA 45 2HB ALA 45 -0.530 -15.568 -1.429 312 3HB ALA 45 1HB ALA 45 -0.903 -15.973 0.247 313 H CYS 46 H CYS 46 1.514 -16.625 1.455 314 HA CYS 46 HA CYS 46 3.971 -15.707 0.031 315 1HB CYS 46 1HB CYS 46 3.778 -13.555 0.873 316 2HB CYS 46 2HB CYS 46 2.085 -13.975 0.660 317 H ARG 47 H ARG 47 2.904 -17.843 2.218 318 HA ARG 47 HA ARG 47 3.953 -19.088 3.920 319 1HB ARG 47 1HB ARG 47 5.812 -18.283 1.992 320 2HB ARG 47 2HB ARG 47 6.601 -17.949 3.534 321 1HG ARG 47 1HG ARG 47 5.964 -20.287 4.262 322 2HG ARG 47 2HG ARG 47 5.429 -20.586 2.607 323 1HD ARG 47 1HD ARG 47 7.643 -20.298 1.737 324 2HD ARG 47 2HD ARG 47 8.225 -19.603 3.261 325 HE ARG 47 HE ARG 47 7.238 -22.071 4.023 326 1HH1 ARG 47 1HH1 ARG 47 9.950 -20.753 2.498 327 2HH1 ARG 47 2HH1 ARG 47 10.680 -22.274 2.113 328 1HH2 ARG 47 1HH2 ARG 47 7.949 -24.147 3.146 329 2HH2 ARG 47 2HH2 ARG 47 9.547 -24.197 2.477 330 H SER 48 H SER 48 3.331 -15.963 4.373 331 HA SER 48 HA SER 48 5.171 -15.093 6.401 332 1HB SER 48 1HB SER 48 2.396 -14.431 5.488 333 2HB SER 48 2HB SER 48 2.942 -13.771 7.027 334 HG SER 48 HG SER 48 4.114 -12.411 5.977 335 HA PRO 49 HA PRO 49 3.810 -17.383 9.902 336 1HB PRO 49 1HB PRO 49 3.942 -15.545 11.922 337 2HB PRO 49 2HB PRO 49 5.382 -16.251 11.165 338 1HG PRO 49 2HG PRO 49 5.833 -14.038 10.761 339 2HG PRO 49 1HG PRO 49 4.123 -13.589 10.743 340 1HD PRO 49 1HD PRO 49 4.363 -13.594 8.478 341 2HD PRO 49 2HD PRO 49 5.831 -14.591 8.547 342 H LYS 50 H LYS 50 1.847 -17.898 10.901 343 HA LYS 50 HA LYS 50 -0.589 -16.745 10.102 344 1HB LYS 50 1HB LYS 50 -0.200 -18.964 11.184 345 2HB LYS 50 2HB LYS 50 0.098 -18.138 12.713 346 1HG LYS 50 1HG LYS 50 -2.268 -17.040 12.162 347 2HG LYS 50 2HG LYS 50 -2.468 -18.526 11.231 348 1HD LYS 50 1HD LYS 50 -2.160 -19.895 13.151 349 2HD LYS 50 2HD LYS 50 -1.509 -18.557 14.097 350 1HE LYS 50 1HE LYS 50 -4.210 -18.027 13.050 351 2HE LYS 50 2HE LYS 50 -4.138 -19.391 14.183 352 1HZ LYS 50 1HZ LYS 50 -2.771 -17.971 15.654 353 2HZ LYS 50 2HZ LYS 50 -3.028 -16.661 14.602 354 3HZ LYS 50 3HZ LYS 50 -4.338 -17.352 15.428 355 H ASN 51 H ASN 51 1.603 -15.715 12.636 356 HA ASN 51 HA ASN 51 -0.266 -14.046 14.070 357 1HB ASN 51 1HB ASN 51 2.166 -14.973 14.581 358 2HB ASN 51 2HB ASN 51 2.670 -13.456 13.838 359 2HD2 ASN 51 2HD2 ASN 51 2.413 -14.587 16.810 360 1HD2 ASN 51 1HD2 ASN 51 1.732 -13.266 17.633 361 H GLN 52 H GLN 52 1.121 -13.774 10.962 362 HA GLN 52 HA GLN 52 1.103 -10.824 10.912 363 1HB GLN 52 1HB GLN 52 2.350 -12.967 9.537 364 2HB GLN 52 2HB GLN 52 1.350 -12.131 8.350 365 1HG GLN 52 1HG GLN 52 3.311 -10.757 10.213 366 2HG GLN 52 2HG GLN 52 3.660 -11.175 8.535 367 2HE2 GLN 52 2HE2 GLN 52 1.213 -10.512 7.292 368 1HE2 GLN 52 1HE2 GLN 52 0.933 -8.846 7.453 369 H PHE 53 H PHE 53 -1.254 -13.230 10.714 370 HA PHE 53 HA PHE 53 -2.822 -12.001 8.535 371 1HB PHE 53 1HB PHE 53 -3.218 -14.253 10.519 372 2HB PHE 53 2HB PHE 53 -4.480 -13.766 9.392 373 HD1 PHE 53 HD1 PHE 53 -0.801 -14.544 9.364 374 HD2 PHE 53 HD2 PHE 53 -4.579 -14.852 7.342 375 HE1 PHE 53 HE1 PHE 53 0.268 -15.882 7.571 376 HE2 PHE 53 HE2 PHE 53 -3.509 -16.191 5.549 377 HZ PHE 53 HZ PHE 53 -1.087 -16.705 5.665 378 H LYS 54 H LYS 54 -4.582 -10.624 8.847 379 HA LYS 54 HA LYS 54 -5.218 -9.867 11.683 380 1HB LYS 54 1HB LYS 54 -4.000 -8.322 9.834 381 2HB LYS 54 2HB LYS 54 -5.681 -7.985 9.418 382 1HG LYS 54 1HG LYS 54 -5.104 -7.955 12.314 383 2HG LYS 54 2HG LYS 54 -4.293 -6.688 11.393 384 1HD LYS 54 1HD LYS 54 -7.105 -7.085 10.630 385 2HD LYS 54 2HD LYS 54 -6.893 -6.558 12.300 386 1HE LYS 54 1HE LYS 54 -6.105 -4.493 11.674 387 2HE LYS 54 2HE LYS 54 -5.228 -5.145 10.277 388 1HZ LYS 54 1HZ LYS 54 -8.193 -5.012 10.462 389 2HZ LYS 54 2HZ LYS 54 -7.255 -3.828 9.693 390 3HZ LYS 54 3HZ LYS 54 -7.268 -5.419 9.097 391 H SER 55 H SER 55 -7.319 -10.324 12.220 392 HA SER 55 HA SER 55 -9.219 -11.487 10.480 393 1HB SER 55 1HB SER 55 -9.563 -11.774 12.776 394 2HB SER 55 2HB SER 55 -9.297 -10.072 13.120 395 HG SER 55 HG SER 55 -11.373 -9.921 13.054 396 H ILE 56 H ILE 56 -11.495 -10.392 10.263 397 HA ILE 56 HA ILE 56 -11.420 -7.505 9.632 398 HB ILE 56 HB ILE 56 -12.086 -7.972 7.260 399 1HG1 ILE 56 1HG1 ILE 56 -11.061 -10.662 7.122 400 2HG1 ILE 56 2HG1 ILE 56 -12.388 -10.597 8.283 401 1HG2 ILE 56 1HG2 ILE 56 -9.667 -7.622 8.073 402 2HG2 ILE 56 2HG2 ILE 56 -9.479 -9.365 7.878 403 3HG2 ILE 56 3HG2 ILE 56 -9.878 -8.359 6.485 404 1HD1 ILE 56 1HD1 ILE 56 -12.949 -9.037 5.876 405 2HD1 ILE 56 2HD1 ILE 56 -12.646 -10.736 5.513 406 3HD1 ILE 56 3HD1 ILE 56 -13.920 -10.290 6.649 407 H LYS 57 H LYS 57 -13.119 -7.599 11.320 408 HA LYS 57 HA LYS 57 -15.635 -8.998 10.550 409 1HB LYS 57 1HB LYS 57 -16.253 -8.430 12.897 410 2HB LYS 57 2HB LYS 57 -14.724 -9.304 12.814 411 1HG LYS 57 1HG LYS 57 -14.152 -6.518 12.545 412 2HG LYS 57 2HG LYS 57 -15.225 -6.717 13.930 413 1HD LYS 57 1HD LYS 57 -13.005 -8.683 13.680 414 2HD LYS 57 2HD LYS 57 -12.554 -7.034 14.114 415 1HE LYS 57 1HE LYS 57 -14.046 -7.070 16.037 416 2HE LYS 57 2HE LYS 57 -14.695 -8.647 15.550 417 1HZ LYS 57 1HZ LYS 57 -11.839 -8.074 16.160 418 2HZ LYS 57 2HZ LYS 57 -12.913 -8.864 17.208 419 3HZ LYS 57 3HZ LYS 57 -12.483 -9.587 15.731 420 H LYS 58 H LYS 58 -15.513 -7.130 8.752 421 HA LYS 58 HA LYS 58 -16.611 -4.562 9.771 422 1HB LYS 58 1HB LYS 58 -14.889 -5.366 7.710 423 2HB LYS 58 2HB LYS 58 -16.374 -4.894 6.884 424 1HG LYS 58 1HG LYS 58 -15.948 -2.713 7.259 425 2HG LYS 58 2HG LYS 58 -15.763 -3.004 8.988 426 1HD LYS 58 1HD LYS 58 -13.451 -3.441 8.788 427 2HD LYS 58 2HD LYS 58 -13.566 -3.721 7.050 428 1HE LYS 58 1HE LYS 58 -14.401 -1.025 8.020 429 2HE LYS 58 2HE LYS 58 -12.665 -1.387 8.044 430 1HZ LYS 58 1HZ LYS 58 -14.472 -1.865 5.726 431 2HZ LYS 58 2HZ LYS 58 -13.430 -0.530 5.870 432 3HZ LYS 58 3HZ LYS 58 -12.788 -2.096 5.759 433 H VAL 59 H VAL 59 -18.753 -3.967 9.433 434 HA VAL 59 HA VAL 59 -20.452 -5.592 7.614 435 HB VAL 59 HB VAL 59 -22.034 -6.027 9.470 436 1HG1 VAL 59 1HG1 VAL 59 -20.025 -7.544 8.922 437 2HG1 VAL 59 2HG1 VAL 59 -19.274 -6.867 10.366 438 3HG1 VAL 59 3HG1 VAL 59 -20.785 -7.765 10.498 439 1HG2 VAL 59 1HG2 VAL 59 -19.899 -4.666 11.144 440 2HG2 VAL 59 2HG2 VAL 59 -21.528 -4.061 10.842 441 3HG2 VAL 59 3HG2 VAL 59 -21.294 -5.527 11.795 442 H ILE 60 H ILE 60 -21.997 -4.294 6.652 443 HA ILE 60 HA ILE 60 -22.535 -1.613 7.892 444 HB ILE 60 HB ILE 60 -22.118 -2.337 4.972 445 1HG1 ILE 60 1HG1 ILE 60 -20.203 -0.517 5.577 446 2HG1 ILE 60 2HG1 ILE 60 -20.346 -1.334 7.133 447 1HG2 ILE 60 1HG2 ILE 60 -23.439 -0.124 6.229 448 2HG2 ILE 60 2HG2 ILE 60 -21.948 0.459 5.492 449 3HG2 ILE 60 3HG2 ILE 60 -23.142 -0.388 4.510 450 1HD1 ILE 60 1HD1 ILE 60 -20.372 -3.426 5.305 451 2HD1 ILE 60 2HD1 ILE 60 -19.196 -2.305 4.622 452 3HD1 ILE 60 3HD1 ILE 60 -18.980 -2.916 6.262 453 H ALA 61 H ALA 61 -23.704 -4.086 5.589 454 HA ALA 61 HA ALA 61 -26.488 -3.510 6.491 455 1HB ALA 61 2HB ALA 61 -25.948 -3.852 3.567 456 2HB ALA 61 1HB ALA 61 -25.543 -2.301 4.302 457 3HB ALA 61 3HB ALA 61 -27.199 -2.902 4.369 458 H GLY 62 H GLY 62 -27.395 -5.461 6.996 459 1HA GLY 62 1HA GLY 62 -26.944 -7.782 5.233 460 2HA GLY 62 2HA GLY 62 -26.403 -7.968 6.901 461 H PHE 63 H PHE 63 -27.906 -8.806 8.268 462 HA PHE 63 HA PHE 63 -30.751 -8.854 7.397 463 1HB PHE 63 1HB PHE 63 -29.080 -10.766 8.351 464 2HB PHE 63 2HB PHE 63 -29.814 -10.226 9.861 465 HD1 PHE 63 HD1 PHE 63 -32.236 -10.431 10.236 466 HD2 PHE 63 HD2 PHE 63 -30.404 -11.845 6.617 467 HE1 PHE 63 HE1 PHE 63 -34.292 -11.708 9.693 468 HE2 PHE 63 HE2 PHE 63 -32.459 -13.123 6.075 469 HZ PHE 63 HZ PHE 63 -34.403 -13.054 7.613 470 H ALA 64 H ALA 64 -28.852 -8.144 10.359 471 HA ALA 64 HA ALA 64 -31.024 -6.232 11.150 472 1HB ALA 64 3HB ALA 64 -31.056 -7.159 13.286 473 2HB ALA 64 1HB ALA 64 -30.696 -8.591 12.321 474 3HB ALA 64 2HB ALA 64 -29.397 -7.746 13.164 475 H GLU 65 H GLU 65 -30.049 -4.244 10.882 476 HA GLU 65 HA GLU 65 -27.196 -3.802 11.155 477 1HB GLU 65 2HB GLU 65 -28.731 -2.519 9.688 478 2HB GLU 65 1HB GLU 65 -27.886 -1.453 10.810 479 1HG GLU 65 1HG GLU 65 -30.435 -2.558 11.824 480 2HG GLU 65 2HG GLU 65 -29.797 -0.919 11.935 481 H ASN 66 H ASN 66 -27.206 -1.362 12.633 482 HA ASN 66 HA ASN 66 -28.302 -1.821 15.306 483 1HB ASN 66 1HB ASN 66 -26.388 -3.439 15.084 484 2HB ASN 66 2HB ASN 66 -25.312 -2.064 14.839 485 2HD2 ASN 66 2HD2 ASN 66 -24.786 -3.653 17.053 486 1HD2 ASN 66 1HD2 ASN 66 -25.244 -2.854 18.479 487 H GLN 67 H GLN 67 -28.970 0.408 14.396 488 HA GLN 67 HA GLN 67 -27.116 2.534 14.007 489 1HB GLN 67 1HB GLN 67 -29.123 3.933 14.437 490 2HB GLN 67 2HB GLN 67 -29.503 2.564 13.391 491 1HG GLN 67 1HG GLN 67 -30.017 1.386 15.726 492 2HG GLN 67 2HG GLN 67 -30.282 3.053 16.236 493 2HE2 GLN 67 2HE2 GLN 67 -32.569 3.159 16.282 494 1HE2 GLN 67 1HE2 GLN 67 -33.557 2.815 14.945 495 H LYS 68 H LYS 68 -25.629 3.183 15.515 496 HA LYS 68 HA LYS 68 -26.564 3.616 18.319 497 1HB LYS 68 1HB LYS 68 -25.496 1.426 18.237 498 2HB LYS 68 2HB LYS 68 -24.112 2.096 17.375 499 1HG LYS 68 2HG LYS 68 -23.723 3.605 19.372 500 2HG LYS 68 1HG LYS 68 -23.474 1.890 19.690 501 1HD LYS 68 1HD LYS 68 -26.196 3.068 20.143 502 2HD LYS 68 2HD LYS 68 -25.423 1.703 20.948 503 1HE LYS 68 1HE LYS 68 -23.722 3.746 21.628 504 2HE LYS 68 2HE LYS 68 -25.286 4.583 21.597 505 1HZ LYS 68 1HZ LYS 68 -24.739 1.997 22.968 506 2HZ LYS 68 2HZ LYS 68 -24.876 3.498 23.747 507 3HZ LYS 68 3HZ LYS 68 -26.222 2.825 22.958 508 H TYR 69 H TYR 69 -23.898 4.078 15.979 509 HA TYR 69 HA TYR 69 -23.777 6.929 16.425 510 1HB TYR 69 1HB TYR 69 -22.911 6.079 18.590 511 2HB TYR 69 2HB TYR 69 -21.656 5.191 17.728 512 HD1 TYR 69 HD1 TYR 69 -22.910 8.559 18.614 513 HD2 TYR 69 HD2 TYR 69 -19.746 6.318 16.768 514 HE1 TYR 69 HE1 TYR 69 -21.490 10.592 18.584 515 HE2 TYR 69 HE2 TYR 69 -18.325 8.350 16.736 516 HH TYR 69 HH TYR 69 -18.234 10.547 17.133 517 H GLY 70 H GLY 70 -22.228 7.917 14.995 518 1HA GLY 70 1HA GLY 70 -20.859 5.999 13.149 519 2HA GLY 70 2HA GLY 70 -21.641 7.472 12.574 No H/Q in entry = 519 Start of MODEL 12 1 H1 MET 1 1H MET 1 -16.078 -6.043 2.501 2 H2 MET 1 2H MET 1 -15.915 -4.528 1.752 3 H3 MET 1 3H MET 1 -16.250 -4.624 3.414 4 HA MET 1 HA MET 1 -18.275 -4.047 2.278 5 1HB MET 1 1HB MET 1 -17.152 -5.186 0.181 6 2HB MET 1 2HB MET 1 -18.025 -6.615 0.734 7 1HG MET 1 1HG MET 1 -20.104 -5.666 0.339 8 2HG MET 1 2HG MET 1 -19.509 -4.020 0.558 9 1HE MET 1 1HE MET 1 -19.772 -7.110 -1.468 10 2HE MET 1 2HE MET 1 -19.216 -6.735 -3.097 11 3HE MET 1 3HE MET 1 -18.046 -6.980 -1.794 12 H GLU 2 H GLU 2 -17.546 -7.556 2.552 13 HA GLU 2 HA GLU 2 -19.435 -7.698 4.858 14 1HB GLU 2 1HB GLU 2 -20.439 -8.192 2.509 15 2HB GLU 2 2HB GLU 2 -19.510 -9.690 2.593 16 1HG GLU 2 1HG GLU 2 -20.619 -9.881 4.983 17 2HG GLU 2 2HG GLU 2 -21.818 -8.791 4.286 18 H ILE 3 H ILE 3 -17.570 -8.111 6.194 19 HA ILE 3 HA ILE 3 -16.477 -10.875 5.893 20 HB ILE 3 HB ILE 3 -14.219 -9.862 6.458 21 1HG1 ILE 3 1HG1 ILE 3 -15.775 -7.307 5.944 22 2HG1 ILE 3 2HG1 ILE 3 -14.958 -7.762 7.437 23 1HG2 ILE 3 1HG2 ILE 3 -14.911 -10.469 4.138 24 2HG2 ILE 3 2HG2 ILE 3 -15.529 -8.832 3.922 25 3HG2 ILE 3 3HG2 ILE 3 -13.803 -9.097 4.172 26 1HD1 ILE 3 1HD1 ILE 3 -12.875 -7.961 5.742 27 2HD1 ILE 3 2HD1 ILE 3 -13.813 -6.740 4.885 28 3HD1 ILE 3 3HD1 ILE 3 -13.295 -6.449 6.546 29 H ASP 4 H ASP 4 -16.443 -11.928 7.862 30 HA ASP 4 HA ASP 4 -15.976 -10.694 10.416 31 1HB ASP 4 1HB ASP 4 -18.421 -10.023 9.353 32 2HB ASP 4 2HB ASP 4 -18.833 -11.436 10.323 33 H GLU 5 H GLU 5 -17.461 -13.312 8.604 34 HA GLU 5 HA GLU 5 -17.714 -15.194 10.763 35 1HB GLU 5 1HB GLU 5 -17.593 -15.277 7.759 36 2HB GLU 5 2HB GLU 5 -17.609 -16.785 8.673 37 1HG GLU 5 1HG GLU 5 -19.602 -15.249 9.877 38 2HG GLU 5 2HG GLU 5 -19.789 -14.914 8.156 39 H GLY 6 H GLY 6 -15.463 -14.556 11.674 40 1HA GLY 6 1HA GLY 6 -13.214 -15.089 12.059 41 2HA GLY 6 2HA GLY 6 -13.661 -16.693 11.497 42 H LYS 7 H LYS 7 -14.031 -13.980 9.329 43 HA LYS 7 HA LYS 7 -12.125 -15.184 7.451 44 1HB LYS 7 1HB LYS 7 -14.370 -13.933 7.033 45 2HB LYS 7 2HB LYS 7 -13.423 -12.462 7.258 46 1HG LYS 7 2HG LYS 7 -11.957 -14.185 5.514 47 2HG LYS 7 1HG LYS 7 -12.673 -12.619 5.142 48 1HD LYS 7 1HD LYS 7 -13.472 -15.140 4.148 49 2HD LYS 7 2HD LYS 7 -14.735 -14.642 5.273 50 1HE LYS 7 1HE LYS 7 -13.842 -12.413 3.602 51 2HE LYS 7 2HE LYS 7 -14.477 -13.761 2.639 52 1HZ LYS 7 1HZ LYS 7 -15.839 -12.865 5.107 53 2HZ LYS 7 2HZ LYS 7 -16.149 -12.099 3.623 54 3HZ LYS 7 3HZ LYS 7 -16.477 -13.752 3.806 55 H TYR 8 H TYR 8 -9.946 -14.694 7.445 56 HA TYR 8 HA TYR 8 -9.086 -12.186 8.859 57 1HB TYR 8 1HB TYR 8 -8.026 -14.982 8.643 58 2HB TYR 8 2HB TYR 8 -6.885 -13.667 8.916 59 HD1 TYR 8 HD1 TYR 8 -10.307 -14.605 10.134 60 HD2 TYR 8 HD2 TYR 8 -6.341 -13.304 11.156 61 HE1 TYR 8 HE1 TYR 8 -10.941 -14.590 12.528 62 HE2 TYR 8 HE2 TYR 8 -6.973 -13.290 13.556 63 HH TYR 8 HH TYR 8 -9.185 -13.049 14.874 64 H GLU 9 H GLU 9 -7.260 -11.040 7.915 65 HA GLU 9 HA GLU 9 -6.794 -11.667 5.017 66 1HB GLU 9 1HB GLU 9 -6.892 -9.266 4.604 67 2HB GLU 9 2HB GLU 9 -8.344 -9.744 5.478 68 1HG GLU 9 1HG GLU 9 -7.770 -7.977 6.819 69 2HG GLU 9 2HG GLU 9 -6.718 -9.176 7.569 70 H CYS 10 H CYS 10 -4.635 -11.671 4.410 71 HA CYS 10 HA CYS 10 -2.582 -11.482 6.479 72 1HB CYS 10 1HB CYS 10 -2.803 -12.974 4.325 73 2HB CYS 10 2HB CYS 10 -2.112 -11.579 3.518 74 H GLU 11 H GLU 11 -1.965 -9.435 7.146 75 HA GLU 11 HA GLU 11 -2.203 -7.075 5.476 76 1HB GLU 11 1HB GLU 11 -1.483 -7.847 8.161 77 2HB GLU 11 2HB GLU 11 -0.285 -6.716 7.535 78 1HG GLU 11 1HG GLU 11 -2.592 -5.537 6.680 79 2HG GLU 11 2HG GLU 11 -3.143 -6.281 8.180 80 H ALA 12 H ALA 12 0.033 -9.660 5.547 81 HA ALA 12 HA ALA 12 2.385 -8.128 4.700 82 1HB ALA 12 1HB ALA 12 2.186 -10.321 6.086 83 2HB ALA 12 3HB ALA 12 3.465 -10.216 4.876 84 3HB ALA 12 2HB ALA 12 1.987 -11.110 4.522 85 H CYS 13 H CYS 13 0.057 -10.394 3.110 86 HA CYS 13 HA CYS 13 1.196 -9.428 0.511 87 1HB CYS 13 2HB CYS 13 1.614 -11.832 1.285 88 2HB CYS 13 1HB CYS 13 0.956 -11.637 -0.335 89 H GLY 14 H GLY 14 -1.765 -10.200 2.282 90 1HA GLY 14 1HA GLY 14 -3.737 -8.775 1.808 91 2HA GLY 14 2HA GLY 14 -3.270 -8.801 0.108 92 H TYR 15 H TYR 15 -3.003 -11.758 1.890 93 HA TYR 15 HA TYR 15 -5.021 -13.020 0.168 94 1HB TYR 15 1HB TYR 15 -2.921 -14.146 0.664 95 2HB TYR 15 2HB TYR 15 -3.200 -13.988 2.398 96 HD1 TYR 15 HD1 TYR 15 -4.886 -15.353 3.540 97 HD2 TYR 15 HD2 TYR 15 -4.149 -15.784 -0.670 98 HE1 TYR 15 HE1 TYR 15 -6.140 -17.491 3.540 99 HE2 TYR 15 HE2 TYR 15 -5.402 -17.924 -0.670 100 HH TYR 15 HH TYR 15 -7.182 -19.012 0.715 101 H ILE 16 H ILE 16 -6.712 -14.465 1.251 102 HA ILE 16 HA ILE 16 -7.694 -13.266 3.819 103 HB ILE 16 HB ILE 16 -9.202 -13.928 1.273 104 1HG1 ILE 16 1HG1 ILE 16 -7.902 -11.803 1.305 105 2HG1 ILE 16 2HG1 ILE 16 -9.642 -11.526 1.211 106 1HG2 ILE 16 1HG2 ILE 16 -10.100 -13.834 4.018 107 2HG2 ILE 16 2HG2 ILE 16 -10.837 -12.520 3.101 108 3HG2 ILE 16 3HG2 ILE 16 -11.032 -14.188 2.562 109 1HD1 ILE 16 1HD1 ILE 16 -8.986 -11.686 3.969 110 2HD1 ILE 16 2HD1 ILE 16 -7.783 -10.633 3.223 111 3HD1 ILE 16 3HD1 ILE 16 -9.499 -10.260 3.069 112 H TYR 17 H TYR 17 -7.732 -14.885 5.306 113 HA TYR 17 HA TYR 17 -7.799 -17.708 4.524 114 1HB TYR 17 1HB TYR 17 -6.417 -16.986 6.372 115 2HB TYR 17 2HB TYR 17 -7.786 -16.200 7.154 116 HD1 TYR 17 HD1 TYR 17 -6.571 -19.545 5.994 117 HD2 TYR 17 HD2 TYR 17 -9.132 -17.384 8.684 118 HE1 TYR 17 HE1 TYR 17 -7.134 -21.660 7.162 119 HE2 TYR 17 HE2 TYR 17 -9.693 -19.500 9.850 120 HH TYR 17 HH TYR 17 -9.703 -21.897 9.407 121 H GLU 18 H GLU 18 -9.577 -19.029 4.544 122 HA GLU 18 HA GLU 18 -12.182 -17.857 5.451 123 1HB GLU 18 1HB GLU 18 -11.287 -19.684 3.242 124 2HB GLU 18 2HB GLU 18 -12.945 -19.807 3.832 125 1HG GLU 18 1HG GLU 18 -12.739 -17.116 3.588 126 2HG GLU 18 2HG GLU 18 -11.631 -17.620 2.312 127 HA PRO 19 HA PRO 19 -11.637 -21.143 8.496 128 1HB PRO 19 1HB PRO 19 -13.749 -20.414 10.079 129 2HB PRO 19 2HB PRO 19 -12.159 -19.645 10.152 130 1HG PRO 19 1HG PRO 19 -14.658 -18.686 8.876 131 2HG PRO 19 2HG PRO 19 -13.387 -17.778 9.696 132 1HD PRO 19 1HD PRO 19 -13.663 -17.950 6.963 133 2HD PRO 19 2HD PRO 19 -12.145 -17.570 7.800 134 H GLU 20 H GLU 20 -15.052 -20.293 8.037 135 HA GLU 20 HA GLU 20 -16.240 -22.781 8.240 136 1HB GLU 20 1HB GLU 20 -16.780 -20.350 6.551 137 2HB GLU 20 2HB GLU 20 -17.853 -21.747 6.458 138 1HG GLU 20 1HG GLU 20 -17.171 -20.948 9.209 139 2HG GLU 20 2HG GLU 20 -18.071 -19.725 8.313 140 H LYS 21 H LYS 21 -14.310 -21.611 5.539 141 HA LYS 21 HA LYS 21 -15.095 -23.927 3.860 142 1HB LYS 21 1HB LYS 21 -14.441 -21.273 3.393 143 2HB LYS 21 2HB LYS 21 -12.981 -22.135 2.907 144 1HG LYS 21 2HG LYS 21 -15.182 -23.633 1.920 145 2HG LYS 21 1HG LYS 21 -14.002 -22.714 0.985 146 1HD LYS 21 1HD LYS 21 -16.139 -21.127 2.304 147 2HD LYS 21 2HD LYS 21 -15.414 -20.931 0.708 148 1HE LYS 21 1HE LYS 21 -16.776 -22.658 -0.232 149 2HE LYS 21 2HE LYS 21 -17.270 -23.238 1.370 150 1HZ LYS 21 1HZ LYS 21 -18.108 -20.867 1.710 151 2HZ LYS 21 2HZ LYS 21 -17.982 -20.695 0.025 152 3HZ LYS 21 3HZ LYS 21 -19.022 -21.863 0.686 153 H GLY 22 H GLY 22 -12.259 -22.625 5.552 154 1HA GLY 22 1HA GLY 22 -10.538 -24.011 6.507 155 2HA GLY 22 2HA GLY 22 -11.061 -25.333 5.465 156 H ASP 23 H ASP 23 -8.342 -24.283 5.819 157 HA ASP 23 HA ASP 23 -7.691 -22.837 3.343 158 1HB ASP 23 1HB ASP 23 -6.625 -22.996 5.855 159 2HB ASP 23 2HB ASP 23 -5.579 -24.114 4.983 160 H LYS 24 H LYS 24 -8.869 -24.906 2.313 161 HA LYS 24 HA LYS 24 -7.823 -27.455 2.083 162 1HB LYS 24 1HB LYS 24 -9.417 -25.614 0.534 163 2HB LYS 24 2HB LYS 24 -8.411 -26.580 -0.546 164 1HG LYS 24 1HG LYS 24 -10.143 -27.732 1.661 165 2HG LYS 24 2HG LYS 24 -10.617 -27.655 -0.036 166 1HD LYS 24 1HD LYS 24 -7.968 -28.877 0.598 167 2HD LYS 24 2HD LYS 24 -9.410 -29.814 0.988 168 1HE LYS 24 1HE LYS 24 -9.324 -28.520 -1.706 169 2HE LYS 24 2HE LYS 24 -8.291 -29.940 -1.446 170 1HZ LYS 24 1HZ LYS 24 -10.297 -31.004 -0.400 171 2HZ LYS 24 2HZ LYS 24 -11.222 -29.714 -1.007 172 3HZ LYS 24 3HZ LYS 24 -10.416 -30.754 -2.077 173 H PHE 25 H PHE 25 -6.374 -24.494 0.855 174 HA PHE 25 HA PHE 25 -4.449 -25.825 -0.888 175 1HB PHE 25 1HB PHE 25 -4.554 -23.044 0.330 176 2HB PHE 25 2HB PHE 25 -3.518 -23.531 -1.012 177 HD1 PHE 25 HD1 PHE 25 -5.170 -25.164 -2.705 178 HD2 PHE 25 HD2 PHE 25 -6.254 -21.659 -0.472 179 HE1 PHE 25 HE1 PHE 25 -7.026 -24.727 -4.291 180 HE2 PHE 25 HE2 PHE 25 -8.109 -21.221 -2.057 181 HZ PHE 25 HZ PHE 25 -8.495 -22.755 -3.967 182 H ALA 26 H ALA 26 -4.554 -24.848 2.492 183 HA ALA 26 HA ALA 26 -1.651 -25.378 2.839 184 1HB ALA 26 3HB ALA 26 -2.065 -23.605 4.196 185 2HB ALA 26 1HB ALA 26 -3.805 -23.891 4.163 186 3HB ALA 26 2HB ALA 26 -2.787 -24.777 5.299 187 H GLY 27 H GLY 27 -4.796 -26.780 3.572 188 1HA GLY 27 1HA GLY 27 -4.699 -29.308 3.781 189 2HA GLY 27 2HA GLY 27 -3.388 -29.047 4.928 190 H ILE 28 H ILE 28 -5.825 -26.664 5.200 191 HA ILE 28 HA ILE 28 -6.818 -27.998 7.675 192 HB ILE 28 HB ILE 28 -6.818 -25.136 6.670 193 1HG1 ILE 28 1HG1 ILE 28 -5.483 -25.748 9.193 194 2HG1 ILE 28 2HG1 ILE 28 -4.804 -26.662 7.846 195 1HG2 ILE 28 1HG2 ILE 28 -7.893 -26.361 9.225 196 2HG2 ILE 28 2HG2 ILE 28 -7.566 -24.637 9.042 197 3HG2 ILE 28 3HG2 ILE 28 -8.784 -25.415 8.032 198 1HD1 ILE 28 1HD1 ILE 28 -5.337 -23.701 7.612 199 2HD1 ILE 28 2HD1 ILE 28 -3.833 -24.304 8.307 200 3HD1 ILE 28 3HD1 ILE 28 -4.257 -24.702 6.642 201 HA PRO 29 HA PRO 29 -10.598 -28.618 5.338 202 1HB PRO 29 1HB PRO 29 -12.047 -29.743 7.374 203 2HB PRO 29 2HB PRO 29 -10.834 -30.638 6.440 204 1HG PRO 29 2HG PRO 29 -9.972 -30.932 8.555 205 2HG PRO 29 1HG PRO 29 -10.619 -29.394 9.141 206 1HD PRO 29 1HD PRO 29 -8.469 -28.673 8.835 207 2HD PRO 29 2HD PRO 29 -8.110 -29.947 7.652 208 HA PRO 30 HA PRO 30 -13.201 -25.270 6.540 209 1HB PRO 30 1HB PRO 30 -15.746 -26.249 6.345 210 2HB PRO 30 2HB PRO 30 -14.739 -25.893 4.928 211 1HG PRO 30 1HG PRO 30 -15.279 -28.500 6.271 212 2HG PRO 30 2HG PRO 30 -15.211 -28.123 4.544 213 1HD PRO 30 1HD PRO 30 -13.164 -29.312 5.864 214 2HD PRO 30 2HD PRO 30 -12.905 -28.222 4.486 215 H GLY 31 H GLY 31 -15.576 -25.149 7.939 216 1HA GLY 31 1HA GLY 31 -16.311 -25.006 10.170 217 2HA GLY 31 2HA GLY 31 -15.945 -26.730 10.217 218 H THR 32 H THR 32 -13.430 -24.382 9.579 219 HA THR 32 HA THR 32 -12.365 -24.822 12.349 220 HB THR 32 HB THR 32 -10.743 -24.621 9.802 221 HG1 THR 32 HG1 THR 32 -11.621 -26.961 11.140 222 1HG2 THR 32 1HG2 THR 32 -9.602 -24.234 11.982 223 2HG2 THR 32 2HG2 THR 32 -10.135 -25.828 12.515 224 3HG2 THR 32 3HG2 THR 32 -9.015 -25.680 11.161 225 HA PRO 33 HA PRO 33 -12.402 -20.331 11.951 226 1HB PRO 33 1HB PRO 33 -11.790 -19.800 14.564 227 2HB PRO 33 2HB PRO 33 -13.423 -20.232 14.022 228 1HG PRO 33 2HG PRO 33 -13.104 -21.902 15.569 229 2HG PRO 33 1HG PRO 33 -11.350 -21.913 15.343 230 1HD PRO 33 1HD PRO 33 -11.762 -23.766 14.076 231 2HD PRO 33 2HD PRO 33 -13.460 -23.320 13.812 232 H PHE 34 H PHE 34 -10.716 -18.761 11.848 233 HA PHE 34 HA PHE 34 -8.090 -19.599 11.279 234 1HB PHE 34 1HB PHE 34 -8.944 -17.459 10.588 235 2HB PHE 34 2HB PHE 34 -9.281 -16.985 12.243 236 HD1 PHE 34 HD1 PHE 34 -7.357 -16.624 13.842 237 HD2 PHE 34 HD2 PHE 34 -6.790 -17.124 9.614 238 HE1 PHE 34 HE1 PHE 34 -5.086 -15.650 14.033 239 HE2 PHE 34 HE2 PHE 34 -4.516 -16.149 9.805 240 HZ PHE 34 HZ PHE 34 -3.666 -15.413 12.016 241 H VAL 35 H VAL 35 -9.575 -18.810 14.372 242 HA VAL 35 HA VAL 35 -7.167 -18.525 15.916 243 HB VAL 35 HB VAL 35 -8.764 -18.894 17.798 244 1HG1 VAL 35 1HG1 VAL 35 -9.546 -17.123 15.483 245 2HG1 VAL 35 2HG1 VAL 35 -10.456 -17.109 16.993 246 3HG1 VAL 35 3HG1 VAL 35 -8.748 -16.669 16.988 247 1HG2 VAL 35 1HG2 VAL 35 -10.176 -20.309 15.722 248 2HG2 VAL 35 2HG2 VAL 35 -10.521 -20.256 17.450 249 3HG2 VAL 35 3HG2 VAL 35 -11.207 -19.038 16.376 250 H ASP 36 H ASP 36 -8.624 -21.291 14.477 251 HA ASP 36 HA ASP 36 -7.417 -23.166 16.445 252 1HB ASP 36 1HB ASP 36 -9.584 -23.134 14.466 253 2HB ASP 36 2HB ASP 36 -8.630 -24.617 14.417 254 H LEU 37 H LEU 37 -6.451 -21.578 13.619 255 HA LEU 37 HA LEU 37 -5.199 -23.529 12.026 256 1HB LEU 37 1HB LEU 37 -4.533 -20.687 12.803 257 2HB LEU 37 2HB LEU 37 -3.536 -21.569 11.647 258 HG LEU 37 HG LEU 37 -6.521 -21.072 11.401 259 1HD1 LEU 37 1HD1 LEU 37 -4.731 -19.188 10.993 260 2HD1 LEU 37 2HD1 LEU 37 -4.407 -20.083 9.508 261 3HD1 LEU 37 3HD1 LEU 37 -6.018 -19.433 9.813 262 1HD2 LEU 37 1HD2 LEU 37 -4.566 -22.769 9.904 263 2HD2 LEU 37 2HD2 LEU 37 -6.272 -23.061 10.246 264 3HD2 LEU 37 3HD2 LEU 37 -5.808 -21.928 8.976 265 H SER 38 H SER 38 -2.807 -24.032 11.961 266 HA SER 38 HA SER 38 -1.891 -25.252 14.359 267 1HB SER 38 1HB SER 38 -0.753 -24.472 11.699 268 2HB SER 38 2HB SER 38 0.354 -25.045 12.945 269 HG SER 38 HG SER 38 -1.223 -26.475 11.385 270 H ASP 39 H ASP 39 0.084 -24.646 15.603 271 HA ASP 39 HA ASP 39 -0.021 -21.984 16.646 272 1HB ASP 39 1HB ASP 39 1.401 -24.481 17.024 273 2HB ASP 39 2HB ASP 39 2.507 -23.118 17.184 274 H SER 40 H SER 40 1.818 -23.419 14.017 275 HA SER 40 HA SER 40 3.123 -20.755 13.551 276 1HB SER 40 1HB SER 40 4.226 -23.343 14.074 277 2HB SER 40 2HB SER 40 4.614 -22.915 12.406 278 HG SER 40 HG SER 40 6.089 -22.151 14.109 279 H PHE 41 H PHE 41 0.629 -21.378 12.408 280 HA PHE 41 HA PHE 41 0.725 -22.675 9.866 281 1HB PHE 41 1HB PHE 41 -1.374 -22.256 10.887 282 2HB PHE 41 2HB PHE 41 -0.998 -20.568 11.179 283 HD1 PHE 41 HD1 PHE 41 -1.968 -23.050 8.609 284 HD2 PHE 41 HD2 PHE 41 -1.254 -18.896 9.449 285 HE1 PHE 41 HE1 PHE 41 -3.032 -22.431 6.455 286 HE2 PHE 41 HE2 PHE 41 -2.320 -18.279 7.296 287 HZ PHE 41 HZ PHE 41 -3.207 -20.045 5.798 288 H MET 42 H MET 42 1.288 -21.907 7.827 289 HA MET 42 HA MET 42 2.471 -19.152 7.714 290 1HB MET 42 1HB MET 42 3.012 -21.529 5.906 291 2HB MET 42 2HB MET 42 3.961 -20.052 6.039 292 1HG MET 42 1HG MET 42 4.621 -20.619 8.313 293 2HG MET 42 2HG MET 42 3.569 -22.033 8.301 294 1HE MET 42 1HE MET 42 5.945 -22.207 9.316 295 2HE MET 42 2HE MET 42 6.400 -23.790 8.692 296 3HE MET 42 3HE MET 42 7.445 -22.402 8.399 297 H CYS 43 H CYS 43 1.950 -17.875 5.845 298 HA CYS 43 HA CYS 43 -0.719 -18.139 4.835 299 1HB CYS 43 1HB CYS 43 0.712 -16.070 5.102 300 2HB CYS 43 2HB CYS 43 1.614 -16.592 3.681 301 HA PRO 44 HA PRO 44 0.206 -21.009 1.556 302 1HB PRO 44 1HB PRO 44 -2.209 -20.897 0.277 303 2HB PRO 44 2HB PRO 44 -1.957 -21.789 1.789 304 1HG PRO 44 2HG PRO 44 -3.631 -20.397 2.500 305 2HG PRO 44 1HG PRO 44 -3.213 -19.134 1.334 306 1HD PRO 44 1HD PRO 44 -2.214 -18.107 3.100 307 2HD PRO 44 2HD PRO 44 -2.165 -19.604 4.052 308 H ALA 45 H ALA 45 -0.127 -17.681 1.277 309 HA ALA 45 HA ALA 45 0.282 -17.763 -1.686 310 1HB ALA 45 2HB ALA 45 -0.817 -15.548 0.068 311 2HB ALA 45 3HB ALA 45 -0.770 -15.556 -1.694 312 3HB ALA 45 1HB ALA 45 -1.811 -16.691 -0.834 313 H CYS 46 H CYS 46 1.303 -16.203 1.356 314 HA CYS 46 HA CYS 46 3.790 -15.360 -0.077 315 1HB CYS 46 1HB CYS 46 3.649 -13.258 0.920 316 2HB CYS 46 2HB CYS 46 1.952 -13.644 0.675 317 H ARG 47 H ARG 47 2.793 -17.616 2.002 318 HA ARG 47 HA ARG 47 3.850 -18.922 3.654 319 1HB ARG 47 1HB ARG 47 6.032 -17.568 2.095 320 2HB ARG 47 2HB ARG 47 6.445 -18.629 3.442 321 1HG ARG 47 1HG ARG 47 5.169 -20.460 2.413 322 2HG ARG 47 2HG ARG 47 4.700 -19.402 1.083 323 1HD ARG 47 1HD ARG 47 6.847 -19.397 0.157 324 2HD ARG 47 2HD ARG 47 7.623 -19.758 1.711 325 HE ARG 47 HE ARG 47 6.604 -22.061 1.519 326 1HH1 ARG 47 1HH1 ARG 47 5.478 -20.398 -1.121 327 2HH1 ARG 47 2HH1 ARG 47 6.030 -21.526 -2.313 328 1HH2 ARG 47 1HH2 ARG 47 7.925 -23.375 -0.071 329 2HH2 ARG 47 2HH2 ARG 47 7.415 -23.213 -1.719 330 H SER 48 H SER 48 3.277 -15.853 4.292 331 HA SER 48 HA SER 48 5.320 -15.152 6.239 332 1HB SER 48 1HB SER 48 2.543 -14.223 5.530 333 2HB SER 48 2HB SER 48 3.345 -13.587 6.964 334 HG SER 48 HG SER 48 3.912 -12.254 5.319 335 HA PRO 49 HA PRO 49 3.905 -17.416 9.729 336 1HB PRO 49 1HB PRO 49 4.115 -15.611 11.779 337 2HB PRO 49 2HB PRO 49 5.521 -16.373 11.010 338 1HG PRO 49 2HG PRO 49 6.057 -14.163 10.654 339 2HG PRO 49 1HG PRO 49 4.362 -13.658 10.593 340 1HD PRO 49 1HD PRO 49 4.710 -13.654 8.333 341 2HD PRO 49 2HD PRO 49 6.079 -14.780 8.447 342 H LYS 50 H LYS 50 1.917 -17.897 10.685 343 HA LYS 50 HA LYS 50 -0.480 -16.684 9.931 344 1HB LYS 50 1HB LYS 50 -0.140 -18.896 11.039 345 2HB LYS 50 2HB LYS 50 0.175 -18.057 12.557 346 1HG LYS 50 1HG LYS 50 -2.110 -16.953 12.261 347 2HG LYS 50 2HG LYS 50 -2.402 -18.126 10.977 348 1HD LYS 50 1HD LYS 50 -2.806 -19.775 12.467 349 2HD LYS 50 2HD LYS 50 -1.341 -19.400 13.373 350 1HE LYS 50 1HE LYS 50 -3.811 -17.670 13.601 351 2HE LYS 50 2HE LYS 50 -3.570 -19.092 14.632 352 1HZ LYS 50 1HZ LYS 50 -1.243 -18.131 14.988 353 2HZ LYS 50 2HZ LYS 50 -1.877 -16.675 14.387 354 3HZ LYS 50 3HZ LYS 50 -2.528 -17.366 15.793 355 H ASN 51 H ASN 51 1.730 -15.659 12.466 356 HA ASN 51 HA ASN 51 -0.080 -13.994 13.936 357 1HB ASN 51 1HB ASN 51 2.238 -14.765 14.579 358 2HB ASN 51 2HB ASN 51 2.886 -13.603 13.420 359 2HD2 ASN 51 2HD2 ASN 51 3.884 -12.315 15.143 360 1HD2 ASN 51 1HD2 ASN 51 2.942 -11.365 16.188 361 H GLN 52 H GLN 52 1.213 -13.690 10.760 362 HA GLN 52 HA GLN 52 1.050 -10.759 10.651 363 1HB GLN 52 1HB GLN 52 2.189 -12.921 9.180 364 2HB GLN 52 2HB GLN 52 1.110 -12.056 8.089 365 1HG GLN 52 2HG GLN 52 3.368 -11.078 8.025 366 2HG GLN 52 1HG GLN 52 3.312 -10.813 9.767 367 2HE2 GLN 52 2HE2 GLN 52 0.669 -10.301 7.392 368 1HE2 GLN 52 1HE2 GLN 52 0.517 -8.640 7.690 369 H PHE 53 H PHE 53 -1.237 -13.252 10.636 370 HA PHE 53 HA PHE 53 -3.027 -12.075 8.607 371 1HB PHE 53 1HB PHE 53 -3.017 -14.403 10.505 372 2HB PHE 53 2HB PHE 53 -4.536 -13.901 9.771 373 HD1 PHE 53 HD1 PHE 53 -0.976 -14.615 8.817 374 HD2 PHE 53 HD2 PHE 53 -5.119 -14.768 7.695 375 HE1 PHE 53 HE1 PHE 53 -0.366 -15.803 6.727 376 HE2 PHE 53 HE2 PHE 53 -4.510 -15.958 5.607 377 HZ PHE 53 HZ PHE 53 -2.135 -16.476 5.123 378 H LYS 54 H LYS 54 -4.602 -10.576 9.070 379 HA LYS 54 HA LYS 54 -5.192 -10.031 11.960 380 1HB LYS 54 1HB LYS 54 -3.963 -8.368 10.263 381 2HB LYS 54 2HB LYS 54 -5.625 -8.012 9.792 382 1HG LYS 54 1HG LYS 54 -4.609 -7.940 12.649 383 2HG LYS 54 2HG LYS 54 -4.771 -6.518 11.618 384 1HD LYS 54 1HD LYS 54 -7.239 -7.656 11.328 385 2HD LYS 54 2HD LYS 54 -6.859 -8.098 12.992 386 1HE LYS 54 1HE LYS 54 -6.876 -5.900 13.716 387 2HE LYS 54 2HE LYS 54 -6.300 -5.277 12.159 388 1HZ LYS 54 1HZ LYS 54 -8.502 -6.118 11.250 389 2HZ LYS 54 2HZ LYS 54 -9.013 -6.247 12.865 390 3HZ LYS 54 3HZ LYS 54 -8.574 -4.734 12.229 391 H SER 55 H SER 55 -7.334 -10.265 12.536 392 HA SER 55 HA SER 55 -9.251 -11.408 10.775 393 1HB SER 55 1HB SER 55 -10.818 -10.896 12.620 394 2HB SER 55 2HB SER 55 -9.305 -11.548 13.221 395 HG SER 55 HG SER 55 -9.368 -9.818 14.418 396 H ILE 56 H ILE 56 -11.480 -10.296 10.548 397 HA ILE 56 HA ILE 56 -11.450 -7.400 10.034 398 HB ILE 56 HB ILE 56 -12.073 -7.864 7.570 399 1HG1 ILE 56 1HG1 ILE 56 -10.596 -10.451 8.087 400 2HG1 ILE 56 2HG1 ILE 56 -12.356 -10.365 8.025 401 1HG2 ILE 56 1HG2 ILE 56 -9.837 -7.003 8.505 402 2HG2 ILE 56 2HG2 ILE 56 -9.244 -8.648 8.269 403 3HG2 ILE 56 3HG2 ILE 56 -9.811 -7.706 6.888 404 1HD1 ILE 56 1HD1 ILE 56 -10.898 -9.067 5.784 405 2HD1 ILE 56 2HD1 ILE 56 -10.827 -10.829 5.841 406 3HD1 ILE 56 3HD1 ILE 56 -12.387 -10.012 5.759 407 H LYS 57 H LYS 57 -13.280 -7.403 11.441 408 HA LYS 57 HA LYS 57 -15.710 -8.845 10.430 409 1HB LYS 57 1HB LYS 57 -16.435 -8.610 12.827 410 2HB LYS 57 2HB LYS 57 -14.946 -9.536 12.644 411 1HG LYS 57 1HG LYS 57 -13.720 -7.983 13.756 412 2HG LYS 57 2HG LYS 57 -14.498 -6.644 12.913 413 1HD LYS 57 1HD LYS 57 -16.569 -7.355 14.421 414 2HD LYS 57 2HD LYS 57 -15.298 -8.010 15.453 415 1HE LYS 57 1HE LYS 57 -14.377 -5.898 15.876 416 2HE LYS 57 2HE LYS 57 -15.043 -5.202 14.386 417 1HZ LYS 57 1HZ LYS 57 -17.294 -5.700 15.369 418 2HZ LYS 57 2HZ LYS 57 -16.510 -6.002 16.843 419 3HZ LYS 57 3HZ LYS 57 -16.429 -4.457 16.140 420 H LYS 58 H LYS 58 -15.733 -6.808 8.933 421 HA LYS 58 HA LYS 58 -17.222 -4.619 10.346 422 1HB LYS 58 1HB LYS 58 -14.728 -4.404 9.319 423 2HB LYS 58 2HB LYS 58 -15.671 -4.028 7.876 424 1HG LYS 58 1HG LYS 58 -16.739 -2.184 8.927 425 2HG LYS 58 2HG LYS 58 -16.232 -2.703 10.534 426 1HD LYS 58 2HD LYS 58 -13.808 -2.434 9.521 427 2HD LYS 58 1HD LYS 58 -14.682 -1.017 10.104 428 1HE LYS 58 1HE LYS 58 -14.507 -1.965 7.220 429 2HE LYS 58 2HE LYS 58 -15.494 -0.599 7.776 430 1HZ LYS 58 1HZ LYS 58 -13.446 0.325 8.794 431 2HZ LYS 58 2HZ LYS 58 -12.548 -0.916 8.058 432 3HZ LYS 58 3HZ LYS 58 -13.358 0.232 7.102 433 H VAL 59 H VAL 59 -19.092 -6.072 9.616 434 HA VAL 59 HA VAL 59 -19.640 -6.203 6.734 435 HB VAL 59 HB VAL 59 -21.277 -6.853 9.208 436 1HG1 VAL 59 1HG1 VAL 59 -21.692 -7.366 6.260 437 2HG1 VAL 59 2HG1 VAL 59 -22.456 -8.372 7.491 438 3HG1 VAL 59 3HG1 VAL 59 -22.817 -6.648 7.413 439 1HG2 VAL 59 1HG2 VAL 59 -19.001 -8.114 8.033 440 2HG2 VAL 59 2HG2 VAL 59 -19.991 -8.692 9.374 441 3HG2 VAL 59 3HG2 VAL 59 -20.403 -9.136 7.717 442 H ILE 60 H ILE 60 -20.490 -4.471 5.655 443 HA ILE 60 HA ILE 60 -22.672 -2.893 6.864 444 HB ILE 60 HB ILE 60 -20.660 -1.829 7.753 445 1HG1 ILE 60 1HG1 ILE 60 -21.067 0.175 5.697 446 2HG1 ILE 60 2HG1 ILE 60 -22.604 -0.552 6.166 447 1HG2 ILE 60 1HG2 ILE 60 -19.736 -2.281 4.974 448 2HG2 ILE 60 2HG2 ILE 60 -19.257 -0.741 5.687 449 3HG2 ILE 60 3HG2 ILE 60 -18.813 -2.255 6.477 450 1HD1 ILE 60 1HD1 ILE 60 -21.890 -0.187 8.586 451 2HD1 ILE 60 2HD1 ILE 60 -20.572 0.802 7.955 452 3HD1 ILE 60 3HD1 ILE 60 -22.247 1.277 7.670 453 H ALA 61 H ALA 61 -23.403 -4.232 4.820 454 HA ALA 61 HA ALA 61 -22.571 -3.324 2.201 455 1HB ALA 61 3HB ALA 61 -23.563 -5.386 2.071 456 2HB ALA 61 1HB ALA 61 -24.619 -5.071 3.448 457 3HB ALA 61 2HB ALA 61 -25.032 -4.435 1.855 458 H GLY 62 H GLY 62 -24.248 -2.300 0.675 459 1HA GLY 62 1HA GLY 62 -26.482 -0.911 1.024 460 2HA GLY 62 2HA GLY 62 -25.417 0.063 2.037 461 H PHE 63 H PHE 63 -23.134 -0.621 0.131 462 HA PHE 63 HA PHE 63 -23.442 1.701 -1.599 463 1HB PHE 63 1HB PHE 63 -21.375 0.481 -0.423 464 2HB PHE 63 2HB PHE 63 -21.313 -0.370 -1.967 465 HD1 PHE 63 HD1 PHE 63 -21.751 3.123 -0.657 466 HD2 PHE 63 HD2 PHE 63 -20.060 0.586 -3.682 467 HE1 PHE 63 HE1 PHE 63 -20.661 5.091 -1.698 468 HE2 PHE 63 HE2 PHE 63 -18.969 2.554 -4.724 469 HZ PHE 63 HZ PHE 63 -19.270 4.807 -3.733 470 H ALA 64 H ALA 64 -22.679 1.267 -4.033 471 HA ALA 64 HA ALA 64 -24.242 -1.058 -5.109 472 1HB ALA 64 3HB ALA 64 -25.611 0.458 -6.071 473 2HB ALA 64 2HB ALA 64 -24.233 1.170 -6.911 474 3HB ALA 64 1HB ALA 64 -24.691 1.759 -5.313 475 H GLU 65 H GLU 65 -23.440 -1.867 -7.170 476 HA GLU 65 HA GLU 65 -20.522 -1.461 -7.507 477 1HB GLU 65 1HB GLU 65 -21.687 -3.706 -7.347 478 2HB GLU 65 2HB GLU 65 -22.435 -3.356 -8.905 479 1HG GLU 65 1HG GLU 65 -20.577 -4.404 -9.726 480 2HG GLU 65 2HG GLU 65 -19.836 -2.822 -9.488 481 H ASN 66 H ASN 66 -19.607 -0.752 -9.497 482 HA ASN 66 HA ASN 66 -21.486 0.752 -11.262 483 1HB ASN 66 1HB ASN 66 -18.914 1.194 -10.069 484 2HB ASN 66 2HB ASN 66 -18.734 1.254 -11.823 485 2HD2 ASN 66 2HD2 ASN 66 -19.375 3.226 -9.231 486 1HD2 ASN 66 1HD2 ASN 66 -20.311 4.415 -10.002 487 H GLN 67 H GLN 67 -18.377 -0.981 -11.746 488 HA GLN 67 HA GLN 67 -19.610 -2.385 -14.080 489 1HB GLN 67 1HB GLN 67 -17.034 -0.780 -14.019 490 2HB GLN 67 2HB GLN 67 -17.567 -1.763 -15.382 491 1HG GLN 67 1HG GLN 67 -19.646 -0.405 -15.518 492 2HG GLN 67 2HG GLN 67 -19.053 0.603 -14.199 493 2HE2 GLN 67 2HE2 GLN 67 -19.403 0.809 -17.408 494 1HE2 GLN 67 1HE2 GLN 67 -18.000 1.664 -17.837 495 H LYS 68 H LYS 68 -16.585 -2.078 -12.169 496 HA LYS 68 HA LYS 68 -16.596 -4.941 -11.553 497 1HB LYS 68 1HB LYS 68 -15.124 -3.768 -13.839 498 2HB LYS 68 2HB LYS 68 -14.175 -4.848 -12.818 499 1HG LYS 68 1HG LYS 68 -16.710 -6.076 -13.179 500 2HG LYS 68 2HG LYS 68 -16.180 -5.525 -14.769 501 1HD LYS 68 1HD LYS 68 -14.633 -7.161 -14.881 502 2HD LYS 68 2HD LYS 68 -13.964 -6.699 -13.317 503 1HE LYS 68 1HE LYS 68 -16.568 -8.189 -13.353 504 2HE LYS 68 2HE LYS 68 -15.066 -9.092 -13.631 505 1HZ LYS 68 1HZ LYS 68 -14.182 -7.774 -11.652 506 2HZ LYS 68 2HZ LYS 68 -15.804 -7.405 -11.309 507 3HZ LYS 68 3HZ LYS 68 -15.280 -9.020 -11.311 508 H TYR 69 H TYR 69 -15.089 -5.413 -9.883 509 HA TYR 69 HA TYR 69 -14.275 -3.321 -8.152 510 1HB TYR 69 1HB TYR 69 -13.343 -6.176 -8.554 511 2HB TYR 69 2HB TYR 69 -12.841 -5.187 -7.183 512 HD1 TYR 69 HD1 TYR 69 -15.155 -3.715 -6.373 513 HD2 TYR 69 HD2 TYR 69 -14.938 -7.736 -7.869 514 HE1 TYR 69 HE1 TYR 69 -17.270 -4.265 -5.202 515 HE2 TYR 69 HE2 TYR 69 -17.053 -8.287 -6.696 516 HH TYR 69 HH TYR 69 -18.895 -7.341 -5.692 517 H GLY 70 H GLY 70 -13.036 -1.710 -9.227 518 1HA GLY 70 1HA GLY 70 -10.214 -2.403 -9.648 519 2HA GLY 70 2HA GLY 70 -11.057 -1.841 -11.093 No H/Q in entry = 519 Start of MODEL 13 1 H1 MET 1 1H MET 1 -20.504 -6.360 1.007 2 H2 MET 1 2H MET 1 -20.295 -6.852 -0.602 3 H3 MET 1 3H MET 1 -20.922 -7.939 0.543 4 HA MET 1 HA MET 1 -18.699 -8.604 0.307 5 1HB MET 1 1HB MET 1 -18.439 -5.646 -0.014 6 2HB MET 1 2HB MET 1 -17.033 -6.517 0.599 7 1HG MET 1 1HG MET 1 -17.769 -8.150 -1.448 8 2HG MET 1 2HG MET 1 -18.276 -6.587 -2.089 9 1HE MET 1 1HE MET 1 -15.879 -8.670 -0.434 10 2HE MET 1 2HE MET 1 -14.350 -8.448 -1.296 11 3HE MET 1 3HE MET 1 -14.705 -7.487 0.138 12 H GLU 2 H GLU 2 -20.358 -8.572 2.561 13 HA GLU 2 HA GLU 2 -19.074 -7.232 4.814 14 1HB GLU 2 1HB GLU 2 -20.744 -8.575 6.087 15 2HB GLU 2 2HB GLU 2 -21.480 -7.739 4.719 16 1HG GLU 2 1HG GLU 2 -22.268 -9.749 4.059 17 2HG GLU 2 2HG GLU 2 -20.604 -10.171 3.653 18 H ILE 3 H ILE 3 -17.743 -8.211 6.399 19 HA ILE 3 HA ILE 3 -16.927 -11.047 6.005 20 HB ILE 3 HB ILE 3 -14.522 -10.240 6.071 21 1HG1 ILE 3 1HG1 ILE 3 -15.878 -7.562 5.615 22 2HG1 ILE 3 2HG1 ILE 3 -14.945 -8.018 7.039 23 1HG2 ILE 3 1HG2 ILE 3 -16.131 -10.652 3.965 24 2HG2 ILE 3 2HG2 ILE 3 -15.784 -8.943 3.700 25 3HG2 ILE 3 3HG2 ILE 3 -14.464 -10.110 3.771 26 1HD1 ILE 3 1HD1 ILE 3 -13.372 -8.556 4.699 27 2HD1 ILE 3 2HD1 ILE 3 -13.980 -6.903 4.603 28 3HD1 ILE 3 3HD1 ILE 3 -13.040 -7.416 6.004 29 H ASP 4 H ASP 4 -16.676 -12.016 7.987 30 HA ASP 4 HA ASP 4 -15.532 -10.750 10.307 31 1HB ASP 4 1HB ASP 4 -17.584 -9.427 10.204 32 2HB ASP 4 2HB ASP 4 -18.557 -10.890 10.111 33 H GLU 5 H GLU 5 -17.499 -13.331 8.948 34 HA GLU 5 HA GLU 5 -17.620 -15.056 11.228 35 1HB GLU 5 1HB GLU 5 -18.801 -15.062 8.889 36 2HB GLU 5 2HB GLU 5 -17.398 -15.997 8.374 37 1HG GLU 5 1HG GLU 5 -17.863 -17.743 9.922 38 2HG GLU 5 2HG GLU 5 -19.004 -16.744 10.823 39 H GLY 6 H GLY 6 -15.300 -14.627 11.971 40 1HA GLY 6 1HA GLY 6 -13.091 -15.356 12.245 41 2HA GLY 6 2HA GLY 6 -13.642 -16.878 11.553 42 H LYS 7 H LYS 7 -14.046 -14.021 9.620 43 HA LYS 7 HA LYS 7 -12.224 -15.094 7.586 44 1HB LYS 7 1HB LYS 7 -13.793 -12.501 7.799 45 2HB LYS 7 2HB LYS 7 -13.060 -13.131 6.324 46 1HG LYS 7 1HG LYS 7 -14.692 -15.163 7.585 47 2HG LYS 7 2HG LYS 7 -15.639 -13.700 7.316 48 1HD LYS 7 1HD LYS 7 -14.179 -13.956 4.967 49 2HD LYS 7 2HD LYS 7 -14.592 -15.622 5.372 50 1HE LYS 7 1HE LYS 7 -16.995 -14.757 5.748 51 2HE LYS 7 2HE LYS 7 -16.466 -13.292 4.899 52 1HZ LYS 7 1HZ LYS 7 -15.874 -15.978 3.813 53 2HZ LYS 7 2HZ LYS 7 -17.376 -15.245 3.509 54 3HZ LYS 7 3HZ LYS 7 -15.948 -14.492 2.992 55 H TYR 8 H TYR 8 -10.029 -14.732 7.772 56 HA TYR 8 HA TYR 8 -9.143 -12.191 9.103 57 1HB TYR 8 1HB TYR 8 -8.084 -14.999 8.913 58 2HB TYR 8 2HB TYR 8 -6.967 -13.675 9.239 59 HD1 TYR 8 HD1 TYR 8 -10.444 -14.583 10.322 60 HD2 TYR 8 HD2 TYR 8 -6.493 -13.395 11.505 61 HE1 TYR 8 HE1 TYR 8 -11.169 -14.572 12.688 62 HE2 TYR 8 HE2 TYR 8 -7.214 -13.389 13.881 63 HH TYR 8 HH TYR 8 -8.956 -14.417 15.276 64 H GLU 9 H GLU 9 -7.615 -10.888 8.044 65 HA GLU 9 HA GLU 9 -7.029 -11.616 5.192 66 1HB GLU 9 1HB GLU 9 -8.534 -9.605 5.944 67 2HB GLU 9 2HB GLU 9 -7.000 -8.833 6.347 68 1HG GLU 9 1HG GLU 9 -6.409 -9.780 3.878 69 2HG GLU 9 2HG GLU 9 -8.141 -9.507 3.690 70 H CYS 10 H CYS 10 -4.871 -11.667 4.597 71 HA CYS 10 HA CYS 10 -2.812 -11.531 6.648 72 1HB CYS 10 1HB CYS 10 -3.052 -12.937 4.444 73 2HB CYS 10 2HB CYS 10 -2.351 -11.522 3.684 74 H GLU 11 H GLU 11 -2.119 -9.539 7.391 75 HA GLU 11 HA GLU 11 -2.351 -7.092 5.850 76 1HB GLU 11 1HB GLU 11 -1.677 -7.984 8.481 77 2HB GLU 11 2HB GLU 11 -0.368 -6.949 7.915 78 1HG GLU 11 1HG GLU 11 -3.287 -6.171 7.711 79 2HG GLU 11 2HG GLU 11 -2.270 -5.732 9.083 80 H ALA 12 H ALA 12 -0.151 -9.711 5.763 81 HA ALA 12 HA ALA 12 2.199 -8.159 4.946 82 1HB ALA 12 1HB ALA 12 1.445 -11.057 5.272 83 2HB ALA 12 2HB ALA 12 2.969 -10.609 4.504 84 3HB ALA 12 3HB ALA 12 2.643 -10.121 6.166 85 H CYS 13 H CYS 13 -0.221 -10.271 3.304 86 HA CYS 13 HA CYS 13 0.914 -9.237 0.731 87 1HB CYS 13 2HB CYS 13 1.352 -11.659 1.420 88 2HB CYS 13 1HB CYS 13 0.682 -11.417 -0.189 89 H GLY 14 H GLY 14 -2.035 -10.112 2.480 90 1HA GLY 14 1HA GLY 14 -4.016 -8.670 2.074 91 2HA GLY 14 2HA GLY 14 -3.559 -8.634 0.372 92 H TYR 15 H TYR 15 -3.260 -11.640 2.058 93 HA TYR 15 HA TYR 15 -5.275 -12.874 0.316 94 1HB TYR 15 1HB TYR 15 -3.174 -14.002 0.726 95 2HB TYR 15 2HB TYR 15 -3.375 -13.850 2.470 96 HD1 TYR 15 HD1 TYR 15 -4.967 -15.251 3.689 97 HD2 TYR 15 HD2 TYR 15 -4.448 -15.650 -0.557 98 HE1 TYR 15 HE1 TYR 15 -6.176 -17.414 3.746 99 HE2 TYR 15 HE2 TYR 15 -5.655 -17.815 -0.500 100 HH TYR 15 HH TYR 15 -7.234 -19.002 0.886 101 H ILE 16 H ILE 16 -7.016 -14.243 1.279 102 HA ILE 16 HA ILE 16 -7.984 -13.156 3.905 103 HB ILE 16 HB ILE 16 -9.340 -13.718 1.262 104 1HG1 ILE 16 2HG1 ILE 16 -9.115 -11.366 3.146 105 2HG1 ILE 16 1HG1 ILE 16 -10.295 -11.411 1.837 106 1HG2 ILE 16 1HG2 ILE 16 -10.518 -13.788 4.013 107 2HG2 ILE 16 2HG2 ILE 16 -11.450 -13.011 2.732 108 3HG2 ILE 16 3HG2 ILE 16 -10.973 -14.703 2.575 109 1HD1 ILE 16 1HD1 ILE 16 -7.971 -12.183 0.564 110 2HD1 ILE 16 2HD1 ILE 16 -8.634 -10.549 0.556 111 3HD1 ILE 16 3HD1 ILE 16 -7.389 -10.989 1.724 112 H TYR 17 H TYR 17 -7.907 -14.801 5.394 113 HA TYR 17 HA TYR 17 -7.923 -17.616 4.562 114 1HB TYR 17 1HB TYR 17 -6.462 -16.883 6.355 115 2HB TYR 17 2HB TYR 17 -7.818 -16.169 7.227 116 HD1 TYR 17 HD1 TYR 17 -6.540 -19.429 5.904 117 HD2 TYR 17 HD2 TYR 17 -9.057 -17.452 8.772 118 HE1 TYR 17 HE1 TYR 17 -6.977 -21.601 7.020 119 HE2 TYR 17 HE2 TYR 17 -9.493 -19.625 9.887 120 HH TYR 17 HH TYR 17 -9.215 -22.399 8.679 121 H GLU 18 H GLU 18 -9.733 -18.847 4.439 122 HA GLU 18 HA GLU 18 -12.278 -17.790 5.599 123 1HB GLU 18 2HB GLU 18 -13.298 -19.283 3.904 124 2HB GLU 18 1HB GLU 18 -11.695 -19.863 3.456 125 1HG GLU 18 1HG GLU 18 -12.859 -17.101 3.079 126 2HG GLU 18 2HG GLU 18 -11.120 -17.387 3.018 127 HA PRO 19 HA PRO 19 -11.482 -21.182 8.482 128 1HB PRO 19 1HB PRO 19 -13.503 -20.537 10.216 129 2HB PRO 19 2HB PRO 19 -11.918 -19.762 10.228 130 1HG PRO 19 1HG PRO 19 -14.485 -18.775 9.118 131 2HG PRO 19 2HG PRO 19 -13.194 -17.894 9.939 132 1HD PRO 19 1HD PRO 19 -13.553 -17.892 7.222 133 2HD PRO 19 2HD PRO 19 -11.990 -17.611 8.017 134 H GLU 20 H GLU 20 -14.899 -20.284 8.119 135 HA GLU 20 HA GLU 20 -16.106 -22.778 8.327 136 1HB GLU 20 1HB GLU 20 -17.034 -20.379 7.936 137 2HB GLU 20 2HB GLU 20 -16.925 -20.779 6.222 138 1HG GLU 20 1HG GLU 20 -18.813 -22.002 6.348 139 2HG GLU 20 2HG GLU 20 -18.133 -22.973 7.653 140 H LYS 21 H LYS 21 -14.201 -21.557 5.640 141 HA LYS 21 HA LYS 21 -14.999 -23.832 3.906 142 1HB LYS 21 1HB LYS 21 -14.392 -21.179 3.475 143 2HB LYS 21 2HB LYS 21 -12.882 -21.978 3.038 144 1HG LYS 21 1HG LYS 21 -13.987 -23.369 1.424 145 2HG LYS 21 2HG LYS 21 -15.580 -22.881 2.004 146 1HD LYS 21 1HD LYS 21 -15.257 -21.581 0.052 147 2HD LYS 21 2HD LYS 21 -14.861 -20.480 1.371 148 1HE LYS 21 1HE LYS 21 -12.992 -20.163 0.013 149 2HE LYS 21 2HE LYS 21 -12.413 -21.528 0.987 150 1HZ LYS 21 1HZ LYS 21 -13.502 -22.997 -0.710 151 2HZ LYS 21 2HZ LYS 21 -13.717 -21.624 -1.682 152 3HZ LYS 21 3HZ LYS 21 -12.150 -22.141 -1.281 153 H GLY 22 H GLY 22 -12.274 -22.637 5.802 154 1HA GLY 22 1HA GLY 22 -10.494 -23.959 6.669 155 2HA GLY 22 2HA GLY 22 -11.022 -25.292 5.645 156 H ASP 23 H ASP 23 -8.303 -24.287 5.962 157 HA ASP 23 HA ASP 23 -7.652 -22.844 3.482 158 1HB ASP 23 1HB ASP 23 -6.521 -23.299 6.041 159 2HB ASP 23 2HB ASP 23 -5.417 -24.038 4.882 160 H LYS 24 H LYS 24 -8.905 -24.931 2.513 161 HA LYS 24 HA LYS 24 -7.821 -27.477 2.269 162 1HB LYS 24 1HB LYS 24 -9.335 -25.587 0.534 163 2HB LYS 24 2HB LYS 24 -8.672 -27.021 -0.250 164 1HG LYS 24 1HG LYS 24 -9.725 -28.109 2.025 165 2HG LYS 24 2HG LYS 24 -10.857 -26.792 1.727 166 1HD LYS 24 1HD LYS 24 -11.805 -28.463 0.422 167 2HD LYS 24 2HD LYS 24 -10.745 -27.698 -0.762 168 1HE LYS 24 1HE LYS 24 -9.083 -29.408 -0.519 169 2HE LYS 24 2HE LYS 24 -9.856 -30.046 0.945 170 1HZ LYS 24 1HZ LYS 24 -11.899 -30.329 -0.516 171 2HZ LYS 24 2HZ LYS 24 -10.864 -30.107 -1.844 172 3HZ LYS 24 3HZ LYS 24 -10.621 -31.414 -0.793 173 H PHE 25 H PHE 25 -6.548 -24.489 0.934 174 HA PHE 25 HA PHE 25 -4.683 -25.816 -0.898 175 1HB PHE 25 1HB PHE 25 -5.312 -23.032 0.039 176 2HB PHE 25 2HB PHE 25 -3.804 -23.322 -0.828 177 HD1 PHE 25 HD1 PHE 25 -7.496 -23.483 -1.045 178 HD2 PHE 25 HD2 PHE 25 -3.790 -23.908 -3.174 179 HE1 PHE 25 HE1 PHE 25 -8.733 -23.506 -3.194 180 HE2 PHE 25 HE2 PHE 25 -5.027 -23.932 -5.323 181 HZ PHE 25 HZ PHE 25 -7.499 -23.731 -5.333 182 H ALA 26 H ALA 26 -4.686 -24.811 2.446 183 HA ALA 26 HA ALA 26 -1.722 -25.076 2.626 184 1HB ALA 26 3HB ALA 26 -1.958 -23.523 4.261 185 2HB ALA 26 2HB ALA 26 -3.198 -24.479 5.072 186 3HB ALA 26 1HB ALA 26 -3.643 -23.388 3.759 187 H GLY 27 H GLY 27 -4.722 -26.646 3.558 188 1HA GLY 27 1HA GLY 27 -4.457 -29.147 3.864 189 2HA GLY 27 2HA GLY 27 -3.115 -28.759 4.939 190 H ILE 28 H ILE 28 -6.073 -26.845 4.915 191 HA ILE 28 HA ILE 28 -6.786 -28.048 7.567 192 HB ILE 28 HB ILE 28 -6.727 -25.179 6.592 193 1HG1 ILE 28 1HG1 ILE 28 -5.513 -25.907 9.163 194 2HG1 ILE 28 2HG1 ILE 28 -4.788 -26.739 7.787 195 1HG2 ILE 28 1HG2 ILE 28 -8.317 -26.455 8.724 196 2HG2 ILE 28 2HG2 ILE 28 -7.379 -25.060 9.257 197 3HG2 ILE 28 3HG2 ILE 28 -8.540 -24.893 7.939 198 1HD1 ILE 28 1HD1 ILE 28 -5.316 -23.778 7.655 199 2HD1 ILE 28 2HD1 ILE 28 -3.873 -24.384 8.466 200 3HD1 ILE 28 3HD1 ILE 28 -4.136 -24.734 6.759 201 HA PRO 29 HA PRO 29 -10.598 -28.673 5.277 202 1HB PRO 29 1HB PRO 29 -12.016 -29.795 7.337 203 2HB PRO 29 2HB PRO 29 -10.822 -30.693 6.380 204 1HG PRO 29 2HG PRO 29 -9.940 -30.986 8.494 205 2HG PRO 29 1HG PRO 29 -10.543 -29.424 9.069 206 1HD PRO 29 1HD PRO 29 -8.366 -28.785 8.709 207 2HD PRO 29 2HD PRO 29 -8.097 -30.045 7.485 208 HA PRO 30 HA PRO 30 -13.173 -25.323 6.502 209 1HB PRO 30 1HB PRO 30 -15.723 -26.295 6.343 210 2HB PRO 30 2HB PRO 30 -14.734 -25.945 4.911 211 1HG PRO 30 2HG PRO 30 -15.212 -28.174 4.537 212 2HG PRO 30 1HG PRO 30 -15.263 -28.549 6.267 213 1HD PRO 30 1HD PRO 30 -13.155 -29.365 5.839 214 2HD PRO 30 2HD PRO 30 -12.910 -28.280 4.454 215 H GLY 31 H GLY 31 -15.530 -25.192 7.930 216 1HA GLY 31 1HA GLY 31 -16.219 -25.031 10.177 217 2HA GLY 31 2HA GLY 31 -15.877 -26.759 10.217 218 H THR 32 H THR 32 -13.317 -24.483 9.518 219 HA THR 32 HA THR 32 -12.211 -24.954 12.267 220 HB THR 32 HB THR 32 -10.785 -24.830 9.592 221 HG1 THR 32 HG1 THR 32 -11.811 -26.752 9.709 222 1HG2 THR 32 1HG2 THR 32 -9.531 -24.030 11.657 223 2HG2 THR 32 2HG2 THR 32 -9.692 -25.671 12.283 224 3HG2 THR 32 3HG2 THR 32 -8.791 -25.381 10.795 225 HA PRO 33 HA PRO 33 -12.173 -20.465 12.017 226 1HB PRO 33 1HB PRO 33 -11.413 -20.019 14.603 227 2HB PRO 33 2HB PRO 33 -13.075 -20.436 14.145 228 1HG PRO 33 2HG PRO 33 -12.692 -22.163 15.598 229 2HG PRO 33 1HG PRO 33 -10.945 -22.137 15.327 230 1HD PRO 33 1HD PRO 33 -11.315 -23.933 13.989 231 2HD PRO 33 2HD PRO 33 -13.051 -23.587 13.858 232 H PHE 34 H PHE 34 -10.480 -18.813 12.128 233 HA PHE 34 HA PHE 34 -7.884 -19.661 11.304 234 1HB PHE 34 1HB PHE 34 -8.647 -17.517 10.666 235 2HB PHE 34 2HB PHE 34 -9.151 -17.110 12.299 236 HD1 PHE 34 HD1 PHE 34 -6.286 -17.382 9.992 237 HD2 PHE 34 HD2 PHE 34 -7.544 -16.348 13.966 238 HE1 PHE 34 HE1 PHE 34 -4.102 -16.278 10.398 239 HE2 PHE 34 HE2 PHE 34 -5.361 -15.245 14.372 240 HZ PHE 34 HZ PHE 34 -3.640 -15.208 12.588 241 H VAL 35 H VAL 35 -9.183 -18.831 14.495 242 HA VAL 35 HA VAL 35 -6.687 -18.695 15.902 243 HB VAL 35 HB VAL 35 -8.192 -19.050 17.871 244 1HG1 VAL 35 1HG1 VAL 35 -8.087 -16.917 16.160 245 2HG1 VAL 35 2HG1 VAL 35 -9.817 -17.263 16.172 246 3HG1 VAL 35 3HG1 VAL 35 -8.975 -16.920 17.683 247 1HG2 VAL 35 1HG2 VAL 35 -9.671 -20.580 16.153 248 2HG2 VAL 35 2HG2 VAL 35 -10.280 -19.934 17.677 249 3HG2 VAL 35 3HG2 VAL 35 -10.603 -19.082 16.167 250 H ASP 36 H ASP 36 -8.336 -21.373 14.509 251 HA ASP 36 HA ASP 36 -7.155 -23.339 16.391 252 1HB ASP 36 1HB ASP 36 -9.417 -23.131 14.637 253 2HB ASP 36 2HB ASP 36 -8.458 -24.531 14.152 254 H LEU 37 H LEU 37 -6.266 -21.757 13.496 255 HA LEU 37 HA LEU 37 -5.007 -23.739 11.943 256 1HB LEU 37 1HB LEU 37 -4.322 -20.862 12.595 257 2HB LEU 37 2HB LEU 37 -3.469 -21.779 11.354 258 HG LEU 37 HG LEU 37 -6.455 -21.244 11.434 259 1HD1 LEU 37 1HD1 LEU 37 -4.898 -19.328 10.812 260 2HD1 LEU 37 2HD1 LEU 37 -4.395 -20.298 9.428 261 3HD1 LEU 37 3HD1 LEU 37 -6.073 -19.776 9.575 262 1HD2 LEU 37 1HD2 LEU 37 -4.700 -22.965 9.711 263 2HD2 LEU 37 2HD2 LEU 37 -6.308 -23.305 10.353 264 3HD2 LEU 37 3HD2 LEU 37 -6.116 -22.192 8.998 265 H SER 38 H SER 38 -2.756 -24.452 11.912 266 HA SER 38 HA SER 38 -1.685 -25.379 14.340 267 1HB SER 38 1HB SER 38 -1.162 -25.818 11.790 268 2HB SER 38 2HB SER 38 0.082 -24.592 12.039 269 HG SER 38 HG SER 38 0.639 -26.886 12.462 270 H ASP 39 H ASP 39 -0.063 -24.570 15.752 271 HA ASP 39 HA ASP 39 -0.008 -21.826 16.369 272 1HB ASP 39 1HB ASP 39 1.376 -24.288 17.073 273 2HB ASP 39 2HB ASP 39 2.463 -22.902 17.149 274 H SER 40 H SER 40 1.757 -23.574 13.910 275 HA SER 40 HA SER 40 3.293 -21.070 13.284 276 1HB SER 40 1HB SER 40 5.039 -22.643 12.444 277 2HB SER 40 2HB SER 40 4.696 -22.885 14.158 278 HG SER 40 HG SER 40 4.761 -24.829 12.843 279 H PHE 41 H PHE 41 0.734 -21.417 12.184 280 HA PHE 41 HA PHE 41 0.768 -22.794 9.639 281 1HB PHE 41 1HB PHE 41 -1.316 -22.372 10.726 282 2HB PHE 41 2HB PHE 41 -0.946 -20.674 10.958 283 HD1 PHE 41 HD1 PHE 41 -2.039 -23.228 8.543 284 HD2 PHE 41 HD2 PHE 41 -1.129 -19.069 9.121 285 HE1 PHE 41 HE1 PHE 41 -3.132 -22.687 6.383 286 HE2 PHE 41 HE2 PHE 41 -2.220 -18.529 6.961 287 HZ PHE 41 HZ PHE 41 -3.221 -20.338 5.591 288 H MET 42 H MET 42 1.151 -21.911 7.559 289 HA MET 42 HA MET 42 2.356 -19.160 7.521 290 1HB MET 42 1HB MET 42 3.032 -21.495 5.709 291 2HB MET 42 2HB MET 42 3.933 -19.996 5.904 292 1HG MET 42 1HG MET 42 4.233 -20.661 8.359 293 2HG MET 42 2HG MET 42 3.645 -22.256 7.892 294 1HE MET 42 1HE MET 42 4.598 -23.503 5.753 295 2HE MET 42 2HE MET 42 6.291 -23.933 5.981 296 3HE MET 42 3HE MET 42 5.151 -24.066 7.328 297 H CYS 43 H CYS 43 1.562 -17.777 5.958 298 HA CYS 43 HA CYS 43 -0.936 -18.153 4.715 299 1HB CYS 43 1HB CYS 43 0.410 -16.046 5.127 300 2HB CYS 43 2HB CYS 43 1.378 -16.477 3.720 301 HA PRO 44 HA PRO 44 0.302 -20.849 1.380 302 1HB PRO 44 1HB PRO 44 -2.080 -20.885 0.039 303 2HB PRO 44 2HB PRO 44 -1.793 -21.810 1.525 304 1HG PRO 44 1HG PRO 44 -3.259 -19.257 1.127 305 2HG PRO 44 2HG PRO 44 -3.589 -20.585 2.247 306 1HD PRO 44 1HD PRO 44 -2.380 -18.197 2.933 307 2HD PRO 44 2HD PRO 44 -2.241 -19.705 3.857 308 H ALA 45 H ALA 45 -0.314 -17.552 1.206 309 HA ALA 45 HA ALA 45 0.105 -17.479 -1.754 310 1HB ALA 45 2HB ALA 45 -0.714 -15.059 -0.247 311 2HB ALA 45 1HB ALA 45 -1.880 -16.382 -0.258 312 3HB ALA 45 3HB ALA 45 -1.322 -15.684 -1.779 313 H CYS 46 H CYS 46 1.101 -15.971 1.324 314 HA CYS 46 HA CYS 46 3.584 -15.066 -0.081 315 1HB CYS 46 1HB CYS 46 3.429 -13.029 1.053 316 2HB CYS 46 2HB CYS 46 1.740 -13.419 0.764 317 H ARG 47 H ARG 47 2.588 -17.403 1.953 318 HA ARG 47 HA ARG 47 3.666 -18.772 3.536 319 1HB ARG 47 1HB ARG 47 5.837 -17.422 1.954 320 2HB ARG 47 2HB ARG 47 6.249 -18.560 3.237 321 1HG ARG 47 1HG ARG 47 4.734 -20.241 2.148 322 2HG ARG 47 2HG ARG 47 4.508 -19.109 0.814 323 1HD ARG 47 1HD ARG 47 6.775 -19.280 0.135 324 2HD ARG 47 2HD ARG 47 7.274 -19.973 1.689 325 HE ARG 47 HE ARG 47 5.561 -21.872 0.945 326 1HH1 ARG 47 1HH1 ARG 47 8.548 -21.083 -0.204 327 2HH1 ARG 47 2HH1 ARG 47 8.391 -21.868 -1.741 328 1HH2 ARG 47 1HH2 ARG 47 4.991 -22.453 -1.390 329 2HH2 ARG 47 2HH2 ARG 47 6.377 -22.643 -2.412 330 H SER 48 H SER 48 3.043 -15.841 4.363 331 HA SER 48 HA SER 48 5.191 -15.172 6.241 332 1HB SER 48 1HB SER 48 2.415 -14.177 5.608 333 2HB SER 48 2HB SER 48 3.281 -13.567 7.015 334 HG SER 48 HG SER 48 4.739 -12.636 5.760 335 HA PRO 49 HA PRO 49 3.790 -17.493 9.703 336 1HB PRO 49 1HB PRO 49 4.010 -15.729 11.789 337 2HB PRO 49 2HB PRO 49 5.410 -16.484 11.002 338 1HG PRO 49 1HG PRO 49 4.256 -13.759 10.620 339 2HG PRO 49 2HG PRO 49 5.951 -14.263 10.697 340 1HD PRO 49 1HD PRO 49 4.661 -13.724 8.363 341 2HD PRO 49 2HD PRO 49 5.994 -14.891 8.486 342 H LYS 50 H LYS 50 1.827 -17.988 10.690 343 HA LYS 50 HA LYS 50 -0.586 -16.761 9.967 344 1HB LYS 50 1HB LYS 50 -0.080 -19.016 11.085 345 2HB LYS 50 2HB LYS 50 -0.052 -18.135 12.613 346 1HG LYS 50 1HG LYS 50 -2.372 -17.210 11.828 347 2HG LYS 50 2HG LYS 50 -2.364 -18.597 10.740 348 1HD LYS 50 1HD LYS 50 -2.538 -20.121 12.461 349 2HD LYS 50 2HD LYS 50 -1.653 -19.100 13.595 350 1HE LYS 50 1HE LYS 50 -3.658 -17.560 13.653 351 2HE LYS 50 2HE LYS 50 -4.539 -18.773 12.705 352 1HZ LYS 50 1HZ LYS 50 -3.748 -20.418 14.435 353 2HZ LYS 50 2HZ LYS 50 -3.302 -19.085 15.386 354 3HZ LYS 50 3HZ LYS 50 -4.931 -19.316 14.955 355 H ASN 51 H ASN 51 1.667 -15.794 12.468 356 HA ASN 51 HA ASN 51 -0.136 -14.183 14.024 357 1HB ASN 51 1HB ASN 51 2.247 -15.032 14.521 358 2HB ASN 51 2HB ASN 51 2.807 -13.673 13.545 359 2HD2 ASN 51 2HD2 ASN 51 3.173 -11.793 14.729 360 1HD2 ASN 51 1HD2 ASN 51 2.427 -11.407 16.204 361 H GLN 52 H GLN 52 1.109 -13.797 10.849 362 HA GLN 52 HA GLN 52 1.000 -10.858 10.845 363 1HB GLN 52 1HB GLN 52 2.123 -12.973 9.307 364 2HB GLN 52 2HB GLN 52 1.034 -12.086 8.242 365 1HG GLN 52 1HG GLN 52 3.204 -10.839 9.956 366 2HG GLN 52 2HG GLN 52 3.319 -11.123 8.219 367 2HE2 GLN 52 2HE2 GLN 52 0.715 -10.363 7.401 368 1HE2 GLN 52 1HE2 GLN 52 0.493 -8.711 7.713 369 H PHE 53 H PHE 53 -1.318 -13.326 10.755 370 HA PHE 53 HA PHE 53 -3.098 -12.061 8.772 371 1HB PHE 53 1HB PHE 53 -3.203 -14.411 10.666 372 2HB PHE 53 2HB PHE 53 -4.638 -13.895 9.785 373 HD1 PHE 53 HD1 PHE 53 -1.009 -14.643 9.179 374 HD2 PHE 53 HD2 PHE 53 -5.027 -14.778 7.666 375 HE1 PHE 53 HE1 PHE 53 -0.209 -15.846 7.164 376 HE2 PHE 53 HE2 PHE 53 -4.227 -15.981 5.651 377 HZ PHE 53 HZ PHE 53 -1.819 -16.516 5.401 378 H LYS 54 H LYS 54 -4.788 -10.684 9.266 379 HA LYS 54 HA LYS 54 -5.319 -10.136 12.169 380 1HB LYS 54 1HB LYS 54 -4.027 -8.374 10.946 381 2HB LYS 54 2HB LYS 54 -5.367 -8.223 9.809 382 1HG LYS 54 1HG LYS 54 -6.863 -7.718 11.789 383 2HG LYS 54 2HG LYS 54 -5.409 -7.643 12.783 384 1HD LYS 54 1HD LYS 54 -4.509 -5.864 11.312 385 2HD LYS 54 2HD LYS 54 -5.982 -5.929 10.345 386 1HE LYS 54 1HE LYS 54 -6.410 -5.592 13.262 387 2HE LYS 54 2HE LYS 54 -5.658 -4.214 12.435 388 1HZ LYS 54 1HZ LYS 54 -7.995 -5.651 11.311 389 2HZ LYS 54 2HZ LYS 54 -8.185 -4.338 12.371 390 3HZ LYS 54 3HZ LYS 54 -7.400 -4.119 10.883 391 H SER 55 H SER 55 -7.475 -10.293 12.739 392 HA SER 55 HA SER 55 -9.410 -11.406 10.966 393 1HB SER 55 1HB SER 55 -10.970 -10.850 12.827 394 2HB SER 55 2HB SER 55 -9.488 -11.592 13.395 395 HG SER 55 HG SER 55 -10.484 -9.216 14.027 396 H ILE 56 H ILE 56 -11.613 -10.269 10.712 397 HA ILE 56 HA ILE 56 -11.539 -7.360 10.258 398 HB ILE 56 HB ILE 56 -12.127 -7.756 7.782 399 1HG1 ILE 56 1HG1 ILE 56 -10.680 -10.370 8.161 400 2HG1 ILE 56 2HG1 ILE 56 -12.438 -10.293 8.282 401 1HG2 ILE 56 1HG2 ILE 56 -9.824 -7.092 8.885 402 2HG2 ILE 56 2HG2 ILE 56 -9.336 -8.696 8.340 403 3HG2 ILE 56 3HG2 ILE 56 -9.900 -7.502 7.173 404 1HD1 ILE 56 1HD1 ILE 56 -11.637 -8.819 5.963 405 2HD1 ILE 56 2HD1 ILE 56 -10.838 -10.391 5.920 406 3HD1 ILE 56 3HD1 ILE 56 -12.594 -10.298 6.038 407 H LYS 57 H LYS 57 -13.411 -7.416 11.669 408 HA LYS 57 HA LYS 57 -15.792 -8.890 10.639 409 1HB LYS 57 1HB LYS 57 -16.670 -8.390 12.916 410 2HB LYS 57 2HB LYS 57 -15.117 -9.222 12.981 411 1HG LYS 57 1HG LYS 57 -14.035 -7.407 13.845 412 2HG LYS 57 2HG LYS 57 -14.968 -6.265 12.878 413 1HD LYS 57 1HD LYS 57 -16.892 -7.297 14.554 414 2HD LYS 57 2HD LYS 57 -15.473 -7.272 15.600 415 1HE LYS 57 1HE LYS 57 -15.364 -4.970 15.608 416 2HE LYS 57 2HE LYS 57 -15.941 -4.838 13.935 417 1HZ LYS 57 1HZ LYS 57 -17.646 -5.805 16.167 418 2HZ LYS 57 2HZ LYS 57 -17.589 -4.172 15.706 419 3HZ LYS 57 3HZ LYS 57 -18.139 -5.347 14.610 420 H LYS 58 H LYS 58 -15.562 -7.035 8.888 421 HA LYS 58 HA LYS 58 -17.069 -4.618 9.831 422 1HB LYS 58 1HB LYS 58 -14.621 -4.888 8.536 423 2HB LYS 58 2HB LYS 58 -15.732 -4.490 7.226 424 1HG LYS 58 1HG LYS 58 -15.972 -2.362 7.951 425 2HG LYS 58 2HG LYS 58 -16.201 -2.877 9.622 426 1HD LYS 58 1HD LYS 58 -14.009 -2.559 10.145 427 2HD LYS 58 2HD LYS 58 -13.450 -3.219 8.609 428 1HE LYS 58 1HE LYS 58 -14.767 -0.798 7.968 429 2HE LYS 58 2HE LYS 58 -13.740 -0.446 9.370 430 1HZ LYS 58 1HZ LYS 58 -11.957 -1.733 8.207 431 2HZ LYS 58 2HZ LYS 58 -12.942 -1.753 6.822 432 3HZ LYS 58 3HZ LYS 58 -12.377 -0.278 7.437 433 H VAL 59 H VAL 59 -18.885 -3.972 8.584 434 HA VAL 59 HA VAL 59 -19.827 -5.985 6.568 435 HB VAL 59 HB VAL 59 -21.299 -4.190 8.524 436 1HG1 VAL 59 1HG1 VAL 59 -22.193 -5.165 6.037 437 2HG1 VAL 59 2HG1 VAL 59 -22.892 -6.246 7.242 438 3HG1 VAL 59 3HG1 VAL 59 -23.189 -4.510 7.338 439 1HG2 VAL 59 1HG2 VAL 59 -20.060 -6.468 9.134 440 2HG2 VAL 59 2HG2 VAL 59 -21.643 -6.084 9.812 441 3HG2 VAL 59 3HG2 VAL 59 -21.516 -7.173 8.430 442 H ILE 60 H ILE 60 -18.640 -4.667 4.921 443 HA ILE 60 HA ILE 60 -19.566 -1.918 4.419 444 HB ILE 60 HB ILE 60 -17.795 -3.822 2.853 445 1HG1 ILE 60 1HG1 ILE 60 -16.948 -3.397 5.126 446 2HG1 ILE 60 2HG1 ILE 60 -15.939 -2.586 3.928 447 1HG2 ILE 60 1HG2 ILE 60 -18.764 -1.103 2.381 448 2HG2 ILE 60 2HG2 ILE 60 -17.003 -1.201 2.380 449 3HG2 ILE 60 3HG2 ILE 60 -17.943 -2.207 1.277 450 1HD1 ILE 60 1HD1 ILE 60 -17.365 -0.510 4.317 451 2HD1 ILE 60 2HD1 ILE 60 -18.057 -1.352 5.703 452 3HD1 ILE 60 3HD1 ILE 60 -16.333 -0.983 5.666 453 H ALA 61 H ALA 61 -21.912 -2.792 4.186 454 HA ALA 61 HA ALA 61 -22.524 -4.301 1.749 455 1HB ALA 61 3HB ALA 61 -24.701 -4.289 2.619 456 2HB ALA 61 1HB ALA 61 -23.730 -4.138 4.082 457 3HB ALA 61 2HB ALA 61 -24.492 -2.712 3.379 458 H GLY 62 H GLY 62 -21.502 -2.804 0.176 459 1HA GLY 62 1HA GLY 62 -23.356 -0.589 -0.540 460 2HA GLY 62 2HA GLY 62 -21.628 -0.249 -0.440 461 H PHE 63 H PHE 63 -23.058 -3.259 -1.629 462 HA PHE 63 HA PHE 63 -22.808 -4.328 -3.722 463 1HB PHE 63 1HB PHE 63 -24.267 -2.166 -4.040 464 2HB PHE 63 2HB PHE 63 -22.851 -1.558 -4.897 465 HD1 PHE 63 HD1 PHE 63 -25.402 -4.254 -4.823 466 HD2 PHE 63 HD2 PHE 63 -22.243 -2.395 -7.062 467 HE1 PHE 63 HE1 PHE 63 -26.057 -5.557 -6.828 468 HE2 PHE 63 HE2 PHE 63 -22.897 -3.699 -9.067 469 HZ PHE 63 HZ PHE 63 -24.804 -5.281 -8.950 470 H ALA 64 H ALA 64 -20.372 -4.148 -2.543 471 HA ALA 64 HA ALA 64 -18.455 -2.738 -4.287 472 1HB ALA 64 3HB ALA 64 -17.624 -2.714 -2.154 473 2HB ALA 64 1HB ALA 64 -18.533 -4.151 -1.687 474 3HB ALA 64 2HB ALA 64 -17.016 -4.316 -2.571 475 H GLU 65 H GLU 65 -19.512 -4.244 -6.107 476 HA GLU 65 HA GLU 65 -18.251 -6.939 -6.156 477 1HB GLU 65 1HB GLU 65 -20.416 -5.481 -7.661 478 2HB GLU 65 2HB GLU 65 -19.723 -6.964 -8.318 479 1HG GLU 65 2HG GLU 65 -20.249 -7.424 -5.556 480 2HG GLU 65 1HG GLU 65 -21.040 -8.167 -6.947 481 H ASN 66 H ASN 66 -17.042 -7.586 -8.089 482 HA ASN 66 HA ASN 66 -15.229 -5.493 -9.045 483 1HB ASN 66 1HB ASN 66 -14.580 -7.825 -8.414 484 2HB ASN 66 2HB ASN 66 -15.523 -8.425 -9.778 485 2HD2 ASN 66 2HD2 ASN 66 -12.568 -6.695 -8.882 486 1HD2 ASN 66 1HD2 ASN 66 -11.870 -6.724 -10.429 487 H GLN 67 H GLN 67 -16.481 -4.120 -10.425 488 HA GLN 67 HA GLN 67 -17.569 -5.444 -12.892 489 1HB GLN 67 1HB GLN 67 -19.182 -3.568 -12.914 490 2HB GLN 67 2HB GLN 67 -19.266 -4.448 -11.389 491 1HG GLN 67 1HG GLN 67 -18.017 -2.764 -10.240 492 2HG GLN 67 2HG GLN 67 -17.538 -1.991 -11.752 493 2HE2 GLN 67 2HE2 GLN 67 -20.793 -3.138 -10.722 494 1HE2 GLN 67 1HE2 GLN 67 -21.538 -1.620 -10.860 495 H LYS 68 H LYS 68 -17.789 -3.462 -14.626 496 HA LYS 68 HA LYS 68 -15.022 -2.639 -15.161 497 1HB LYS 68 2HB LYS 68 -15.983 -1.936 -17.293 498 2HB LYS 68 1HB LYS 68 -17.613 -2.037 -16.628 499 1HG LYS 68 1HG LYS 68 -17.212 -4.489 -16.211 500 2HG LYS 68 2HG LYS 68 -17.203 -4.048 -17.919 501 1HD LYS 68 1HD LYS 68 -14.765 -4.015 -17.940 502 2HD LYS 68 2HD LYS 68 -14.716 -4.310 -16.202 503 1HE LYS 68 1HE LYS 68 -16.113 -6.453 -16.774 504 2HE LYS 68 2HE LYS 68 -15.491 -6.203 -18.417 505 1HZ LYS 68 1HZ LYS 68 -13.253 -5.879 -17.274 506 2HZ LYS 68 2HZ LYS 68 -13.966 -6.582 -15.902 507 3HZ LYS 68 3HZ LYS 68 -13.846 -7.467 -17.348 508 H TYR 69 H TYR 69 -14.999 -1.212 -13.132 509 HA TYR 69 HA TYR 69 -16.623 1.141 -12.914 510 1HB TYR 69 1HB TYR 69 -14.130 0.006 -11.779 511 2HB TYR 69 2HB TYR 69 -14.279 1.759 -11.659 512 HD1 TYR 69 HD1 TYR 69 -16.786 2.550 -10.990 513 HD2 TYR 69 HD2 TYR 69 -15.002 -1.234 -10.015 514 HE1 TYR 69 HE1 TYR 69 -18.372 2.288 -9.102 515 HE2 TYR 69 HE2 TYR 69 -16.588 -1.495 -8.126 516 HH TYR 69 HH TYR 69 -18.843 -0.648 -7.491 517 H GLY 70 H GLY 70 -16.694 2.330 -14.871 518 1HA GLY 70 1HA GLY 70 -14.533 4.151 -15.373 519 2HA GLY 70 2HA GLY 70 -14.539 2.887 -16.602 No H/Q in entry = 519 Start of MODEL 14 1 H1 MET 1 1H MET 1 -16.356 -3.753 4.982 2 H2 MET 1 2H MET 1 -16.676 -4.175 3.367 3 H3 MET 1 3H MET 1 -15.916 -2.699 3.727 4 HA MET 1 HA MET 1 -17.859 -1.730 4.539 5 1HB MET 1 1HB MET 1 -18.363 -3.628 2.231 6 2HB MET 1 2HB MET 1 -19.502 -2.363 2.690 7 1HG MET 1 1HG MET 1 -17.881 -0.638 2.261 8 2HG MET 1 2HG MET 1 -16.587 -1.821 2.072 9 1HE MET 1 1HE MET 1 -19.910 -0.774 1.234 10 2HE MET 1 2HE MET 1 -19.793 -0.276 -0.459 11 3HE MET 1 3HE MET 1 -20.404 -1.876 -0.048 12 H GLU 2 H GLU 2 -19.104 -4.937 3.583 13 HA GLU 2 HA GLU 2 -20.354 -5.186 6.299 14 1HB GLU 2 1HB GLU 2 -21.531 -5.447 3.526 15 2HB GLU 2 2HB GLU 2 -22.317 -6.164 4.932 16 1HG GLU 2 1HG GLU 2 -22.787 -4.092 5.892 17 2HG GLU 2 2HG GLU 2 -21.472 -3.284 5.039 18 H ILE 3 H ILE 3 -18.471 -6.686 6.643 19 HA ILE 3 HA ILE 3 -19.161 -9.425 5.734 20 HB ILE 3 HB ILE 3 -16.768 -9.741 4.996 21 1HG1 ILE 3 1HG1 ILE 3 -16.708 -6.718 5.259 22 2HG1 ILE 3 2HG1 ILE 3 -15.817 -7.848 6.279 23 1HG2 ILE 3 1HG2 ILE 3 -18.697 -9.185 3.444 24 2HG2 ILE 3 2HG2 ILE 3 -18.170 -7.504 3.513 25 3HG2 ILE 3 3HG2 ILE 3 -17.103 -8.736 2.838 26 1HD1 ILE 3 1HD1 ILE 3 -14.742 -8.743 4.159 27 2HD1 ILE 3 2HD1 ILE 3 -15.471 -7.382 3.306 28 3HD1 ILE 3 3HD1 ILE 3 -14.289 -7.092 4.583 29 H ASP 4 H ASP 4 -18.483 -10.997 7.221 30 HA ASP 4 HA ASP 4 -16.432 -10.709 9.166 31 1HB ASP 4 1HB ASP 4 -17.886 -10.318 11.147 32 2HB ASP 4 2HB ASP 4 -17.855 -8.931 10.059 33 H GLU 5 H GLU 5 -16.011 -12.822 9.224 34 HA GLU 5 HA GLU 5 -17.843 -14.744 10.391 35 1HB GLU 5 1HB GLU 5 -18.032 -14.185 7.604 36 2HB GLU 5 2HB GLU 5 -17.317 -15.789 7.762 37 1HG GLU 5 1HG GLU 5 -19.588 -15.252 9.580 38 2HG GLU 5 2HG GLU 5 -20.002 -15.305 7.866 39 H GLY 6 H GLY 6 -15.314 -14.172 11.206 40 1HA GLY 6 1HA GLY 6 -13.271 -15.199 11.721 41 2HA GLY 6 2HA GLY 6 -13.956 -16.685 11.073 42 H LYS 7 H LYS 7 -13.968 -13.983 8.928 43 HA LYS 7 HA LYS 7 -12.053 -15.338 7.152 44 1HB LYS 7 1HB LYS 7 -14.029 -13.105 7.074 45 2HB LYS 7 2HB LYS 7 -12.704 -13.027 5.914 46 1HG LYS 7 1HG LYS 7 -13.285 -15.137 4.961 47 2HG LYS 7 2HG LYS 7 -14.372 -15.520 6.296 48 1HD LYS 7 1HD LYS 7 -15.547 -13.259 5.510 49 2HD LYS 7 2HD LYS 7 -14.790 -13.683 3.974 50 1HE LYS 7 1HE LYS 7 -15.814 -16.087 4.541 51 2HE LYS 7 2HE LYS 7 -16.958 -15.103 5.472 52 1HZ LYS 7 1HZ LYS 7 -17.082 -13.644 3.436 53 2HZ LYS 7 2HZ LYS 7 -16.270 -14.871 2.593 54 3HZ LYS 7 3HZ LYS 7 -17.795 -15.177 3.275 55 H TYR 8 H TYR 8 -9.877 -14.930 7.351 56 HA TYR 8 HA TYR 8 -9.056 -12.291 8.516 57 1HB TYR 8 1HB TYR 8 -7.954 -15.094 8.564 58 2HB TYR 8 2HB TYR 8 -6.891 -13.725 8.889 59 HD1 TYR 8 HD1 TYR 8 -10.389 -14.749 9.804 60 HD2 TYR 8 HD2 TYR 8 -6.602 -13.230 11.146 61 HE1 TYR 8 HE1 TYR 8 -11.262 -14.635 12.118 62 HE2 TYR 8 HE2 TYR 8 -7.475 -13.121 13.466 63 HH TYR 8 HH TYR 8 -9.821 -14.686 14.623 64 H GLU 9 H GLU 9 -7.347 -11.142 7.480 65 HA GLU 9 HA GLU 9 -6.726 -12.082 4.702 66 1HB GLU 9 1HB GLU 9 -8.245 -10.150 4.812 67 2HB GLU 9 2HB GLU 9 -7.090 -9.288 5.827 68 1HG GLU 9 1HG GLU 9 -5.424 -9.384 4.000 69 2HG GLU 9 2HG GLU 9 -6.594 -10.226 2.984 70 H CYS 10 H CYS 10 -4.570 -12.089 4.108 71 HA CYS 10 HA CYS 10 -2.538 -11.795 6.181 72 1HB CYS 10 1HB CYS 10 -2.728 -13.374 4.090 73 2HB CYS 10 2HB CYS 10 -2.041 -12.009 3.229 74 H GLU 11 H GLU 11 -1.964 -9.711 6.776 75 HA GLU 11 HA GLU 11 -2.185 -7.414 5.035 76 1HB GLU 11 1HB GLU 11 -1.468 -8.096 7.740 77 2HB GLU 11 2HB GLU 11 -0.254 -7.004 7.080 78 1HG GLU 11 1HG GLU 11 -2.240 -5.586 6.247 79 2HG GLU 11 2HG GLU 11 -3.231 -6.555 7.338 80 H ALA 12 H ALA 12 0.068 -9.986 5.186 81 HA ALA 12 HA ALA 12 2.407 -8.470 4.295 82 1HB ALA 12 3HB ALA 12 2.661 -10.395 5.727 83 2HB ALA 12 2HB ALA 12 3.323 -10.825 4.149 84 3HB ALA 12 1HB ALA 12 1.726 -11.402 4.623 85 H CYS 13 H CYS 13 0.075 -10.763 2.757 86 HA CYS 13 HA CYS 13 1.225 -9.871 0.135 87 1HB CYS 13 2HB CYS 13 1.682 -12.245 0.936 88 2HB CYS 13 1HB CYS 13 0.958 -12.110 -0.663 89 H GLY 14 H GLY 14 -1.747 -10.726 1.870 90 1HA GLY 14 1HA GLY 14 -3.732 -9.293 1.345 91 2HA GLY 14 2HA GLY 14 -3.263 -9.406 -0.351 92 H TYR 15 H TYR 15 -2.948 -12.235 1.614 93 HA TYR 15 HA TYR 15 -4.929 -13.653 -0.027 94 1HB TYR 15 1HB TYR 15 -2.798 -14.688 0.506 95 2HB TYR 15 2HB TYR 15 -3.047 -14.416 2.230 96 HD1 TYR 15 HD1 TYR 15 -4.835 -15.659 3.447 97 HD2 TYR 15 HD2 TYR 15 -3.820 -16.540 -0.631 98 HE1 TYR 15 HE1 TYR 15 -6.014 -17.832 3.625 99 HE2 TYR 15 HE2 TYR 15 -4.997 -18.716 -0.454 100 HH TYR 15 HH TYR 15 -5.782 -20.154 2.356 101 H ILE 16 H ILE 16 -6.714 -14.874 0.987 102 HA ILE 16 HA ILE 16 -7.666 -13.628 3.549 103 HB ILE 16 HB ILE 16 -9.125 -14.472 1.028 104 1HG1 ILE 16 1HG1 ILE 16 -7.917 -12.275 1.026 105 2HG1 ILE 16 2HG1 ILE 16 -9.662 -12.113 0.835 106 1HG2 ILE 16 1HG2 ILE 16 -10.210 -13.531 3.697 107 2HG2 ILE 16 2HG2 ILE 16 -11.161 -13.579 2.213 108 3HG2 ILE 16 3HG2 ILE 16 -10.530 -15.073 2.905 109 1HD1 ILE 16 1HD1 ILE 16 -9.840 -11.684 3.296 110 2HD1 ILE 16 2HD1 ILE 16 -8.082 -11.726 3.394 111 3HD1 ILE 16 3HD1 ILE 16 -8.879 -10.466 2.457 112 H TYR 17 H TYR 17 -7.740 -15.152 5.150 113 HA TYR 17 HA TYR 17 -7.719 -18.021 4.513 114 1HB TYR 17 1HB TYR 17 -6.358 -17.171 6.336 115 2HB TYR 17 2HB TYR 17 -7.759 -16.401 7.082 116 HD1 TYR 17 HD1 TYR 17 -6.386 -19.730 6.071 117 HD2 TYR 17 HD2 TYR 17 -9.131 -17.597 8.601 118 HE1 TYR 17 HE1 TYR 17 -6.902 -21.829 7.288 119 HE2 TYR 17 HE2 TYR 17 -9.642 -19.700 9.813 120 HH TYR 17 HH TYR 17 -8.789 -22.744 8.654 121 H GLU 18 H GLU 18 -9.516 -19.287 4.434 122 HA GLU 18 HA GLU 18 -12.111 -18.131 5.377 123 1HB GLU 18 1HB GLU 18 -11.441 -20.287 3.345 124 2HB GLU 18 2HB GLU 18 -13.066 -19.707 3.710 125 1HG GLU 18 1HG GLU 18 -12.603 -17.544 2.837 126 2HG GLU 18 2HG GLU 18 -10.863 -17.831 2.838 127 HA PRO 19 HA PRO 19 -11.545 -21.358 8.469 128 1HB PRO 19 1HB PRO 19 -13.744 -20.696 9.969 129 2HB PRO 19 2HB PRO 19 -12.188 -19.869 10.087 130 1HG PRO 19 1HG PRO 19 -14.668 -19.027 8.690 131 2HG PRO 19 2HG PRO 19 -13.482 -18.059 9.572 132 1HD PRO 19 1HD PRO 19 -13.595 -18.224 6.839 133 2HD PRO 19 2HD PRO 19 -12.121 -17.839 7.751 134 H GLU 20 H GLU 20 -14.986 -20.687 7.894 135 HA GLU 20 HA GLU 20 -16.023 -23.251 8.075 136 1HB GLU 20 1HB GLU 20 -16.683 -20.866 6.353 137 2HB GLU 20 2HB GLU 20 -17.680 -22.320 6.299 138 1HG GLU 20 1HG GLU 20 -16.985 -20.870 8.867 139 2HG GLU 20 2HG GLU 20 -18.462 -20.566 7.951 140 H LYS 21 H LYS 21 -14.086 -21.958 5.440 141 HA LYS 21 HA LYS 21 -14.731 -24.248 3.677 142 1HB LYS 21 1HB LYS 21 -14.213 -21.622 3.240 143 2HB LYS 21 2HB LYS 21 -12.598 -22.293 3.015 144 1HG LYS 21 2HG LYS 21 -14.266 -24.075 1.661 145 2HG LYS 21 1HG LYS 21 -13.248 -22.839 0.921 146 1HD LYS 21 1HD LYS 21 -16.176 -22.895 1.291 147 2HD LYS 21 2HD LYS 21 -15.418 -21.361 1.721 148 1HE LYS 21 1HE LYS 21 -15.243 -20.854 -0.481 149 2HE LYS 21 2HE LYS 21 -14.231 -22.291 -0.724 150 1HZ LYS 21 1HZ LYS 21 -17.185 -22.430 -0.462 151 2HZ LYS 21 2HZ LYS 21 -16.421 -22.258 -1.967 152 3HZ LYS 21 3HZ LYS 21 -16.129 -23.639 -1.020 153 H GLY 22 H GLY 22 -11.961 -22.948 5.496 154 1HA GLY 22 1HA GLY 22 -10.237 -24.306 6.472 155 2HA GLY 22 2HA GLY 22 -10.755 -25.648 5.452 156 H ASP 23 H ASP 23 -8.048 -24.373 5.847 157 HA ASP 23 HA ASP 23 -7.438 -23.126 3.255 158 1HB ASP 23 1HB ASP 23 -6.442 -22.636 5.593 159 2HB ASP 23 2HB ASP 23 -5.498 -24.107 5.354 160 H LYS 24 H LYS 24 -8.426 -25.406 2.432 161 HA LYS 24 HA LYS 24 -7.059 -27.833 2.482 162 1HB LYS 24 1HB LYS 24 -8.982 -26.461 0.868 163 2HB LYS 24 2HB LYS 24 -7.844 -27.270 -0.210 164 1HG LYS 24 2HG LYS 24 -8.163 -29.317 1.370 165 2HG LYS 24 1HG LYS 24 -9.441 -28.943 0.215 166 1HD LYS 24 1HD LYS 24 -9.459 -28.780 3.162 167 2HD LYS 24 2HD LYS 24 -10.162 -27.381 2.349 168 1HE LYS 24 1HE LYS 24 -11.094 -29.714 0.987 169 2HE LYS 24 2HE LYS 24 -11.341 -29.964 2.726 170 1HZ LYS 24 1HZ LYS 24 -12.145 -27.566 2.734 171 2HZ LYS 24 2HZ LYS 24 -12.247 -27.696 1.043 172 3HZ LYS 24 3HZ LYS 24 -13.187 -28.708 2.030 173 H PHE 25 H PHE 25 -6.068 -24.848 0.926 174 HA PHE 25 HA PHE 25 -4.044 -26.038 -0.794 175 1HB PHE 25 1HB PHE 25 -4.531 -23.233 0.259 176 2HB PHE 25 2HB PHE 25 -3.379 -23.630 -1.016 177 HD1 PHE 25 HD1 PHE 25 -4.208 -24.671 -3.157 178 HD2 PHE 25 HD2 PHE 25 -6.868 -23.074 -0.187 179 HE1 PHE 25 HE1 PHE 25 -6.037 -24.605 -4.830 180 HE2 PHE 25 HE2 PHE 25 -8.698 -23.008 -1.859 181 HZ PHE 25 HZ PHE 25 -8.283 -23.775 -4.182 182 H ALA 26 H ALA 26 -4.200 -25.083 2.555 183 HA ALA 26 HA ALA 26 -1.225 -25.234 2.796 184 1HB ALA 26 3HB ALA 26 -2.361 -23.221 3.650 185 2HB ALA 26 1HB ALA 26 -3.399 -24.227 4.660 186 3HB ALA 26 2HB ALA 26 -1.669 -24.140 4.986 187 H GLY 27 H GLY 27 -4.254 -26.640 3.950 188 1HA GLY 27 1HA GLY 27 -3.948 -29.177 4.315 189 2HA GLY 27 2HA GLY 27 -2.672 -28.696 5.429 190 H ILE 28 H ILE 28 -5.766 -26.980 5.084 191 HA ILE 28 HA ILE 28 -6.523 -28.017 7.793 192 HB ILE 28 HB ILE 28 -6.514 -25.196 6.689 193 1HG1 ILE 28 1HG1 ILE 28 -5.386 -25.751 9.337 194 2HG1 ILE 28 2HG1 ILE 28 -4.582 -26.642 8.045 195 1HG2 ILE 28 1HG2 ILE 28 -7.802 -26.321 9.189 196 2HG2 ILE 28 2HG2 ILE 28 -7.434 -24.608 8.989 197 3HG2 ILE 28 3HG2 ILE 28 -8.579 -25.397 7.904 198 1HD1 ILE 28 1HD1 ILE 28 -5.148 -23.671 7.888 199 2HD1 ILE 28 2HD1 ILE 28 -3.638 -24.325 8.522 200 3HD1 ILE 28 3HD1 ILE 28 -4.092 -24.623 6.844 201 HA PRO 29 HA PRO 29 -10.209 -28.884 5.370 202 1HB PRO 29 1HB PRO 29 -11.639 -30.032 7.407 203 2HB PRO 29 2HB PRO 29 -10.371 -30.891 6.514 204 1HG PRO 29 1HG PRO 29 -10.248 -29.550 9.179 205 2HG PRO 29 2HG PRO 29 -9.550 -31.093 8.664 206 1HD PRO 29 1HD PRO 29 -8.096 -28.812 8.881 207 2HD PRO 29 2HD PRO 29 -7.719 -30.086 7.701 208 HA PRO 30 HA PRO 30 -12.995 -25.639 6.424 209 1HB PRO 30 1HB PRO 30 -15.487 -26.762 6.284 210 2HB PRO 30 2HB PRO 30 -14.505 -26.408 4.848 211 1HG PRO 30 2HG PRO 30 -14.868 -28.678 4.564 212 2HG PRO 30 1HG PRO 30 -14.875 -28.986 6.309 213 1HD PRO 30 1HD PRO 30 -12.721 -29.689 5.851 214 2HD PRO 30 2HD PRO 30 -12.556 -28.595 4.461 215 H GLY 31 H GLY 31 -15.365 -25.584 7.829 216 1HA GLY 31 1HA GLY 31 -16.078 -25.358 10.065 217 2HA GLY 31 2HA GLY 31 -15.685 -27.074 10.161 218 H THR 32 H THR 32 -13.211 -24.690 9.463 219 HA THR 32 HA THR 32 -12.117 -25.090 12.230 220 HB THR 32 HB THR 32 -10.560 -24.813 9.647 221 HG1 THR 32 HG1 THR 32 -10.829 -26.870 9.346 222 1HG2 THR 32 1HG2 THR 32 -9.737 -24.561 12.247 223 2HG2 THR 32 2HG2 THR 32 -9.470 -26.280 11.957 224 3HG2 THR 32 3HG2 THR 32 -8.700 -25.081 10.918 225 HA PRO 33 HA PRO 33 -12.373 -20.599 11.860 226 1HB PRO 33 1HB PRO 33 -11.876 -20.065 14.497 227 2HB PRO 33 2HB PRO 33 -13.471 -20.548 13.887 228 1HG PRO 33 1HG PRO 33 -11.400 -22.161 15.289 229 2HG PRO 33 2HG PRO 33 -13.162 -22.223 15.427 230 1HD PRO 33 1HD PRO 33 -11.663 -24.015 13.985 231 2HD PRO 33 2HD PRO 33 -13.369 -23.651 13.655 232 H PHE 34 H PHE 34 -10.752 -19.002 11.720 233 HA PHE 34 HA PHE 34 -8.078 -19.707 11.271 234 1HB PHE 34 1HB PHE 34 -9.019 -17.627 10.520 235 2HB PHE 34 2HB PHE 34 -9.418 -17.141 12.157 236 HD1 PHE 34 HD1 PHE 34 -7.601 -16.528 13.763 237 HD2 PHE 34 HD2 PHE 34 -6.808 -17.322 9.617 238 HE1 PHE 34 HE1 PHE 34 -5.389 -15.426 13.975 239 HE2 PHE 34 HE2 PHE 34 -4.595 -16.222 9.829 240 HZ PHE 34 HZ PHE 34 -3.887 -15.273 12.008 241 H VAL 35 H VAL 35 -9.628 -18.795 14.323 242 HA VAL 35 HA VAL 35 -7.239 -18.453 15.873 243 HB VAL 35 HB VAL 35 -8.855 -18.805 17.761 244 1HG1 VAL 35 1HG1 VAL 35 -8.638 -16.696 16.145 245 2HG1 VAL 35 2HG1 VAL 35 -10.296 -17.139 15.740 246 3HG1 VAL 35 3HG1 VAL 35 -9.866 -16.756 17.408 247 1HG2 VAL 35 1HG2 VAL 35 -10.167 -20.427 15.966 248 2HG2 VAL 35 2HG2 VAL 35 -10.869 -19.809 17.461 249 3HG2 VAL 35 3HG2 VAL 35 -11.158 -18.969 15.937 250 H ASP 36 H ASP 36 -8.686 -21.294 14.564 251 HA ASP 36 HA ASP 36 -7.444 -23.060 16.611 252 1HB ASP 36 1HB ASP 36 -9.828 -23.238 15.643 253 2HB ASP 36 2HB ASP 36 -9.054 -23.845 14.179 254 H LEU 37 H LEU 37 -6.480 -21.589 13.749 255 HA LEU 37 HA LEU 37 -5.272 -23.609 12.200 256 1HB LEU 37 1HB LEU 37 -4.610 -20.741 12.867 257 2HB LEU 37 2HB LEU 37 -3.594 -21.662 11.758 258 HG LEU 37 HG LEU 37 -6.581 -21.214 11.459 259 1HD1 LEU 37 1HD1 LEU 37 -5.076 -19.232 11.026 260 2HD1 LEU 37 2HD1 LEU 37 -4.292 -20.183 9.764 261 3HD1 LEU 37 3HD1 LEU 37 -5.998 -19.763 9.619 262 1HD2 LEU 37 1HD2 LEU 37 -4.551 -22.845 9.953 263 2HD2 LEU 37 2HD2 LEU 37 -6.189 -23.286 10.438 264 3HD2 LEU 37 3HD2 LEU 37 -5.937 -22.163 9.102 265 H SER 38 H SER 38 -2.720 -23.799 12.104 266 HA SER 38 HA SER 38 -1.839 -25.066 14.544 267 1HB SER 38 2HB SER 38 0.130 -25.522 13.250 268 2HB SER 38 1HB SER 38 -0.159 -24.133 12.203 269 HG SER 38 HG SER 38 -0.883 -26.523 11.696 270 H ASP 39 H ASP 39 -0.118 -24.359 15.956 271 HA ASP 39 HA ASP 39 -0.156 -21.652 16.783 272 1HB ASP 39 1HB ASP 39 1.025 -24.105 17.512 273 2HB ASP 39 2HB ASP 39 2.369 -22.979 17.321 274 H SER 40 H SER 40 1.651 -23.197 14.222 275 HA SER 40 HA SER 40 3.053 -20.594 13.710 276 1HB SER 40 1HB SER 40 4.023 -23.455 13.675 277 2HB SER 40 2HB SER 40 4.875 -22.195 12.784 278 HG SER 40 HG SER 40 5.745 -22.350 14.837 279 H PHE 41 H PHE 41 0.552 -21.293 12.538 280 HA PHE 41 HA PHE 41 0.756 -22.623 10.015 281 1HB PHE 41 1HB PHE 41 -1.392 -22.271 10.942 282 2HB PHE 41 2HB PHE 41 -1.080 -20.580 11.271 283 HD1 PHE 41 HD1 PHE 41 -1.851 -23.050 8.621 284 HD2 PHE 41 HD2 PHE 41 -1.362 -18.889 9.569 285 HE1 PHE 41 HE1 PHE 41 -2.863 -22.433 6.441 286 HE2 PHE 41 HE2 PHE 41 -2.374 -18.273 7.390 287 HZ PHE 41 HZ PHE 41 -3.124 -20.045 5.826 288 H MET 42 H MET 42 1.591 -21.923 8.080 289 HA MET 42 HA MET 42 2.517 -19.076 7.917 290 1HB MET 42 2HB MET 42 4.241 -19.930 6.441 291 2HB MET 42 1HB MET 42 3.452 -21.503 6.350 292 1HG MET 42 1HG MET 42 4.355 -20.365 8.997 293 2HG MET 42 2HG MET 42 4.027 -22.046 8.578 294 1HE MET 42 1HE MET 42 5.641 -23.097 9.324 295 2HE MET 42 2HE MET 42 6.318 -23.735 7.827 296 3HE MET 42 3HE MET 42 7.383 -22.999 9.023 297 H CYS 43 H CYS 43 2.029 -17.912 5.992 298 HA CYS 43 HA CYS 43 -0.453 -18.392 4.719 299 1HB CYS 43 1HB CYS 43 1.024 -16.291 4.894 300 2HB CYS 43 2HB CYS 43 1.901 -16.939 3.509 301 HA PRO 44 HA PRO 44 0.819 -21.551 1.842 302 1HB PRO 44 1HB PRO 44 -1.482 -21.653 0.370 303 2HB PRO 44 2HB PRO 44 -1.335 -22.378 1.981 304 1HG PRO 44 1HG PRO 44 -2.618 -19.828 1.155 305 2HG PRO 44 2HG PRO 44 -3.098 -20.978 2.408 306 1HD PRO 44 1HD PRO 44 -1.796 -18.592 2.876 307 2HD PRO 44 2HD PRO 44 -1.790 -19.980 3.983 308 H ALA 45 H ALA 45 0.409 -18.277 1.199 309 HA ALA 45 HA ALA 45 1.140 -18.647 -1.682 310 1HB ALA 45 1HB ALA 45 -0.846 -17.014 -0.263 311 2HB ALA 45 2HB ALA 45 0.122 -16.092 -1.414 312 3HB ALA 45 3HB ALA 45 -0.798 -17.494 -1.959 313 H CYS 46 H CYS 46 1.648 -16.667 1.245 314 HA CYS 46 HA CYS 46 4.204 -15.741 -0.002 315 1HB CYS 46 2HB CYS 46 2.085 -14.187 0.478 316 2HB CYS 46 1HB CYS 46 3.727 -13.584 0.645 317 H ARG 47 H ARG 47 3.195 -17.891 2.185 318 HA ARG 47 HA ARG 47 4.226 -18.967 4.012 319 1HB ARG 47 1HB ARG 47 6.144 -18.040 2.198 320 2HB ARG 47 2HB ARG 47 6.770 -17.580 3.781 321 1HG ARG 47 1HG ARG 47 6.673 -19.836 4.575 322 2HG ARG 47 2HG ARG 47 5.713 -20.353 3.188 323 1HD ARG 47 1HD ARG 47 7.682 -19.724 1.711 324 2HD ARG 47 2HD ARG 47 8.627 -19.498 3.195 325 HE ARG 47 HE ARG 47 7.172 -22.051 3.045 326 1HH1 ARG 47 1HH1 ARG 47 9.388 -22.306 4.704 327 2HH1 ARG 47 2HH1 ARG 47 10.696 -22.826 3.694 328 1HH2 ARG 47 1HH2 ARG 47 9.155 -21.854 0.744 329 2HH2 ARG 47 2HH2 ARG 47 10.564 -22.571 1.452 330 H SER 48 H SER 48 3.280 -15.895 4.273 331 HA SER 48 HA SER 48 4.851 -14.768 6.390 332 1HB SER 48 1HB SER 48 2.121 -14.446 5.229 333 2HB SER 48 2HB SER 48 2.400 -13.747 6.821 334 HG SER 48 HG SER 48 4.118 -12.582 5.983 335 HA PRO 49 HA PRO 49 3.601 -17.243 9.814 336 1HB PRO 49 1HB PRO 49 3.691 -15.419 11.852 337 2HB PRO 49 2HB PRO 49 5.146 -16.093 11.095 338 1HG PRO 49 2HG PRO 49 5.547 -13.857 10.730 339 2HG PRO 49 1HG PRO 49 3.825 -13.459 10.661 340 1HD PRO 49 1HD PRO 49 4.174 -13.444 8.401 341 2HD PRO 49 2HD PRO 49 5.619 -14.470 8.524 342 H LYS 50 H LYS 50 1.676 -17.746 10.968 343 HA LYS 50 HA LYS 50 -0.792 -16.698 10.099 344 1HB LYS 50 1HB LYS 50 -0.338 -18.855 11.306 345 2HB LYS 50 2HB LYS 50 -0.115 -17.927 12.791 346 1HG LYS 50 1HG LYS 50 -2.461 -16.947 12.286 347 2HG LYS 50 2HG LYS 50 -2.631 -18.303 11.172 348 1HD LYS 50 1HD LYS 50 -2.631 -19.878 12.871 349 2HD LYS 50 2HD LYS 50 -1.664 -18.868 13.947 350 1HE LYS 50 1HE LYS 50 -4.476 -18.067 13.176 351 2HE LYS 50 2HE LYS 50 -4.167 -19.149 14.548 352 1HZ LYS 50 1HZ LYS 50 -2.530 -17.493 15.351 353 2HZ LYS 50 2HZ LYS 50 -3.012 -16.440 14.112 354 3HZ LYS 50 3HZ LYS 50 -4.118 -16.886 15.324 355 H ASN 51 H ASN 51 1.371 -15.516 12.602 356 HA ASN 51 HA ASN 51 -0.536 -13.810 13.936 357 1HB ASN 51 1HB ASN 51 2.018 -14.655 14.356 358 2HB ASN 51 2HB ASN 51 2.324 -13.020 13.773 359 2HD2 ASN 51 2HD2 ASN 51 2.656 -14.035 16.567 360 1HD2 ASN 51 1HD2 ASN 51 1.635 -13.081 17.530 361 H GLN 52 H GLN 52 0.869 -13.668 10.824 362 HA GLN 52 HA GLN 52 0.788 -10.726 10.616 363 1HB GLN 52 1HB GLN 52 2.076 -12.918 9.353 364 2HB GLN 52 2HB GLN 52 1.063 -12.161 8.126 365 1HG GLN 52 1HG GLN 52 3.011 -10.669 9.909 366 2HG GLN 52 2HG GLN 52 3.348 -11.157 8.249 367 2HE2 GLN 52 2HE2 GLN 52 0.902 -10.588 6.988 368 1HE2 GLN 52 1HE2 GLN 52 0.590 -8.922 7.077 369 H PHE 53 H PHE 53 -1.512 -13.197 10.536 370 HA PHE 53 HA PHE 53 -3.110 -12.064 8.315 371 1HB PHE 53 1HB PHE 53 -3.369 -14.357 10.268 372 2HB PHE 53 2HB PHE 53 -4.682 -13.918 9.179 373 HD1 PHE 53 HD1 PHE 53 -0.970 -14.471 9.053 374 HD2 PHE 53 HD2 PHE 53 -4.769 -14.991 7.117 375 HE1 PHE 53 HE1 PHE 53 0.137 -15.714 7.214 376 HE2 PHE 53 HE2 PHE 53 -3.662 -16.234 5.279 377 HZ PHE 53 HZ PHE 53 -1.209 -16.596 5.330 378 H LYS 54 H LYS 54 -4.589 -10.454 8.664 379 HA LYS 54 HA LYS 54 -5.447 -9.908 11.482 380 1HB LYS 54 1HB LYS 54 -4.188 -8.156 10.208 381 2HB LYS 54 2HB LYS 54 -5.481 -8.146 9.008 382 1HG LYS 54 1HG LYS 54 -5.990 -6.350 10.491 383 2HG LYS 54 2HG LYS 54 -7.075 -7.659 10.960 384 1HD LYS 54 1HD LYS 54 -6.176 -7.735 13.024 385 2HD LYS 54 2HD LYS 54 -4.553 -7.908 12.355 386 1HE LYS 54 1HE LYS 54 -4.164 -5.594 12.364 387 2HE LYS 54 2HE LYS 54 -5.896 -5.207 12.346 388 1HZ LYS 54 1HZ LYS 54 -6.084 -6.206 14.556 389 2HZ LYS 54 2HZ LYS 54 -4.417 -6.517 14.574 390 3HZ LYS 54 3HZ LYS 54 -4.981 -4.915 14.567 391 H SER 55 H SER 55 -7.621 -10.119 11.961 392 HA SER 55 HA SER 55 -9.416 -11.418 10.158 393 1HB SER 55 2HB SER 55 -9.563 -11.487 12.603 394 2HB SER 55 1HB SER 55 -11.072 -10.907 11.921 395 HG SER 55 HG SER 55 -10.762 -9.289 13.215 396 H ILE 56 H ILE 56 -11.694 -10.339 9.866 397 HA ILE 56 HA ILE 56 -11.543 -7.468 9.127 398 HB ILE 56 HB ILE 56 -12.250 -8.020 6.794 399 1HG1 ILE 56 1HG1 ILE 56 -11.372 -10.759 6.767 400 2HG1 ILE 56 2HG1 ILE 56 -12.666 -10.578 7.951 401 1HG2 ILE 56 1HG2 ILE 56 -9.800 -7.787 7.615 402 2HG2 ILE 56 2HG2 ILE 56 -9.721 -9.537 7.420 403 3HG2 ILE 56 3HG2 ILE 56 -10.072 -8.510 6.031 404 1HD1 ILE 56 1HD1 ILE 56 -12.955 -9.304 5.245 405 2HD1 ILE 56 2HD1 ILE 56 -13.267 -11.030 5.429 406 3HD1 ILE 56 3HD1 ILE 56 -14.209 -9.861 6.353 407 H LYS 57 H LYS 57 -13.169 -7.636 10.975 408 HA LYS 57 HA LYS 57 -15.803 -8.770 10.162 409 1HB LYS 57 1HB LYS 57 -14.534 -7.808 12.731 410 2HB LYS 57 2HB LYS 57 -16.263 -8.143 12.629 411 1HG LYS 57 1HG LYS 57 -15.642 -10.432 11.709 412 2HG LYS 57 2HG LYS 57 -13.977 -10.070 12.158 413 1HD LYS 57 1HD LYS 57 -14.486 -10.002 14.460 414 2HD LYS 57 2HD LYS 57 -16.212 -9.797 14.163 415 1HE LYS 57 1HE LYS 57 -16.553 -12.049 13.925 416 2HE LYS 57 2HE LYS 57 -15.034 -12.277 13.038 417 1HZ LYS 57 1HZ LYS 57 -15.201 -11.662 15.944 418 2HZ LYS 57 2HZ LYS 57 -15.011 -13.230 15.324 419 3HZ LYS 57 3HZ LYS 57 -13.803 -12.063 15.063 420 H LYS 58 H LYS 58 -15.543 -6.731 8.547 421 HA LYS 58 HA LYS 58 -16.228 -4.138 9.742 422 1HB LYS 58 1HB LYS 58 -15.335 -5.267 7.227 423 2HB LYS 58 2HB LYS 58 -16.677 -4.157 6.954 424 1HG LYS 58 1HG LYS 58 -15.456 -2.337 7.572 425 2HG LYS 58 2HG LYS 58 -14.661 -3.200 8.889 426 1HD LYS 58 1HD LYS 58 -13.066 -4.181 7.415 427 2HD LYS 58 2HD LYS 58 -13.998 -3.732 5.987 428 1HE LYS 58 1HE LYS 58 -12.036 -2.222 6.330 429 2HE LYS 58 2HE LYS 58 -13.568 -1.337 6.461 430 1HZ LYS 58 1HZ LYS 58 -12.208 -2.589 8.786 431 2HZ LYS 58 2HZ LYS 58 -11.953 -0.969 8.341 432 3HZ LYS 58 3HZ LYS 58 -13.498 -1.484 8.811 433 H VAL 59 H VAL 59 -18.304 -3.589 10.282 434 HA VAL 59 HA VAL 59 -20.552 -4.692 8.649 435 HB VAL 59 HB VAL 59 -20.394 -4.639 11.681 436 1HG1 VAL 59 1HG1 VAL 59 -22.590 -4.794 9.880 437 2HG1 VAL 59 2HG1 VAL 59 -22.374 -6.403 10.572 438 3HG1 VAL 59 3HG1 VAL 59 -22.612 -5.012 11.631 439 1HG2 VAL 59 1HG2 VAL 59 -19.854 -6.772 9.632 440 2HG2 VAL 59 2HG2 VAL 59 -18.954 -6.390 11.101 441 3HG2 VAL 59 3HG2 VAL 59 -20.506 -7.220 11.208 442 H ILE 60 H ILE 60 -21.728 -2.943 7.965 443 HA ILE 60 HA ILE 60 -22.247 -0.719 9.879 444 HB ILE 60 HB ILE 60 -20.247 -0.099 8.621 445 1HG1 ILE 60 2HG1 ILE 60 -22.774 1.304 8.443 446 2HG1 ILE 60 1HG1 ILE 60 -21.774 1.659 7.036 447 1HG2 ILE 60 1HG2 ILE 60 -20.791 -1.688 6.708 448 2HG2 ILE 60 2HG2 ILE 60 -21.890 -0.449 6.103 449 3HG2 ILE 60 3HG2 ILE 60 -20.164 -0.113 6.223 450 1HD1 ILE 60 1HD1 ILE 60 -19.896 1.841 8.967 451 2HD1 ILE 60 2HD1 ILE 60 -20.872 3.218 8.458 452 3HD1 ILE 60 3HD1 ILE 60 -21.317 2.308 9.902 453 H ALA 61 H ALA 61 -24.315 0.121 9.616 454 HA ALA 61 HA ALA 61 -26.234 -1.281 7.991 455 1HB ALA 61 3HB ALA 61 -27.527 -0.229 9.514 456 2HB ALA 61 2HB ALA 61 -27.137 1.326 8.777 457 3HB ALA 61 1HB ALA 61 -26.121 0.680 10.065 458 H GLY 62 H GLY 62 -25.466 -1.119 5.786 459 1HA GLY 62 1HA GLY 62 -25.548 1.639 4.637 460 2HA GLY 62 2HA GLY 62 -24.646 0.299 3.929 461 H PHE 63 H PHE 63 -26.215 -1.705 3.518 462 HA PHE 63 HA PHE 63 -28.042 -0.963 1.466 463 1HB PHE 63 1HB PHE 63 -26.863 -3.253 2.489 464 2HB PHE 63 2HB PHE 63 -28.576 -3.514 2.818 465 HD1 PHE 63 HD1 PHE 63 -30.197 -2.844 0.809 466 HD2 PHE 63 HD2 PHE 63 -26.041 -3.848 0.389 467 HE1 PHE 63 HE1 PHE 63 -30.571 -3.396 -1.580 468 HE2 PHE 63 HE2 PHE 63 -26.416 -4.401 -1.999 469 HZ PHE 63 HZ PHE 63 -28.679 -4.174 -2.984 470 H ALA 64 H ALA 64 -30.357 -0.949 1.454 471 HA ALA 64 HA ALA 64 -31.962 -1.425 3.817 472 1HB ALA 64 3HB ALA 64 -32.278 0.795 4.564 473 2HB ALA 64 1HB ALA 64 -30.550 0.731 4.213 474 3HB ALA 64 2HB ALA 64 -31.657 1.481 3.063 475 H GLU 65 H GLU 65 -34.150 -1.480 3.226 476 HA GLU 65 HA GLU 65 -34.883 -0.344 0.552 477 1HB GLU 65 1HB GLU 65 -34.339 -2.779 0.448 478 2HB GLU 65 2HB GLU 65 -35.589 -3.084 1.655 479 1HG GLU 65 1HG GLU 65 -37.289 -2.131 0.145 480 2HG GLU 65 2HG GLU 65 -36.042 -1.807 -1.060 481 H ASN 66 H ASN 66 -36.749 0.840 0.679 482 HA ASN 66 HA ASN 66 -38.805 0.145 2.713 483 1HB ASN 66 1HB ASN 66 -37.022 1.799 3.569 484 2HB ASN 66 2HB ASN 66 -37.710 2.950 2.423 485 2HD2 ASN 66 2HD2 ASN 66 -38.270 4.155 4.535 486 1HD2 ASN 66 1HD2 ASN 66 -39.715 3.735 5.320 487 H GLN 67 H GLN 67 -39.058 -0.242 -0.029 488 HA GLN 67 HA GLN 67 -41.213 1.682 -0.688 489 1HB GLN 67 1HB GLN 67 -38.530 1.777 -1.735 490 2HB GLN 67 2HB GLN 67 -39.646 1.380 -3.041 491 1HG GLN 67 1HG GLN 67 -40.649 3.425 -2.976 492 2HG GLN 67 2HG GLN 67 -40.573 3.514 -1.216 493 2HE2 GLN 67 2HE2 GLN 67 -39.798 5.670 -3.082 494 1HE2 GLN 67 1HE2 GLN 67 -38.148 5.970 -2.818 495 H LYS 68 H LYS 68 -41.270 -1.124 -0.015 496 HA LYS 68 HA LYS 68 -41.287 -2.875 -2.268 497 1HB LYS 68 1HB LYS 68 -42.586 -2.766 0.444 498 2HB LYS 68 2HB LYS 68 -43.001 -4.068 -0.670 499 1HG LYS 68 1HG LYS 68 -41.117 -5.141 -0.068 500 2HG LYS 68 2HG LYS 68 -40.175 -3.808 -0.736 501 1HD LYS 68 1HD LYS 68 -39.634 -3.053 1.322 502 2HD LYS 68 2HD LYS 68 -41.313 -3.120 1.858 503 1HE LYS 68 1HE LYS 68 -41.124 -5.400 2.521 504 2HE LYS 68 2HE LYS 68 -39.617 -5.619 1.613 505 1HZ LYS 68 1HZ LYS 68 -38.662 -3.819 3.041 506 2HZ LYS 68 2HZ LYS 68 -40.060 -3.909 4.004 507 3HZ LYS 68 3HZ LYS 68 -39.025 -5.250 3.878 508 H TYR 69 H TYR 69 -43.887 -0.887 -0.831 509 HA TYR 69 HA TYR 69 -45.862 -1.767 -2.807 510 1HB TYR 69 1HB TYR 69 -46.117 -0.977 -0.330 511 2HB TYR 69 2HB TYR 69 -46.050 0.648 -1.013 512 HD1 TYR 69 HD1 TYR 69 -47.605 1.021 -3.141 513 HD2 TYR 69 HD2 TYR 69 -48.192 -2.027 -0.172 514 HE1 TYR 69 HE1 TYR 69 -49.992 0.847 -3.791 515 HE2 TYR 69 HE2 TYR 69 -50.579 -2.201 -0.823 516 HH TYR 69 HH TYR 69 -51.812 -0.818 -3.668 517 H GLY 70 H GLY 70 -46.339 -0.730 -4.726 518 1HA GLY 70 1HA GLY 70 -45.908 2.050 -5.235 519 2HA GLY 70 2HA GLY 70 -44.558 1.131 -5.902 No H/Q in entry = 519 Start of MODEL 15 1 H1 MET 1 1H MET 1 -16.981 -1.568 4.487 2 H2 MET 1 2H MET 1 -17.022 -1.272 2.815 3 H3 MET 1 3H MET 1 -18.334 -0.815 3.793 4 HA MET 1 HA MET 1 -18.931 -2.813 2.615 5 1HB MET 1 1HB MET 1 -16.129 -3.264 3.167 6 2HB MET 1 2HB MET 1 -17.075 -4.657 3.694 7 1HG MET 1 1HG MET 1 -18.247 -4.521 1.413 8 2HG MET 1 2HG MET 1 -16.956 -3.418 0.938 9 1HE MET 1 1HE MET 1 -16.144 -4.473 -0.819 10 2HE MET 1 2HE MET 1 -15.240 -5.989 -0.924 11 3HE MET 1 3HE MET 1 -17.001 -6.009 -0.935 12 H GLU 2 H GLU 2 -20.230 -4.416 3.688 13 HA GLU 2 HA GLU 2 -20.275 -4.144 6.676 14 1HB GLU 2 1HB GLU 2 -22.167 -3.312 5.064 15 2HB GLU 2 2HB GLU 2 -22.577 -5.022 4.945 16 1HG GLU 2 1HG GLU 2 -22.117 -4.058 7.700 17 2HG GLU 2 2HG GLU 2 -23.519 -3.352 6.896 18 H ILE 3 H ILE 3 -18.637 -5.989 6.621 19 HA ILE 3 HA ILE 3 -20.089 -8.605 6.438 20 HB ILE 3 HB ILE 3 -17.236 -8.077 5.553 21 1HG1 ILE 3 1HG1 ILE 3 -19.713 -8.436 3.837 22 2HG1 ILE 3 2HG1 ILE 3 -18.915 -6.891 4.125 23 1HG2 ILE 3 1HG2 ILE 3 -19.110 -10.441 5.443 24 2HG2 ILE 3 2HG2 ILE 3 -17.723 -10.314 4.363 25 3HG2 ILE 3 3HG2 ILE 3 -17.478 -10.368 6.108 26 1HD1 ILE 3 1HD1 ILE 3 -16.779 -8.000 3.250 27 2HD1 ILE 3 2HD1 ILE 3 -17.814 -9.314 2.689 28 3HD1 ILE 3 3HD1 ILE 3 -18.036 -7.683 2.054 29 H ASP 4 H ASP 4 -18.896 -10.322 7.724 30 HA ASP 4 HA ASP 4 -16.811 -9.778 9.564 31 1HB ASP 4 1HB ASP 4 -18.216 -9.526 11.621 32 2HB ASP 4 2HB ASP 4 -18.329 -8.142 10.537 33 H GLU 5 H GLU 5 -16.164 -11.834 9.658 34 HA GLU 5 HA GLU 5 -17.886 -13.903 10.841 35 1HB GLU 5 1HB GLU 5 -18.029 -13.551 8.140 36 2HB GLU 5 2HB GLU 5 -16.703 -14.708 8.241 37 1HG GLU 5 1HG GLU 5 -18.228 -16.052 9.823 38 2HG GLU 5 2HG GLU 5 -19.535 -15.018 9.246 39 H GLY 6 H GLY 6 -16.134 -16.031 9.705 40 1HA GLY 6 1HA GLY 6 -13.776 -15.505 11.435 41 2HA GLY 6 2HA GLY 6 -14.301 -17.094 10.889 42 H LYS 7 H LYS 7 -14.279 -14.577 8.512 43 HA LYS 7 HA LYS 7 -12.181 -15.980 7.005 44 1HB LYS 7 1HB LYS 7 -14.185 -13.807 6.610 45 2HB LYS 7 2HB LYS 7 -12.770 -13.779 5.558 46 1HG LYS 7 1HG LYS 7 -13.223 -16.215 5.042 47 2HG LYS 7 2HG LYS 7 -14.747 -16.047 5.913 48 1HD LYS 7 1HD LYS 7 -15.096 -13.975 4.332 49 2HD LYS 7 2HD LYS 7 -13.896 -14.783 3.323 50 1HE LYS 7 1HE LYS 7 -15.287 -16.635 2.933 51 2HE LYS 7 2HE LYS 7 -16.254 -16.336 4.389 52 1HZ LYS 7 1HZ LYS 7 -16.110 -14.501 2.052 53 2HZ LYS 7 2HZ LYS 7 -17.371 -15.607 2.317 54 3HZ LYS 7 3HZ LYS 7 -17.112 -14.332 3.410 55 H TYR 8 H TYR 8 -10.046 -15.283 6.818 56 HA TYR 8 HA TYR 8 -9.359 -12.695 8.173 57 1HB TYR 8 1HB TYR 8 -8.138 -15.441 8.214 58 2HB TYR 8 2HB TYR 8 -7.126 -14.036 8.534 59 HD1 TYR 8 HD1 TYR 8 -10.497 -15.368 9.490 60 HD2 TYR 8 HD2 TYR 8 -6.923 -13.358 10.756 61 HE1 TYR 8 HE1 TYR 8 -11.376 -15.287 11.804 62 HE2 TYR 8 HE2 TYR 8 -7.798 -13.276 13.078 63 HH TYR 8 HH TYR 8 -10.723 -13.484 13.950 64 H GLU 9 H GLU 9 -7.758 -11.419 7.173 65 HA GLU 9 HA GLU 9 -6.980 -12.272 4.404 66 1HB GLU 9 1HB GLU 9 -8.653 -10.448 4.531 67 2HB GLU 9 2HB GLU 9 -7.551 -9.516 5.547 68 1HG GLU 9 1HG GLU 9 -6.297 -10.467 3.072 69 2HG GLU 9 2HG GLU 9 -7.668 -9.397 2.782 70 H CYS 10 H CYS 10 -4.779 -12.409 4.106 71 HA CYS 10 HA CYS 10 -2.895 -11.894 6.210 72 1HB CYS 10 1HB CYS 10 -2.826 -13.411 4.084 73 2HB CYS 10 2HB CYS 10 -2.254 -11.962 3.278 74 H GLU 11 H GLU 11 -2.563 -9.793 6.914 75 HA GLU 11 HA GLU 11 -2.887 -7.457 5.257 76 1HB GLU 11 1HB GLU 11 -2.180 -8.207 7.968 77 2HB GLU 11 2HB GLU 11 -1.129 -6.913 7.395 78 1HG GLU 11 1HG GLU 11 -3.713 -6.225 6.508 79 2HG GLU 11 2HG GLU 11 -3.925 -6.795 8.163 80 H ALA 12 H ALA 12 -0.413 -9.820 5.439 81 HA ALA 12 HA ALA 12 1.810 -8.057 4.708 82 1HB ALA 12 1HB ALA 12 1.296 -10.921 5.332 83 2HB ALA 12 2HB ALA 12 2.712 -10.569 4.340 84 3HB ALA 12 3HB ALA 12 2.555 -9.846 5.941 85 H CYS 13 H CYS 13 -0.239 -10.493 2.998 86 HA CYS 13 HA CYS 13 0.974 -9.433 0.470 87 1HB CYS 13 1HB CYS 13 1.066 -11.652 -0.373 88 2HB CYS 13 2HB CYS 13 1.621 -11.776 1.292 89 H GLY 14 H GLY 14 -1.992 -10.580 2.031 90 1HA GLY 14 1HA GLY 14 -4.069 -9.349 1.399 91 2HA GLY 14 2HA GLY 14 -3.499 -9.392 -0.268 92 H TYR 15 H TYR 15 -2.988 -12.247 1.592 93 HA TYR 15 HA TYR 15 -4.707 -13.817 -0.158 94 1HB TYR 15 1HB TYR 15 -2.599 -14.695 0.664 95 2HB TYR 15 2HB TYR 15 -3.067 -14.386 2.335 96 HD1 TYR 15 HD1 TYR 15 -4.764 -15.770 3.451 97 HD2 TYR 15 HD2 TYR 15 -3.493 -16.600 -0.567 98 HE1 TYR 15 HE1 TYR 15 -5.807 -18.014 3.587 99 HE2 TYR 15 HE2 TYR 15 -4.534 -18.848 -0.432 100 HH TYR 15 HH TYR 15 -5.901 -20.061 2.586 101 H ILE 16 H ILE 16 -6.376 -15.337 0.869 102 HA ILE 16 HA ILE 16 -7.771 -14.013 3.170 103 HB ILE 16 HB ILE 16 -8.880 -15.081 0.557 104 1HG1 ILE 16 1HG1 ILE 16 -7.803 -12.831 0.511 105 2HG1 ILE 16 2HG1 ILE 16 -9.531 -12.765 0.168 106 1HG2 ILE 16 1HG2 ILE 16 -10.317 -15.572 2.574 107 2HG2 ILE 16 2HG2 ILE 16 -10.402 -13.835 2.862 108 3HG2 ILE 16 3HG2 ILE 16 -11.079 -14.517 1.384 109 1HD1 ILE 16 1HD1 ILE 16 -9.076 -12.571 3.018 110 2HD1 ILE 16 2HD1 ILE 16 -8.130 -11.347 2.171 111 3HD1 ILE 16 3HD1 ILE 16 -9.878 -11.423 1.947 112 H TYR 17 H TYR 17 -7.930 -15.471 4.810 113 HA TYR 17 HA TYR 17 -7.696 -18.369 4.271 114 1HB TYR 17 1HB TYR 17 -6.404 -17.433 6.087 115 2HB TYR 17 2HB TYR 17 -7.825 -16.635 6.757 116 HD1 TYR 17 HD1 TYR 17 -6.671 -20.069 5.770 117 HD2 TYR 17 HD2 TYR 17 -8.946 -17.684 8.534 118 HE1 TYR 17 HE1 TYR 17 -7.178 -22.096 7.105 119 HE2 TYR 17 HE2 TYR 17 -9.458 -19.717 9.861 120 HH TYR 17 HH TYR 17 -8.942 -22.845 8.706 121 H GLU 18 H GLU 18 -9.373 -19.839 4.604 122 HA GLU 18 HA GLU 18 -12.057 -18.694 5.306 123 1HB GLU 18 2HB GLU 18 -12.936 -20.308 3.645 124 2HB GLU 18 1HB GLU 18 -11.294 -20.871 3.332 125 1HG GLU 18 1HG GLU 18 -12.289 -18.035 2.911 126 2HG GLU 18 2HG GLU 18 -10.653 -18.611 2.585 127 HA PRO 19 HA PRO 19 -11.412 -21.888 8.434 128 1HB PRO 19 1HB PRO 19 -13.532 -21.169 10.008 129 2HB PRO 19 2HB PRO 19 -11.964 -20.357 10.045 130 1HG PRO 19 1HG PRO 19 -14.491 -19.502 8.750 131 2HG PRO 19 2HG PRO 19 -13.254 -18.542 9.559 132 1HD PRO 19 1HD PRO 19 -13.500 -18.767 6.830 133 2HD PRO 19 2HD PRO 19 -11.992 -18.349 7.669 134 H GLU 20 H GLU 20 -14.847 -21.125 7.960 135 HA GLU 20 HA GLU 20 -16.002 -23.618 8.234 136 1HB GLU 20 1HB GLU 20 -16.559 -21.101 6.847 137 2HB GLU 20 2HB GLU 20 -17.356 -22.479 6.089 138 1HG GLU 20 1HG GLU 20 -18.162 -23.139 8.411 139 2HG GLU 20 2HG GLU 20 -17.583 -21.568 8.967 140 H LYS 21 H LYS 21 -14.098 -22.487 5.501 141 HA LYS 21 HA LYS 21 -14.768 -24.908 3.916 142 1HB LYS 21 1HB LYS 21 -13.854 -22.179 3.472 143 2HB LYS 21 2HB LYS 21 -12.859 -23.338 2.594 144 1HG LYS 21 1HG LYS 21 -14.818 -24.293 1.525 145 2HG LYS 21 2HG LYS 21 -15.890 -23.300 2.513 146 1HD LYS 21 1HD LYS 21 -14.973 -21.264 1.488 147 2HD LYS 21 2HD LYS 21 -13.854 -22.234 0.532 148 1HE LYS 21 1HE LYS 21 -15.596 -21.949 -1.004 149 2HE LYS 21 2HE LYS 21 -16.114 -23.452 -0.217 150 1HZ LYS 21 1HZ LYS 21 -16.818 -20.808 0.908 151 2HZ LYS 21 2HZ LYS 21 -17.773 -21.508 -0.306 152 3HZ LYS 21 3HZ LYS 21 -17.567 -22.309 1.179 153 H GLY 22 H GLY 22 -11.989 -23.326 5.462 154 1HA GLY 22 1HA GLY 22 -10.164 -24.519 6.480 155 2HA GLY 22 2HA GLY 22 -10.632 -25.954 5.570 156 H ASP 23 H ASP 23 -7.995 -24.584 5.783 157 HA ASP 23 HA ASP 23 -7.501 -23.436 3.122 158 1HB ASP 23 1HB ASP 23 -6.424 -23.145 5.626 159 2HB ASP 23 2HB ASP 23 -5.255 -24.232 4.875 160 H LYS 24 H LYS 24 -8.465 -25.782 2.452 161 HA LYS 24 HA LYS 24 -7.091 -28.183 2.572 162 1HB LYS 24 1HB LYS 24 -8.996 -26.863 0.878 163 2HB LYS 24 2HB LYS 24 -7.880 -27.780 -0.133 164 1HG LYS 24 1HG LYS 24 -8.329 -29.812 1.092 165 2HG LYS 24 2HG LYS 24 -9.256 -28.934 2.308 166 1HD LYS 24 2HD LYS 24 -10.775 -28.206 0.347 167 2HD LYS 24 1HD LYS 24 -10.903 -29.879 0.891 168 1HE LYS 24 1HE LYS 24 -9.359 -28.856 -1.519 169 2HE LYS 24 2HE LYS 24 -9.262 -30.522 -0.916 170 1HZ LYS 24 1HZ LYS 24 -11.764 -30.512 -0.990 171 2HZ LYS 24 2HZ LYS 24 -11.666 -29.067 -1.878 172 3HZ LYS 24 3HZ LYS 24 -11.000 -30.494 -2.508 173 H PHE 25 H PHE 25 -6.097 -25.288 0.836 174 HA PHE 25 HA PHE 25 -4.083 -26.596 -0.809 175 1HB PHE 25 1HB PHE 25 -5.357 -24.234 -0.877 176 2HB PHE 25 2HB PHE 25 -3.906 -23.721 -0.016 177 HD1 PHE 25 HD1 PHE 25 -1.620 -24.423 -1.031 178 HD2 PHE 25 HD2 PHE 25 -5.318 -24.472 -3.217 179 HE1 PHE 25 HE1 PHE 25 -0.358 -24.404 -3.166 180 HE2 PHE 25 HE2 PHE 25 -4.055 -24.453 -5.352 181 HZ PHE 25 HZ PHE 25 -1.575 -24.419 -5.326 182 H ALA 26 H ALA 26 -4.190 -25.256 2.433 183 HA ALA 26 HA ALA 26 -1.233 -25.470 2.716 184 1HB ALA 26 3HB ALA 26 -1.858 -23.505 3.728 185 2HB ALA 26 1HB ALA 26 -3.500 -24.071 4.032 186 3HB ALA 26 2HB ALA 26 -2.186 -24.566 5.098 187 H GLY 27 H GLY 27 -4.201 -27.084 3.594 188 1HA GLY 27 1HA GLY 27 -3.929 -29.500 4.206 189 2HA GLY 27 2HA GLY 27 -2.611 -28.993 5.261 190 H ILE 28 H ILE 28 -5.457 -26.986 5.071 191 HA ILE 28 HA ILE 28 -6.209 -27.915 7.819 192 HB ILE 28 HB ILE 28 -6.325 -25.232 6.417 193 1HG1 ILE 28 1HG1 ILE 28 -5.002 -25.617 9.040 194 2HG1 ILE 28 2HG1 ILE 28 -4.231 -26.413 7.669 195 1HG2 ILE 28 1HG2 ILE 28 -8.318 -25.750 7.948 196 2HG2 ILE 28 2HG2 ILE 28 -7.155 -25.797 9.271 197 3HG2 ILE 28 3HG2 ILE 28 -7.384 -24.311 8.351 198 1HD1 ILE 28 1HD1 ILE 28 -5.081 -23.703 7.009 199 2HD1 ILE 28 2HD1 ILE 28 -3.963 -23.725 8.373 200 3HD1 ILE 28 3HD1 ILE 28 -3.493 -24.449 6.835 201 HA PRO 29 HA PRO 29 -9.909 -29.116 5.514 202 1HB PRO 29 1HB PRO 29 -11.155 -30.333 7.636 203 2HB PRO 29 2HB PRO 29 -9.890 -31.119 6.673 204 1HG PRO 29 1HG PRO 29 -9.690 -29.748 9.319 205 2HG PRO 29 2HG PRO 29 -8.942 -31.259 8.776 206 1HD PRO 29 1HD PRO 29 -7.590 -28.915 8.887 207 2HD PRO 29 2HD PRO 29 -7.238 -30.165 7.674 208 HA PRO 30 HA PRO 30 -12.837 -26.034 6.681 209 1HB PRO 30 1HB PRO 30 -15.255 -27.317 6.719 210 2HB PRO 30 2HB PRO 30 -14.392 -26.926 5.218 211 1HG PRO 30 2HG PRO 30 -14.626 -29.221 4.994 212 2HG PRO 30 1HG PRO 30 -14.495 -29.494 6.739 213 1HD PRO 30 1HD PRO 30 -12.335 -30.068 6.137 214 2HD PRO 30 2HD PRO 30 -12.333 -28.977 4.734 215 H GLY 31 H GLY 31 -15.102 -26.088 8.247 216 1HA GLY 31 1HA GLY 31 -15.680 -25.882 10.524 217 2HA GLY 31 2HA GLY 31 -15.176 -27.569 10.609 218 H THR 32 H THR 32 -13.011 -24.882 9.813 219 HA THR 32 HA THR 32 -11.708 -25.211 12.492 220 HB THR 32 HB THR 32 -10.242 -24.963 9.857 221 HG1 THR 32 HG1 THR 32 -9.946 -27.290 10.218 222 1HG2 THR 32 1HG2 THR 32 -9.487 -25.807 12.662 223 2HG2 THR 32 2HG2 THR 32 -8.440 -26.055 11.264 224 3HG2 THR 32 3HG2 THR 32 -8.880 -24.420 11.758 225 HA PRO 33 HA PRO 33 -12.192 -20.749 11.892 226 1HB PRO 33 1HB PRO 33 -11.737 -20.082 14.507 227 2HB PRO 33 2HB PRO 33 -13.310 -20.643 13.910 228 1HG PRO 33 2HG PRO 33 -12.950 -22.229 15.537 229 2HG PRO 33 1HG PRO 33 -11.190 -22.139 15.376 230 1HD PRO 33 1HD PRO 33 -11.459 -24.066 14.171 231 2HD PRO 33 2HD PRO 33 -13.158 -23.707 13.798 232 H PHE 34 H PHE 34 -10.609 -19.086 11.739 233 HA PHE 34 HA PHE 34 -7.914 -19.779 11.331 234 1HB PHE 34 1HB PHE 34 -8.844 -17.748 10.465 235 2HB PHE 34 2HB PHE 34 -9.324 -17.199 12.063 236 HD1 PHE 34 HD1 PHE 34 -6.509 -17.650 9.733 237 HD2 PHE 34 HD2 PHE 34 -7.688 -16.256 13.620 238 HE1 PHE 34 HE1 PHE 34 -4.327 -16.497 9.980 239 HE2 PHE 34 HE2 PHE 34 -5.506 -15.102 13.868 240 HZ PHE 34 HZ PHE 34 -3.826 -15.223 12.048 241 H VAL 35 H VAL 35 -9.594 -19.101 14.325 242 HA VAL 35 HA VAL 35 -7.255 -18.530 15.939 243 HB VAL 35 HB VAL 35 -8.901 -18.929 17.778 244 1HG1 VAL 35 1HG1 VAL 35 -9.888 -17.331 15.396 245 2HG1 VAL 35 2HG1 VAL 35 -10.535 -17.184 17.031 246 3HG1 VAL 35 3HG1 VAL 35 -8.860 -16.742 16.703 247 1HG2 VAL 35 1HG2 VAL 35 -10.194 -20.416 15.641 248 2HG2 VAL 35 2HG2 VAL 35 -10.518 -20.450 17.374 249 3HG2 VAL 35 3HG2 VAL 35 -11.296 -19.238 16.355 250 H ASP 36 H ASP 36 -8.619 -21.441 14.644 251 HA ASP 36 HA ASP 36 -7.257 -23.154 16.661 252 1HB ASP 36 1HB ASP 36 -9.628 -23.265 15.138 253 2HB ASP 36 2HB ASP 36 -8.579 -24.516 14.470 254 H LEU 37 H LEU 37 -6.377 -21.614 13.828 255 HA LEU 37 HA LEU 37 -5.168 -23.529 12.171 256 1HB LEU 37 1HB LEU 37 -4.511 -20.708 13.007 257 2HB LEU 37 2HB LEU 37 -3.472 -21.560 11.866 258 HG LEU 37 HG LEU 37 -6.454 -21.101 11.539 259 1HD1 LEU 37 1HD1 LEU 37 -5.020 -19.081 11.233 260 2HD1 LEU 37 2HD1 LEU 37 -4.092 -19.959 10.017 261 3HD1 LEU 37 3HD1 LEU 37 -5.794 -19.591 9.733 262 1HD2 LEU 37 1HD2 LEU 37 -4.443 -22.770 10.109 263 2HD2 LEU 37 2HD2 LEU 37 -6.173 -23.030 10.317 264 3HD2 LEU 37 3HD2 LEU 37 -5.594 -21.880 9.112 265 H SER 38 H SER 38 -2.751 -24.007 12.045 266 HA SER 38 HA SER 38 -1.802 -25.358 14.344 267 1HB SER 38 1HB SER 38 -0.539 -24.248 11.837 268 2HB SER 38 2HB SER 38 0.424 -25.123 13.026 269 HG SER 38 HG SER 38 -1.160 -26.111 11.150 270 H ASP 39 H ASP 39 0.408 -24.758 15.396 271 HA ASP 39 HA ASP 39 0.116 -22.269 16.823 272 1HB ASP 39 1HB ASP 39 1.868 -24.630 16.720 273 2HB ASP 39 2HB ASP 39 2.704 -23.160 17.217 274 H SER 40 H SER 40 1.898 -23.226 13.944 275 HA SER 40 HA SER 40 2.866 -20.401 13.683 276 1HB SER 40 1HB SER 40 4.985 -21.388 12.791 277 2HB SER 40 2HB SER 40 4.685 -21.843 14.467 278 HG SER 40 HG SER 40 4.492 -23.372 12.132 279 H PHE 41 H PHE 41 0.516 -21.361 12.444 280 HA PHE 41 HA PHE 41 0.759 -22.530 9.890 281 1HB PHE 41 1HB PHE 41 -1.393 -22.179 10.825 282 2HB PHE 41 2HB PHE 41 -1.078 -20.485 11.143 283 HD1 PHE 41 HD1 PHE 41 -1.764 -22.971 8.470 284 HD2 PHE 41 HD2 PHE 41 -1.428 -18.804 9.462 285 HE1 PHE 41 HE1 PHE 41 -2.768 -22.368 6.285 286 HE2 PHE 41 HE2 PHE 41 -2.433 -18.203 7.277 287 HZ PHE 41 HZ PHE 41 -3.102 -19.986 5.688 288 H MET 42 H MET 42 1.661 -21.808 7.996 289 HA MET 42 HA MET 42 2.569 -18.955 7.877 290 1HB MET 42 2HB MET 42 4.282 -19.777 6.378 291 2HB MET 42 1HB MET 42 3.480 -21.338 6.232 292 1HG MET 42 2HG MET 42 3.985 -20.685 9.019 293 2HG MET 42 1HG MET 42 5.478 -20.635 8.084 294 1HE MET 42 1HE MET 42 5.806 -22.105 6.210 295 2HE MET 42 2HE MET 42 5.988 -23.834 6.491 296 3HE MET 42 3HE MET 42 4.521 -23.222 5.731 297 H CYS 43 H CYS 43 2.116 -17.768 5.947 298 HA CYS 43 HA CYS 43 -0.400 -18.261 4.695 299 1HB CYS 43 1HB CYS 43 0.946 -16.108 4.996 300 2HB CYS 43 2HB CYS 43 1.896 -16.632 3.607 301 HA PRO 44 HA PRO 44 0.999 -21.171 1.622 302 1HB PRO 44 1HB PRO 44 -1.290 -21.249 0.127 303 2HB PRO 44 2HB PRO 44 -1.126 -22.083 1.684 304 1HG PRO 44 2HG PRO 44 -2.939 -20.780 2.195 305 2HG PRO 44 1HG PRO 44 -2.494 -19.527 1.030 306 1HD PRO 44 1HD PRO 44 -1.728 -18.389 2.844 307 2HD PRO 44 2HD PRO 44 -1.672 -19.853 3.848 308 H ALA 45 H ALA 45 0.434 -17.875 1.203 309 HA ALA 45 HA ALA 45 1.149 -18.002 -1.700 310 1HB ALA 45 1HB ALA 45 -1.092 -17.067 -1.055 311 2HB ALA 45 3HB ALA 45 -0.067 -15.905 -1.897 312 3HB ALA 45 2HB ALA 45 -0.252 -15.811 -0.146 313 H CYS 46 H CYS 46 1.696 -16.213 1.344 314 HA CYS 46 HA CYS 46 4.254 -15.229 0.141 315 1HB CYS 46 1HB CYS 46 3.832 -13.129 1.047 316 2HB CYS 46 2HB CYS 46 2.197 -13.675 0.701 317 H ARG 47 H ARG 47 3.153 -17.446 2.297 318 HA ARG 47 HA ARG 47 4.170 -18.634 4.057 319 1HB ARG 47 1HB ARG 47 6.068 -17.868 2.177 320 2HB ARG 47 2HB ARG 47 6.794 -17.399 3.715 321 1HG ARG 47 1HG ARG 47 6.381 -19.670 4.600 322 2HG ARG 47 2HG ARG 47 5.666 -20.139 3.058 323 1HD ARG 47 1HD ARG 47 8.013 -19.205 2.133 324 2HD ARG 47 2HD ARG 47 8.536 -19.693 3.757 325 HE ARG 47 HE ARG 47 7.246 -21.510 1.758 326 1HH1 ARG 47 1HH1 ARG 47 7.264 -21.661 4.979 327 2HH1 ARG 47 2HH1 ARG 47 8.364 -22.987 5.152 328 1HH2 ARG 47 1HH2 ARG 47 9.399 -22.905 1.844 329 2HH2 ARG 47 2HH2 ARG 47 9.573 -23.692 3.377 330 H SER 48 H SER 48 3.239 -15.694 4.563 331 HA SER 48 HA SER 48 5.066 -14.691 6.602 332 1HB SER 48 1HB SER 48 2.306 -14.076 5.588 333 2HB SER 48 2HB SER 48 2.838 -13.355 7.105 334 HG SER 48 HG SER 48 4.749 -12.680 5.904 335 HA PRO 49 HA PRO 49 3.607 -16.987 10.053 336 1HB PRO 49 1HB PRO 49 3.571 -15.126 12.059 337 2HB PRO 49 2HB PRO 49 5.069 -15.798 11.390 338 1HG PRO 49 1HG PRO 49 3.751 -13.182 10.851 339 2HG PRO 49 2HG PRO 49 5.471 -13.569 10.995 340 1HD PRO 49 1HD PRO 49 4.176 -13.204 8.608 341 2HD PRO 49 2HD PRO 49 5.637 -14.194 8.800 342 H LYS 50 H LYS 50 1.601 -17.597 10.881 343 HA LYS 50 HA LYS 50 -0.827 -16.562 9.980 344 1HB LYS 50 1HB LYS 50 -0.421 -18.735 11.122 345 2HB LYS 50 2HB LYS 50 -0.211 -17.874 12.646 346 1HG LYS 50 1HG LYS 50 -2.568 -16.872 12.108 347 2HG LYS 50 2HG LYS 50 -2.712 -18.251 11.019 348 1HD LYS 50 1HD LYS 50 -2.719 -19.788 12.743 349 2HD LYS 50 2HD LYS 50 -1.739 -18.768 13.796 350 1HE LYS 50 1HE LYS 50 -4.553 -17.959 13.049 351 2HE LYS 50 2HE LYS 50 -4.239 -19.036 14.421 352 1HZ LYS 50 1HZ LYS 50 -2.513 -17.359 15.119 353 2HZ LYS 50 2HZ LYS 50 -3.178 -16.300 13.970 354 3HZ LYS 50 3HZ LYS 50 -4.125 -16.842 15.269 355 H ASN 51 H ASN 51 1.121 -15.423 12.690 356 HA ASN 51 HA ASN 51 -0.887 -13.841 13.981 357 1HB ASN 51 1HB ASN 51 1.422 -14.508 14.804 358 2HB ASN 51 2HB ASN 51 2.083 -13.273 13.733 359 2HD2 ASN 51 2HD2 ASN 51 2.849 -12.154 15.755 360 1HD2 ASN 51 1HD2 ASN 51 1.752 -11.222 16.655 361 H GLN 52 H GLN 52 0.655 -13.475 10.929 362 HA GLN 52 HA GLN 52 0.318 -10.551 10.815 363 1HB GLN 52 1HB GLN 52 1.848 -12.566 9.544 364 2HB GLN 52 2HB GLN 52 0.814 -11.875 8.293 365 1HG GLN 52 1HG GLN 52 2.595 -10.293 10.174 366 2HG GLN 52 2HG GLN 52 2.942 -10.629 8.478 367 2HE2 GLN 52 2HE2 GLN 52 0.588 -10.136 7.173 368 1HE2 GLN 52 1HE2 GLN 52 0.053 -8.549 7.441 369 H PHE 53 H PHE 53 -1.786 -13.164 10.578 370 HA PHE 53 HA PHE 53 -3.359 -12.133 8.299 371 1HB PHE 53 1HB PHE 53 -3.571 -14.423 10.262 372 2HB PHE 53 2HB PHE 53 -4.859 -14.067 9.115 373 HD1 PHE 53 HD1 PHE 53 -1.158 -14.630 9.261 374 HD2 PHE 53 HD2 PHE 53 -4.762 -14.935 6.945 375 HE1 PHE 53 HE1 PHE 53 0.089 -15.821 7.479 376 HE2 PHE 53 HE2 PHE 53 -3.515 -16.126 5.162 377 HZ PHE 53 HZ PHE 53 -1.091 -16.569 5.430 378 H LYS 54 H LYS 54 -4.980 -10.657 8.548 379 HA LYS 54 HA LYS 54 -5.982 -10.103 11.318 380 1HB LYS 54 1HB LYS 54 -4.849 -8.480 9.370 381 2HB LYS 54 2HB LYS 54 -6.576 -8.177 9.183 382 1HG LYS 54 1HG LYS 54 -5.709 -8.280 11.987 383 2HG LYS 54 2HG LYS 54 -4.950 -6.980 11.068 384 1HD LYS 54 1HD LYS 54 -7.786 -7.213 10.448 385 2HD LYS 54 2HD LYS 54 -7.520 -6.946 12.171 386 1HE LYS 54 1HE LYS 54 -6.714 -4.821 11.838 387 2HE LYS 54 2HE LYS 54 -5.874 -5.274 10.342 388 1HZ LYS 54 1HZ LYS 54 -8.827 -5.049 10.643 389 2HZ LYS 54 2HZ LYS 54 -7.843 -3.870 9.923 390 3HZ LYS 54 3HZ LYS 54 -7.988 -5.405 9.210 391 H SER 55 H SER 55 -8.105 -10.647 11.702 392 HA SER 55 HA SER 55 -9.749 -12.052 9.906 393 1HB SER 55 2HB SER 55 -10.021 -11.906 12.353 394 2HB SER 55 1HB SER 55 -11.525 -11.534 11.526 395 HG SER 55 HG SER 55 -11.412 -9.819 12.751 396 H ILE 56 H ILE 56 -12.136 -11.017 9.563 397 HA ILE 56 HA ILE 56 -11.802 -8.368 8.199 398 HB ILE 56 HB ILE 56 -13.150 -9.322 6.334 399 1HG1 ILE 56 2HG1 ILE 56 -13.537 -11.423 8.279 400 2HG1 ILE 56 1HG1 ILE 56 -12.851 -12.090 6.797 401 1HG2 ILE 56 1HG2 ILE 56 -10.477 -9.712 6.866 402 2HG2 ILE 56 2HG2 ILE 56 -11.031 -11.353 6.536 403 3HG2 ILE 56 3HG2 ILE 56 -11.263 -10.086 5.332 404 1HD1 ILE 56 1HD1 ILE 56 -14.975 -10.104 6.339 405 2HD1 ILE 56 2HD1 ILE 56 -14.740 -11.690 5.605 406 3HD1 ILE 56 3HD1 ILE 56 -15.522 -11.555 7.180 407 H LYS 57 H LYS 57 -12.875 -7.662 10.268 408 HA LYS 57 HA LYS 57 -15.814 -8.258 10.298 409 1HB LYS 57 1HB LYS 57 -14.300 -8.882 12.260 410 2HB LYS 57 2HB LYS 57 -14.075 -7.152 12.520 411 1HG LYS 57 1HG LYS 57 -16.845 -7.474 12.236 412 2HG LYS 57 2HG LYS 57 -16.334 -8.836 13.234 413 1HD LYS 57 1HD LYS 57 -16.401 -7.355 14.955 414 2HD LYS 57 2HD LYS 57 -14.880 -6.750 14.301 415 1HE LYS 57 1HE LYS 57 -15.888 -4.898 13.315 416 2HE LYS 57 2HE LYS 57 -17.448 -5.720 13.132 417 1HZ LYS 57 1HZ LYS 57 -16.298 -5.229 15.810 418 2HZ LYS 57 2HZ LYS 57 -17.185 -4.011 15.024 419 3HZ LYS 57 3HZ LYS 57 -17.918 -5.501 15.384 420 H LYS 58 H LYS 58 -15.712 -6.497 8.489 421 HA LYS 58 HA LYS 58 -15.541 -3.749 9.663 422 1HB LYS 58 1HB LYS 58 -15.518 -4.820 6.823 423 2HB LYS 58 2HB LYS 58 -15.452 -3.107 7.230 424 1HG LYS 58 1HG LYS 58 -13.468 -4.113 8.829 425 2HG LYS 58 2HG LYS 58 -13.348 -5.170 7.423 426 1HD LYS 58 1HD LYS 58 -13.721 -2.397 6.626 427 2HD LYS 58 2HD LYS 58 -12.300 -2.580 7.653 428 1HE LYS 58 1HE LYS 58 -12.284 -4.778 5.845 429 2HE LYS 58 2HE LYS 58 -12.596 -3.317 4.888 430 1HZ LYS 58 1HZ LYS 58 -10.761 -2.229 6.050 431 2HZ LYS 58 2HZ LYS 58 -10.450 -3.647 6.926 432 3HZ LYS 58 3HZ LYS 58 -10.218 -3.621 5.243 433 H VAL 59 H VAL 59 -17.469 -2.815 10.171 434 HA VAL 59 HA VAL 59 -19.881 -3.522 8.534 435 HB VAL 59 HB VAL 59 -19.616 -3.201 11.543 436 1HG1 VAL 59 1HG1 VAL 59 -21.771 -2.362 10.410 437 2HG1 VAL 59 2HG1 VAL 59 -22.076 -4.053 10.011 438 3HG1 VAL 59 3HG1 VAL 59 -21.958 -3.552 11.699 439 1HG2 VAL 59 1HG2 VAL 59 -18.759 -5.347 10.636 440 2HG2 VAL 59 2HG2 VAL 59 -20.218 -5.582 11.599 441 3HG2 VAL 59 3HG2 VAL 59 -20.309 -5.613 9.838 442 H ILE 60 H ILE 60 -19.871 -1.535 7.381 443 HA ILE 60 HA ILE 60 -20.283 0.914 9.066 444 HB ILE 60 HB ILE 60 -18.749 0.569 6.470 445 1HG1 ILE 60 2HG1 ILE 60 -17.988 0.868 9.358 446 2HG1 ILE 60 1HG1 ILE 60 -16.925 1.526 8.114 447 1HG2 ILE 60 1HG2 ILE 60 -19.291 3.029 8.160 448 2HG2 ILE 60 2HG2 ILE 60 -18.156 2.968 6.811 449 3HG2 ILE 60 3HG2 ILE 60 -19.881 2.735 6.525 450 1HD1 ILE 60 1HD1 ILE 60 -17.698 -1.061 7.240 451 2HD1 ILE 60 2HD1 ILE 60 -16.101 -0.541 7.776 452 3HD1 ILE 60 3HD1 ILE 60 -17.244 -1.214 8.937 453 H ALA 61 H ALA 61 -22.556 0.947 8.815 454 HA ALA 61 HA ALA 61 -24.620 1.267 7.704 455 1HB ALA 61 1HB ALA 61 -22.751 3.130 6.964 456 2HB ALA 61 3HB ALA 61 -24.448 3.191 6.487 457 3HB ALA 61 2HB ALA 61 -23.247 2.501 5.393 458 H GLY 62 H GLY 62 -24.865 1.463 4.757 459 1HA GLY 62 1HA GLY 62 -24.645 0.038 2.813 460 2HA GLY 62 2HA GLY 62 -24.055 -1.252 3.863 461 H PHE 63 H PHE 63 -25.927 -1.522 5.775 462 HA PHE 63 HA PHE 63 -28.028 -2.539 6.160 463 1HB PHE 63 1HB PHE 63 -28.311 -0.024 4.716 464 2HB PHE 63 2HB PHE 63 -29.661 -1.110 4.386 465 HD1 PHE 63 HD1 PHE 63 -30.934 -2.121 6.328 466 HD2 PHE 63 HD2 PHE 63 -28.081 1.052 6.825 467 HE1 PHE 63 HE1 PHE 63 -31.893 -1.608 8.557 468 HE2 PHE 63 HE2 PHE 63 -29.040 1.564 9.054 469 HZ PHE 63 HZ PHE 63 -30.947 0.235 9.920 470 H ALA 64 H ALA 64 -27.532 -4.603 5.177 471 HA ALA 64 HA ALA 64 -28.205 -4.934 2.296 472 1HB ALA 64 3HB ALA 64 -26.258 -6.090 2.686 473 2HB ALA 64 1HB ALA 64 -26.626 -6.327 4.395 474 3HB ALA 64 2HB ALA 64 -27.376 -7.361 3.179 475 H GLU 65 H GLU 65 -29.116 -7.541 2.277 476 HA GLU 65 HA GLU 65 -31.709 -7.334 3.771 477 1HB GLU 65 1HB GLU 65 -30.926 -8.546 1.104 478 2HB GLU 65 2HB GLU 65 -32.518 -8.757 1.834 479 1HG GLU 65 1HG GLU 65 -31.586 -5.961 1.754 480 2HG GLU 65 2HG GLU 65 -31.837 -6.686 0.166 481 H ASN 66 H ASN 66 -31.913 -8.841 5.370 482 HA ASN 66 HA ASN 66 -30.713 -11.548 4.953 483 1HB ASN 66 1HB ASN 66 -29.201 -10.077 6.285 484 2HB ASN 66 2HB ASN 66 -30.503 -9.830 7.449 485 2HD2 ASN 66 2HD2 ASN 66 -27.977 -11.089 8.138 486 1HD2 ASN 66 1HD2 ASN 66 -28.306 -12.699 8.561 487 H GLN 67 H GLN 67 -33.009 -12.127 4.546 488 HA GLN 67 HA GLN 67 -35.115 -12.943 5.246 489 1HB GLN 67 1HB GLN 67 -33.246 -14.064 6.727 490 2HB GLN 67 2HB GLN 67 -33.937 -13.071 8.010 491 1HG GLN 67 1HG GLN 67 -36.200 -14.020 7.398 492 2HG GLN 67 2HG GLN 67 -35.367 -15.143 6.323 493 2HE2 GLN 67 2HE2 GLN 67 -36.773 -16.338 8.356 494 1HE2 GLN 67 1HE2 GLN 67 -35.730 -16.901 9.572 495 H LYS 68 H LYS 68 -35.390 -10.323 5.001 496 HA LYS 68 HA LYS 68 -36.456 -9.291 7.607 497 1HB LYS 68 1HB LYS 68 -34.533 -8.176 6.241 498 2HB LYS 68 2HB LYS 68 -35.821 -7.659 5.152 499 1HG LYS 68 1HG LYS 68 -36.588 -6.111 6.622 500 2HG LYS 68 2HG LYS 68 -36.440 -7.213 7.990 501 1HD LYS 68 2HD LYS 68 -33.812 -6.759 7.417 502 2HD LYS 68 1HD LYS 68 -34.732 -5.829 8.600 503 1HE LYS 68 1HE LYS 68 -34.307 -5.097 5.678 504 2HE LYS 68 2HE LYS 68 -35.318 -4.185 6.816 505 1HZ LYS 68 1HZ LYS 68 -33.386 -3.999 8.288 506 2HZ LYS 68 2HZ LYS 68 -32.428 -4.821 7.155 507 3HZ LYS 68 3HZ LYS 68 -33.067 -3.293 6.776 508 H TYR 69 H TYR 69 -37.094 -9.265 4.076 509 HA TYR 69 HA TYR 69 -39.857 -8.371 4.462 510 1HB TYR 69 1HB TYR 69 -37.961 -8.992 2.258 511 2HB TYR 69 2HB TYR 69 -39.675 -9.163 1.876 512 HD1 TYR 69 HD1 TYR 69 -37.115 -6.807 3.197 513 HD2 TYR 69 HD2 TYR 69 -41.080 -7.256 1.608 514 HE1 TYR 69 HE1 TYR 69 -37.316 -4.343 3.002 515 HE2 TYR 69 HE2 TYR 69 -41.282 -4.791 1.413 516 HH TYR 69 HH TYR 69 -38.825 -2.638 2.723 517 H GLY 70 H GLY 70 -38.221 -11.417 3.585 518 1HA GLY 70 1HA GLY 70 -40.843 -12.812 3.959 519 2HA GLY 70 2HA GLY 70 -39.585 -13.386 2.864 No H/Q in entry = 519 Start of MODEL 16 1 H1 MET 1 1H MET 1 -16.981 -1.568 4.487 2 H2 MET 1 2H MET 1 -17.022 -1.272 2.815 3 H3 MET 1 3H MET 1 -18.334 -0.815 3.793 4 HA MET 1 HA MET 1 -18.931 -2.813 2.615 5 1HB MET 1 1HB MET 1 -16.129 -3.264 3.167 6 2HB MET 1 2HB MET 1 -17.075 -4.657 3.694 7 1HG MET 1 1HG MET 1 -18.247 -4.521 1.413 8 2HG MET 1 2HG MET 1 -16.956 -3.418 0.938 9 1HE MET 1 1HE MET 1 -16.144 -4.473 -0.819 10 2HE MET 1 2HE MET 1 -15.240 -5.989 -0.924 11 3HE MET 1 3HE MET 1 -17.001 -6.009 -0.935 12 H GLU 2 H GLU 2 -20.230 -4.416 3.688 13 HA GLU 2 HA GLU 2 -20.275 -4.144 6.676 14 1HB GLU 2 1HB GLU 2 -22.167 -3.312 5.064 15 2HB GLU 2 2HB GLU 2 -22.577 -5.022 4.945 16 1HG GLU 2 1HG GLU 2 -22.117 -4.058 7.700 17 2HG GLU 2 2HG GLU 2 -23.519 -3.352 6.896 18 H ILE 3 H ILE 3 -18.637 -5.989 6.621 19 HA ILE 3 HA ILE 3 -20.089 -8.605 6.438 20 HB ILE 3 HB ILE 3 -17.236 -8.077 5.553 21 1HG1 ILE 3 1HG1 ILE 3 -19.713 -8.436 3.837 22 2HG1 ILE 3 2HG1 ILE 3 -18.915 -6.891 4.125 23 1HG2 ILE 3 1HG2 ILE 3 -19.110 -10.441 5.443 24 2HG2 ILE 3 2HG2 ILE 3 -17.723 -10.314 4.363 25 3HG2 ILE 3 3HG2 ILE 3 -17.478 -10.368 6.108 26 1HD1 ILE 3 1HD1 ILE 3 -16.779 -8.000 3.250 27 2HD1 ILE 3 2HD1 ILE 3 -17.814 -9.314 2.689 28 3HD1 ILE 3 3HD1 ILE 3 -18.036 -7.683 2.054 29 H ASP 4 H ASP 4 -18.896 -10.322 7.724 30 HA ASP 4 HA ASP 4 -16.811 -9.778 9.564 31 1HB ASP 4 1HB ASP 4 -18.216 -9.526 11.621 32 2HB ASP 4 2HB ASP 4 -18.329 -8.142 10.537 33 H GLU 5 H GLU 5 -16.164 -11.834 9.658 34 HA GLU 5 HA GLU 5 -17.886 -13.903 10.841 35 1HB GLU 5 1HB GLU 5 -18.029 -13.551 8.140 36 2HB GLU 5 2HB GLU 5 -16.703 -14.708 8.241 37 1HG GLU 5 1HG GLU 5 -18.228 -16.052 9.823 38 2HG GLU 5 2HG GLU 5 -19.535 -15.018 9.246 39 H GLY 6 H GLY 6 -16.134 -16.031 9.705 40 1HA GLY 6 1HA GLY 6 -13.776 -15.505 11.435 41 2HA GLY 6 2HA GLY 6 -14.301 -17.094 10.889 42 H LYS 7 H LYS 7 -14.279 -14.577 8.512 43 HA LYS 7 HA LYS 7 -12.181 -15.980 7.005 44 1HB LYS 7 1HB LYS 7 -14.185 -13.807 6.610 45 2HB LYS 7 2HB LYS 7 -12.770 -13.779 5.558 46 1HG LYS 7 1HG LYS 7 -13.223 -16.215 5.042 47 2HG LYS 7 2HG LYS 7 -14.747 -16.047 5.913 48 1HD LYS 7 1HD LYS 7 -15.096 -13.975 4.332 49 2HD LYS 7 2HD LYS 7 -13.896 -14.783 3.323 50 1HE LYS 7 1HE LYS 7 -15.287 -16.635 2.933 51 2HE LYS 7 2HE LYS 7 -16.254 -16.336 4.389 52 1HZ LYS 7 1HZ LYS 7 -16.110 -14.501 2.052 53 2HZ LYS 7 2HZ LYS 7 -17.371 -15.607 2.317 54 3HZ LYS 7 3HZ LYS 7 -17.112 -14.332 3.410 55 H TYR 8 H TYR 8 -10.046 -15.283 6.818 56 HA TYR 8 HA TYR 8 -9.359 -12.695 8.173 57 1HB TYR 8 1HB TYR 8 -8.138 -15.441 8.214 58 2HB TYR 8 2HB TYR 8 -7.126 -14.036 8.534 59 HD1 TYR 8 HD1 TYR 8 -10.497 -15.368 9.490 60 HD2 TYR 8 HD2 TYR 8 -6.923 -13.358 10.756 61 HE1 TYR 8 HE1 TYR 8 -11.376 -15.287 11.804 62 HE2 TYR 8 HE2 TYR 8 -7.798 -13.276 13.078 63 HH TYR 8 HH TYR 8 -10.723 -13.484 13.950 64 H GLU 9 H GLU 9 -7.758 -11.419 7.173 65 HA GLU 9 HA GLU 9 -6.980 -12.272 4.404 66 1HB GLU 9 1HB GLU 9 -8.653 -10.448 4.531 67 2HB GLU 9 2HB GLU 9 -7.551 -9.516 5.547 68 1HG GLU 9 1HG GLU 9 -6.297 -10.467 3.072 69 2HG GLU 9 2HG GLU 9 -7.668 -9.397 2.782 70 H CYS 10 H CYS 10 -4.779 -12.409 4.106 71 HA CYS 10 HA CYS 10 -2.895 -11.894 6.210 72 1HB CYS 10 1HB CYS 10 -2.826 -13.411 4.084 73 2HB CYS 10 2HB CYS 10 -2.254 -11.962 3.278 74 H GLU 11 H GLU 11 -2.563 -9.793 6.914 75 HA GLU 11 HA GLU 11 -2.887 -7.457 5.257 76 1HB GLU 11 1HB GLU 11 -2.180 -8.207 7.968 77 2HB GLU 11 2HB GLU 11 -1.129 -6.913 7.395 78 1HG GLU 11 1HG GLU 11 -3.713 -6.225 6.508 79 2HG GLU 11 2HG GLU 11 -3.925 -6.795 8.163 80 H ALA 12 H ALA 12 -0.413 -9.820 5.439 81 HA ALA 12 HA ALA 12 1.810 -8.057 4.708 82 1HB ALA 12 1HB ALA 12 1.296 -10.921 5.332 83 2HB ALA 12 2HB ALA 12 2.712 -10.569 4.340 84 3HB ALA 12 3HB ALA 12 2.555 -9.846 5.941 85 H CYS 13 H CYS 13 -0.239 -10.493 2.998 86 HA CYS 13 HA CYS 13 0.974 -9.433 0.470 87 1HB CYS 13 1HB CYS 13 1.066 -11.652 -0.373 88 2HB CYS 13 2HB CYS 13 1.621 -11.776 1.292 89 H GLY 14 H GLY 14 -1.992 -10.580 2.031 90 1HA GLY 14 1HA GLY 14 -4.069 -9.349 1.399 91 2HA GLY 14 2HA GLY 14 -3.499 -9.392 -0.268 92 H TYR 15 H TYR 15 -2.988 -12.247 1.592 93 HA TYR 15 HA TYR 15 -4.707 -13.817 -0.158 94 1HB TYR 15 1HB TYR 15 -2.599 -14.695 0.664 95 2HB TYR 15 2HB TYR 15 -3.067 -14.386 2.335 96 HD1 TYR 15 HD1 TYR 15 -4.764 -15.770 3.451 97 HD2 TYR 15 HD2 TYR 15 -3.493 -16.600 -0.567 98 HE1 TYR 15 HE1 TYR 15 -5.807 -18.014 3.587 99 HE2 TYR 15 HE2 TYR 15 -4.534 -18.848 -0.432 100 HH TYR 15 HH TYR 15 -5.901 -20.061 2.586 101 H ILE 16 H ILE 16 -6.376 -15.337 0.869 102 HA ILE 16 HA ILE 16 -7.771 -14.013 3.170 103 HB ILE 16 HB ILE 16 -8.880 -15.081 0.557 104 1HG1 ILE 16 1HG1 ILE 16 -7.803 -12.831 0.511 105 2HG1 ILE 16 2HG1 ILE 16 -9.531 -12.765 0.168 106 1HG2 ILE 16 1HG2 ILE 16 -10.317 -15.572 2.574 107 2HG2 ILE 16 2HG2 ILE 16 -10.402 -13.835 2.862 108 3HG2 ILE 16 3HG2 ILE 16 -11.079 -14.517 1.384 109 1HD1 ILE 16 1HD1 ILE 16 -9.076 -12.571 3.018 110 2HD1 ILE 16 2HD1 ILE 16 -8.130 -11.347 2.171 111 3HD1 ILE 16 3HD1 ILE 16 -9.878 -11.423 1.947 112 H TYR 17 H TYR 17 -7.930 -15.471 4.810 113 HA TYR 17 HA TYR 17 -7.696 -18.369 4.271 114 1HB TYR 17 1HB TYR 17 -6.404 -17.433 6.087 115 2HB TYR 17 2HB TYR 17 -7.825 -16.635 6.757 116 HD1 TYR 17 HD1 TYR 17 -6.671 -20.069 5.770 117 HD2 TYR 17 HD2 TYR 17 -8.946 -17.684 8.534 118 HE1 TYR 17 HE1 TYR 17 -7.178 -22.096 7.105 119 HE2 TYR 17 HE2 TYR 17 -9.458 -19.717 9.861 120 HH TYR 17 HH TYR 17 -8.942 -22.845 8.706 121 H GLU 18 H GLU 18 -9.373 -19.839 4.604 122 HA GLU 18 HA GLU 18 -12.057 -18.694 5.306 123 1HB GLU 18 2HB GLU 18 -12.936 -20.308 3.645 124 2HB GLU 18 1HB GLU 18 -11.294 -20.871 3.332 125 1HG GLU 18 1HG GLU 18 -12.289 -18.035 2.911 126 2HG GLU 18 2HG GLU 18 -10.653 -18.611 2.585 127 HA PRO 19 HA PRO 19 -11.412 -21.888 8.434 128 1HB PRO 19 1HB PRO 19 -13.532 -21.169 10.008 129 2HB PRO 19 2HB PRO 19 -11.964 -20.357 10.045 130 1HG PRO 19 1HG PRO 19 -14.491 -19.502 8.750 131 2HG PRO 19 2HG PRO 19 -13.254 -18.542 9.559 132 1HD PRO 19 1HD PRO 19 -13.500 -18.767 6.830 133 2HD PRO 19 2HD PRO 19 -11.992 -18.349 7.669 134 H GLU 20 H GLU 20 -14.847 -21.125 7.960 135 HA GLU 20 HA GLU 20 -16.002 -23.618 8.234 136 1HB GLU 20 1HB GLU 20 -16.559 -21.101 6.847 137 2HB GLU 20 2HB GLU 20 -17.356 -22.479 6.089 138 1HG GLU 20 1HG GLU 20 -18.162 -23.139 8.411 139 2HG GLU 20 2HG GLU 20 -17.583 -21.568 8.967 140 H LYS 21 H LYS 21 -14.098 -22.487 5.501 141 HA LYS 21 HA LYS 21 -14.768 -24.908 3.916 142 1HB LYS 21 1HB LYS 21 -13.854 -22.179 3.472 143 2HB LYS 21 2HB LYS 21 -12.859 -23.338 2.594 144 1HG LYS 21 1HG LYS 21 -14.818 -24.293 1.525 145 2HG LYS 21 2HG LYS 21 -15.890 -23.300 2.513 146 1HD LYS 21 1HD LYS 21 -14.973 -21.264 1.488 147 2HD LYS 21 2HD LYS 21 -13.854 -22.234 0.532 148 1HE LYS 21 1HE LYS 21 -15.596 -21.949 -1.004 149 2HE LYS 21 2HE LYS 21 -16.114 -23.452 -0.217 150 1HZ LYS 21 1HZ LYS 21 -16.818 -20.808 0.908 151 2HZ LYS 21 2HZ LYS 21 -17.773 -21.508 -0.306 152 3HZ LYS 21 3HZ LYS 21 -17.567 -22.309 1.179 153 H GLY 22 H GLY 22 -11.989 -23.326 5.462 154 1HA GLY 22 1HA GLY 22 -10.164 -24.519 6.480 155 2HA GLY 22 2HA GLY 22 -10.632 -25.954 5.570 156 H ASP 23 H ASP 23 -7.995 -24.584 5.783 157 HA ASP 23 HA ASP 23 -7.501 -23.436 3.122 158 1HB ASP 23 1HB ASP 23 -6.424 -23.145 5.626 159 2HB ASP 23 2HB ASP 23 -5.255 -24.232 4.875 160 H LYS 24 H LYS 24 -8.465 -25.782 2.452 161 HA LYS 24 HA LYS 24 -7.091 -28.183 2.572 162 1HB LYS 24 1HB LYS 24 -8.996 -26.863 0.878 163 2HB LYS 24 2HB LYS 24 -7.880 -27.780 -0.133 164 1HG LYS 24 1HG LYS 24 -8.329 -29.812 1.092 165 2HG LYS 24 2HG LYS 24 -9.256 -28.934 2.308 166 1HD LYS 24 2HD LYS 24 -10.775 -28.206 0.347 167 2HD LYS 24 1HD LYS 24 -10.903 -29.879 0.891 168 1HE LYS 24 1HE LYS 24 -9.359 -28.856 -1.519 169 2HE LYS 24 2HE LYS 24 -9.262 -30.522 -0.916 170 1HZ LYS 24 1HZ LYS 24 -11.764 -30.512 -0.990 171 2HZ LYS 24 2HZ LYS 24 -11.666 -29.067 -1.878 172 3HZ LYS 24 3HZ LYS 24 -11.000 -30.494 -2.508 173 H PHE 25 H PHE 25 -6.097 -25.288 0.836 174 HA PHE 25 HA PHE 25 -4.083 -26.596 -0.809 175 1HB PHE 25 1HB PHE 25 -5.357 -24.234 -0.877 176 2HB PHE 25 2HB PHE 25 -3.906 -23.721 -0.016 177 HD1 PHE 25 HD1 PHE 25 -1.620 -24.423 -1.031 178 HD2 PHE 25 HD2 PHE 25 -5.318 -24.472 -3.217 179 HE1 PHE 25 HE1 PHE 25 -0.358 -24.404 -3.166 180 HE2 PHE 25 HE2 PHE 25 -4.055 -24.453 -5.352 181 HZ PHE 25 HZ PHE 25 -1.575 -24.419 -5.326 182 H ALA 26 H ALA 26 -4.190 -25.256 2.433 183 HA ALA 26 HA ALA 26 -1.233 -25.470 2.716 184 1HB ALA 26 3HB ALA 26 -1.858 -23.505 3.728 185 2HB ALA 26 1HB ALA 26 -3.500 -24.071 4.032 186 3HB ALA 26 2HB ALA 26 -2.186 -24.566 5.098 187 H GLY 27 H GLY 27 -4.201 -27.084 3.594 188 1HA GLY 27 1HA GLY 27 -3.929 -29.500 4.206 189 2HA GLY 27 2HA GLY 27 -2.611 -28.993 5.261 190 H ILE 28 H ILE 28 -5.457 -26.986 5.071 191 HA ILE 28 HA ILE 28 -6.209 -27.915 7.819 192 HB ILE 28 HB ILE 28 -6.325 -25.232 6.417 193 1HG1 ILE 28 1HG1 ILE 28 -5.002 -25.617 9.040 194 2HG1 ILE 28 2HG1 ILE 28 -4.231 -26.413 7.669 195 1HG2 ILE 28 1HG2 ILE 28 -8.318 -25.750 7.948 196 2HG2 ILE 28 2HG2 ILE 28 -7.155 -25.797 9.271 197 3HG2 ILE 28 3HG2 ILE 28 -7.384 -24.311 8.351 198 1HD1 ILE 28 1HD1 ILE 28 -5.081 -23.703 7.009 199 2HD1 ILE 28 2HD1 ILE 28 -3.963 -23.725 8.373 200 3HD1 ILE 28 3HD1 ILE 28 -3.493 -24.449 6.835 201 HA PRO 29 HA PRO 29 -9.909 -29.116 5.514 202 1HB PRO 29 1HB PRO 29 -11.155 -30.333 7.636 203 2HB PRO 29 2HB PRO 29 -9.890 -31.119 6.673 204 1HG PRO 29 1HG PRO 29 -9.690 -29.748 9.319 205 2HG PRO 29 2HG PRO 29 -8.942 -31.259 8.776 206 1HD PRO 29 1HD PRO 29 -7.590 -28.915 8.887 207 2HD PRO 29 2HD PRO 29 -7.238 -30.165 7.674 208 HA PRO 30 HA PRO 30 -12.837 -26.034 6.681 209 1HB PRO 30 1HB PRO 30 -15.255 -27.317 6.719 210 2HB PRO 30 2HB PRO 30 -14.392 -26.926 5.218 211 1HG PRO 30 2HG PRO 30 -14.626 -29.221 4.994 212 2HG PRO 30 1HG PRO 30 -14.495 -29.494 6.739 213 1HD PRO 30 1HD PRO 30 -12.335 -30.068 6.137 214 2HD PRO 30 2HD PRO 30 -12.333 -28.977 4.734 215 H GLY 31 H GLY 31 -15.102 -26.088 8.247 216 1HA GLY 31 1HA GLY 31 -15.680 -25.882 10.524 217 2HA GLY 31 2HA GLY 31 -15.176 -27.569 10.609 218 H THR 32 H THR 32 -13.011 -24.882 9.813 219 HA THR 32 HA THR 32 -11.708 -25.211 12.492 220 HB THR 32 HB THR 32 -10.242 -24.963 9.857 221 HG1 THR 32 HG1 THR 32 -9.946 -27.290 10.218 222 1HG2 THR 32 1HG2 THR 32 -9.487 -25.807 12.662 223 2HG2 THR 32 2HG2 THR 32 -8.440 -26.055 11.264 224 3HG2 THR 32 3HG2 THR 32 -8.880 -24.420 11.758 225 HA PRO 33 HA PRO 33 -12.192 -20.749 11.892 226 1HB PRO 33 1HB PRO 33 -11.737 -20.082 14.507 227 2HB PRO 33 2HB PRO 33 -13.310 -20.643 13.910 228 1HG PRO 33 2HG PRO 33 -12.950 -22.229 15.537 229 2HG PRO 33 1HG PRO 33 -11.190 -22.139 15.376 230 1HD PRO 33 1HD PRO 33 -11.459 -24.066 14.171 231 2HD PRO 33 2HD PRO 33 -13.158 -23.707 13.798 232 H PHE 34 H PHE 34 -10.609 -19.086 11.739 233 HA PHE 34 HA PHE 34 -7.914 -19.779 11.331 234 1HB PHE 34 1HB PHE 34 -8.844 -17.748 10.465 235 2HB PHE 34 2HB PHE 34 -9.324 -17.199 12.063 236 HD1 PHE 34 HD1 PHE 34 -6.509 -17.650 9.733 237 HD2 PHE 34 HD2 PHE 34 -7.688 -16.256 13.620 238 HE1 PHE 34 HE1 PHE 34 -4.327 -16.497 9.980 239 HE2 PHE 34 HE2 PHE 34 -5.506 -15.102 13.868 240 HZ PHE 34 HZ PHE 34 -3.826 -15.223 12.048 241 H VAL 35 H VAL 35 -9.594 -19.101 14.325 242 HA VAL 35 HA VAL 35 -7.255 -18.530 15.939 243 HB VAL 35 HB VAL 35 -8.901 -18.929 17.778 244 1HG1 VAL 35 1HG1 VAL 35 -9.888 -17.331 15.396 245 2HG1 VAL 35 2HG1 VAL 35 -10.535 -17.184 17.031 246 3HG1 VAL 35 3HG1 VAL 35 -8.860 -16.742 16.703 247 1HG2 VAL 35 1HG2 VAL 35 -10.194 -20.416 15.641 248 2HG2 VAL 35 2HG2 VAL 35 -10.518 -20.450 17.374 249 3HG2 VAL 35 3HG2 VAL 35 -11.296 -19.238 16.355 250 H ASP 36 H ASP 36 -8.619 -21.441 14.644 251 HA ASP 36 HA ASP 36 -7.257 -23.154 16.661 252 1HB ASP 36 1HB ASP 36 -9.628 -23.265 15.138 253 2HB ASP 36 2HB ASP 36 -8.579 -24.516 14.470 254 H LEU 37 H LEU 37 -6.377 -21.614 13.828 255 HA LEU 37 HA LEU 37 -5.168 -23.529 12.171 256 1HB LEU 37 1HB LEU 37 -4.511 -20.708 13.007 257 2HB LEU 37 2HB LEU 37 -3.472 -21.560 11.866 258 HG LEU 37 HG LEU 37 -6.454 -21.101 11.539 259 1HD1 LEU 37 1HD1 LEU 37 -5.020 -19.081 11.233 260 2HD1 LEU 37 2HD1 LEU 37 -4.092 -19.959 10.017 261 3HD1 LEU 37 3HD1 LEU 37 -5.794 -19.591 9.733 262 1HD2 LEU 37 1HD2 LEU 37 -4.443 -22.770 10.109 263 2HD2 LEU 37 2HD2 LEU 37 -6.173 -23.030 10.317 264 3HD2 LEU 37 3HD2 LEU 37 -5.594 -21.880 9.112 265 H SER 38 H SER 38 -2.751 -24.007 12.045 266 HA SER 38 HA SER 38 -1.802 -25.358 14.344 267 1HB SER 38 1HB SER 38 -0.539 -24.248 11.837 268 2HB SER 38 2HB SER 38 0.424 -25.123 13.026 269 HG SER 38 HG SER 38 -1.160 -26.111 11.150 270 H ASP 39 H ASP 39 0.408 -24.758 15.396 271 HA ASP 39 HA ASP 39 0.116 -22.269 16.823 272 1HB ASP 39 1HB ASP 39 1.868 -24.630 16.720 273 2HB ASP 39 2HB ASP 39 2.704 -23.160 17.217 274 H SER 40 H SER 40 1.898 -23.226 13.944 275 HA SER 40 HA SER 40 2.866 -20.401 13.683 276 1HB SER 40 1HB SER 40 4.985 -21.388 12.791 277 2HB SER 40 2HB SER 40 4.685 -21.843 14.467 278 HG SER 40 HG SER 40 4.492 -23.372 12.132 279 H PHE 41 H PHE 41 0.516 -21.361 12.444 280 HA PHE 41 HA PHE 41 0.759 -22.530 9.890 281 1HB PHE 41 1HB PHE 41 -1.393 -22.179 10.825 282 2HB PHE 41 2HB PHE 41 -1.078 -20.485 11.143 283 HD1 PHE 41 HD1 PHE 41 -1.764 -22.971 8.470 284 HD2 PHE 41 HD2 PHE 41 -1.428 -18.804 9.462 285 HE1 PHE 41 HE1 PHE 41 -2.768 -22.368 6.285 286 HE2 PHE 41 HE2 PHE 41 -2.433 -18.203 7.277 287 HZ PHE 41 HZ PHE 41 -3.102 -19.986 5.688 288 H MET 42 H MET 42 1.661 -21.808 7.996 289 HA MET 42 HA MET 42 2.569 -18.955 7.877 290 1HB MET 42 2HB MET 42 4.282 -19.777 6.378 291 2HB MET 42 1HB MET 42 3.480 -21.338 6.232 292 1HG MET 42 2HG MET 42 3.985 -20.685 9.019 293 2HG MET 42 1HG MET 42 5.478 -20.635 8.084 294 1HE MET 42 1HE MET 42 5.806 -22.105 6.210 295 2HE MET 42 2HE MET 42 5.988 -23.834 6.491 296 3HE MET 42 3HE MET 42 4.521 -23.222 5.731 297 H CYS 43 H CYS 43 2.116 -17.768 5.947 298 HA CYS 43 HA CYS 43 -0.400 -18.261 4.695 299 1HB CYS 43 1HB CYS 43 0.946 -16.108 4.996 300 2HB CYS 43 2HB CYS 43 1.896 -16.632 3.607 301 HA PRO 44 HA PRO 44 0.999 -21.171 1.622 302 1HB PRO 44 1HB PRO 44 -1.290 -21.249 0.127 303 2HB PRO 44 2HB PRO 44 -1.126 -22.083 1.684 304 1HG PRO 44 2HG PRO 44 -2.939 -20.780 2.195 305 2HG PRO 44 1HG PRO 44 -2.494 -19.527 1.030 306 1HD PRO 44 1HD PRO 44 -1.728 -18.389 2.844 307 2HD PRO 44 2HD PRO 44 -1.672 -19.853 3.848 308 H ALA 45 H ALA 45 0.434 -17.875 1.203 309 HA ALA 45 HA ALA 45 1.149 -18.002 -1.700 310 1HB ALA 45 1HB ALA 45 -1.092 -17.067 -1.055 311 2HB ALA 45 3HB ALA 45 -0.067 -15.905 -1.897 312 3HB ALA 45 2HB ALA 45 -0.252 -15.811 -0.146 313 H CYS 46 H CYS 46 1.696 -16.213 1.344 314 HA CYS 46 HA CYS 46 4.254 -15.229 0.141 315 1HB CYS 46 1HB CYS 46 3.832 -13.129 1.047 316 2HB CYS 46 2HB CYS 46 2.197 -13.675 0.701 317 H ARG 47 H ARG 47 3.153 -17.446 2.297 318 HA ARG 47 HA ARG 47 4.170 -18.634 4.057 319 1HB ARG 47 1HB ARG 47 6.068 -17.868 2.177 320 2HB ARG 47 2HB ARG 47 6.794 -17.399 3.715 321 1HG ARG 47 1HG ARG 47 6.381 -19.670 4.600 322 2HG ARG 47 2HG ARG 47 5.666 -20.139 3.058 323 1HD ARG 47 1HD ARG 47 8.013 -19.205 2.133 324 2HD ARG 47 2HD ARG 47 8.536 -19.693 3.757 325 HE ARG 47 HE ARG 47 7.246 -21.510 1.758 326 1HH1 ARG 47 1HH1 ARG 47 7.264 -21.661 4.979 327 2HH1 ARG 47 2HH1 ARG 47 8.364 -22.987 5.152 328 1HH2 ARG 47 1HH2 ARG 47 9.399 -22.905 1.844 329 2HH2 ARG 47 2HH2 ARG 47 9.573 -23.692 3.377 330 H SER 48 H SER 48 3.239 -15.694 4.563 331 HA SER 48 HA SER 48 5.066 -14.691 6.602 332 1HB SER 48 1HB SER 48 2.306 -14.076 5.588 333 2HB SER 48 2HB SER 48 2.838 -13.355 7.105 334 HG SER 48 HG SER 48 4.749 -12.680 5.904 335 HA PRO 49 HA PRO 49 3.607 -16.987 10.053 336 1HB PRO 49 1HB PRO 49 3.571 -15.126 12.059 337 2HB PRO 49 2HB PRO 49 5.069 -15.798 11.390 338 1HG PRO 49 1HG PRO 49 3.751 -13.182 10.851 339 2HG PRO 49 2HG PRO 49 5.471 -13.569 10.995 340 1HD PRO 49 1HD PRO 49 4.176 -13.204 8.608 341 2HD PRO 49 2HD PRO 49 5.637 -14.194 8.800 342 H LYS 50 H LYS 50 1.601 -17.597 10.881 343 HA LYS 50 HA LYS 50 -0.827 -16.562 9.980 344 1HB LYS 50 1HB LYS 50 -0.421 -18.735 11.122 345 2HB LYS 50 2HB LYS 50 -0.211 -17.874 12.646 346 1HG LYS 50 1HG LYS 50 -2.568 -16.872 12.108 347 2HG LYS 50 2HG LYS 50 -2.712 -18.251 11.019 348 1HD LYS 50 1HD LYS 50 -2.719 -19.788 12.743 349 2HD LYS 50 2HD LYS 50 -1.739 -18.768 13.796 350 1HE LYS 50 1HE LYS 50 -4.553 -17.959 13.049 351 2HE LYS 50 2HE LYS 50 -4.239 -19.036 14.421 352 1HZ LYS 50 1HZ LYS 50 -2.513 -17.359 15.119 353 2HZ LYS 50 2HZ LYS 50 -3.178 -16.300 13.970 354 3HZ LYS 50 3HZ LYS 50 -4.125 -16.842 15.269 355 H ASN 51 H ASN 51 1.121 -15.423 12.690 356 HA ASN 51 HA ASN 51 -0.887 -13.841 13.981 357 1HB ASN 51 1HB ASN 51 1.422 -14.508 14.804 358 2HB ASN 51 2HB ASN 51 2.083 -13.273 13.733 359 2HD2 ASN 51 2HD2 ASN 51 2.849 -12.154 15.755 360 1HD2 ASN 51 1HD2 ASN 51 1.752 -11.222 16.655 361 H GLN 52 H GLN 52 0.655 -13.475 10.929 362 HA GLN 52 HA GLN 52 0.318 -10.551 10.815 363 1HB GLN 52 1HB GLN 52 1.848 -12.566 9.544 364 2HB GLN 52 2HB GLN 52 0.814 -11.875 8.293 365 1HG GLN 52 1HG GLN 52 2.595 -10.293 10.174 366 2HG GLN 52 2HG GLN 52 2.942 -10.629 8.478 367 2HE2 GLN 52 2HE2 GLN 52 0.588 -10.136 7.173 368 1HE2 GLN 52 1HE2 GLN 52 0.053 -8.549 7.441 369 H PHE 53 H PHE 53 -1.786 -13.164 10.578 370 HA PHE 53 HA PHE 53 -3.359 -12.133 8.299 371 1HB PHE 53 1HB PHE 53 -3.571 -14.423 10.262 372 2HB PHE 53 2HB PHE 53 -4.859 -14.067 9.115 373 HD1 PHE 53 HD1 PHE 53 -1.158 -14.630 9.261 374 HD2 PHE 53 HD2 PHE 53 -4.762 -14.935 6.945 375 HE1 PHE 53 HE1 PHE 53 0.089 -15.821 7.479 376 HE2 PHE 53 HE2 PHE 53 -3.515 -16.126 5.162 377 HZ PHE 53 HZ PHE 53 -1.091 -16.569 5.430 378 H LYS 54 H LYS 54 -4.980 -10.657 8.548 379 HA LYS 54 HA LYS 54 -5.982 -10.103 11.318 380 1HB LYS 54 1HB LYS 54 -4.849 -8.480 9.370 381 2HB LYS 54 2HB LYS 54 -6.576 -8.177 9.183 382 1HG LYS 54 1HG LYS 54 -5.709 -8.280 11.987 383 2HG LYS 54 2HG LYS 54 -4.950 -6.980 11.068 384 1HD LYS 54 1HD LYS 54 -7.786 -7.213 10.448 385 2HD LYS 54 2HD LYS 54 -7.520 -6.946 12.171 386 1HE LYS 54 1HE LYS 54 -6.714 -4.821 11.838 387 2HE LYS 54 2HE LYS 54 -5.874 -5.274 10.342 388 1HZ LYS 54 1HZ LYS 54 -8.827 -5.049 10.643 389 2HZ LYS 54 2HZ LYS 54 -7.843 -3.870 9.923 390 3HZ LYS 54 3HZ LYS 54 -7.988 -5.405 9.210 391 H SER 55 H SER 55 -8.105 -10.647 11.702 392 HA SER 55 HA SER 55 -9.749 -12.052 9.906 393 1HB SER 55 2HB SER 55 -10.021 -11.906 12.353 394 2HB SER 55 1HB SER 55 -11.525 -11.534 11.526 395 HG SER 55 HG SER 55 -11.412 -9.819 12.751 396 H ILE 56 H ILE 56 -12.136 -11.017 9.563 397 HA ILE 56 HA ILE 56 -11.802 -8.368 8.199 398 HB ILE 56 HB ILE 56 -13.150 -9.322 6.334 399 1HG1 ILE 56 2HG1 ILE 56 -13.537 -11.423 8.279 400 2HG1 ILE 56 1HG1 ILE 56 -12.851 -12.090 6.797 401 1HG2 ILE 56 1HG2 ILE 56 -10.477 -9.712 6.866 402 2HG2 ILE 56 2HG2 ILE 56 -11.031 -11.353 6.536 403 3HG2 ILE 56 3HG2 ILE 56 -11.263 -10.086 5.332 404 1HD1 ILE 56 1HD1 ILE 56 -14.975 -10.104 6.339 405 2HD1 ILE 56 2HD1 ILE 56 -14.740 -11.690 5.605 406 3HD1 ILE 56 3HD1 ILE 56 -15.522 -11.555 7.180 407 H LYS 57 H LYS 57 -12.875 -7.662 10.268 408 HA LYS 57 HA LYS 57 -15.814 -8.258 10.298 409 1HB LYS 57 1HB LYS 57 -14.300 -8.882 12.260 410 2HB LYS 57 2HB LYS 57 -14.075 -7.152 12.520 411 1HG LYS 57 1HG LYS 57 -16.845 -7.474 12.236 412 2HG LYS 57 2HG LYS 57 -16.334 -8.836 13.234 413 1HD LYS 57 1HD LYS 57 -16.401 -7.355 14.955 414 2HD LYS 57 2HD LYS 57 -14.880 -6.750 14.301 415 1HE LYS 57 1HE LYS 57 -15.888 -4.898 13.315 416 2HE LYS 57 2HE LYS 57 -17.448 -5.720 13.132 417 1HZ LYS 57 1HZ LYS 57 -16.298 -5.229 15.810 418 2HZ LYS 57 2HZ LYS 57 -17.185 -4.011 15.024 419 3HZ LYS 57 3HZ LYS 57 -17.918 -5.501 15.384 420 H LYS 58 H LYS 58 -15.712 -6.497 8.489 421 HA LYS 58 HA LYS 58 -15.541 -3.749 9.663 422 1HB LYS 58 1HB LYS 58 -15.518 -4.820 6.823 423 2HB LYS 58 2HB LYS 58 -15.452 -3.107 7.230 424 1HG LYS 58 1HG LYS 58 -13.468 -4.113 8.829 425 2HG LYS 58 2HG LYS 58 -13.348 -5.170 7.423 426 1HD LYS 58 1HD LYS 58 -13.721 -2.397 6.626 427 2HD LYS 58 2HD LYS 58 -12.300 -2.580 7.653 428 1HE LYS 58 1HE LYS 58 -12.284 -4.778 5.845 429 2HE LYS 58 2HE LYS 58 -12.596 -3.317 4.888 430 1HZ LYS 58 1HZ LYS 58 -10.761 -2.229 6.050 431 2HZ LYS 58 2HZ LYS 58 -10.450 -3.647 6.926 432 3HZ LYS 58 3HZ LYS 58 -10.218 -3.621 5.243 433 H VAL 59 H VAL 59 -17.469 -2.815 10.171 434 HA VAL 59 HA VAL 59 -19.881 -3.522 8.534 435 HB VAL 59 HB VAL 59 -19.616 -3.201 11.543 436 1HG1 VAL 59 1HG1 VAL 59 -21.771 -2.362 10.410 437 2HG1 VAL 59 2HG1 VAL 59 -22.076 -4.053 10.011 438 3HG1 VAL 59 3HG1 VAL 59 -21.958 -3.552 11.699 439 1HG2 VAL 59 1HG2 VAL 59 -18.759 -5.347 10.636 440 2HG2 VAL 59 2HG2 VAL 59 -20.218 -5.582 11.599 441 3HG2 VAL 59 3HG2 VAL 59 -20.309 -5.613 9.838 442 H ILE 60 H ILE 60 -19.871 -1.535 7.381 443 HA ILE 60 HA ILE 60 -20.283 0.914 9.066 444 HB ILE 60 HB ILE 60 -18.749 0.569 6.470 445 1HG1 ILE 60 2HG1 ILE 60 -17.988 0.868 9.358 446 2HG1 ILE 60 1HG1 ILE 60 -16.925 1.526 8.114 447 1HG2 ILE 60 1HG2 ILE 60 -19.291 3.029 8.160 448 2HG2 ILE 60 2HG2 ILE 60 -18.156 2.968 6.811 449 3HG2 ILE 60 3HG2 ILE 60 -19.881 2.735 6.525 450 1HD1 ILE 60 1HD1 ILE 60 -17.698 -1.061 7.240 451 2HD1 ILE 60 2HD1 ILE 60 -16.101 -0.541 7.776 452 3HD1 ILE 60 3HD1 ILE 60 -17.244 -1.214 8.937 453 H ALA 61 H ALA 61 -22.556 0.947 8.815 454 HA ALA 61 HA ALA 61 -24.620 1.267 7.704 455 1HB ALA 61 1HB ALA 61 -22.751 3.130 6.964 456 2HB ALA 61 3HB ALA 61 -24.448 3.191 6.487 457 3HB ALA 61 2HB ALA 61 -23.247 2.501 5.393 458 H GLY 62 H GLY 62 -24.865 1.463 4.757 459 1HA GLY 62 1HA GLY 62 -24.645 0.038 2.813 460 2HA GLY 62 2HA GLY 62 -24.055 -1.252 3.863 461 H PHE 63 H PHE 63 -25.927 -1.522 5.775 462 HA PHE 63 HA PHE 63 -28.028 -2.539 6.160 463 1HB PHE 63 1HB PHE 63 -28.311 -0.024 4.716 464 2HB PHE 63 2HB PHE 63 -29.661 -1.110 4.386 465 HD1 PHE 63 HD1 PHE 63 -30.934 -2.121 6.328 466 HD2 PHE 63 HD2 PHE 63 -28.081 1.052 6.825 467 HE1 PHE 63 HE1 PHE 63 -31.893 -1.608 8.557 468 HE2 PHE 63 HE2 PHE 63 -29.040 1.564 9.054 469 HZ PHE 63 HZ PHE 63 -30.947 0.235 9.920 470 H ALA 64 H ALA 64 -27.532 -4.603 5.177 471 HA ALA 64 HA ALA 64 -28.205 -4.934 2.296 472 1HB ALA 64 3HB ALA 64 -26.258 -6.090 2.686 473 2HB ALA 64 1HB ALA 64 -26.626 -6.327 4.395 474 3HB ALA 64 2HB ALA 64 -27.376 -7.361 3.179 475 H GLU 65 H GLU 65 -29.116 -7.541 2.277 476 HA GLU 65 HA GLU 65 -31.709 -7.334 3.771 477 1HB GLU 65 1HB GLU 65 -30.926 -8.546 1.104 478 2HB GLU 65 2HB GLU 65 -32.518 -8.757 1.834 479 1HG GLU 65 1HG GLU 65 -31.586 -5.961 1.754 480 2HG GLU 65 2HG GLU 65 -31.837 -6.686 0.166 481 H ASN 66 H ASN 66 -31.913 -8.841 5.370 482 HA ASN 66 HA ASN 66 -30.713 -11.548 4.953 483 1HB ASN 66 1HB ASN 66 -29.201 -10.077 6.285 484 2HB ASN 66 2HB ASN 66 -30.503 -9.830 7.449 485 2HD2 ASN 66 2HD2 ASN 66 -27.977 -11.089 8.138 486 1HD2 ASN 66 1HD2 ASN 66 -28.306 -12.699 8.561 487 H GLN 67 H GLN 67 -33.009 -12.127 4.546 488 HA GLN 67 HA GLN 67 -35.115 -12.943 5.246 489 1HB GLN 67 1HB GLN 67 -33.246 -14.064 6.727 490 2HB GLN 67 2HB GLN 67 -33.937 -13.071 8.010 491 1HG GLN 67 1HG GLN 67 -36.200 -14.020 7.398 492 2HG GLN 67 2HG GLN 67 -35.367 -15.143 6.323 493 2HE2 GLN 67 2HE2 GLN 67 -36.773 -16.338 8.356 494 1HE2 GLN 67 1HE2 GLN 67 -35.730 -16.901 9.572 495 H LYS 68 H LYS 68 -35.390 -10.323 5.001 496 HA LYS 68 HA LYS 68 -36.456 -9.291 7.607 497 1HB LYS 68 1HB LYS 68 -34.533 -8.176 6.241 498 2HB LYS 68 2HB LYS 68 -35.821 -7.659 5.152 499 1HG LYS 68 1HG LYS 68 -36.588 -6.111 6.622 500 2HG LYS 68 2HG LYS 68 -36.440 -7.213 7.990 501 1HD LYS 68 2HD LYS 68 -33.812 -6.759 7.417 502 2HD LYS 68 1HD LYS 68 -34.732 -5.829 8.600 503 1HE LYS 68 1HE LYS 68 -34.307 -5.097 5.678 504 2HE LYS 68 2HE LYS 68 -35.318 -4.185 6.816 505 1HZ LYS 68 1HZ LYS 68 -33.386 -3.999 8.288 506 2HZ LYS 68 2HZ LYS 68 -32.428 -4.821 7.155 507 3HZ LYS 68 3HZ LYS 68 -33.067 -3.293 6.776 508 H TYR 69 H TYR 69 -37.094 -9.265 4.076 509 HA TYR 69 HA TYR 69 -39.857 -8.371 4.462 510 1HB TYR 69 1HB TYR 69 -37.961 -8.992 2.258 511 2HB TYR 69 2HB TYR 69 -39.675 -9.163 1.876 512 HD1 TYR 69 HD1 TYR 69 -37.115 -6.807 3.197 513 HD2 TYR 69 HD2 TYR 69 -41.080 -7.256 1.608 514 HE1 TYR 69 HE1 TYR 69 -37.316 -4.343 3.002 515 HE2 TYR 69 HE2 TYR 69 -41.282 -4.791 1.413 516 HH TYR 69 HH TYR 69 -38.825 -2.638 2.723 517 H GLY 70 H GLY 70 -38.221 -11.417 3.585 518 1HA GLY 70 1HA GLY 70 -40.843 -12.812 3.959 519 2HA GLY 70 2HA GLY 70 -39.585 -13.386 2.864 No H/Q in entry = 519 Start of MODEL 17 1 H1 MET 1 1H MET 1 -15.887 -5.802 3.539 2 H2 MET 1 2H MET 1 -16.361 -5.920 1.911 3 H3 MET 1 3H MET 1 -15.321 -4.672 2.408 4 HA MET 1 HA MET 1 -17.053 -3.629 3.680 5 1HB MET 1 1HB MET 1 -17.093 -4.238 0.834 6 2HB MET 1 2HB MET 1 -18.710 -3.861 1.426 7 1HG MET 1 2HG MET 1 -17.597 -1.843 2.601 8 2HG MET 1 1HG MET 1 -17.799 -1.751 0.851 9 1HE MET 1 1HE MET 1 -16.316 -0.172 2.667 10 2HE MET 1 2HE MET 1 -14.643 -0.554 3.097 11 3HE MET 1 3HE MET 1 -15.001 0.266 1.580 12 H GLU 2 H GLU 2 -18.578 -4.211 5.171 13 HA GLU 2 HA GLU 2 -20.326 -5.420 6.212 14 1HB GLU 2 1HB GLU 2 -20.964 -5.424 3.261 15 2HB GLU 2 2HB GLU 2 -22.063 -6.153 4.430 16 1HG GLU 2 2HG GLU 2 -21.558 -3.766 5.642 17 2HG GLU 2 1HG GLU 2 -22.922 -4.042 4.558 18 H ILE 3 H ILE 3 -18.301 -7.032 6.463 19 HA ILE 3 HA ILE 3 -19.274 -9.695 5.519 20 HB ILE 3 HB ILE 3 -16.931 -10.243 4.893 21 1HG1 ILE 3 1HG1 ILE 3 -16.321 -7.306 5.241 22 2HG1 ILE 3 2HG1 ILE 3 -16.021 -8.467 6.533 23 1HG2 ILE 3 1HG2 ILE 3 -18.716 -8.957 3.391 24 2HG2 ILE 3 2HG2 ILE 3 -17.508 -7.674 3.470 25 3HG2 ILE 3 3HG2 ILE 3 -17.079 -9.251 2.806 26 1HD1 ILE 3 1HD1 ILE 3 -15.022 -9.178 3.815 27 2HD1 ILE 3 2HD1 ILE 3 -14.169 -7.893 4.671 28 3HD1 ILE 3 3HD1 ILE 3 -14.305 -9.496 5.395 29 H ASP 4 H ASP 4 -18.503 -11.459 6.876 30 HA ASP 4 HA ASP 4 -16.776 -11.172 9.116 31 1HB ASP 4 1HB ASP 4 -18.528 -11.115 10.886 32 2HB ASP 4 2HB ASP 4 -18.474 -9.627 9.941 33 H GLU 5 H GLU 5 -16.147 -13.233 9.049 34 HA GLU 5 HA GLU 5 -17.958 -15.409 9.742 35 1HB GLU 5 1HB GLU 5 -17.780 -14.640 7.053 36 2HB GLU 5 2HB GLU 5 -16.739 -16.058 7.172 37 1HG GLU 5 1HG GLU 5 -18.546 -17.396 7.250 38 2HG GLU 5 2HG GLU 5 -19.121 -16.553 8.689 39 H GLY 6 H GLY 6 -15.316 -14.194 10.530 40 1HA GLY 6 1HA GLY 6 -13.355 -15.087 11.482 41 2HA GLY 6 2HA GLY 6 -13.882 -16.687 10.963 42 H LYS 7 H LYS 7 -13.768 -14.155 8.586 43 HA LYS 7 HA LYS 7 -11.687 -15.620 7.104 44 1HB LYS 7 1HB LYS 7 -13.431 -13.193 6.614 45 2HB LYS 7 2HB LYS 7 -12.224 -13.733 5.447 46 1HG LYS 7 1HG LYS 7 -13.433 -15.584 4.854 47 2HG LYS 7 2HG LYS 7 -14.044 -15.833 6.490 48 1HD LYS 7 2HD LYS 7 -15.233 -13.451 5.802 49 2HD LYS 7 1HD LYS 7 -16.003 -15.031 5.658 50 1HE LYS 7 1HE LYS 7 -14.625 -13.417 3.502 51 2HE LYS 7 2HE LYS 7 -14.902 -15.160 3.323 52 1HZ LYS 7 1HZ LYS 7 -16.991 -13.169 4.054 53 2HZ LYS 7 2HZ LYS 7 -16.781 -13.810 2.495 54 3HZ LYS 7 3HZ LYS 7 -17.233 -14.828 3.775 55 H TYR 8 H TYR 8 -9.531 -15.043 7.130 56 HA TYR 8 HA TYR 8 -8.841 -12.405 8.386 57 1HB TYR 8 1HB TYR 8 -7.643 -15.162 8.452 58 2HB TYR 8 2HB TYR 8 -6.632 -13.757 8.797 59 HD1 TYR 8 HD1 TYR 8 -9.837 -15.413 9.747 60 HD2 TYR 8 HD2 TYR 8 -6.707 -12.706 10.915 61 HE1 TYR 8 HE1 TYR 8 -10.807 -15.285 12.026 62 HE2 TYR 8 HE2 TYR 8 -7.688 -12.573 13.194 63 HH TYR 8 HH TYR 8 -9.150 -13.574 14.629 64 H GLU 9 H GLU 9 -7.475 -11.042 7.267 65 HA GLU 9 HA GLU 9 -6.673 -11.918 4.523 66 1HB GLU 9 1HB GLU 9 -8.198 -9.926 4.967 67 2HB GLU 9 2HB GLU 9 -6.807 -9.131 5.706 68 1HG GLU 9 1HG GLU 9 -5.552 -9.586 3.532 69 2HG GLU 9 2HG GLU 9 -7.106 -10.049 2.838 70 H CYS 10 H CYS 10 -4.505 -12.091 4.047 71 HA CYS 10 HA CYS 10 -2.515 -11.792 6.151 72 1HB CYS 10 1HB CYS 10 -2.678 -13.409 4.098 73 2HB CYS 10 2HB CYS 10 -1.965 -12.073 3.214 74 H GLU 11 H GLU 11 -1.932 -9.715 6.730 75 HA GLU 11 HA GLU 11 -2.069 -7.429 4.983 76 1HB GLU 11 1HB GLU 11 -1.339 -8.142 7.695 77 2HB GLU 11 2HB GLU 11 -0.174 -7.000 7.030 78 1HG GLU 11 1HG GLU 11 -3.003 -6.376 6.436 79 2HG GLU 11 2HG GLU 11 -2.569 -6.280 8.142 80 H ALA 12 H ALA 12 0.156 -10.034 5.178 81 HA ALA 12 HA ALA 12 2.513 -8.536 4.289 82 1HB ALA 12 1HB ALA 12 1.753 -11.350 4.966 83 2HB ALA 12 2HB ALA 12 3.227 -11.080 4.035 84 3HB ALA 12 3HB ALA 12 3.044 -10.351 5.631 85 H CYS 13 H CYS 13 0.182 -10.836 2.767 86 HA CYS 13 HA CYS 13 1.378 -10.009 0.146 87 1HB CYS 13 2HB CYS 13 1.813 -12.363 1.028 88 2HB CYS 13 1HB CYS 13 1.150 -12.263 -0.599 89 H GLY 14 H GLY 14 -1.623 -10.818 1.854 90 1HA GLY 14 1HA GLY 14 -3.594 -9.396 1.270 91 2HA GLY 14 2HA GLY 14 -3.099 -9.540 -0.416 92 H TYR 15 H TYR 15 -2.820 -12.339 1.592 93 HA TYR 15 HA TYR 15 -4.794 -13.776 -0.045 94 1HB TYR 15 1HB TYR 15 -2.665 -14.805 0.523 95 2HB TYR 15 2HB TYR 15 -2.935 -14.514 2.239 96 HD1 TYR 15 HD1 TYR 15 -4.798 -15.721 3.428 97 HD2 TYR 15 HD2 TYR 15 -3.613 -16.698 -0.583 98 HE1 TYR 15 HE1 TYR 15 -5.964 -17.901 3.614 99 HE2 TYR 15 HE2 TYR 15 -4.781 -18.877 -0.397 100 HH TYR 15 HH TYR 15 -6.971 -19.648 1.343 101 H ILE 16 H ILE 16 -6.600 -14.961 0.965 102 HA ILE 16 HA ILE 16 -7.532 -13.712 3.532 103 HB ILE 16 HB ILE 16 -8.987 -14.425 0.967 104 1HG1 ILE 16 2HG1 ILE 16 -8.373 -11.882 2.472 105 2HG1 ILE 16 1HG1 ILE 16 -9.684 -11.958 1.294 106 1HG2 ILE 16 1HG2 ILE 16 -10.069 -13.738 3.707 107 2HG2 ILE 16 2HG2 ILE 16 -11.008 -13.481 2.237 108 3HG2 ILE 16 3HG2 ILE 16 -10.497 -15.109 2.684 109 1HD1 ILE 16 1HD1 ILE 16 -7.549 -13.174 -0.015 110 2HD1 ILE 16 2HD1 ILE 16 -8.121 -11.526 -0.278 111 3HD1 ILE 16 3HD1 ILE 16 -6.801 -11.832 0.851 112 H TYR 17 H TYR 17 -7.662 -15.250 5.108 113 HA TYR 17 HA TYR 17 -7.704 -18.110 4.440 114 1HB TYR 17 1HB TYR 17 -6.335 -17.345 6.276 115 2HB TYR 17 2HB TYR 17 -7.691 -16.484 7.002 116 HD1 TYR 17 HD1 TYR 17 -6.559 -19.916 6.014 117 HD2 TYR 17 HD2 TYR 17 -9.077 -17.560 8.582 118 HE1 TYR 17 HE1 TYR 17 -7.192 -21.959 7.271 119 HE2 TYR 17 HE2 TYR 17 -9.708 -19.604 9.837 120 HH TYR 17 HH TYR 17 -9.730 -21.922 9.681 121 H GLU 18 H GLU 18 -9.487 -19.441 4.571 122 HA GLU 18 HA GLU 18 -12.080 -18.191 5.407 123 1HB GLU 18 1HB GLU 18 -11.388 -20.320 3.359 124 2HB GLU 18 2HB GLU 18 -13.037 -19.856 3.775 125 1HG GLU 18 1HG GLU 18 -12.623 -17.568 3.045 126 2HG GLU 18 2HG GLU 18 -10.924 -17.937 2.746 127 HA PRO 19 HA PRO 19 -11.513 -21.408 8.523 128 1HB PRO 19 1HB PRO 19 -13.608 -20.617 10.108 129 2HB PRO 19 2HB PRO 19 -12.002 -19.877 10.158 130 1HG PRO 19 1HG PRO 19 -14.486 -18.909 8.843 131 2HG PRO 19 2HG PRO 19 -13.223 -18.002 9.679 132 1HD PRO 19 1HD PRO 19 -13.429 -18.161 6.958 133 2HD PRO 19 2HD PRO 19 -11.903 -17.875 7.818 134 H GLU 20 H GLU 20 -14.943 -20.572 8.167 135 HA GLU 20 HA GLU 20 -16.059 -23.107 8.351 136 1HB GLU 20 1HB GLU 20 -16.752 -20.478 7.360 137 2HB GLU 20 2HB GLU 20 -17.512 -21.723 6.369 138 1HG GLU 20 2HG GLU 20 -18.082 -22.805 8.710 139 2HG GLU 20 1HG GLU 20 -19.081 -21.497 8.077 140 H LYS 21 H LYS 21 -14.271 -21.781 5.633 141 HA LYS 21 HA LYS 21 -15.132 -23.988 3.850 142 1HB LYS 21 1HB LYS 21 -14.892 -21.526 3.204 143 2HB LYS 21 2HB LYS 21 -13.149 -21.759 3.339 144 1HG LYS 21 1HG LYS 21 -13.233 -22.430 1.177 145 2HG LYS 21 2HG LYS 21 -13.949 -23.919 1.796 146 1HD LYS 21 1HD LYS 21 -15.733 -21.554 1.343 147 2HD LYS 21 2HD LYS 21 -15.201 -22.487 -0.056 148 1HE LYS 21 1HE LYS 21 -15.929 -24.490 1.681 149 2HE LYS 21 2HE LYS 21 -17.112 -23.227 2.070 150 1HZ LYS 21 1HZ LYS 21 -17.285 -22.940 -0.444 151 2HZ LYS 21 2HZ LYS 21 -16.514 -24.446 -0.563 152 3HZ LYS 21 3HZ LYS 21 -18.015 -24.323 0.221 153 H GLY 22 H GLY 22 -12.205 -22.787 5.466 154 1HA GLY 22 1HA GLY 22 -10.460 -24.239 6.286 155 2HA GLY 22 2HA GLY 22 -11.028 -25.495 5.186 156 H ASP 23 H ASP 23 -8.350 -23.997 5.627 157 HA ASP 23 HA ASP 23 -7.860 -22.742 3.014 158 1HB ASP 23 1HB ASP 23 -6.895 -22.134 5.340 159 2HB ASP 23 2HB ASP 23 -5.840 -23.529 5.118 160 H LYS 24 H LYS 24 -8.649 -25.063 2.190 161 HA LYS 24 HA LYS 24 -7.243 -27.432 2.261 162 1HB LYS 24 1HB LYS 24 -9.098 -26.129 0.597 163 2HB LYS 24 2HB LYS 24 -7.818 -26.677 -0.483 164 1HG LYS 24 1HG LYS 24 -8.356 -28.764 1.406 165 2HG LYS 24 2HG LYS 24 -9.889 -28.230 0.720 166 1HD LYS 24 2HD LYS 24 -8.092 -28.327 -1.448 167 2HD LYS 24 1HD LYS 24 -9.410 -29.450 -1.114 168 1HE LYS 24 1HE LYS 24 -6.494 -29.703 -0.345 169 2HE LYS 24 2HE LYS 24 -7.754 -30.644 0.476 170 1HZ LYS 24 1HZ LYS 24 -7.533 -30.477 -2.480 171 2HZ LYS 24 2HZ LYS 24 -6.768 -31.697 -1.581 172 3HZ LYS 24 3HZ LYS 24 -8.462 -31.564 -1.569 173 H PHE 25 H PHE 25 -6.156 -24.436 0.765 174 HA PHE 25 HA PHE 25 -4.012 -25.533 -0.814 175 1HB PHE 25 1HB PHE 25 -4.801 -22.876 0.345 176 2HB PHE 25 2HB PHE 25 -3.203 -23.047 -0.383 177 HD1 PHE 25 HD1 PHE 25 -2.987 -23.757 -2.773 178 HD2 PHE 25 HD2 PHE 25 -6.788 -22.844 -0.994 179 HE1 PHE 25 HE1 PHE 25 -3.994 -23.554 -5.029 180 HE2 PHE 25 HE2 PHE 25 -7.796 -22.639 -3.251 181 HZ PHE 25 HZ PHE 25 -6.399 -22.996 -5.269 182 H ALA 26 H ALA 26 -4.285 -24.513 2.566 183 HA ALA 26 HA ALA 26 -1.392 -25.014 3.030 184 1HB ALA 26 3HB ALA 26 -2.103 -23.061 4.098 185 2HB ALA 26 1HB ALA 26 -3.693 -23.727 4.467 186 3HB ALA 26 2HB ALA 26 -2.285 -24.239 5.398 187 H GLY 27 H GLY 27 -4.543 -26.446 3.595 188 1HA GLY 27 1HA GLY 27 -4.515 -28.930 3.933 189 2HA GLY 27 2HA GLY 27 -3.195 -28.672 5.072 190 H ILE 28 H ILE 28 -5.885 -26.438 5.004 191 HA ILE 28 HA ILE 28 -6.744 -27.522 7.659 192 HB ILE 28 HB ILE 28 -6.748 -24.759 6.416 193 1HG1 ILE 28 1HG1 ILE 28 -5.567 -25.166 9.062 194 2HG1 ILE 28 2HG1 ILE 28 -4.809 -26.165 7.823 195 1HG2 ILE 28 1HG2 ILE 28 -8.820 -25.102 7.737 196 2HG2 ILE 28 2HG2 ILE 28 -7.846 -25.629 9.111 197 3HG2 ILE 28 3HG2 ILE 28 -7.730 -23.967 8.534 198 1HD1 ILE 28 1HD1 ILE 28 -5.344 -23.384 6.991 199 2HD1 ILE 28 2HD1 ILE 28 -4.168 -23.543 8.295 200 3HD1 ILE 28 3HD1 ILE 28 -3.900 -24.370 6.760 201 HA PRO 29 HA PRO 29 -10.474 -28.456 5.308 202 1HB PRO 29 1HB PRO 29 -11.798 -29.701 7.361 203 2HB PRO 29 2HB PRO 29 -10.543 -30.498 6.395 204 1HG PRO 29 2HG PRO 29 -9.619 -30.747 8.488 205 2HG PRO 29 1HG PRO 29 -10.371 -29.269 9.104 206 1HD PRO 29 1HD PRO 29 -8.292 -28.379 8.771 207 2HD PRO 29 2HD PRO 29 -7.852 -29.613 7.574 208 HA PRO 30 HA PRO 30 -13.303 -25.320 6.579 209 1HB PRO 30 1HB PRO 30 -15.769 -26.501 6.505 210 2HB PRO 30 2HB PRO 30 -14.857 -26.078 5.043 211 1HG PRO 30 2HG PRO 30 -15.175 -28.347 4.701 212 2HG PRO 30 1HG PRO 30 -15.109 -28.708 6.433 213 1HD PRO 30 1HD PRO 30 -12.961 -29.347 5.882 214 2HD PRO 30 2HD PRO 30 -12.871 -28.219 4.513 215 H GLY 31 H GLY 31 -15.596 -25.354 8.097 216 1HA GLY 31 1HA GLY 31 -16.211 -25.229 10.370 217 2HA GLY 31 2HA GLY 31 -15.800 -26.944 10.376 218 H THR 32 H THR 32 -13.349 -24.553 9.657 219 HA THR 32 HA THR 32 -12.176 -24.987 12.385 220 HB THR 32 HB THR 32 -10.761 -24.830 9.705 221 HG1 THR 32 HG1 THR 32 -10.415 -27.100 10.191 222 1HG2 THR 32 1HG2 THR 32 -9.783 -24.368 12.258 223 2HG2 THR 32 2HG2 THR 32 -9.390 -26.065 11.974 224 3HG2 THR 32 3HG2 THR 32 -8.818 -24.827 10.855 225 HA PRO 33 HA PRO 33 -12.402 -20.492 11.958 226 1HB PRO 33 1HB PRO 33 -11.854 -19.936 14.580 227 2HB PRO 33 2HB PRO 33 -13.465 -20.403 14.005 228 1HG PRO 33 2HG PRO 33 -13.135 -22.056 15.575 229 2HG PRO 33 1HG PRO 33 -11.379 -22.047 15.359 230 1HD PRO 33 1HD PRO 33 -11.785 -23.919 14.107 231 2HD PRO 33 2HD PRO 33 -13.470 -23.456 13.790 232 H PHE 34 H PHE 34 -10.773 -18.918 11.793 233 HA PHE 34 HA PHE 34 -8.101 -19.679 11.331 234 1HB PHE 34 1HB PHE 34 -9.069 -17.630 10.499 235 2HB PHE 34 2HB PHE 34 -9.413 -17.068 12.124 236 HD1 PHE 34 HD1 PHE 34 -7.638 -16.210 13.575 237 HD2 PHE 34 HD2 PHE 34 -6.797 -17.582 9.592 238 HE1 PHE 34 HE1 PHE 34 -5.412 -15.125 13.673 239 HE2 PHE 34 HE2 PHE 34 -4.569 -16.499 9.691 240 HZ PHE 34 HZ PHE 34 -3.875 -15.270 11.731 241 H VAL 35 H VAL 35 -9.709 -18.886 14.346 242 HA VAL 35 HA VAL 35 -7.339 -18.339 15.904 243 HB VAL 35 HB VAL 35 -8.956 -18.663 17.780 244 1HG1 VAL 35 1HG1 VAL 35 -8.833 -16.574 16.275 245 2HG1 VAL 35 2HG1 VAL 35 -10.308 -17.183 15.522 246 3HG1 VAL 35 3HG1 VAL 35 -10.296 -16.781 17.240 247 1HG2 VAL 35 1HG2 VAL 35 -10.246 -20.293 15.814 248 2HG2 VAL 35 2HG2 VAL 35 -10.703 -20.052 17.501 249 3HG2 VAL 35 3HG2 VAL 35 -11.346 -18.984 16.252 250 H ASP 36 H ASP 36 -8.660 -21.255 14.636 251 HA ASP 36 HA ASP 36 -7.419 -22.942 16.744 252 1HB ASP 36 1HB ASP 36 -9.418 -23.215 14.552 253 2HB ASP 36 2HB ASP 36 -8.498 -24.661 14.970 254 H LEU 37 H LEU 37 -6.447 -21.497 13.841 255 HA LEU 37 HA LEU 37 -5.069 -23.459 12.392 256 1HB LEU 37 1HB LEU 37 -4.378 -20.593 13.098 257 2HB LEU 37 2HB LEU 37 -3.504 -21.516 11.875 258 HG LEU 37 HG LEU 37 -6.474 -20.881 11.867 259 1HD1 LEU 37 1HD1 LEU 37 -4.131 -19.939 10.192 260 2HD1 LEU 37 2HD1 LEU 37 -5.816 -19.669 9.747 261 3HD1 LEU 37 3HD1 LEU 37 -5.169 -18.954 11.224 262 1HD2 LEU 37 1HD2 LEU 37 -4.780 -22.777 10.306 263 2HD2 LEU 37 2HD2 LEU 37 -6.481 -22.900 10.754 264 3HD2 LEU 37 3HD2 LEU 37 -5.996 -21.863 9.414 265 H SER 38 H SER 38 -2.684 -23.927 12.424 266 HA SER 38 HA SER 38 -1.813 -24.953 14.946 267 1HB SER 38 1HB SER 38 -1.159 -25.229 12.304 268 2HB SER 38 2HB SER 38 0.220 -24.303 12.895 269 HG SER 38 HG SER 38 0.882 -25.981 13.949 270 H ASP 39 H ASP 39 0.433 -24.268 15.858 271 HA ASP 39 HA ASP 39 0.267 -21.499 16.722 272 1HB ASP 39 1HB ASP 39 2.345 -23.690 17.034 273 2HB ASP 39 2HB ASP 39 2.370 -22.165 17.921 274 H SER 40 H SER 40 1.853 -23.143 14.101 275 HA SER 40 HA SER 40 3.373 -20.629 13.488 276 1HB SER 40 1HB SER 40 4.151 -23.533 13.495 277 2HB SER 40 2HB SER 40 4.967 -22.421 12.397 278 HG SER 40 HG SER 40 4.663 -21.924 15.163 279 H PHE 41 H PHE 41 0.701 -21.413 12.510 280 HA PHE 41 HA PHE 41 0.720 -22.642 9.957 281 1HB PHE 41 1HB PHE 41 -1.358 -22.187 11.011 282 2HB PHE 41 2HB PHE 41 -0.952 -20.507 11.298 283 HD1 PHE 41 HD1 PHE 41 -1.681 -22.968 8.580 284 HD2 PHE 41 HD2 PHE 41 -1.531 -18.830 9.723 285 HE1 PHE 41 HE1 PHE 41 -2.775 -22.336 6.445 286 HE2 PHE 41 HE2 PHE 41 -2.625 -18.201 7.591 287 HZ PHE 41 HZ PHE 41 -3.245 -19.953 5.951 288 H MET 42 H MET 42 1.773 -22.018 8.120 289 HA MET 42 HA MET 42 2.646 -19.165 7.882 290 1HB MET 42 1HB MET 42 3.583 -21.654 6.413 291 2HB MET 42 2HB MET 42 4.361 -20.073 6.400 292 1HG MET 42 1HG MET 42 4.556 -20.319 8.946 293 2HG MET 42 2HG MET 42 4.127 -22.013 8.707 294 1HE MET 42 1HE MET 42 6.632 -21.073 10.120 295 2HE MET 42 2HE MET 42 8.135 -20.931 9.198 296 3HE MET 42 3HE MET 42 6.936 -19.642 9.138 297 H CYS 43 H CYS 43 2.024 -17.984 6.054 298 HA CYS 43 HA CYS 43 -0.385 -18.509 4.723 299 1HB CYS 43 1HB CYS 43 1.173 -16.424 4.890 300 2HB CYS 43 2HB CYS 43 1.918 -17.071 3.430 301 HA PRO 44 HA PRO 44 0.877 -21.704 1.889 302 1HB PRO 44 1HB PRO 44 -1.377 -21.735 0.340 303 2HB PRO 44 2HB PRO 44 -1.301 -22.467 1.954 304 1HG PRO 44 2HG PRO 44 -3.039 -21.014 2.317 305 2HG PRO 44 1HG PRO 44 -2.471 -19.870 1.095 306 1HD PRO 44 1HD PRO 44 -1.691 -18.684 2.875 307 2HD PRO 44 2HD PRO 44 -1.737 -20.096 3.951 308 H ALA 45 H ALA 45 0.560 -18.419 1.202 309 HA ALA 45 HA ALA 45 1.426 -18.845 -1.633 310 1HB ALA 45 1HB ALA 45 -0.872 -17.838 -1.178 311 2HB ALA 45 3HB ALA 45 0.192 -16.866 -2.195 312 3HB ALA 45 2HB ALA 45 -0.027 -16.447 -0.497 313 H CYS 46 H CYS 46 1.728 -16.715 1.224 314 HA CYS 46 HA CYS 46 4.346 -15.806 0.098 315 1HB CYS 46 2HB CYS 46 2.195 -14.297 0.595 316 2HB CYS 46 1HB CYS 46 3.825 -13.677 0.810 317 H ARG 47 H ARG 47 3.249 -17.987 2.255 318 HA ARG 47 HA ARG 47 4.189 -19.062 4.123 319 1HB ARG 47 1HB ARG 47 6.559 -17.638 2.889 320 2HB ARG 47 2HB ARG 47 6.701 -18.880 4.134 321 1HG ARG 47 1HG ARG 47 5.056 -20.149 2.389 322 2HG ARG 47 2HG ARG 47 5.976 -19.145 1.267 323 1HD ARG 47 1HD ARG 47 8.089 -20.036 2.193 324 2HD ARG 47 2HD ARG 47 7.168 -21.039 3.328 325 HE ARG 47 HE ARG 47 6.429 -21.331 0.485 326 1HH1 ARG 47 1HH1 ARG 47 9.295 -22.154 1.748 327 2HH1 ARG 47 2HH1 ARG 47 9.064 -23.870 1.757 328 1HH2 ARG 47 1HH2 ARG 47 5.662 -23.682 1.112 329 2HH2 ARG 47 2HH2 ARG 47 7.007 -24.735 1.397 330 H SER 48 H SER 48 3.220 -16.148 4.488 331 HA SER 48 HA SER 48 5.008 -14.985 6.478 332 1HB SER 48 1HB SER 48 3.634 -13.442 5.370 333 2HB SER 48 2HB SER 48 2.233 -14.512 5.421 334 HG SER 48 HG SER 48 1.864 -13.983 7.475 335 HA PRO 49 HA PRO 49 3.613 -17.228 10.001 336 1HB PRO 49 1HB PRO 49 3.752 -15.313 11.955 337 2HB PRO 49 2HB PRO 49 5.185 -16.092 11.257 338 1HG PRO 49 2HG PRO 49 5.686 -13.887 10.802 339 2HG PRO 49 1HG PRO 49 3.984 -13.427 10.655 340 1HD PRO 49 1HD PRO 49 4.433 -13.546 8.409 341 2HD PRO 49 2HD PRO 49 5.792 -14.666 8.644 342 H LYS 50 H LYS 50 1.612 -17.698 10.924 343 HA LYS 50 HA LYS 50 -0.791 -16.566 10.074 344 1HB LYS 50 1HB LYS 50 -0.451 -18.712 11.304 345 2HB LYS 50 2HB LYS 50 -0.157 -17.792 12.778 346 1HG LYS 50 1HG LYS 50 -2.457 -16.709 12.346 347 2HG LYS 50 2HG LYS 50 -2.720 -18.023 11.199 348 1HD LYS 50 1HD LYS 50 -2.615 -19.671 12.880 349 2HD LYS 50 2HD LYS 50 -1.793 -18.594 14.010 350 1HE LYS 50 1HE LYS 50 -3.926 -17.175 14.006 351 2HE LYS 50 2HE LYS 50 -4.705 -18.531 13.169 352 1HZ LYS 50 1HZ LYS 50 -3.150 -18.795 15.690 353 2HZ LYS 50 2HZ LYS 50 -4.844 -18.664 15.638 354 3HZ LYS 50 3HZ LYS 50 -4.077 -19.999 14.930 355 H ASN 51 H ASN 51 1.325 -15.410 12.642 356 HA ASN 51 HA ASN 51 -0.585 -13.665 13.904 357 1HB ASN 51 1HB ASN 51 1.626 -14.472 14.808 358 2HB ASN 51 2HB ASN 51 2.427 -13.389 13.670 359 2HD2 ASN 51 2HD2 ASN 51 3.171 -12.569 16.010 360 1HD2 ASN 51 1HD2 ASN 51 2.223 -11.322 16.666 361 H GLN 52 H GLN 52 0.885 -13.537 10.827 362 HA GLN 52 HA GLN 52 0.843 -10.592 10.641 363 1HB GLN 52 1HB GLN 52 2.166 -12.776 9.410 364 2HB GLN 52 2HB GLN 52 1.191 -12.017 8.153 365 1HG GLN 52 1HG GLN 52 3.058 -10.504 10.003 366 2HG GLN 52 2HG GLN 52 3.486 -11.019 8.371 367 2HE2 GLN 52 2HE2 GLN 52 1.118 -10.476 6.961 368 1HE2 GLN 52 1HE2 GLN 52 0.792 -8.811 7.012 369 H PHE 53 H PHE 53 -1.484 -13.035 10.472 370 HA PHE 53 HA PHE 53 -2.983 -11.876 8.198 371 1HB PHE 53 1HB PHE 53 -3.472 -14.113 10.185 372 2HB PHE 53 2HB PHE 53 -4.607 -13.686 8.910 373 HD1 PHE 53 HD1 PHE 53 -0.992 -14.552 9.411 374 HD2 PHE 53 HD2 PHE 53 -4.390 -14.627 6.786 375 HE1 PHE 53 HE1 PHE 53 0.305 -15.882 7.773 376 HE2 PHE 53 HE2 PHE 53 -3.093 -15.959 5.147 377 HZ PHE 53 HZ PHE 53 -0.745 -16.586 5.639 378 H LYS 54 H LYS 54 -4.413 -10.217 8.494 379 HA LYS 54 HA LYS 54 -5.201 -9.496 11.268 380 1HB LYS 54 1HB LYS 54 -4.213 -7.787 9.807 381 2HB LYS 54 2HB LYS 54 -5.449 -8.092 8.586 382 1HG LYS 54 2HG LYS 54 -6.902 -7.627 10.924 383 2HG LYS 54 1HG LYS 54 -6.675 -6.487 9.599 384 1HD LYS 54 1HD LYS 54 -4.566 -6.756 11.729 385 2HD LYS 54 2HD LYS 54 -4.917 -5.378 10.685 386 1HE LYS 54 1HE LYS 54 -6.459 -4.552 12.146 387 2HE LYS 54 2HE LYS 54 -7.192 -6.148 12.391 388 1HZ LYS 54 1HZ LYS 54 -4.502 -5.515 13.447 389 2HZ LYS 54 2HZ LYS 54 -5.895 -5.113 14.334 390 3HZ LYS 54 3HZ LYS 54 -5.577 -6.733 13.944 391 H SER 55 H SER 55 -7.326 -9.597 11.947 392 HA SER 55 HA SER 55 -9.186 -11.206 10.365 393 1HB SER 55 1HB SER 55 -10.293 -9.924 12.725 394 2HB SER 55 2HB SER 55 -9.985 -11.625 12.446 395 HG SER 55 HG SER 55 -8.771 -10.726 14.194 396 H ILE 56 H ILE 56 -11.299 -10.472 9.676 397 HA ILE 56 HA ILE 56 -11.773 -7.533 9.665 398 HB ILE 56 HB ILE 56 -10.416 -8.070 7.681 399 1HG1 ILE 56 2HG1 ILE 56 -13.252 -7.209 7.470 400 2HG1 ILE 56 1HG1 ILE 56 -12.443 -7.608 5.953 401 1HG2 ILE 56 1HG2 ILE 56 -11.854 -10.470 7.743 402 2HG2 ILE 56 2HG2 ILE 56 -12.422 -9.651 6.288 403 3HG2 ILE 56 3HG2 ILE 56 -10.702 -9.973 6.504 404 1HD1 ILE 56 1HD1 ILE 56 -10.878 -5.949 7.851 405 2HD1 ILE 56 2HD1 ILE 56 -11.013 -5.829 6.098 406 3HD1 ILE 56 3HD1 ILE 56 -12.282 -5.165 7.127 407 H LYS 57 H LYS 57 -13.538 -8.346 11.128 408 HA LYS 57 HA LYS 57 -15.831 -9.455 9.539 409 1HB LYS 57 2HB LYS 57 -16.455 -10.663 11.592 410 2HB LYS 57 1HB LYS 57 -15.095 -9.933 12.446 411 1HG LYS 57 2HG LYS 57 -14.305 -11.229 9.938 412 2HG LYS 57 1HG LYS 57 -15.030 -12.350 11.091 413 1HD LYS 57 2HD LYS 57 -12.819 -10.405 11.807 414 2HD LYS 57 1HD LYS 57 -12.529 -12.081 11.339 415 1HE LYS 57 1HE LYS 57 -12.731 -11.555 13.884 416 2HE LYS 57 2HE LYS 57 -14.471 -11.438 13.562 417 1HZ LYS 57 1HZ LYS 57 -14.256 -13.607 12.371 418 2HZ LYS 57 2HZ LYS 57 -12.670 -13.729 12.969 419 3HZ LYS 57 3HZ LYS 57 -13.987 -13.711 14.042 420 H LYS 58 H LYS 58 -16.203 -7.008 9.280 421 HA LYS 58 HA LYS 58 -17.730 -5.987 11.652 422 1HB LYS 58 1HB LYS 58 -15.635 -4.730 9.900 423 2HB LYS 58 2HB LYS 58 -16.870 -3.706 10.631 424 1HG LYS 58 2HG LYS 58 -15.926 -5.505 12.639 425 2HG LYS 58 1HG LYS 58 -15.749 -3.751 12.580 426 1HD LYS 58 2HD LYS 58 -13.934 -5.474 10.917 427 2HD LYS 58 1HD LYS 58 -13.603 -5.277 12.638 428 1HE LYS 58 1HE LYS 58 -13.932 -3.002 10.643 429 2HE LYS 58 2HE LYS 58 -13.551 -2.826 12.366 430 1HZ LYS 58 1HZ LYS 58 -11.589 -4.212 12.026 431 2HZ LYS 58 2HZ LYS 58 -11.949 -4.357 10.375 432 3HZ LYS 58 3HZ LYS 58 -11.528 -2.844 11.021 433 H VAL 59 H VAL 59 -19.224 -4.100 10.851 434 HA VAL 59 HA VAL 59 -20.191 -4.544 8.064 435 HB VAL 59 HB VAL 59 -22.494 -4.833 8.979 436 1HG1 VAL 59 1HG1 VAL 59 -20.990 -6.790 8.509 437 2HG1 VAL 59 2HG1 VAL 59 -20.516 -6.776 10.207 438 3HG1 VAL 59 3HG1 VAL 59 -22.189 -7.110 9.763 439 1HG2 VAL 59 1HG2 VAL 59 -21.714 -3.608 11.179 440 2HG2 VAL 59 2HG2 VAL 59 -22.950 -4.863 11.268 441 3HG2 VAL 59 3HG2 VAL 59 -21.280 -5.237 11.697 442 H ILE 60 H ILE 60 -21.670 -2.790 7.376 443 HA ILE 60 HA ILE 60 -21.196 -0.260 8.917 444 HB ILE 60 HB ILE 60 -21.804 -0.721 5.977 445 1HG1 ILE 60 1HG1 ILE 60 -19.171 -0.098 7.350 446 2HG1 ILE 60 2HG1 ILE 60 -19.615 -1.665 6.674 447 1HG2 ILE 60 1HG2 ILE 60 -21.780 1.625 7.647 448 2HG2 ILE 60 2HG2 ILE 60 -20.463 1.730 6.479 449 3HG2 ILE 60 3HG2 ILE 60 -22.121 1.508 5.920 450 1HD1 ILE 60 1HD1 ILE 60 -19.892 0.694 4.879 451 2HD1 ILE 60 2HD1 ILE 60 -18.250 0.180 5.263 452 3HD1 ILE 60 3HD1 ILE 60 -19.373 -0.949 4.503 453 H ALA 61 H ALA 61 -23.031 0.370 9.994 454 HA ALA 61 HA ALA 61 -25.689 -0.276 8.761 455 1HB ALA 61 3HB ALA 61 -26.500 -0.272 11.074 456 2HB ALA 61 2HB ALA 61 -24.924 0.274 11.647 457 3HB ALA 61 1HB ALA 61 -25.097 -1.334 10.946 458 H GLY 62 H GLY 62 -27.193 1.474 10.397 459 1HA GLY 62 1HA GLY 62 -26.358 4.103 9.265 460 2HA GLY 62 2HA GLY 62 -28.016 3.665 9.676 461 H PHE 63 H PHE 63 -28.727 4.005 11.783 462 HA PHE 63 HA PHE 63 -26.850 4.493 13.981 463 1HB PHE 63 2HB PHE 63 -26.738 6.576 12.637 464 2HB PHE 63 1HB PHE 63 -27.467 6.876 14.215 465 HD1 PHE 63 HD1 PHE 63 -29.894 7.244 14.435 466 HD2 PHE 63 HD2 PHE 63 -28.054 6.672 10.596 467 HE1 PHE 63 HE1 PHE 63 -31.942 8.096 13.327 468 HE2 PHE 63 HE2 PHE 63 -30.101 7.524 9.487 469 HZ PHE 63 HZ PHE 63 -32.046 8.236 10.853 470 H ALA 64 H ALA 64 -28.030 4.882 16.022 471 HA ALA 64 HA ALA 64 -30.981 4.424 15.896 472 1HB ALA 64 3HB ALA 64 -29.863 2.246 16.120 473 2HB ALA 64 1HB ALA 64 -28.934 2.847 17.493 474 3HB ALA 64 2HB ALA 64 -30.681 2.652 17.628 475 H GLU 65 H GLU 65 -29.972 6.901 16.447 476 HA GLU 65 HA GLU 65 -29.888 7.120 19.431 477 1HB GLU 65 1HB GLU 65 -28.911 9.367 18.897 478 2HB GLU 65 2HB GLU 65 -27.975 8.035 18.220 479 1HG GLU 65 1HG GLU 65 -28.621 8.506 16.047 480 2HG GLU 65 2HG GLU 65 -30.156 9.217 16.547 481 H ASN 66 H ASN 66 -32.435 6.668 18.319 482 HA ASN 66 HA ASN 66 -33.946 8.920 17.530 483 1HB ASN 66 1HB ASN 66 -35.836 7.598 18.501 484 2HB ASN 66 2HB ASN 66 -34.752 6.606 17.528 485 2HD2 ASN 66 2HD2 ASN 66 -36.445 6.420 20.320 486 1HD2 ASN 66 1HD2 ASN 66 -35.403 5.456 21.252 487 H GLN 67 H GLN 67 -35.219 10.426 18.781 488 HA GLN 67 HA GLN 67 -34.995 10.507 21.702 489 1HB GLN 67 1HB GLN 67 -33.659 12.578 21.734 490 2HB GLN 67 2HB GLN 67 -32.775 11.297 20.905 491 1HG GLN 67 1HG GLN 67 -34.027 12.312 18.778 492 2HG GLN 67 2HG GLN 67 -34.047 13.760 19.784 493 2HE2 GLN 67 2HE2 GLN 67 -32.461 14.768 18.289 494 1HE2 GLN 67 1HE2 GLN 67 -30.825 14.317 18.350 495 H LYS 68 H LYS 68 -37.066 10.635 19.515 496 HA LYS 68 HA LYS 68 -38.113 13.398 19.719 497 1HB LYS 68 1HB LYS 68 -38.296 11.117 17.958 498 2HB LYS 68 2HB LYS 68 -39.915 11.644 18.416 499 1HG LYS 68 1HG LYS 68 -38.128 13.884 17.813 500 2HG LYS 68 2HG LYS 68 -38.341 12.797 16.441 501 1HD LYS 68 2HD LYS 68 -40.877 12.917 17.057 502 2HD LYS 68 1HD LYS 68 -40.148 14.277 16.203 503 1HE LYS 68 1HE LYS 68 -41.554 14.469 18.588 504 2HE LYS 68 2HE LYS 68 -39.860 14.501 19.115 505 1HZ LYS 68 1HZ LYS 68 -40.863 16.077 16.808 506 2HZ LYS 68 2HZ LYS 68 -40.817 16.705 18.382 507 3HZ LYS 68 3HZ LYS 68 -39.375 16.241 17.612 508 H TYR 69 H TYR 69 -38.044 12.174 22.242 509 HA TYR 69 HA TYR 69 -40.827 11.211 22.739 510 1HB TYR 69 1HB TYR 69 -38.173 11.082 24.163 511 2HB TYR 69 2HB TYR 69 -39.671 10.763 25.040 512 HD1 TYR 69 HD1 TYR 69 -41.379 9.296 23.349 513 HD2 TYR 69 HD2 TYR 69 -37.092 9.120 23.539 514 HE1 TYR 69 HE1 TYR 69 -41.432 6.998 22.419 515 HE2 TYR 69 HE2 TYR 69 -37.144 6.822 22.610 516 HH TYR 69 HH TYR 69 -39.874 4.943 22.505 517 H GLY 70 H GLY 70 -41.301 11.981 25.278 518 1HA GLY 70 1HA GLY 70 -40.567 14.646 25.998 519 2HA GLY 70 2HA GLY 70 -42.086 14.698 25.103 No H/Q in entry = 519 Start of MODEL 18 1 H1 MET 1 1H MET 1 -13.834 -6.182 3.172 2 H2 MET 1 2H MET 1 -14.036 -7.271 1.887 3 H3 MET 1 3H MET 1 -13.077 -5.884 1.680 4 HA MET 1 HA MET 1 -14.915 -4.450 1.664 5 1HB MET 1 1HB MET 1 -14.481 -6.351 -0.181 6 2HB MET 1 2HB MET 1 -16.107 -6.829 0.308 7 1HG MET 1 1HG MET 1 -16.740 -4.351 0.001 8 2HG MET 1 2HG MET 1 -15.203 -4.187 -0.848 9 1HE MET 1 1HE MET 1 -18.306 -3.980 -1.169 10 2HE MET 1 2HE MET 1 -18.004 -3.685 -2.879 11 3HE MET 1 3HE MET 1 -19.055 -5.013 -2.393 12 H GLU 2 H GLU 2 -16.242 -7.744 2.214 13 HA GLU 2 HA GLU 2 -18.080 -6.569 4.259 14 1HB GLU 2 1HB GLU 2 -19.186 -6.686 2.040 15 2HB GLU 2 2HB GLU 2 -18.827 -8.412 1.964 16 1HG GLU 2 1HG GLU 2 -20.281 -8.904 3.775 17 2HG GLU 2 2HG GLU 2 -20.365 -7.215 4.272 18 H ILE 3 H ILE 3 -16.391 -7.723 5.641 19 HA ILE 3 HA ILE 3 -16.826 -10.691 5.696 20 HB ILE 3 HB ILE 3 -14.605 -8.979 6.865 21 1HG1 ILE 3 1HG1 ILE 3 -13.551 -10.530 4.822 22 2HG1 ILE 3 2HG1 ILE 3 -15.104 -10.012 4.167 23 1HG2 ILE 3 1HG2 ILE 3 -15.205 -11.909 6.786 24 2HG2 ILE 3 2HG2 ILE 3 -13.522 -11.402 6.658 25 3HG2 ILE 3 3HG2 ILE 3 -14.473 -10.951 8.073 26 1HD1 ILE 3 1HD1 ILE 3 -14.440 -7.652 5.008 27 2HD1 ILE 3 2HD1 ILE 3 -12.806 -8.306 5.125 28 3HD1 ILE 3 3HD1 ILE 3 -13.630 -8.264 3.565 29 H ASP 4 H ASP 4 -16.649 -11.564 8.060 30 HA ASP 4 HA ASP 4 -17.272 -9.842 10.287 31 1HB ASP 4 1HB ASP 4 -19.323 -10.074 8.483 32 2HB ASP 4 2HB ASP 4 -19.711 -11.362 9.622 33 H GLU 5 H GLU 5 -17.478 -13.068 8.847 34 HA GLU 5 HA GLU 5 -17.865 -14.430 11.401 35 1HB GLU 5 2HB GLU 5 -17.618 -16.420 9.976 36 2HB GLU 5 1HB GLU 5 -16.980 -15.424 8.668 37 1HG GLU 5 2HG GLU 5 -19.542 -14.444 9.705 38 2HG GLU 5 1HG GLU 5 -19.650 -16.074 9.039 39 H GLY 6 H GLY 6 -15.759 -16.498 10.521 40 1HA GLY 6 1HA GLY 6 -13.531 -15.221 11.977 41 2HA GLY 6 2HA GLY 6 -13.670 -16.936 11.605 42 H LYS 7 H LYS 7 -14.094 -14.337 9.231 43 HA LYS 7 HA LYS 7 -12.055 -15.575 7.517 44 1HB LYS 7 1HB LYS 7 -14.206 -13.562 7.376 45 2HB LYS 7 2HB LYS 7 -12.813 -13.193 6.359 46 1HG LYS 7 1HG LYS 7 -12.963 -15.349 5.266 47 2HG LYS 7 2HG LYS 7 -14.214 -15.881 6.388 48 1HD LYS 7 1HD LYS 7 -15.821 -14.404 5.475 49 2HD LYS 7 2HD LYS 7 -14.593 -13.430 4.667 50 1HE LYS 7 1HE LYS 7 -14.084 -15.801 3.483 51 2HE LYS 7 2HE LYS 7 -15.812 -16.017 3.823 52 1HZ LYS 7 1HZ LYS 7 -14.610 -13.614 2.543 53 2HZ LYS 7 2HZ LYS 7 -15.415 -14.852 1.703 54 3HZ LYS 7 3HZ LYS 7 -16.265 -13.888 2.809 55 H TYR 8 H TYR 8 -9.904 -15.045 7.672 56 HA TYR 8 HA TYR 8 -9.187 -12.455 8.997 57 1HB TYR 8 1HB TYR 8 -7.979 -15.194 8.778 58 2HB TYR 8 2HB TYR 8 -6.907 -13.820 9.051 59 HD1 TYR 8 HD1 TYR 8 -10.126 -15.260 10.308 60 HD2 TYR 8 HD2 TYR 8 -6.538 -13.095 11.244 61 HE1 TYR 8 HE1 TYR 8 -10.763 -15.256 12.703 62 HE2 TYR 8 HE2 TYR 8 -7.180 -13.079 13.642 63 HH TYR 8 HH TYR 8 -10.220 -13.733 14.740 64 H GLU 9 H GLU 9 -7.547 -11.139 8.022 65 HA GLU 9 HA GLU 9 -7.032 -11.728 5.125 66 1HB GLU 9 1HB GLU 9 -8.592 -9.860 5.543 67 2HB GLU 9 2HB GLU 9 -7.398 -9.092 6.589 68 1HG GLU 9 1HG GLU 9 -6.124 -9.716 4.107 69 2HG GLU 9 2HG GLU 9 -7.641 -8.891 3.748 70 H CYS 10 H CYS 10 -4.872 -12.071 4.734 71 HA CYS 10 HA CYS 10 -2.823 -11.754 6.709 72 1HB CYS 10 1HB CYS 10 -2.994 -13.185 4.533 73 2HB CYS 10 2HB CYS 10 -2.377 -11.748 3.739 74 H GLU 11 H GLU 11 -2.254 -9.733 7.464 75 HA GLU 11 HA GLU 11 -2.500 -7.297 5.936 76 1HB GLU 11 1HB GLU 11 -1.725 -8.219 8.558 77 2HB GLU 11 2HB GLU 11 -0.540 -7.052 7.975 78 1HG GLU 11 1HG GLU 11 -3.544 -6.633 8.075 79 2HG GLU 11 2HG GLU 11 -2.366 -5.907 9.168 80 H ALA 12 H ALA 12 -0.229 -9.867 5.850 81 HA ALA 12 HA ALA 12 2.077 -8.260 5.022 82 1HB ALA 12 1HB ALA 12 1.424 -10.960 5.863 83 2HB ALA 12 2HB ALA 12 2.481 -10.977 4.451 84 3HB ALA 12 3HB ALA 12 2.976 -10.125 5.914 85 H CYS 13 H CYS 13 -0.294 -10.438 3.387 86 HA CYS 13 HA CYS 13 0.812 -9.367 0.816 87 1HB CYS 13 2HB CYS 13 1.353 -11.778 1.491 88 2HB CYS 13 1HB CYS 13 0.682 -11.547 -0.118 89 H GLY 14 H GLY 14 -2.094 -10.281 2.602 90 1HA GLY 14 1HA GLY 14 -4.125 -8.939 2.177 91 2HA GLY 14 2HA GLY 14 -3.669 -8.888 0.476 92 H TYR 15 H TYR 15 -3.249 -11.915 2.077 93 HA TYR 15 HA TYR 15 -5.235 -13.177 0.341 94 1HB TYR 15 1HB TYR 15 -3.123 -14.271 0.841 95 2HB TYR 15 2HB TYR 15 -3.416 -14.140 2.574 96 HD1 TYR 15 HD1 TYR 15 -5.095 -15.544 3.682 97 HD2 TYR 15 HD2 TYR 15 -4.284 -15.928 -0.519 98 HE1 TYR 15 HE1 TYR 15 -6.300 -17.711 3.648 99 HE2 TYR 15 HE2 TYR 15 -5.489 -18.097 -0.552 100 HH TYR 15 HH TYR 15 -7.482 -19.116 1.077 101 H ILE 16 H ILE 16 -6.919 -14.671 1.367 102 HA ILE 16 HA ILE 16 -7.968 -13.505 3.922 103 HB ILE 16 HB ILE 16 -9.396 -14.226 1.349 104 1HG1 ILE 16 1HG1 ILE 16 -8.221 -12.053 1.393 105 2HG1 ILE 16 2HG1 ILE 16 -9.970 -11.835 1.344 106 1HG2 ILE 16 1HG2 ILE 16 -10.504 -13.377 4.042 107 2HG2 ILE 16 2HG2 ILE 16 -11.443 -13.406 2.550 108 3HG2 ILE 16 3HG2 ILE 16 -10.801 -14.908 3.216 109 1HD1 ILE 16 1HD1 ILE 16 -9.469 -11.957 4.055 110 2HD1 ILE 16 2HD1 ILE 16 -8.042 -11.117 3.450 111 3HD1 ILE 16 3HD1 ILE 16 -9.650 -10.466 3.131 112 H TYR 17 H TYR 17 -7.905 -15.114 5.416 113 HA TYR 17 HA TYR 17 -7.941 -17.947 4.650 114 1HB TYR 17 1HB TYR 17 -6.499 -17.216 6.444 115 2HB TYR 17 2HB TYR 17 -7.839 -16.420 7.270 116 HD1 TYR 17 HD1 TYR 17 -6.570 -19.760 6.172 117 HD2 TYR 17 HD2 TYR 17 -9.225 -17.617 8.786 118 HE1 TYR 17 HE1 TYR 17 -7.093 -21.868 7.376 119 HE2 TYR 17 HE2 TYR 17 -9.748 -19.725 9.979 120 HH TYR 17 HH TYR 17 -9.074 -21.876 10.295 121 H GLU 18 H GLU 18 -9.686 -19.305 4.779 122 HA GLU 18 HA GLU 18 -12.261 -18.174 5.819 123 1HB GLU 18 1HB GLU 18 -11.661 -20.218 3.653 124 2HB GLU 18 2HB GLU 18 -13.281 -19.715 4.139 125 1HG GLU 18 1HG GLU 18 -13.112 -17.698 3.075 126 2HG GLU 18 2HG GLU 18 -11.406 -17.513 3.484 127 HA PRO 19 HA PRO 19 -11.424 -21.532 8.730 128 1HB PRO 19 1HB PRO 19 -13.431 -20.863 10.479 129 2HB PRO 19 2HB PRO 19 -11.839 -20.097 10.467 130 1HG PRO 19 1HG PRO 19 -14.412 -19.113 9.350 131 2HG PRO 19 2HG PRO 19 -13.122 -18.224 10.165 132 1HD PRO 19 1HD PRO 19 -13.468 -18.232 7.458 133 2HD PRO 19 2HD PRO 19 -11.898 -17.984 8.249 134 H GLU 20 H GLU 20 -14.887 -20.749 8.610 135 HA GLU 20 HA GLU 20 -15.987 -23.279 8.781 136 1HB GLU 20 1HB GLU 20 -17.005 -20.893 8.522 137 2HB GLU 20 2HB GLU 20 -17.020 -21.262 6.798 138 1HG GLU 20 1HG GLU 20 -18.484 -23.107 7.094 139 2HG GLU 20 2HG GLU 20 -18.198 -23.156 8.834 140 H LYS 21 H LYS 21 -14.351 -21.897 5.992 141 HA LYS 21 HA LYS 21 -15.152 -24.213 4.299 142 1HB LYS 21 1HB LYS 21 -14.839 -21.490 3.865 143 2HB LYS 21 2HB LYS 21 -13.360 -22.169 3.187 144 1HG LYS 21 1HG LYS 21 -15.889 -23.594 2.535 145 2HG LYS 21 2HG LYS 21 -15.666 -22.012 1.789 146 1HD LYS 21 1HD LYS 21 -13.796 -22.690 0.588 147 2HD LYS 21 2HD LYS 21 -13.382 -23.952 1.749 148 1HE LYS 21 1HE LYS 21 -14.508 -25.479 0.510 149 2HE LYS 21 2HE LYS 21 -15.986 -24.504 0.616 150 1HZ LYS 21 1HZ LYS 21 -14.845 -23.008 -1.083 151 2HZ LYS 21 2HZ LYS 21 -13.779 -24.303 -1.352 152 3HZ LYS 21 3HZ LYS 21 -15.436 -24.495 -1.652 153 H GLY 22 H GLY 22 -12.453 -22.923 6.100 154 1HA GLY 22 1HA GLY 22 -10.438 -24.035 6.647 155 2HA GLY 22 2HA GLY 22 -10.923 -25.360 5.589 156 H ASP 23 H ASP 23 -8.339 -23.859 5.773 157 HA ASP 23 HA ASP 23 -8.157 -22.353 3.257 158 1HB ASP 23 1HB ASP 23 -6.932 -21.890 5.452 159 2HB ASP 23 2HB ASP 23 -5.951 -23.312 5.100 160 H LYS 24 H LYS 24 -9.043 -24.619 2.335 161 HA LYS 24 HA LYS 24 -7.600 -26.949 1.991 162 1HB LYS 24 1HB LYS 24 -9.767 -25.731 0.854 163 2HB LYS 24 2HB LYS 24 -8.647 -25.762 -0.506 164 1HG LYS 24 1HG LYS 24 -8.369 -28.289 0.628 165 2HG LYS 24 2HG LYS 24 -10.100 -27.967 0.750 166 1HD LYS 24 1HD LYS 24 -8.991 -27.140 -1.828 167 2HD LYS 24 2HD LYS 24 -8.770 -28.862 -1.523 168 1HE LYS 24 1HE LYS 24 -11.438 -27.976 -0.732 169 2HE LYS 24 2HE LYS 24 -11.118 -27.664 -2.448 170 1HZ LYS 24 1HZ LYS 24 -10.335 -30.217 -1.173 171 2HZ LYS 24 2HZ LYS 24 -11.904 -30.000 -1.789 172 3HZ LYS 24 3HZ LYS 24 -10.564 -29.884 -2.822 173 H PHE 25 H PHE 25 -6.827 -23.795 0.643 174 HA PHE 25 HA PHE 25 -4.910 -24.632 -1.327 175 1HB PHE 25 1HB PHE 25 -5.962 -22.231 -0.124 176 2HB PHE 25 2HB PHE 25 -4.207 -22.106 -0.232 177 HD1 PHE 25 HD1 PHE 25 -3.091 -22.619 -2.480 178 HD2 PHE 25 HD2 PHE 25 -7.318 -21.998 -2.044 179 HE1 PHE 25 HE1 PHE 25 -3.278 -22.179 -4.914 180 HE2 PHE 25 HE2 PHE 25 -7.506 -21.559 -4.477 181 HZ PHE 25 HZ PHE 25 -5.486 -21.649 -5.912 182 H ALA 26 H ALA 26 -4.700 -24.041 2.154 183 HA ALA 26 HA ALA 26 -1.755 -24.479 2.102 184 1HB ALA 26 3HB ALA 26 -2.480 -22.589 3.375 185 2HB ALA 26 1HB ALA 26 -3.771 -23.513 4.141 186 3HB ALA 26 2HB ALA 26 -2.089 -23.832 4.563 187 H GLY 27 H GLY 27 -4.760 -25.997 3.114 188 1HA GLY 27 1HA GLY 27 -4.606 -28.523 3.181 189 2HA GLY 27 2HA GLY 27 -3.158 -28.299 4.160 190 H ILE 28 H ILE 28 -5.913 -26.185 4.642 191 HA ILE 28 HA ILE 28 -6.366 -27.526 7.280 192 HB ILE 28 HB ILE 28 -6.675 -24.686 6.272 193 1HG1 ILE 28 1HG1 ILE 28 -5.134 -25.392 8.709 194 2HG1 ILE 28 2HG1 ILE 28 -4.459 -25.947 7.177 195 1HG2 ILE 28 1HG2 ILE 28 -7.892 -26.055 8.598 196 2HG2 ILE 28 2HG2 ILE 28 -7.089 -24.528 8.964 197 3HG2 ILE 28 3HG2 ILE 28 -8.391 -24.577 7.775 198 1HD1 ILE 28 1HD1 ILE 28 -5.434 -23.118 7.406 199 2HD1 ILE 28 2HD1 ILE 28 -3.862 -23.544 8.082 200 3HD1 ILE 28 3HD1 ILE 28 -4.177 -23.784 6.364 201 HA PRO 29 HA PRO 29 -10.306 -28.562 5.407 202 1HB PRO 29 1HB PRO 29 -11.394 -29.785 7.603 203 2HB PRO 29 2HB PRO 29 -10.210 -30.573 6.542 204 1HG PRO 29 1HG PRO 29 -9.810 -29.253 9.187 205 2HG PRO 29 2HG PRO 29 -9.091 -30.740 8.551 206 1HD PRO 29 1HD PRO 29 -7.778 -28.356 8.620 207 2HD PRO 29 2HD PRO 29 -7.459 -29.607 7.402 208 HA PRO 30 HA PRO 30 -13.047 -25.435 6.860 209 1HB PRO 30 1HB PRO 30 -15.510 -26.612 6.737 210 2HB PRO 30 2HB PRO 30 -14.600 -26.129 5.292 211 1HG PRO 30 1HG PRO 30 -14.895 -28.814 6.548 212 2HG PRO 30 2HG PRO 30 -14.897 -28.368 4.834 213 1HD PRO 30 1HD PRO 30 -12.736 -29.448 6.098 214 2HD PRO 30 2HD PRO 30 -12.600 -28.343 4.713 215 H GLY 31 H GLY 31 -15.364 -25.567 8.360 216 1HA GLY 31 1HA GLY 31 -16.006 -25.558 10.626 217 2HA GLY 31 2HA GLY 31 -15.514 -27.251 10.583 218 H THR 32 H THR 32 -13.270 -24.589 10.024 219 HA THR 32 HA THR 32 -12.096 -25.051 12.739 220 HB THR 32 HB THR 32 -10.639 -24.986 10.079 221 HG1 THR 32 HG1 THR 32 -10.553 -27.130 10.252 222 1HG2 THR 32 1HG2 THR 32 -9.770 -24.646 12.818 223 2HG2 THR 32 2HG2 THR 32 -9.050 -26.097 12.120 224 3HG2 THR 32 3HG2 THR 32 -8.826 -24.535 11.331 225 HA PRO 33 HA PRO 33 -12.266 -20.564 12.289 226 1HB PRO 33 1HB PRO 33 -11.568 -19.992 14.873 227 2HB PRO 33 2HB PRO 33 -13.209 -20.465 14.398 228 1HG PRO 33 1HG PRO 33 -11.044 -22.096 15.635 229 2HG PRO 33 2HG PRO 33 -12.783 -22.106 15.957 230 1HD PRO 33 1HD PRO 33 -11.522 -23.977 14.423 231 2HD PRO 33 2HD PRO 33 -13.224 -23.518 14.204 232 H PHE 34 H PHE 34 -10.604 -18.987 12.036 233 HA PHE 34 HA PHE 34 -7.989 -19.781 11.408 234 1HB PHE 34 1HB PHE 34 -8.804 -17.656 10.706 235 2HB PHE 34 2HB PHE 34 -9.239 -17.189 12.341 236 HD1 PHE 34 HD1 PHE 34 -7.392 -16.739 14.036 237 HD2 PHE 34 HD2 PHE 34 -6.630 -17.251 9.833 238 HE1 PHE 34 HE1 PHE 34 -5.166 -15.679 14.305 239 HE2 PHE 34 HE2 PHE 34 -4.406 -16.198 10.110 240 HZ PHE 34 HZ PHE 34 -3.673 -15.408 12.343 241 H VAL 35 H VAL 35 -9.304 -18.759 14.531 242 HA VAL 35 HA VAL 35 -6.833 -18.542 15.937 243 HB VAL 35 HB VAL 35 -9.331 -17.871 16.442 244 1HG1 VAL 35 1HG1 VAL 35 -9.116 -20.567 17.816 245 2HG1 VAL 35 2HG1 VAL 35 -10.370 -19.368 18.135 246 3HG1 VAL 35 3HG1 VAL 35 -10.262 -20.131 16.548 247 1HG2 VAL 35 1HG2 VAL 35 -7.381 -18.800 18.562 248 2HG2 VAL 35 2HG2 VAL 35 -7.417 -17.213 17.790 249 3HG2 VAL 35 3HG2 VAL 35 -8.739 -17.710 18.847 250 H ASP 36 H ASP 36 -8.426 -21.330 14.714 251 HA ASP 36 HA ASP 36 -7.115 -23.138 16.683 252 1HB ASP 36 1HB ASP 36 -9.397 -23.186 14.811 253 2HB ASP 36 2HB ASP 36 -8.489 -24.695 14.889 254 H LEU 37 H LEU 37 -6.259 -21.648 13.813 255 HA LEU 37 HA LEU 37 -5.195 -23.678 12.162 256 1HB LEU 37 1HB LEU 37 -4.413 -20.837 12.825 257 2HB LEU 37 2HB LEU 37 -3.533 -21.765 11.610 258 HG LEU 37 HG LEU 37 -6.524 -21.237 11.597 259 1HD1 LEU 37 1HD1 LEU 37 -4.875 -19.312 11.075 260 2HD1 LEU 37 2HD1 LEU 37 -4.480 -20.227 9.620 261 3HD1 LEU 37 3HD1 LEU 37 -6.127 -19.656 9.882 262 1HD2 LEU 37 1HD2 LEU 37 -4.795 -23.121 10.177 263 2HD2 LEU 37 2HD2 LEU 37 -6.555 -23.063 10.262 264 3HD2 LEU 37 3HD2 LEU 37 -5.696 -22.077 9.077 265 H SER 38 H SER 38 -2.860 -24.298 11.957 266 HA SER 38 HA SER 38 -1.781 -25.498 14.263 267 1HB SER 38 1HB SER 38 -0.590 -24.526 11.657 268 2HB SER 38 2HB SER 38 0.349 -25.456 12.825 269 HG SER 38 HG SER 38 -2.045 -26.228 11.523 270 H ASP 39 H ASP 39 0.389 -24.905 15.280 271 HA ASP 39 HA ASP 39 0.272 -22.309 16.502 272 1HB ASP 39 1HB ASP 39 1.880 -24.753 16.549 273 2HB ASP 39 2HB ASP 39 2.853 -23.310 16.829 274 H SER 40 H SER 40 2.136 -23.604 13.770 275 HA SER 40 HA SER 40 3.151 -20.827 13.256 276 1HB SER 40 1HB SER 40 4.793 -22.607 14.061 277 2HB SER 40 2HB SER 40 4.498 -23.443 12.537 278 HG SER 40 HG SER 40 5.241 -20.722 12.640 279 H PHE 41 H PHE 41 0.717 -21.481 12.154 280 HA PHE 41 HA PHE 41 0.803 -22.826 9.620 281 1HB PHE 41 1HB PHE 41 -1.304 -22.511 10.627 282 2HB PHE 41 2HB PHE 41 -0.981 -20.834 11.016 283 HD1 PHE 41 HD1 PHE 41 -1.666 -23.172 8.196 284 HD2 PHE 41 HD2 PHE 41 -1.567 -19.084 9.513 285 HE1 PHE 41 HE1 PHE 41 -2.789 -22.467 6.101 286 HE2 PHE 41 HE2 PHE 41 -2.697 -18.383 7.420 287 HZ PHE 41 HZ PHE 41 -3.308 -20.075 5.714 288 H MET 42 H MET 42 1.718 -22.133 7.725 289 HA MET 42 HA MET 42 2.658 -19.311 7.540 290 1HB MET 42 1HB MET 42 3.186 -21.654 5.685 291 2HB MET 42 2HB MET 42 4.120 -20.168 5.821 292 1HG MET 42 1HG MET 42 4.667 -20.797 8.191 293 2HG MET 42 2HG MET 42 3.869 -22.346 7.915 294 1HE MET 42 1HE MET 42 5.259 -23.727 8.399 295 2HE MET 42 2HE MET 42 5.760 -24.561 6.930 296 3HE MET 42 3HE MET 42 6.973 -23.878 8.022 297 H CYS 43 H CYS 43 1.949 -17.956 5.840 298 HA CYS 43 HA CYS 43 -0.694 -18.315 4.822 299 1HB CYS 43 1HB CYS 43 0.651 -16.195 5.172 300 2HB CYS 43 2HB CYS 43 1.538 -16.604 3.705 301 HA PRO 44 HA PRO 44 0.305 -20.969 1.388 302 1HB PRO 44 1HB PRO 44 -2.119 -20.875 0.128 303 2HB PRO 44 2HB PRO 44 -1.829 -21.833 1.591 304 1HG PRO 44 1HG PRO 44 -3.177 -19.203 1.277 305 2HG PRO 44 2HG PRO 44 -3.545 -20.535 2.380 306 1HD PRO 44 1HD PRO 44 -2.203 -18.231 3.087 307 2HD PRO 44 2HD PRO 44 -2.098 -19.771 3.964 308 H ALA 45 H ALA 45 -0.261 -17.640 1.270 309 HA ALA 45 HA ALA 45 0.154 -17.548 -1.692 310 1HB ALA 45 3HB ALA 45 -1.726 -16.285 -1.480 311 2HB ALA 45 2HB ALA 45 -0.639 -15.038 -0.872 312 3HB ALA 45 1HB ALA 45 -1.493 -16.087 0.257 313 H CYS 46 H CYS 46 1.201 -16.163 1.420 314 HA CYS 46 HA CYS 46 3.637 -15.179 -0.010 315 1HB CYS 46 2HB CYS 46 1.780 -13.538 0.825 316 2HB CYS 46 1HB CYS 46 3.468 -13.130 1.098 317 H ARG 47 H ARG 47 2.705 -17.533 2.008 318 HA ARG 47 HA ARG 47 3.835 -18.903 3.554 319 1HB ARG 47 1HB ARG 47 5.516 -18.158 1.562 320 2HB ARG 47 2HB ARG 47 6.408 -17.555 2.959 321 1HG ARG 47 1HG ARG 47 6.262 -19.780 4.016 322 2HG ARG 47 2HG ARG 47 5.362 -20.385 2.625 323 1HD ARG 47 1HD ARG 47 7.995 -19.062 2.091 324 2HD ARG 47 2HD ARG 47 8.013 -20.696 2.780 325 HE ARG 47 HE ARG 47 6.353 -20.074 0.365 326 1HH1 ARG 47 1HH1 ARG 47 9.305 -21.343 1.429 327 2HH1 ARG 47 2HH1 ARG 47 9.206 -22.797 0.494 328 1HH2 ARG 47 1HH2 ARG 47 5.965 -22.196 -0.584 329 2HH2 ARG 47 2HH2 ARG 47 7.316 -23.280 -0.646 330 H SER 48 H SER 48 3.176 -15.876 4.339 331 HA SER 48 HA SER 48 5.178 -15.268 6.368 332 1HB SER 48 1HB SER 48 2.414 -14.286 5.657 333 2HB SER 48 2HB SER 48 3.250 -13.684 7.084 334 HG SER 48 HG SER 48 4.037 -12.344 5.651 335 HA PRO 49 HA PRO 49 3.627 -17.702 9.681 336 1HB PRO 49 1HB PRO 49 3.930 -16.043 11.836 337 2HB PRO 49 2HB PRO 49 5.294 -16.831 11.020 338 1HG PRO 49 1HG PRO 49 4.289 -14.036 10.777 339 2HG PRO 49 2HG PRO 49 5.953 -14.638 10.801 340 1HD PRO 49 1HD PRO 49 4.634 -13.910 8.519 341 2HD PRO 49 2HD PRO 49 5.944 -15.109 8.559 342 H LYS 50 H LYS 50 1.646 -18.122 10.669 343 HA LYS 50 HA LYS 50 -0.715 -16.808 9.987 344 1HB LYS 50 1HB LYS 50 -0.411 -19.054 11.057 345 2HB LYS 50 2HB LYS 50 -0.075 -18.243 12.585 346 1HG LYS 50 1HG LYS 50 -2.342 -17.073 12.272 347 2HG LYS 50 2HG LYS 50 -2.658 -18.274 11.019 348 1HD LYS 50 1HD LYS 50 -2.666 -20.048 12.539 349 2HD LYS 50 2HD LYS 50 -1.691 -19.173 13.720 350 1HE LYS 50 1HE LYS 50 -4.454 -18.191 13.001 351 2HE LYS 50 2HE LYS 50 -4.230 -19.453 14.226 352 1HZ LYS 50 1HZ LYS 50 -2.421 -17.912 15.132 353 2HZ LYS 50 2HZ LYS 50 -3.148 -16.696 14.194 354 3HZ LYS 50 3HZ LYS 50 -4.035 -17.465 15.419 355 H ASN 51 H ASN 51 1.549 -15.956 12.546 356 HA ASN 51 HA ASN 51 -0.161 -14.256 14.078 357 1HB ASN 51 1HB ASN 51 2.748 -14.691 13.626 358 2HB ASN 51 2HB ASN 51 2.298 -13.145 14.348 359 2HD2 ASN 51 2HD2 ASN 51 2.171 -16.672 14.829 360 1HD2 ASN 51 1HD2 ASN 51 1.803 -16.603 16.485 361 H GLN 52 H GLN 52 1.096 -13.895 10.890 362 HA GLN 52 HA GLN 52 0.984 -10.952 10.905 363 1HB GLN 52 1HB GLN 52 2.156 -13.054 9.381 364 2HB GLN 52 2HB GLN 52 1.097 -12.154 8.295 365 1HG GLN 52 1HG GLN 52 3.251 -10.956 10.065 366 2HG GLN 52 2HG GLN 52 3.351 -11.164 8.317 367 2HE2 GLN 52 2HE2 GLN 52 0.700 -10.368 7.599 368 1HE2 GLN 52 1HE2 GLN 52 0.509 -8.722 7.968 369 H PHE 53 H PHE 53 -1.348 -13.382 10.797 370 HA PHE 53 HA PHE 53 -3.049 -12.161 8.722 371 1HB PHE 53 1HB PHE 53 -3.283 -14.427 10.704 372 2HB PHE 53 2HB PHE 53 -4.648 -13.931 9.708 373 HD1 PHE 53 HD1 PHE 53 -0.992 -14.725 9.354 374 HD2 PHE 53 HD2 PHE 53 -4.920 -14.932 7.627 375 HE1 PHE 53 HE1 PHE 53 -0.085 -16.021 7.443 376 HE2 PHE 53 HE2 PHE 53 -4.013 -16.227 5.717 377 HZ PHE 53 HZ PHE 53 -1.596 -16.772 5.625 378 H LYS 54 H LYS 54 -4.649 -10.672 9.109 379 HA LYS 54 HA LYS 54 -5.267 -10.004 11.970 380 1HB LYS 54 1HB LYS 54 -4.124 -8.479 9.902 381 2HB LYS 54 2HB LYS 54 -5.789 -7.907 10.024 382 1HG LYS 54 1HG LYS 54 -4.164 -8.307 12.521 383 2HG LYS 54 2HG LYS 54 -3.947 -6.842 11.562 384 1HD LYS 54 1HD LYS 54 -6.750 -7.294 11.801 385 2HD LYS 54 2HD LYS 54 -6.051 -7.465 13.412 386 1HE LYS 54 1HE LYS 54 -5.054 -5.268 13.298 387 2HE LYS 54 2HE LYS 54 -5.460 -5.116 11.578 388 1HZ LYS 54 1HZ LYS 54 -7.811 -5.372 12.179 389 2HZ LYS 54 2HZ LYS 54 -7.390 -5.424 13.824 390 3HZ LYS 54 3HZ LYS 54 -7.128 -4.008 12.929 391 H SER 55 H SER 55 -7.360 -10.556 12.451 392 HA SER 55 HA SER 55 -9.307 -11.493 10.660 393 1HB SER 55 1HB SER 55 -9.656 -11.877 12.944 394 2HB SER 55 2HB SER 55 -9.349 -10.198 13.366 395 HG SER 55 HG SER 55 -11.441 -10.074 13.351 396 H ILE 56 H ILE 56 -11.543 -10.280 10.504 397 HA ILE 56 HA ILE 56 -11.370 -7.377 10.064 398 HB ILE 56 HB ILE 56 -10.289 -8.296 8.063 399 1HG1 ILE 56 1HG1 ILE 56 -12.986 -7.678 6.979 400 2HG1 ILE 56 2HG1 ILE 56 -12.285 -6.474 8.058 401 1HG2 ILE 56 1HG2 ILE 56 -12.226 -10.354 8.421 402 2HG2 ILE 56 2HG2 ILE 56 -12.514 -9.629 6.840 403 3HG2 ILE 56 3HG2 ILE 56 -10.925 -10.287 7.232 404 1HD1 ILE 56 1HD1 ILE 56 -10.787 -7.654 5.705 405 2HD1 ILE 56 2HD1 ILE 56 -11.722 -6.162 5.602 406 3HD1 ILE 56 3HD1 ILE 56 -10.328 -6.256 6.679 407 H LYS 57 H LYS 57 -13.202 -7.354 11.510 408 HA LYS 57 HA LYS 57 -15.654 -8.794 10.622 409 1HB LYS 57 1HB LYS 57 -14.470 -8.464 13.051 410 2HB LYS 57 2HB LYS 57 -15.612 -7.120 13.073 411 1HG LYS 57 1HG LYS 57 -17.328 -8.912 12.225 412 2HG LYS 57 2HG LYS 57 -16.167 -10.071 12.873 413 1HD LYS 57 1HD LYS 57 -16.692 -9.560 15.021 414 2HD LYS 57 2HD LYS 57 -16.722 -7.828 14.691 415 1HE LYS 57 1HE LYS 57 -18.953 -8.857 13.317 416 2HE LYS 57 2HE LYS 57 -18.955 -9.677 14.890 417 1HZ LYS 57 1HZ LYS 57 -18.402 -6.779 14.661 418 2HZ LYS 57 2HZ LYS 57 -19.999 -7.354 14.762 419 3HZ LYS 57 3HZ LYS 57 -18.903 -7.652 16.025 420 H LYS 58 H LYS 58 -15.382 -6.982 8.760 421 HA LYS 58 HA LYS 58 -16.982 -4.595 9.633 422 1HB LYS 58 1HB LYS 58 -14.548 -4.980 7.986 423 2HB LYS 58 2HB LYS 58 -15.719 -3.831 7.337 424 1HG LYS 58 1HG LYS 58 -14.643 -3.767 10.173 425 2HG LYS 58 2HG LYS 58 -14.043 -2.760 8.855 426 1HD LYS 58 1HD LYS 58 -16.816 -2.425 8.770 427 2HD LYS 58 2HD LYS 58 -16.432 -2.426 10.491 428 1HE LYS 58 1HE LYS 58 -14.986 -0.564 10.292 429 2HE LYS 58 2HE LYS 58 -14.807 -0.782 8.540 430 1HZ LYS 58 1HZ LYS 58 -17.446 -0.295 9.794 431 2HZ LYS 58 2HZ LYS 58 -16.443 0.994 9.327 432 3HZ LYS 58 3HZ LYS 58 -17.002 -0.107 8.165 433 H VAL 59 H VAL 59 -18.837 -4.174 8.436 434 HA VAL 59 HA VAL 59 -19.283 -5.765 5.939 435 HB VAL 59 HB VAL 59 -20.320 -6.826 7.949 436 1HG1 VAL 59 1HG1 VAL 59 -20.718 -4.371 8.909 437 2HG1 VAL 59 2HG1 VAL 59 -22.279 -4.571 8.110 438 3HG1 VAL 59 3HG1 VAL 59 -21.776 -5.709 9.359 439 1HG2 VAL 59 1HG2 VAL 59 -22.095 -5.636 5.813 440 2HG2 VAL 59 2HG2 VAL 59 -21.447 -7.273 5.907 441 3HG2 VAL 59 3HG2 VAL 59 -22.719 -6.763 7.016 442 H ILE 60 H ILE 60 -20.780 -4.732 4.451 443 HA ILE 60 HA ILE 60 -21.601 -1.944 5.141 444 HB ILE 60 HB ILE 60 -19.377 -1.890 4.074 445 1HG1 ILE 60 1HG1 ILE 60 -20.506 -0.837 1.755 446 2HG1 ILE 60 2HG1 ILE 60 -21.795 -0.701 2.951 447 1HG2 ILE 60 1HG2 ILE 60 -19.742 -4.089 2.856 448 2HG2 ILE 60 2HG2 ILE 60 -20.707 -3.191 1.684 449 3HG2 ILE 60 3HG2 ILE 60 -18.995 -2.818 1.889 450 1HD1 ILE 60 1HD1 ILE 60 -19.893 0.211 4.506 451 2HD1 ILE 60 2HD1 ILE 60 -19.043 0.510 2.991 452 3HD1 ILE 60 3HD1 ILE 60 -20.598 1.282 3.296 453 H ALA 61 H ALA 61 -23.503 -1.300 4.073 454 HA ALA 61 HA ALA 61 -24.917 -3.441 2.551 455 1HB ALA 61 3HB ALA 61 -26.496 -2.779 4.036 456 2HB ALA 61 1HB ALA 61 -25.573 -1.342 4.473 457 3HB ALA 61 2HB ALA 61 -26.647 -1.309 3.075 458 H GLY 62 H GLY 62 -26.750 -1.798 1.193 459 1HA GLY 62 1HA GLY 62 -25.074 -0.854 -1.023 460 2HA GLY 62 2HA GLY 62 -26.837 -0.929 -1.015 461 H PHE 63 H PHE 63 -26.767 1.275 -1.927 462 HA PHE 63 HA PHE 63 -25.636 3.484 -0.418 463 1HB PHE 63 1HB PHE 63 -27.202 2.973 -2.868 464 2HB PHE 63 2HB PHE 63 -27.521 4.536 -2.117 465 HD1 PHE 63 HD1 PHE 63 -24.793 2.325 -3.375 466 HD2 PHE 63 HD2 PHE 63 -25.952 6.308 -2.263 467 HE1 PHE 63 HE1 PHE 63 -22.663 3.201 -4.291 468 HE2 PHE 63 HE2 PHE 63 -23.822 7.185 -3.179 469 HZ PHE 63 HZ PHE 63 -22.176 5.631 -4.193 470 H ALA 64 H ALA 64 -26.895 5.148 0.684 471 HA ALA 64 HA ALA 64 -29.537 4.166 1.723 472 1HB ALA 64 1HB ALA 64 -27.198 5.571 3.034 473 2HB ALA 64 3HB ALA 64 -27.904 4.012 3.462 474 3HB ALA 64 2HB ALA 64 -28.789 5.501 3.790 475 H GLU 65 H GLU 65 -30.097 5.553 -0.364 476 HA GLU 65 HA GLU 65 -30.077 8.474 0.215 477 1HB GLU 65 1HB GLU 65 -29.337 7.556 -1.979 478 2HB GLU 65 2HB GLU 65 -30.945 6.872 -2.214 479 1HG GLU 65 1HG GLU 65 -31.786 8.860 -2.877 480 2HG GLU 65 2HG GLU 65 -31.067 9.696 -1.501 481 H ASN 66 H ASN 66 -31.780 6.953 1.913 482 HA ASN 66 HA ASN 66 -34.332 8.261 1.419 483 1HB ASN 66 1HB ASN 66 -35.615 6.193 1.041 484 2HB ASN 66 2HB ASN 66 -34.377 6.374 -0.200 485 2HD2 ASN 66 2HD2 ASN 66 -35.676 3.870 1.036 486 1HD2 ASN 66 1HD2 ASN 66 -34.357 2.918 1.523 487 H GLN 67 H GLN 67 -32.335 7.960 3.586 488 HA GLN 67 HA GLN 67 -32.314 7.650 5.928 489 1HB GLN 67 1HB GLN 67 -34.765 8.652 5.103 490 2HB GLN 67 2HB GLN 67 -35.219 7.276 6.109 491 1HG GLN 67 1HG GLN 67 -33.050 8.915 7.241 492 2HG GLN 67 2HG GLN 67 -34.579 9.776 7.069 493 2HE2 GLN 67 2HE2 GLN 67 -34.163 9.530 9.634 494 1HE2 GLN 67 1HE2 GLN 67 -34.925 8.188 10.343 495 H LYS 68 H LYS 68 -32.970 6.030 7.668 496 HA LYS 68 HA LYS 68 -33.406 3.322 6.448 497 1HB LYS 68 1HB LYS 68 -31.524 4.470 8.448 498 2HB LYS 68 2HB LYS 68 -32.123 2.846 8.788 499 1HG LYS 68 1HG LYS 68 -30.870 1.941 7.139 500 2HG LYS 68 2HG LYS 68 -31.367 3.179 5.985 501 1HD LYS 68 1HD LYS 68 -29.713 4.732 6.882 502 2HD LYS 68 2HD LYS 68 -29.268 3.579 8.139 503 1HE LYS 68 1HE LYS 68 -29.134 2.462 5.411 504 2HE LYS 68 2HE LYS 68 -27.986 3.780 5.713 505 1HZ LYS 68 1HZ LYS 68 -28.426 1.639 7.706 506 2HZ LYS 68 2HZ LYS 68 -27.322 1.422 6.437 507 3HZ LYS 68 3HZ LYS 68 -27.097 2.686 7.551 508 H TYR 69 H TYR 69 -34.908 1.964 7.490 509 HA TYR 69 HA TYR 69 -36.503 3.239 9.690 510 1HB TYR 69 1HB TYR 69 -37.163 2.178 7.143 511 2HB TYR 69 2HB TYR 69 -37.809 1.051 8.335 512 HD1 TYR 69 HD1 TYR 69 -37.542 4.748 7.729 513 HD2 TYR 69 HD2 TYR 69 -39.899 1.502 9.268 514 HE1 TYR 69 HE1 TYR 69 -39.396 6.322 8.212 515 HE2 TYR 69 HE2 TYR 69 -41.752 3.077 9.751 516 HH TYR 69 HH TYR 69 -42.018 6.055 8.450 517 H GLY 70 H GLY 70 -36.231 2.241 11.646 518 1HA GLY 70 1HA GLY 70 -36.560 0.125 12.920 519 2HA GLY 70 2HA GLY 70 -35.657 -0.695 11.647 No H/Q in entry = 519 Start of MODEL 19 1 H1 MET 1 1H MET 1 -17.476 -3.190 1.262 2 H2 MET 1 2H MET 1 -16.954 -2.139 2.490 3 H3 MET 1 3H MET 1 -15.898 -2.569 1.232 4 HA MET 1 HA MET 1 -15.722 -4.800 2.004 5 1HB MET 1 1HB MET 1 -15.428 -2.473 3.856 6 2HB MET 1 2HB MET 1 -15.154 -4.083 4.524 7 1HG MET 1 1HG MET 1 -13.563 -4.525 2.628 8 2HG MET 1 2HG MET 1 -13.753 -2.841 2.138 9 1HE MET 1 1HE MET 1 -13.429 -0.850 3.761 10 2HE MET 1 2HE MET 1 -11.799 -0.760 4.423 11 3HE MET 1 3HE MET 1 -12.045 -1.198 2.726 12 H GLU 2 H GLU 2 -16.466 -6.472 3.472 13 HA GLU 2 HA GLU 2 -18.641 -6.065 5.338 14 1HB GLU 2 1HB GLU 2 -20.392 -7.148 3.937 15 2HB GLU 2 2HB GLU 2 -19.818 -5.645 3.215 16 1HG GLU 2 1HG GLU 2 -18.121 -7.769 2.319 17 2HG GLU 2 2HG GLU 2 -19.797 -8.262 2.074 18 H ILE 3 H ILE 3 -16.828 -7.411 6.337 19 HA ILE 3 HA ILE 3 -17.335 -10.318 5.813 20 HB ILE 3 HB ILE 3 -14.658 -8.997 6.366 21 1HG1 ILE 3 1HG1 ILE 3 -15.689 -10.175 3.770 22 2HG1 ILE 3 2HG1 ILE 3 -15.659 -8.446 4.119 23 1HG2 ILE 3 1HG2 ILE 3 -15.531 -11.825 5.750 24 2HG2 ILE 3 2HG2 ILE 3 -13.863 -11.290 5.547 25 3HG2 ILE 3 3HG2 ILE 3 -14.614 -11.253 7.143 26 1HD1 ILE 3 1HD1 ILE 3 -13.222 -10.251 4.190 27 2HD1 ILE 3 2HD1 ILE 3 -13.657 -9.216 2.828 28 3HD1 ILE 3 3HD1 ILE 3 -13.238 -8.497 4.384 29 H ASP 4 H ASP 4 -16.518 -11.642 7.743 30 HA ASP 4 HA ASP 4 -15.906 -10.620 10.304 31 1HB ASP 4 1HB ASP 4 -17.925 -9.342 10.291 32 2HB ASP 4 2HB ASP 4 -18.853 -10.670 9.604 33 H GLU 5 H GLU 5 -17.398 -13.107 8.354 34 HA GLU 5 HA GLU 5 -17.791 -15.091 10.391 35 1HB GLU 5 1HB GLU 5 -17.835 -14.801 7.483 36 2HB GLU 5 2HB GLU 5 -17.254 -16.389 7.984 37 1HG GLU 5 1HG GLU 5 -19.282 -16.416 9.586 38 2HG GLU 5 2HG GLU 5 -19.897 -15.074 8.621 39 H GLY 6 H GLY 6 -15.509 -14.369 11.374 40 1HA GLY 6 1HA GLY 6 -13.283 -14.946 11.837 41 2HA GLY 6 2HA GLY 6 -13.765 -16.559 11.322 42 H LYS 7 H LYS 7 -14.011 -13.946 9.022 43 HA LYS 7 HA LYS 7 -12.044 -15.276 7.288 44 1HB LYS 7 1HB LYS 7 -14.202 -13.309 7.129 45 2HB LYS 7 2HB LYS 7 -12.801 -12.826 6.171 46 1HG LYS 7 1HG LYS 7 -12.802 -15.215 5.245 47 2HG LYS 7 2HG LYS 7 -14.397 -15.389 5.976 48 1HD LYS 7 1HD LYS 7 -15.391 -14.021 4.440 49 2HD LYS 7 2HD LYS 7 -14.000 -12.940 4.353 50 1HE LYS 7 1HE LYS 7 -12.846 -15.014 3.174 51 2HE LYS 7 2HE LYS 7 -14.523 -15.481 2.834 52 1HZ LYS 7 1HZ LYS 7 -13.580 -12.709 2.408 53 2HZ LYS 7 2HZ LYS 7 -13.374 -13.890 1.204 54 3HZ LYS 7 3HZ LYS 7 -14.934 -13.479 1.737 55 H TYR 8 H TYR 8 -9.879 -14.818 7.449 56 HA TYR 8 HA TYR 8 -9.086 -12.200 8.677 57 1HB TYR 8 1HB TYR 8 -7.939 -14.980 8.556 58 2HB TYR 8 2HB TYR 8 -6.868 -13.614 8.863 59 HD1 TYR 8 HD1 TYR 8 -10.347 -14.536 9.949 60 HD2 TYR 8 HD2 TYR 8 -6.384 -13.362 11.128 61 HE1 TYR 8 HE1 TYR 8 -11.063 -14.522 12.322 62 HE2 TYR 8 HE2 TYR 8 -7.100 -13.354 13.504 63 HH TYR 8 HH TYR 8 -9.803 -13.043 14.611 64 H GLU 9 H GLU 9 -7.441 -10.964 7.655 65 HA GLU 9 HA GLU 9 -6.836 -11.711 4.814 66 1HB GLU 9 1HB GLU 9 -8.367 -9.817 5.008 67 2HB GLU 9 2HB GLU 9 -7.293 -9.028 6.163 68 1HG GLU 9 1HG GLU 9 -5.776 -8.406 4.538 69 2HG GLU 9 2HG GLU 9 -6.145 -9.793 3.514 70 H CYS 10 H CYS 10 -4.653 -11.831 4.335 71 HA CYS 10 HA CYS 10 -2.672 -11.574 6.434 72 1HB CYS 10 1HB CYS 10 -2.804 -13.062 4.292 73 2HB CYS 10 2HB CYS 10 -2.130 -11.659 3.484 74 H GLU 11 H GLU 11 -1.993 -9.574 7.132 75 HA GLU 11 HA GLU 11 -2.206 -7.167 5.525 76 1HB GLU 11 1HB GLU 11 -1.562 -8.005 8.198 77 2HB GLU 11 2HB GLU 11 -0.300 -6.911 7.630 78 1HG GLU 11 1HG GLU 11 -2.021 -5.263 6.980 79 2HG GLU 11 2HG GLU 11 -3.284 -6.356 7.549 80 H ALA 12 H ALA 12 0.015 -9.768 5.581 81 HA ALA 12 HA ALA 12 2.377 -8.224 4.792 82 1HB ALA 12 1HB ALA 12 1.620 -10.951 5.568 83 2HB ALA 12 2HB ALA 12 2.864 -10.899 4.320 84 3HB ALA 12 3HB ALA 12 3.124 -10.078 5.859 85 H CYS 13 H CYS 13 0.036 -10.418 3.131 86 HA CYS 13 HA CYS 13 1.260 -9.454 0.570 87 1HB CYS 13 2HB CYS 13 1.681 -11.854 1.343 88 2HB CYS 13 1HB CYS 13 1.066 -11.661 -0.293 89 H GLY 14 H GLY 14 -1.750 -10.327 2.221 90 1HA GLY 14 1HA GLY 14 -3.714 -8.886 1.707 91 2HA GLY 14 2HA GLY 14 -3.203 -8.914 0.021 92 H TYR 15 H TYR 15 -2.956 -11.857 1.823 93 HA TYR 15 HA TYR 15 -4.934 -13.141 0.063 94 1HB TYR 15 1HB TYR 15 -2.830 -14.247 0.555 95 2HB TYR 15 2HB TYR 15 -3.095 -14.077 2.290 96 HD1 TYR 15 HD1 TYR 15 -4.743 -15.463 3.459 97 HD2 TYR 15 HD2 TYR 15 -4.046 -15.911 -0.755 98 HE1 TYR 15 HE1 TYR 15 -5.959 -17.623 3.490 99 HE2 TYR 15 HE2 TYR 15 -5.263 -18.073 -0.725 100 HH TYR 15 HH TYR 15 -5.892 -19.789 1.983 101 H ILE 16 H ILE 16 -6.593 -14.640 1.154 102 HA ILE 16 HA ILE 16 -7.622 -13.438 3.700 103 HB ILE 16 HB ILE 16 -9.106 -14.171 1.160 104 1HG1 ILE 16 1HG1 ILE 16 -7.850 -12.031 1.131 105 2HG1 ILE 16 2HG1 ILE 16 -9.594 -11.773 1.064 106 1HG2 ILE 16 1HG2 ILE 16 -10.047 -13.443 3.927 107 2HG2 ILE 16 2HG2 ILE 16 -11.027 -13.042 2.516 108 3HG2 ILE 16 3HG2 ILE 16 -10.629 -14.725 2.864 109 1HD1 ILE 16 1HD1 ILE 16 -8.948 -11.868 3.804 110 2HD1 ILE 16 2HD1 ILE 16 -7.690 -10.885 3.060 111 3HD1 ILE 16 3HD1 ILE 16 -9.384 -10.437 2.870 112 H TYR 17 H TYR 17 -7.637 -15.038 5.204 113 HA TYR 17 HA TYR 17 -7.697 -17.875 4.431 114 1HB TYR 17 1HB TYR 17 -6.241 -17.203 6.222 115 2HB TYR 17 2HB TYR 17 -7.537 -16.327 7.034 116 HD1 TYR 17 HD1 TYR 17 -6.427 -19.745 6.015 117 HD2 TYR 17 HD2 TYR 17 -8.973 -17.418 8.579 118 HE1 TYR 17 HE1 TYR 17 -7.041 -21.794 7.274 119 HE2 TYR 17 HE2 TYR 17 -9.586 -19.468 9.830 120 HH TYR 17 HH TYR 17 -9.512 -21.735 9.798 121 H GLU 18 H GLU 18 -9.543 -19.081 4.331 122 HA GLU 18 HA GLU 18 -12.071 -17.910 5.418 123 1HB GLU 18 1HB GLU 18 -11.552 -20.087 3.366 124 2HB GLU 18 2HB GLU 18 -13.127 -19.399 3.759 125 1HG GLU 18 1HG GLU 18 -12.769 -17.635 2.401 126 2HG GLU 18 2HG GLU 18 -11.207 -17.308 3.150 127 HA PRO 19 HA PRO 19 -11.443 -21.208 8.445 128 1HB PRO 19 1HB PRO 19 -13.505 -20.452 10.086 129 2HB PRO 19 2HB PRO 19 -11.904 -19.710 10.119 130 1HG PRO 19 1HG PRO 19 -14.411 -18.720 8.873 131 2HG PRO 19 2HG PRO 19 -13.142 -17.830 9.715 132 1HD PRO 19 1HD PRO 19 -13.376 -17.911 6.994 133 2HD PRO 19 2HD PRO 19 -11.838 -17.658 7.844 134 H GLU 20 H GLU 20 -14.839 -20.281 7.987 135 HA GLU 20 HA GLU 20 -16.100 -22.732 8.251 136 1HB GLU 20 1HB GLU 20 -16.567 -20.164 6.954 137 2HB GLU 20 2HB GLU 20 -17.385 -21.475 6.106 138 1HG GLU 20 1HG GLU 20 -17.590 -21.588 9.053 139 2HG GLU 20 2HG GLU 20 -18.399 -20.210 8.307 140 H LYS 21 H LYS 21 -14.198 -21.620 5.499 141 HA LYS 21 HA LYS 21 -14.963 -23.998 3.895 142 1HB LYS 21 1HB LYS 21 -13.574 -21.378 3.474 143 2HB LYS 21 2HB LYS 21 -13.232 -22.692 2.347 144 1HG LYS 21 1HG LYS 21 -15.643 -22.949 1.905 145 2HG LYS 21 2HG LYS 21 -15.996 -21.649 3.043 146 1HD LYS 21 1HD LYS 21 -14.519 -20.151 1.625 147 2HD LYS 21 2HD LYS 21 -14.480 -21.446 0.429 148 1HE LYS 21 1HE LYS 21 -16.300 -20.146 -0.316 149 2HE LYS 21 2HE LYS 21 -17.115 -21.358 0.692 150 1HZ LYS 21 1HZ LYS 21 -16.148 -18.698 1.619 151 2HZ LYS 21 2HZ LYS 21 -17.770 -19.094 1.309 152 3HZ LYS 21 3HZ LYS 21 -16.942 -19.856 2.577 153 H GLY 22 H GLY 22 -12.138 -22.572 5.504 154 1HA GLY 22 1HA GLY 22 -10.358 -23.850 6.483 155 2HA GLY 22 2HA GLY 22 -10.876 -25.247 5.539 156 H ASP 23 H ASP 23 -8.180 -24.069 5.765 157 HA ASP 23 HA ASP 23 -7.628 -22.802 3.171 158 1HB ASP 23 1HB ASP 23 -6.516 -22.688 5.653 159 2HB ASP 23 2HB ASP 23 -5.454 -23.869 4.890 160 H LYS 24 H LYS 24 -8.727 -24.977 2.310 161 HA LYS 24 HA LYS 24 -7.557 -27.495 2.282 162 1HB LYS 24 1HB LYS 24 -9.433 -26.032 0.809 163 2HB LYS 24 2HB LYS 24 -8.279 -26.602 -0.397 164 1HG LYS 24 1HG LYS 24 -8.739 -28.836 0.021 165 2HG LYS 24 2HG LYS 24 -9.217 -28.532 1.690 166 1HD LYS 24 1HD LYS 24 -11.362 -27.849 1.092 167 2HD LYS 24 2HD LYS 24 -10.865 -27.370 -0.531 168 1HE LYS 24 1HE LYS 24 -10.359 -29.955 -0.812 169 2HE LYS 24 2HE LYS 24 -11.524 -30.108 0.518 170 1HZ LYS 24 1HZ LYS 24 -12.986 -28.567 -0.768 171 2HZ LYS 24 2HZ LYS 24 -11.917 -28.707 -2.077 172 3HZ LYS 24 3HZ LYS 24 -12.753 -30.075 -1.515 173 H PHE 25 H PHE 25 -6.311 -24.569 0.775 174 HA PHE 25 HA PHE 25 -4.365 -25.900 -0.933 175 1HB PHE 25 1HB PHE 25 -5.302 -23.233 -0.257 176 2HB PHE 25 2HB PHE 25 -3.542 -23.271 -0.359 177 HD1 PHE 25 HD1 PHE 25 -6.324 -25.005 -2.198 178 HD2 PHE 25 HD2 PHE 25 -2.775 -22.598 -2.449 179 HE1 PHE 25 HE1 PHE 25 -6.464 -25.056 -4.674 180 HE2 PHE 25 HE2 PHE 25 -2.916 -22.649 -4.925 181 HZ PHE 25 HZ PHE 25 -4.760 -23.878 -6.037 182 H ALA 26 H ALA 26 -4.482 -24.929 2.415 183 HA ALA 26 HA ALA 26 -1.540 -25.289 2.727 184 1HB ALA 26 3HB ALA 26 -1.912 -23.531 4.099 185 2HB ALA 26 1HB ALA 26 -3.657 -23.715 3.926 186 3HB ALA 26 2HB ALA 26 -2.793 -24.623 5.167 187 H GLY 27 H GLY 27 -4.650 -26.677 3.636 188 1HA GLY 27 1HA GLY 27 -4.539 -29.197 3.933 189 2HA GLY 27 2HA GLY 27 -3.179 -28.891 5.012 190 H ILE 28 H ILE 28 -6.003 -26.780 4.995 191 HA ILE 28 HA ILE 28 -6.727 -27.894 7.684 192 HB ILE 28 HB ILE 28 -6.759 -25.082 6.549 193 1HG1 ILE 28 1HG1 ILE 28 -5.399 -25.782 9.092 194 2HG1 ILE 28 2HG1 ILE 28 -4.676 -26.439 7.623 195 1HG2 ILE 28 1HG2 ILE 28 -7.729 -26.095 9.240 196 2HG2 ILE 28 2HG2 ILE 28 -7.569 -24.396 8.795 197 3HG2 ILE 28 3HG2 ILE 28 -8.740 -25.418 7.963 198 1HD1 ILE 28 1HD1 ILE 28 -5.478 -23.540 7.748 199 2HD1 ILE 28 2HD1 ILE 28 -3.941 -24.064 8.438 200 3HD1 ILE 28 3HD1 ILE 28 -4.268 -24.310 6.722 201 HA PRO 29 HA PRO 29 -10.555 -28.711 5.489 202 1HB PRO 29 1HB PRO 29 -11.936 -29.720 7.633 203 2HB PRO 29 2HB PRO 29 -10.741 -30.660 6.718 204 1HG PRO 29 2HG PRO 29 -9.823 -30.814 8.827 205 2HG PRO 29 1HG PRO 29 -10.451 -29.236 9.323 206 1HD PRO 29 1HD PRO 29 -8.296 -28.566 8.902 207 2HD PRO 29 2HD PRO 29 -8.005 -29.896 7.759 208 HA PRO 30 HA PRO 30 -13.153 -25.323 6.556 209 1HB PRO 30 1HB PRO 30 -15.696 -26.311 6.391 210 2HB PRO 30 2HB PRO 30 -14.681 -26.019 4.964 211 1HG PRO 30 2HG PRO 30 -15.128 -28.259 4.663 212 2HG PRO 30 1HG PRO 30 -15.264 -28.562 6.400 213 1HD PRO 30 1HD PRO 30 -13.145 -29.397 6.153 214 2HD PRO 30 2HD PRO 30 -12.839 -28.447 4.684 215 H GLY 31 H GLY 31 -15.530 -25.138 7.934 216 1HA GLY 31 1HA GLY 31 -16.270 -24.887 10.156 217 2HA GLY 31 2HA GLY 31 -15.950 -26.617 10.262 218 H THR 32 H THR 32 -13.414 -24.250 9.635 219 HA THR 32 HA THR 32 -12.392 -24.690 12.421 220 HB THR 32 HB THR 32 -10.686 -24.552 9.929 221 HG1 THR 32 HG1 THR 32 -12.002 -26.738 11.134 222 1HG2 THR 32 1HG2 THR 32 -9.939 -24.343 12.490 223 2HG2 THR 32 2HG2 THR 32 -10.006 -26.102 12.383 224 3HG2 THR 32 3HG2 THR 32 -8.953 -25.193 11.300 225 HA PRO 33 HA PRO 33 -12.309 -20.205 11.943 226 1HB PRO 33 1HB PRO 33 -11.766 -19.644 14.563 227 2HB PRO 33 2HB PRO 33 -13.389 -20.050 13.980 228 1HG PRO 33 1HG PRO 33 -11.401 -21.748 15.400 229 2HG PRO 33 2HG PRO 33 -13.161 -21.700 15.559 230 1HD PRO 33 1HD PRO 33 -11.787 -23.610 14.144 231 2HD PRO 33 2HD PRO 33 -13.473 -23.158 13.828 232 H PHE 34 H PHE 34 -10.573 -18.679 11.861 233 HA PHE 34 HA PHE 34 -7.943 -19.643 11.439 234 1HB PHE 34 1HB PHE 34 -8.666 -17.543 10.537 235 2HB PHE 34 2HB PHE 34 -9.129 -16.939 12.118 236 HD1 PHE 34 HD1 PHE 34 -7.356 -16.401 13.815 237 HD2 PHE 34 HD2 PHE 34 -6.409 -17.384 9.743 238 HE1 PHE 34 HE1 PHE 34 -5.091 -15.438 14.111 239 HE2 PHE 34 HE2 PHE 34 -4.142 -16.421 10.039 240 HZ PHE 34 HZ PHE 34 -3.483 -15.448 12.223 241 H VAL 35 H VAL 35 -9.588 -18.789 14.400 242 HA VAL 35 HA VAL 35 -7.263 -18.318 16.042 243 HB VAL 35 HB VAL 35 -8.931 -18.584 17.854 244 1HG1 VAL 35 1HG1 VAL 35 -9.060 -16.790 15.641 245 2HG1 VAL 35 2HG1 VAL 35 -10.717 -17.183 16.103 246 3HG1 VAL 35 3HG1 VAL 35 -9.604 -16.509 17.295 247 1HG2 VAL 35 1HG2 VAL 35 -10.251 -20.144 15.758 248 2HG2 VAL 35 2HG2 VAL 35 -10.494 -20.183 17.504 249 3HG2 VAL 35 3HG2 VAL 35 -11.333 -18.981 16.524 250 H ASP 36 H ASP 36 -8.646 -21.207 14.734 251 HA ASP 36 HA ASP 36 -7.366 -22.909 16.823 252 1HB ASP 36 1HB ASP 36 -9.743 -22.988 15.289 253 2HB ASP 36 2HB ASP 36 -8.742 -24.319 14.711 254 H LEU 37 H LEU 37 -6.480 -21.517 13.902 255 HA LEU 37 HA LEU 37 -5.318 -23.576 12.366 256 1HB LEU 37 1HB LEU 37 -4.595 -20.703 12.959 257 2HB LEU 37 2HB LEU 37 -3.657 -21.660 11.809 258 HG LEU 37 HG LEU 37 -6.658 -21.221 11.667 259 1HD1 LEU 37 1HD1 LEU 37 -5.066 -19.231 11.206 260 2HD1 LEU 37 2HD1 LEU 37 -4.580 -20.132 9.770 261 3HD1 LEU 37 3HD1 LEU 37 -6.258 -19.627 9.968 262 1HD2 LEU 37 1HD2 LEU 37 -4.907 -23.147 10.466 263 2HD2 LEU 37 2HD2 LEU 37 -6.637 -22.929 10.200 264 3HD2 LEU 37 3HD2 LEU 37 -5.475 -22.048 9.208 265 H SER 38 H SER 38 -3.009 -24.238 12.278 266 HA SER 38 HA SER 38 -1.978 -25.299 14.669 267 1HB SER 38 1HB SER 38 -0.919 -24.592 11.957 268 2HB SER 38 2HB SER 38 0.234 -25.096 13.193 269 HG SER 38 HG SER 38 -0.998 -26.711 11.744 270 H ASP 39 H ASP 39 0.371 -24.607 15.466 271 HA ASP 39 HA ASP 39 0.115 -21.897 16.546 272 1HB ASP 39 1HB ASP 39 1.468 -24.375 17.103 273 2HB ASP 39 2HB ASP 39 2.648 -23.064 17.102 274 H SER 40 H SER 40 1.700 -23.358 13.826 275 HA SER 40 HA SER 40 3.155 -20.784 13.340 276 1HB SER 40 1HB SER 40 4.879 -22.452 12.265 277 2HB SER 40 2HB SER 40 4.864 -22.237 14.015 278 HG SER 40 HG SER 40 3.587 -24.288 12.535 279 H PHE 41 H PHE 41 0.564 -21.630 12.271 280 HA PHE 41 HA PHE 41 0.677 -22.820 9.702 281 1HB PHE 41 1HB PHE 41 -1.438 -22.470 10.693 282 2HB PHE 41 2HB PHE 41 -1.090 -20.798 11.084 283 HD1 PHE 41 HD1 PHE 41 -2.036 -23.140 8.384 284 HD2 PHE 41 HD2 PHE 41 -1.350 -19.033 9.439 285 HE1 PHE 41 HE1 PHE 41 -3.114 -22.416 6.272 286 HE2 PHE 41 HE2 PHE 41 -2.426 -18.310 7.326 287 HZ PHE 41 HZ PHE 41 -3.309 -20.002 5.743 288 H MET 42 H MET 42 1.418 -22.066 7.734 289 HA MET 42 HA MET 42 2.472 -19.268 7.650 290 1HB MET 42 2HB MET 42 3.965 -20.129 5.927 291 2HB MET 42 1HB MET 42 3.083 -21.653 5.875 292 1HG MET 42 1HG MET 42 4.320 -20.662 8.442 293 2HG MET 42 2HG MET 42 3.866 -22.310 8.006 294 1HE MET 42 1HE MET 42 6.203 -19.795 8.477 295 2HE MET 42 2HE MET 42 7.074 -21.203 9.076 296 3HE MET 42 3HE MET 42 7.737 -20.252 7.740 297 H CYS 43 H CYS 43 1.803 -17.893 5.974 298 HA CYS 43 HA CYS 43 -0.779 -18.164 4.861 299 1HB CYS 43 1HB CYS 43 0.653 -16.110 5.144 300 2HB CYS 43 2HB CYS 43 1.591 -16.643 3.749 301 HA PRO 44 HA PRO 44 0.083 -20.992 1.537 302 1HB PRO 44 1HB PRO 44 -2.297 -20.768 0.217 303 2HB PRO 44 2HB PRO 44 -2.115 -21.677 1.728 304 1HG PRO 44 1HG PRO 44 -3.262 -18.981 1.259 305 2HG PRO 44 2HG PRO 44 -3.731 -20.218 2.431 306 1HD PRO 44 1HD PRO 44 -2.223 -17.966 3.003 307 2HD PRO 44 2HD PRO 44 -2.280 -19.436 3.996 308 H ALA 45 H ALA 45 -0.011 -17.670 1.277 309 HA ALA 45 HA ALA 45 0.433 -17.775 -1.680 310 1HB ALA 45 2HB ALA 45 -0.655 -15.473 -0.042 311 2HB ALA 45 3HB ALA 45 -0.642 -15.616 -1.799 312 3HB ALA 45 1HB ALA 45 -1.682 -16.666 -0.836 313 H CYS 46 H CYS 46 1.364 -16.204 1.383 314 HA CYS 46 HA CYS 46 3.883 -15.361 0.007 315 1HB CYS 46 2HB CYS 46 2.046 -13.654 0.747 316 2HB CYS 46 1HB CYS 46 3.737 -13.281 1.050 317 H ARG 47 H ARG 47 2.829 -17.624 2.088 318 HA ARG 47 HA ARG 47 3.909 -18.978 3.693 319 1HB ARG 47 1HB ARG 47 5.583 -18.720 1.786 320 2HB ARG 47 2HB ARG 47 6.378 -17.493 2.772 321 1HG ARG 47 1HG ARG 47 7.099 -19.030 4.346 322 2HG ARG 47 2HG ARG 47 5.756 -20.131 4.037 323 1HD ARG 47 1HD ARG 47 7.347 -19.850 1.637 324 2HD ARG 47 2HD ARG 47 8.379 -20.331 2.997 325 HE ARG 47 HE ARG 47 7.251 -22.408 2.971 326 1HH1 ARG 47 1HH1 ARG 47 5.906 -20.627 0.518 327 2HH1 ARG 47 2HH1 ARG 47 4.335 -21.352 0.588 328 1HH2 ARG 47 1HH2 ARG 47 4.960 -23.052 3.544 329 2HH2 ARG 47 2HH2 ARG 47 3.801 -22.729 2.298 330 H SER 48 H SER 48 3.261 -15.928 4.371 331 HA SER 48 HA SER 48 5.216 -15.243 6.414 332 1HB SER 48 1HB SER 48 2.462 -14.335 5.601 333 2HB SER 48 2HB SER 48 3.188 -13.723 7.084 334 HG SER 48 HG SER 48 3.665 -12.411 5.267 335 HA PRO 49 HA PRO 49 3.707 -17.649 9.769 336 1HB PRO 49 1HB PRO 49 3.870 -15.913 11.883 337 2HB PRO 49 2HB PRO 49 5.293 -16.661 11.131 338 1HG PRO 49 2HG PRO 49 5.843 -14.433 10.876 339 2HG PRO 49 1HG PRO 49 4.150 -13.930 10.740 340 1HD PRO 49 1HD PRO 49 4.648 -13.871 8.500 341 2HD PRO 49 2HD PRO 49 5.966 -15.051 8.664 342 H LYS 50 H LYS 50 1.735 -18.088 10.839 343 HA LYS 50 HA LYS 50 -0.660 -16.889 9.990 344 1HB LYS 50 1HB LYS 50 -0.307 -19.090 11.165 345 2HB LYS 50 2HB LYS 50 -0.085 -18.198 12.669 346 1HG LYS 50 1HG LYS 50 -2.382 -17.120 12.120 347 2HG LYS 50 2HG LYS 50 -2.575 -18.461 10.990 348 1HD LYS 50 1HD LYS 50 -2.706 -20.038 12.670 349 2HD LYS 50 2HD LYS 50 -1.674 -19.113 13.761 350 1HE LYS 50 1HE LYS 50 -3.594 -17.436 13.958 351 2HE LYS 50 2HE LYS 50 -4.604 -18.639 13.133 352 1HZ LYS 50 1HZ LYS 50 -2.902 -19.357 15.449 353 2HZ LYS 50 2HZ LYS 50 -4.473 -18.758 15.672 354 3HZ LYS 50 3HZ LYS 50 -4.230 -20.204 14.812 355 H ASN 51 H ASN 51 1.563 -15.831 12.476 356 HA ASN 51 HA ASN 51 -0.230 -14.108 13.920 357 1HB ASN 51 1HB ASN 51 2.045 -14.935 14.619 358 2HB ASN 51 2HB ASN 51 2.755 -13.841 13.432 359 2HD2 ASN 51 2HD2 ASN 51 1.480 -14.051 16.646 360 1HD2 ASN 51 1HD2 ASN 51 1.538 -12.394 17.008 361 H GLN 52 H GLN 52 1.090 -13.912 10.754 362 HA GLN 52 HA GLN 52 1.010 -10.973 10.595 363 1HB GLN 52 1HB GLN 52 2.172 -13.166 9.207 364 2HB GLN 52 2HB GLN 52 1.112 -12.344 8.063 365 1HG GLN 52 2HG GLN 52 3.370 -11.360 8.014 366 2HG GLN 52 1HG GLN 52 3.268 -11.025 9.744 367 2HE2 GLN 52 2HE2 GLN 52 0.690 -10.626 7.272 368 1HE2 GLN 52 1HE2 GLN 52 0.515 -8.954 7.503 369 H PHE 53 H PHE 53 -1.325 -13.419 10.574 370 HA PHE 53 HA PHE 53 -3.028 -12.281 8.456 371 1HB PHE 53 1HB PHE 53 -3.112 -14.533 10.439 372 2HB PHE 53 2HB PHE 53 -4.614 -14.020 9.672 373 HD1 PHE 53 HD1 PHE 53 -1.077 -14.944 8.840 374 HD2 PHE 53 HD2 PHE 53 -5.171 -14.823 7.545 375 HE1 PHE 53 HE1 PHE 53 -0.464 -16.188 6.784 376 HE2 PHE 53 HE2 PHE 53 -4.557 -16.067 5.490 377 HZ PHE 53 HZ PHE 53 -2.204 -16.749 5.109 378 H LYS 54 H LYS 54 -4.649 -10.794 8.790 379 HA LYS 54 HA LYS 54 -5.256 -10.019 11.625 380 1HB LYS 54 1HB LYS 54 -4.014 -8.527 9.735 381 2HB LYS 54 2HB LYS 54 -5.692 -8.128 9.366 382 1HG LYS 54 1HG LYS 54 -5.192 -8.107 12.236 383 2HG LYS 54 2HG LYS 54 -4.128 -6.988 11.384 384 1HD LYS 54 1HD LYS 54 -6.458 -6.451 10.117 385 2HD LYS 54 2HD LYS 54 -7.083 -6.928 11.696 386 1HE LYS 54 1HE LYS 54 -6.490 -4.908 12.534 387 2HE LYS 54 2HE LYS 54 -4.800 -5.218 12.090 388 1HZ LYS 54 1HZ LYS 54 -5.471 -4.646 9.757 389 2HZ LYS 54 2HZ LYS 54 -6.956 -4.099 10.376 390 3HZ LYS 54 3HZ LYS 54 -5.509 -3.340 10.839 391 H SER 55 H SER 55 -7.399 -10.228 12.186 392 HA SER 55 HA SER 55 -9.320 -11.410 10.435 393 1HB SER 55 1HB SER 55 -10.877 -10.857 12.293 394 2HB SER 55 2HB SER 55 -9.375 -11.557 12.872 395 HG SER 55 HG SER 55 -10.421 -9.246 13.534 396 H ILE 56 H ILE 56 -11.572 -10.264 10.292 397 HA ILE 56 HA ILE 56 -11.502 -7.377 9.734 398 HB ILE 56 HB ILE 56 -10.448 -8.313 7.730 399 1HG1 ILE 56 2HG1 ILE 56 -13.320 -7.416 7.410 400 2HG1 ILE 56 1HG1 ILE 56 -12.251 -7.666 6.029 401 1HG2 ILE 56 1HG2 ILE 56 -12.380 -10.404 8.189 402 2HG2 ILE 56 2HG2 ILE 56 -12.556 -9.787 6.547 403 3HG2 ILE 56 3HG2 ILE 56 -10.997 -10.403 7.096 404 1HD1 ILE 56 1HD1 ILE 56 -10.653 -6.147 7.633 405 2HD1 ILE 56 2HD1 ILE 56 -11.702 -5.478 6.383 406 3HD1 ILE 56 3HD1 ILE 56 -12.241 -5.512 8.062 407 H LYS 57 H LYS 57 -13.289 -7.356 11.227 408 HA LYS 57 HA LYS 57 -15.761 -8.746 10.273 409 1HB LYS 57 1HB LYS 57 -16.415 -8.561 12.698 410 2HB LYS 57 2HB LYS 57 -14.964 -9.527 12.430 411 1HG LYS 57 1HG LYS 57 -13.576 -7.955 13.379 412 2HG LYS 57 2HG LYS 57 -14.586 -6.602 12.868 413 1HD LYS 57 1HD LYS 57 -16.268 -7.237 14.578 414 2HD LYS 57 2HD LYS 57 -15.214 -8.547 15.109 415 1HE LYS 57 1HE LYS 57 -13.992 -7.114 16.373 416 2HE LYS 57 2HE LYS 57 -13.757 -6.029 14.989 417 1HZ LYS 57 1HZ LYS 57 -16.132 -5.340 15.330 418 2HZ LYS 57 2HZ LYS 57 -16.103 -6.178 16.807 419 3HZ LYS 57 3HZ LYS 57 -15.071 -4.851 16.560 420 H LYS 58 H LYS 58 -15.832 -6.721 8.827 421 HA LYS 58 HA LYS 58 -17.124 -4.461 10.323 422 1HB LYS 58 1HB LYS 58 -14.921 -4.606 8.469 423 2HB LYS 58 2HB LYS 58 -16.215 -3.641 7.756 424 1HG LYS 58 1HG LYS 58 -16.093 -2.018 9.394 425 2HG LYS 58 2HG LYS 58 -15.538 -3.152 10.624 426 1HD LYS 58 2HD LYS 58 -13.451 -3.252 8.877 427 2HD LYS 58 1HD LYS 58 -13.514 -2.160 10.260 428 1HE LYS 58 1HE LYS 58 -13.881 -1.559 7.356 429 2HE LYS 58 2HE LYS 58 -14.863 -0.636 8.510 430 1HZ LYS 58 1HZ LYS 58 -11.926 -1.058 8.739 431 2HZ LYS 58 2HZ LYS 58 -12.644 0.357 8.131 432 3HZ LYS 58 3HZ LYS 58 -12.888 -0.096 9.751 433 H VAL 59 H VAL 59 -18.977 -6.215 9.859 434 HA VAL 59 HA VAL 59 -20.025 -6.493 7.201 435 HB VAL 59 HB VAL 59 -21.404 -6.562 9.907 436 1HG1 VAL 59 1HG1 VAL 59 -22.676 -6.588 7.560 437 2HG1 VAL 59 2HG1 VAL 59 -22.175 -8.279 7.584 438 3HG1 VAL 59 3HG1 VAL 59 -23.178 -7.638 8.885 439 1HG2 VAL 59 1HG2 VAL 59 -19.277 -8.126 8.955 440 2HG2 VAL 59 2HG2 VAL 59 -20.327 -8.499 10.322 441 3HG2 VAL 59 3HG2 VAL 59 -20.714 -9.120 8.717 442 H ILE 60 H ILE 60 -21.797 -5.361 6.221 443 HA ILE 60 HA ILE 60 -22.455 -2.703 7.450 444 HB ILE 60 HB ILE 60 -20.804 -2.507 5.635 445 1HG1 ILE 60 1HG1 ILE 60 -23.547 -1.681 4.639 446 2HG1 ILE 60 2HG1 ILE 60 -22.650 -0.809 5.881 447 1HG2 ILE 60 1HG2 ILE 60 -22.381 -4.614 4.513 448 2HG2 ILE 60 2HG2 ILE 60 -22.409 -3.255 3.389 449 3HG2 ILE 60 3HG2 ILE 60 -20.868 -3.942 3.902 450 1HD1 ILE 60 1HD1 ILE 60 -20.715 -0.874 4.073 451 2HD1 ILE 60 2HD1 ILE 60 -22.062 -1.083 2.953 452 3HD1 ILE 60 3HD1 ILE 60 -21.981 0.350 3.979 453 H ALA 61 H ALA 61 -24.631 -2.093 7.255 454 HA ALA 61 HA ALA 61 -26.954 -2.424 6.959 455 1HB ALA 61 2HB ALA 61 -25.916 -3.778 4.446 456 2HB ALA 61 1HB ALA 61 -26.102 -2.034 4.636 457 3HB ALA 61 3HB ALA 61 -27.521 -3.081 4.669 458 H GLY 62 H GLY 62 -28.290 -4.604 5.705 459 1HA GLY 62 1HA GLY 62 -29.058 -6.767 6.194 460 2HA GLY 62 2HA GLY 62 -27.375 -7.176 6.530 461 H PHE 63 H PHE 63 -29.102 -4.633 8.243 462 HA PHE 63 HA PHE 63 -28.851 -6.264 10.743 463 1HB PHE 63 1HB PHE 63 -27.944 -3.736 10.019 464 2HB PHE 63 2HB PHE 63 -29.375 -3.394 10.992 465 HD1 PHE 63 HD1 PHE 63 -29.584 -4.508 13.282 466 HD2 PHE 63 HD2 PHE 63 -25.925 -4.440 11.033 467 HE1 PHE 63 HE1 PHE 63 -28.308 -5.022 15.344 468 HE2 PHE 63 HE2 PHE 63 -24.648 -4.955 13.097 469 HZ PHE 63 HZ PHE 63 -25.840 -5.245 15.252 470 H ALA 64 H ALA 64 -30.908 -3.509 9.737 471 HA ALA 64 HA ALA 64 -33.305 -5.112 10.562 472 1HB ALA 64 3HB ALA 64 -33.103 -3.727 12.398 473 2HB ALA 64 1HB ALA 64 -32.236 -2.486 11.492 474 3HB ALA 64 2HB ALA 64 -33.987 -2.627 11.341 475 H GLU 65 H GLU 65 -35.367 -3.820 9.789 476 HA GLU 65 HA GLU 65 -34.824 -2.642 7.082 477 1HB GLU 65 1HB GLU 65 -36.614 -4.849 8.033 478 2HB GLU 65 2HB GLU 65 -37.156 -3.862 6.676 479 1HG GLU 65 1HG GLU 65 -35.403 -4.547 5.301 480 2HG GLU 65 2HG GLU 65 -34.360 -4.954 6.665 481 H ASN 66 H ASN 66 -35.336 -0.481 7.459 482 HA ASN 66 HA ASN 66 -37.509 0.325 9.243 483 1HB ASN 66 1HB ASN 66 -35.471 1.583 7.449 484 2HB ASN 66 2HB ASN 66 -36.857 2.561 7.929 485 2HD2 ASN 66 2HD2 ASN 66 -34.769 3.675 9.020 486 1HD2 ASN 66 1HD2 ASN 66 -34.469 3.195 10.620 487 H GLN 67 H GLN 67 -37.022 1.272 5.835 488 HA GLN 67 HA GLN 67 -39.949 0.783 5.370 489 1HB GLN 67 1HB GLN 67 -38.040 2.988 4.624 490 2HB GLN 67 2HB GLN 67 -39.456 2.687 3.616 491 1HG GLN 67 1HG GLN 67 -39.659 3.028 6.613 492 2HG GLN 67 2HG GLN 67 -39.751 4.396 5.504 493 2HE2 GLN 67 2HE2 GLN 67 -41.626 4.527 4.072 494 1HE2 GLN 67 1HE2 GLN 67 -43.007 3.575 4.335 495 H LYS 68 H LYS 68 -37.358 1.649 3.106 496 HA LYS 68 HA LYS 68 -37.798 -0.974 1.712 497 1HB LYS 68 1HB LYS 68 -38.753 1.025 0.579 498 2HB LYS 68 2HB LYS 68 -37.155 1.768 0.574 499 1HG LYS 68 1HG LYS 68 -36.679 -0.730 -0.524 500 2HG LYS 68 2HG LYS 68 -38.256 -0.302 -1.189 501 1HD LYS 68 1HD LYS 68 -36.037 1.728 -1.184 502 2HD LYS 68 2HD LYS 68 -36.082 0.484 -2.433 503 1HE LYS 68 1HE LYS 68 -38.410 1.175 -3.007 504 2HE LYS 68 2HE LYS 68 -38.298 2.469 -1.799 505 1HZ LYS 68 1HZ LYS 68 -36.304 2.087 -3.968 506 2HZ LYS 68 2HZ LYS 68 -37.640 3.119 -4.125 507 3HZ LYS 68 3HZ LYS 68 -36.467 3.426 -2.935 508 H TYR 69 H TYR 69 -35.928 -1.658 3.149 509 HA TYR 69 HA TYR 69 -33.385 -1.317 1.713 510 1HB TYR 69 1HB TYR 69 -34.023 0.552 3.604 511 2HB TYR 69 2HB TYR 69 -33.180 -0.642 4.591 512 HD1 TYR 69 HD1 TYR 69 -31.091 -1.721 3.001 513 HD2 TYR 69 HD2 TYR 69 -32.607 2.297 3.007 514 HE1 TYR 69 HE1 TYR 69 -28.914 -0.897 2.140 515 HE2 TYR 69 HE2 TYR 69 -30.432 3.121 2.147 516 HH TYR 69 HH TYR 69 -27.784 1.876 2.366 517 H GLY 70 H GLY 70 -32.449 -3.327 1.792 518 1HA GLY 70 1HA GLY 70 -31.489 -5.171 3.067 519 2HA GLY 70 2HA GLY 70 -32.736 -4.926 4.289 No H/Q in entry = 519 Start of MODEL 20 1 H1 MET 1 1H MET 1 -14.519 -3.552 2.600 2 H2 MET 1 2H MET 1 -12.834 -3.734 2.482 3 H3 MET 1 3H MET 1 -13.863 -5.004 2.020 4 HA MET 1 HA MET 1 -13.083 -5.651 4.124 5 1HB MET 1 1HB MET 1 -12.968 -3.976 5.944 6 2HB MET 1 2HB MET 1 -12.063 -3.435 4.531 7 1HG MET 1 1HG MET 1 -14.873 -2.638 4.413 8 2HG MET 1 2HG MET 1 -14.061 -1.999 5.842 9 1HE MET 1 1HE MET 1 -13.391 0.254 5.743 10 2HE MET 1 2HE MET 1 -11.856 -0.623 5.804 11 3HE MET 1 3HE MET 1 -12.028 0.784 4.759 12 H GLU 2 H GLU 2 -15.534 -6.115 2.953 13 HA GLU 2 HA GLU 2 -17.526 -5.543 5.122 14 1HB GLU 2 1HB GLU 2 -17.557 -5.612 2.166 15 2HB GLU 2 2HB GLU 2 -18.950 -6.375 2.934 16 1HG GLU 2 1HG GLU 2 -18.983 -4.211 4.414 17 2HG GLU 2 2HG GLU 2 -18.023 -3.519 3.105 18 H ILE 3 H ILE 3 -15.985 -7.593 5.867 19 HA ILE 3 HA ILE 3 -17.622 -10.016 5.209 20 HB ILE 3 HB ILE 3 -14.620 -9.956 5.622 21 1HG1 ILE 3 1HG1 ILE 3 -16.074 -10.243 2.980 22 2HG1 ILE 3 2HG1 ILE 3 -15.424 -8.705 3.545 23 1HG2 ILE 3 1HG2 ILE 3 -16.661 -12.033 4.910 24 2HG2 ILE 3 2HG2 ILE 3 -15.014 -12.199 4.303 25 3HG2 ILE 3 3HG2 ILE 3 -15.311 -12.138 6.040 26 1HD1 ILE 3 1HD1 ILE 3 -13.238 -10.196 3.920 27 2HD1 ILE 3 2HD1 ILE 3 -13.979 -11.156 2.639 28 3HD1 ILE 3 3HD1 ILE 3 -13.595 -9.458 2.358 29 H ASP 4 H ASP 4 -17.472 -11.665 6.944 30 HA ASP 4 HA ASP 4 -16.409 -10.805 9.564 31 1HB ASP 4 1HB ASP 4 -18.544 -9.623 9.326 32 2HB ASP 4 2HB ASP 4 -19.347 -11.151 8.961 33 H GLU 5 H GLU 5 -16.771 -13.240 7.463 34 HA GLU 5 HA GLU 5 -17.750 -15.376 9.207 35 1HB GLU 5 1HB GLU 5 -17.725 -15.023 6.572 36 2HB GLU 5 2HB GLU 5 -16.153 -15.810 6.707 37 1HG GLU 5 1HG GLU 5 -17.118 -17.823 7.001 38 2HG GLU 5 2HG GLU 5 -18.121 -17.202 8.313 39 H GLY 6 H GLY 6 -15.738 -14.209 10.655 40 1HA GLY 6 1HA GLY 6 -13.651 -14.593 11.665 41 2HA GLY 6 2HA GLY 6 -13.956 -16.286 11.286 42 H LYS 7 H LYS 7 -13.791 -13.942 8.714 43 HA LYS 7 HA LYS 7 -11.566 -15.374 7.478 44 1HB LYS 7 1HB LYS 7 -13.114 -12.856 6.792 45 2HB LYS 7 2HB LYS 7 -11.944 -13.620 5.716 46 1HG LYS 7 1HG LYS 7 -13.564 -15.737 6.453 47 2HG LYS 7 2HG LYS 7 -14.707 -14.401 6.328 48 1HD LYS 7 1HD LYS 7 -13.101 -14.038 4.106 49 2HD LYS 7 2HD LYS 7 -13.223 -15.794 4.213 50 1HE LYS 7 1HE LYS 7 -15.826 -14.783 4.733 51 2HE LYS 7 2HE LYS 7 -15.218 -13.920 3.307 52 1HZ LYS 7 1HZ LYS 7 -14.444 -16.116 2.464 53 2HZ LYS 7 2HZ LYS 7 -15.264 -16.862 3.751 54 3HZ LYS 7 3HZ LYS 7 -16.133 -15.994 2.577 55 H TYR 8 H TYR 8 -9.414 -14.748 7.499 56 HA TYR 8 HA TYR 8 -8.769 -12.199 8.956 57 1HB TYR 8 1HB TYR 8 -7.519 -14.938 8.779 58 2HB TYR 8 2HB TYR 8 -6.521 -13.553 9.219 59 HD1 TYR 8 HD1 TYR 8 -9.982 -14.752 10.030 60 HD2 TYR 8 HD2 TYR 8 -6.230 -13.294 11.516 61 HE1 TYR 8 HE1 TYR 8 -10.867 -14.866 12.340 62 HE2 TYR 8 HE2 TYR 8 -7.111 -13.409 13.835 63 HH TYR 8 HH TYR 8 -9.034 -13.595 15.066 64 H GLU 9 H GLU 9 -7.827 -10.637 7.685 65 HA GLU 9 HA GLU 9 -6.942 -11.328 4.954 66 1HB GLU 9 1HB GLU 9 -8.391 -9.366 5.529 67 2HB GLU 9 2HB GLU 9 -7.043 -8.684 6.435 68 1HG GLU 9 1HG GLU 9 -6.105 -9.460 3.833 69 2HG GLU 9 2HG GLU 9 -7.561 -8.489 3.632 70 H CYS 10 H CYS 10 -4.808 -11.637 4.437 71 HA CYS 10 HA CYS 10 -2.732 -11.533 6.459 72 1HB CYS 10 1HB CYS 10 -3.050 -12.953 4.267 73 2HB CYS 10 2HB CYS 10 -2.265 -11.585 3.497 74 H GLU 11 H GLU 11 -1.894 -9.590 7.154 75 HA GLU 11 HA GLU 11 -2.069 -7.145 5.606 76 1HB GLU 11 1HB GLU 11 -1.252 -8.088 8.216 77 2HB GLU 11 2HB GLU 11 -0.050 -6.968 7.580 78 1HG GLU 11 1HG GLU 11 -1.734 -5.265 7.225 79 2HG GLU 11 2HG GLU 11 -3.027 -6.397 7.621 80 H ALA 12 H ALA 12 0.038 -9.851 5.506 81 HA ALA 12 HA ALA 12 2.407 -8.399 4.570 82 1HB ALA 12 1HB ALA 12 1.563 -11.215 5.129 83 2HB ALA 12 2HB ALA 12 2.990 -10.951 4.127 84 3HB ALA 12 3HB ALA 12 2.935 -10.311 5.769 85 H CYS 13 H CYS 13 -0.079 -10.547 3.060 86 HA CYS 13 HA CYS 13 0.994 -9.601 0.424 87 1HB CYS 13 2HB CYS 13 1.348 -12.029 1.152 88 2HB CYS 13 1HB CYS 13 0.626 -11.791 -0.434 89 H GLY 14 H GLY 14 -1.901 -10.133 2.355 90 1HA GLY 14 1HA GLY 14 -3.859 -8.718 1.957 91 2HA GLY 14 2HA GLY 14 -3.429 -8.673 0.247 92 H TYR 15 H TYR 15 -3.221 -11.707 1.897 93 HA TYR 15 HA TYR 15 -5.278 -12.863 0.159 94 1HB TYR 15 1HB TYR 15 -3.257 -14.099 0.572 95 2HB TYR 15 2HB TYR 15 -3.398 -13.870 2.312 96 HD1 TYR 15 HD1 TYR 15 -5.045 -15.499 -0.618 97 HD2 TYR 15 HD2 TYR 15 -4.592 -15.406 3.652 98 HE1 TYR 15 HE1 TYR 15 -6.330 -17.612 -0.437 99 HE2 TYR 15 HE2 TYR 15 -5.876 -17.520 3.834 100 HH TYR 15 HH TYR 15 -6.273 -19.596 1.937 101 H ILE 16 H ILE 16 -6.992 -14.298 1.233 102 HA ILE 16 HA ILE 16 -7.973 -13.059 3.784 103 HB ILE 16 HB ILE 16 -9.404 -13.787 1.213 104 1HG1 ILE 16 1HG1 ILE 16 -8.277 -11.582 1.342 105 2HG1 ILE 16 2HG1 ILE 16 -10.029 -11.422 1.227 106 1HG2 ILE 16 1HG2 ILE 16 -10.731 -14.534 3.191 107 2HG2 ILE 16 2HG2 ILE 16 -10.654 -12.892 3.830 108 3HG2 ILE 16 3HG2 ILE 16 -11.506 -13.212 2.320 109 1HD1 ILE 16 1HD1 ILE 16 -9.875 -11.430 3.876 110 2HD1 ILE 16 2HD1 ILE 16 -8.220 -10.912 3.563 111 3HD1 ILE 16 3HD1 ILE 16 -9.571 -9.949 2.969 112 H TYR 17 H TYR 17 -7.493 -14.763 5.192 113 HA TYR 17 HA TYR 17 -7.705 -17.554 4.508 114 1HB TYR 17 1HB TYR 17 -6.312 -16.787 6.341 115 2HB TYR 17 2HB TYR 17 -7.693 -16.029 7.134 116 HD1 TYR 17 HD1 TYR 17 -6.388 -19.340 5.980 117 HD2 TYR 17 HD2 TYR 17 -9.038 -17.257 8.645 118 HE1 TYR 17 HE1 TYR 17 -6.911 -21.474 7.131 119 HE2 TYR 17 HE2 TYR 17 -9.566 -19.392 9.791 120 HH TYR 17 HH TYR 17 -9.243 -22.209 8.664 121 H GLU 18 H GLU 18 -9.488 -18.887 4.561 122 HA GLU 18 HA GLU 18 -12.065 -17.703 5.532 123 1HB GLU 18 1HB GLU 18 -11.418 -19.760 3.397 124 2HB GLU 18 2HB GLU 18 -13.055 -19.288 3.855 125 1HG GLU 18 1HG GLU 18 -12.916 -17.292 2.765 126 2HG GLU 18 2HG GLU 18 -11.242 -17.034 3.255 127 HA PRO 19 HA PRO 19 -11.461 -21.072 8.487 128 1HB PRO 19 1HB PRO 19 -13.481 -20.306 10.173 129 2HB PRO 19 2HB PRO 19 -11.866 -19.596 10.197 130 1HG PRO 19 1HG PRO 19 -14.371 -18.525 9.021 131 2HG PRO 19 2HG PRO 19 -13.063 -17.679 9.849 132 1HD PRO 19 1HD PRO 19 -13.370 -17.723 7.126 133 2HD PRO 19 2HD PRO 19 -11.814 -17.482 7.945 134 H GLU 20 H GLU 20 -14.811 -20.008 8.007 135 HA GLU 20 HA GLU 20 -16.196 -22.389 8.260 136 1HB GLU 20 1HB GLU 20 -16.502 -19.822 6.889 137 2HB GLU 20 2HB GLU 20 -17.408 -21.116 6.104 138 1HG GLU 20 1HG GLU 20 -17.537 -20.895 9.088 139 2HG GLU 20 2HG GLU 20 -18.465 -19.750 8.121 140 H LYS 21 H LYS 21 -14.108 -21.460 5.583 141 HA LYS 21 HA LYS 21 -14.973 -23.862 4.037 142 1HB LYS 21 1HB LYS 21 -13.501 -21.298 3.437 143 2HB LYS 21 2HB LYS 21 -13.447 -22.653 2.308 144 1HG LYS 21 1HG LYS 21 -15.806 -22.605 1.980 145 2HG LYS 21 2HG LYS 21 -16.056 -21.564 3.381 146 1HD LYS 21 2HD LYS 21 -14.447 -19.939 2.015 147 2HD LYS 21 1HD LYS 21 -16.180 -19.983 1.695 148 1HE LYS 21 2HE LYS 21 -14.717 -22.036 0.193 149 2HE LYS 21 1HE LYS 21 -14.199 -20.387 -0.209 150 1HZ LYS 21 1HZ LYS 21 -16.609 -19.800 -0.307 151 2HZ LYS 21 2HZ LYS 21 -16.114 -20.873 -1.523 152 3HZ LYS 21 3HZ LYS 21 -16.974 -21.454 -0.178 153 H GLY 22 H GLY 22 -12.221 -22.456 5.735 154 1HA GLY 22 1HA GLY 22 -10.385 -23.695 6.623 155 2HA GLY 22 2HA GLY 22 -10.878 -25.078 5.644 156 H ASP 23 H ASP 23 -8.203 -23.873 5.889 157 HA ASP 23 HA ASP 23 -7.686 -22.510 3.337 158 1HB ASP 23 1HB ASP 23 -6.430 -22.939 5.904 159 2HB ASP 23 2HB ASP 23 -5.303 -23.358 4.614 160 H LYS 24 H LYS 24 -8.771 -24.675 2.419 161 HA LYS 24 HA LYS 24 -7.564 -27.173 2.289 162 1HB LYS 24 1HB LYS 24 -9.261 -25.473 0.616 163 2HB LYS 24 2HB LYS 24 -8.324 -26.627 -0.332 164 1HG LYS 24 1HG LYS 24 -9.657 -27.627 2.148 165 2HG LYS 24 2HG LYS 24 -10.675 -27.294 0.748 166 1HD LYS 24 1HD LYS 24 -8.252 -28.716 -0.015 167 2HD LYS 24 2HD LYS 24 -9.170 -29.614 1.193 168 1HE LYS 24 1HE LYS 24 -10.656 -28.389 -1.114 169 2HE LYS 24 2HE LYS 24 -9.758 -29.897 -1.374 170 1HZ LYS 24 1HZ LYS 24 -11.556 -29.494 0.951 171 2HZ LYS 24 2HZ LYS 24 -12.121 -30.130 -0.517 172 3HZ LYS 24 3HZ LYS 24 -10.921 -30.955 0.358 173 H PHE 25 H PHE 25 -6.381 -24.180 0.876 174 HA PHE 25 HA PHE 25 -4.433 -25.463 -0.887 175 1HB PHE 25 1HB PHE 25 -5.621 -22.962 -0.567 176 2HB PHE 25 2HB PHE 25 -3.943 -22.689 -0.099 177 HD1 PHE 25 HD1 PHE 25 -2.091 -23.359 -1.681 178 HD2 PHE 25 HD2 PHE 25 -6.228 -23.345 -2.837 179 HE1 PHE 25 HE1 PHE 25 -1.424 -23.386 -4.070 180 HE2 PHE 25 HE2 PHE 25 -5.560 -23.371 -5.225 181 HZ PHE 25 HZ PHE 25 -3.158 -23.393 -5.842 182 H ALA 26 H ALA 26 -4.541 -24.552 2.464 183 HA ALA 26 HA ALA 26 -1.569 -24.729 2.700 184 1HB ALA 26 3HB ALA 26 -1.831 -23.238 4.413 185 2HB ALA 26 2HB ALA 26 -3.245 -24.083 5.047 186 3HB ALA 26 1HB ALA 26 -3.419 -22.963 3.694 187 H GLY 27 H GLY 27 -4.592 -26.225 3.741 188 1HA GLY 27 1HA GLY 27 -4.347 -28.743 4.053 189 2HA GLY 27 2HA GLY 27 -2.989 -28.353 5.106 190 H ILE 28 H ILE 28 -5.992 -26.482 5.038 191 HA ILE 28 HA ILE 28 -6.637 -27.590 7.750 192 HB ILE 28 HB ILE 28 -6.650 -24.749 6.693 193 1HG1 ILE 28 1HG1 ILE 28 -5.336 -25.200 9.225 194 2HG1 ILE 28 2HG1 ILE 28 -4.712 -26.327 8.021 195 1HG2 ILE 28 1HG2 ILE 28 -7.687 -25.849 9.323 196 2HG2 ILE 28 2HG2 ILE 28 -7.445 -24.135 8.986 197 3HG2 ILE 28 3HG2 ILE 28 -8.640 -25.054 8.071 198 1HD1 ILE 28 1HD1 ILE 28 -4.914 -23.890 6.659 199 2HD1 ILE 28 2HD1 ILE 28 -4.288 -23.456 8.248 200 3HD1 ILE 28 3HD1 ILE 28 -3.431 -24.634 7.255 201 HA PRO 29 HA PRO 29 -10.479 -28.322 5.554 202 1HB PRO 29 1HB PRO 29 -11.835 -29.444 7.653 203 2HB PRO 29 2HB PRO 29 -10.635 -30.328 6.689 204 1HG PRO 29 1HG PRO 29 -10.351 -29.033 9.361 205 2HG PRO 29 2HG PRO 29 -9.702 -30.574 8.782 206 1HD PRO 29 1HD PRO 29 -8.219 -28.296 8.967 207 2HD PRO 29 2HD PRO 29 -7.893 -29.577 7.781 208 HA PRO 30 HA PRO 30 -13.110 -25.014 6.801 209 1HB PRO 30 1HB PRO 30 -15.635 -26.033 6.586 210 2HB PRO 30 2HB PRO 30 -14.627 -25.655 5.177 211 1HG PRO 30 2HG PRO 30 -15.047 -27.884 4.765 212 2HG PRO 30 1HG PRO 30 -15.161 -28.276 6.488 213 1HD PRO 30 1HD PRO 30 -13.033 -29.062 6.174 214 2HD PRO 30 2HD PRO 30 -12.752 -28.022 4.762 215 H GLY 31 H GLY 31 -15.499 -24.953 8.186 216 1HA GLY 31 1HA GLY 31 -16.260 -24.848 10.410 217 2HA GLY 31 2HA GLY 31 -15.863 -26.565 10.440 218 H THR 32 H THR 32 -13.365 -24.187 9.862 219 HA THR 32 HA THR 32 -12.390 -24.560 12.671 220 HB THR 32 HB THR 32 -10.887 -24.791 10.048 221 HG1 THR 32 HG1 THR 32 -12.039 -26.634 10.598 222 1HG2 THR 32 1HG2 THR 32 -9.890 -24.943 12.907 223 2HG2 THR 32 2HG2 THR 32 -8.934 -25.341 11.480 224 3HG2 THR 32 3HG2 THR 32 -9.495 -23.688 11.733 225 HA PRO 33 HA PRO 33 -12.202 -20.106 12.030 226 1HB PRO 33 1HB PRO 33 -11.637 -19.452 14.623 227 2HB PRO 33 2HB PRO 33 -13.272 -19.845 14.058 228 1HG PRO 33 2HG PRO 33 -13.079 -21.441 15.696 229 2HG PRO 33 1HG PRO 33 -11.319 -21.523 15.550 230 1HD PRO 33 1HD PRO 33 -11.722 -23.425 14.363 231 2HD PRO 33 2HD PRO 33 -13.406 -22.968 14.032 232 H PHE 34 H PHE 34 -10.461 -18.587 11.933 233 HA PHE 34 HA PHE 34 -7.852 -19.561 11.468 234 1HB PHE 34 1HB PHE 34 -8.570 -17.456 10.597 235 2HB PHE 34 2HB PHE 34 -9.020 -16.864 12.186 236 HD1 PHE 34 HD1 PHE 34 -7.216 -16.375 13.882 237 HD2 PHE 34 HD2 PHE 34 -6.342 -17.233 9.765 238 HE1 PHE 34 HE1 PHE 34 -4.958 -15.393 14.157 239 HE2 PHE 34 HE2 PHE 34 -4.080 -16.252 10.041 240 HZ PHE 34 HZ PHE 34 -3.389 -15.330 12.238 241 H VAL 35 H VAL 35 -9.419 -18.695 14.480 242 HA VAL 35 HA VAL 35 -7.026 -18.307 16.056 243 HB VAL 35 HB VAL 35 -8.672 -18.579 17.922 244 1HG1 VAL 35 1HG1 VAL 35 -9.259 -16.847 15.535 245 2HG1 VAL 35 2HG1 VAL 35 -10.323 -16.797 16.941 246 3HG1 VAL 35 3HG1 VAL 35 -8.618 -16.383 17.111 247 1HG2 VAL 35 1HG2 VAL 35 -10.083 -20.008 15.845 248 2HG2 VAL 35 2HG2 VAL 35 -10.448 -19.919 17.567 249 3HG2 VAL 35 3HG2 VAL 35 -11.088 -18.699 16.466 250 H ASP 36 H ASP 36 -8.609 -21.129 14.815 251 HA ASP 36 HA ASP 36 -7.312 -22.891 16.840 252 1HB ASP 36 1HB ASP 36 -9.790 -22.894 15.806 253 2HB ASP 36 2HB ASP 36 -8.999 -23.907 14.597 254 H LEU 37 H LEU 37 -6.376 -21.488 13.990 255 HA LEU 37 HA LEU 37 -5.432 -23.547 12.313 256 1HB LEU 37 1HB LEU 37 -4.456 -20.788 13.056 257 2HB LEU 37 2HB LEU 37 -3.620 -21.751 11.836 258 HG LEU 37 HG LEU 37 -6.577 -21.070 11.774 259 1HD1 LEU 37 1HD1 LEU 37 -4.557 -19.306 11.320 260 2HD1 LEU 37 2HD1 LEU 37 -4.720 -20.023 9.716 261 3HD1 LEU 37 3HD1 LEU 37 -6.106 -19.248 10.482 262 1HD2 LEU 37 1HD2 LEU 37 -4.858 -22.916 10.293 263 2HD2 LEU 37 2HD2 LEU 37 -6.619 -22.809 10.330 264 3HD2 LEU 37 3HD2 LEU 37 -5.696 -21.780 9.234 265 H SER 38 H SER 38 -3.031 -24.165 12.092 266 HA SER 38 HA SER 38 -2.120 -25.521 14.440 267 1HB SER 38 2HB SER 38 -0.463 -26.302 13.003 268 2HB SER 38 1HB SER 38 -0.271 -24.737 12.212 269 HG SER 38 HG SER 38 -1.548 -26.685 11.228 270 H ASP 39 H ASP 39 -0.035 -25.098 15.575 271 HA ASP 39 HA ASP 39 0.164 -22.458 16.633 272 1HB ASP 39 1HB ASP 39 1.245 -25.035 17.036 273 2HB ASP 39 2HB ASP 39 2.629 -23.968 16.804 274 H SER 40 H SER 40 1.465 -23.848 13.729 275 HA SER 40 HA SER 40 3.038 -21.338 13.270 276 1HB SER 40 1HB SER 40 3.872 -24.123 13.449 277 2HB SER 40 2HB SER 40 4.310 -23.422 11.892 278 HG SER 40 HG SER 40 4.956 -22.479 14.479 279 H PHE 41 H PHE 41 0.497 -21.427 12.304 280 HA PHE 41 HA PHE 41 0.207 -22.704 9.726 281 1HB PHE 41 1HB PHE 41 -1.751 -22.139 10.941 282 2HB PHE 41 2HB PHE 41 -1.188 -20.514 11.277 283 HD1 PHE 41 HD1 PHE 41 -2.452 -22.765 8.598 284 HD2 PHE 41 HD2 PHE 41 -1.576 -18.717 9.742 285 HE1 PHE 41 HE1 PHE 41 -3.630 -21.937 6.578 286 HE2 PHE 41 HE2 PHE 41 -2.755 -17.891 7.724 287 HZ PHE 41 HZ PHE 41 -3.781 -19.501 6.142 288 H MET 42 H MET 42 1.005 -22.018 7.775 289 HA MET 42 HA MET 42 2.165 -19.256 7.629 290 1HB MET 42 1HB MET 42 2.786 -21.690 5.925 291 2HB MET 42 2HB MET 42 3.710 -20.192 6.016 292 1HG MET 42 1HG MET 42 3.928 -20.750 8.553 293 2HG MET 42 2HG MET 42 3.474 -22.384 8.069 294 1HE MET 42 1HE MET 42 5.683 -19.755 8.487 295 2HE MET 42 2HE MET 42 6.841 -20.955 9.079 296 3HE MET 42 3HE MET 42 7.197 -20.021 7.627 297 H CYS 43 H CYS 43 1.476 -17.923 5.945 298 HA CYS 43 HA CYS 43 -1.060 -18.245 4.760 299 1HB CYS 43 1HB CYS 43 0.430 -16.193 5.017 300 2HB CYS 43 2HB CYS 43 1.297 -16.761 3.592 301 HA PRO 44 HA PRO 44 -0.040 -21.202 1.575 302 1HB PRO 44 1HB PRO 44 -2.433 -21.134 0.252 303 2HB PRO 44 2HB PRO 44 -2.198 -22.006 1.778 304 1HG PRO 44 1HG PRO 44 -3.457 -19.356 1.275 305 2HG PRO 44 2HG PRO 44 -3.910 -20.619 2.429 306 1HD PRO 44 1HD PRO 44 -2.531 -18.338 3.091 307 2HD PRO 44 2HD PRO 44 -2.458 -19.852 4.016 308 H ALA 45 H ALA 45 -0.476 -17.872 1.234 309 HA ALA 45 HA ALA 45 -0.006 -17.994 -1.719 310 1HB ALA 45 2HB ALA 45 -0.813 -15.437 -0.527 311 2HB ALA 45 3HB ALA 45 -1.516 -16.305 -1.892 312 3HB ALA 45 1HB ALA 45 -1.975 -16.732 -0.243 313 H CYS 46 H CYS 46 1.028 -16.476 1.331 314 HA CYS 46 HA CYS 46 3.509 -15.619 -0.105 315 1HB CYS 46 1HB CYS 46 3.334 -13.485 0.797 316 2HB CYS 46 2HB CYS 46 1.637 -13.894 0.592 317 H ARG 47 H ARG 47 2.641 -17.927 1.818 318 HA ARG 47 HA ARG 47 3.591 -19.138 3.611 319 1HB ARG 47 1HB ARG 47 6.023 -17.797 2.390 320 2HB ARG 47 2HB ARG 47 6.023 -19.297 3.318 321 1HG ARG 47 1HG ARG 47 4.497 -20.304 1.617 322 2HG ARG 47 2HG ARG 47 4.618 -18.821 0.671 323 1HD ARG 47 1HD ARG 47 7.154 -19.173 0.681 324 2HD ARG 47 2HD ARG 47 6.826 -20.797 1.314 325 HE ARG 47 HE ARG 47 5.439 -21.193 -0.731 326 1HH1 ARG 47 1HH1 ARG 47 8.356 -19.633 -0.960 327 2HH1 ARG 47 2HH1 ARG 47 8.093 -18.957 -2.533 328 1HH2 ARG 47 1HH2 ARG 47 4.737 -19.818 -2.637 329 2HH2 ARG 47 2HH2 ARG 47 6.046 -19.060 -3.481 330 H SER 48 H SER 48 2.945 -16.147 4.222 331 HA SER 48 HA SER 48 4.993 -15.312 6.120 332 1HB SER 48 1HB SER 48 3.661 -13.617 5.127 333 2HB SER 48 2HB SER 48 2.167 -14.505 5.428 334 HG SER 48 HG SER 48 3.218 -12.660 6.929 335 HA PRO 49 HA PRO 49 3.677 -17.654 9.615 336 1HB PRO 49 1HB PRO 49 4.146 -15.882 11.656 337 2HB PRO 49 2HB PRO 49 5.440 -16.749 10.806 338 1HG PRO 49 2HG PRO 49 6.110 -14.564 10.446 339 2HG PRO 49 1HG PRO 49 4.448 -13.958 10.411 340 1HD PRO 49 1HD PRO 49 4.820 -14.006 8.138 341 2HD PRO 49 2HD PRO 49 6.020 -15.311 8.263 342 H LYS 50 H LYS 50 1.741 -17.983 10.722 343 HA LYS 50 HA LYS 50 -0.618 -16.627 10.102 344 1HB LYS 50 1HB LYS 50 -0.333 -18.848 11.220 345 2HB LYS 50 2HB LYS 50 0.111 -18.008 12.705 346 1HG LYS 50 1HG LYS 50 -2.104 -16.834 12.637 347 2HG LYS 50 2HG LYS 50 -2.543 -17.833 11.250 348 1HD LYS 50 1HD LYS 50 -2.983 -19.622 12.561 349 2HD LYS 50 2HD LYS 50 -1.485 -19.418 13.467 350 1HE LYS 50 1HE LYS 50 -3.902 -17.647 13.918 351 2HE LYS 50 2HE LYS 50 -3.615 -19.130 14.843 352 1HZ LYS 50 1HZ LYS 50 -1.525 -17.055 14.483 353 2HZ LYS 50 2HZ LYS 50 -2.625 -17.000 15.777 354 3HZ LYS 50 3HZ LYS 50 -1.564 -18.317 15.617 355 H ASN 51 H ASN 51 1.801 -15.735 12.495 356 HA ASN 51 HA ASN 51 0.194 -13.938 14.043 357 1HB ASN 51 1HB ASN 51 2.842 -14.861 13.919 358 2HB ASN 51 2HB ASN 51 2.967 -13.117 13.692 359 2HD2 ASN 51 2HD2 ASN 51 1.287 -11.911 15.324 360 1HD2 ASN 51 1HD2 ASN 51 1.384 -12.451 16.930 361 H GLN 52 H GLN 52 1.319 -13.743 10.799 362 HA GLN 52 HA GLN 52 1.275 -10.791 10.701 363 1HB GLN 52 1HB GLN 52 2.431 -12.954 9.271 364 2HB GLN 52 2HB GLN 52 1.343 -12.137 8.149 365 1HG GLN 52 1HG GLN 52 3.479 -10.771 9.819 366 2HG GLN 52 2HG GLN 52 3.618 -11.149 8.101 367 2HE2 GLN 52 2HE2 GLN 52 1.061 -10.453 7.166 368 1HE2 GLN 52 1HE2 GLN 52 0.809 -8.791 7.395 369 H PHE 53 H PHE 53 -1.101 -13.136 10.804 370 HA PHE 53 HA PHE 53 -2.808 -12.018 8.662 371 1HB PHE 53 1HB PHE 53 -2.926 -14.260 10.665 372 2HB PHE 53 2HB PHE 53 -4.389 -13.761 9.818 373 HD1 PHE 53 HD1 PHE 53 -0.796 -14.591 9.123 374 HD2 PHE 53 HD2 PHE 53 -4.861 -14.697 7.736 375 HE1 PHE 53 HE1 PHE 53 -0.081 -15.872 7.122 376 HE2 PHE 53 HE2 PHE 53 -4.146 -15.977 5.736 377 HZ PHE 53 HZ PHE 53 -1.757 -16.564 5.431 378 H LYS 54 H LYS 54 -4.744 -10.887 9.050 379 HA LYS 54 HA LYS 54 -5.229 -9.957 11.859 380 1HB LYS 54 1HB LYS 54 -4.041 -8.368 10.175 381 2HB LYS 54 2HB LYS 54 -5.615 -8.263 9.386 382 1HG LYS 54 1HG LYS 54 -5.811 -7.945 12.283 383 2HG LYS 54 2HG LYS 54 -4.768 -6.726 11.552 384 1HD LYS 54 1HD LYS 54 -6.879 -6.831 9.781 385 2HD LYS 54 2HD LYS 54 -7.680 -7.077 11.333 386 1HE LYS 54 1HE LYS 54 -7.480 -4.862 11.771 387 2HE LYS 54 2HE LYS 54 -5.715 -5.000 11.646 388 1HZ LYS 54 1HZ LYS 54 -6.031 -4.996 9.181 389 2HZ LYS 54 2HZ LYS 54 -7.663 -4.597 9.433 390 3HZ LYS 54 3HZ LYS 54 -6.437 -3.529 9.929 391 H SER 55 H SER 55 -7.387 -10.162 12.454 392 HA SER 55 HA SER 55 -9.231 -11.529 10.706 393 1HB SER 55 1HB SER 55 -10.788 -11.147 12.601 394 2HB SER 55 2HB SER 55 -9.230 -11.749 13.135 395 HG SER 55 HG SER 55 -8.739 -9.852 13.980 396 H ILE 56 H ILE 56 -11.535 -10.589 10.554 397 HA ILE 56 HA ILE 56 -11.684 -7.675 10.079 398 HB ILE 56 HB ILE 56 -10.645 -8.549 8.034 399 1HG1 ILE 56 1HG1 ILE 56 -13.400 -8.235 7.028 400 2HG1 ILE 56 2HG1 ILE 56 -12.887 -6.972 8.148 401 1HG2 ILE 56 1HG2 ILE 56 -12.421 -10.743 8.549 402 2HG2 ILE 56 2HG2 ILE 56 -12.767 -10.103 6.942 403 3HG2 ILE 56 3HG2 ILE 56 -11.135 -10.635 7.347 404 1HD1 ILE 56 1HD1 ILE 56 -11.342 -7.854 5.688 405 2HD1 ILE 56 2HD1 ILE 56 -12.335 -6.400 5.795 406 3HD1 ILE 56 3HD1 ILE 56 -10.886 -6.552 6.789 407 H LYS 57 H LYS 57 -13.224 -8.529 11.933 408 HA LYS 57 HA LYS 57 -15.669 -9.880 11.065 409 1HB LYS 57 1HB LYS 57 -14.360 -8.926 13.518 410 2HB LYS 57 2HB LYS 57 -16.115 -8.744 13.550 411 1HG LYS 57 1HG LYS 57 -16.426 -11.095 13.046 412 2HG LYS 57 2HG LYS 57 -14.696 -11.312 12.784 413 1HD LYS 57 1HD LYS 57 -15.365 -10.142 15.401 414 2HD LYS 57 2HD LYS 57 -15.989 -11.775 15.168 415 1HE LYS 57 1HE LYS 57 -13.687 -11.806 16.128 416 2HE LYS 57 2HE LYS 57 -13.716 -12.540 14.514 417 1HZ LYS 57 1HZ LYS 57 -13.170 -9.661 15.007 418 2HZ LYS 57 2HZ LYS 57 -11.943 -10.824 14.837 419 3HZ LYS 57 3HZ LYS 57 -12.998 -10.502 13.545 420 H LYS 58 H LYS 58 -15.576 -7.840 9.350 421 HA LYS 58 HA LYS 58 -17.527 -5.837 10.442 422 1HB LYS 58 1HB LYS 58 -15.039 -5.534 8.764 423 2HB LYS 58 2HB LYS 58 -16.315 -4.318 8.700 424 1HG LYS 58 1HG LYS 58 -16.174 -4.142 11.207 425 2HG LYS 58 2HG LYS 58 -14.773 -5.213 11.152 426 1HD LYS 58 1HD LYS 58 -13.802 -3.531 9.442 427 2HD LYS 58 2HD LYS 58 -15.052 -2.429 10.021 428 1HE LYS 58 1HE LYS 58 -13.889 -2.002 11.926 429 2HE LYS 58 2HE LYS 58 -13.638 -3.732 12.228 430 1HZ LYS 58 1HZ LYS 58 -12.172 -2.151 10.179 431 2HZ LYS 58 2HZ LYS 58 -11.553 -2.513 11.719 432 3HZ LYS 58 3HZ LYS 58 -11.878 -3.763 10.615 433 H VAL 59 H VAL 59 -19.414 -6.591 9.461 434 HA VAL 59 HA VAL 59 -19.349 -6.826 6.473 435 HB VAL 59 HB VAL 59 -19.442 -9.030 7.578 436 1HG1 VAL 59 1HG1 VAL 59 -21.041 -7.651 9.442 437 2HG1 VAL 59 2HG1 VAL 59 -22.117 -8.814 8.667 438 3HG1 VAL 59 3HG1 VAL 59 -20.640 -9.368 9.455 439 1HG2 VAL 59 1HG2 VAL 59 -21.738 -7.952 6.016 440 2HG2 VAL 59 2HG2 VAL 59 -20.608 -9.243 5.608 441 3HG2 VAL 59 3HG2 VAL 59 -21.933 -9.553 6.730 442 H ILE 60 H ILE 60 -20.407 -4.937 5.897 443 HA ILE 60 HA ILE 60 -22.772 -4.046 7.459 444 HB ILE 60 HB ILE 60 -21.352 -2.806 5.078 445 1HG1 ILE 60 1HG1 ILE 60 -20.957 -2.198 8.021 446 2HG1 ILE 60 2HG1 ILE 60 -19.876 -3.233 7.087 447 1HG2 ILE 60 1HG2 ILE 60 -23.348 -1.803 7.115 448 2HG2 ILE 60 2HG2 ILE 60 -22.343 -0.704 6.170 449 3HG2 ILE 60 3HG2 ILE 60 -23.483 -1.778 5.357 450 1HD1 ILE 60 1HD1 ILE 60 -20.312 -0.827 5.600 451 2HD1 ILE 60 2HD1 ILE 60 -19.876 -0.382 7.251 452 3HD1 ILE 60 3HD1 ILE 60 -18.805 -1.415 6.303 453 H ALA 61 H ALA 61 -23.544 -6.346 6.328 454 HA ALA 61 HA ALA 61 -25.357 -5.471 4.141 455 1HB ALA 61 2HB ALA 61 -24.631 -7.677 2.965 456 2HB ALA 61 3HB ALA 61 -23.542 -6.292 2.869 457 3HB ALA 61 1HB ALA 61 -23.216 -7.592 4.015 458 H GLY 62 H GLY 62 -27.095 -5.810 5.644 459 1HA GLY 62 1HA GLY 62 -27.848 -8.646 5.957 460 2HA GLY 62 2HA GLY 62 -27.676 -7.726 7.453 461 H PHE 63 H PHE 63 -29.817 -7.500 8.079 462 HA PHE 63 HA PHE 63 -31.893 -6.786 6.116 463 1HB PHE 63 1HB PHE 63 -31.806 -8.191 8.463 464 2HB PHE 63 2HB PHE 63 -32.436 -6.641 9.021 465 HD1 PHE 63 HD1 PHE 63 -32.964 -9.372 6.539 466 HD2 PHE 63 HD2 PHE 63 -34.668 -5.974 8.542 467 HE1 PHE 63 HE1 PHE 63 -35.192 -9.943 5.613 468 HE2 PHE 63 HE2 PHE 63 -36.897 -6.546 7.614 469 HZ PHE 63 HZ PHE 63 -37.158 -8.529 6.149 470 H ALA 64 H ALA 64 -32.766 -4.729 5.865 471 HA ALA 64 HA ALA 64 -31.297 -2.480 7.093 472 1HB ALA 64 1HB ALA 64 -32.604 -3.061 4.662 473 2HB ALA 64 3HB ALA 64 -31.850 -1.532 5.117 474 3HB ALA 64 2HB ALA 64 -33.567 -1.794 5.423 475 H GLU 65 H GLU 65 -32.068 -1.357 8.834 476 HA GLU 65 HA GLU 65 -34.969 -1.165 9.346 477 1HB GLU 65 1HB GLU 65 -34.664 -2.163 11.630 478 2HB GLU 65 2HB GLU 65 -34.371 -3.318 10.330 479 1HG GLU 65 1HG GLU 65 -32.034 -3.233 10.617 480 2HG GLU 65 2HG GLU 65 -32.106 -1.706 11.495 481 H ASN 66 H ASN 66 -33.285 0.924 8.711 482 HA ASN 66 HA ASN 66 -32.408 2.187 11.260 483 1HB ASN 66 1HB ASN 66 -31.548 2.123 8.555 484 2HB ASN 66 2HB ASN 66 -32.057 3.780 8.880 485 2HD2 ASN 66 2HD2 ASN 66 -29.738 1.264 9.801 486 1HD2 ASN 66 1HD2 ASN 66 -28.736 2.277 10.725 487 H GLN 67 H GLN 67 -34.712 2.634 8.592 488 HA GLN 67 HA GLN 67 -36.305 4.454 10.316 489 1HB GLN 67 1HB GLN 67 -34.702 5.866 9.078 490 2HB GLN 67 2HB GLN 67 -35.241 5.151 7.558 491 1HG GLN 67 1HG GLN 67 -37.334 6.198 7.658 492 2HG GLN 67 2HG GLN 67 -37.241 6.431 9.404 493 2HE2 GLN 67 2HE2 GLN 67 -37.574 8.424 7.064 494 1HE2 GLN 67 1HE2 GLN 67 -36.372 9.589 7.350 495 H LYS 68 H LYS 68 -37.996 2.893 10.279 496 HA LYS 68 HA LYS 68 -38.927 1.648 7.823 497 1HB LYS 68 1HB LYS 68 -40.749 0.882 9.344 498 2HB LYS 68 2HB LYS 68 -39.151 0.633 10.048 499 1HG LYS 68 1HG LYS 68 -39.945 3.259 10.761 500 2HG LYS 68 2HG LYS 68 -41.336 2.217 11.059 501 1HD LYS 68 1HD LYS 68 -39.932 0.697 12.387 502 2HD LYS 68 2HD LYS 68 -38.519 1.700 12.061 503 1HE LYS 68 1HE LYS 68 -40.322 3.552 13.039 504 2HE LYS 68 2HE LYS 68 -40.689 2.114 14.009 505 1HZ LYS 68 1HZ LYS 68 -37.961 3.194 13.502 506 2HZ LYS 68 2HZ LYS 68 -38.835 3.409 14.944 507 3HZ LYS 68 3HZ LYS 68 -38.340 1.854 14.472 508 H TYR 69 H TYR 69 -41.011 2.072 6.807 509 HA TYR 69 HA TYR 69 -41.760 4.951 6.886 510 1HB TYR 69 1HB TYR 69 -41.165 3.813 4.760 511 2HB TYR 69 2HB TYR 69 -42.494 2.680 5.009 512 HD1 TYR 69 HD1 TYR 69 -44.852 3.478 4.964 513 HD2 TYR 69 HD2 TYR 69 -41.560 6.068 4.013 514 HE1 TYR 69 HE1 TYR 69 -46.421 5.091 3.920 515 HE2 TYR 69 HE2 TYR 69 -43.129 7.680 2.970 516 HH TYR 69 HH TYR 69 -46.492 7.502 3.390 517 H GLY 70 H GLY 70 -43.207 5.177 8.626 518 1HA GLY 70 1HA GLY 70 -45.537 3.306 8.686 519 2HA GLY 70 2HA GLY 70 -44.976 4.242 10.072 No H/Q in entry = 519 Start of MODEL 21 1 H1 MET 1 1H MET 1 -16.603 -2.020 2.180 2 H2 MET 1 2H MET 1 -15.171 -2.726 1.602 3 H3 MET 1 3H MET 1 -16.668 -3.478 1.315 4 HA MET 1 HA MET 1 -15.449 -4.607 3.099 5 1HB MET 1 1HB MET 1 -14.981 -1.829 3.696 6 2HB MET 1 2HB MET 1 -15.692 -2.611 5.107 7 1HG MET 1 1HG MET 1 -13.345 -2.948 5.329 8 2HG MET 1 2HG MET 1 -13.973 -4.483 4.733 9 1HE MET 1 1HE MET 1 -11.609 -4.663 4.682 10 2HE MET 1 2HE MET 1 -11.053 -5.033 3.044 11 3HE MET 1 3HE MET 1 -10.493 -3.576 3.859 12 H GLU 2 H GLU 2 -17.087 -5.915 3.781 13 HA GLU 2 HA GLU 2 -19.174 -4.995 5.559 14 1HB GLU 2 1HB GLU 2 -19.869 -4.052 3.330 15 2HB GLU 2 2HB GLU 2 -19.978 -5.703 2.719 16 1HG GLU 2 1HG GLU 2 -21.391 -5.561 5.210 17 2HG GLU 2 2HG GLU 2 -21.946 -4.244 4.177 18 H ILE 3 H ILE 3 -17.713 -6.984 6.262 19 HA ILE 3 HA ILE 3 -19.394 -9.384 6.000 20 HB ILE 3 HB ILE 3 -18.064 -9.597 4.016 21 1HG1 ILE 3 1HG1 ILE 3 -16.687 -11.247 6.140 22 2HG1 ILE 3 2HG1 ILE 3 -18.259 -11.638 5.442 23 1HG2 ILE 3 1HG2 ILE 3 -16.125 -8.179 5.565 24 2HG2 ILE 3 2HG2 ILE 3 -15.388 -9.680 5.005 25 3HG2 ILE 3 3HG2 ILE 3 -16.079 -8.548 3.841 26 1HD1 ILE 3 1HD1 ILE 3 -16.960 -11.382 3.155 27 2HD1 ILE 3 2HD1 ILE 3 -15.545 -11.694 4.161 28 3HD1 ILE 3 3HD1 ILE 3 -16.844 -12.884 4.073 29 H ASP 4 H ASP 4 -18.442 -11.173 7.361 30 HA ASP 4 HA ASP 4 -16.337 -10.788 9.232 31 1HB ASP 4 1HB ASP 4 -17.764 -10.312 11.234 32 2HB ASP 4 2HB ASP 4 -17.687 -8.966 10.098 33 H GLU 5 H GLU 5 -15.918 -12.897 9.375 34 HA GLU 5 HA GLU 5 -17.696 -14.741 10.729 35 1HB GLU 5 1HB GLU 5 -18.357 -14.316 8.131 36 2HB GLU 5 2HB GLU 5 -17.197 -15.629 7.935 37 1HG GLU 5 1HG GLU 5 -18.863 -16.291 10.149 38 2HG GLU 5 2HG GLU 5 -19.918 -15.778 8.832 39 H GLY 6 H GLY 6 -15.300 -14.398 11.631 40 1HA GLY 6 1HA GLY 6 -13.203 -15.366 12.050 41 2HA GLY 6 2HA GLY 6 -13.904 -16.846 11.406 42 H LYS 7 H LYS 7 -13.861 -14.075 9.324 43 HA LYS 7 HA LYS 7 -11.994 -15.466 7.509 44 1HB LYS 7 1HB LYS 7 -13.863 -13.111 7.431 45 2HB LYS 7 2HB LYS 7 -12.641 -13.284 6.171 46 1HG LYS 7 1HG LYS 7 -13.474 -15.540 5.653 47 2HG LYS 7 2HG LYS 7 -14.675 -15.401 6.937 48 1HD LYS 7 1HD LYS 7 -15.543 -13.332 5.739 49 2HD LYS 7 2HD LYS 7 -14.499 -13.776 4.389 50 1HE LYS 7 1HE LYS 7 -16.101 -16.038 5.358 51 2HE LYS 7 2HE LYS 7 -17.091 -14.694 4.757 52 1HZ LYS 7 1HZ LYS 7 -14.676 -15.595 3.305 53 2HZ LYS 7 2HZ LYS 7 -16.170 -16.358 3.051 54 3HZ LYS 7 3HZ LYS 7 -15.995 -14.701 2.716 55 H TYR 8 H TYR 8 -9.843 -14.909 7.334 56 HA TYR 8 HA TYR 8 -8.971 -12.359 8.662 57 1HB TYR 8 1HB TYR 8 -7.887 -15.170 8.619 58 2HB TYR 8 2HB TYR 8 -6.810 -13.814 8.951 59 HD1 TYR 8 HD1 TYR 8 -10.139 -15.196 9.987 60 HD2 TYR 8 HD2 TYR 8 -6.616 -13.023 11.138 61 HE1 TYR 8 HE1 TYR 8 -10.956 -15.120 12.327 62 HE2 TYR 8 HE2 TYR 8 -7.436 -12.936 13.478 63 HH TYR 8 HH TYR 8 -9.298 -13.221 14.785 64 H GLU 9 H GLU 9 -7.585 -11.051 7.478 65 HA GLU 9 HA GLU 9 -6.863 -12.003 4.733 66 1HB GLU 9 1HB GLU 9 -6.798 -9.539 4.253 67 2HB GLU 9 2HB GLU 9 -8.374 -10.088 4.819 68 1HG GLU 9 1HG GLU 9 -8.257 -8.795 6.668 69 2HG GLU 9 2HG GLU 9 -6.620 -9.341 7.029 70 H CYS 10 H CYS 10 -4.681 -11.904 4.109 71 HA CYS 10 HA CYS 10 -2.684 -11.658 6.238 72 1HB CYS 10 1HB CYS 10 -2.828 -13.249 4.166 73 2HB CYS 10 2HB CYS 10 -2.157 -11.885 3.291 74 H GLU 11 H GLU 11 -2.018 -9.614 6.835 75 HA GLU 11 HA GLU 11 -2.267 -7.293 5.112 76 1HB GLU 11 1HB GLU 11 -1.574 -7.992 7.812 77 2HB GLU 11 2HB GLU 11 -0.334 -6.915 7.173 78 1HG GLU 11 1HG GLU 11 -2.933 -5.970 6.361 79 2HG GLU 11 2HG GLU 11 -2.916 -6.208 8.108 80 H ALA 12 H ALA 12 -0.013 -9.865 5.254 81 HA ALA 12 HA ALA 12 2.321 -8.332 4.356 82 1HB ALA 12 1HB ALA 12 1.597 -11.140 5.061 83 2HB ALA 12 2HB ALA 12 3.022 -10.894 4.052 84 3HB ALA 12 3HB ALA 12 2.930 -10.145 5.647 85 H CYS 13 H CYS 13 0.016 -10.667 2.838 86 HA CYS 13 HA CYS 13 1.177 -9.796 0.216 87 1HB CYS 13 2HB CYS 13 1.632 -12.155 1.081 88 2HB CYS 13 1HB CYS 13 0.964 -12.046 -0.543 89 H GLY 14 H GLY 14 -1.808 -10.635 1.938 90 1HA GLY 14 1HA GLY 14 -3.778 -9.196 1.384 91 2HA GLY 14 2HA GLY 14 -3.303 -9.336 -0.307 92 H TYR 15 H TYR 15 -3.007 -12.167 1.650 93 HA TYR 15 HA TYR 15 -5.048 -13.543 0.036 94 1HB TYR 15 1HB TYR 15 -2.912 -14.605 0.529 95 2HB TYR 15 2HB TYR 15 -3.154 -14.374 2.259 96 HD1 TYR 15 HD1 TYR 15 -4.772 -15.728 3.503 97 HD2 TYR 15 HD2 TYR 15 -4.152 -16.313 -0.707 98 HE1 TYR 15 HE1 TYR 15 -5.976 -17.891 3.627 99 HE2 TYR 15 HE2 TYR 15 -5.356 -18.478 -0.583 100 HH TYR 15 HH TYR 15 -5.771 -20.215 1.795 101 H ILE 16 H ILE 16 -6.775 -14.838 1.145 102 HA ILE 16 HA ILE 16 -7.646 -13.603 3.738 103 HB ILE 16 HB ILE 16 -9.197 -14.240 1.210 104 1HG1 ILE 16 2HG1 ILE 16 -8.484 -11.736 2.735 105 2HG1 ILE 16 1HG1 ILE 16 -9.847 -11.768 1.618 106 1HG2 ILE 16 1HG2 ILE 16 -10.092 -13.950 4.031 107 2HG2 ILE 16 2HG2 ILE 16 -11.025 -13.061 2.826 108 3HG2 ILE 16 3HG2 ILE 16 -10.853 -14.813 2.694 109 1HD1 ILE 16 1HD1 ILE 16 -7.721 -13.001 0.243 110 2HD1 ILE 16 2HD1 ILE 16 -8.388 -11.396 -0.058 111 3HD1 ILE 16 3HD1 ILE 16 -7.016 -11.591 1.034 112 H TYR 17 H TYR 17 -7.573 -15.221 5.244 113 HA TYR 17 HA TYR 17 -7.705 -18.045 4.523 114 1HB TYR 17 1HB TYR 17 -6.295 -17.304 6.336 115 2HB TYR 17 2HB TYR 17 -7.638 -16.470 7.114 116 HD1 TYR 17 HD1 TYR 17 -6.399 -19.849 6.122 117 HD2 TYR 17 HD2 TYR 17 -9.072 -17.603 8.627 118 HE1 TYR 17 HE1 TYR 17 -6.963 -21.914 7.375 119 HE2 TYR 17 HE2 TYR 17 -9.636 -19.669 9.876 120 HH TYR 17 HH TYR 17 -9.590 -22.232 9.305 121 H GLU 18 H GLU 18 -9.531 -19.294 4.463 122 HA GLU 18 HA GLU 18 -12.086 -18.097 5.461 123 1HB GLU 18 1HB GLU 18 -11.462 -20.216 3.378 124 2HB GLU 18 2HB GLU 18 -13.089 -19.685 3.805 125 1HG GLU 18 1HG GLU 18 -11.699 -17.310 3.335 126 2HG GLU 18 2HG GLU 18 -11.122 -18.400 2.076 127 HA PRO 19 HA PRO 19 -11.558 -21.363 8.515 128 1HB PRO 19 1HB PRO 19 -13.724 -20.675 10.046 129 2HB PRO 19 2HB PRO 19 -12.157 -19.870 10.148 130 1HG PRO 19 1HG PRO 19 -14.644 -18.982 8.798 131 2HG PRO 19 2HG PRO 19 -13.426 -18.037 9.660 132 1HD PRO 19 1HD PRO 19 -13.596 -18.200 6.925 133 2HD PRO 19 2HD PRO 19 -12.107 -17.819 7.813 134 H GLU 20 H GLU 20 -14.960 -20.577 7.885 135 HA GLU 20 HA GLU 20 -16.091 -23.109 8.099 136 1HB GLU 20 1HB GLU 20 -16.902 -20.611 7.392 137 2HB GLU 20 2HB GLU 20 -17.038 -21.438 5.841 138 1HG GLU 20 1HG GLU 20 -18.846 -22.613 6.522 139 2HG GLU 20 2HG GLU 20 -18.075 -23.049 8.047 140 H LYS 21 H LYS 21 -14.048 -21.926 5.496 141 HA LYS 21 HA LYS 21 -14.747 -24.266 3.796 142 1HB LYS 21 1HB LYS 21 -14.470 -21.726 3.129 143 2HB LYS 21 2HB LYS 21 -12.755 -22.133 3.095 144 1HG LYS 21 1HG LYS 21 -12.972 -23.328 1.182 145 2HG LYS 21 2HG LYS 21 -14.431 -24.133 1.757 146 1HD LYS 21 1HD LYS 21 -15.643 -21.916 1.312 147 2HD LYS 21 2HD LYS 21 -14.198 -21.429 0.425 148 1HE LYS 21 1HE LYS 21 -15.337 -22.413 -1.331 149 2HE LYS 21 2HE LYS 21 -14.612 -23.889 -0.665 150 1HZ LYS 21 1HZ LYS 21 -17.144 -22.799 0.409 151 2HZ LYS 21 2HZ LYS 21 -17.150 -23.825 -0.945 152 3HZ LYS 21 3HZ LYS 21 -16.534 -24.380 0.534 153 H GLY 22 H GLY 22 -11.957 -22.792 5.441 154 1HA GLY 22 1HA GLY 22 -10.168 -24.062 6.433 155 2HA GLY 22 2HA GLY 22 -10.644 -25.449 5.455 156 H ASP 23 H ASP 23 -7.985 -24.126 5.762 157 HA ASP 23 HA ASP 23 -7.440 -22.851 3.171 158 1HB ASP 23 1HB ASP 23 -6.404 -22.660 5.678 159 2HB ASP 23 2HB ASP 23 -5.257 -23.786 4.952 160 H LYS 24 H LYS 24 -8.411 -25.143 2.356 161 HA LYS 24 HA LYS 24 -7.076 -27.565 2.345 162 1HB LYS 24 1HB LYS 24 -8.865 -26.058 0.640 163 2HB LYS 24 2HB LYS 24 -7.784 -27.052 -0.336 164 1HG LYS 24 1HG LYS 24 -9.040 -28.291 2.081 165 2HG LYS 24 2HG LYS 24 -10.047 -28.048 0.653 166 1HD LYS 24 1HD LYS 24 -8.485 -29.318 -0.718 167 2HD LYS 24 2HD LYS 24 -7.363 -29.460 0.635 168 1HE LYS 24 1HE LYS 24 -8.542 -31.534 0.628 169 2HE LYS 24 2HE LYS 24 -9.362 -30.585 1.883 170 1HZ LYS 24 1HZ LYS 24 -10.883 -29.773 0.117 171 2HZ LYS 24 2HZ LYS 24 -10.165 -30.864 -0.969 172 3HZ LYS 24 3HZ LYS 24 -11.013 -31.442 0.384 173 H PHE 25 H PHE 25 -5.992 -24.583 0.817 174 HA PHE 25 HA PHE 25 -3.995 -25.760 -0.910 175 1HB PHE 25 1HB PHE 25 -5.088 -23.406 -0.880 176 2HB PHE 25 2HB PHE 25 -3.888 -23.017 0.351 177 HD1 PHE 25 HD1 PHE 25 -1.422 -23.359 -0.191 178 HD2 PHE 25 HD2 PHE 25 -4.506 -23.477 -3.180 179 HE1 PHE 25 HE1 PHE 25 0.281 -23.017 -1.962 180 HE2 PHE 25 HE2 PHE 25 -2.802 -23.133 -4.950 181 HZ PHE 25 HZ PHE 25 -0.409 -22.904 -4.341 182 H ALA 26 H ALA 26 -4.076 -24.856 2.486 183 HA ALA 26 HA ALA 26 -1.147 -25.358 2.752 184 1HB ALA 26 3HB ALA 26 -1.635 -23.421 3.913 185 2HB ALA 26 1HB ALA 26 -3.294 -23.920 4.245 186 3HB ALA 26 2HB ALA 26 -1.965 -24.584 5.196 187 H GLY 27 H GLY 27 -4.300 -26.650 3.612 188 1HA GLY 27 1HA GLY 27 -4.271 -29.166 3.915 189 2HA GLY 27 2HA GLY 27 -2.922 -28.903 5.017 190 H ILE 28 H ILE 28 -5.685 -26.718 4.953 191 HA ILE 28 HA ILE 28 -6.464 -27.784 7.644 192 HB ILE 28 HB ILE 28 -6.410 -25.009 6.435 193 1HG1 ILE 28 1HG1 ILE 28 -5.235 -25.649 9.081 194 2HG1 ILE 28 2HG1 ILE 28 -4.441 -26.385 7.688 195 1HG2 ILE 28 1HG2 ILE 28 -7.571 -25.900 9.095 196 2HG2 ILE 28 2HG2 ILE 28 -7.342 -24.222 8.599 197 3HG2 ILE 28 3HG2 ILE 28 -8.486 -25.249 7.734 198 1HD1 ILE 28 1HD1 ILE 28 -5.172 -23.498 7.488 199 2HD1 ILE 28 2HD1 ILE 28 -3.811 -23.921 8.529 200 3HD1 ILE 28 3HD1 ILE 28 -3.783 -24.357 6.820 201 HA PRO 29 HA PRO 29 -10.243 -28.611 5.347 202 1HB PRO 29 1HB PRO 29 -11.590 -29.809 7.408 203 2HB PRO 29 2HB PRO 29 -10.359 -30.644 6.442 204 1HG PRO 29 2HG PRO 29 -9.437 -30.907 8.537 205 2HG PRO 29 1HG PRO 29 -10.138 -29.399 9.143 206 1HD PRO 29 1HD PRO 29 -8.030 -28.583 8.790 207 2HD PRO 29 2HD PRO 29 -7.643 -29.835 7.590 208 HA PRO 30 HA PRO 30 -12.978 -25.396 6.621 209 1HB PRO 30 1HB PRO 30 -15.471 -26.501 6.428 210 2HB PRO 30 2HB PRO 30 -14.494 -26.075 5.009 211 1HG PRO 30 2HG PRO 30 -14.856 -28.319 4.597 212 2HG PRO 30 1HG PRO 30 -14.894 -28.725 6.319 213 1HD PRO 30 1HD PRO 30 -12.745 -29.423 5.893 214 2HD PRO 30 2HD PRO 30 -12.550 -28.307 4.525 215 H GLY 31 H GLY 31 -15.351 -25.423 8.032 216 1HA GLY 31 1HA GLY 31 -16.094 -25.363 10.266 217 2HA GLY 31 2HA GLY 31 -15.626 -27.064 10.282 218 H THR 32 H THR 32 -13.258 -24.546 9.698 219 HA THR 32 HA THR 32 -12.205 -24.936 12.478 220 HB THR 32 HB THR 32 -10.736 -24.966 9.824 221 HG1 THR 32 HG1 THR 32 -11.161 -26.924 11.830 222 1HG2 THR 32 1HG2 THR 32 -9.841 -24.486 12.581 223 2HG2 THR 32 2HG2 THR 32 -8.970 -25.789 11.771 224 3HG2 THR 32 3HG2 THR 32 -9.008 -24.177 11.057 225 HA PRO 33 HA PRO 33 -12.356 -20.455 11.981 226 1HB PRO 33 1HB PRO 33 -11.804 -19.858 14.593 227 2HB PRO 33 2HB PRO 33 -13.418 -20.332 14.030 228 1HG PRO 33 2HG PRO 33 -13.096 -21.963 15.618 229 2HG PRO 33 1HG PRO 33 -11.339 -21.948 15.421 230 1HD PRO 33 1HD PRO 33 -11.706 -23.837 14.189 231 2HD PRO 33 2HD PRO 33 -13.401 -23.413 13.875 232 H PHE 34 H PHE 34 -10.700 -18.872 11.823 233 HA PHE 34 HA PHE 34 -8.042 -19.668 11.351 234 1HB PHE 34 1HB PHE 34 -8.901 -17.582 10.543 235 2HB PHE 34 2HB PHE 34 -9.342 -17.053 12.156 236 HD1 PHE 34 HD1 PHE 34 -7.634 -16.271 13.743 237 HD2 PHE 34 HD2 PHE 34 -6.594 -17.480 9.754 238 HE1 PHE 34 HE1 PHE 34 -5.415 -15.194 13.996 239 HE2 PHE 34 HE2 PHE 34 -4.374 -16.403 10.008 240 HZ PHE 34 HZ PHE 34 -3.785 -15.259 12.129 241 H VAL 35 H VAL 35 -9.610 -18.759 14.373 242 HA VAL 35 HA VAL 35 -7.247 -18.362 15.956 243 HB VAL 35 HB VAL 35 -8.874 -18.657 17.813 244 1HG1 VAL 35 1HG1 VAL 35 -9.056 -16.828 15.606 245 2HG1 VAL 35 2HG1 VAL 35 -10.682 -17.163 16.201 246 3HG1 VAL 35 3HG1 VAL 35 -9.451 -16.541 17.301 247 1HG2 VAL 35 1HG2 VAL 35 -10.183 -20.271 15.831 248 2HG2 VAL 35 2HG2 VAL 35 -10.603 -20.069 17.532 249 3HG2 VAL 35 3HG2 VAL 35 -11.275 -18.976 16.323 250 H ASP 36 H ASP 36 -8.573 -21.220 14.589 251 HA ASP 36 HA ASP 36 -7.314 -22.956 16.666 252 1HB ASP 36 1HB ASP 36 -9.743 -23.055 15.507 253 2HB ASP 36 2HB ASP 36 -8.845 -24.033 14.347 254 H LEU 37 H LEU 37 -6.470 -21.529 13.736 255 HA LEU 37 HA LEU 37 -5.294 -23.536 12.167 256 1HB LEU 37 1HB LEU 37 -4.631 -20.672 12.825 257 2HB LEU 37 2HB LEU 37 -3.594 -21.586 11.731 258 HG LEU 37 HG LEU 37 -6.580 -21.157 11.400 259 1HD1 LEU 37 1HD1 LEU 37 -5.199 -19.150 10.938 260 2HD1 LEU 37 2HD1 LEU 37 -4.218 -20.095 9.819 261 3HD1 LEU 37 3HD1 LEU 37 -5.919 -19.795 9.463 262 1HD2 LEU 37 1HD2 LEU 37 -4.768 -23.127 10.320 263 2HD2 LEU 37 2HD2 LEU 37 -6.500 -22.952 10.043 264 3HD2 LEU 37 3HD2 LEU 37 -5.354 -22.082 9.025 265 H SER 38 H SER 38 -2.802 -23.858 12.001 266 HA SER 38 HA SER 38 -1.843 -25.125 14.385 267 1HB SER 38 2HB SER 38 0.132 -25.497 13.040 268 2HB SER 38 1HB SER 38 -0.257 -24.128 11.999 269 HG SER 38 HG SER 38 -1.681 -26.560 12.272 270 H ASP 39 H ASP 39 -0.156 -24.453 15.820 271 HA ASP 39 HA ASP 39 -0.150 -21.751 16.677 272 1HB ASP 39 1HB ASP 39 0.758 -24.151 17.582 273 2HB ASP 39 2HB ASP 39 2.284 -23.392 17.127 274 H SER 40 H SER 40 1.635 -23.310 14.123 275 HA SER 40 HA SER 40 3.143 -20.757 13.664 276 1HB SER 40 1HB SER 40 4.866 -22.496 12.688 277 2HB SER 40 2HB SER 40 4.785 -22.245 14.432 278 HG SER 40 HG SER 40 4.377 -24.288 14.526 279 H PHE 41 H PHE 41 0.595 -21.517 12.498 280 HA PHE 41 HA PHE 41 0.798 -22.764 9.948 281 1HB PHE 41 1HB PHE 41 -1.336 -22.416 10.937 282 2HB PHE 41 2HB PHE 41 -1.029 -20.713 11.213 283 HD1 PHE 41 HD1 PHE 41 -1.818 -23.264 8.647 284 HD2 PHE 41 HD2 PHE 41 -1.336 -19.073 9.463 285 HE1 PHE 41 HE1 PHE 41 -2.850 -22.715 6.457 286 HE2 PHE 41 HE2 PHE 41 -2.371 -18.528 7.277 287 HZ PHE 41 HZ PHE 41 -3.127 -20.349 5.774 288 H MET 42 H MET 42 1.519 -22.012 7.983 289 HA MET 42 HA MET 42 2.530 -19.195 7.864 290 1HB MET 42 1HB MET 42 3.253 -21.674 6.264 291 2HB MET 42 2HB MET 42 4.051 -20.106 6.143 292 1HG MET 42 1HG MET 42 4.006 -20.809 8.901 293 2HG MET 42 2HG MET 42 4.554 -22.233 8.015 294 1HE MET 42 1HE MET 42 5.410 -19.936 10.011 295 2HE MET 42 2HE MET 42 7.109 -19.557 9.743 296 3HE MET 42 3HE MET 42 5.866 -18.459 9.151 297 H CYS 43 H CYS 43 1.985 -17.948 5.987 298 HA CYS 43 HA CYS 43 -0.610 -18.322 4.878 299 1HB CYS 43 1HB CYS 43 0.825 -16.229 5.074 300 2HB CYS 43 2HB CYS 43 1.709 -16.810 3.663 301 HA PRO 44 HA PRO 44 0.410 -21.314 1.743 302 1HB PRO 44 1HB PRO 44 -1.954 -21.241 0.372 303 2HB PRO 44 2HB PRO 44 -1.768 -22.070 1.928 304 1HG PRO 44 2HG PRO 44 -3.455 -20.635 2.517 305 2HG PRO 44 1HG PRO 44 -2.983 -19.429 1.313 306 1HD PRO 44 1HD PRO 44 -2.040 -18.331 3.065 307 2HD PRO 44 2HD PRO 44 -2.044 -19.781 4.087 308 H ALA 45 H ALA 45 -0.005 -17.989 1.308 309 HA ALA 45 HA ALA 45 0.576 -18.183 -1.624 310 1HB ALA 45 3HB ALA 45 -1.519 -17.077 -1.167 311 2HB ALA 45 2HB ALA 45 -0.358 -15.821 -1.598 312 3HB ALA 45 1HB ALA 45 -0.780 -16.089 0.092 313 H CYS 46 H CYS 46 1.422 -16.496 1.398 314 HA CYS 46 HA CYS 46 3.987 -15.709 0.081 315 1HB CYS 46 1HB CYS 46 3.753 -13.550 0.907 316 2HB CYS 46 2HB CYS 46 2.073 -13.979 0.626 317 H ARG 47 H ARG 47 2.870 -17.862 2.188 318 HA ARG 47 HA ARG 47 3.798 -19.073 3.976 319 1HB ARG 47 1HB ARG 47 5.586 -18.893 2.109 320 2HB ARG 47 2HB ARG 47 6.389 -17.755 3.192 321 1HG ARG 47 1HG ARG 47 7.087 -19.410 4.570 322 2HG ARG 47 2HG ARG 47 5.499 -20.180 4.572 323 1HD ARG 47 1HD ARG 47 6.196 -20.869 2.097 324 2HD ARG 47 2HD ARG 47 7.832 -20.657 2.749 325 HE ARG 47 HE ARG 47 6.630 -22.104 4.730 326 1HH1 ARG 47 1HH1 ARG 47 4.611 -23.118 2.802 327 2HH1 ARG 47 2HH1 ARG 47 5.374 -24.538 2.168 328 1HH2 ARG 47 1HH2 ARG 47 8.541 -23.646 3.265 329 2HH2 ARG 47 2HH2 ARG 47 7.600 -24.835 2.427 330 H SER 48 H SER 48 3.236 -15.946 4.383 331 HA SER 48 HA SER 48 5.078 -15.115 6.440 332 1HB SER 48 1HB SER 48 2.330 -14.349 5.496 333 2HB SER 48 2HB SER 48 2.945 -13.658 6.994 334 HG SER 48 HG SER 48 4.714 -12.864 5.872 335 HA PRO 49 HA PRO 49 3.608 -17.311 9.950 336 1HB PRO 49 1HB PRO 49 3.575 -15.400 11.912 337 2HB PRO 49 2HB PRO 49 5.071 -16.108 11.272 338 1HG PRO 49 1HG PRO 49 3.768 -13.504 10.615 339 2HG PRO 49 2HG PRO 49 5.483 -13.877 10.846 340 1HD PRO 49 1HD PRO 49 4.344 -13.594 8.396 341 2HD PRO 49 2HD PRO 49 5.726 -14.668 8.700 342 H LYS 50 H LYS 50 1.623 -17.823 10.947 343 HA LYS 50 HA LYS 50 -0.795 -16.811 9.930 344 1HB LYS 50 1HB LYS 50 -0.397 -18.954 11.162 345 2HB LYS 50 2HB LYS 50 -0.251 -18.030 12.657 346 1HG LYS 50 1HG LYS 50 -2.601 -17.057 11.861 347 2HG LYS 50 2HG LYS 50 -2.678 -18.596 11.003 348 1HD LYS 50 1HD LYS 50 -2.552 -19.850 12.999 349 2HD LYS 50 2HD LYS 50 -1.916 -18.486 13.919 350 1HE LYS 50 1HE LYS 50 -4.063 -17.348 13.828 351 2HE LYS 50 2HE LYS 50 -4.716 -18.587 12.740 352 1HZ LYS 50 1HZ LYS 50 -3.941 -20.200 14.580 353 2HZ LYS 50 2HZ LYS 50 -3.942 -18.828 15.583 354 3HZ LYS 50 3HZ LYS 50 -5.377 -19.332 14.825 355 H ASN 51 H ASN 51 1.108 -15.658 12.687 356 HA ASN 51 HA ASN 51 -0.902 -13.960 13.823 357 1HB ASN 51 1HB ASN 51 1.128 -12.806 14.785 358 2HB ASN 51 2HB ASN 51 1.135 -14.555 15.007 359 2HD2 ASN 51 2HD2 ASN 51 3.358 -15.046 14.876 360 1HD2 ASN 51 1HD2 ASN 51 4.346 -14.631 13.560 361 H GLN 52 H GLN 52 0.815 -13.757 10.846 362 HA GLN 52 HA GLN 52 0.699 -10.837 10.612 363 1HB GLN 52 1HB GLN 52 2.034 -12.982 9.402 364 2HB GLN 52 2HB GLN 52 0.955 -12.376 8.145 365 1HG GLN 52 1HG GLN 52 2.912 -10.708 9.760 366 2HG GLN 52 2HG GLN 52 3.122 -11.200 8.079 367 2HE2 GLN 52 2HE2 GLN 52 0.588 -10.755 7.002 368 1HE2 GLN 52 1HE2 GLN 52 0.187 -9.112 7.122 369 H PHE 53 H PHE 53 -1.590 -13.348 10.393 370 HA PHE 53 HA PHE 53 -3.203 -12.188 8.226 371 1HB PHE 53 1HB PHE 53 -3.450 -14.423 10.235 372 2HB PHE 53 2HB PHE 53 -4.846 -13.926 9.285 373 HD1 PHE 53 HD1 PHE 53 -1.182 -14.332 8.506 374 HD2 PHE 53 HD2 PHE 53 -5.233 -15.368 7.515 375 HE1 PHE 53 HE1 PHE 53 -0.372 -15.660 6.578 376 HE2 PHE 53 HE2 PHE 53 -4.419 -16.697 5.587 377 HZ PHE 53 HZ PHE 53 -1.990 -16.844 5.121 378 H LYS 54 H LYS 54 -4.571 -10.480 8.562 379 HA LYS 54 HA LYS 54 -5.315 -9.790 11.374 380 1HB LYS 54 1HB LYS 54 -4.129 -8.122 9.954 381 2HB LYS 54 2HB LYS 54 -5.450 -8.201 8.786 382 1HG LYS 54 1HG LYS 54 -6.835 -7.736 11.089 383 2HG LYS 54 2HG LYS 54 -5.338 -6.868 11.428 384 1HD LYS 54 1HD LYS 54 -5.896 -6.179 8.795 385 2HD LYS 54 2HD LYS 54 -7.486 -6.206 9.556 386 1HE LYS 54 1HE LYS 54 -5.399 -4.911 11.196 387 2HE LYS 54 2HE LYS 54 -5.770 -4.068 9.680 388 1HZ LYS 54 1HZ LYS 54 -8.145 -4.316 10.217 389 2HZ LYS 54 2HZ LYS 54 -7.732 -5.007 11.712 390 3HZ LYS 54 3HZ LYS 54 -7.329 -3.393 11.386 391 H SER 55 H SER 55 -7.392 -10.305 11.982 392 HA SER 55 HA SER 55 -9.313 -11.570 10.374 393 1HB SER 55 1HB SER 55 -9.676 -11.657 12.676 394 2HB SER 55 2HB SER 55 -9.356 -9.941 12.885 395 HG SER 55 HG SER 55 -11.678 -11.052 12.709 396 H ILE 56 H ILE 56 -11.610 -10.449 10.095 397 HA ILE 56 HA ILE 56 -11.486 -7.643 9.197 398 HB ILE 56 HB ILE 56 -10.465 -8.932 7.351 399 1HG1 ILE 56 1HG1 ILE 56 -13.190 -8.325 6.298 400 2HG1 ILE 56 2HG1 ILE 56 -12.320 -7.013 7.095 401 1HG2 ILE 56 1HG2 ILE 56 -12.684 -10.716 7.986 402 2HG2 ILE 56 2HG2 ILE 56 -12.605 -10.354 6.261 403 3HG2 ILE 56 3HG2 ILE 56 -11.206 -11.048 7.081 404 1HD1 ILE 56 1HD1 ILE 56 -10.690 -8.596 5.208 405 2HD1 ILE 56 2HD1 ILE 56 -12.006 -7.691 4.459 406 3HD1 ILE 56 3HD1 ILE 56 -10.789 -6.847 5.418 407 H LYS 57 H LYS 57 -13.142 -8.109 11.095 408 HA LYS 57 HA LYS 57 -15.747 -9.095 10.023 409 1HB LYS 57 1HB LYS 57 -16.339 -9.104 12.453 410 2HB LYS 57 2HB LYS 57 -14.902 -10.068 12.108 411 1HG LYS 57 1HG LYS 57 -13.583 -8.722 13.357 412 2HG LYS 57 2HG LYS 57 -14.267 -7.262 12.642 413 1HD LYS 57 1HD LYS 57 -15.781 -6.999 14.327 414 2HD LYS 57 2HD LYS 57 -16.080 -8.732 14.459 415 1HE LYS 57 1HE LYS 57 -14.609 -8.918 16.180 416 2HE LYS 57 2HE LYS 57 -13.360 -8.035 15.281 417 1HZ LYS 57 1HZ LYS 57 -14.802 -6.000 15.718 418 2HZ LYS 57 2HZ LYS 57 -15.593 -6.940 16.892 419 3HZ LYS 57 3HZ LYS 57 -13.935 -6.617 17.043 420 H LYS 58 H LYS 58 -15.383 -6.790 8.805 421 HA LYS 58 HA LYS 58 -16.523 -4.613 10.510 422 1HB LYS 58 1HB LYS 58 -14.613 -4.846 8.301 423 2HB LYS 58 2HB LYS 58 -15.807 -3.576 8.030 424 1HG LYS 58 1HG LYS 58 -14.898 -3.530 10.778 425 2HG LYS 58 2HG LYS 58 -13.524 -3.431 9.677 426 1HD LYS 58 1HD LYS 58 -15.038 -1.681 8.416 427 2HD LYS 58 2HD LYS 58 -15.852 -1.559 9.975 428 1HE LYS 58 1HE LYS 58 -13.667 -1.060 11.059 429 2HE LYS 58 2HE LYS 58 -12.881 -1.135 9.472 430 1HZ LYS 58 1HZ LYS 58 -14.667 0.505 8.754 431 2HZ LYS 58 2HZ LYS 58 -14.970 0.751 10.404 432 3HZ LYS 58 3HZ LYS 58 -13.441 1.115 9.760 433 H VAL 59 H VAL 59 -18.671 -4.174 10.236 434 HA VAL 59 HA VAL 59 -19.920 -4.747 7.575 435 HB VAL 59 HB VAL 59 -20.381 -6.598 9.111 436 1HG1 VAL 59 1HG1 VAL 59 -20.691 -4.368 10.998 437 2HG1 VAL 59 2HG1 VAL 59 -21.972 -5.574 11.123 438 3HG1 VAL 59 3HG1 VAL 59 -20.286 -6.055 11.311 439 1HG2 VAL 59 1HG2 VAL 59 -22.270 -5.174 7.729 440 2HG2 VAL 59 2HG2 VAL 59 -22.582 -6.708 8.544 441 3HG2 VAL 59 3HG2 VAL 59 -22.963 -5.186 9.351 442 H ILE 60 H ILE 60 -21.618 -3.292 7.029 443 HA ILE 60 HA ILE 60 -22.173 -1.090 8.981 444 HB ILE 60 HB ILE 60 -20.404 -0.412 7.410 445 1HG1 ILE 60 2HG1 ILE 60 -23.001 0.847 7.640 446 2HG1 ILE 60 1HG1 ILE 60 -22.277 1.222 6.077 447 1HG2 ILE 60 1HG2 ILE 60 -22.032 -1.916 5.578 448 2HG2 ILE 60 2HG2 ILE 60 -21.837 -0.275 4.963 449 3HG2 ILE 60 3HG2 ILE 60 -20.417 -1.255 5.324 450 1HD1 ILE 60 1HD1 ILE 60 -20.157 1.452 7.880 451 2HD1 ILE 60 2HD1 ILE 60 -21.053 2.786 7.154 452 3HD1 ILE 60 3HD1 ILE 60 -21.526 2.163 8.734 453 H ALA 61 H ALA 61 -23.960 -3.181 8.593 454 HA ALA 61 HA ALA 61 -26.094 -1.895 6.920 455 1HB ALA 61 2HB ALA 61 -26.650 -4.605 6.967 456 2HB ALA 61 3HB ALA 61 -25.833 -3.763 5.650 457 3HB ALA 61 1HB ALA 61 -24.888 -4.574 6.899 458 H GLY 62 H GLY 62 -25.364 -1.984 9.938 459 1HA GLY 62 1HA GLY 62 -27.859 -1.762 11.092 460 2HA GLY 62 2HA GLY 62 -27.544 -3.497 11.150 461 H PHE 63 H PHE 63 -27.479 -0.993 13.124 462 HA PHE 63 HA PHE 63 -24.886 -1.755 14.428 463 1HB PHE 63 1HB PHE 63 -26.243 0.759 13.809 464 2HB PHE 63 2HB PHE 63 -25.791 0.651 15.511 465 HD1 PHE 63 HD1 PHE 63 -24.291 -0.359 12.215 466 HD2 PHE 63 HD2 PHE 63 -23.707 1.542 16.022 467 HE1 PHE 63 HE1 PHE 63 -21.932 0.109 11.618 468 HE2 PHE 63 HE2 PHE 63 -21.345 2.011 15.425 469 HZ PHE 63 HZ PHE 63 -20.458 1.295 13.222 470 H ALA 64 H ALA 64 -24.991 -2.493 16.544 471 HA ALA 64 HA ALA 64 -27.695 -2.503 17.851 472 1HB ALA 64 3HB ALA 64 -27.177 -4.722 17.162 473 2HB ALA 64 2HB ALA 64 -26.741 -4.679 18.871 474 3HB ALA 64 1HB ALA 64 -25.487 -4.556 17.637 475 H GLU 65 H GLU 65 -25.142 -0.715 18.071 476 HA GLU 65 HA GLU 65 -24.994 -0.852 21.059 477 1HB GLU 65 2HB GLU 65 -23.038 -1.955 20.004 478 2HB GLU 65 1HB GLU 65 -22.560 -0.490 20.861 479 1HG GLU 65 1HG GLU 65 -23.275 0.286 18.222 480 2HG GLU 65 2HG GLU 65 -21.672 0.307 18.955 481 H ASN 66 H ASN 66 -26.208 0.955 18.767 482 HA ASN 66 HA ASN 66 -25.689 3.486 20.170 483 1HB ASN 66 1HB ASN 66 -24.300 2.656 17.731 484 2HB ASN 66 2HB ASN 66 -25.142 4.192 17.529 485 2HD2 ASN 66 2HD2 ASN 66 -22.465 2.602 19.149 486 1HD2 ASN 66 1HD2 ASN 66 -21.847 3.990 19.907 487 H GLN 67 H GLN 67 -27.037 1.972 17.224 488 HA GLN 67 HA GLN 67 -29.429 3.762 17.520 489 1HB GLN 67 1HB GLN 67 -27.605 3.372 15.398 490 2HB GLN 67 2HB GLN 67 -29.092 2.564 14.904 491 1HG GLN 67 1HG GLN 67 -29.932 4.587 14.372 492 2HG GLN 67 2HG GLN 67 -29.906 4.989 16.088 493 2HE2 GLN 67 2HE2 GLN 67 -29.175 7.176 15.905 494 1HE2 GLN 67 1HE2 GLN 67 -27.661 7.594 15.262 495 H LYS 68 H LYS 68 -31.266 2.525 16.014 496 HA LYS 68 HA LYS 68 -31.316 -0.375 16.322 497 1HB LYS 68 1HB LYS 68 -32.050 1.340 18.508 498 2HB LYS 68 2HB LYS 68 -33.494 0.502 17.941 499 1HG LYS 68 1HG LYS 68 -31.000 -1.111 18.222 500 2HG LYS 68 2HG LYS 68 -31.813 -0.614 19.706 501 1HD LYS 68 1HD LYS 68 -33.963 -1.456 18.352 502 2HD LYS 68 2HD LYS 68 -32.752 -2.457 17.553 503 1HE LYS 68 2HE LYS 68 -31.984 -2.880 20.092 504 2HE LYS 68 1HE LYS 68 -33.287 -3.834 19.358 505 1HZ LYS 68 1HZ LYS 68 -33.714 -1.250 20.768 506 2HZ LYS 68 2HZ LYS 68 -34.905 -2.328 20.224 507 3HZ LYS 68 3HZ LYS 68 -33.894 -2.765 21.518 508 H TYR 69 H TYR 69 -33.838 -1.042 16.068 509 HA TYR 69 HA TYR 69 -34.970 0.734 13.928 510 1HB TYR 69 1HB TYR 69 -33.925 -1.740 13.624 511 2HB TYR 69 2HB TYR 69 -35.585 -2.178 14.026 512 HD1 TYR 69 HD1 TYR 69 -33.498 -0.140 11.710 513 HD2 TYR 69 HD2 TYR 69 -37.355 -1.875 12.461 514 HE1 TYR 69 HE1 TYR 69 -34.208 0.441 9.407 515 HE2 TYR 69 HE2 TYR 69 -38.066 -1.293 10.157 516 HH TYR 69 HH TYR 69 -35.958 0.575 7.995 517 H GLY 70 H GLY 70 -36.749 1.730 14.818 518 1HA GLY 70 1HA GLY 70 -38.415 0.212 16.759 519 2HA GLY 70 2HA GLY 70 -38.475 1.957 16.509 No H/Q in entry = 519
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